#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 4zyo_min 4890 4975 301 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 5.8820 78.8000 59.5650 N.4 1 ASP1 -0.0636 2 H1 5.0800 79.4040 59.3090 H 1 ASP1 0.2751 3 H2 5.5660 77.8310 59.8220 H 1 ASP1 0.2751 4 H3 6.5470 78.6700 58.7770 H 1 ASP1 0.2751 5 CA 6.5980 79.3260 60.7180 C.3 1 ASP1 0.2025 6 HA 5.8880 79.3090 61.5470 H 1 ASP1 0.0696 7 C 7.0070 80.7820 60.5280 C.2 1 ASP1 0.2320 8 O 6.3020 81.5680 59.8940 O.2 1 ASP1 -0.2773 9 CB 7.7880 78.4120 61.1000 C.3 1 ASP1 0.0700 10 HB1 7.9770 78.3900 62.1740 H 1 ASP1 0.0399 11 HB2 8.7150 78.6720 60.5860 H 1 ASP1 0.0399 12 CG 7.3590 77.0410 60.6230 C.2 1 ASP1 0.1785 13 OD1 6.2770 76.6290 61.0170 O.co2 1 ASP1 -0.6478 14 OD2 8.0550 76.4630 59.8180 O.co2 1 ASP1 -0.6478 15 N 8.1620 81.1290 61.0820 N.am 2 ILE2 -0.2450 16 H 8.7520 80.4060 61.4930 H 2 ILE2 0.1312 17 CA 8.6080 82.5110 61.1180 C.3 2 ILE2 0.0904 18 HA 7.8460 83.1490 60.6650 H 2 ILE2 0.0560 19 C 9.8560 82.7250 60.2840 C.2 2 ILE2 0.2189 20 O 10.4250 81.7830 59.7340 O.2 2 ILE2 -0.2778 21 CB 8.7890 82.9520 62.5930 C.3 2 ILE2 -0.0201 22 HB 9.1980 83.9640 62.6070 H 2 ILE2 0.0318 23 CG1 9.7340 82.0570 63.4280 C.3 2 ILE2 -0.0514 24 HG11 9.3940 81.0220 63.4240 H 2 ILE2 0.0266 25 HG12 9.6710 82.3790 64.4690 H 2 ILE2 0.0266 26 CG2 7.4190 83.0420 63.2840 C.3 2 ILE2 -0.0605 27 HG21 7.5160 83.4440 64.2930 H 2 ILE2 0.0233 28 HG22 6.9450 82.0630 63.3640 H 2 ILE2 0.0233 29 HG23 6.7420 83.6970 62.7350 H 2 ILE2 0.0233 30 CD1 11.2120 82.1200 63.0240 C.3 2 ILE2 -0.0650 31 HD11 11.8370 81.6530 63.7850 H 2 ILE2 0.0230 32 HD12 11.5500 83.1510 62.9090 H 2 ILE2 0.0230 33 HD13 11.4030 81.5910 62.0920 H 2 ILE2 0.0230 34 N 10.2790 83.9790 60.2010 N.am 3 TYR3 -0.2453 35 H 9.6900 84.7290 60.5640 H 3 TYR3 0.1312 36 CA 11.5600 84.3090 59.6050 C.3 3 TYR3 0.0917 37 HA 12.2690 83.5340 59.9060 H 3 TYR3 0.0560 38 C 12.0630 85.6150 60.1920 C.2 3 TYR3 0.2190 39 O 11.2860 86.4100 60.7190 O.2 3 TYR3 -0.2778 40 CB 11.4770 84.3710 58.0710 C.3 3 TYR3 -0.0036 41 HB1 11.2060 83.3900 57.6820 H 3 TYR3 0.0333 42 HB2 12.4620 84.5940 57.6640 H 3 TYR3 0.0333 43 CG 10.4970 85.3930 57.5530 C.ar 3 TYR3 -0.0453 44 CD1 10.8870 86.7160 57.3570 C.ar 3 TYR3 -0.0561 45 HD1 11.8900 87.0330 57.6070 H 3 TYR3 0.0621 46 CD2 9.2030 85.0130 57.2070 C.ar 3 TYR3 -0.0561 47 HD2 8.8890 83.9870 57.3350 H 3 TYR3 0.0621 48 CE1 9.9940 87.6470 56.8430 C.ar 3 TYR3 -0.0317 49 HE1 10.3010 88.6730 56.6990 H 3 TYR3 0.0643 50 CE2 8.3130 85.9390 56.6790 C.ar 3 TYR3 -0.0317 51 HE2 7.3140 85.6380 56.4030 H 3 TYR3 0.0643 52 CZ 8.7080 87.2570 56.5000 C.ar 3 TYR3 0.0726 53 OH 7.8240 88.1770 55.9760 O.3 3 TYR3 -0.3598 54 HH 7.0650 87.7340 55.6210 H 3 TYR3 0.2173 55 N 13.3680 85.8310 60.0990 N.am 4 ASP4 -0.2451 56 H 13.9630 85.1180 59.6780 H 4 ASP4 0.1312 57 CA 13.9690 87.0610 60.5840 C.3 4 ASP4 0.0977 58 HA 13.3730 87.4750 61.3930 H 4 ASP4 0.0563 59 C 14.1870 88.0180 59.4190 C.2 4 ASP4 0.2219 60 O 15.0080 87.7550 58.5420 O.2 4 ASP4 -0.2776 61 CB 15.3360 86.6900 61.2120 C.3 4 ASP4 0.0576 62 HB1 15.8950 86.0560 60.5260 H 4 ASP4 0.0394 63 HB2 15.1750 86.0950 62.1090 H 4 ASP4 0.0394 64 CG 16.2480 87.8780 61.6100 C.2 4 ASP4 0.1780 65 OD1 17.4260 87.6620 61.8760 O.co2 4 ASP4 -0.6478 66 OD2 15.7950 89.0120 61.6470 O.co2 4 ASP4 -0.6478 67 N 13.4420 89.1350 59.4060 N.am 5 PRO5 -0.2316 68 CA 13.4680 90.1560 58.3510 C.3 5 PRO5 0.0907 69 HA 13.0650 89.6880 57.4550 H 5 PRO5 0.0559 70 C 14.8520 90.7350 58.0510 C.2 5 PRO5 0.2190 71 O 14.9880 91.4790 57.0850 O.2 5 PRO5 -0.2778 72 CB 12.5460 91.2750 58.8480 C.3 5 PRO5 -0.0276 73 HB1 12.0090 91.7640 58.0340 H 5 PRO5 0.0285 74 HB2 13.1100 92.0480 59.3740 H 5 PRO5 0.0285 75 CG 11.6250 90.5940 59.8430 C.3 5 PRO5 -0.0379 76 HG1 10.7830 90.1530 59.3080 H 5 PRO5 0.0278 77 HG2 11.2260 91.2820 60.5900 H 5 PRO5 0.0278 78 CD 12.4770 89.4850 60.4550 C.3 5 PRO5 0.0071 79 HD1 13.0490 89.8240 61.3210 H 5 PRO5 0.0431 80 HD2 11.8410 88.6450 60.7110 H 5 PRO5 0.0431 81 N 15.8570 90.4120 58.8580 N.am 6 THR6 -0.2434 82 H 15.6720 89.8770 59.7060 H 6 THR6 0.1313 83 CA 17.2220 90.8160 58.5420 C.3 6 THR6 0.1135 84 HA 17.1420 91.8150 58.1090 H 6 THR6 0.0583 85 C 17.7790 89.9250 57.4300 C.2 6 THR6 0.2212 86 O 18.7610 90.2730 56.7690 O.2 6 THR6 -0.2777 87 CB 18.0880 90.9720 59.8030 C.3 6 THR6 0.0763 88 HB 18.9580 91.5580 59.5140 H 6 THR6 0.0611 89 OG1 18.5880 89.7470 60.2920 O.3 6 THR6 -0.3900 90 HG1 17.8530 89.2690 60.6970 H 6 THR6 0.2098 91 CG2 17.4030 91.7990 60.9050 C.3 6 THR6 -0.0370 92 HG21 18.0520 91.9040 61.7740 H 6 THR6 0.0255 93 HG22 16.4690 91.3580 61.2480 H 6 THR6 0.0255 94 HG23 17.1660 92.8000 60.5440 H 6 THR6 0.0255 95 N 17.1390 88.7770 57.2280 N.am 7 TYR7 -0.2453 96 H 16.3440 88.5420 57.8230 H 7 TYR7 0.1312 97 CA 17.5380 87.8420 56.1810 C.3 7 TYR7 0.0917 98 HA 18.4980 88.1480 55.7620 H 7 TYR7 0.0560 99 C 16.5400 87.8520 55.0300 C.2 7 TYR7 0.2190 100 O 16.4260 86.8790 54.2840 O.2 7 TYR7 -0.2778 101 CB 17.6780 86.4340 56.7930 C.3 7 TYR7 -0.0036 102 HB1 17.8540 85.6890 56.0160 H 7 TYR7 0.0333 103 HB2 16.7560 86.1450 57.3000 H 7 TYR7 0.0333 104 CG 18.8290 86.3830 57.7660 C.ar 7 TYR7 -0.0453 105 CD1 20.1200 86.1400 57.3190 C.ar 7 TYR7 -0.0561 106 HD1 20.2700 85.9000 56.2850 H 7 TYR7 0.0621 107 CD2 18.6320 86.6360 59.1150 C.ar 7 TYR7 -0.0561 108 HD2 17.6340 86.8270 59.4760 H 7 TYR7 0.0621 109 CE1 21.2080 86.2620 58.1710 C.ar 7 TYR7 -0.0317 110 HE1 22.2130 86.1480 57.7960 H 7 TYR7 0.0643 111 CE2 19.7110 86.7110 59.9850 C.ar 7 TYR7 -0.0317 112 HE2 19.5540 86.9450 61.0270 H 7 TYR7 0.0643 113 CZ 21.0010 86.5760 59.5030 C.ar 7 TYR7 0.0726 114 OH 22.0670 86.8880 60.3190 O.3 7 TYR7 -0.3598 115 HH 21.9840 86.3800 61.1210 H 7 TYR7 0.2173 116 N 15.8220 88.9630 54.9000 N.am 8 ALA8 -0.2459 117 H 15.9800 89.7280 55.5550 H 8 ALA8 0.1312 118 CA 14.8190 89.1300 53.8600 C.3 8 ALA8 0.0850 119 HA 15.0100 88.4150 53.0620 H 8 ALA8 0.0554 120 C 14.9080 90.5250 53.2640 C.2 8 ALA8 0.2184 121 O 14.8290 90.7000 52.0520 O.2 8 ALA8 -0.2778 122 CB 13.4290 88.9010 54.4650 C.3 8 ALA8 -0.0411 123 HB1 12.6520 88.9480 53.7020 H 8 ALA8 0.0249 124 HB2 13.1960 89.6540 55.2190 H 8 ALA8 0.0249 125 HB3 13.3680 87.9240 54.9440 H 8 ALA8 0.0249 126 N 15.0800 91.5180 54.1280 N.am 9 ASP9 -0.2451 127 H 15.1080 91.3100 55.1260 H 9 ASP9 0.1312 128 CA 15.2300 92.8960 53.6860 C.3 9 ASP9 0.0974 129 HA 14.4520 93.0910 52.9450 H 9 ASP9 0.0563 130 C 16.5920 93.0980 53.0320 C.2 9 ASP9 0.2192 131 O 17.5980 92.5540 53.4920 O.2 9 ASP9 -0.2778 132 CB 15.0690 93.8580 54.8760 C.3 9 ASP9 0.0576 133 HB1 15.3510 94.8700 54.5910 H 9 ASP9 0.0394 134 HB2 15.7170 93.5640 55.7000 H 9 ASP9 0.0394 135 CG 13.6280 93.9430 55.4040 C.2 9 ASP9 0.1780 136 OD1 12.7330 93.3240 54.8310 O.co2 9 ASP9 -0.6478 137 OD2 13.4220 94.6440 56.3910 O.co2 9 ASP9 -0.6478 138 N 16.6150 93.8890 51.9630 N.am 10 ALA10 -0.2459 139 H 15.7400 94.2960 51.6320 H 10 ALA10 0.1312 140 CA 17.8480 94.1940 51.2480 C.3 10 ALA10 0.0850 141 HA 18.6640 94.2680 51.9690 H 10 ALA10 0.0554 142 C 17.7190 95.4850 50.4480 C.2 10 ALA10 0.2184 143 O 16.7240 95.6970 49.7560 O.2 10 ALA10 -0.2778 144 CB 18.0990 93.1160 50.1700 C.3 10 ALA10 -0.0411 145 HB1 19.1530 92.8430 50.1190 H 10 ALA10 0.0249 146 HB2 17.7960 93.4030 49.1600 H 10 ALA10 0.0249 147 HB3 17.5120 92.2300 50.3760 H 10 ALA10 0.0249 148 N 18.7300 96.3430 50.5500 N.am 11 ALA11 -0.2459 149 H 19.4850 96.1450 51.2070 H 11 ALA11 0.1312 150 CA 18.7870 97.5590 49.7470 C.3 11 ALA11 0.0850 151 HA 17.8100 98.0430 49.8070 H 11 ALA11 0.0554 152 C 19.0630 97.2030 48.2910 C.2 11 ALA11 0.2182 153 O 18.4370 97.7370 47.3740 O.2 11 ALA11 -0.2778 154 CB 19.8750 98.4840 50.3050 C.3 11 ALA11 -0.0411 155 HB1 19.9340 99.4120 49.7350 H 11 ALA11 0.0249 156 HB2 20.8560 98.0090 50.2780 H 11 ALA11 0.0249 157 HB3 19.6620 98.7460 51.3410 H 11 ALA11 0.0249 158 N 20.0060 96.2880 48.0920 N.am 12 GLY12 -0.2485 159 H 20.5150 95.9190 48.8950 H 12 GLY12 0.1309 160 CA 20.3330 95.7980 46.7680 C.3 12 GLY12 0.0767 161 HA1 21.3810 95.5180 46.8340 H 12 GLY12 0.0521 162 HA2 20.2290 96.6050 46.0410 H 12 GLY12 0.0521 163 C 19.4620 94.6220 46.3710 C.2 12 GLY12 0.2182 164 O 18.2960 94.5500 46.7590 O.2 12 GLY12 -0.2779 165 N 20.0260 93.6900 45.5870 N.am 13 PRO13 -0.2318 166 CA 19.3190 92.5130 45.0800 C.3 13 PRO13 0.0907 167 HA 18.2413 92.6835 45.0652 H 13 PRO13 0.0559 168 C 19.6590 91.2190 45.8240 C.2 13 PRO13 0.2190 169 O 19.2230 90.1470 45.4050 O.2 13 PRO13 -0.2778 170 CB 19.9332 92.4236 43.6795 C.3 13 PRO13 -0.0276 171 HB1 19.4639 93.1701 43.0373 H 13 PRO13 0.0285 172 HB2 19.8064 91.4546 43.1946 H 13 PRO13 0.0285 173 CG 21.4033 92.7965 43.8957 C.3 13 PRO13 -0.0379 174 HG1 21.8653 93.1996 42.9942 H 13 PRO13 0.0278 175 HG2 21.9705 91.9133 44.1920 H 13 PRO13 0.0278 176 CD 21.3850 93.8075 45.0485 C.3 13 PRO13 0.0071 177 HD1 22.1036 93.5723 45.8357 H 13 PRO13 0.0431 178 HD2 21.5322 94.8230 44.6762 H 13 PRO13 0.0431 179 N 20.4250 91.3190 46.9050 N.am 14 SER14 -0.2436 180 H 20.7630 92.2370 47.1940 H 14 SER14 0.1312 181 CA 20.7940 90.1450 47.6880 C.3 14 SER14 0.1111 182 HA 20.0820 89.3410 47.5060 H 14 SER14 0.0580 183 C 20.8600 90.4590 49.1810 C.2 14 SER14 0.2236 184 O 21.6790 91.2700 49.6170 O.2 14 SER14 -0.2775 185 CB 22.1910 89.7150 47.2080 C.3 14 SER14 0.0681 186 HB1 22.0910 89.2770 46.2090 H 14 SER14 0.0577 187 HB2 22.5990 88.9590 47.8840 H 14 SER14 0.0577 188 OG 23.0720 90.8270 47.1440 O.3 14 SER14 -0.3930 189 HG 23.9470 90.5850 46.8490 H 14 SER14 0.2095 190 N 19.9850 89.8190 49.9700 N.am 15 PRO15 -0.2315 191 CA 19.9890 89.9580 51.4280 C.3 15 PRO15 0.0907 192 HA 20.0912 91.0200 51.6606 H 15 PRO15 0.0559 193 C 21.1230 89.1700 52.0760 C.2 15 PRO15 0.2189 194 O 21.8770 88.4930 51.3790 O.2 15 PRO15 -0.2778 195 CB 18.6287 89.4279 51.8933 C.3 15 PRO15 -0.0276 196 HB1 18.1372 90.1041 52.5945 H 15 PRO15 0.0285 197 HB2 18.7074 88.4567 52.3866 H 15 PRO15 0.0285 198 CG 17.8312 89.2669 50.6147 C.3 15 PRO15 -0.0379 199 HG1 17.2340 90.1569 50.4274 H 15 PRO15 0.0278 200 HG2 17.1529 88.4448 50.6784 H 15 PRO15 0.0278 201 CD 18.8375 89.0534 49.4967 C.3 15 PRO15 0.0071 202 HD1 19.1432 88.0136 49.3818 H 15 PRO15 0.0431 203 HD2 18.4168 89.4636 48.5776 H 15 PRO15 0.0431 204 N 21.2420 89.2690 53.3960 N.am 16 LYS16 -0.2456 205 H 20.6260 89.9010 53.9070 H 16 LYS16 0.1312 206 CA 22.2340 88.4940 54.1270 C.3 16 LYS16 0.0878 207 HA 23.2150 88.5610 53.6530 H 16 LYS16 0.0557 208 C 21.7440 87.0600 54.2970 C.2 16 LYS16 0.2187 209 O 20.5530 86.7830 54.1560 O.2 16 LYS16 -0.2778 210 CB 22.2130 88.8700 55.6440 C.3 16 LYS16 -0.0289 211 HB1 22.9190 88.2280 56.1790 H 16 LYS16 0.0285 212 HB2 21.2230 88.6230 56.0280 H 16 LYS16 0.0285 213 CG 22.4710 90.2890 56.1570 C.3 16 LYS16 -0.0496 214 HG1 21.7070 90.9750 55.7880 H 16 LYS16 0.0266 215 HG2 23.4280 90.6450 55.7750 H 16 LYS16 0.0266 216 CD 22.4950 90.2790 57.7150 C.3 16 LYS16 -0.0278 217 HD1 22.8440 91.2480 58.0750 H 16 LYS16 0.0282 218 HD2 23.2390 89.5540 58.0480 H 16 LYS16 0.0282 219 CE 21.1350 89.9550 58.3830 C.3 16 LYS16 0.1103 220 HE1 20.6150 89.1540 57.8650 H 16 LYS16 0.0559 221 HE2 20.5010 90.8350 58.2990 H 16 LYS16 0.0559 222 NZ 21.1530 89.5390 59.7920 N.4 16 LYS16 -0.0749 223 HZ1 20.1850 89.2760 60.0890 H 16 LYS16 0.2742 224 HZ2 21.4810 90.3070 60.4050 H 16 LYS16 0.2742 225 HZ3 21.7450 88.6900 59.9170 H 16 LYS16 0.2742 226 N 22.6660 86.1470 54.5850 N.am 17 VAL17 -0.2454 227 H 23.6360 86.4390 54.7030 H 17 VAL17 0.1312 228 CA 22.3230 84.7360 54.7360 C.3 17 VAL17 0.0901 229 HA 21.2470 84.6280 54.8770 H 17 VAL17 0.0560 230 C 22.9970 84.1130 55.9570 C.2 17 VAL17 0.2189 231 O 23.9420 84.6770 56.5070 O.2 17 VAL17 -0.2778 232 CB 22.7380 83.9870 53.4520 C.3 17 VAL17 -0.0227 233 HB 22.4910 82.9360 53.5980 H 17 VAL17 0.0315 234 CG1 21.9300 84.4530 52.2310 C.3 17 VAL17 -0.0608 235 HG11 22.1440 83.8270 51.3640 H 17 VAL17 0.0233 236 HG12 22.1640 85.4830 51.9630 H 17 VAL17 0.0233 237 HG13 20.8590 84.3920 52.4260 H 17 VAL17 0.0233 238 CG2 24.2490 84.0810 53.1730 C.3 17 VAL17 -0.0608 239 HG21 24.5040 83.5920 52.2360 H 17 VAL17 0.0233 240 HG22 24.8320 83.6030 53.9610 H 17 VAL17 0.0233 241 HG23 24.5830 85.1160 53.0940 H 17 VAL17 0.0233 242 N 22.5060 82.9520 56.3830 N.am 18 GLU18 -0.2456 243 H 21.6640 82.5730 55.9500 H 18 GLU18 0.1312 244 CA 23.1550 82.2130 57.4610 C.3 18 GLU18 0.0883 245 HA 23.8480 82.8730 57.9860 H 18 GLU18 0.0557 246 C 23.9640 81.0580 56.8870 C.2 18 GLU18 0.2187 247 O 23.3980 80.1290 56.3120 O.2 18 GLU18 -0.2778 248 CB 22.1420 81.7040 58.5050 C.3 18 GLU18 -0.0193 249 HB1 21.3670 81.2040 57.9520 H 18 GLU18 0.0290 250 HB2 21.6430 82.5490 58.9800 H 18 GLU18 0.0290 251 CG 22.7220 80.7700 59.6100 C.3 18 GLU18 0.0356 252 HG1 23.1620 81.3610 60.4110 H 18 GLU18 0.0374 253 HG2 23.5200 80.1370 59.2230 H 18 GLU18 0.0374 254 CD 21.6750 79.8160 60.2320 C.2 18 GLU18 0.1760 255 OE1 21.9610 78.6410 60.4540 O.co2 18 GLU18 -0.6478 256 OE2 20.5510 80.2210 60.4880 O.co2 18 GLU18 -0.6478 257 N 25.2830 81.1130 57.0430 N.am 19 TYR19 -0.2453 258 H 25.7000 81.9110 57.5220 H 19 TYR19 0.1312 259 CA 26.1430 80.0470 56.5390 C.3 19 TYR19 0.0917 260 HA 25.8700 79.8770 55.4950 H 19 TYR19 0.0560 261 C 25.9130 78.7640 57.3260 C.2 19 TYR19 0.2190 262 O 26.0110 78.7520 58.5540 O.2 19 TYR19 -0.2778 263 CB 27.6030 80.5050 56.6370 C.3 19 TYR19 -0.0036 264 HB1 28.2790 79.7310 56.2730 H 19 TYR19 0.0333 265 HB2 27.8660 80.6870 57.6780 H 19 TYR19 0.0333 266 CG 27.8230 81.7650 55.8420 C.ar 19 TYR19 -0.0453 267 CD1 27.9180 82.9970 56.4840 C.ar 19 TYR19 -0.0561 268 HD1 27.8730 83.0510 57.5620 H 19 TYR19 0.0621 269 CD2 27.8740 81.7190 54.4530 C.ar 19 TYR19 -0.0561 270 HD2 27.7890 80.7710 53.9420 H 19 TYR19 0.0621 271 CE1 28.0430 84.1670 55.7460 C.ar 19 TYR19 -0.0317 272 HE1 28.1080 85.1210 56.2470 H 19 TYR19 0.0643 273 CE2 28.0050 82.8890 53.7140 C.ar 19 TYR19 -0.0317 274 HE2 28.0320 82.8470 52.6360 H 19 TYR19 0.0643 275 CZ 28.0820 84.1140 54.3610 C.ar 19 TYR19 0.0726 276 OH 28.1910 85.2790 53.6320 O.3 19 TYR19 -0.3598 277 HH 28.5100 85.0800 52.7620 H 19 TYR19 0.2173 278 N 25.5960 77.6900 56.6120 N.am 20 VAL20 -0.2454 279 H 25.4220 77.7920 55.6120 H 20 VAL20 0.1312 280 CA 25.4910 76.3720 57.2190 C.3 20 VAL20 0.0901 281 HA 25.2060 76.4950 58.2670 H 20 VAL20 0.0560 282 C 26.8550 75.6960 57.1430 C.2 20 VAL20 0.2189 283 O 27.2500 75.1760 56.0990 O.2 20 VAL20 -0.2778 284 CB 24.3860 75.5780 56.4890 C.3 20 VAL20 -0.0227 285 HB 24.6730 75.4610 55.4420 H 20 VAL20 0.0315 286 CG1 24.1980 74.1750 57.0900 C.3 20 VAL20 -0.0608 287 HG11 23.3850 73.6450 56.5960 H 20 VAL20 0.0233 288 HG12 23.9570 74.2350 58.1520 H 20 VAL20 0.0233 289 HG13 25.0980 73.5700 56.9840 H 20 VAL20 0.0233 290 CG2 23.0540 76.3500 56.5140 C.3 20 VAL20 -0.0608 291 HG21 22.2520 75.7730 56.0590 H 20 VAL20 0.0233 292 HG22 23.1170 77.2910 55.9650 H 20 VAL20 0.0233 293 HG23 22.7510 76.5860 57.5350 H 20 VAL20 0.0233 294 N 27.5710 75.7130 58.2600 N.am 21 TRP21 -0.2453 295 H 27.1310 76.0210 59.1270 H 21 TRP21 0.1312 296 CA 28.9660 75.3040 58.2800 C.3 21 TRP21 0.0918 297 HA 29.4240 75.6720 57.3620 H 21 TRP21 0.0560 298 C 29.1500 73.7890 58.2620 C.2 21 TRP21 0.2190 299 O 30.2280 73.3030 57.9270 O.2 21 TRP21 -0.2778 300 CB 29.6800 75.9340 59.4840 C.3 21 TRP21 -0.0021 301 HB1 30.6470 75.4600 59.6620 H 21 TRP21 0.0334 302 HB2 29.0940 75.8210 60.3960 H 21 TRP21 0.0334 303 CG 29.9190 77.3990 59.1950 C.ar 21 TRP21 -0.0260 304 CD1 29.1540 78.4770 59.6510 C.ar 21 TRP21 -0.0136 305 HD1 28.2840 78.4060 60.2880 H 21 TRP21 0.0748 306 CD2 30.9510 77.9530 58.3540 C.ar 21 TRP21 -0.0028 307 NE1 29.6720 79.6270 59.1550 N.ar 21 TRP21 -0.2641 308 HE1 29.3140 80.5230 59.3300 H 21 TRP21 0.1331 309 CE2 30.7630 79.3540 58.3400 C.ar 21 TRP21 0.0269 310 CE3 31.9680 77.3880 57.6310 C.ar 21 TRP21 -0.0528 311 HE3 32.1050 76.3160 57.6390 H 21 TRP21 0.0624 312 CZ2 31.5960 80.1480 57.6000 C.ar 21 TRP21 -0.0430 313 HZ2 31.4450 81.2170 57.5900 H 21 TRP21 0.0633 314 CZ3 32.8230 78.1960 56.8820 C.ar 21 TRP21 -0.0611 315 HZ3 33.6260 77.7510 56.3120 H 21 TRP21 0.0618 316 CH2 32.6340 79.5780 56.8630 C.ar 21 TRP21 -0.0602 317 HH2 33.2920 80.2060 56.2800 H 21 TRP21 0.0618 318 N 28.1030 73.0460 58.6140 N.am 22 ARG22 -0.2456 319 H 27.2660 73.5010 58.9780 H 22 ARG22 0.1312 320 CA 28.1300 71.5900 58.4880 C.3 22 ARG22 0.0879 321 HA 28.9580 71.1800 59.0690 H 22 ARG22 0.0557 322 C 28.2450 71.2230 57.0200 C.2 22 ARG22 0.2187 323 O 28.9820 70.3130 56.6460 O.2 22 ARG22 -0.2778 324 CB 26.7250 71.1740 58.9990 C.3 22 ARG22 -0.0258 325 HB1 25.9870 71.8060 58.5000 H 22 ARG22 0.0286 326 HB2 26.6450 71.4310 60.0560 H 22 ARG22 0.0286 327 CG 26.2840 69.7090 58.8100 C.3 22 ARG22 -0.0154 328 HG1 26.7930 69.0920 59.5530 H 22 ARG22 0.0299 329 HG2 26.5970 69.3240 57.8400 H 22 ARG22 0.0299 330 CD 24.7530 69.5370 58.9400 C.3 22 ARG22 0.1045 331 HD1 24.3580 70.1350 59.7650 H 22 ARG22 0.0711 332 HD2 24.5000 68.4900 59.1190 H 22 ARG22 0.0711 333 NE 24.0920 69.9240 57.6870 N.pl3 22 ARG22 -0.4450 334 HE 24.6290 69.9290 56.8430 H 22 ARG22 0.3153 335 CZ 22.8140 70.2740 57.5030 C.cat 22 ARG22 0.5062 336 NH1 21.9630 70.3610 58.4880 N.pl3 22 ARG22 -0.4573 337 HH11 21.0180 70.6230 58.2880 H 22 ARG22 0.3114 338 HH12 22.2480 70.1710 59.4210 H 22 ARG22 0.3114 339 NH2 22.3990 70.5390 56.2950 N.pl3 22 ARG22 -0.4573 340 HH21 21.4520 70.8100 56.1020 H 22 ARG22 0.3114 341 HH22 23.0390 70.4770 55.5290 H 22 ARG22 0.3114 342 N 27.5120 71.9600 56.1920 N.am 23 ASN23 -0.2452 343 H 26.9480 72.7190 56.5760 H 23 ASN23 0.1312 344 CA 27.4860 71.7220 54.7580 C.3 23 ASN23 0.0957 345 HA 27.4240 70.6440 54.5930 H 23 ASN23 0.0562 346 C 28.7520 72.2200 54.0670 C.2 23 ASN23 0.2191 347 O 29.2700 71.5620 53.1660 O.2 23 ASN23 -0.2778 348 CB 26.2970 72.4500 54.1000 C.3 23 ASN23 0.0446 349 HB1 26.3540 72.3880 53.0120 H 23 ASN23 0.0375 350 HB2 26.2910 73.5090 54.3600 H 23 ASN23 0.0375 351 CG 24.9610 71.8310 54.5130 C.2 23 ASN23 0.2000 352 OD1 24.9030 70.7880 55.1500 O.2 23 ASN23 -0.2797 353 ND2 23.8940 72.5320 54.1110 N.am 23 ASN23 -0.2723 354 HD21 22.9570 72.2410 54.3030 H 23 ASN23 0.1266 355 HD22 24.0050 73.3780 53.5870 H 23 ASN23 0.1266 356 N 29.2490 73.3780 54.4930 N.am 24 ILE24 -0.2454 357 H 28.7760 73.8750 55.2480 H 24 ILE24 0.1312 358 CA 30.4560 73.9550 53.9050 C.3 24 ILE24 0.0903 359 HA 30.2860 74.0240 52.8300 H 24 ILE24 0.0560 360 C 31.6610 73.0300 54.0760 C.2 24 ILE24 0.2189 361 O 32.4250 72.8140 53.1370 O.2 24 ILE24 -0.2778 362 CB 30.6800 75.3750 54.4710 C.3 24 ILE24 -0.0201 363 HB 30.6770 75.3040 55.5590 H 24 ILE24 0.0318 364 CG1 29.5350 76.3140 54.0330 C.3 24 ILE24 -0.0514 365 HG11 28.5740 75.8050 54.0910 H 24 ILE24 0.0266 366 HG12 29.6700 76.5660 52.9810 H 24 ILE24 0.0266 367 CG2 32.0370 75.9590 54.0370 C.3 24 ILE24 -0.0605 368 HG21 32.1580 76.9880 54.3730 H 24 ILE24 0.0233 369 HG22 32.1360 75.9550 52.9510 H 24 ILE24 0.0233 370 HG23 32.8710 75.3910 54.4500 H 24 ILE24 0.0233 371 CD1 29.4240 77.6030 54.8550 C.3 24 ILE24 -0.0650 372 HD11 28.5960 78.2130 54.4920 H 24 ILE24 0.0230 373 HD12 30.3290 78.2060 54.7920 H 24 ILE24 0.0230 374 HD13 29.2340 77.3880 55.9050 H 24 ILE24 0.0230 375 N 31.8190 72.4770 55.2730 N.am 25 ILE25 -0.2454 376 H 31.1520 72.6910 56.0150 H 25 ILE25 0.1312 377 CA 32.9260 71.5710 55.5470 C.3 25 ILE25 0.0903 378 HA 33.8370 72.0560 55.1910 H 25 ILE25 0.0560 379 C 32.7710 70.2630 54.7790 C.2 25 ILE25 0.2189 380 O 33.7150 69.7990 54.1390 O.2 25 ILE25 -0.2778 381 CB 33.0230 71.3470 57.0740 C.3 25 ILE25 -0.0201 382 HB 32.0510 70.9840 57.4150 H 25 ILE25 0.0318 383 CG1 33.3200 72.6730 57.8070 C.3 25 ILE25 -0.0514 384 HG11 32.6880 73.4740 57.4240 H 25 ILE25 0.0266 385 HG12 34.3440 72.9850 57.6020 H 25 ILE25 0.0266 386 CG2 34.0790 70.2850 57.4380 C.3 25 ILE25 -0.0605 387 HG21 34.1310 70.1230 58.5140 H 25 ILE25 0.0233 388 HG22 35.0710 70.5860 57.0990 H 25 ILE25 0.0233 389 HG23 33.8550 69.3170 56.9890 H 25 ILE25 0.0233 390 CD1 33.0970 72.5970 59.3230 C.3 25 ILE25 -0.0650 391 HD11 33.2420 73.5750 59.7820 H 25 ILE25 0.0230 392 HD12 33.7910 71.9060 59.7990 H 25 ILE25 0.0230 393 HD13 32.0830 72.2710 59.5540 H 25 ILE25 0.0230 394 N 31.5780 69.6790 54.8360 N.am 26 LEU26 -0.2456 395 H 30.8300 70.1240 55.3670 H 26 LEU26 0.1312 396 CA 31.3160 68.4150 54.1550 C.3 26 LEU26 0.0880 397 HA 32.0820 67.7120 54.4830 H 26 LEU26 0.0557 398 C 31.4490 68.5370 52.6330 C.2 26 LEU26 0.2187 399 O 32.0550 67.6770 51.9940 O.2 26 LEU26 -0.2778 400 CB 29.9150 67.9020 54.5280 C.3 26 LEU26 -0.0266 401 HB1 29.6330 67.0730 53.8770 H 26 LEU26 0.0287 402 HB2 29.1920 68.6960 54.3330 H 26 LEU26 0.0287 403 CG 29.7870 67.4360 55.9910 C.3 26 LEU26 -0.0449 404 HG 30.1810 68.2140 56.6440 H 26 LEU26 0.0296 405 CD1 28.3120 67.2200 56.3550 C.3 26 LEU26 -0.0626 406 HD11 28.2020 66.9670 57.4100 H 26 LEU26 0.0232 407 HD12 27.8790 66.4090 55.7690 H 26 LEU26 0.0232 408 HD13 27.7230 68.1170 56.1640 H 26 LEU26 0.0232 409 CD2 30.5940 66.1580 56.2600 C.3 26 LEU26 -0.0626 410 HD21 30.4580 65.8210 57.2880 H 26 LEU26 0.0232 411 HD22 31.6620 66.3140 56.1130 H 26 LEU26 0.0232 412 HD23 30.2800 65.3470 55.6020 H 26 LEU26 0.0232 413 N 30.8920 69.6000 52.0560 N.am 27 MET27 -0.2456 414 H 30.3650 70.2630 52.6240 H 27 MET27 0.1312 415 CA 31.0270 69.8280 50.6200 C.3 27 MET27 0.0886 416 HA 30.6900 68.9210 50.1150 H 27 MET27 0.0557 417 C 32.4870 70.0440 50.2330 C.2 27 MET27 0.2188 418 O 32.9540 69.5000 49.2320 O.2 27 MET27 -0.2778 419 CB 30.1640 71.0250 50.1830 C.3 27 MET27 -0.0199 420 HB1 30.4410 71.3370 49.1750 H 27 MET27 0.0293 421 HB2 30.3720 71.8790 50.8310 H 27 MET27 0.0293 422 CG 28.6590 70.7200 50.1880 C.3 27 MET27 -0.0047 423 HG1 28.1140 71.6400 49.9800 H 27 MET27 0.0377 424 HG2 28.3220 70.3620 51.1600 H 27 MET27 0.0377 425 SD 28.2270 69.5100 48.9210 S.3 27 MET27 -0.1641 426 CE 26.5240 70.0190 48.6130 C.3 27 MET27 -0.0181 427 HE1 25.9940 69.2530 48.0460 H 27 MET27 0.0340 428 HE2 26.5000 70.9630 48.0680 H 27 MET27 0.0340 429 HE3 25.9980 70.1620 49.5570 H 27 MET27 0.0340 430 N 33.2050 70.8280 51.0320 N.am 28 SER28 -0.2436 431 H 32.7490 71.2850 51.8220 H 28 SER28 0.1312 432 CA 34.6290 71.0490 50.8050 C.3 28 SER28 0.1109 433 HA 34.7350 71.4580 49.7990 H 28 SER28 0.0580 434 C 35.4000 69.7390 50.8670 C.2 28 SER28 0.2209 435 O 36.2850 69.4890 50.0500 O.2 28 SER28 -0.2777 436 CB 35.1780 72.0450 51.8350 C.3 28 SER28 0.0681 437 HB1 36.2710 72.0800 51.7750 H 28 SER28 0.0577 438 HB2 34.9050 71.7120 52.8440 H 28 SER28 0.0577 439 OG 34.6590 73.3400 51.5610 O.3 28 SER28 -0.3930 440 HG 34.8520 73.9500 52.2680 H 28 SER28 0.2095 441 N 35.0530 68.9040 51.8400 N.am 29 LEU29 -0.2456 442 H 34.2770 69.1510 52.4540 H 29 LEU29 0.1312 443 CA 35.7520 67.6440 52.0530 C.3 29 LEU29 0.0880 444 HA 36.8210 67.8470 51.9720 H 29 LEU29 0.0557 445 C 35.4300 66.6180 50.9700 C.2 29 LEU29 0.2187 446 O 36.2580 65.7650 50.6520 O.2 29 LEU29 -0.2778 447 CB 35.4320 67.1070 53.4630 C.3 29 LEU29 -0.0266 448 HB1 35.3700 66.0180 53.4430 H 29 LEU29 0.0287 449 HB2 34.4430 67.4430 53.7740 H 29 LEU29 0.0287 450 CG 36.4900 67.4790 54.5220 C.3 29 LEU29 -0.0449 451 HG 37.4320 67.0240 54.2120 H 29 LEU29 0.0296 452 CD1 36.7380 68.9900 54.6500 C.3 29 LEU29 -0.0626 453 HD11 37.5670 69.1860 55.3300 H 29 LEU29 0.0232 454 HD12 35.8700 69.5060 55.0520 H 29 LEU29 0.0232 455 HD13 36.9930 69.4470 53.6940 H 29 LEU29 0.0232 456 CD2 36.1170 66.8860 55.8860 C.3 29 LEU29 -0.0626 457 HD21 36.8840 67.0970 56.6310 H 29 LEU29 0.0232 458 HD22 36.0010 65.8040 55.8270 H 29 LEU29 0.0232 459 HD23 35.1760 67.3020 56.2490 H 29 LEU29 0.0232 460 N 34.2300 66.7020 50.4040 N.am 30 LEU30 -0.2456 461 H 33.5660 67.4010 50.7380 H 30 LEU30 0.1312 462 CA 33.8470 65.8120 49.3140 C.3 30 LEU30 0.0880 463 HA 34.0870 64.7930 49.6170 H 30 LEU30 0.0557 464 C 34.6290 66.1450 48.0490 C.2 30 LEU30 0.2187 465 O 35.0570 65.2540 47.3150 O.2 30 LEU30 -0.2778 466 CB 32.3350 65.9570 49.0570 C.3 30 LEU30 -0.0266 467 HB1 32.0990 67.0150 48.9270 H 30 LEU30 0.0287 468 HB2 31.7930 65.6440 49.9500 H 30 LEU30 0.0287 469 CG 31.8040 65.1790 47.8320 C.3 30 LEU30 -0.0449 470 HG 32.3210 65.5330 46.9400 H 30 LEU30 0.0296 471 CD1 32.0560 63.6680 47.9420 C.3 30 LEU30 -0.0626 472 HD11 31.6820 63.1460 47.0610 H 30 LEU30 0.0232 473 HD12 31.5630 63.2460 48.8180 H 30 LEU30 0.0232 474 HD13 33.1200 63.4460 48.0140 H 30 LEU30 0.0232 475 CD2 30.3150 65.4660 47.6130 C.3 30 LEU30 -0.0626 476 HD21 29.9410 64.9290 46.7410 H 30 LEU30 0.0232 477 HD22 30.1400 66.5300 47.4470 H 30 LEU30 0.0232 478 HD23 29.7230 65.1620 48.4760 H 30 LEU30 0.0232 479 N 34.8160 67.4370 47.8060 N.am 31 HIS31 -0.2453 480 H 34.4820 68.1230 48.4830 H 31 HIS31 0.1312 481 CA 35.4850 67.9020 46.5980 C.3 31 HIS31 0.0932 482 HA 35.1550 67.2660 45.7750 H 31 HIS31 0.0561 483 C 37.0000 67.7700 46.6800 C.2 31 HIS31 0.2190 484 O 37.6440 67.4180 45.6930 O.2 31 HIS31 -0.2778 485 CB 35.0710 69.3560 46.3170 C.3 31 HIS31 0.0146 486 HB1 35.5550 69.7260 45.4120 H 31 HIS31 0.0348 487 HB2 35.3820 70.0040 47.1380 H 31 HIS31 0.0348 488 CG 33.5680 69.4850 46.1410 C.ar 31 HIS31 0.0551 489 ND1 32.8950 70.6340 46.3670 N.ar 31 HIS31 -0.2469 490 CD2 32.6360 68.5120 45.7300 C.ar 31 HIS31 0.0047 491 HD2 32.8490 67.4850 45.4740 H 31 HIS31 0.0764 492 CE1 31.5990 70.3610 46.1420 C.ar 31 HIS31 0.0737 493 HE1 30.8030 71.0820 46.2680 H 31 HIS31 0.0963 494 NE2 31.4120 69.0900 45.7450 N.ar 31 HIS31 -0.2539 495 HE2 30.5560 68.6640 45.5290 H 31 HIS31 0.1339 496 N 37.5700 68.0620 47.8450 N.am 32 LEU32 -0.2456 497 H 37.0010 68.4310 48.6070 H 32 LEU32 0.1312 498 CA 39.0000 67.8610 48.0450 C.3 32 LEU32 0.0880 499 HA 39.5270 68.4330 47.2820 H 32 LEU32 0.0557 500 C 39.3340 66.3880 47.8450 C.2 32 LEU32 0.2185 501 O 40.3290 66.0480 47.2060 O.2 32 LEU32 -0.2778 502 CB 39.3810 68.3260 49.4610 C.3 32 LEU32 -0.0266 503 HB1 40.3790 67.9710 49.7220 H 32 LEU32 0.0287 504 HB2 38.7000 67.8560 50.1730 H 32 LEU32 0.0287 505 CG 39.3370 69.8550 49.6380 C.3 32 LEU32 -0.0449 506 HG 38.4230 70.2380 49.1840 H 32 LEU32 0.0296 507 CD1 39.2990 70.2290 51.1260 C.3 32 LEU32 -0.0626 508 HD11 39.2280 71.3090 51.2570 H 32 LEU32 0.0232 509 HD12 40.1960 69.8850 51.6410 H 32 LEU32 0.0232 510 HD13 38.4370 69.7810 51.6220 H 32 LEU32 0.0232 511 CD2 40.5190 70.5410 48.9400 C.3 32 LEU32 -0.0626 512 HD21 40.4790 71.6220 49.0770 H 32 LEU32 0.0232 513 HD22 40.5190 70.3500 47.8670 H 32 LEU32 0.0232 514 HD23 41.4700 70.1910 49.3410 H 32 LEU32 0.0232 515 N 38.4750 65.5210 48.3730 N.am 33 GLY33 -0.2485 516 H 37.6650 65.8760 48.8810 H 33 GLY33 0.1309 517 CA 38.6520 64.0840 48.2500 C.3 33 GLY33 0.0765 518 HA1 37.9800 63.6150 48.9670 H 33 GLY33 0.0521 519 HA2 39.6800 63.8310 48.5140 H 33 GLY33 0.0521 520 C 38.3370 63.5810 46.8570 C.2 33 GLY33 0.2155 521 O 38.7030 62.4640 46.4910 O.2 33 GLY33 -0.2781 522 N 37.6460 64.4100 46.0810 N.am 34 ALA34 -0.2462 523 H 37.3040 65.2870 46.4730 H 34 ALA34 0.1311 524 CA 37.3640 64.1000 44.6860 C.3 34 ALA34 0.0850 525 HA 37.2180 63.0210 44.6020 H 34 ALA34 0.0554 526 C 38.5520 64.4860 43.8040 C.2 34 ALA34 0.2184 527 O 38.9080 63.7580 42.8780 O.2 34 ALA34 -0.2778 528 CB 36.0830 64.8090 44.2320 C.3 34 ALA34 -0.0411 529 HB1 35.8300 64.5410 43.2050 H 34 ALA34 0.0249 530 HB2 36.1860 65.8920 44.2760 H 34 ALA34 0.0249 531 HB3 35.2390 64.5240 44.8600 H 34 ALA34 0.0249 532 N 39.1560 65.6370 44.0900 N.am 35 LEU35 -0.2457 533 H 38.7720 66.2330 44.8230 H 35 LEU35 0.1312 534 CA 40.3550 66.0650 43.3790 C.3 35 LEU35 0.0880 535 HA 40.1050 66.1100 42.3200 H 35 LEU35 0.0557 536 C 41.4550 65.0240 43.5490 C.2 35 LEU35 0.2187 537 O 42.1970 64.7270 42.6150 O.2 35 LEU35 -0.2778 538 CB 40.8100 67.4370 43.9060 C.3 35 LEU35 -0.0266 539 HB1 41.8040 67.6740 43.5230 H 35 LEU35 0.0287 540 HB2 40.9130 67.3760 44.9910 H 35 LEU35 0.0287 541 CG 39.8560 68.5920 43.5500 C.3 35 LEU35 -0.0449 542 HG 38.8390 68.3050 43.8100 H 35 LEU35 0.0296 543 CD1 40.1970 69.8470 44.3640 C.3 35 LEU35 -0.0626 544 HD11 39.5050 70.6590 44.1420 H 35 LEU35 0.0232 545 HD12 41.2060 70.1970 44.1440 H 35 LEU35 0.0232 546 HD13 40.1380 69.6490 45.4330 H 35 LEU35 0.0232 547 CD2 39.8740 68.9090 42.0480 C.3 35 LEU35 -0.0626 548 HD21 39.2290 69.7590 41.8210 H 35 LEU35 0.0232 549 HD22 39.5140 68.0680 41.4570 H 35 LEU35 0.0232 550 HD23 40.8800 69.1540 41.7080 H 35 LEU35 0.0232 551 N 41.5410 64.4660 44.7510 N.am 36 TYR36 -0.2453 552 H 40.9230 64.7940 45.4930 H 36 TYR36 0.1312 553 CA 42.4910 63.4000 45.0430 C.3 36 TYR36 0.0917 554 HA 43.4660 63.7360 44.6870 H 36 TYR36 0.0560 555 C 42.1190 62.1260 44.2900 C.2 36 TYR36 0.2188 556 O 42.9870 61.3420 43.9040 O.2 36 TYR36 -0.2778 557 CB 42.5000 63.1780 46.5640 C.3 36 TYR36 -0.0036 558 HB1 41.5120 62.8550 46.8990 H 36 TYR36 0.0333 559 HB2 42.6960 64.1240 47.0690 H 36 TYR36 0.0333 560 CG 43.5430 62.1860 47.0070 C.ar 36 TYR36 -0.0453 561 CD1 43.1790 61.0450 47.7150 C.ar 36 TYR36 -0.0561 562 HD1 42.1410 60.8640 47.9500 H 36 TYR36 0.0621 563 CD2 44.8890 62.4010 46.7220 C.ar 36 TYR36 -0.0561 564 HD2 45.1930 63.2870 46.1850 H 36 TYR36 0.0621 565 CE1 44.1420 60.1330 48.1280 C.ar 36 TYR36 -0.0317 566 HE1 43.8550 59.2500 48.6770 H 36 TYR36 0.0643 567 CE2 45.8510 61.4810 47.1170 C.ar 36 TYR36 -0.0317 568 HE2 46.8910 61.6500 46.8810 H 36 TYR36 0.0643 569 CZ 45.4770 60.3460 47.8200 C.ar 36 TYR36 0.0726 570 OH 46.4290 59.4320 48.2170 O.3 36 TYR36 -0.3598 571 HH 47.2870 59.7280 47.9420 H 36 TYR36 0.2173 572 N 40.8230 61.9320 44.0750 N.am 37 GLY37 -0.2485 573 H 40.1520 62.6100 44.4350 H 37 GLY37 0.1309 574 CA 40.3380 60.7800 43.3410 C.3 37 GLY37 0.0765 575 HA1 39.2580 60.7820 43.4540 H 37 GLY37 0.0521 576 HA2 40.7510 59.8710 43.7780 H 37 GLY37 0.0521 577 C 40.6610 60.8640 41.8610 C.2 37 GLY37 0.2155 578 O 40.8130 59.8400 41.1910 O.2 37 GLY37 -0.2781 579 N 40.7520 62.0880 41.3490 N.am 38 ILE38 -0.2456 580 H 40.5340 62.8930 41.9370 H 38 ILE38 0.1312 581 CA 41.1570 62.3030 39.9670 C.3 38 ILE38 0.0903 582 HA 40.5020 61.6880 39.3480 H 38 ILE38 0.0560 583 C 42.5810 61.7980 39.7710 C.2 38 ILE38 0.2190 584 O 42.8850 61.1280 38.7860 O.2 38 ILE38 -0.2778 585 CB 41.0030 63.7850 39.5490 C.3 38 ILE38 -0.0201 586 HB 41.5530 64.3970 40.2630 H 38 ILE38 0.0318 587 CG1 39.5250 64.2120 39.5890 C.3 38 ILE38 -0.0514 588 HG11 39.1000 63.9550 40.5540 H 38 ILE38 0.0266 589 HG12 38.9550 63.6460 38.8520 H 38 ILE38 0.0266 590 CG2 41.5950 64.0540 38.1510 C.3 38 ILE38 -0.0605 591 HG21 41.4920 65.1000 37.8650 H 38 ILE38 0.0233 592 HG22 41.0980 63.4490 37.3920 H 38 ILE38 0.0233 593 HG23 42.6600 63.8290 38.1100 H 38 ILE38 0.0233 594 CD1 39.3060 65.7140 39.3700 C.3 38 ILE38 -0.0650 595 HD11 38.2700 65.9860 39.5720 H 38 ILE38 0.0230 596 HD12 39.5250 66.0060 38.3430 H 38 ILE38 0.0230 597 HD13 39.9430 66.3020 40.0290 H 38 ILE38 0.0230 598 N 43.4450 62.1060 40.7320 N.am 39 THR39 -0.2434 599 H 43.1180 62.6230 41.5480 H 39 THR39 0.1313 600 CA 44.8490 61.7240 40.6490 C.3 39 THR39 0.1135 601 HA 45.1830 62.0120 39.6510 H 39 THR39 0.0583 602 C 45.0340 60.2120 40.7560 C.2 39 THR39 0.2212 603 O 46.0700 59.6770 40.3670 O.2 39 THR39 -0.2777 604 CB 45.7170 62.4670 41.6840 C.3 39 THR39 0.0763 605 HB 46.7610 62.2130 41.4610 H 39 THR39 0.0611 606 OG1 45.4070 62.0230 42.9930 O.3 39 THR39 -0.3900 607 HG1 45.9510 62.4580 43.6400 H 39 THR39 0.2098 608 CG2 45.5480 63.9910 41.5740 C.3 39 THR39 -0.0370 609 HG21 46.2640 64.5230 42.2000 H 39 THR39 0.0255 610 HG22 44.5490 64.3000 41.8800 H 39 THR39 0.0255 611 HG23 45.7000 64.3260 40.5490 H 39 THR39 0.0255 612 N 44.0270 59.5250 41.2840 N.am 40 LEU40 -0.2456 613 H 43.1890 60.0190 41.5900 H 40 LEU40 0.1312 614 CA 44.1010 58.0790 41.4320 C.3 40 LEU40 0.0880 615 HA 45.1440 57.7660 41.4830 H 40 LEU40 0.0557 616 C 43.4600 57.3490 40.2570 C.2 40 LEU40 0.2187 617 O 43.3190 56.1280 40.2880 O.2 40 LEU40 -0.2778 618 CB 43.3610 57.6910 42.7270 C.3 40 LEU40 -0.0266 619 HB1 43.2550 56.6080 42.7890 H 40 LEU40 0.0287 620 HB2 42.3440 58.0850 42.6760 H 40 LEU40 0.0287 621 CG 44.0280 58.1910 44.0230 C.3 40 LEU40 -0.0449 622 HG 44.2150 59.2600 43.9320 H 40 LEU40 0.0296 623 CD1 43.0870 57.9910 45.2200 C.3 40 LEU40 -0.0626 624 HD11 43.5640 58.2990 46.1480 H 40 LEU40 0.0232 625 HD12 42.7930 56.9480 45.3310 H 40 LEU40 0.0232 626 HD13 42.1810 58.5840 45.1030 H 40 LEU40 0.0232 627 CD2 45.3810 57.5130 44.2790 C.3 40 LEU40 -0.0626 628 HD21 45.8150 57.8590 45.2180 H 40 LEU40 0.0232 629 HD22 46.0970 57.7410 43.4900 H 40 LEU40 0.0232 630 HD23 45.2820 56.4310 44.3390 H 40 LEU40 0.0232 631 N 43.0710 58.0930 39.2240 N.am 41 ILE41 -0.2454 632 H 43.2080 59.1040 39.2550 H 41 ILE41 0.1312 633 CA 42.4500 57.4870 38.0430 C.3 41 ILE41 0.0906 634 HA 41.6380 56.8650 38.4200 H 41 ILE41 0.0560 635 C 43.3840 56.5180 37.2950 C.2 41 ILE41 0.2216 636 O 42.9900 55.3810 37.0350 O.2 41 ILE41 -0.2776 637 CB 41.8630 58.5780 37.1140 C.3 41 ILE41 -0.0201 638 HB 42.5920 59.3860 37.0640 H 41 ILE41 0.0318 639 CG1 40.5680 59.1750 37.6970 C.3 41 ILE41 -0.0514 640 HG11 40.3240 60.0910 37.1590 H 41 ILE41 0.0266 641 HG12 40.7330 59.4720 38.7310 H 41 ILE41 0.0266 642 CG2 41.6390 58.1150 35.6600 C.3 41 ILE41 -0.0605 643 HG21 41.1180 58.8790 35.0820 H 41 ILE41 0.0233 644 HG22 41.0480 57.2000 35.6180 H 41 ILE41 0.0233 645 HG23 42.5830 57.9200 35.1520 H 41 ILE41 0.0233 646 CD1 39.3640 58.2240 37.6280 C.3 41 ILE41 -0.0650 647 HD11 38.4720 58.7070 38.0170 H 41 ILE41 0.0230 648 HD12 39.5250 57.3190 38.2120 H 41 ILE41 0.0230 649 HD13 39.1400 57.9280 36.6040 H 41 ILE41 0.0230 650 N 44.6210 56.9440 36.9520 N.am 42 PRO42 -0.2316 651 CA 45.4650 55.9880 36.2220 C.3 42 PRO42 0.0907 652 HA 44.9210 55.6580 35.3350 H 42 PRO42 0.0559 653 C 45.8480 54.7510 37.0340 C.2 42 PRO42 0.2190 654 O 46.2900 53.7580 36.4600 O.2 42 PRO42 -0.2778 655 CB 46.6830 56.8320 35.8260 C.3 42 PRO42 -0.0276 656 HB1 46.5260 57.2300 34.8230 H 42 PRO42 0.0285 657 HB2 47.6190 56.2720 35.8060 H 42 PRO42 0.0285 658 CG 46.7100 57.9910 36.8190 C.3 42 PRO42 -0.0379 659 HG1 47.2000 58.8800 36.4200 H 42 PRO42 0.0278 660 HG2 47.2590 57.6840 37.7100 H 42 PRO42 0.0278 661 CD 45.2490 58.2420 37.1920 C.3 42 PRO42 0.0071 662 HD1 45.1780 58.5420 38.2330 H 42 PRO42 0.0431 663 HD2 44.7690 58.9700 36.5400 H 42 PRO42 0.0431 664 N 45.6790 54.8180 38.3500 N.am 43 THR43 -0.2434 665 H 45.3000 55.6740 38.7550 H 43 THR43 0.1313 666 CA 46.0180 53.7080 39.2360 C.3 43 THR43 0.1135 667 HA 46.9650 53.2850 38.8990 H 43 THR43 0.0583 668 C 44.9460 52.6250 39.2040 C.2 43 THR43 0.2212 669 O 45.2340 51.4320 39.3310 O.2 43 THR43 -0.2777 670 CB 46.1620 54.2650 40.6700 C.3 43 THR43 0.0763 671 HB 45.1930 54.6830 40.9680 H 43 THR43 0.0611 672 OG1 47.1280 55.3050 40.6360 O.3 43 THR43 -0.3900 673 HG1 47.2080 55.7280 41.4850 H 43 THR43 0.2098 674 CG2 46.5800 53.1940 41.6940 C.3 43 THR43 -0.0370 675 HG21 46.6580 53.6050 42.7010 H 43 THR43 0.0255 676 HG22 47.5460 52.7620 41.4330 H 43 THR43 0.0255 677 HG23 45.8540 52.3840 41.7450 H 43 THR43 0.0255 678 N 43.7050 53.0640 39.0270 N.am 44 CYS44 -0.2448 679 H 43.5650 54.0470 38.7950 H 44 CYS44 0.1312 680 CA 42.5340 52.2040 39.1490 C.3 44 CYS44 0.0965 681 HA 42.5500 51.7980 40.1610 H 44 CYS44 0.0565 682 C 42.5180 51.0380 38.1720 C.2 44 CYS44 0.2195 683 O 43.1120 51.1050 37.0960 O.2 44 CYS44 -0.2778 684 CB 41.2940 53.0890 39.0030 C.3 44 CYS44 0.0147 685 HB1 40.4310 52.5130 38.6780 H 44 CYS44 0.0394 686 HB2 41.4710 53.8350 38.2350 H 44 CYS44 0.0394 687 SG 40.8730 53.9430 40.5430 S.3 44 CYS44 -0.1762 688 HG 39.7020 54.5670 40.4040 H 44 CYS44 0.1017 689 N 41.8190 49.9730 38.5540 N.am 45 LYS45 -0.2456 690 H 41.4270 49.9460 39.4950 H 45 LYS45 0.1312 691 CA 41.6010 48.8460 37.6600 C.3 45 LYS45 0.0878 692 HA 42.5510 48.6280 37.1690 H 45 LYS45 0.0557 693 C 40.6200 49.2310 36.5630 C.2 45 LYS45 0.2187 694 O 39.9710 50.2730 36.6330 O.2 45 LYS45 -0.2778 695 CB 41.1350 47.6190 38.4690 C.3 45 LYS45 -0.0289 696 HB1 40.6230 46.9280 37.7980 H 45 LYS45 0.0285 697 HB2 40.3800 47.9070 39.2020 H 45 LYS45 0.0285 698 CG 42.2900 46.8290 39.1260 C.3 45 LYS45 -0.0496 699 HG1 43.2390 47.0100 38.6190 H 45 LYS45 0.0266 700 HG2 42.0830 45.7720 38.9520 H 45 LYS45 0.0266 701 CD 42.4380 47.0000 40.6500 C.3 45 LYS45 -0.0278 702 HD1 42.6480 46.0160 41.0730 H 45 LYS45 0.0282 703 HD2 41.4870 47.2840 41.0990 H 45 LYS45 0.0282 704 CE 43.5790 47.9260 41.1100 C.3 45 LYS45 0.1103 705 HE1 44.5270 47.6420 40.6510 H 45 LYS45 0.0559 706 HE2 43.7000 47.8050 42.1890 H 45 LYS45 0.0559 707 NZ 43.3620 49.3490 40.8760 N.4 45 LYS45 -0.0749 708 HZ1 44.0220 49.9190 41.4360 H 45 LYS45 0.2742 709 HZ2 42.4160 49.5980 41.2400 H 45 LYS45 0.2742 710 HZ3 43.4130 49.5850 39.8700 H 45 LYS45 0.2742 711 N 40.5160 48.3910 35.5430 N.am 46 PHE46 -0.2453 712 H 41.0680 47.5330 35.5370 H 46 PHE46 0.1312 713 CA 39.6240 48.6790 34.4330 C.3 46 PHE46 0.0917 714 HA 39.8180 49.7010 34.1110 H 46 PHE46 0.0560 715 C 38.1600 48.5660 34.8570 C.2 46 PHE46 0.2190 716 O 37.3250 49.3770 34.4560 O.2 46 PHE46 -0.2778 717 CB 39.9530 47.6850 33.3060 C.3 46 PHE46 -0.0036 718 HB1 39.7690 46.6610 33.6340 H 46 PHE46 0.0333 719 HB2 41.0180 47.7410 33.0770 H 46 PHE46 0.0333 720 CG 39.1900 47.9540 32.0360 C.ar 46 PHE46 -0.0454 721 CD1 39.5560 49.0130 31.2120 C.ar 46 PHE46 -0.0585 722 HD1 40.3830 49.6470 31.4900 H 46 PHE46 0.0620 723 CD2 38.1350 47.1330 31.6510 C.ar 46 PHE46 -0.0585 724 HD2 37.8400 46.3000 32.2730 H 46 PHE46 0.0620 725 CE1 38.8710 49.2610 30.0310 C.ar 46 PHE46 -0.0615 726 HE1 39.1610 50.0910 29.4020 H 46 PHE46 0.0618 727 CE2 37.4630 47.3650 30.4570 C.ar 46 PHE46 -0.0615 728 HE2 36.6580 46.7130 30.1530 H 46 PHE46 0.0618 729 CZ 37.8240 48.4350 29.6510 C.ar 46 PHE46 -0.0617 730 HZ 37.2950 48.6190 28.7270 H 46 PHE46 0.0618 731 N 37.8620 47.5640 35.6780 N.am 47 TYR47 -0.2453 732 H 38.6140 46.9690 36.0250 H 47 TYR47 0.1312 733 CA 36.4920 47.2900 36.0980 C.3 47 TYR47 0.0917 734 HA 35.8980 47.1990 35.1870 H 47 TYR47 0.0560 735 C 35.8910 48.4100 36.9180 C.2 47 TYR47 0.2191 736 O 34.6990 48.6990 36.8170 O.2 47 TYR47 -0.2778 737 CB 36.4620 45.9710 36.8750 C.3 47 TYR47 -0.0036 738 HB1 35.4410 45.7130 37.1580 H 47 TYR47 0.0333 739 HB2 37.0310 46.0850 37.7950 H 47 TYR47 0.0333 740 CG 37.0500 44.8420 36.0730 C.ar 47 TYR47 -0.0453 741 CD1 38.3050 44.3280 36.3900 C.ar 47 TYR47 -0.0561 742 HD1 38.8570 44.7240 37.2300 H 47 TYR47 0.0621 743 CD2 36.3590 44.3180 34.9850 C.ar 47 TYR47 -0.0561 744 HD2 35.3860 44.7090 34.7240 H 47 TYR47 0.0621 745 CE1 38.8610 43.3110 35.6270 C.ar 47 TYR47 -0.0317 746 HE1 39.8350 42.9130 35.8730 H 47 TYR47 0.0643 747 CE2 36.9160 43.3010 34.2200 C.ar 47 TYR47 -0.0317 748 HE2 36.3770 42.9020 33.3730 H 47 TYR47 0.0643 749 CZ 38.1690 42.7990 34.5410 C.ar 47 TYR47 0.0726 750 OH 38.7320 41.7950 33.7820 O.3 47 TYR47 -0.3598 751 HH 38.1290 41.5260 33.1020 H 47 TYR47 0.2173 752 N 36.7190 49.0320 37.7450 N.am 48 THR48 -0.2434 753 H 37.7040 48.7680 37.7670 H 48 THR48 0.1313 754 CA 36.2380 50.0840 38.6180 C.3 48 THR48 0.1135 755 HA 35.2980 49.7220 39.0290 H 48 THR48 0.0583 756 C 35.9500 51.3400 37.7990 C.2 48 THR48 0.2212 757 O 35.2070 52.2180 38.2370 O.2 48 THR48 -0.2777 758 CB 37.1690 50.3530 39.8210 C.3 48 THR48 0.0763 759 HB 37.5200 49.3880 40.1980 H 48 THR48 0.0611 760 OG1 36.3820 50.9800 40.8240 O.3 48 THR48 -0.3900 761 HG1 36.9080 51.1720 41.5940 H 48 THR48 0.2098 762 CG2 38.4010 51.2000 39.4830 C.3 48 THR48 -0.0370 763 HG21 39.0500 51.3400 40.3470 H 48 THR48 0.0255 764 HG22 38.1260 52.1900 39.1200 H 48 THR48 0.0255 765 HG23 38.9940 50.7080 38.7190 H 48 THR48 0.0255 766 N 36.5300 51.4160 36.6030 N.am 49 TRP49 -0.2453 767 H 37.2220 50.7150 36.3370 H 49 TRP49 0.1312 768 CA 36.1950 52.4820 35.6660 C.3 49 TRP49 0.0918 769 HA 36.1560 53.4160 36.2290 H 49 TRP49 0.0560 770 C 34.8040 52.2540 35.1040 C.2 49 TRP49 0.2190 771 O 33.9810 53.1670 35.0570 O.2 49 TRP49 -0.2778 772 CB 37.2020 52.6090 34.5070 C.3 49 TRP49 -0.0021 773 HB1 36.8520 53.3590 33.7960 H 49 TRP49 0.0334 774 HB2 37.2790 51.6770 33.9510 H 49 TRP49 0.0334 775 CG 38.5810 53.0420 34.9650 C.ar 49 TRP49 -0.0260 776 CD1 38.9020 53.8090 36.0920 C.ar 49 TRP49 -0.0136 777 HD1 38.2060 54.1760 36.8310 H 49 TRP49 0.0748 778 CD2 39.8200 52.8230 34.2590 C.ar 49 TRP49 -0.0028 779 NE1 40.2350 54.0500 36.1000 N.ar 49 TRP49 -0.2641 780 HE1 40.7160 54.5810 36.7690 H 49 TRP49 0.1331 781 CE2 40.8450 53.4290 35.0200 C.ar 49 TRP49 0.0269 782 CE3 40.1250 52.1910 33.0840 C.ar 49 TRP49 -0.0528 783 HE3 39.3380 51.7420 32.4980 H 49 TRP49 0.0624 784 CZ2 42.1460 53.3480 34.6050 C.ar 49 TRP49 -0.0430 785 HZ2 42.9310 53.7960 35.1950 H 49 TRP49 0.0633 786 CZ3 41.4500 52.1150 32.6520 C.ar 49 TRP49 -0.0611 787 HZ3 41.6930 51.6140 31.7270 H 49 TRP49 0.0618 788 CH2 42.4640 52.6850 33.4200 C.ar 49 TRP49 -0.0602 789 HH2 43.4930 52.6250 33.0970 H 49 TRP49 0.0618 790 N 34.5600 51.0250 34.6660 N.am 50 LEU50 -0.2456 791 H 35.3160 50.3400 34.6590 H 50 LEU50 0.1312 792 CA 33.2420 50.6310 34.1960 C.3 50 LEU50 0.0880 793 HA 32.9710 51.2950 33.3740 H 50 LEU50 0.0557 794 C 32.2160 50.7840 35.3080 C.2 50 LEU50 0.2187 795 O 31.1060 51.2550 35.0710 O.2 50 LEU50 -0.2778 796 CB 33.2540 49.1560 33.7500 C.3 50 LEU50 -0.0266 797 HB1 32.2650 48.8900 33.3730 H 50 LEU50 0.0287 798 HB2 33.4230 48.5180 34.6190 H 50 LEU50 0.0287 799 CG 34.3040 48.7920 32.6880 C.3 50 LEU50 -0.0449 800 HG 35.2960 49.0100 33.0810 H 50 LEU50 0.0296 801 CD1 34.2440 47.2850 32.4060 C.3 50 LEU50 -0.0626 802 HD11 34.9830 46.9890 31.6650 H 50 LEU50 0.0232 803 HD12 33.2640 46.9940 32.0270 H 50 LEU50 0.0232 804 HD13 34.4370 46.7070 33.3110 H 50 LEU50 0.0232 805 CD2 34.1230 49.5960 31.3950 C.3 50 LEU50 -0.0626 806 HD21 34.8560 49.2980 30.6450 H 50 LEU50 0.0232 807 HD22 34.2540 50.6640 31.5700 H 50 LEU50 0.0232 808 HD23 33.1300 49.4440 30.9710 H 50 LEU50 0.0232 809 N 32.5920 50.3860 36.5200 N.am 51 TRP51 -0.2453 810 H 33.5180 49.9760 36.6450 H 51 TRP51 0.1312 811 CA 31.7110 50.5220 37.6730 C.3 51 TRP51 0.0918 812 HA 30.7850 50.0020 37.4270 H 51 TRP51 0.0560 813 C 31.3780 51.9860 37.9250 C.2 51 TRP51 0.2188 814 O 30.2190 52.3400 38.1390 O.2 51 TRP51 -0.2778 815 CB 32.3610 49.8990 38.9090 C.3 51 TRP51 -0.0021 816 HB1 33.3230 50.3680 39.0980 H 51 TRP51 0.0334 817 HB2 32.5360 48.8410 38.7260 H 51 TRP51 0.0334 818 CG 31.4950 50.0790 40.1420 C.ar 51 TRP51 -0.0260 819 CD1 31.7980 50.8960 41.2340 C.ar 51 TRP51 -0.0136 820 HD1 32.7000 51.4830 41.3320 H 51 TRP51 0.0748 821 CD2 30.2070 49.4920 40.4180 C.ar 51 TRP51 -0.0028 822 NE1 30.8050 50.8110 42.1520 N.ar 51 TRP51 -0.2641 823 HE1 30.8020 51.2710 43.0180 H 51 TRP51 0.1331 824 CE2 29.8010 49.9720 41.6860 C.ar 51 TRP51 0.0269 825 CE3 29.4000 48.6350 39.7180 C.ar 51 TRP51 -0.0528 826 HE3 29.7120 48.2710 38.7510 H 51 TRP51 0.0624 827 CZ2 28.6040 49.5740 42.2160 C.ar 51 TRP51 -0.0430 828 HZ2 28.2960 49.9360 43.1850 H 51 TRP51 0.0633 829 CZ3 28.1770 48.2310 40.2550 C.ar 51 TRP51 -0.0611 830 HZ3 27.5410 47.5550 39.7020 H 51 TRP51 0.0618 831 CH2 27.7800 48.6980 41.5070 C.ar 51 TRP51 -0.0602 832 HH2 26.8370 48.3840 41.9300 H 51 TRP51 0.0618 833 N 32.4040 52.8310 37.8900 N.am 52 GLY52 -0.2485 834 H 33.3390 52.4660 37.7060 H 52 GLY52 0.1309 835 CA 32.2360 54.2560 38.1060 C.3 52 GLY52 0.0765 836 HA1 33.2260 54.7060 38.0390 H 52 GLY52 0.0521 837 HA2 31.8490 54.3990 39.1150 H 52 GLY52 0.0521 838 C 31.3100 54.9040 37.0960 C.2 52 GLY52 0.2155 839 O 30.3510 55.5780 37.4660 O.2 52 GLY52 -0.2781 840 N 31.5940 54.6940 35.8150 N.am 53 VAL53 -0.2456 841 H 32.4070 54.1270 35.5740 H 53 VAL53 0.1312 842 CA 30.7750 55.2520 34.7440 C.3 53 VAL53 0.0901 843 HA 30.7290 56.3300 34.9050 H 53 VAL53 0.0560 844 C 29.3440 54.7140 34.8020 C.2 53 VAL53 0.2189 845 O 28.3860 55.4770 34.6930 O.2 53 VAL53 -0.2778 846 CB 31.4530 54.9560 33.3890 C.3 53 VAL53 -0.0227 847 HB 31.6300 53.8810 33.3260 H 53 VAL53 0.0315 848 CG1 30.5800 55.3580 32.1880 C.3 53 VAL53 -0.0608 849 HG11 31.1050 55.1910 31.2480 H 53 VAL53 0.0233 850 HG12 30.3110 56.4140 32.2370 H 53 VAL53 0.0233 851 HG13 29.6580 54.7780 32.1470 H 53 VAL53 0.0233 852 CG2 32.8160 55.6600 33.2870 C.3 53 VAL53 -0.0608 853 HG21 33.3200 55.4020 32.3550 H 53 VAL53 0.0233 854 HG22 33.4830 55.3870 34.1030 H 53 VAL53 0.0233 855 HG23 32.6980 56.7440 33.3100 H 53 VAL53 0.0233 856 N 29.2060 53.4040 34.9830 N.am 54 PHE54 -0.2453 857 H 30.0400 52.8210 35.0530 H 54 PHE54 0.1312 858 CA 27.8910 52.7780 35.0840 C.3 54 PHE54 0.0917 859 HA 27.3620 52.9670 34.1490 H 54 PHE54 0.0560 860 C 27.0840 53.3730 36.2290 C.2 54 PHE54 0.2190 861 O 25.9190 53.7280 36.0480 O.2 54 PHE54 -0.2778 862 CB 28.1000 51.2680 35.3070 C.3 54 PHE54 -0.0036 863 HB1 28.8190 51.1110 36.1130 H 54 PHE54 0.0333 864 HB2 28.5420 50.8210 34.4160 H 54 PHE54 0.0333 865 CG 26.8290 50.5340 35.6480 C.ar 54 PHE54 -0.0454 866 CD1 25.8660 50.2940 34.6730 C.ar 54 PHE54 -0.0585 867 HD1 26.0340 50.6220 33.6570 H 54 PHE54 0.0620 868 CD2 26.5880 50.1170 36.9540 C.ar 54 PHE54 -0.0585 869 HD2 27.3190 50.3070 37.7270 H 54 PHE54 0.0620 870 CE1 24.6810 49.6460 34.9970 C.ar 54 PHE54 -0.0615 871 HE1 23.9370 49.4670 34.2350 H 54 PHE54 0.0618 872 CE2 25.4040 49.4690 37.2820 C.ar 54 PHE54 -0.0615 873 HE2 25.2260 49.1540 38.3000 H 54 PHE54 0.0618 874 CZ 24.4510 49.2310 36.3020 C.ar 54 PHE54 -0.0617 875 HZ 23.5280 48.7310 36.5560 H 54 PHE54 0.0618 876 N 27.7100 53.4890 37.3990 N.am 55 TYR55 -0.2453 877 H 28.6820 53.1880 37.4710 H 55 TYR55 0.1312 878 CA 27.0470 54.0340 38.5830 C.3 55 TYR55 0.0917 879 HA 26.1190 53.4640 38.6610 H 55 TYR55 0.0560 880 C 26.6440 55.4910 38.3730 C.2 55 TYR55 0.2190 881 O 25.6740 55.9660 38.9610 O.2 55 TYR55 -0.2778 882 CB 27.8910 53.8130 39.8490 C.3 55 TYR55 -0.0036 883 HB1 28.4830 54.6910 40.1090 H 55 TYR55 0.0333 884 HB2 28.6070 53.0110 39.6830 H 55 TYR55 0.0333 885 CG 27.0310 53.3740 41.0030 C.ar 55 TYR55 -0.0453 886 CD1 26.5740 52.0610 41.0530 C.ar 55 TYR55 -0.0561 887 HD1 26.8400 51.3660 40.2690 H 55 TYR55 0.0621 888 CD2 26.6650 54.2550 42.0140 C.ar 55 TYR55 -0.0561 889 HD2 27.0020 55.2770 41.9760 H 55 TYR55 0.0621 890 CE1 25.7850 51.6260 42.1080 C.ar 55 TYR55 -0.0317 891 HE1 25.4440 50.6020 42.1500 H 55 TYR55 0.0643 892 CE2 25.8760 53.8210 43.0740 C.ar 55 TYR55 -0.0317 893 HE2 25.6020 54.5010 43.8650 H 55 TYR55 0.0643 894 CZ 25.4480 52.5010 43.1260 C.ar 55 TYR55 0.0726 895 OH 24.6990 52.0420 44.1880 O.3 55 TYR55 -0.3598 896 HH 24.5970 52.7260 44.8340 H 55 TYR55 0.2173 897 N 27.3940 56.1910 37.5300 N.am 56 TYR56 -0.2453 898 H 28.2130 55.7490 37.1120 H 56 TYR56 0.1312 899 CA 27.0810 57.5730 37.1850 C.3 56 TYR56 0.0917 900 HA 26.9220 58.1100 38.1210 H 56 TYR56 0.0560 901 C 25.7780 57.6730 36.4000 C.2 56 TYR56 0.2190 902 O 24.9410 58.5320 36.6780 O.2 56 TYR56 -0.2778 903 CB 28.2720 58.2280 36.4320 C.3 56 TYR56 -0.0036 904 HB1 28.7680 57.4990 35.7980 H 56 TYR56 0.0333 905 HB2 29.0290 58.5510 37.1470 H 56 TYR56 0.0333 906 CG 27.8640 59.3970 35.5620 C.ar 56 TYR56 -0.0453 907 CD1 27.4650 59.1730 34.2460 C.ar 56 TYR56 -0.0561 908 HD1 27.5340 58.1820 33.8230 H 56 TYR56 0.0621 909 CD2 27.7720 60.6870 36.0780 C.ar 56 TYR56 -0.0561 910 HD2 28.1050 60.8900 37.0830 H 56 TYR56 0.0621 911 CE1 26.8700 60.1840 33.5050 C.ar 56 TYR56 -0.0317 912 HE1 26.4990 59.9860 32.5110 H 56 TYR56 0.0643 913 CE2 27.1950 61.7090 35.3290 C.ar 56 TYR56 -0.0317 914 HE2 27.0790 62.6950 35.7520 H 56 TYR56 0.0643 915 CZ 26.7090 61.4450 34.0560 C.ar 56 TYR56 0.0726 916 OH 26.0270 62.4090 33.3440 O.3 56 TYR56 -0.3598 917 HH 26.4160 63.2650 33.4720 H 56 TYR56 0.2173 918 N 25.6180 56.7950 35.4150 N.am 57 PHE57 -0.2453 919 H 26.3230 56.0720 35.2750 H 57 PHE57 0.1312 920 CA 24.4600 56.8380 34.5280 C.3 57 PHE57 0.0917 921 HA 24.3670 57.8660 34.1730 H 57 PHE57 0.0560 922 C 23.1570 56.5000 35.2510 C.2 57 PHE57 0.2190 923 O 22.1680 57.2270 35.1260 O.2 57 PHE57 -0.2778 924 CB 24.6580 55.8720 33.3430 C.3 57 PHE57 -0.0036 925 HB1 23.6970 55.5590 32.9310 H 57 PHE57 0.0333 926 HB2 25.1570 54.9590 33.6720 H 57 PHE57 0.0333 927 CG 25.4190 56.5110 32.2130 C.ar 57 PHE57 -0.0454 928 CD1 24.8040 57.4790 31.4240 C.ar 57 PHE57 -0.0585 929 HD1 23.7860 57.7730 31.6290 H 57 PHE57 0.0620 930 CD2 26.7250 56.1320 31.9210 C.ar 57 PHE57 -0.0585 931 HD2 27.2120 55.3680 32.5090 H 57 PHE57 0.0620 932 CE1 25.4880 58.0770 30.3750 C.ar 57 PHE57 -0.0615 933 HE1 25.0030 58.8330 29.7750 H 57 PHE57 0.0618 934 CE2 27.4120 56.7280 30.8710 C.ar 57 PHE57 -0.0615 935 HE2 28.4270 56.4320 30.6500 H 57 PHE57 0.0618 936 CZ 26.7960 57.7050 30.1010 C.ar 57 PHE57 -0.0617 937 HZ 27.3310 58.1710 29.2870 H 57 PHE57 0.0618 938 N 23.1580 55.4080 36.0100 N.am 58 VAL58 -0.2454 939 H 24.0070 54.8460 36.0730 H 58 VAL58 0.1312 940 CA 21.9730 54.9960 36.7540 C.3 58 VAL58 0.0901 941 HA 21.1620 54.8750 36.0340 H 58 VAL58 0.0560 942 C 21.5650 56.0740 37.7550 C.2 58 VAL58 0.2190 943 O 20.3800 56.3570 37.9290 O.2 58 VAL58 -0.2778 944 CB 22.2650 53.6580 37.4710 C.3 58 VAL58 -0.0227 945 HB 23.1430 53.7950 38.1040 H 58 VAL58 0.0315 946 CG1 21.1070 53.2100 38.3810 C.3 58 VAL58 -0.0608 947 HG11 21.3130 52.2380 38.8290 H 58 VAL58 0.0233 948 HG12 20.1760 53.1270 37.8220 H 58 VAL58 0.0233 949 HG13 20.9400 53.9100 39.2010 H 58 VAL58 0.0233 950 CG2 22.5980 52.5470 36.4630 C.3 58 VAL58 -0.0608 951 HG21 22.8070 51.6090 36.9770 H 58 VAL58 0.0233 952 HG22 23.4760 52.7880 35.8650 H 58 VAL58 0.0233 953 HG23 21.7660 52.3730 35.7810 H 58 VAL58 0.0233 954 N 22.5560 56.6720 38.4060 N.am 59 SER59 -0.2436 955 H 23.5130 56.3550 38.2530 H 59 SER59 0.1312 956 CA 22.3100 57.7670 39.3310 C.3 59 SER59 0.1109 957 HA 21.6300 57.4000 40.1020 H 59 SER59 0.0580 958 C 21.6370 58.9250 38.6100 C.2 59 SER59 0.2209 959 O 20.7230 59.5530 39.1430 O.2 59 SER59 -0.2777 960 CB 23.6270 58.2600 39.9630 C.3 59 SER59 0.0681 961 HB1 23.4340 59.1580 40.5540 H 59 SER59 0.0577 962 HB2 24.3440 58.5570 39.1910 H 59 SER59 0.0577 963 OG 24.2340 57.3230 40.8390 O.3 59 SER59 -0.3930 964 HG 24.2980 56.4810 40.3890 H 59 SER59 0.2095 965 N 22.0980 59.1950 37.3920 N.am 60 ALA60 -0.2459 966 H 22.8550 58.6250 37.0150 H 60 ALA60 0.1312 967 CA 21.5590 60.2760 36.5780 C.3 60 ALA60 0.0850 968 HA 21.5990 61.1780 37.1870 H 60 ALA60 0.0554 969 C 20.0950 60.0200 36.2460 C.2 60 ALA60 0.2184 970 O 19.2530 60.8990 36.4070 O.2 60 ALA60 -0.2778 971 CB 22.4000 60.4510 35.3070 C.3 60 ALA60 -0.0411 972 HB1 22.0690 61.3230 34.7470 H 60 ALA60 0.0249 973 HB2 22.3300 59.5900 34.6430 H 60 ALA60 0.0249 974 HB3 23.4530 60.5930 35.5490 H 60 ALA60 0.0249 975 N 19.8030 58.8080 35.7850 N.am 61 LEU61 -0.2457 976 H 20.5560 58.1300 35.6700 H 61 LEU61 0.1312 977 CA 18.4400 58.4140 35.4370 C.3 61 LEU61 0.0880 978 HA 18.0930 59.1280 34.6900 H 61 LEU61 0.0557 979 C 17.4830 58.5290 36.6210 C.2 61 LEU61 0.2185 980 O 16.2930 58.7890 36.4480 O.2 61 LEU61 -0.2778 981 CB 18.4320 56.9890 34.8590 C.3 61 LEU61 -0.0266 982 HB1 17.4030 56.6570 34.7100 H 61 LEU61 0.0287 983 HB2 18.8660 56.3090 35.5940 H 61 LEU61 0.0287 984 CG 19.1900 56.8490 33.5240 C.3 61 LEU61 -0.0449 985 HG 20.2110 57.2030 33.6580 H 61 LEU61 0.0296 986 CD1 19.2740 55.3730 33.1160 C.3 61 LEU61 -0.0626 987 HD11 19.8230 55.2520 32.1810 H 61 LEU61 0.0232 988 HD12 18.2800 54.9470 32.9770 H 61 LEU61 0.0232 989 HD13 19.7850 54.7850 33.8780 H 61 LEU61 0.0232 990 CD2 18.5560 57.6850 32.4010 C.3 61 LEU61 -0.0626 991 HD21 19.0480 57.4970 31.4460 H 61 LEU61 0.0232 992 HD22 18.6400 58.7520 32.5980 H 61 LEU61 0.0232 993 HD23 17.4990 57.4490 32.2820 H 61 LEU61 0.0232 994 N 18.0100 58.3210 37.8230 N.am 62 GLY62 -0.2485 995 H 18.9960 58.0690 37.8970 H 62 GLY62 0.1309 996 CA 17.2200 58.4430 39.0310 C.3 62 GLY62 0.0765 997 HA1 17.8430 58.1000 39.8530 H 62 GLY62 0.0521 998 HA2 16.3400 57.8030 38.9510 H 62 GLY62 0.0521 999 C 16.8170 59.8770 39.2910 C.2 62 GLY62 0.2155 1000 O 15.8100 60.1410 39.9450 O.2 62 GLY62 -0.2781 1001 N 17.6080 60.8110 38.7790 N.am 63 ILE63 -0.2456 1002 H 18.4580 60.5330 38.2870 H 63 ILE63 0.1312 1003 CA 17.2860 62.2240 38.9060 C.3 63 ILE63 0.0903 1004 HA 16.6600 62.3650 39.7860 H 63 ILE63 0.0560 1005 C 16.5630 62.7220 37.6700 C.2 63 ILE63 0.2190 1006 O 15.5110 63.3530 37.7590 O.2 63 ILE63 -0.2778 1007 CB 18.5900 63.0570 39.0590 C.3 63 ILE63 -0.0201 1008 HB 19.1170 63.0340 38.1030 H 63 ILE63 0.0318 1009 CG1 19.5910 62.5230 40.1050 C.3 63 ILE63 -0.0514 1010 HG11 19.6170 61.4370 40.1120 H 63 ILE63 0.0266 1011 HG12 19.2790 62.8150 41.1090 H 63 ILE63 0.0266 1012 CG2 18.2560 64.5230 39.3810 C.3 63 ILE63 -0.0605 1013 HG21 19.1510 65.1350 39.4740 H 63 ILE63 0.0233 1014 HG22 17.7190 64.5860 40.3270 H 63 ILE63 0.0233 1015 HG23 17.6330 64.9790 38.6110 H 63 ILE63 0.0233 1016 CD1 21.0140 63.0350 39.8180 C.3 63 ILE63 -0.0650 1017 HD11 21.7460 62.6780 40.5350 H 63 ILE63 0.0230 1018 HD12 21.0530 64.1200 39.8460 H 63 ILE63 0.0230 1019 HD13 21.3500 62.7140 38.8340 H 63 ILE63 0.0230 1020 N 17.1450 62.4260 36.5140 N.am 64 THR64 -0.2434 1021 H 17.9760 61.8350 36.5180 H 64 THR64 0.1313 1022 CA 16.6390 62.9150 35.2410 C.3 64 THR64 0.1135 1023 HA 16.5080 63.9910 35.3740 H 64 THR64 0.0583 1024 C 15.2730 62.3310 34.8970 C.2 64 THR64 0.2212 1025 O 14.2670 63.0400 34.9190 O.2 64 THR64 -0.2777 1026 CB 17.6570 62.6920 34.1100 C.3 64 THR64 0.0763 1027 HB 17.7990 61.6160 33.9510 H 64 THR64 0.0611 1028 OG1 18.8760 63.2820 34.5200 O.3 64 THR64 -0.3900 1029 HG1 19.5830 63.0680 33.9210 H 64 THR64 0.2098 1030 CG2 17.1830 63.3820 32.8220 C.3 64 THR64 -0.0370 1031 HG21 17.9650 63.4680 32.0690 H 64 THR64 0.0255 1032 HG22 16.8340 64.3810 33.0630 H 64 THR64 0.0255 1033 HG23 16.3410 62.8650 32.3730 H 64 THR64 0.0255 1034 N 15.2390 61.0420 34.5750 N.am 65 ALA65 -0.2458 1035 H 16.1080 60.5090 34.5510 H 65 ALA65 0.1312 1036 CA 13.9820 60.3760 34.2550 C.3 65 ALA65 0.0850 1037 HA 13.4830 60.9520 33.4760 H 65 ALA65 0.0554 1038 C 13.0820 60.3110 35.4790 C.2 65 ALA65 0.2182 1039 O 11.8750 60.5260 35.3860 O.2 65 ALA65 -0.2778 1040 CB 14.2700 58.9440 33.7750 C.3 65 ALA65 -0.0411 1041 HB1 13.3570 58.4380 33.4630 H 65 ALA65 0.0249 1042 HB2 14.7300 58.3410 34.5570 H 65 ALA65 0.0249 1043 HB3 14.9500 58.9310 32.9300 H 65 ALA65 0.0249 1044 N 13.6830 60.0310 36.6300 N.am 66 GLY66 -0.2485 1045 H 14.6990 59.9410 36.6510 H 66 GLY66 0.1309 1046 CA 12.9330 59.8500 37.8580 C.3 66 GLY66 0.0765 1047 HA1 13.5740 59.2800 38.5310 H 66 GLY66 0.0521 1048 HA2 12.0500 59.2480 37.6450 H 66 GLY66 0.0521 1049 C 12.5050 61.1320 38.5410 C.2 66 GLY66 0.2155 1050 O 11.3750 61.5910 38.3710 O.2 66 GLY66 -0.2781 1051 N 13.4150 61.7060 39.3210 N.am 67 ALA67 -0.2462 1052 H 14.3680 61.3440 39.3120 H 67 ALA67 0.1311 1053 CA 13.1010 62.8350 40.1900 C.3 67 ALA67 0.0850 1054 HA 12.3260 62.4940 40.8760 H 67 ALA67 0.0554 1055 C 12.5630 64.0380 39.4360 C.2 67 ALA67 0.2184 1056 O 11.7770 64.8130 39.9760 O.2 67 ALA67 -0.2778 1057 CB 14.3330 63.2450 41.0000 C.3 67 ALA67 -0.0411 1058 HB1 14.0700 63.9450 41.7930 H 67 ALA67 0.0249 1059 HB2 15.0890 63.7230 40.3770 H 67 ALA67 0.0249 1060 HB3 14.7810 62.3730 41.4710 H 67 ALA67 0.0249 1061 N 12.9790 64.1880 38.1850 N.am 68 HIS68 -0.2453 1062 H 13.5290 63.4510 37.7430 H 68 HIS68 0.1312 1063 CA 12.6590 65.3920 37.4380 C.3 68 HIS68 0.0932 1064 HA 12.4420 66.2030 38.1730 H 68 HIS68 0.0561 1065 C 11.4460 65.2510 36.5250 C.2 68 HIS68 0.2190 1066 O 10.4810 66.0010 36.6380 O.2 68 HIS68 -0.2778 1067 CB 13.8600 65.8240 36.6080 C.3 68 HIS68 0.0146 1068 HB1 14.1450 65.0290 35.8800 H 68 HIS68 0.0348 1069 HB2 14.7170 65.9520 37.3100 H 68 HIS68 0.0348 1070 CG 13.6580 67.1300 35.9150 C.ar 68 HIS68 0.0551 1071 ND1 14.4170 67.5360 34.8400 N.ar 68 HIS68 -0.2469 1072 CD2 12.7750 68.1260 36.1490 C.ar 68 HIS68 0.0047 1073 HD2 12.0070 68.1470 36.9410 H 68 HIS68 0.0764 1074 CE1 14.0080 68.7280 34.4410 C.ar 68 HIS68 0.0737 1075 HE1 14.4270 69.3080 33.6020 H 68 HIS68 0.0963 1076 NE2 13.0110 69.1050 35.2200 N.ar 68 HIS68 -0.2539 1077 HE2 12.4990 69.9840 35.1430 H 68 HIS68 0.1339 1078 N 11.5090 64.3140 35.5920 N.am 69 ARG69 -0.2456 1079 H 12.3050 63.6760 35.5650 H 69 ARG69 0.1312 1080 CA 10.4470 64.1900 34.6050 C.3 69 ARG69 0.0879 1081 HA 10.1410 65.1880 34.2850 H 69 ARG69 0.0557 1082 C 9.2350 63.4860 35.1860 C.2 69 ARG69 0.2187 1083 O 8.1220 64.0070 35.1390 O.2 69 ARG69 -0.2778 1084 CB 11.0580 63.4170 33.4260 C.3 69 ARG69 -0.0258 1085 HB1 10.2990 63.0740 32.7270 H 69 ARG69 0.0286 1086 HB2 11.5460 62.5130 33.7930 H 69 ARG69 0.0286 1087 CG 12.0860 64.2870 32.6960 C.3 69 ARG69 -0.0154 1088 HG1 12.8540 64.6150 33.3990 H 69 ARG69 0.0299 1089 HG2 11.6050 65.1960 32.3320 H 69 ARG69 0.0299 1090 CD 12.7710 63.5890 31.5270 C.3 69 ARG69 0.1045 1091 HD1 12.0740 63.4070 30.7100 H 69 ARG69 0.0711 1092 HD2 13.2330 62.6480 31.8340 H 69 ARG69 0.0711 1093 NE 13.8290 64.4790 31.0840 N.pl3 69 ARG69 -0.4450 1094 HE 14.1030 65.2500 31.6670 H 69 ARG69 0.3153 1095 CZ 14.5190 64.4140 29.9640 C.cat 69 ARG69 0.5062 1096 NH1 14.2360 63.5370 29.0400 N.pl3 69 ARG69 -0.4573 1097 HH11 14.8010 63.4710 28.2180 H 69 ARG69 0.3114 1098 HH12 13.4460 62.9430 29.1650 H 69 ARG69 0.3114 1099 NH2 15.4950 65.2580 29.8070 N.pl3 69 ARG69 -0.4573 1100 HH21 16.1180 65.2090 29.0330 H 69 ARG69 0.3114 1101 HH22 15.5900 65.9800 30.5060 H 69 ARG69 0.3114 1102 N 9.4670 62.3080 35.7530 N.am 70 LEU70 -0.2456 1103 H 10.4290 61.9750 35.8240 H 70 LEU70 0.1312 1104 CA 8.3920 61.4750 36.2780 C.3 70 LEU70 0.0880 1105 HA 7.6720 61.3730 35.4650 H 70 LEU70 0.0557 1106 C 7.6630 62.1180 37.4490 C.2 70 LEU70 0.2187 1107 O 6.4380 62.2230 37.4400 O.2 70 LEU70 -0.2778 1108 CB 8.9440 60.0800 36.6340 C.3 70 LEU70 -0.0266 1109 HB1 9.7410 60.1850 37.3670 H 70 LEU70 0.0287 1110 HB2 9.4150 59.6520 35.7500 H 70 LEU70 0.0287 1111 CG 7.9030 59.0820 37.1840 C.3 70 LEU70 -0.0449 1112 HG 7.4690 59.5020 38.0930 H 70 LEU70 0.0296 1113 CD1 6.7650 58.8180 36.1880 C.3 70 LEU70 -0.0626 1114 HD11 6.0660 58.0790 36.5790 H 70 LEU70 0.0232 1115 HD12 7.1490 58.4420 35.2390 H 70 LEU70 0.0232 1116 HD13 6.1980 59.7260 35.9840 H 70 LEU70 0.0232 1117 CD2 8.5830 57.7670 37.5830 C.3 70 LEU70 -0.0626 1118 HD21 7.8800 57.0900 38.0670 H 70 LEU70 0.0232 1119 HD22 9.4020 57.9430 38.2820 H 70 LEU70 0.0232 1120 HD23 8.9930 57.2590 36.7100 H 70 LEU70 0.0232 1121 N 8.4170 62.5580 38.4490 N.am 71 TRP71 -0.2453 1122 H 9.4310 62.5880 38.3410 H 71 TRP71 0.1312 1123 CA 7.8120 62.9990 39.7000 C.3 71 TRP71 0.0918 1124 HA 6.7980 62.6000 39.7710 H 71 TRP71 0.0560 1125 C 7.6790 64.5140 39.8400 C.2 71 TRP71 0.2191 1126 O 6.6400 64.9990 40.2880 O.2 71 TRP71 -0.2778 1127 CB 8.6650 62.4480 40.8700 C.3 71 TRP71 -0.0021 1128 HB1 8.4380 62.9700 41.8020 H 71 TRP71 0.0334 1129 HB2 9.7290 62.5930 40.6800 H 71 TRP71 0.0334 1130 CG 8.3590 60.9810 41.1020 C.ar 71 TRP71 -0.0260 1131 CD1 7.1150 60.4810 41.4870 C.ar 71 TRP71 -0.0136 1132 HD1 6.2430 61.0850 41.6810 H 71 TRP71 0.0748 1133 CD2 9.2580 59.8480 41.1010 C.ar 71 TRP71 -0.0028 1134 NE1 7.1770 59.1340 41.5800 N.ar 71 TRP71 -0.2641 1135 HE1 6.4270 58.5520 41.8340 H 71 TRP71 0.1331 1136 CE2 8.4770 58.7010 41.3770 C.ar 71 TRP71 0.0269 1137 CE3 10.6080 59.7150 40.9270 C.ar 71 TRP71 -0.0528 1138 HE3 11.2080 60.5960 40.7800 H 71 TRP71 0.0624 1139 CZ2 9.0590 57.4640 41.4330 C.ar 71 TRP71 -0.0430 1140 HZ2 8.4510 56.6000 41.6560 H 71 TRP71 0.0633 1141 CZ3 11.2120 58.4580 40.9870 C.ar 71 TRP71 -0.0611 1142 HZ3 12.2810 58.3650 40.8620 H 71 TRP71 0.0618 1143 CH2 10.4330 57.3270 41.2310 C.ar 71 TRP71 -0.0602 1144 HH2 10.8960 56.3520 41.2880 H 71 TRP71 0.0618 1145 N 8.7120 65.2630 39.4690 N.am 72 SER72 -0.2436 1146 H 9.5550 64.8230 39.0990 H 72 SER72 0.1312 1147 CA 8.6390 66.7160 39.5910 C.3 72 SER72 0.1109 1148 HA 8.2820 66.9170 40.6010 H 72 SER72 0.0580 1149 C 7.6100 67.2950 38.6350 C.2 72 SER72 0.2209 1150 O 6.8730 68.2100 38.9960 O.2 72 SER72 -0.2777 1151 CB 9.9340 67.5000 39.3880 C.3 72 SER72 0.0681 1152 HB1 9.6700 68.5530 39.4920 H 72 SER72 0.0577 1153 HB2 10.3420 67.3780 38.3920 H 72 SER72 0.0577 1154 OG 10.9560 67.2940 40.3260 O.3 72 SER72 -0.3930 1155 HG 10.9920 66.3680 40.5550 H 72 SER72 0.2095 1156 N 7.5490 66.7520 37.4200 N.am 73 HIS73 -0.2452 1157 H 8.0900 65.9110 37.2190 H 73 HIS73 0.1312 1158 CA 6.7200 67.3410 36.3710 C.3 73 HIS73 0.0932 1159 HA 6.3250 68.3100 36.7550 H 73 HIS73 0.0561 1160 C 5.5310 66.4890 35.9570 C.2 73 HIS73 0.2190 1161 O 4.6110 66.9860 35.3040 O.2 73 HIS73 -0.2778 1162 CB 7.5750 67.6420 35.1450 C.3 73 HIS73 0.0146 1163 HB1 6.9370 67.7860 34.2420 H 73 HIS73 0.0348 1164 HB2 8.2120 66.7460 34.9590 H 73 HIS73 0.0348 1165 CG 8.4910 68.8020 35.3370 C.ar 73 HIS73 0.0551 1166 ND1 8.0380 70.1030 35.3960 N.ar 73 HIS73 -0.2469 1167 CD2 9.8310 68.8630 35.5110 C.ar 73 HIS73 0.0047 1168 HD2 10.5280 68.0080 35.5280 H 73 HIS73 0.0764 1169 CE1 9.0600 70.9140 35.5890 C.ar 73 HIS73 0.0737 1170 HE1 9.0050 72.0120 35.6740 H 73 HIS73 0.0963 1171 NE2 10.1620 70.1870 35.6630 N.ar 73 HIS73 -0.2539 1172 HE2 11.1040 70.5500 35.8090 H 73 HIS73 0.1339 1173 N 5.5560 65.2130 36.3250 N.am 74 ARG74 -0.2456 1174 H 6.3340 64.8740 36.8910 H 74 ARG74 0.1312 1175 CA 4.4980 64.2850 35.9400 C.3 74 ARG74 0.0879 1176 HA 4.8510 63.2940 36.2000 H 74 ARG74 0.0557 1177 C 4.3230 64.2590 34.4240 C.2 74 ARG74 0.2187 1178 O 3.2030 64.1580 33.9230 O.2 74 ARG74 -0.2778 1179 CB 3.1840 64.5880 36.6890 C.3 74 ARG74 -0.0258 1180 HB1 2.3690 63.9840 36.2880 H 74 ARG74 0.0286 1181 HB2 2.8920 65.6250 36.5260 H 74 ARG74 0.0286 1182 CG 3.2760 64.3220 38.1980 C.3 74 ARG74 -0.0154 1183 HG1 2.3890 64.7380 38.6800 H 74 ARG74 0.0299 1184 HG2 4.1260 64.8500 38.6330 H 74 ARG74 0.0299 1185 CD 3.3560 62.8270 38.5270 C.3 74 ARG74 0.1045 1186 HD1 4.2620 62.3740 38.1380 H 74 ARG74 0.0711 1187 HD2 2.4920 62.2900 38.1300 H 74 ARG74 0.0711 1188 NE 3.3370 62.6640 39.9650 N.pl3 74 ARG74 -0.4450 1189 HE 3.0270 63.4330 40.5320 H 74 ARG74 0.3153 1190 CZ 3.6810 61.5890 40.6550 C.cat 74 ARG74 0.5062 1191 NH1 4.1840 60.5350 40.0810 N.pl3 74 ARG74 -0.4573 1192 HH11 4.3750 59.7500 40.6830 H 74 ARG74 0.3114 1193 HH12 4.3750 60.5170 39.1090 H 74 ARG74 0.3114 1194 NH2 3.5170 61.5730 41.9400 N.pl3 74 ARG74 -0.4573 1195 HH21 3.7070 60.7310 42.4520 H 74 ARG74 0.3114 1196 HH22 3.1940 62.4090 42.4000 H 74 ARG74 0.3114 1197 N 5.4370 64.3550 33.7000 N.am 75 SER75 -0.2436 1198 H 6.3370 64.4100 34.1770 H 75 SER75 0.1312 1199 CA 5.4010 64.3840 32.2410 C.3 75 SER75 0.1109 1200 HA 4.6490 65.1270 31.9760 H 75 SER75 0.0580 1201 C 4.8950 63.0530 31.7020 C.2 75 SER75 0.2209 1202 O 3.9780 63.0020 30.8920 O.2 75 SER75 -0.2777 1203 CB 6.7230 64.8830 31.6550 C.3 75 SER75 0.0681 1204 HB1 6.8100 65.9520 31.8930 H 75 SER75 0.0577 1205 HB2 6.6920 64.8040 30.5650 H 75 SER75 0.0577 1206 OG 7.8300 64.1610 32.1730 O.3 75 SER75 -0.3930 1207 HG 8.6430 64.6180 31.9690 H 75 SER75 0.2095 1208 N 5.4960 61.9620 32.1490 N.am 76 TYR76 -0.2453 1209 H 6.2930 62.0360 32.7820 H 76 TYR76 0.1312 1210 CA 5.0110 60.6610 31.7310 C.3 76 TYR76 0.0917 1211 HA 4.1100 60.7760 31.1570 H 76 TYR76 0.0560 1212 C 4.5660 59.8430 32.9340 C.2 76 TYR76 0.2190 1213 O 4.5510 60.3320 34.0640 O.2 76 TYR76 -0.2778 1214 CB 6.0710 59.9590 30.8570 C.3 76 TYR76 -0.0036 1215 HB1 6.3520 60.6190 30.0360 H 76 TYR76 0.0333 1216 HB2 5.6380 59.0750 30.3860 H 76 TYR76 0.0333 1217 CG 7.3250 59.5580 31.5950 C.ar 76 TYR76 -0.0453 1218 CD1 8.3660 60.4640 31.7860 C.ar 76 TYR76 -0.0561 1219 HD1 8.2740 61.4820 31.4350 H 76 TYR76 0.0621 1220 CD2 7.4840 58.2500 32.0450 C.ar 76 TYR76 -0.0561 1221 HD2 6.6990 57.5260 31.8900 H 76 TYR76 0.0621 1222 CE1 9.5380 60.0650 32.4180 C.ar 76 TYR76 -0.0317 1223 HE1 10.3500 60.7610 32.5620 H 76 TYR76 0.0643 1224 CE2 8.6520 57.8520 32.6810 C.ar 76 TYR76 -0.0317 1225 HE2 8.7650 56.8330 33.0210 H 76 TYR76 0.0643 1226 CZ 9.6820 58.7600 32.8640 C.ar 76 TYR76 0.0726 1227 OH 10.8550 58.3680 33.4720 O.3 76 TYR76 -0.3598 1228 HH 10.7290 57.5430 33.9210 H 76 TYR76 0.2173 1229 N 4.1780 58.6020 32.6790 N.am 77 LYS77 -0.2456 1230 H 4.1650 58.2730 31.7140 H 77 LYS77 0.1312 1231 CA 3.7710 57.7000 33.7400 C.3 77 LYS77 0.0878 1232 HA 3.9470 58.1570 34.7160 H 77 LYS77 0.0557 1233 C 4.6030 56.4330 33.6570 C.2 77 LYS77 0.2187 1234 O 4.9100 55.9620 32.5650 O.2 77 LYS77 -0.2778 1235 CB 2.3040 57.2220 33.6190 C.3 77 LYS77 -0.0289 1236 HB1 2.1690 56.3500 34.2630 H 77 LYS77 0.0285 1237 HB2 2.1290 56.8570 32.6070 H 77 LYS77 0.0285 1238 CG 1.1950 58.2140 34.0160 C.3 77 LYS77 -0.0496 1239 HG1 1.1010 58.9710 33.2410 H 77 LYS77 0.0266 1240 HG2 1.4780 58.7490 34.9230 H 77 LYS77 0.0266 1241 CD -0.1540 57.4790 34.2520 C.3 77 LYS77 -0.0278 1242 HD1 -0.2740 57.2870 35.3180 H 77 LYS77 0.0282 1243 HD2 -0.1030 56.4880 33.8020 H 77 LYS77 0.0282 1244 CE -1.4090 58.1940 33.7070 C.3 77 LYS77 0.1103 1245 HE1 -1.1250 59.1300 33.2240 H 77 LYS77 0.0559 1246 HE2 -2.1010 58.4570 34.5080 H 77 LYS77 0.0559 1247 NZ -2.1430 57.4050 32.7100 N.4 77 LYS77 -0.0749 1248 HZ1 -2.7770 56.7040 33.1290 H 77 LYS77 0.2742 1249 HZ2 -1.4570 56.9420 32.0740 H 77 LYS77 0.2742 1250 HZ3 -2.6280 58.0400 32.0390 H 77 LYS77 0.2742 1251 N 4.9670 55.8840 34.8110 N.am 78 ALA78 -0.2459 1252 H 4.6280 56.2860 35.6850 H 78 ALA78 0.1312 1253 CA 5.8410 54.7190 34.8540 C.3 78 ALA78 0.0850 1254 HA 6.1050 54.4140 33.8420 H 78 ALA78 0.0554 1255 C 5.1890 53.5430 35.5700 C.2 78 ALA78 0.2184 1256 O 4.5950 53.7040 36.6360 O.2 78 ALA78 -0.2778 1257 CB 7.1160 55.1150 35.6100 C.3 78 ALA78 -0.0411 1258 HB1 7.8010 54.2730 35.7160 H 78 ALA78 0.0249 1259 HB2 6.8860 55.4790 36.6120 H 78 ALA78 0.0249 1260 HB3 7.6480 55.9100 35.0860 H 78 ALA78 0.0249 1261 N 5.3080 52.3590 34.9750 N.am 79 ARG79 -0.2457 1262 H 5.7670 52.3060 34.0660 H 79 ARG79 0.1312 1263 CA 4.8010 51.1360 35.5850 C.3 79 ARG79 0.0879 1264 HA 3.8000 51.3780 35.9480 H 79 ARG79 0.0557 1265 C 5.6610 50.7770 36.7970 C.2 79 ARG79 0.2187 1266 O 6.7570 51.3140 36.9660 O.2 79 ARG79 -0.2778 1267 CB 4.6860 50.0030 34.5410 C.3 79 ARG79 -0.0258 1268 HB1 5.6780 49.6760 34.2280 H 79 ARG79 0.0286 1269 HB2 4.2150 50.4150 33.6490 H 79 ARG79 0.0286 1270 CG 3.8530 48.7960 35.0320 C.3 79 ARG79 -0.0154 1271 HG1 3.1180 49.1410 35.7600 H 79 ARG79 0.0299 1272 HG2 4.4930 48.0950 35.5640 H 79 ARG79 0.0299 1273 CD 3.0770 48.0500 33.9330 C.3 79 ARG79 0.1045 1274 HD1 2.3620 48.7250 33.4550 H 79 ARG79 0.0711 1275 HD2 2.4950 47.2200 34.3390 H 79 ARG79 0.0711 1276 NE 3.9600 47.5720 32.8710 N.pl3 79 ARG79 -0.4450 1277 HE 4.2550 48.2330 32.1820 H 79 ARG79 0.3153 1278 CZ 4.4140 46.3340 32.6870 C.cat 79 ARG79 0.5062 1279 NH1 4.1290 45.3650 33.5150 N.pl3 79 ARG79 -0.4573 1280 HH11 4.4790 44.4460 33.3490 H 79 ARG79 0.3114 1281 HH12 3.5560 45.5460 34.3090 H 79 ARG79 0.3114 1282 NH2 5.1620 46.0850 31.6450 N.pl3 79 ARG79 -0.4573 1283 HH21 5.5300 45.1750 31.4720 H 79 ARG79 0.3114 1284 HH22 5.3660 46.8250 31.0010 H 79 ARG79 0.3114 1285 N 5.1590 49.8710 37.6320 N.am 80 LEU80 -0.2456 1286 H 4.2980 49.3890 37.3730 H 80 LEU80 0.1312 1287 CA 5.7960 49.5380 38.9120 C.3 80 LEU80 0.0883 1288 HA 5.7730 50.4760 39.4670 H 80 LEU80 0.0557 1289 C 7.2830 49.1290 38.8550 C.2 80 LEU80 0.2214 1290 O 8.0650 49.5770 39.6970 O.2 80 LEU80 -0.2776 1291 CB 4.9460 48.5170 39.6910 C.3 80 LEU80 -0.0266 1292 HB1 4.8480 47.5980 39.1150 H 80 LEU80 0.0287 1293 HB2 3.9340 48.9100 39.7930 H 80 LEU80 0.0287 1294 CG 5.4880 48.1650 41.0940 C.3 80 LEU80 -0.0449 1295 HG 6.4780 47.7200 40.9860 H 80 LEU80 0.0296 1296 CD1 5.6290 49.4000 41.9970 C.3 80 LEU80 -0.0626 1297 HD11 5.9740 49.1160 42.9910 H 80 LEU80 0.0232 1298 HD12 4.6760 49.9170 42.1110 H 80 LEU80 0.0232 1299 HD13 6.3540 50.1120 41.6030 H 80 LEU80 0.0232 1300 CD2 4.5980 47.1110 41.7640 C.3 80 LEU80 -0.0626 1301 HD21 4.9980 46.8240 42.7370 H 80 LEU80 0.0232 1302 HD22 4.5310 46.2080 41.1570 H 80 LEU80 0.0232 1303 HD23 3.5870 47.4880 41.9180 H 80 LEU80 0.0232 1304 N 7.6810 48.2710 37.8910 N.am 81 PRO81 -0.2316 1305 CA 9.1040 47.9080 37.8680 C.3 81 PRO81 0.0907 1306 HA 9.3330 47.4230 38.8190 H 81 PRO81 0.0559 1307 C 10.0330 49.1050 37.6640 C.2 81 PRO81 0.2189 1308 O 11.0170 49.2520 38.3930 O.2 81 PRO81 -0.2778 1309 CB 9.1910 46.9100 36.7000 C.3 81 PRO81 -0.0276 1310 HB1 9.8720 46.0860 36.9150 H 81 PRO81 0.0285 1311 HB2 9.5480 47.3920 35.7890 H 81 PRO81 0.0285 1312 CG 7.7560 46.4330 36.4710 C.3 81 PRO81 -0.0379 1313 HG1 7.5490 45.5930 37.1350 H 81 PRO81 0.0278 1314 HG2 7.5800 46.1000 35.4480 H 81 PRO81 0.0278 1315 CD 6.8780 47.6180 36.8690 C.3 81 PRO81 0.0071 1316 HD1 6.7620 48.3260 36.0490 H 81 PRO81 0.0431 1317 HD2 5.9150 47.3080 37.2710 H 81 PRO81 0.0431 1318 N 9.7140 49.9480 36.6870 N.am 82 LEU82 -0.2456 1319 H 8.8910 49.7560 36.1150 H 82 LEU82 0.1312 1320 CA 10.5070 51.1410 36.4090 C.3 82 LEU82 0.0880 1321 HA 11.5330 50.8140 36.2350 H 82 LEU82 0.0557 1322 C 10.5080 52.0910 37.6020 C.2 82 LEU82 0.2187 1323 O 11.5260 52.7170 37.9060 O.2 82 LEU82 -0.2778 1324 CB 9.9340 51.8150 35.1460 C.3 82 LEU82 -0.0266 1325 HB1 8.8490 51.8880 35.2460 H 82 LEU82 0.0287 1326 HB2 10.1130 51.1540 34.2990 H 82 LEU82 0.0287 1327 CG 10.4860 53.2170 34.8140 C.3 82 LEU82 -0.0449 1328 HG 10.2310 53.8880 35.6340 H 82 LEU82 0.0296 1329 CD1 12.0130 53.2260 34.6580 C.3 82 LEU82 -0.0626 1330 HD11 12.3860 54.2320 34.4680 H 82 LEU82 0.0232 1331 HD12 12.3240 52.6040 33.8240 H 82 LEU82 0.0232 1332 HD13 12.5150 52.8560 35.5510 H 82 LEU82 0.0232 1333 CD2 9.8180 53.7730 33.5490 C.3 82 LEU82 -0.0626 1334 HD21 10.1600 54.7860 33.3370 H 82 LEU82 0.0232 1335 HD22 8.7330 53.8020 33.6470 H 82 LEU82 0.0232 1336 HD23 10.0500 53.1550 32.6830 H 82 LEU82 0.0232 1337 N 9.3610 52.1900 38.2700 N.am 83 ARG83 -0.2457 1338 H 8.5400 51.6990 37.9150 H 83 ARG83 0.1312 1339 CA 9.2380 52.9760 39.4910 C.3 83 ARG83 0.0879 1340 HA 9.4690 54.0050 39.2080 H 83 ARG83 0.0557 1341 C 10.3030 52.5750 40.5070 C.2 83 ARG83 0.2187 1342 O 10.9910 53.4280 41.0700 O.2 83 ARG83 -0.2778 1343 CB 7.8160 52.9200 40.0640 C.3 83 ARG83 -0.0258 1344 HB1 7.8250 53.2890 41.0890 H 83 ARG83 0.0286 1345 HB2 7.4740 51.8890 40.1170 H 83 ARG83 0.0286 1346 CG 6.8200 53.7800 39.2690 C.3 83 ARG83 -0.0154 1347 HG1 6.8150 53.4800 38.2220 H 83 ARG83 0.0299 1348 HG2 7.1640 54.8160 39.2780 H 83 ARG83 0.0299 1349 CD 5.3950 53.7000 39.8380 C.3 83 ARG83 0.1045 1350 HD1 5.3840 53.1490 40.7820 H 83 ARG83 0.0711 1351 HD2 4.7170 53.1740 39.1630 H 83 ARG83 0.0711 1352 NE 4.8820 55.0320 40.1590 N.pl3 83 ARG83 -0.4450 1353 HE 5.2600 55.5560 40.9320 H 83 ARG83 0.3153 1354 CZ 3.9070 55.6950 39.5510 C.cat 83 ARG83 0.5062 1355 NH1 3.3180 55.2300 38.4860 N.pl3 83 ARG83 -0.4573 1356 HH11 2.5430 55.7100 38.0920 H 83 ARG83 0.3114 1357 HH12 3.6630 54.3880 38.0760 H 83 ARG83 0.3114 1358 NH2 3.5210 56.8400 40.0270 N.pl3 83 ARG83 -0.4573 1359 HH21 2.7840 57.3770 39.6410 H 83 ARG83 0.3114 1360 HH22 4.0000 57.1940 40.8460 H 83 ARG83 0.3114 1361 N 10.4350 51.2700 40.7290 N.am 84 LEU84 -0.2456 1362 H 9.8240 50.6200 40.2340 H 84 LEU84 0.1312 1363 CA 11.4260 50.7390 41.6580 C.3 84 LEU84 0.0880 1364 HA 11.2510 51.2320 42.6110 H 84 LEU84 0.0557 1365 C 12.8450 51.0630 41.2190 C.2 84 LEU84 0.2187 1366 O 13.6960 51.3910 42.0420 O.2 84 LEU84 -0.2778 1367 CB 11.2040 49.2270 41.8250 C.3 84 LEU84 -0.0266 1368 HB1 11.9900 48.8020 42.4520 H 84 LEU84 0.0287 1369 HB2 11.3030 48.7460 40.8520 H 84 LEU84 0.0287 1370 CG 9.8300 48.8740 42.4320 C.3 84 LEU84 -0.0449 1371 HG 9.0520 49.4040 41.8860 H 84 LEU84 0.0296 1372 CD1 9.5350 47.3770 42.2800 C.3 84 LEU84 -0.0626 1373 HD11 8.5490 47.1300 42.6730 H 84 LEU84 0.0232 1374 HD12 10.2700 46.7740 42.8140 H 84 LEU84 0.0232 1375 HD13 9.5550 47.0790 41.2320 H 84 LEU84 0.0232 1376 CD2 9.7210 49.3000 43.9030 C.3 84 LEU84 -0.0626 1377 HD21 8.7570 49.0090 44.3220 H 84 LEU84 0.0232 1378 HD22 9.8070 50.3800 44.0180 H 84 LEU84 0.0232 1379 HD23 10.5010 48.8340 44.5070 H 84 LEU84 0.0232 1380 N 13.1000 50.9610 39.9200 N.am 85 PHE85 -0.2453 1381 H 12.3600 50.6620 39.2840 H 85 PHE85 0.1312 1382 CA 14.4180 51.2690 39.3910 C.3 85 PHE85 0.0917 1383 HA 15.1370 50.6340 39.9110 H 85 PHE85 0.0560 1384 C 14.7960 52.7240 39.6520 C.2 85 PHE85 0.2190 1385 O 15.9030 53.0130 40.1020 O.2 85 PHE85 -0.2778 1386 CB 14.4360 50.9720 37.8770 C.3 85 PHE85 -0.0036 1387 HB1 13.5660 51.4200 37.3980 H 85 PHE85 0.0333 1388 HB2 14.3470 49.8980 37.7130 H 85 PHE85 0.0333 1389 CG 15.6800 51.4790 37.1860 C.ar 85 PHE85 -0.0454 1390 CD1 16.8830 50.7900 37.2950 C.ar 85 PHE85 -0.0585 1391 HD1 16.9280 49.8690 37.8590 H 85 PHE85 0.0620 1392 CD2 15.6520 52.6750 36.4720 C.ar 85 PHE85 -0.0585 1393 HD2 14.7330 53.2360 36.3920 H 85 PHE85 0.0620 1394 CE1 18.0380 51.2870 36.7030 C.ar 85 PHE85 -0.0615 1395 HE1 18.9700 50.7500 36.8020 H 85 PHE85 0.0618 1396 CE2 16.8060 53.1790 35.8850 C.ar 85 PHE85 -0.0615 1397 HE2 16.7760 54.1160 35.3470 H 85 PHE85 0.0618 1398 CZ 18.0000 52.4820 35.9970 C.ar 85 PHE85 -0.0617 1399 HZ 18.9000 52.8750 35.5470 H 85 PHE85 0.0618 1400 N 13.8690 53.6340 39.3740 N.am 86 LEU86 -0.2456 1401 H 12.9460 53.3270 39.0690 H 86 LEU86 0.1312 1402 CA 14.1410 55.0620 39.4950 C.3 86 LEU86 0.0880 1403 HA 15.0860 55.2550 38.9890 H 86 LEU86 0.0557 1404 C 14.2900 55.5200 40.9440 C.2 86 LEU86 0.2187 1405 O 15.1240 56.3750 41.2480 O.2 86 LEU86 -0.2778 1406 CB 13.0050 55.8440 38.8110 C.3 86 LEU86 -0.0266 1407 HB1 13.1110 56.9120 39.0080 H 86 LEU86 0.0287 1408 HB2 12.0590 55.5450 39.2640 H 86 LEU86 0.0287 1409 CG 12.9230 55.6320 37.2870 C.3 86 LEU86 -0.0449 1410 HG 12.9450 54.5640 37.0810 H 86 LEU86 0.0296 1411 CD1 11.5960 56.1700 36.7380 C.3 86 LEU86 -0.0626 1412 HD11 11.5190 56.0190 35.6620 H 86 LEU86 0.0232 1413 HD12 11.4930 57.2370 36.9270 H 86 LEU86 0.0232 1414 HD13 10.7500 55.6650 37.2060 H 86 LEU86 0.0232 1415 CD2 14.1090 56.2740 36.5530 C.3 86 LEU86 -0.0626 1416 HD21 14.0230 56.1360 35.4750 H 86 LEU86 0.0232 1417 HD22 15.0600 55.8390 36.8590 H 86 LEU86 0.0232 1418 HD23 14.1560 57.3440 36.7490 H 86 LEU86 0.0232 1419 N 13.4830 54.9500 41.8340 N.am 87 ILE87 -0.2454 1420 H 12.8300 54.2270 41.5300 H 87 ILE87 0.1312 1421 CA 13.5170 55.3420 43.2370 C.3 87 ILE87 0.0903 1422 HA 13.5580 56.4320 43.2480 H 87 ILE87 0.0560 1423 C 14.7870 54.8270 43.9160 C.2 87 ILE87 0.2189 1424 O 15.2910 55.4420 44.8580 O.2 87 ILE87 -0.2778 1425 CB 12.2180 54.8680 43.9390 C.3 87 ILE87 -0.0201 1426 HB 11.3870 55.0680 43.2610 H 87 ILE87 0.0318 1427 CG1 11.9150 55.6150 45.2460 C.3 87 ILE87 -0.0514 1428 HG11 12.7610 55.5110 45.9180 H 87 ILE87 0.0266 1429 HG12 11.0910 55.1270 45.7620 H 87 ILE87 0.0266 1430 CG2 12.2220 53.3630 44.2100 C.3 87 ILE87 -0.0605 1431 HG21 11.2620 53.0250 44.5900 H 87 ILE87 0.0233 1432 HG22 12.9810 53.0780 44.9390 H 87 ILE87 0.0233 1433 HG23 12.4210 52.8340 43.2900 H 87 ILE87 0.0233 1434 CD1 11.5330 57.0850 45.0380 C.3 87 ILE87 -0.0650 1435 HD11 11.2530 57.5510 45.9830 H 87 ILE87 0.0230 1436 HD12 10.6830 57.1810 44.3630 H 87 ILE87 0.0230 1437 HD13 12.3600 57.6580 44.6220 H 87 ILE87 0.0230 1438 N 15.3080 53.7050 43.4300 N.am 88 ILE88 -0.2454 1439 H 14.8090 53.1980 42.6990 H 88 ILE88 0.1312 1440 CA 16.5770 53.1840 43.9190 C.3 88 ILE88 0.0903 1441 HA 16.5940 53.3010 45.0030 H 88 ILE88 0.0560 1442 C 17.7090 54.0190 43.3390 C.2 88 ILE88 0.2189 1443 O 18.6700 54.3610 44.0290 O.2 88 ILE88 -0.2778 1444 CB 16.7000 51.6870 43.5560 C.3 88 ILE88 -0.0201 1445 HB 16.4840 51.5850 42.4900 H 88 ILE88 0.0318 1446 CG1 15.6620 50.8560 44.3370 C.3 88 ILE88 -0.0514 1447 HG11 14.6890 51.3440 44.3040 H 88 ILE88 0.0266 1448 HG12 15.9370 50.8220 45.3920 H 88 ILE88 0.0266 1449 CG2 18.1220 51.1450 43.8030 C.3 88 ILE88 -0.0605 1450 HG21 18.1950 50.0830 43.5710 H 88 ILE88 0.0233 1451 HG22 18.4200 51.2830 44.8420 H 88 ILE88 0.0233 1452 HG23 18.8590 51.6500 43.1780 H 88 ILE88 0.0233 1453 CD1 15.4910 49.4290 43.8020 C.3 88 ILE88 -0.0650 1454 HD11 14.6830 48.9160 44.3220 H 88 ILE88 0.0230 1455 HD12 16.3950 48.8360 43.9370 H 88 ILE88 0.0230 1456 HD13 15.2490 49.4330 42.7390 H 88 ILE88 0.0230 1457 N 17.5770 54.3580 42.0630 N.am 89 ALA89 -0.2459 1458 H 16.7540 54.0460 41.5470 H 89 ALA89 0.1312 1459 CA 18.5750 55.1620 41.3850 C.3 89 ALA89 0.0850 1460 HA 19.5440 54.6710 41.4910 H 89 ALA89 0.0554 1461 C 18.6490 56.5590 41.9900 C.2 89 ALA89 0.2184 1462 O 19.7280 57.1380 42.0850 O.2 89 ALA89 -0.2778 1463 CB 18.1490 55.2400 39.9200 C.3 89 ALA89 -0.0411 1464 HB1 18.7410 55.9690 39.3830 H 89 ALA89 0.0249 1465 HB2 17.1100 55.5500 39.8280 H 89 ALA89 0.0249 1466 HB3 18.2540 54.2760 39.4230 H 89 ALA89 0.0249 1467 N 17.5060 57.0920 42.4090 N.am 90 ASN90 -0.2452 1468 H 16.6360 56.5740 42.2880 H 90 ASN90 0.1312 1469 CA 17.4770 58.4060 43.0390 C.3 90 ASN90 0.0957 1470 HA 18.0310 59.0660 42.3670 H 90 ASN90 0.0562 1471 C 18.2030 58.4060 44.3790 C.2 90 ASN90 0.2192 1472 O 18.7310 59.4330 44.8130 O.2 90 ASN90 -0.2778 1473 CB 16.0450 58.9410 43.1970 C.3 90 ASN90 0.0446 1474 HB1 15.4920 58.4020 43.9670 H 90 ASN90 0.0375 1475 HB2 15.4950 58.8300 42.2630 H 90 ASN90 0.0375 1476 CG 16.1070 60.4430 43.5290 C.2 90 ASN90 0.2000 1477 OD1 16.4900 61.2560 42.6990 O.2 90 ASN90 -0.2797 1478 ND2 15.7310 60.7630 44.7760 N.am 90 ASN90 -0.2723 1479 HD21 15.7720 61.7180 45.0710 H 90 ASN90 0.1266 1480 HD22 15.4080 60.0850 45.4370 H 90 ASN90 0.1266 1481 N 18.2170 57.2530 45.0380 N.am 91 THR91 -0.2434 1482 H 17.7170 56.4500 44.6560 H 91 THR91 0.1313 1483 CA 18.9340 57.1180 46.2950 C.3 91 THR91 0.1135 1484 HA 18.7910 58.0530 46.8420 H 91 THR91 0.0583 1485 C 20.4300 57.0050 46.0320 C.2 91 THR91 0.2212 1486 O 21.2460 57.4440 46.8410 O.2 91 THR91 -0.2777 1487 CB 18.4360 55.9780 47.2130 C.3 91 THR91 0.0763 1488 HB 19.0770 55.9740 48.1010 H 91 THR91 0.0611 1489 OG1 18.5750 54.7230 46.5770 O.3 91 THR91 -0.3900 1490 HG1 18.0500 54.0670 47.0200 H 91 THR91 0.2098 1491 CG2 16.9940 56.2070 47.6860 C.3 91 THR91 -0.0370 1492 HG21 16.6950 55.5080 48.4680 H 91 THR91 0.0255 1493 HG22 16.3010 56.1050 46.8600 H 91 THR91 0.0255 1494 HG23 16.8750 57.2010 48.1000 H 91 THR91 0.0255 1495 N 20.7830 56.4120 44.8940 N.am 92 MET92 -0.2456 1496 H 20.0580 56.0220 44.2910 H 92 MET92 0.1312 1497 CA 22.1790 56.3050 44.4860 C.3 92 MET92 0.0886 1498 HA 22.7210 55.8540 45.3190 H 92 MET92 0.0557 1499 C 22.7870 57.6700 44.2250 C.2 92 MET92 0.2187 1500 O 24.0010 57.8480 44.3000 O.2 92 MET92 -0.2778 1501 CB 22.3190 55.4220 43.2350 C.3 92 MET92 -0.0199 1502 HB1 23.3440 55.4630 42.8650 H 92 MET92 0.0293 1503 HB2 21.6960 55.8070 42.4300 H 92 MET92 0.0293 1504 CG 21.9710 53.9540 43.4930 C.3 92 MET92 -0.0047 1505 HG1 20.9780 53.8430 43.9220 H 92 MET92 0.0377 1506 HG2 22.6590 53.5270 44.2220 H 92 MET92 0.0377 1507 SD 22.0610 52.9920 41.9730 S.3 92 MET92 -0.1641 1508 CE 21.7780 51.3550 42.6750 C.3 92 MET92 -0.0181 1509 HE1 22.7230 50.8270 42.8060 H 92 MET92 0.0340 1510 HE2 21.1470 50.7740 42.0040 H 92 MET92 0.0340 1511 HE3 21.2630 51.4230 43.6330 H 92 MET92 0.0340 1512 N 21.9310 58.6320 43.9070 N.am 93 ALA93 -0.2459 1513 H 20.9300 58.4530 43.9860 H 93 ALA93 0.1312 1514 CA 22.3830 59.9350 43.4490 C.3 93 ALA93 0.0850 1515 HA 23.3470 59.8370 42.9490 H 93 ALA93 0.0554 1516 C 22.5060 60.9470 44.5770 C.2 93 ALA93 0.2184 1517 O 23.0710 62.0200 44.3780 O.2 93 ALA93 -0.2778 1518 CB 21.3190 60.4310 42.4670 C.3 93 ALA93 -0.0411 1519 HB1 21.5380 61.4420 42.1420 H 93 ALA93 0.0249 1520 HB2 20.3280 60.4430 42.9230 H 93 ALA93 0.0249 1521 HB3 21.2670 59.7890 41.5900 H 93 ALA93 0.0249 1522 N 21.9780 60.5840 45.7480 N.am 94 PHE94 -0.2453 1523 H 21.5380 59.6660 45.8050 H 94 PHE94 0.1312 1524 CA 21.9860 61.4130 46.9610 C.3 94 PHE94 0.0917 1525 HA 21.0580 61.1310 47.4560 H 94 PHE94 0.0560 1526 C 21.8900 62.9170 46.6900 C.2 94 PHE94 0.2190 1527 O 22.7650 63.7020 47.0630 O.2 94 PHE94 -0.2778 1528 CB 23.1710 61.0170 47.8620 C.3 94 PHE94 -0.0036 1529 HB1 24.0960 61.1890 47.3130 H 94 PHE94 0.0333 1530 HB2 23.1270 59.9470 48.0700 H 94 PHE94 0.0333 1531 CG 23.2460 61.7500 49.1850 C.ar 94 PHE94 -0.0454 1532 CD1 22.1090 62.2330 49.8330 C.ar 94 PHE94 -0.0585 1533 HD1 21.1250 62.0680 49.4210 H 94 PHE94 0.0620 1534 CD2 24.4880 61.9880 49.7630 C.ar 94 PHE94 -0.0585 1535 HD2 25.3820 61.6240 49.2790 H 94 PHE94 0.0620 1536 CE1 22.2200 62.9770 51.0000 C.ar 94 PHE94 -0.0615 1537 HE1 21.3310 63.3660 51.4750 H 94 PHE94 0.0618 1538 CE2 24.6030 62.7160 50.9390 C.ar 94 PHE94 -0.0615 1539 HE2 25.5770 62.9000 51.3670 H 94 PHE94 0.0618 1540 CZ 23.4670 63.2180 51.5570 C.ar 94 PHE94 -0.0617 1541 HZ 23.5530 63.7960 52.4650 H 94 PHE94 0.0618 1542 N 20.8280 63.3020 46.0060 N.am 95 GLN95 -0.2456 1543 H 20.3540 62.6410 45.3910 H 95 GLN95 0.1312 1544 CA 20.3340 64.6520 46.1230 C.3 95 GLN95 0.0882 1545 HA 21.0800 65.2900 46.5990 H 95 GLN95 0.0557 1546 C 19.1650 64.4770 47.0660 C.2 95 GLN95 0.2187 1547 O 18.8180 63.3360 47.3730 O.2 95 GLN95 -0.2778 1548 CB 20.0170 65.1520 44.7010 C.3 95 GLN95 -0.0210 1549 HB1 19.7510 66.2100 44.7380 H 95 GLN95 0.0289 1550 HB2 19.1520 64.6250 44.2940 H 95 GLN95 0.0289 1551 CG 21.2390 64.9250 43.7780 C.3 95 GLN95 0.0225 1552 HG1 21.3890 63.8610 43.5970 H 95 GLN95 0.0356 1553 HG2 22.1430 65.2900 44.2670 H 95 GLN95 0.0356 1554 CD 21.1420 65.5910 42.4010 C.2 95 GLN95 0.1981 1555 OE1 20.0860 65.9830 41.9280 O.2 95 GLN95 -0.2798 1556 NE2 22.3330 65.6900 41.7880 N.am 95 GLN95 -0.2724 1557 HE21 22.3910 66.0900 40.8750 H 95 GLN95 0.1266 1558 HE22 23.1700 65.3690 42.2280 H 95 GLN95 0.1266 1559 N 18.5760 65.5650 47.5490 N.am 96 ASN96 -0.2452 1560 H 18.8970 66.4870 47.2550 H 96 ASN96 0.1312 1561 CA 17.4720 65.4500 48.4990 C.3 96 ASN96 0.0957 1562 HA 17.8920 65.0760 49.4340 H 96 ASN96 0.0562 1563 C 16.4010 64.4810 47.9920 C.2 96 ASN96 0.2191 1564 O 16.2490 64.3040 46.7810 O.2 96 ASN96 -0.2778 1565 CB 16.8370 66.8460 48.6970 C.3 96 ASN96 0.0446 1566 HB1 16.1380 66.8360 49.5340 H 96 ASN96 0.0375 1567 HB2 16.2640 67.1370 47.8160 H 96 ASN96 0.0375 1568 CG 17.8970 67.9440 48.9270 C.2 96 ASN96 0.2000 1569 OD1 18.6380 68.3270 48.0300 O.2 96 ASN96 -0.2797 1570 ND2 17.9310 68.4300 50.1690 N.am 96 ASN96 -0.2723 1571 HD21 18.5820 69.1370 50.4340 H 96 ASN96 0.1266 1572 HD22 17.2750 68.1170 50.8590 H 96 ASN96 0.1266 1573 N 15.6890 63.8370 48.9130 N.am 97 ASP97 -0.2451 1574 H 15.8510 64.0420 49.8990 H 97 ASP97 0.1312 1575 CA 14.6800 62.8430 48.5500 C.3 97 ASP97 0.0974 1576 HA 15.2210 62.0240 48.0740 H 97 ASP97 0.0563 1577 C 13.6940 63.3850 47.5170 C.2 97 ASP97 0.2192 1578 O 13.5090 64.5990 47.4070 O.2 97 ASP97 -0.2778 1579 CB 14.0080 62.3180 49.8430 C.3 97 ASP97 0.0576 1580 HB1 14.2410 62.9770 50.6800 H 97 ASP97 0.0394 1581 HB2 14.4170 61.3470 50.1070 H 97 ASP97 0.0394 1582 CG 12.4800 62.1670 49.7940 C.2 97 ASP97 0.1780 1583 OD1 11.9800 61.2470 49.1570 O.co2 97 ASP97 -0.6478 1584 OD2 11.8000 62.9800 50.3980 O.co2 97 ASP97 -0.6478 1585 N 13.0820 62.4790 46.7570 N.am 98 VAL98 -0.2454 1586 H 13.2140 61.4910 46.9710 H 98 VAL98 0.1312 1587 CA 12.2290 62.8450 45.6280 C.3 98 VAL98 0.0901 1588 HA 12.8850 63.2890 44.8790 H 98 VAL98 0.0560 1589 C 11.1870 63.8920 46.0080 C.2 98 VAL98 0.2189 1590 O 10.9290 64.8220 45.2450 O.2 98 VAL98 -0.2778 1591 CB 11.5270 61.5870 45.0540 C.3 98 VAL98 -0.0227 1592 HB 11.0480 61.0650 45.8850 H 98 VAL98 0.0315 1593 CG1 10.4280 61.9100 44.0220 C.3 98 VAL98 -0.0608 1594 HG11 9.9810 60.9920 43.6420 H 98 VAL98 0.0233 1595 HG12 10.8310 62.4650 43.1740 H 98 VAL98 0.0233 1596 HG13 9.6140 62.4930 44.4540 H 98 VAL98 0.0233 1597 CG2 12.5300 60.6190 44.4170 C.3 98 VAL98 -0.0608 1598 HG21 12.0180 59.7790 43.9490 H 98 VAL98 0.0233 1599 HG22 13.2080 60.2100 45.1610 H 98 VAL98 0.0233 1600 HG23 13.1220 61.1130 43.6460 H 98 VAL98 0.0233 1601 N 10.6140 63.7530 47.2000 N.am 99 TYR99 -0.2453 1602 H 10.8710 62.9590 47.7860 H 99 TYR99 0.1312 1603 CA 9.6270 64.7080 47.6910 C.3 99 TYR99 0.0917 1604 HA 8.8350 64.7280 46.9420 H 99 TYR99 0.0560 1605 C 10.1980 66.1230 47.7790 C.2 99 TYR99 0.2190 1606 O 9.6440 67.0590 47.2040 O.2 99 TYR99 -0.2778 1607 CB 9.0280 64.2570 49.0240 C.3 99 TYR99 -0.0036 1608 HB1 9.8330 64.1390 49.7370 H 99 TYR99 0.0333 1609 HB2 8.5580 63.2780 48.9200 H 99 TYR99 0.0333 1610 CG 8.0260 65.2480 49.5630 C.ar 99 TYR99 -0.0453 1611 CD1 6.7410 65.3180 49.0340 C.ar 99 TYR99 -0.0561 1612 HD1 6.4390 64.6350 48.2540 H 99 TYR99 0.0621 1613 CD2 8.3920 66.1440 50.5650 C.ar 99 TYR99 -0.0561 1614 HD2 9.3900 66.1180 50.9800 H 99 TYR99 0.0621 1615 CE1 5.8440 66.2760 49.4920 C.ar 99 TYR99 -0.0317 1616 HE1 4.8530 66.3440 49.0730 H 99 TYR99 0.0643 1617 CE2 7.4860 67.0790 51.0440 C.ar 99 TYR99 -0.0317 1618 HE2 7.7640 67.7460 51.8470 H 99 TYR99 0.0643 1619 CZ 6.2140 67.1530 50.5000 C.ar 99 TYR99 0.0726 1620 OH 5.3310 68.1130 50.9450 O.3 99 TYR99 -0.3598 1621 HH 4.4740 67.7140 51.0970 H 99 TYR99 0.2173 1622 N 11.3020 66.2750 48.5040 N.am 100 GLU100 -0.2456 1623 H 11.7260 65.4570 48.9420 H 100 GLU100 0.1312 1624 CA 11.9230 67.5840 48.6890 C.3 100 GLU100 0.0883 1625 HA 11.1360 68.2650 49.0100 H 100 GLU100 0.0557 1626 C 12.5070 68.1180 47.3870 C.2 100 GLU100 0.2187 1627 O 12.4760 69.3230 47.1320 O.2 100 GLU100 -0.2778 1628 CB 13.0800 67.6290 49.7230 C.3 100 GLU100 -0.0193 1629 HB1 13.7480 66.7790 49.5790 H 100 GLU100 0.0290 1630 HB2 12.6690 67.5160 50.7260 H 100 GLU100 0.0290 1631 CG 13.8980 68.9550 49.5940 C.3 100 GLU100 0.0356 1632 HG1 13.2220 69.7810 49.3710 H 100 GLU100 0.0374 1633 HG2 14.5920 68.8940 48.7570 H 100 GLU100 0.0374 1634 CD 14.7210 69.4000 50.7970 C.2 100 GLU100 0.1760 1635 OE1 14.6820 70.5930 51.1120 O.co2 100 GLU100 -0.6478 1636 OE2 15.3840 68.5700 51.3980 O.co2 100 GLU100 -0.6478 1637 N 13.0430 67.2130 46.5710 N.am 101 TRP101 -0.2453 1638 H 13.0380 66.2320 46.8510 H 101 TRP101 0.1312 1639 CA 13.6370 67.5780 45.2910 C.3 101 TRP101 0.0918 1640 HA 14.4090 68.3210 45.5010 H 101 TRP101 0.0560 1641 C 12.5890 68.1740 44.3640 C.2 101 TRP101 0.2190 1642 O 12.7930 69.2400 43.7840 O.2 101 TRP101 -0.2778 1643 CB 14.2420 66.2810 44.7300 C.3 101 TRP101 -0.0021 1644 HB1 13.4830 65.6240 44.3040 H 101 TRP101 0.0334 1645 HB2 14.6990 65.7170 45.5410 H 101 TRP101 0.0334 1646 CG 15.3300 66.5570 43.7210 C.ar 101 TRP101 -0.0260 1647 CD1 16.7020 66.4960 43.9710 C.ar 101 TRP101 -0.0136 1648 HD1 17.1470 66.2690 44.9310 H 101 TRP101 0.0748 1649 CD2 15.1770 66.8600 42.3230 C.ar 101 TRP101 -0.0028 1650 NE1 17.3740 66.7280 42.8180 N.ar 101 TRP101 -0.2641 1651 HE1 18.3500 66.7210 42.7240 H 101 TRP101 0.1331 1652 CE2 16.4790 66.9350 41.7790 C.ar 101 TRP101 0.0269 1653 CE3 14.0860 67.0480 41.5210 C.ar 101 TRP101 -0.0528 1654 HE3 13.0980 66.9830 41.9470 H 101 TRP101 0.0624 1655 CZ2 16.6450 67.1670 40.4440 C.ar 101 TRP101 -0.0430 1656 HZ2 17.6440 67.2030 40.0350 H 101 TRP101 0.0633 1657 CZ3 14.2540 67.3260 40.1670 C.ar 101 TRP101 -0.0611 1658 HZ3 13.3920 67.5020 39.5490 H 101 TRP101 0.0618 1659 CH2 15.5350 67.3600 39.6220 C.ar 101 TRP101 -0.0602 1660 HH2 15.6790 67.5530 38.5710 H 101 TRP101 0.0618 1661 N 11.4650 67.4760 44.2340 N.am 102 ALA102 -0.2459 1662 H 11.3760 66.5880 44.7280 H 102 ALA102 0.1312 1663 CA 10.3560 67.9370 43.4090 C.3 102 ALA102 0.0850 1664 HA 10.7630 68.1690 42.4320 H 102 ALA102 0.0554 1665 C 9.7460 69.2200 43.9660 C.2 102 ALA102 0.2184 1666 O 9.4260 70.1350 43.2120 O.2 102 ALA102 -0.2778 1667 CB 9.3070 66.8210 43.3500 C.3 102 ALA102 -0.0411 1668 HB1 8.4260 67.1240 42.7860 H 102 ALA102 0.0249 1669 HB2 8.9800 66.5450 44.3540 H 102 ALA102 0.0249 1670 HB3 9.7150 65.9220 42.8890 H 102 ALA102 0.0249 1671 N 9.5860 69.2800 45.2860 N.am 103 ARG103 -0.2457 1672 H 9.8770 68.4860 45.8570 H 103 ARG103 0.1312 1673 CA 9.0060 70.4480 45.9410 C.3 103 ARG103 0.0879 1674 HA 7.9750 70.5660 45.6080 H 103 ARG103 0.0557 1675 C 9.8010 71.7100 45.6340 C.2 103 ARG103 0.2187 1676 O 9.2320 72.7460 45.2950 O.2 103 ARG103 -0.2778 1677 CB 9.1000 70.1460 47.4520 C.3 103 ARG103 -0.0258 1678 HB1 10.0830 69.7260 47.6600 H 103 ARG103 0.0286 1679 HB2 8.3880 69.3570 47.6990 H 103 ARG103 0.0286 1680 CG 8.9050 71.3350 48.4090 C.3 103 ARG103 -0.0154 1681 HG1 7.9180 71.7680 48.2460 H 103 ARG103 0.0299 1682 HG2 9.6260 72.1270 48.2080 H 103 ARG103 0.0299 1683 CD 9.0440 70.9110 49.8740 C.3 103 ARG103 0.1045 1684 HD1 8.4520 70.0080 50.0470 H 103 ARG103 0.0711 1685 HD2 8.6700 71.6920 50.5380 H 103 ARG103 0.0711 1686 NE 10.4450 70.6680 50.2490 N.pl3 103 ARG103 -0.4450 1687 HE 11.2210 71.0140 49.7010 H 103 ARG103 0.3153 1688 CZ 10.7450 69.9930 51.3640 C.cat 103 ARG103 0.5062 1689 NH1 9.8030 69.4940 52.1000 N.pl3 103 ARG103 -0.4573 1690 HH11 10.0470 69.0290 52.9730 H 103 ARG103 0.3114 1691 HH12 8.8400 69.5380 51.8800 H 103 ARG103 0.3114 1692 NH2 11.9640 69.8060 51.7730 N.pl3 103 ARG103 -0.4573 1693 HH21 12.0730 69.2500 52.6080 H 103 ARG103 0.3114 1694 HH22 12.7890 70.1640 51.3260 H 103 ARG103 0.3114 1695 N 11.1200 71.6150 45.7610 N.am 104 ASP104 -0.2451 1696 H 11.5290 70.7360 46.0790 H 104 ASP104 0.1312 1697 CA 11.9930 72.7380 45.4560 C.3 104 ASP104 0.0974 1698 HA 11.5170 73.6070 45.9170 H 104 ASP104 0.0563 1699 C 11.9300 73.0520 43.9760 C.2 104 ASP104 0.2192 1700 O 11.9570 74.2160 43.5740 O.2 104 ASP104 -0.2778 1701 CB 13.3430 72.5840 46.1990 C.3 104 ASP104 0.0576 1702 HB1 14.0640 73.3180 45.8420 H 104 ASP104 0.0394 1703 HB2 13.7700 71.5970 46.0250 H 104 ASP104 0.0394 1704 CG 13.1660 72.7850 47.7460 C.2 104 ASP104 0.1780 1705 OD1 12.2840 72.1740 48.3490 O.co2 104 ASP104 -0.6478 1706 OD2 13.9050 73.5610 48.3560 O.co2 104 ASP104 -0.6478 1707 N 11.8370 72.0040 43.1660 N.am 105 HIS105 -0.2453 1708 H 11.7400 71.0690 43.5620 H 105 HIS105 0.1312 1709 CA 11.8720 72.1720 41.7220 C.3 105 HIS105 0.0932 1710 HA 12.6930 72.8850 41.4780 H 105 HIS105 0.0561 1711 C 10.5680 72.7490 41.1750 C.2 105 HIS105 0.2190 1712 O 10.5790 73.5150 40.2110 O.2 105 HIS105 -0.2778 1713 CB 12.1800 70.8450 41.0340 C.3 105 HIS105 0.0146 1714 HB1 11.3610 70.1080 41.2080 H 105 HIS105 0.0348 1715 HB2 13.1010 70.4330 41.5090 H 105 HIS105 0.0348 1716 CG 12.4620 70.9910 39.5750 C.ar 105 HIS105 0.0551 1717 ND1 13.3890 71.8870 39.0880 N.ar 105 HIS105 -0.2469 1718 CD2 11.9230 70.3800 38.4950 C.ar 105 HIS105 0.0047 1719 HD2 11.1380 69.6050 38.5040 H 105 HIS105 0.0764 1720 CE1 13.4170 71.8140 37.7700 C.ar 105 HIS105 0.0737 1721 HE1 14.0640 72.4090 37.1040 H 105 HIS105 0.0963 1722 NE2 12.5380 70.9070 37.3850 N.ar 105 HIS105 -0.2539 1723 HE2 12.3460 70.6410 36.4190 H 105 HIS105 0.1339 1724 N 9.4460 72.3820 41.7880 N.am 106 ARG106 -0.2456 1725 H 9.4880 71.7010 42.5460 H 106 ARG106 0.1312 1726 CA 8.1550 72.9380 41.3930 C.3 106 ARG106 0.0879 1727 HA 8.0600 72.8310 40.3120 H 106 ARG106 0.0557 1728 C 8.0950 74.4290 41.7190 C.2 106 ARG106 0.2187 1729 O 7.3270 75.1770 41.1120 O.2 106 ARG106 -0.2778 1730 CB 7.0150 72.1560 42.1060 C.3 106 ARG106 -0.0258 1731 HB1 6.0880 72.7250 42.0380 H 106 ARG106 0.0286 1732 HB2 7.2480 72.0800 43.1690 H 106 ARG106 0.0286 1733 CG 6.7280 70.7380 41.5550 C.3 106 ARG106 -0.0154 1734 HG1 7.6330 70.1350 41.6140 H 106 ARG106 0.0299 1735 HG2 6.4830 70.8020 40.4950 H 106 ARG106 0.0299 1736 CD 5.5800 69.9970 42.2880 C.3 106 ARG106 0.1045 1737 HD1 4.6110 70.4670 42.1020 H 106 ARG106 0.0711 1738 HD2 5.7570 69.9840 43.3650 H 106 ARG106 0.0711 1739 NE 5.5250 68.5970 41.8550 N.pl3 106 ARG106 -0.4450 1740 HE 6.3190 68.1320 41.4790 H 106 ARG106 0.3153 1741 CZ 4.4760 67.7650 41.8890 C.cat 106 ARG106 0.5062 1742 NH1 3.2760 68.0840 42.2910 N.pl3 106 ARG106 -0.4573 1743 HH11 2.5710 67.3740 42.1540 H 106 ARG106 0.3114 1744 HH12 3.0140 68.9510 42.7050 H 106 ARG106 0.3114 1745 NH2 4.6500 66.5420 41.4920 N.pl3 106 ARG106 -0.4573 1746 HH21 3.8340 65.9430 41.5340 H 106 ARG106 0.3114 1747 HH22 5.5050 66.1640 41.1630 H 106 ARG106 0.3114 1748 N 8.9110 74.8530 42.6800 N.am 107 ALA107 -0.2459 1749 H 9.4640 74.1700 43.1970 H 107 ALA107 0.1312 1750 CA 9.0370 76.2670 43.0150 C.3 107 ALA107 0.0850 1751 HA 8.0780 76.7650 42.8730 H 107 ALA107 0.0554 1752 C 10.0880 76.9220 42.1290 C.2 107 ALA107 0.2184 1753 O 10.0020 78.1110 41.8190 O.2 107 ALA107 -0.2778 1754 CB 9.5290 76.4000 44.4700 C.3 107 ALA107 -0.0411 1755 HB1 9.5710 77.4460 44.7790 H 107 ALA107 0.0249 1756 HB2 10.5320 75.9900 44.5960 H 107 ALA107 0.0249 1757 HB3 8.8950 75.8750 45.1800 H 107 ALA107 0.0249 1758 N 11.0820 76.1360 41.7230 N.am 108 HIS108 -0.2453 1759 H 11.1280 75.1750 42.0610 H 108 HIS108 0.1312 1760 CA 12.1050 76.6200 40.8060 C.3 108 HIS108 0.0932 1761 HA 12.5810 77.5230 41.2560 H 108 HIS108 0.0561 1762 C 11.4930 77.0160 39.4700 C.2 108 HIS108 0.2191 1763 O 11.9520 77.9520 38.8220 O.2 108 HIS108 -0.2778 1764 CB 13.1900 75.5660 40.5810 C.3 108 HIS108 0.0146 1765 HB1 12.7360 74.5590 40.4300 H 108 HIS108 0.0348 1766 HB2 13.7990 75.5160 41.5140 H 108 HIS108 0.0348 1767 CG 14.1240 75.8970 39.4610 C.ar 108 HIS108 0.0551 1768 ND1 14.9590 76.9960 39.4840 N.ar 108 HIS108 -0.2469 1769 CD2 14.3460 75.2840 38.2720 C.ar 108 HIS108 0.0047 1770 HD2 13.8480 74.3710 37.9030 H 108 HIS108 0.0764 1771 CE1 15.6570 77.0390 38.3660 C.ar 108 HIS108 0.0737 1772 HE1 16.4070 77.8040 38.1040 H 108 HIS108 0.0963 1773 NE2 15.3070 76.0120 37.6130 N.ar 108 HIS108 -0.2539 1774 HE2 15.6880 75.7950 36.6920 H 108 HIS108 0.1339 1775 N 10.4550 76.2960 39.0600 N.am 109 HIS109 -0.2453 1776 H 10.1270 75.5160 39.6300 H 109 HIS109 0.1312 1777 CA 9.7790 76.6030 37.8100 C.3 109 HIS109 0.0932 1778 HA 10.5490 76.9160 37.0670 H 109 HIS109 0.0561 1779 C 8.7930 77.7570 37.9870 C.2 109 HIS109 0.2190 1780 O 8.9270 78.7920 37.3340 O.2 109 HIS109 -0.2778 1781 CB 9.0660 75.3600 37.2620 C.3 109 HIS109 0.0146 1782 HB1 8.1340 75.6490 36.7230 H 109 HIS109 0.0348 1783 HB2 8.7600 74.7430 38.1390 H 109 HIS109 0.0348 1784 CG 9.9270 74.5000 36.3980 C.ar 109 HIS109 0.0551 1785 ND1 9.8970 74.5540 35.0120 N.ar 109 HIS109 -0.2469 1786 CD2 10.8490 73.5500 36.7030 C.ar 109 HIS109 0.0047 1787 HD2 11.1430 73.2280 37.7160 H 109 HIS109 0.0764 1788 CE1 10.7550 73.6870 34.5210 C.ar 109 HIS109 0.0737 1789 HE1 10.9470 73.5100 33.4500 H 109 HIS109 0.0963 1790 NE2 11.3470 73.0650 35.5200 N.ar 109 HIS109 -0.2539 1791 HE2 12.0590 72.3410 35.4290 H 109 HIS109 0.1339 1792 N 7.8200 77.5890 38.8820 N.am 110 LYS110 -0.2456 1793 H 7.8310 76.7640 39.4820 H 110 LYS110 0.1312 1794 CA 6.7350 78.5630 39.0230 C.3 110 LYS110 0.0878 1795 HA 6.3240 78.6990 38.0210 H 110 LYS110 0.0557 1796 C 7.2100 79.9270 39.5060 C.2 110 LYS110 0.2187 1797 O 6.6580 80.9560 39.1140 O.2 110 LYS110 -0.2778 1798 CB 5.6510 77.9870 39.9520 C.3 110 LYS110 -0.0289 1799 HB1 5.9900 78.0140 40.9890 H 110 LYS110 0.0285 1800 HB2 5.5090 76.9340 39.7080 H 110 LYS110 0.0285 1801 CG 4.3030 78.7120 39.7920 C.3 110 LYS110 -0.0496 1802 HG1 4.0260 78.6830 38.7370 H 110 LYS110 0.0266 1803 HG2 4.4100 79.7690 40.0420 H 110 LYS110 0.0266 1804 CD 3.1610 78.0890 40.6110 C.3 110 LYS110 -0.0278 1805 HD1 3.1660 77.0050 40.4870 H 110 LYS110 0.0282 1806 HD2 2.2140 78.4400 40.2000 H 110 LYS110 0.0282 1807 CE 3.2230 78.4640 42.0950 C.3 110 LYS110 0.1103 1808 HE1 3.2200 79.5510 42.1980 H 110 LYS110 0.0559 1809 HE2 4.1490 78.0960 42.5390 H 110 LYS110 0.0559 1810 NZ 2.0970 77.9350 42.8700 N.4 110 LYS110 -0.0749 1811 HZ1 2.1930 78.2120 43.8690 H 110 LYS110 0.2742 1812 HZ2 2.0760 76.8960 42.8020 H 110 LYS110 0.2742 1813 HZ3 1.2030 78.3140 42.4960 H 110 LYS110 0.2742 1814 N 8.2250 79.9310 40.3630 N.am 111 PHE111 -0.2453 1815 H 8.6120 79.0420 40.6800 H 111 PHE111 0.1312 1816 CA 8.7980 81.1750 40.8600 C.3 111 PHE111 0.0917 1817 HA 8.2270 82.0250 40.4840 H 111 PHE111 0.0560 1818 C 10.2210 81.3410 40.3620 C.2 111 PHE111 0.2191 1819 O 11.0980 81.7540 41.1170 O.2 111 PHE111 -0.2778 1820 CB 8.7600 81.1730 42.3940 C.3 111 PHE111 -0.0036 1821 HB1 9.0210 82.1670 42.7380 H 111 PHE111 0.0333 1822 HB2 9.5030 80.4870 42.8060 H 111 PHE111 0.0333 1823 CG 7.4050 80.8530 42.9680 C.ar 111 PHE111 -0.0454 1824 CD1 6.3640 81.7700 42.8690 C.ar 111 PHE111 -0.0585 1825 HD1 6.5170 82.6950 42.3320 H 111 PHE111 0.0620 1826 CD2 7.2020 79.6740 43.6780 C.ar 111 PHE111 -0.0585 1827 HD2 8.0150 78.9690 43.7820 H 111 PHE111 0.0620 1828 CE1 5.1460 81.5250 43.4890 C.ar 111 PHE111 -0.0615 1829 HE1 4.3590 82.2620 43.4340 H 111 PHE111 0.0618 1830 CE2 5.9850 79.4220 44.2930 C.ar 111 PHE111 -0.0615 1831 HE2 5.8530 78.5180 44.8680 H 111 PHE111 0.0618 1832 CZ 4.9610 80.3560 44.2140 C.ar 111 PHE111 -0.0617 1833 HZ 4.0330 80.1870 44.7390 H 111 PHE111 0.0618 1834 N 10.4500 81.0080 39.0960 N.am 112 SER112 -0.2436 1835 H 9.6710 80.7140 38.5070 H 112 SER112 0.1312 1836 CA 11.7930 81.0550 38.5330 C.3 112 SER112 0.1109 1837 HA 12.3730 80.4100 39.1990 H 112 SER112 0.0580 1838 C 12.3870 82.4510 38.6220 C.2 112 SER112 0.2209 1839 O 11.7170 83.4430 38.3370 O.2 112 SER112 -0.2777 1840 CB 11.8770 80.4760 37.1020 C.3 112 SER112 0.0681 1841 HB1 11.5760 81.2190 36.3580 H 112 SER112 0.0577 1842 HB2 11.1630 79.6590 37.0140 H 112 SER112 0.0577 1843 OG 13.1540 79.9370 36.7520 O.3 112 SER112 -0.3930 1844 HG 13.8200 80.4850 37.1630 H 112 SER112 0.2095 1845 N 13.6440 82.5090 39.0450 N.am 113 GLU113 -0.2456 1846 H 14.0980 81.6450 39.3410 H 113 GLU113 0.1312 1847 CA 14.4050 83.7500 39.1060 C.3 113 GLU113 0.0883 1848 HA 15.3630 83.4630 39.5410 H 113 GLU113 0.0557 1849 C 13.8000 84.8120 40.0210 C.2 113 GLU113 0.2188 1850 O 13.9510 86.0040 39.7760 O.2 113 GLU113 -0.2778 1851 CB 14.6360 84.3620 37.7280 C.3 113 GLU113 -0.0193 1852 HB1 15.2830 85.2120 37.9070 H 113 GLU113 0.0290 1853 HB2 13.7040 84.7460 37.3100 H 113 GLU113 0.0290 1854 CG 15.3370 83.4720 36.7040 C.3 113 GLU113 0.0356 1855 HG1 14.6740 82.6940 36.3320 H 113 GLU113 0.0374 1856 HG2 16.2200 82.9990 37.1310 H 113 GLU113 0.0374 1857 CD 15.7470 84.3810 35.5400 C.2 113 GLU113 0.1760 1858 OE1 15.0020 84.5010 34.5740 O.co2 113 GLU113 -0.6478 1859 OE2 16.8080 84.9970 35.5980 O.co2 113 GLU113 -0.6478 1860 N 13.1120 84.3790 41.0700 N.am 114 THR114 -0.2434 1861 H 12.8390 83.3980 41.1220 H 114 THR114 0.1313 1862 CA 12.7410 85.2860 42.1500 C.3 114 THR114 0.1135 1863 HA 13.1140 86.2900 41.9470 H 114 THR114 0.0583 1864 C 13.3860 84.7830 43.4330 C.2 114 THR114 0.2212 1865 O 14.1670 83.8330 43.4090 O.2 114 THR114 -0.2777 1866 CB 11.2020 85.2900 42.2900 C.3 114 THR114 0.0763 1867 HB 10.9230 86.0970 42.9690 H 114 THR114 0.0611 1868 OG1 10.7260 84.0990 42.8790 O.3 114 THR114 -0.3900 1869 HG1 11.1090 83.3630 42.4040 H 114 THR114 0.2098 1870 CG2 10.4740 85.5330 40.9590 C.3 114 THR114 -0.0370 1871 HG21 9.4000 85.6220 41.1200 H 114 THR114 0.0255 1872 HG22 10.6270 84.7170 40.2520 H 114 THR114 0.0255 1873 HG23 10.8200 86.4510 40.4850 H 114 THR114 0.0255 1874 N 13.0620 85.4090 44.5550 N.am 115 HIS115 -0.2452 1875 H 12.4090 86.1920 44.5300 H 115 HIS115 0.1312 1876 CA 13.6340 84.9830 45.8230 C.3 115 HIS115 0.0932 1877 HA 14.6760 84.7040 45.6530 H 115 HIS115 0.0561 1878 C 12.9280 83.7360 46.3470 C.2 115 HIS115 0.2190 1879 O 13.3050 83.1890 47.3830 O.2 115 HIS115 -0.2778 1880 CB 13.5710 86.1110 46.8640 C.3 115 HIS115 0.0146 1881 HB1 13.8710 85.7330 47.8390 H 115 HIS115 0.0348 1882 HB2 12.5550 86.4910 46.9660 H 115 HIS115 0.0348 1883 CG 14.5100 87.2490 46.5160 C.ar 115 HIS115 0.0551 1884 ND1 15.5810 87.1510 45.6930 N.ar 115 HIS115 -0.2469 1885 CD2 14.4930 88.5480 47.0520 C.ar 115 HIS115 0.0047 1886 HD2 13.7840 88.9330 47.7710 H 115 HIS115 0.0764 1887 CE1 16.1590 88.3660 45.6870 C.ar 115 HIS115 0.0737 1888 HE1 17.0270 88.6240 45.0970 H 115 HIS115 0.0963 1889 NE2 15.5310 89.2250 46.5080 N.ar 115 HIS115 -0.2539 1890 HE2 15.7700 90.1600 46.6790 H 115 HIS115 0.1339 1891 N 11.9070 83.2880 45.6220 N.am 116 ALA116 -0.2459 1892 H 11.5920 83.8320 44.8180 H 116 ALA116 0.1312 1893 CA 11.2270 82.0410 45.9460 C.3 116 ALA116 0.0850 1894 HA 11.3870 81.8380 47.0010 H 116 ALA116 0.0554 1895 C 11.8490 80.8970 45.1570 C.2 116 ALA116 0.2184 1896 O 11.3950 79.7530 45.2310 O.2 116 ALA116 -0.2778 1897 CB 9.7280 82.2020 45.7040 C.3 116 ALA116 -0.0411 1898 HB1 9.1890 81.2670 45.8620 H 116 ALA116 0.0249 1899 HB2 9.5300 82.5550 44.6980 H 116 ALA116 0.0249 1900 HB3 9.3210 82.9450 46.3890 H 116 ALA116 0.0249 1901 N 12.8890 81.2280 44.3950 N.am 117 ASP117 -0.2451 1902 H 13.1650 82.2090 44.3450 H 117 ASP117 0.1312 1903 CA 13.6500 80.2500 43.6290 C.3 117 ASP117 0.0977 1904 HA 12.9540 79.4510 43.4000 H 117 ASP117 0.0563 1905 C 14.8780 79.8090 44.4220 C.2 117 ASP117 0.2219 1906 O 15.8050 80.5960 44.6100 O.2 117 ASP117 -0.2776 1907 CB 14.1250 80.7870 42.2440 C.3 117 ASP117 0.0576 1908 HB1 14.8660 81.5750 42.3630 H 117 ASP117 0.0394 1909 HB2 13.2880 81.2430 41.7270 H 117 ASP117 0.0394 1910 CG 14.7260 79.7110 41.2780 C.2 117 ASP117 0.1780 1911 OD1 15.0330 78.6050 41.7150 O.co2 117 ASP117 -0.6478 1912 OD2 14.8900 79.9790 40.0810 O.co2 117 ASP117 -0.6478 1913 N 14.8780 78.5500 44.9000 N.am 118 PRO118 -0.2316 1914 CA 15.9580 77.9500 45.6920 C.3 118 PRO118 0.0907 1915 HA 15.9400 78.4760 46.6460 H 118 PRO118 0.0559 1916 C 17.3490 78.1610 45.1010 C.2 118 PRO118 0.2189 1917 O 18.3040 78.3630 45.8510 O.2 118 PRO118 -0.2778 1918 CB 15.5630 76.4860 45.9170 C.3 118 PRO118 -0.0276 1919 HB1 15.2110 76.3570 46.9410 H 118 PRO118 0.0285 1920 HB2 16.3840 75.7850 45.7710 H 118 PRO118 0.0285 1921 CG 14.4140 76.2150 44.9560 C.3 118 PRO118 -0.0379 1922 HG1 13.6750 75.5280 45.3670 H 118 PRO118 0.0278 1923 HG2 14.8090 75.7700 44.0430 H 118 PRO118 0.0278 1924 CD 13.8100 77.5780 44.6270 C.3 118 PRO118 0.0071 1925 HD1 13.5340 77.5780 43.5730 H 118 PRO118 0.0431 1926 HD2 12.9590 77.8230 45.2620 H 118 PRO118 0.0431 1927 N 17.4660 78.1160 43.7800 N.am 119 HIS119 -0.2453 1928 H 16.6540 77.8810 43.2090 H 119 HIS119 0.1312 1929 CA 18.7440 78.3990 43.1370 C.3 119 HIS119 0.0932 1930 HA 19.4670 78.7080 43.8940 H 119 HIS119 0.0561 1931 C 18.6420 79.6140 42.2140 C.2 119 HIS119 0.2191 1932 O 18.9500 79.5270 41.0240 O.2 119 HIS119 -0.2778 1933 CB 19.3330 77.1400 42.4520 C.3 119 HIS119 0.0146 1934 HB1 19.9960 76.6420 43.1600 H 119 HIS119 0.0348 1935 HB2 19.9580 77.3800 41.5920 H 119 HIS119 0.0348 1936 CG 18.2810 76.1180 42.0670 C.ar 119 HIS119 0.0551 1937 ND1 17.9100 75.8150 40.7990 N.ar 119 HIS119 -0.2469 1938 CD2 17.6610 75.2010 42.9320 C.ar 119 HIS119 0.0047 1939 HD2 17.7900 75.1610 44.0030 H 119 HIS119 0.0764 1940 CE1 17.0430 74.7940 40.9150 C.ar 119 HIS119 0.0737 1941 HE1 16.5630 74.3080 40.0830 H 119 HIS119 0.0963 1942 NE2 16.8770 74.3960 42.1850 N.ar 119 HIS119 -0.2539 1943 HE2 16.3110 73.6710 42.5250 H 119 HIS119 0.1339 1944 N 18.2160 80.7430 42.7780 N.am 120 ASN120 -0.2452 1945 H 18.0050 80.7450 43.7760 H 120 ASN120 0.1312 1946 CA 18.0400 81.9770 42.0200 C.3 120 ASN120 0.0957 1947 HA 17.2890 81.7500 41.2580 H 120 ASN120 0.0562 1948 C 19.3300 82.4060 41.3370 C.2 120 ASN120 0.2192 1949 O 20.3310 82.6780 41.9990 O.2 120 ASN120 -0.2778 1950 CB 17.4870 83.0400 42.9840 C.3 120 ASN120 0.0446 1951 HB1 18.1940 83.2160 43.7930 H 120 ASN120 0.0375 1952 HB2 16.5740 82.6690 43.4480 H 120 ASN120 0.0375 1953 CG 17.1490 84.3830 42.3160 C.2 120 ASN120 0.2000 1954 OD1 17.2760 84.5720 41.1160 O.2 120 ASN120 -0.2797 1955 ND2 16.7130 85.3130 43.1790 N.am 120 ASN120 -0.2723 1956 HD21 16.4910 86.2250 42.8360 H 120 ASN120 0.1266 1957 HD22 16.5850 85.1010 44.1460 H 120 ASN120 0.1266 1958 N 19.2960 82.4560 40.0080 N.am 121 SER121 -0.2436 1959 H 18.4190 82.2480 39.5300 H 121 SER121 0.1312 1960 CA 20.4690 82.7980 39.2120 C.3 121 SER121 0.1109 1961 HA 21.3180 82.2730 39.6490 H 121 SER121 0.0580 1962 C 20.7920 84.2840 39.2920 C.2 121 SER121 0.2209 1963 O 21.9130 84.6990 38.9950 O.2 121 SER121 -0.2777 1964 CB 20.2920 82.3190 37.7610 C.3 121 SER121 0.0681 1965 HB1 20.3260 81.2290 37.7550 H 121 SER121 0.0577 1966 HB2 21.1210 82.6450 37.1250 H 121 SER121 0.0577 1967 OG 19.0560 82.6820 37.1720 O.3 121 SER121 -0.3930 1968 HG 18.9370 83.6280 37.2040 H 121 SER121 0.2095 1969 N 19.8070 85.0820 39.6910 N.am 122 ARG122 -0.2456 1970 H 18.8850 84.6850 39.8710 H 122 ARG122 0.1312 1971 CA 20.0180 86.5110 39.8760 C.3 122 ARG122 0.0879 1972 HA 20.5150 86.8460 38.9630 H 122 ARG122 0.0557 1973 C 21.0380 86.7680 40.9850 C.2 122 ARG122 0.2187 1974 O 21.7300 87.7850 40.9790 O.2 122 ARG122 -0.2778 1975 CB 18.6660 87.2410 39.9320 C.3 122 ARG122 -0.0258 1976 HB1 18.8390 88.3170 39.9770 H 122 ARG122 0.0286 1977 HB2 18.1120 86.9690 40.8300 H 122 ARG122 0.0286 1978 CG 17.8510 86.8930 38.6650 C.3 122 ARG122 -0.0154 1979 HG1 17.5140 85.8560 38.7200 H 122 ARG122 0.0299 1980 HG2 18.5080 86.9410 37.7960 H 122 ARG122 0.0299 1981 CD 16.6350 87.7780 38.3720 C.3 122 ARG122 0.1045 1982 HD1 16.9140 88.8280 38.2630 H 122 ARG122 0.0711 1983 HD2 15.8800 87.6710 39.1530 H 122 ARG122 0.0711 1984 NE 16.0690 87.3190 37.1070 N.pl3 122 ARG122 -0.4450 1985 HE 16.5540 86.6350 36.5500 H 122 ARG122 0.3153 1986 CZ 14.9050 87.6470 36.5710 C.cat 122 ARG122 0.5062 1987 NH1 14.1350 88.5440 37.1220 N.pl3 122 ARG122 -0.4573 1988 HH11 13.2610 88.7610 36.7000 H 122 ARG122 0.3114 1989 HH12 14.4390 88.9820 37.9590 H 122 ARG122 0.3114 1990 NH2 14.5210 87.0540 35.4790 N.pl3 122 ARG122 -0.4573 1991 HH21 13.6940 87.2920 34.9860 H 122 ARG122 0.3114 1992 HH22 15.0830 86.2900 35.1260 H 122 ARG122 0.3114 1993 N 21.1310 85.8330 41.9270 N.am 123 ARG123 -0.2457 1994 H 20.5210 85.0170 41.8770 H 123 ARG123 0.1312 1995 CA 22.0810 85.9420 43.0300 C.3 123 ARG123 0.0879 1996 HA 21.9810 86.9470 43.4390 H 123 ARG123 0.0557 1997 C 23.5180 85.8030 42.5350 C.2 123 ARG123 0.2185 1998 O 24.4500 86.3110 43.1560 O.2 123 ARG123 -0.2778 1999 CB 21.7500 84.8750 44.0880 C.3 123 ARG123 -0.0258 2000 HB1 22.5060 84.8530 44.8710 H 123 ARG123 0.0286 2001 HB2 21.8090 83.9000 43.6050 H 123 ARG123 0.0286 2002 CG 20.3460 85.0320 44.7020 C.3 123 ARG123 -0.0154 2003 HG1 20.1110 84.1570 45.3080 H 123 ARG123 0.0299 2004 HG2 19.6160 85.0220 43.8930 H 123 ARG123 0.0299 2005 CD 20.1280 86.3060 45.5430 C.3 123 ARG123 0.1045 2006 HD1 19.0630 86.5520 45.5400 H 123 ARG123 0.0711 2007 HD2 20.6380 87.1870 45.1470 H 123 ARG123 0.0711 2008 NE 20.4760 86.1170 46.9570 N.pl3 123 ARG123 -0.4450 2009 HE 19.7440 85.8390 47.5780 H 123 ARG123 0.3153 2010 CZ 21.6780 86.2960 47.5030 C.cat 123 ARG123 0.5062 2011 NH1 22.7310 86.5530 46.7730 N.pl3 123 ARG123 -0.4573 2012 HH11 23.6220 86.6950 47.2010 H 123 ARG123 0.3114 2013 HH12 22.6450 86.6040 45.7820 H 123 ARG123 0.3114 2014 NH2 21.8080 86.2200 48.8020 N.pl3 123 ARG123 -0.4573 2015 HH21 22.6970 86.3620 49.2330 H 123 ARG123 0.3114 2016 HH22 21.0190 86.0260 49.3800 H 123 ARG123 0.3114 2017 N 23.6900 85.1160 41.4120 N.am 124 GLY124 -0.2485 2018 H 22.8790 84.7070 40.9480 H 124 GLY124 0.1309 2019 CA 25.0060 84.9340 40.8310 C.3 124 GLY124 0.0765 2020 HA1 25.7880 85.2150 41.5370 H 124 GLY124 0.0521 2021 HA2 25.0610 85.5920 39.9630 H 124 GLY124 0.0521 2022 C 25.2290 83.5040 40.3890 C.2 124 GLY124 0.2155 2023 O 24.3070 82.6900 40.4130 O.2 124 GLY124 -0.2781 2024 N 26.4530 83.1880 39.9840 N.am 125 PHE125 -0.2456 2025 H 27.1870 83.8960 39.9820 H 125 PHE125 0.1312 2026 CA 26.7500 81.8350 39.5430 C.3 125 PHE125 0.0917 2027 HA 25.9010 81.4540 38.9750 H 125 PHE125 0.0560 2028 C 26.9910 80.9090 40.7240 C.2 125 PHE125 0.2190 2029 O 26.3670 79.8510 40.8240 O.2 125 PHE125 -0.2778 2030 CB 27.9900 81.8690 38.6240 C.3 125 PHE125 -0.0036 2031 HB1 28.7980 82.4200 39.1070 H 125 PHE125 0.0333 2032 HB2 27.7550 82.4220 37.7140 H 125 PHE125 0.0333 2033 CG 28.5010 80.4970 38.2430 C.ar 125 PHE125 -0.0454 2034 CD1 29.5470 79.9120 38.9530 C.ar 125 PHE125 -0.0585 2035 HD1 30.0040 80.4390 39.7770 H 125 PHE125 0.0620 2036 CD2 27.9340 79.7900 37.1870 C.ar 125 PHE125 -0.0585 2037 HD2 27.1040 80.2030 36.6380 H 125 PHE125 0.0620 2038 CE1 30.0010 78.6400 38.6290 C.ar 125 PHE125 -0.0615 2039 HE1 30.8020 78.1890 39.1970 H 125 PHE125 0.0618 2040 CE2 28.4020 78.5270 36.8450 C.ar 125 PHE125 -0.0615 2041 HE2 27.9470 77.9830 36.0310 H 125 PHE125 0.0618 2042 CZ 29.4280 77.9450 37.5740 C.ar 125 PHE125 -0.0617 2043 HZ 29.7760 76.9530 37.3240 H 125 PHE125 0.0618 2044 N 27.9060 81.3040 41.6060 N.am 126 PHE126 -0.2453 2045 H 28.3320 82.2250 41.5050 H 126 PHE126 0.1312 2046 CA 28.3100 80.4480 42.7110 C.3 126 PHE126 0.0917 2047 HA 28.7150 79.5400 42.2600 H 126 PHE126 0.0560 2048 C 27.1250 80.0440 43.5640 C.2 126 PHE126 0.2190 2049 O 27.0330 78.8970 44.0010 O.2 126 PHE126 -0.2778 2050 CB 29.3920 81.1310 43.5620 C.3 126 PHE126 -0.0036 2051 HB1 29.0270 82.0790 43.9590 H 126 PHE126 0.0333 2052 HB2 30.2550 81.3700 42.9390 H 126 PHE126 0.0333 2053 CG 29.8430 80.2450 44.6980 C.ar 126 PHE126 -0.0454 2054 CD1 30.7050 79.1800 44.4580 C.ar 126 PHE126 -0.0585 2055 HD1 31.0880 79.0070 43.4630 H 126 PHE126 0.0620 2056 CD2 29.3430 80.4330 45.9850 C.ar 126 PHE126 -0.0585 2057 HD2 28.6560 81.2410 46.1860 H 126 PHE126 0.0620 2058 CE1 31.0610 78.3150 45.4850 C.ar 126 PHE126 -0.0615 2059 HE1 31.7230 77.4850 45.2870 H 126 PHE126 0.0618 2060 CE2 29.6950 79.5670 47.0120 C.ar 126 PHE126 -0.0615 2061 HE2 29.2940 79.7110 48.0050 H 126 PHE126 0.0618 2062 CZ 30.5540 78.5070 46.7620 C.ar 126 PHE126 -0.0617 2063 HZ 30.8230 77.8270 47.5580 H 126 PHE126 0.0618 2064 N 26.2260 80.9910 43.8060 N.am 127 PHE127 -0.2453 2065 H 26.3790 81.9360 43.4520 H 127 PHE127 0.1312 2066 CA 25.0260 80.6940 44.5700 C.3 127 PHE127 0.0917 2067 HA 25.3080 80.3670 45.5600 H 127 PHE127 0.0560 2068 C 24.2090 79.6120 43.8830 C.2 127 PHE127 0.2191 2069 O 23.8070 78.6360 44.5100 O.2 127 PHE127 -0.2778 2070 CB 24.1900 81.9850 44.6740 C.3 127 PHE127 -0.0036 2071 HB1 23.9330 82.3550 43.6790 H 127 PHE127 0.0333 2072 HB2 24.7900 82.7690 45.1370 H 127 PHE127 0.0333 2073 CG 22.9230 81.8070 45.4760 C.ar 127 PHE127 -0.0454 2074 CD1 22.9210 82.0090 46.8530 C.ar 127 PHE127 -0.0585 2075 HD1 23.8350 82.2800 47.3610 H 127 PHE127 0.0620 2076 CD2 21.7350 81.4330 44.8500 C.ar 127 PHE127 -0.0585 2077 HD2 21.7120 81.2600 43.7830 H 127 PHE127 0.0620 2078 CE1 21.7530 81.8440 47.5880 C.ar 127 PHE127 -0.0615 2079 HE1 21.7580 81.9920 48.6570 H 127 PHE127 0.0618 2080 CE2 20.5710 81.2570 45.5850 C.ar 127 PHE127 -0.0615 2081 HE2 19.6620 80.9390 45.0950 H 127 PHE127 0.0618 2082 CZ 20.5790 81.4620 46.9560 C.ar 127 PHE127 -0.0617 2083 HZ 19.6760 81.3000 47.5280 H 127 PHE127 0.0618 2084 N 23.9740 79.7970 42.5900 N.am 128 SER128 -0.2436 2085 H 24.3980 80.5970 42.1210 H 128 SER128 0.1312 2086 CA 23.1300 78.8940 41.8210 C.3 128 SER128 0.1109 2087 HA 22.2420 78.7190 42.4310 H 128 SER128 0.0580 2088 C 23.7750 77.5240 41.6300 C.2 128 SER128 0.2209 2089 O 23.0800 76.5260 41.4330 O.2 128 SER128 -0.2777 2090 CB 22.6630 79.5580 40.5190 C.3 128 SER128 0.0681 2091 HB1 22.0380 80.4150 40.8000 H 128 SER128 0.0577 2092 HB2 22.0290 78.8690 39.9530 H 128 SER128 0.0577 2093 OG 23.7610 79.9590 39.7090 O.3 128 SER128 -0.3930 2094 HG 23.4970 80.6240 39.0770 H 128 SER128 0.2095 2095 N 25.1020 77.4740 41.6900 N.am 129 HIS129 -0.2452 2096 H 25.6320 78.3280 41.8650 H 129 HIS129 0.1312 2097 CA 25.8090 76.2120 41.5080 C.3 129 HIS129 0.0932 2098 HA 25.3350 75.6430 40.7080 H 129 HIS129 0.0561 2099 C 25.7540 75.3540 42.7610 C.2 129 HIS129 0.2190 2100 O 25.1930 74.2570 42.7510 O.2 129 HIS129 -0.2778 2101 CB 27.2600 76.5810 41.1450 C.3 129 HIS129 0.0146 2102 HB1 27.7590 77.0900 41.9700 H 129 HIS129 0.0348 2103 HB2 27.2730 77.2870 40.3160 H 129 HIS129 0.0348 2104 CG 28.0610 75.3620 40.7490 C.ar 129 HIS129 0.0551 2105 ND1 27.8900 74.6910 39.5900 N.ar 129 HIS129 -0.2469 2106 CD2 29.1290 74.7740 41.4440 C.ar 129 HIS129 0.0047 2107 HD2 29.5210 75.0850 42.4000 H 129 HIS129 0.0764 2108 CE1 28.8210 73.7240 39.5790 C.ar 129 HIS129 0.0737 2109 HE1 28.9310 73.0020 38.7810 H 129 HIS129 0.0963 2110 NE2 29.5900 73.7570 40.6820 N.ar 129 HIS129 -0.2539 2111 HE2 30.3300 73.1500 40.8950 H 129 HIS129 0.1339 2112 N 26.3380 75.8610 43.8400 N.am 130 VAL130 -0.2454 2113 H 26.7470 76.7940 43.7940 H 130 VAL130 0.1312 2114 CA 26.4080 75.1140 45.0870 C.3 130 VAL130 0.0901 2115 HA 25.6180 74.3600 45.0910 H 130 VAL130 0.0560 2116 C 26.1370 76.0270 46.2800 C.2 130 VAL130 0.2187 2117 O 25.7370 75.5610 47.3470 O.2 130 VAL130 -0.2778 2118 CB 27.7890 74.4350 45.2080 C.3 130 VAL130 -0.0227 2119 HB 27.9150 73.8260 44.3120 H 130 VAL130 0.0315 2120 CG1 28.9500 75.4430 45.2470 C.3 130 VAL130 -0.0608 2121 HG11 29.9110 74.9290 45.2100 H 130 VAL130 0.0233 2122 HG12 28.9310 76.0330 46.1630 H 130 VAL130 0.0233 2123 HG13 28.9160 76.1360 44.4070 H 130 VAL130 0.0233 2124 CG2 27.8620 73.4850 46.4150 C.3 130 VAL130 -0.0608 2125 HG21 28.7880 72.9100 46.4050 H 130 VAL130 0.0233 2126 HG22 27.0320 72.7790 46.4100 H 130 VAL130 0.0233 2127 HG23 27.8260 74.0290 47.3590 H 130 VAL130 0.0233 2128 N 26.3370 77.3280 46.0840 N.am 131 GLY131 -0.2485 2129 H 26.6020 77.6480 45.1520 H 131 GLY131 0.1309 2130 CA 26.1920 78.3110 47.1460 C.3 131 GLY131 0.0765 2131 HA1 26.4300 79.2940 46.7630 H 131 GLY131 0.0521 2132 HA2 26.9730 78.0770 47.8700 H 131 GLY131 0.0521 2133 C 24.8670 78.2650 47.8860 C.2 131 GLY131 0.2155 2134 O 24.8190 78.4880 49.0930 O.2 131 GLY131 -0.2781 2135 N 23.7910 77.9640 47.1670 N.am 132 TRP132 -0.2456 2136 H 23.8940 77.7810 46.1690 H 132 TRP132 0.1312 2137 CA 22.4640 77.8890 47.7710 C.3 132 TRP132 0.0918 2138 HA 22.3180 78.8070 48.3380 H 132 TRP132 0.0560 2139 C 22.3370 76.7010 48.7170 C.2 132 TRP132 0.2190 2140 O 21.4090 76.6360 49.5220 O.2 132 TRP132 -0.2778 2141 CB 21.4010 77.8200 46.6540 C.3 132 TRP132 -0.0021 2142 HB1 21.6010 78.5760 45.8960 H 132 TRP132 0.0334 2143 HB2 20.4260 78.0630 47.0750 H 132 TRP132 0.0334 2144 CG 21.3200 76.4600 45.9730 C.ar 132 TRP132 -0.0260 2145 CD1 22.1910 75.9470 45.0040 C.ar 132 TRP132 -0.0136 2146 HD1 23.0750 76.4250 44.6130 H 132 TRP132 0.0748 2147 CD2 20.3080 75.4490 46.1760 C.ar 132 TRP132 -0.0028 2148 NE1 21.7560 74.7280 44.6030 N.ar 132 TRP132 -0.2641 2149 HE1 22.2000 74.1690 43.9310 H 132 TRP132 0.1331 2150 CE2 20.6020 74.3830 45.2920 C.ar 132 TRP132 0.0269 2151 CE3 19.2180 75.3690 47.0010 C.ar 132 TRP132 -0.0528 2152 HE3 18.9900 76.1830 47.6740 H 132 TRP132 0.0624 2153 CZ2 19.7980 73.2770 45.2600 C.ar 132 TRP132 -0.0430 2154 HZ2 20.0300 72.4640 44.5900 H 132 TRP132 0.0633 2155 CZ3 18.4010 74.2380 46.9780 C.ar 132 TRP132 -0.0611 2156 HZ3 17.5390 74.1770 47.6270 H 132 TRP132 0.0618 2157 CH2 18.6900 73.1900 46.1040 C.ar 132 TRP132 -0.0602 2158 HH2 18.0560 72.3150 46.0830 H 132 TRP132 0.0618 2159 N 23.2660 75.7570 48.6030 N.am 133 LEU133 -0.2456 2160 H 23.9900 75.8590 47.8920 H 133 LEU133 0.1312 2161 CA 23.2810 74.5810 49.4640 C.3 133 LEU133 0.0880 2162 HA 22.2630 74.3690 49.7950 H 133 LEU133 0.0557 2163 C 24.1350 74.8240 50.6980 C.2 133 LEU133 0.2187 2164 O 24.1800 74.0000 51.6100 O.2 133 LEU133 -0.2778 2165 CB 23.8610 73.3630 48.7160 C.3 133 LEU133 -0.0266 2166 HB1 24.0000 72.5290 49.4060 H 133 LEU133 0.0287 2167 HB2 24.8610 73.6030 48.3570 H 133 LEU133 0.0287 2168 CG 23.0020 72.8700 47.5440 C.3 133 LEU133 -0.0449 2169 HG 22.7140 73.7300 46.9430 H 133 LEU133 0.0296 2170 CD1 23.8090 71.9370 46.6350 C.3 133 LEU133 -0.0626 2171 HD11 23.2070 71.5890 45.7950 H 133 LEU133 0.0232 2172 HD12 24.1590 71.0630 47.1830 H 133 LEU133 0.0232 2173 HD13 24.6810 72.4450 46.2230 H 133 LEU133 0.0232 2174 CD2 21.7310 72.1650 48.0410 C.3 133 LEU133 -0.0626 2175 HD21 21.1630 71.7480 47.2100 H 133 LEU133 0.0232 2176 HD22 21.0740 72.8530 48.5740 H 133 LEU133 0.0232 2177 HD23 21.9730 71.3410 48.7130 H 133 LEU133 0.0232 2178 N 24.8210 75.9590 50.7140 N.am 134 LEU134 -0.2456 2179 H 24.7290 76.6080 49.9320 H 134 LEU134 0.1312 2180 CA 25.6990 76.2990 51.8180 C.3 134 LEU134 0.0880 2181 HA 25.8640 75.4310 52.4580 H 134 LEU134 0.0557 2182 C 25.0850 77.3980 52.6710 C.2 134 LEU134 0.2187 2183 O 25.7110 77.8790 53.6100 O.2 134 LEU134 -0.2778 2184 CB 27.0300 76.7900 51.2240 C.3 134 LEU134 -0.0266 2185 HB1 27.7080 77.0600 52.0330 H 134 LEU134 0.0287 2186 HB2 26.8580 77.7070 50.6590 H 134 LEU134 0.0287 2187 CG 27.7190 75.7690 50.2990 C.3 134 LEU134 -0.0449 2188 HG 27.0800 75.5900 49.4350 H 134 LEU134 0.0296 2189 CD1 29.0410 76.3300 49.7620 C.3 134 LEU134 -0.0626 2190 HD11 29.5010 75.6390 49.0550 H 134 LEU134 0.0232 2191 HD12 29.7530 76.5080 50.5680 H 134 LEU134 0.0232 2192 HD13 28.8810 77.2740 49.2400 H 134 LEU134 0.0232 2193 CD2 27.9400 74.4220 50.9990 C.3 134 LEU134 -0.0626 2194 HD21 28.6040 73.7830 50.4180 H 134 LEU134 0.0232 2195 HD22 27.0010 73.8850 51.1330 H 134 LEU134 0.0232 2196 HD23 28.3810 74.5630 51.9820 H 134 LEU134 0.0232 2197 N 23.8600 77.7970 52.3380 N.am 135 VAL135 -0.2454 2198 H 23.3870 77.3520 51.5520 H 135 VAL135 0.1312 2199 CA 23.1780 78.8600 53.0740 C.3 135 VAL135 0.0901 2200 HA 23.6650 78.9670 54.0450 H 135 VAL135 0.0560 2201 C 21.7260 78.5170 53.3860 C.2 135 VAL135 0.2189 2202 O 21.1270 77.6480 52.7560 O.2 135 VAL135 -0.2778 2203 CB 23.2980 80.1930 52.3110 C.3 135 VAL135 -0.0227 2204 HB 22.8530 80.9630 52.9370 H 135 VAL135 0.0315 2205 CG1 24.7670 80.5870 52.0870 C.3 135 VAL135 -0.0608 2206 HG11 24.8420 81.5550 51.5970 H 135 VAL135 0.0233 2207 HG12 25.2860 79.8720 51.4490 H 135 VAL135 0.0233 2208 HG13 25.3050 80.6480 53.0340 H 135 VAL135 0.0233 2209 CG2 22.5310 80.1840 50.9840 C.3 135 VAL135 -0.0608 2210 HG21 22.6690 81.1270 50.4590 H 135 VAL135 0.0233 2211 HG22 21.4610 80.0410 51.1360 H 135 VAL135 0.0233 2212 HG23 22.8850 79.3830 50.3410 H 135 VAL135 0.0233 2213 N 21.1630 79.2130 54.3680 N.am 136 ARG136 -0.2456 2214 H 21.7280 79.8770 54.8980 H 136 ARG136 0.1312 2215 CA 19.7570 79.0460 54.7020 C.3 136 ARG136 0.0879 2216 HA 19.5580 78.0030 54.9190 H 136 ARG136 0.0557 2217 C 18.9070 79.5380 53.5430 C.2 136 ARG136 0.2187 2218 O 19.2620 80.5120 52.8800 O.2 136 ARG136 -0.2778 2219 CB 19.3820 79.9670 55.8620 C.3 136 ARG136 -0.0258 2220 HB1 18.2980 80.0900 55.9340 H 136 ARG136 0.0286 2221 HB2 19.7920 80.9650 55.6960 H 136 ARG136 0.0286 2222 CG 19.8650 79.4360 57.1890 C.3 136 ARG136 -0.0154 2223 HG1 19.6070 80.1720 57.9510 H 136 ARG136 0.0299 2224 HG2 20.9480 79.3020 57.1890 H 136 ARG136 0.0299 2225 CD 19.2030 78.1340 57.5800 C.3 136 ARG136 0.1045 2226 HD1 19.5960 77.2830 57.0230 H 136 ARG136 0.0711 2227 HD2 18.1160 78.2040 57.4920 H 136 ARG136 0.0711 2228 NE 19.5530 77.9740 58.9620 N.pl3 136 ARG136 -0.4450 2229 HE 20.2760 78.5460 59.3600 H 136 ARG136 0.3153 2230 CZ 19.0200 77.1770 59.8350 C.cat 136 ARG136 0.5062 2231 NH1 18.0870 76.3260 59.4930 N.pl3 136 ARG136 -0.4573 2232 HH11 17.6420 75.7370 60.1530 H 136 ARG136 0.3114 2233 HH12 17.8260 76.2850 58.5190 H 136 ARG136 0.3114 2234 NH2 19.4790 77.2990 61.0460 N.pl3 136 ARG136 -0.4573 2235 HH21 19.1520 76.7740 61.8180 H 136 ARG136 0.3114 2236 HH22 20.2140 77.9930 61.1430 H 136 ARG136 0.3114 2237 N 17.8010 78.8510 53.2820 N.am 137 LYS137 -0.2457 2238 H 17.5890 78.0160 53.8270 H 137 LYS137 0.1312 2239 CA 16.8850 79.2710 52.2290 C.3 137 LYS137 0.0878 2240 HA 17.4730 79.3510 51.3130 H 137 LYS137 0.0557 2241 C 16.3010 80.6450 52.5540 C.2 137 LYS137 0.2187 2242 O 15.8430 80.8840 53.6700 O.2 137 LYS137 -0.2778 2243 CB 15.7940 78.1710 52.0400 C.3 137 LYS137 -0.0289 2244 HB1 14.9680 78.5720 51.4510 H 137 LYS137 0.0285 2245 HB2 15.3770 77.9360 53.0190 H 137 LYS137 0.0285 2246 CG 16.2730 76.8520 51.3590 C.3 137 LYS137 -0.0496 2247 HG1 17.2020 76.5290 51.8260 H 137 LYS137 0.0266 2248 HG2 16.5210 77.0570 50.3170 H 137 LYS137 0.0266 2249 CD 15.2500 75.6790 51.4250 C.3 137 LYS137 -0.0278 2250 HD1 14.3020 75.9930 50.9890 H 137 LYS137 0.0282 2251 HD2 15.0610 75.4860 52.4780 H 137 LYS137 0.0282 2252 CE 15.7010 74.3440 50.7620 C.3 137 LYS137 0.1103 2253 HE1 16.6570 74.0470 51.1760 H 137 LYS137 0.0559 2254 HE2 15.8670 74.4920 49.6940 H 137 LYS137 0.0559 2255 NZ 14.8020 73.1830 50.9140 N.4 137 LYS137 -0.0749 2256 HZ1 15.2670 72.2870 50.6470 H 137 LYS137 0.2742 2257 HZ2 13.9740 73.2640 50.2790 H 137 LYS137 0.2742 2258 HZ3 14.5320 73.0510 51.9130 H 137 LYS137 0.2742 2259 N 16.3600 81.5520 51.5830 N.am 138 HIS138 -0.2453 2260 H 16.8850 81.3330 50.7360 H 138 HIS138 0.1312 2261 CA 15.7010 82.8480 51.6870 C.3 138 HIS138 0.0934 2262 HA 16.2430 83.3860 52.4600 H 138 HIS138 0.0561 2263 C 14.2360 82.6140 52.0340 C.2 138 HIS138 0.2217 2264 O 13.6000 81.7320 51.4610 O.2 138 HIS138 -0.2776 2265 CB 15.8200 83.5810 50.3410 C.3 138 HIS138 0.0146 2266 HB1 15.2460 83.0740 49.5630 H 138 HIS138 0.0348 2267 HB2 16.8580 83.5920 50.0120 H 138 HIS138 0.0348 2268 CG 15.3390 85.0100 50.4720 C.ar 138 HIS138 0.0551 2269 ND1 14.0490 85.3860 50.3420 N.ar 138 HIS138 -0.2469 2270 CD2 16.0940 86.1470 50.8060 C.ar 138 HIS138 0.0047 2271 HD2 17.1510 86.1740 51.0210 H 138 HIS138 0.0764 2272 CE1 14.0180 86.7080 50.5870 C.ar 138 HIS138 0.0737 2273 HE1 13.1150 87.3030 50.5930 H 138 HIS138 0.0963 2274 NE2 15.2450 87.1990 50.8350 N.ar 138 HIS138 -0.2539 2275 HE2 15.4580 88.1310 51.0590 H 138 HIS138 0.1339 2276 N 13.7080 83.3870 52.9980 N.am 139 PRO139 -0.2316 2277 CA 12.3460 83.2650 53.5330 C.3 139 PRO139 0.0907 2278 HA 12.3605 82.3673 54.1509 H 139 PRO139 0.0559 2279 C 11.2660 83.0580 52.4720 C.2 139 PRO139 0.2189 2280 O 10.3280 82.3000 52.7150 O.2 139 PRO139 -0.2778 2281 CB 12.1150 84.4931 54.4163 C.3 139 PRO139 -0.0276 2282 HB1 12.0123 84.1685 55.4487 H 139 PRO139 0.0285 2283 HB2 11.2124 85.0526 54.1645 H 139 PRO139 0.0285 2284 CG 13.3610 85.3541 54.2668 C.3 139 PRO139 -0.0379 2285 HG1 13.6690 85.8043 55.2107 H 139 PRO139 0.0278 2286 HG2 13.1573 86.1559 53.5563 H 139 PRO139 0.0278 2287 CD 14.4434 84.4488 53.6928 C.3 139 PRO139 0.0071 2288 HD1 15.0902 85.0168 53.0349 H 139 PRO139 0.0431 2289 HD2 15.0344 83.9735 54.4772 H 139 PRO139 0.0431 2290 N 11.4120 83.7050 51.3170 N.am 140 ALA140 -0.2459 2291 H 12.2530 84.2620 51.1680 H 140 ALA140 0.1312 2292 CA 10.4100 83.6440 50.2570 C.3 140 ALA140 0.0850 2293 HA 9.4780 84.0100 50.6530 H 140 ALA140 0.0554 2294 C 10.2450 82.2420 49.6740 C.2 140 ALA140 0.2184 2295 O 9.1950 81.9210 49.1170 O.2 140 ALA140 -0.2778 2296 CB 10.8420 84.6200 49.1590 C.3 140 ALA140 -0.0411 2297 HB1 10.1840 84.5730 48.2920 H 140 ALA140 0.0249 2298 HB2 11.8570 84.4110 48.8320 H 140 ALA140 0.0249 2299 HB3 10.8300 85.6440 49.5320 H 140 ALA140 0.0249 2300 N 11.2780 81.4140 49.7990 N.am 141 VAL141 -0.2454 2301 H 12.1040 81.7220 50.3130 H 141 VAL141 0.1312 2302 CA 11.2580 80.0740 49.2180 C.3 141 VAL141 0.0901 2303 HA 11.0260 80.1730 48.1590 H 141 VAL141 0.0560 2304 C 10.1470 79.2110 49.8110 C.2 141 VAL141 0.2189 2305 O 9.3970 78.5740 49.0790 O.2 141 VAL141 -0.2778 2306 CB 12.6490 79.4130 49.3670 C.3 141 VAL141 -0.0227 2307 HB 12.9060 79.4000 50.4270 H 141 VAL141 0.0315 2308 CG1 12.6760 77.9580 48.8640 C.3 141 VAL141 -0.0608 2309 HG11 13.6780 77.5330 48.9440 H 141 VAL141 0.0233 2310 HG12 12.3770 77.8980 47.8170 H 141 VAL141 0.0233 2311 HG13 12.0110 77.3150 49.4400 H 141 VAL141 0.0233 2312 CG2 13.7310 80.2210 48.6320 C.3 141 VAL141 -0.0608 2313 HG21 14.7140 79.7690 48.7660 H 141 VAL141 0.0233 2314 HG22 13.7940 81.2450 48.9980 H 141 VAL141 0.0233 2315 HG23 13.5320 80.2630 47.5610 H 141 VAL141 0.0233 2316 N 10.0300 79.1930 51.1340 N.am 142 LYS142 -0.2456 2317 H 10.6980 79.7040 51.7120 H 142 LYS142 0.1312 2318 CA 8.9470 78.4430 51.7620 C.3 142 LYS142 0.0878 2319 HA 8.6230 77.6420 51.0980 H 142 LYS142 0.0557 2320 C 7.7540 79.3460 52.0590 C.2 142 LYS142 0.2187 2321 O 6.6970 78.8790 52.4820 O.2 142 LYS142 -0.2778 2322 CB 9.5150 77.8380 53.0740 C.3 142 LYS142 -0.0289 2323 HB1 8.8230 77.0840 53.4490 H 142 LYS142 0.0285 2324 HB2 9.5690 78.6110 53.8430 H 142 LYS142 0.0285 2325 CG 10.9270 77.2210 52.9260 C.3 142 LYS142 -0.0496 2326 HG1 11.6440 78.0000 52.6660 H 142 LYS142 0.0266 2327 HG2 10.9280 76.5280 52.0860 H 142 LYS142 0.0266 2328 CD 11.4530 76.5020 54.1870 C.3 142 LYS142 -0.0278 2329 HD1 10.7730 75.6980 54.4580 H 142 LYS142 0.0282 2330 HD2 11.4630 77.1940 55.0290 H 142 LYS142 0.0282 2331 CE 12.8710 75.9420 53.9680 C.3 142 LYS142 0.1103 2332 HE1 13.5510 76.7670 53.7560 H 142 LYS142 0.0559 2333 HE2 12.8830 75.3120 53.0810 H 142 LYS142 0.0559 2334 NZ 13.4700 75.1640 55.0530 N.4 142 LYS142 -0.0749 2335 HZ1 14.4290 74.8600 54.7630 H 142 LYS142 0.2742 2336 HZ2 12.9420 74.2900 55.2640 H 142 LYS142 0.2742 2337 HZ3 13.6440 75.7450 55.8940 H 142 LYS142 0.2742 2338 N 7.9280 80.6420 51.8260 N.am 143 GLU143 -0.2456 2339 H 8.8450 80.9770 51.5330 H 143 GLU143 0.1312 2340 CA 6.8360 81.5950 51.9800 C.3 143 GLU143 0.0883 2341 HA 6.2160 81.2320 52.8020 H 143 GLU143 0.0557 2342 C 5.9190 81.5380 50.7670 C.2 143 GLU143 0.2187 2343 O 4.6970 81.5790 50.8990 O.2 143 GLU143 -0.2778 2344 CB 7.3400 82.9690 52.4320 C.3 143 GLU143 -0.0193 2345 HB1 8.2180 83.2230 51.8700 H 143 GLU143 0.0290 2346 HB2 7.7010 82.8580 53.4540 H 143 GLU143 0.0290 2347 CG 6.3130 84.1210 52.4100 C.3 143 GLU143 0.0356 2348 HG1 6.5520 84.8310 53.2000 H 143 GLU143 0.0374 2349 HG2 5.3090 83.7520 52.6160 H 143 GLU143 0.0374 2350 CD 6.3020 84.9300 51.0990 C.2 143 GLU143 0.1760 2351 OE1 7.3190 85.0270 50.4160 O.co2 143 GLU143 -0.6478 2352 OE2 5.2680 85.4850 50.7410 O.co2 143 GLU143 -0.6478 2353 N 6.5160 81.4420 49.5830 N.am 144 LYS144 -0.2457 2354 H 7.5350 81.4470 49.5380 H 144 LYS144 0.1312 2355 CA 5.7510 81.3300 48.3470 C.3 144 LYS144 0.0878 2356 HA 4.7240 81.6530 48.5300 H 144 LYS144 0.0557 2357 C 5.6690 79.8780 47.8970 C.2 144 LYS144 0.2185 2358 O 4.7150 79.4800 47.2340 O.2 144 LYS144 -0.2778 2359 CB 6.3870 82.2480 47.2960 C.3 144 LYS144 -0.0289 2360 HB1 6.0930 81.9650 46.2870 H 144 LYS144 0.0285 2361 HB2 7.4690 82.1360 47.3420 H 144 LYS144 0.0285 2362 CG 5.9820 83.7070 47.5440 C.3 144 LYS144 -0.0496 2363 HG1 5.8830 83.8660 48.6160 H 144 LYS144 0.0266 2364 HG2 4.9870 83.8780 47.1310 H 144 LYS144 0.0266 2365 CD 6.9730 84.7370 46.9900 C.3 144 LYS144 -0.0278 2366 HD1 7.1180 84.5740 45.9220 H 144 LYS144 0.0282 2367 HD2 7.9450 84.5860 47.4630 H 144 LYS144 0.0282 2368 CE 6.4990 86.1760 47.2400 C.3 144 LYS144 0.1103 2369 HE1 5.5580 86.3590 46.7190 H 144 LYS144 0.0559 2370 HE2 7.2310 86.8920 46.8660 H 144 LYS144 0.0559 2371 NZ 6.2840 86.4440 48.6570 N.4 144 LYS144 -0.0749 2372 HZ1 5.6490 85.7310 49.0790 H 144 LYS144 0.2742 2373 HZ2 5.8940 87.3810 48.8550 H 144 LYS144 0.2742 2374 HZ3 7.1510 86.2910 49.2170 H 144 LYS144 0.2742 2375 N 6.6680 79.0860 48.2690 N.am 145 GLY145 -0.2485 2376 H 7.4120 79.4630 48.8560 H 145 GLY145 0.1309 2377 CA 6.7240 77.6950 47.8590 C.3 145 GLY145 0.0765 2378 HA1 7.7380 77.3340 48.0170 H 145 GLY145 0.0521 2379 HA2 6.5140 77.6290 46.7930 H 145 GLY145 0.0521 2380 C 5.7690 76.8080 48.6270 C.2 145 GLY145 0.2156 2381 O 5.6030 75.6340 48.3060 O.2 145 GLY145 -0.2781 2382 N 5.1370 77.3690 49.6510 N.am 146 SER146 -0.2439 2383 H 5.3640 78.3280 49.9130 H 146 SER146 0.1312 2384 CA 4.1260 76.6430 50.4090 C.3 146 SER146 0.1109 2385 HA 4.4680 75.6200 50.5720 H 146 SER146 0.0580 2386 C 2.8120 76.6120 49.6360 C.2 146 SER146 0.2210 2387 O 1.8520 75.9560 50.0410 O.2 146 SER146 -0.2777 2388 CB 3.9220 77.3690 51.7440 C.3 146 SER146 0.0681 2389 HB1 4.8320 77.2660 52.3430 H 146 SER146 0.0577 2390 HB2 3.0990 76.9150 52.3060 H 146 SER146 0.0577 2391 OG 3.6440 78.7390 51.4850 O.3 146 SER146 -0.3930 2392 HG 3.6170 79.2550 52.2870 H 146 SER146 0.2095 2393 N 2.7890 77.3210 48.5120 N.am 147 THR147 -0.2433 2394 H 3.6180 77.8540 48.2500 H 147 THR147 0.1313 2395 CA 1.6230 77.3650 47.6400 C.3 147 THR147 0.1135 2396 HA 0.7530 77.5200 48.2810 H 147 THR147 0.0583 2397 C 1.4340 76.0480 46.8950 C.2 147 THR147 0.2212 2398 O 0.3260 75.5160 46.8250 O.2 147 THR147 -0.2777 2399 CB 1.7650 78.5530 46.6710 C.3 147 THR147 0.0763 2400 HB 2.6850 78.4030 46.0960 H 147 THR147 0.0611 2401 OG1 1.8770 79.7280 47.4530 O.3 147 THR147 -0.3900 2402 HG1 2.1350 80.4880 46.9420 H 147 THR147 0.2098 2403 CG2 0.5550 78.7050 45.7330 C.3 147 THR147 -0.0370 2404 HG21 0.6740 79.5500 45.0550 H 147 THR147 0.0255 2405 HG22 -0.3550 78.8710 46.3110 H 147 THR147 0.0255 2406 HG23 0.3980 77.8130 45.1270 H 147 THR147 0.0255 2407 N 2.5370 75.5360 46.3550 N.am 148 LEU148 -0.2456 2408 H 3.4330 75.9580 46.6010 H 148 LEU148 0.1312 2409 CA 2.5390 74.4040 45.4300 C.3 148 LEU148 0.0880 2410 HA 2.1250 74.7770 44.4950 H 148 LEU148 0.0557 2411 C 1.6870 73.2160 45.8620 C.2 148 LEU148 0.2187 2412 O 1.5760 72.9060 47.0480 O.2 148 LEU148 -0.2778 2413 CB 3.9970 73.9630 45.2400 C.3 148 LEU148 -0.0266 2414 HB1 4.0540 73.0760 44.6070 H 148 LEU148 0.0287 2415 HB2 4.3910 73.6600 46.2130 H 148 LEU148 0.0287 2416 CG 4.8860 75.0720 44.6520 C.3 148 LEU148 -0.0449 2417 HG 4.7090 76.0100 45.1790 H 148 LEU148 0.0296 2418 CD1 6.3590 74.7480 44.8760 C.3 148 LEU148 -0.0626 2419 HD11 6.9580 75.5540 44.4700 H 148 LEU148 0.0232 2420 HD12 6.6510 73.8210 44.3880 H 148 LEU148 0.0232 2421 HD13 6.5950 74.6580 45.9370 H 148 LEU148 0.0232 2422 CD2 4.6060 75.3070 43.1610 C.3 148 LEU148 -0.0626 2423 HD21 5.2780 76.0620 42.7510 H 148 LEU148 0.0232 2424 HD22 3.5840 75.6400 42.9930 H 148 LEU148 0.0232 2425 HD23 4.7510 74.3940 42.5860 H 148 LEU148 0.0232 2426 N 1.0850 72.5590 44.8780 N.am 149 ASP149 -0.2451 2427 H 1.1600 72.9180 43.9260 H 149 ASP149 0.1312 2428 CA 0.3230 71.3450 45.1130 C.3 149 ASP149 0.0974 2429 HA -0.1330 71.4020 46.1050 H 149 ASP149 0.0563 2430 C 1.2520 70.1430 45.0670 C.2 149 ASP149 0.2192 2431 O 1.7680 69.7900 44.0090 O.2 149 ASP149 -0.2778 2432 CB -0.7890 71.1880 44.0640 C.3 149 ASP149 0.0576 2433 HB1 -0.3850 71.2340 43.0540 H 149 ASP149 0.0394 2434 HB2 -1.5270 71.9830 44.1610 H 149 ASP149 0.0394 2435 CG -1.5080 69.8470 44.2500 C.2 149 ASP149 0.1780 2436 OD1 -1.9540 69.5740 45.3580 O.co2 149 ASP149 -0.6478 2437 OD2 -1.5960 69.0900 43.2920 O.co2 149 ASP149 -0.6478 2438 N 1.4760 69.5230 46.2190 N.am 150 LEU150 -0.2456 2439 H 1.0090 69.8510 47.0640 H 150 LEU150 0.1312 2440 CA 2.3780 68.3810 46.2980 C.3 150 LEU150 0.0880 2441 HA 2.8880 68.2390 45.3460 H 150 LEU150 0.0557 2442 C 1.5970 67.1020 46.5570 C.2 150 LEU150 0.2187 2443 O 2.1720 66.0740 46.9140 O.2 150 LEU150 -0.2778 2444 CB 3.4220 68.6270 47.4050 C.3 150 LEU150 -0.0266 2445 HB1 4.1310 67.7980 47.4200 H 150 LEU150 0.0287 2446 HB2 2.9270 68.6130 48.3780 H 150 LEU150 0.0287 2447 CG 4.2010 69.9520 47.2630 C.3 150 LEU150 -0.0449 2448 HG 3.4900 70.7770 47.3190 H 150 LEU150 0.0296 2449 CD1 5.1830 70.1300 48.4270 C.3 150 LEU150 -0.0626 2450 HD11 5.6890 71.0930 48.3710 H 150 LEU150 0.0232 2451 HD12 5.9440 69.3490 48.4270 H 150 LEU150 0.0232 2452 HD13 4.6640 70.0880 49.3850 H 150 LEU150 0.0232 2453 CD2 4.9420 70.0560 45.9240 C.3 150 LEU150 -0.0626 2454 HD21 5.5040 70.9890 45.8620 H 150 LEU150 0.0232 2455 HD22 4.2440 70.0410 45.0880 H 150 LEU150 0.0232 2456 HD23 5.6440 69.2320 45.7980 H 150 LEU150 0.0232 2457 N 0.2840 67.1830 46.3680 N.am 151 SER151 -0.2436 2458 H -0.1060 68.0560 46.0130 H 151 SER151 0.1312 2459 CA -0.6220 66.0740 46.6480 C.3 151 SER151 0.1109 2460 HA -0.4960 65.8410 47.7060 H 151 SER151 0.0580 2461 C -0.2870 64.8230 45.8430 C.2 151 SER151 0.2209 2462 O -0.3720 63.7100 46.3600 O.2 151 SER151 -0.2777 2463 CB -2.0760 66.5020 46.3820 C.3 151 SER151 0.0681 2464 HB1 -2.3160 67.4210 46.9320 H 151 SER151 0.0577 2465 HB2 -2.7470 65.7410 46.7820 H 151 SER151 0.0577 2466 OG -2.3850 66.6310 45.0010 O.3 151 SER151 -0.3930 2467 HG -2.0630 67.4750 44.6640 H 151 SER151 0.2095 2468 N 0.0950 65.0130 44.5820 N.am 152 ASP152 -0.2451 2469 H 0.1600 65.9660 44.2240 H 152 ASP152 0.1312 2470 CA 0.4240 63.9000 43.6930 C.3 152 ASP152 0.0974 2471 HA -0.4540 63.2540 43.7270 H 152 ASP152 0.0563 2472 C 1.5900 63.0780 44.2240 C.2 152 ASP152 0.2192 2473 O 1.6690 61.8720 43.9940 O.2 152 ASP152 -0.2778 2474 CB 0.6020 64.3660 42.2290 C.3 152 ASP152 0.0576 2475 HB1 -0.1470 65.1250 42.0010 H 152 ASP152 0.0394 2476 HB2 0.3890 63.5280 41.5690 H 152 ASP152 0.0394 2477 CG 1.9910 64.9030 41.7990 C.2 152 ASP152 0.1780 2478 OD1 2.0630 65.8680 41.0560 O.co2 152 ASP152 -0.6478 2479 OD2 3.0270 64.3630 42.1680 O.co2 152 ASP152 -0.6478 2480 N 2.4950 63.7450 44.9330 N.am 153 LEU153 -0.2456 2481 H 2.3660 64.7450 45.0830 H 153 LEU153 0.1312 2482 CA 3.6650 63.0920 45.5020 C.3 153 LEU153 0.0880 2483 HA 4.0110 62.3160 44.8180 H 153 LEU153 0.0557 2484 C 3.3260 62.4600 46.8430 C.2 153 LEU153 0.2187 2485 O 3.6650 61.3040 47.0940 O.2 153 LEU153 -0.2778 2486 CB 4.7700 64.1400 45.7690 C.3 153 LEU153 -0.0266 2487 HB1 5.6180 63.6600 46.2610 H 153 LEU153 0.0287 2488 HB2 4.3950 64.8760 46.4820 H 153 LEU153 0.0287 2489 CG 5.2870 64.8960 44.5360 C.3 153 LEU153 -0.0449 2490 HG 4.4320 65.3090 44.0030 H 153 LEU153 0.0296 2491 CD1 6.1570 66.0850 44.9660 C.3 153 LEU153 -0.0626 2492 HD11 6.4880 66.6620 44.1040 H 153 LEU153 0.0232 2493 HD12 7.0400 65.7520 45.5130 H 153 LEU153 0.0232 2494 HD13 5.6000 66.7590 45.6180 H 153 LEU153 0.0232 2495 CD2 6.0650 63.9700 43.5900 C.3 153 LEU153 -0.0626 2496 HD21 6.4610 64.5240 42.7410 H 153 LEU153 0.0232 2497 HD22 5.4270 63.1790 43.1970 H 153 LEU153 0.0232 2498 HD23 6.9060 63.4990 44.1000 H 153 LEU153 0.0232 2499 N 2.6520 63.2260 47.6980 N.am 154 GLU154 -0.2456 2500 H 2.4050 64.1760 47.4210 H 154 GLU154 0.1312 2501 CA 2.2550 62.7510 49.0200 C.3 154 GLU154 0.0883 2502 HA 3.1800 62.4270 49.4970 H 154 GLU154 0.0557 2503 C 1.3880 61.5020 48.9340 C.2 154 GLU154 0.2187 2504 O 1.4720 60.6190 49.7870 O.2 154 GLU154 -0.2778 2505 CB 1.6550 63.8760 49.8670 C.3 154 GLU154 -0.0193 2506 HB1 1.3370 63.4540 50.8210 H 154 GLU154 0.0290 2507 HB2 0.7630 64.2920 49.3980 H 154 GLU154 0.0290 2508 CG 2.7050 64.9780 50.0920 C.3 154 GLU154 0.0356 2509 HG1 2.6630 65.7110 49.2890 H 154 GLU154 0.0374 2510 HG2 3.7060 64.5530 50.0820 H 154 GLU154 0.0374 2511 CD 2.5760 65.6960 51.4370 C.2 154 GLU154 0.1760 2512 OE1 2.4490 65.0220 52.4580 O.co2 154 GLU154 -0.6478 2513 OE2 2.6150 66.9230 51.4480 O.co2 154 GLU154 -0.6478 2514 N 0.5580 61.4290 47.8980 N.am 155 ALA155 -0.2459 2515 H 0.5430 62.1860 47.2140 H 155 ALA155 0.1312 2516 CA -0.3300 60.2890 47.7210 C.3 155 ALA155 0.0850 2517 HA -0.7590 60.0400 48.6930 H 155 ALA155 0.0554 2518 C 0.4270 59.0750 47.1840 C.2 155 ALA155 0.2184 2519 O -0.0030 57.9370 47.3730 O.2 155 ALA155 -0.2778 2520 CB -1.4350 60.7000 46.7420 C.3 155 ALA155 -0.0411 2521 HB1 -2.1490 59.8920 46.5800 H 155 ALA155 0.0249 2522 HB2 -1.0200 60.9850 45.7740 H 155 ALA155 0.0249 2523 HB3 -1.9870 61.5590 47.1240 H 155 ALA155 0.0249 2524 N 1.5520 59.3150 46.5180 N.am 156 GLU156 -0.2456 2525 H 1.8530 60.2770 46.3630 H 156 GLU156 0.1312 2526 CA 2.3600 58.2130 46.0070 C.3 156 GLU156 0.0883 2527 HA 1.6640 57.4790 45.5960 H 156 GLU156 0.0557 2528 C 3.1300 57.5720 47.1540 C.2 156 GLU156 0.2187 2529 O 3.9850 58.2090 47.7700 O.2 156 GLU156 -0.2778 2530 CB 3.2690 58.6980 44.8700 C.3 156 GLU156 -0.0193 2531 HB1 3.9950 59.4300 45.2260 H 156 GLU156 0.0290 2532 HB2 2.6380 59.2200 44.1490 H 156 GLU156 0.0290 2533 CG 3.9810 57.5110 44.1960 C.3 156 GLU156 0.0356 2534 HG1 3.3130 56.6510 44.1630 H 156 GLU156 0.0374 2535 HG2 4.8440 57.2020 44.7840 H 156 GLU156 0.0374 2536 CD 4.4180 57.7520 42.7420 C.2 156 GLU156 0.1760 2537 OE1 3.9980 58.7080 42.0970 O.co2 156 GLU156 -0.6478 2538 OE2 5.1840 56.9530 42.2210 O.co2 156 GLU156 -0.6478 2539 N 2.8110 56.3120 47.4410 N.am 157 LYS157 -0.2457 2540 H 2.1310 55.8300 46.8530 H 157 LYS157 0.1312 2541 CA 3.4020 55.5960 48.5700 C.3 157 LYS157 0.0878 2542 HA 3.2060 56.2190 49.4450 H 157 LYS157 0.0557 2543 C 4.9180 55.4930 48.4610 C.2 157 LYS157 0.2187 2544 O 5.6370 55.8300 49.4020 O.2 157 LYS157 -0.2778 2545 CB 2.6950 54.2450 48.7540 C.3 157 LYS157 -0.0289 2546 HB1 3.1510 53.7080 49.5870 H 157 LYS157 0.0285 2547 HB2 2.8320 53.6250 47.8680 H 157 LYS157 0.0285 2548 CG 1.1940 54.4440 49.0350 C.3 157 LYS157 -0.0496 2549 HG1 0.7200 54.9260 48.1790 H 157 LYS157 0.0266 2550 HG2 1.0810 55.1360 49.8710 H 157 LYS157 0.0266 2551 CD 0.4430 53.1460 49.3560 C.3 157 LYS157 -0.0278 2552 HD1 0.9090 52.6640 50.2170 H 157 LYS157 0.0282 2553 HD2 0.5420 52.4540 48.5190 H 157 LYS157 0.0282 2554 CE -1.0410 53.4150 49.6450 C.3 157 LYS157 0.1103 2555 HE1 -1.5150 53.8790 48.7760 H 157 LYS157 0.0559 2556 HE2 -1.1400 54.1210 50.4740 H 157 LYS157 0.0559 2557 NZ -1.7970 52.2070 49.9870 N.4 157 LYS157 -0.0749 2558 HZ1 -2.7920 52.4530 50.1730 H 157 LYS157 0.2742 2559 HZ2 -1.3910 51.7660 50.8380 H 157 LYS157 0.2742 2560 HZ3 -1.7550 51.5300 49.1980 H 157 LYS157 0.2742 2561 N 5.3920 55.0310 47.3080 N.am 158 LEU158 -0.2456 2562 H 4.7370 54.8260 46.5530 H 158 LEU158 0.1312 2563 CA 6.8170 54.8070 47.0840 C.3 158 LEU158 0.0880 2564 HA 7.1220 54.0360 47.7910 H 158 LEU158 0.0557 2565 C 7.6480 56.0660 47.3470 C.2 158 LEU158 0.2187 2566 O 8.7330 55.9900 47.9250 O.2 158 LEU158 -0.2778 2567 CB 6.9580 54.3270 45.6270 C.3 158 LEU158 -0.0266 2568 HB1 6.6930 55.1460 44.9550 H 158 LEU158 0.0287 2569 HB2 6.2200 53.5460 45.4400 H 158 LEU158 0.0287 2570 CG 8.3420 53.7800 45.2460 C.3 158 LEU158 -0.0449 2571 HG 9.0790 54.5500 45.4630 H 158 LEU158 0.0296 2572 CD1 8.6960 52.5220 46.0540 C.3 158 LEU158 -0.0626 2573 HD11 9.6500 52.1010 45.7390 H 158 LEU158 0.0232 2574 HD12 7.9400 51.7480 45.9270 H 158 LEU158 0.0232 2575 HD13 8.7810 52.7410 47.1180 H 158 LEU158 0.0232 2576 CD2 8.4040 53.4940 43.7390 C.3 158 LEU158 -0.0626 2577 HD21 9.3830 53.1250 43.4360 H 158 LEU158 0.0232 2578 HD22 8.2060 54.3990 43.1640 H 158 LEU158 0.0232 2579 HD23 7.6670 52.7440 43.4510 H 158 LEU158 0.0232 2580 N 7.1290 57.2200 46.9360 N.am 159 VAL159 -0.2454 2581 H 6.2130 57.2210 46.4870 H 159 VAL159 0.1312 2582 CA 7.8370 58.4850 47.1120 C.3 159 VAL159 0.0901 2583 HA 8.8280 58.3630 46.6710 H 159 VAL159 0.0560 2584 C 8.0370 58.8100 48.5870 C.2 159 VAL159 0.2189 2585 O 9.1510 59.1040 49.0200 O.2 159 VAL159 -0.2778 2586 CB 7.0760 59.6110 46.3710 C.3 159 VAL159 -0.0227 2587 HB 6.0380 59.5970 46.7080 H 159 VAL159 0.0315 2588 CG1 7.6370 61.0160 46.6640 C.3 159 VAL159 -0.0608 2589 HG11 7.1190 61.7740 46.0770 H 159 VAL159 0.0233 2590 HG12 8.6980 61.0760 46.4240 H 159 VAL159 0.0233 2591 HG13 7.5180 61.2890 47.7130 H 159 VAL159 0.0233 2592 CG2 7.0780 59.3720 44.8530 C.3 159 VAL159 -0.0608 2593 HG21 6.4490 60.1030 44.3450 H 159 VAL159 0.0233 2594 HG22 6.7060 58.3840 44.5900 H 159 VAL159 0.0233 2595 HG23 8.0860 59.4590 44.4450 H 159 VAL159 0.0233 2596 N 6.9510 58.7480 49.3530 N.am 160 MET160 -0.2456 2597 H 6.0610 58.4890 48.9280 H 160 MET160 0.1312 2598 CA 6.9940 59.0390 50.7840 C.3 160 MET160 0.0885 2599 HA 7.5210 59.9890 50.8860 H 160 MET160 0.0557 2600 C 7.8160 58.0060 51.5410 C.2 160 MET160 0.2187 2601 O 8.3660 58.2960 52.6060 O.2 160 MET160 -0.2778 2602 CB 5.5640 59.1890 51.3230 C.3 160 MET160 -0.0199 2603 HB1 5.5970 59.3860 52.3950 H 160 MET160 0.0293 2604 HB2 5.0200 58.2530 51.1920 H 160 MET160 0.0293 2605 CG 4.7900 60.3290 50.6370 C.3 160 MET160 -0.0047 2606 HG1 3.7880 60.4300 51.0540 H 160 MET160 0.0377 2607 HG2 4.6440 60.1030 49.5800 H 160 MET160 0.0377 2608 SD 5.6670 61.9050 50.7520 S.3 160 MET160 -0.1641 2609 CE 4.6800 62.7110 52.0300 C.3 160 MET160 -0.0181 2610 HE1 4.9360 63.7690 52.1000 H 160 MET160 0.0340 2611 HE2 4.8370 62.2310 52.9950 H 160 MET160 0.0340 2612 HE3 3.6190 62.6420 51.7930 H 160 MET160 0.0340 2613 N 7.8890 56.8010 50.9830 N.am 161 PHE161 -0.2453 2614 H 7.4300 56.6440 50.0860 H 161 PHE161 0.1312 2615 CA 8.6040 55.6990 51.6120 C.3 161 PHE161 0.0917 2616 HA 8.2150 55.6060 52.6270 H 161 PHE161 0.0560 2617 C 10.0980 55.9770 51.6940 C.2 161 PHE161 0.2190 2618 O 10.7020 55.8530 52.7590 O.2 161 PHE161 -0.2778 2619 CB 8.3110 54.4170 50.8120 C.3 161 PHE161 -0.0036 2620 HB1 8.7150 54.4920 49.8040 H 161 PHE161 0.0333 2621 HB2 7.2340 54.3020 50.6920 H 161 PHE161 0.0333 2622 CG 8.8560 53.1710 51.4590 C.ar 161 PHE161 -0.0454 2623 CD1 10.1360 52.7190 51.1530 C.ar 161 PHE161 -0.0585 2624 HD1 10.7550 53.2780 50.4660 H 161 PHE161 0.0620 2625 CD2 8.0720 52.4340 52.3410 C.ar 161 PHE161 -0.0585 2626 HD2 7.0730 52.7660 52.5800 H 161 PHE161 0.0620 2627 CE1 10.6290 51.5540 51.7250 C.ar 161 PHE161 -0.0615 2628 HE1 11.6250 51.2130 51.4830 H 161 PHE161 0.0618 2629 CE2 8.5590 51.2620 52.9070 C.ar 161 PHE161 -0.0615 2630 HE2 7.9410 50.6890 53.5830 H 161 PHE161 0.0618 2631 CZ 9.8390 50.8230 52.6020 C.ar 161 PHE161 -0.0617 2632 HZ 10.2190 49.9120 53.0400 H 161 PHE161 0.0618 2633 N 10.6950 56.3480 50.5660 N.am 162 GLN162 -0.2456 2634 H 10.1500 56.4190 49.7060 H 162 GLN162 0.1312 2635 CA 12.1180 56.6540 50.5450 C.3 162 GLN162 0.0882 2636 HA 12.6170 55.8160 51.0350 H 162 GLN162 0.0557 2637 C 12.3930 57.9060 51.3670 C.2 162 GLN162 0.2187 2638 O 13.5060 58.1010 51.8450 O.2 162 GLN162 -0.2778 2639 CB 12.7200 56.8330 49.1230 C.3 162 GLN162 -0.0210 2640 HB1 12.2670 56.1180 48.4360 H 162 GLN162 0.0289 2641 HB2 13.7670 56.5370 49.2090 H 162 GLN162 0.0289 2642 CG 12.6840 58.2660 48.5080 C.3 162 GLN162 0.0225 2643 HG1 12.8840 59.0260 49.2560 H 162 GLN162 0.0356 2644 HG2 11.7050 58.4980 48.0890 H 162 GLN162 0.0356 2645 CD 13.7780 58.5250 47.4510 C.2 162 GLN162 0.1981 2646 OE1 14.2710 59.6320 47.2890 O.2 162 GLN162 -0.2798 2647 NE2 14.1470 57.4570 46.7420 N.am 162 GLN162 -0.2724 2648 HE21 14.8350 57.5450 46.0230 H 162 GLN162 0.1266 2649 HE22 13.7450 56.5630 46.9260 H 162 GLN162 0.1266 2650 N 11.3760 58.7470 51.5350 N.am 163 ARG163 -0.2457 2651 H 10.4770 58.5380 51.1010 H 163 ARG163 0.1312 2652 CA 11.5240 59.9610 52.3270 C.3 163 ARG163 0.0879 2653 HA 12.4050 60.4810 51.9460 H 163 ARG163 0.0557 2654 C 11.7840 59.6090 53.7840 C.2 163 ARG163 0.2187 2655 O 12.5870 60.2570 54.4550 O.2 163 ARG163 -0.2778 2656 CB 10.2940 60.8740 52.1550 C.3 163 ARG163 -0.0258 2657 HB1 9.3810 60.3450 52.4030 H 163 ARG163 0.0286 2658 HB2 10.2030 61.1080 51.0940 H 163 ARG163 0.0286 2659 CG 10.3240 62.1780 52.9820 C.3 163 ARG163 -0.0154 2660 HG1 11.3520 62.5200 53.1040 H 163 ARG163 0.0299 2661 HG2 9.9480 61.9790 53.9860 H 163 ARG163 0.0299 2662 CD 9.5140 63.3040 52.3160 C.3 163 ARG163 0.1045 2663 HD1 8.8090 62.9010 51.5870 H 163 ARG163 0.0711 2664 HD2 10.1750 63.9790 51.7760 H 163 ARG163 0.0711 2665 NE 8.7180 64.1060 53.2470 N.pl3 163 ARG163 -0.4450 2666 HE 7.7700 63.8910 53.4570 H 163 ARG163 0.3153 2667 CZ 9.1660 65.2090 53.8440 C.cat 163 ARG163 0.5062 2668 NH1 10.4010 65.5940 53.7630 N.pl3 163 ARG163 -0.4573 2669 HH11 10.6230 66.4600 54.2540 H 163 ARG163 0.3114 2670 HH12 11.1020 65.1100 53.2590 H 163 ARG163 0.3114 2671 NH2 8.3500 65.9480 54.5280 N.pl3 163 ARG163 -0.4573 2672 HH21 8.7770 66.7860 54.9240 H 163 ARG163 0.3114 2673 HH22 7.3880 65.7680 54.6660 H 163 ARG163 0.3114 2674 N 11.1070 58.5690 54.2570 N.am 164 ARG164 -0.2457 2675 H 10.4540 58.0840 53.6420 H 164 ARG164 0.1312 2676 CA 11.2680 58.0990 55.6260 C.3 164 ARG164 0.0879 2677 HA 11.2500 58.9890 56.2580 H 164 ARG164 0.0557 2678 C 12.6170 57.4140 55.8200 C.2 164 ARG164 0.2187 2679 O 13.4130 57.8100 56.6740 O.2 164 ARG164 -0.2778 2680 CB 10.0880 57.1820 55.9900 C.3 164 ARG164 -0.0258 2681 HB1 10.1300 56.2520 55.4210 H 164 ARG164 0.0286 2682 HB2 9.1680 57.6800 55.6780 H 164 ARG164 0.0286 2683 CG 10.0100 56.8940 57.4980 C.3 164 ARG164 -0.0154 2684 HG1 10.0910 57.8420 58.0330 H 164 ARG164 0.0299 2685 HG2 10.8630 56.2920 57.8120 H 164 ARG164 0.0299 2686 CD 8.7020 56.2080 57.9140 C.3 164 ARG164 0.1045 2687 HD1 8.6580 55.1670 57.5900 H 164 ARG164 0.0711 2688 HD2 7.8470 56.7170 57.4630 H 164 ARG164 0.0711 2689 NE 8.5270 56.3220 59.3670 N.pl3 164 ARG164 -0.4450 2690 HE 8.2500 57.2120 59.7260 H 164 ARG164 0.3153 2691 CZ 8.7070 55.3580 60.2680 C.cat 164 ARG164 0.5062 2692 NH1 9.0510 54.1450 59.9320 N.pl3 164 ARG164 -0.4573 2693 HH11 9.1940 53.4440 60.6250 H 164 ARG164 0.3114 2694 HH12 9.1720 53.9030 58.9680 H 164 ARG164 0.3114 2695 NH2 8.5330 55.6320 61.5330 N.pl3 164 ARG164 -0.4573 2696 HH21 8.6610 54.9220 62.2200 H 164 ARG164 0.3114 2697 HH22 8.2730 56.5520 61.8160 H 164 ARG164 0.3114 2698 N 12.8710 56.3940 55.0080 N.am 165 TYR165 -0.2453 2699 H 12.1980 56.1680 54.2760 H 165 TYR165 0.1312 2700 CA 14.0780 55.5870 55.1270 C.3 165 TYR165 0.0917 2701 HA 14.4290 55.6350 56.1590 H 165 TYR165 0.0560 2702 C 15.1950 56.1080 54.2240 C.2 165 TYR165 0.2190 2703 O 15.8700 55.3340 53.5440 O.2 165 TYR165 -0.2778 2704 CB 13.7320 54.1320 54.7680 C.3 165 TYR165 -0.0036 2705 HB1 14.5780 53.4750 54.9740 H 165 TYR165 0.0333 2706 HB2 13.5230 54.0460 53.7000 H 165 TYR165 0.0333 2707 CG 12.5340 53.6480 55.5400 C.ar 165 TYR165 -0.0453 2708 CD1 11.3080 53.4830 54.9030 C.ar 165 TYR165 -0.0561 2709 HD1 11.2200 53.6670 53.8420 H 165 TYR165 0.0621 2710 CD2 12.6230 53.4080 56.9080 C.ar 165 TYR165 -0.0561 2711 HD2 13.5700 53.5300 57.4140 H 165 TYR165 0.0621 2712 CE1 10.1830 53.1090 55.6230 C.ar 165 TYR165 -0.0317 2713 HE1 9.2330 53.0070 55.1210 H 165 TYR165 0.0643 2714 CE2 11.4990 53.0310 57.6300 C.ar 165 TYR165 -0.0317 2715 HE2 11.5760 52.8490 58.6910 H 165 TYR165 0.0643 2716 CZ 10.2780 52.8890 56.9880 C.ar 165 TYR165 0.0726 2717 OH 9.1490 52.5580 57.7090 O.3 165 TYR165 -0.3598 2718 HH 8.5680 52.0520 57.1500 H 165 TYR165 0.2173 2719 N 15.3970 57.4200 54.2290 N.am 166 TYR166 -0.2453 2720 H 14.8700 58.0050 54.8770 H 166 TYR166 0.1312 2721 CA 16.3570 58.0400 53.3260 C.3 166 TYR166 0.0917 2722 HA 16.3090 57.4660 52.3980 H 166 TYR166 0.0560 2723 C 17.7880 57.9430 53.8360 C.2 166 TYR166 0.2190 2724 O 18.6790 57.5210 53.1020 O.2 166 TYR166 -0.2778 2725 CB 15.9720 59.5050 53.0180 C.3 166 TYR166 -0.0036 2726 HB1 16.2580 60.1700 53.8340 H 166 TYR166 0.0333 2727 HB2 14.8930 59.6150 52.9290 H 166 TYR166 0.0333 2728 CG 16.5970 59.9650 51.7230 C.ar 166 TYR166 -0.0453 2729 CD1 16.2250 59.3730 50.5180 C.ar 166 TYR166 -0.0561 2730 HD1 15.4340 58.6400 50.4860 H 166 TYR166 0.0621 2731 CD2 17.5790 60.9500 51.7070 C.ar 166 TYR166 -0.0561 2732 HD2 17.8640 61.4460 52.6230 H 166 TYR166 0.0621 2733 CE1 16.8830 59.6940 49.3410 C.ar 166 TYR166 -0.0317 2734 HE1 16.5930 59.2460 48.4050 H 166 TYR166 0.0643 2735 CE2 18.2560 61.2520 50.5300 C.ar 166 TYR166 -0.0317 2736 HE2 19.0560 61.9760 50.5350 H 166 TYR166 0.0643 2737 CZ 17.9390 60.5830 49.3590 C.ar 166 TYR166 0.0726 2738 OH 18.6810 60.7670 48.2140 O.3 166 TYR166 -0.3598 2739 HH 19.0310 61.6460 48.2090 H 166 TYR166 0.2173 2740 N 18.0040 58.3500 55.0850 N.am 167 LYS167 -0.2456 2741 H 17.2200 58.7060 55.6320 H 167 LYS167 0.1312 2742 CA 19.3320 58.3020 55.6950 C.3 167 LYS167 0.0880 2743 HA 19.9630 58.9360 55.0750 H 167 LYS167 0.0557 2744 C 19.9490 56.8940 55.6610 C.2 167 LYS167 0.2213 2745 O 21.1280 56.7550 55.3460 O.2 167 LYS167 -0.2776 2746 CB 19.3070 58.8850 57.1220 C.3 167 LYS167 -0.0289 2747 HB1 18.7330 58.2430 57.7850 H 167 LYS167 0.0285 2748 HB2 18.7760 59.8380 57.1060 H 167 LYS167 0.0285 2749 CG 20.7070 59.1020 57.7280 C.3 167 LYS167 -0.0496 2750 HG1 21.1570 60.0010 57.3050 H 167 LYS167 0.0266 2751 HG2 21.3660 58.2820 57.4400 H 167 LYS167 0.0266 2752 CD 20.7020 59.1670 59.2630 C.3 167 LYS167 -0.0278 2753 HD1 21.7330 59.2480 59.6120 H 167 LYS167 0.0282 2754 HD2 20.3260 58.2210 59.6540 H 167 LYS167 0.0282 2755 CE 19.8770 60.3270 59.8350 C.3 167 LYS167 0.1103 2756 HE1 18.8390 60.2600 59.5020 H 167 LYS167 0.0559 2757 HE2 20.2700 61.2830 59.4800 H 167 LYS167 0.0559 2758 NZ 19.8800 60.3430 61.3020 N.4 167 LYS167 -0.0749 2759 HZ1 19.3070 61.1390 61.6520 H 167 LYS167 0.2742 2760 HZ2 20.8550 60.4440 61.6530 H 167 LYS167 0.2742 2761 HZ3 19.4820 59.4530 61.6650 H 167 LYS167 0.2742 2762 N 19.1680 55.8430 55.9830 N.am 168 PRO168 -0.2316 2763 CA 19.7740 54.5200 55.7910 C.3 168 PRO168 0.0907 2764 HA 20.7230 54.4870 56.3310 H 168 PRO168 0.0559 2765 C 19.9930 54.2080 54.3140 C.2 168 PRO168 0.2187 2766 O 21.0670 53.7480 53.9240 O.2 168 PRO168 -0.2778 2767 CB 18.7380 53.5670 56.4200 C.3 168 PRO168 -0.0276 2768 HB1 19.2090 52.7960 57.0310 H 168 PRO168 0.0285 2769 HB2 18.1480 53.0520 55.6600 H 168 PRO168 0.0285 2770 CG 17.8000 54.4560 57.2390 C.3 168 PRO168 -0.0379 2771 HG1 18.1980 54.5700 58.2470 H 168 PRO168 0.0278 2772 HG2 16.7940 54.0430 57.3210 H 168 PRO168 0.0278 2773 CD 17.8230 55.8070 56.5290 C.3 168 PRO168 0.0071 2774 HD1 17.1560 55.8140 55.6800 H 168 PRO168 0.0431 2775 HD2 17.6160 56.6420 57.1900 H 168 PRO168 0.0431 2776 N 18.9700 54.4650 53.5060 N.am 169 GLY169 -0.2485 2777 H 18.1300 54.8930 53.8950 H 169 GLY169 0.1309 2778 CA 19.0080 54.1580 52.0890 C.3 169 GLY169 0.0765 2779 HA1 18.0480 54.4640 51.6750 H 169 GLY169 0.0521 2780 HA2 19.1050 53.0770 51.9830 H 169 GLY169 0.0521 2781 C 20.1210 54.8470 51.3240 C.2 169 GLY169 0.2155 2782 O 20.7540 54.2430 50.4570 O.2 169 GLY169 -0.2781 2783 N 20.3620 56.1160 51.6330 N.am 170 LEU170 -0.2459 2784 H 19.8290 56.5680 52.3760 H 170 LEU170 0.1312 2785 CA 21.3830 56.8650 50.9170 C.3 170 LEU170 0.0880 2786 HA 21.2820 56.6250 49.8560 H 170 LEU170 0.0557 2787 C 22.7730 56.4380 51.3740 C.2 170 LEU170 0.2187 2788 O 23.7020 56.3860 50.5720 O.2 170 LEU170 -0.2778 2789 CB 21.1650 58.3840 51.1070 C.3 170 LEU170 -0.0266 2790 HB1 20.1070 58.5820 50.9300 H 170 LEU170 0.0287 2791 HB2 21.6880 58.9280 50.3180 H 170 LEU170 0.0287 2792 CG 21.5760 58.9740 52.4810 C.3 170 LEU170 -0.0449 2793 HG 21.4150 58.2220 53.2510 H 170 LEU170 0.0296 2794 CD1 23.0500 59.4200 52.5220 C.3 170 LEU170 -0.0626 2795 HD11 23.3010 59.8400 53.4960 H 170 LEU170 0.0232 2796 HD12 23.2420 60.1860 51.7740 H 170 LEU170 0.0232 2797 HD13 23.7540 58.6130 52.3380 H 170 LEU170 0.0232 2798 CD2 20.6940 60.1700 52.8480 C.3 170 LEU170 -0.0626 2799 HD21 21.0150 60.6310 53.7820 H 170 LEU170 0.0232 2800 HD22 19.6610 59.8590 52.9760 H 170 LEU170 0.0232 2801 HD23 20.7200 60.9320 52.0730 H 170 LEU170 0.0232 2802 N 22.9120 56.1360 52.6620 N.am 171 LEU171 -0.2456 2803 H 22.1150 56.2450 53.2890 H 171 LEU171 0.1312 2804 CA 24.1800 55.6520 53.1970 C.3 171 LEU171 0.0880 2805 HA 24.9210 56.4120 52.9650 H 171 LEU171 0.0557 2806 C 24.6180 54.3940 52.4620 C.2 171 LEU171 0.2187 2807 O 25.7690 54.2720 52.0470 O.2 171 LEU171 -0.2778 2808 CB 24.0980 55.4430 54.7170 C.3 171 LEU171 -0.0266 2809 HB1 24.9200 54.8100 55.0560 H 171 LEU171 0.0287 2810 HB2 23.1830 54.8970 54.9490 H 171 LEU171 0.0287 2811 CG 24.1420 56.7600 55.5180 C.3 171 LEU171 -0.0449 2812 HG 23.4090 57.4490 55.1000 H 171 LEU171 0.0296 2813 CD1 23.7740 56.5080 56.9870 C.3 171 LEU171 -0.0626 2814 HD11 23.7440 57.4410 57.5490 H 171 LEU171 0.0232 2815 HD12 24.5030 55.8530 57.4650 H 171 LEU171 0.0232 2816 HD13 22.7970 56.0340 57.0770 H 171 LEU171 0.0232 2817 CD2 25.5150 57.4440 55.4310 C.3 171 LEU171 -0.0626 2818 HD21 25.5440 58.3390 56.0520 H 171 LEU171 0.0232 2819 HD22 25.7540 57.7560 54.4150 H 171 LEU171 0.0232 2820 HD23 26.3090 56.7780 55.7710 H 171 LEU171 0.0232 2821 N 23.6810 53.4720 52.2880 N.am 172 MET172 -0.2456 2822 H 22.7460 53.6350 52.6610 H 172 MET172 0.1312 2823 CA 23.9560 52.2350 51.5780 C.3 172 MET172 0.0885 2824 HA 24.8490 51.8100 52.0340 H 172 MET172 0.0557 2825 C 24.2560 52.4910 50.1050 C.2 172 MET172 0.2187 2826 O 25.3320 52.1530 49.6150 O.2 172 MET172 -0.2778 2827 CB 22.7720 51.2740 51.7620 C.3 172 MET172 -0.0199 2828 HB1 21.8640 51.7130 51.3470 H 172 MET172 0.0293 2829 HB2 22.5790 51.1590 52.8280 H 172 MET172 0.0293 2830 CG 23.0080 49.8890 51.1370 C.3 172 MET172 -0.0047 2831 HG1 22.9990 49.9560 50.0480 H 172 MET172 0.0377 2832 HG2 22.1930 49.2240 51.4230 H 172 MET172 0.0377 2833 SD 24.5730 49.1470 51.6540 S.3 172 MET172 -0.1641 2834 CE 24.3410 49.1520 53.4410 C.3 172 MET172 -0.0181 2835 HE1 24.9820 48.4020 53.9030 H 172 MET172 0.0340 2836 HE2 23.3090 48.9030 53.6890 H 172 MET172 0.0340 2837 HE3 24.5740 50.1330 53.8560 H 172 MET172 0.0340 2838 N 23.3010 53.1120 49.4190 N.am 173 MET173 -0.2456 2839 H 22.5190 53.5200 49.9310 H 173 MET173 0.1312 2840 CA 23.3250 53.2340 47.9640 C.3 173 MET173 0.0885 2841 HA 23.6050 52.2490 47.5860 H 173 MET173 0.0557 2842 C 24.3820 54.1810 47.4190 C.2 173 MET173 0.2187 2843 O 24.7960 54.0510 46.2660 O.2 173 MET173 -0.2778 2844 CB 21.9180 53.5710 47.4560 C.3 173 MET173 -0.0199 2845 HB1 21.9390 53.7900 46.3890 H 173 MET173 0.0293 2846 HB2 21.5480 54.4730 47.9450 H 173 MET173 0.0293 2847 CG 20.9500 52.4050 47.6920 C.3 173 MET173 -0.0047 2848 HG1 19.9540 52.6740 47.3630 H 173 MET173 0.0377 2849 HG2 20.8610 52.1630 48.7510 H 173 MET173 0.0377 2850 SD 21.4420 50.9280 46.7820 S.3 173 MET173 -0.1641 2851 CE 20.0200 49.8920 47.1650 C.3 173 MET173 -0.0181 2852 HE1 20.0230 48.9970 46.5430 H 173 MET173 0.0340 2853 HE2 19.0960 50.4380 46.9740 H 173 MET173 0.0340 2854 HE3 20.0310 49.6100 48.2180 H 173 MET173 0.0340 2855 N 24.8130 55.1360 48.2320 N.am 174 CYS174 -0.2449 2856 H 24.5240 55.1410 49.2100 H 174 CYS174 0.1312 2857 CA 25.6970 56.1750 47.7310 C.3 174 CYS174 0.0965 2858 HA 25.7800 56.0890 46.6490 H 174 CYS174 0.0565 2859 C 27.1110 56.0820 48.2900 C.2 174 CYS174 0.2195 2860 O 28.0310 56.6980 47.7520 O.2 174 CYS174 -0.2778 2861 CB 25.0870 57.5490 48.0470 C.3 174 CYS174 0.0147 2862 HB1 25.0890 57.7280 49.1210 H 174 CYS174 0.0394 2863 HB2 24.0400 57.5660 47.7390 H 174 CYS174 0.0394 2864 SG 25.9410 58.9300 47.2360 S.3 174 CYS174 -0.1762 2865 HG 25.5800 60.0780 47.8170 H 174 CYS174 0.1017 2866 N 27.2960 55.3100 49.3560 N.am 175 PHE175 -0.2453 2867 H 26.5270 54.7440 49.7130 H 175 PHE175 0.1312 2868 CA 28.5970 55.2700 50.0170 C.3 175 PHE175 0.0917 2869 HA 29.3500 55.7080 49.3590 H 175 PHE175 0.0560 2870 C 29.1070 53.8550 50.2800 C.2 175 PHE175 0.2190 2871 O 30.1270 53.4470 49.7220 O.2 175 PHE175 -0.2778 2872 CB 28.5540 56.0940 51.3150 C.3 175 PHE175 -0.0036 2873 HB1 29.5000 56.0100 51.8510 H 175 PHE175 0.0333 2874 HB2 27.7840 55.7180 51.9870 H 175 PHE175 0.0333 2875 CG 28.2970 57.5530 51.0420 C.ar 175 PHE175 -0.0454 2876 CD1 27.0270 58.0910 51.2210 C.ar 175 PHE175 -0.0585 2877 HD1 26.2150 57.4610 51.5500 H 175 PHE175 0.0620 2878 CD2 29.3210 58.3770 50.5840 C.ar 175 PHE175 -0.0585 2879 HD2 30.3110 57.9720 50.4310 H 175 PHE175 0.0620 2880 CE1 26.7850 59.4320 50.9610 C.ar 175 PHE175 -0.0615 2881 HE1 25.7940 59.8340 51.1120 H 175 PHE175 0.0618 2882 CE2 29.0800 59.7180 50.3150 C.ar 175 PHE175 -0.0615 2883 HE2 29.8820 60.3510 49.9610 H 175 PHE175 0.0618 2884 CZ 27.8120 60.2480 50.5070 C.ar 175 PHE175 -0.0617 2885 HZ 27.6250 61.2920 50.3060 H 175 PHE175 0.0618 2886 N 28.4050 53.1140 51.1310 N.am 176 ILE176 -0.2454 2887 H 27.5330 53.4810 51.5120 H 176 ILE176 0.1312 2888 CA 28.8590 51.7850 51.5310 C.3 176 ILE176 0.0903 2889 HA 29.8900 51.9000 51.8710 H 176 ILE176 0.0560 2890 C 28.9110 50.8360 50.3320 C.2 176 ILE176 0.2189 2891 O 29.9760 50.3300 49.9830 O.2 176 ILE176 -0.2778 2892 CB 28.0000 51.2480 52.7080 C.3 176 ILE176 -0.0201 2893 HB 26.9500 51.4220 52.4770 H 176 ILE176 0.0318 2894 CG1 28.3330 51.9520 54.0440 C.3 176 ILE176 -0.0514 2895 HG11 29.4140 52.0020 54.1780 H 176 ILE176 0.0266 2896 HG12 27.9640 51.3420 54.8700 H 176 ILE176 0.0266 2897 CG2 28.1630 49.7300 52.9100 C.3 176 ILE176 -0.0605 2898 HG21 27.5870 49.3810 53.7680 H 176 ILE176 0.0233 2899 HG22 29.2080 49.4750 53.0840 H 176 ILE176 0.0233 2900 HG23 27.8100 49.1610 52.0500 H 176 ILE176 0.0233 2901 CD1 27.7220 53.3450 54.2210 C.3 176 ILE176 -0.0650 2902 HD11 27.9600 53.7450 55.2060 H 176 ILE176 0.0230 2903 HD12 26.6360 53.3020 54.1450 H 176 ILE176 0.0230 2904 HD13 28.0960 54.0550 53.4880 H 176 ILE176 0.0230 2905 N 27.7640 50.6180 49.6950 N.am 177 LEU177 -0.2456 2906 H 26.9290 51.1200 49.9970 H 177 LEU177 0.1312 2907 CA 27.6620 49.6820 48.5760 C.3 177 LEU177 0.0883 2908 HA 27.9920 48.7250 48.9810 H 177 LEU177 0.0557 2909 C 28.5900 50.0040 47.3900 C.2 177 LEU177 0.2214 2910 O 29.2310 49.1000 46.8580 O.2 177 LEU177 -0.2776 2911 CB 26.1800 49.5600 48.1500 C.3 177 LEU177 -0.0266 2912 HB1 25.7970 50.5100 47.7850 H 177 LEU177 0.0287 2913 HB2 25.6020 49.3530 49.0510 H 177 LEU177 0.0287 2914 CG 25.8330 48.4710 47.1120 C.3 177 LEU177 -0.0449 2915 HG 24.7460 48.3780 47.1370 H 177 LEU177 0.0296 2916 CD1 26.1770 48.8640 45.6650 C.3 177 LEU177 -0.0626 2917 HD11 25.6850 48.1950 44.9590 H 177 LEU177 0.0232 2918 HD12 27.2430 48.8060 45.4570 H 177 LEU177 0.0232 2919 HD13 25.8450 49.8780 45.4400 H 177 LEU177 0.0232 2920 CD2 26.4020 47.0970 47.4850 C.3 177 LEU177 -0.0626 2921 HD21 26.0580 46.3300 46.7910 H 177 LEU177 0.0232 2922 HD22 26.0900 46.8030 48.4880 H 177 LEU177 0.0232 2923 HD23 27.4900 47.0990 47.4620 H 177 LEU177 0.0232 2924 N 28.6630 51.2790 46.9590 N.am 178 PRO178 -0.2316 2925 CA 29.5420 51.5230 45.8090 C.3 178 PRO178 0.0907 2926 HA 29.3410 50.7430 45.0720 H 178 PRO178 0.0559 2927 C 31.0380 51.4530 46.1410 C.2 178 PRO178 0.2190 2928 O 31.8590 51.4950 45.2240 O.2 178 PRO178 -0.2778 2929 CB 29.0580 52.8550 45.2310 C.3 178 PRO178 -0.0276 2930 HB1 28.8010 52.7550 44.1750 H 178 PRO178 0.0285 2931 HB2 29.8320 53.6110 45.2790 H 178 PRO178 0.0285 2932 CG 27.8250 53.2390 46.0580 C.3 178 PRO178 -0.0379 2933 HG1 26.9320 52.8970 45.5400 H 178 PRO178 0.0278 2934 HG2 27.7330 54.3140 46.2070 H 178 PRO178 0.0278 2935 CD 27.9330 52.4620 47.3690 C.3 178 PRO178 0.0071 2936 HD1 28.5680 52.9860 48.0610 H 178 PRO178 0.0431 2937 HD2 26.9690 52.2310 47.8100 H 178 PRO178 0.0431 2938 N 31.3820 51.3560 47.4230 N.am 179 THR179 -0.2434 2939 H 30.6530 51.3790 48.1360 H 179 THR179 0.1313 2940 CA 32.7760 51.2180 47.8350 C.3 179 THR179 0.1135 2941 HA 33.4190 51.6550 47.0680 H 179 THR179 0.0583 2942 C 33.1600 49.7570 47.9870 C.2 179 THR179 0.2212 2943 O 34.2790 49.3550 47.6730 O.2 179 THR179 -0.2777 2944 CB 32.9960 51.9740 49.1620 C.3 179 THR179 0.0763 2945 HB 32.2470 51.6120 49.8760 H 179 THR179 0.0611 2946 OG1 32.8020 53.3610 48.9230 O.3 179 THR179 -0.3900 2947 HG1 32.8180 53.8490 49.7400 H 179 THR179 0.2098 2948 CG2 34.4050 51.7620 49.7480 C.3 179 THR179 -0.0370 2949 HG21 34.5300 52.2850 50.6950 H 179 THR179 0.0255 2950 HG22 35.1680 52.1190 49.0560 H 179 THR179 0.0255 2951 HG23 34.6080 50.7110 49.9510 H 179 THR179 0.0255 2952 N 32.2210 48.9590 48.4710 N.am 180 LEU180 -0.2456 2953 H 31.2820 49.3240 48.6280 H 180 LEU180 0.1312 2954 CA 32.5130 47.5720 48.7800 C.3 180 LEU180 0.0880 2955 HA 33.4350 47.5530 49.3610 H 180 LEU180 0.0557 2956 C 32.7520 46.7430 47.5250 C.2 180 LEU180 0.2187 2957 O 33.7490 46.0260 47.4310 O.2 180 LEU180 -0.2778 2958 CB 31.3470 46.9630 49.5780 C.3 180 LEU180 -0.0266 2959 HB1 31.4370 45.8760 49.6050 H 180 LEU180 0.0287 2960 HB2 30.4160 47.1740 49.0480 H 180 LEU180 0.0287 2961 CG 31.2360 47.4680 51.0270 C.3 180 LEU180 -0.0449 2962 HG 31.2450 48.5570 51.0260 H 180 LEU180 0.0296 2963 CD1 29.9060 47.0100 51.6370 C.3 180 LEU180 -0.0626 2964 HD11 29.8130 47.3360 52.6730 H 180 LEU180 0.0232 2965 HD12 29.8240 45.9230 51.6270 H 180 LEU180 0.0232 2966 HD13 29.0610 47.4140 51.0790 H 180 LEU180 0.0232 2967 CD2 32.4110 46.9930 51.8930 C.3 180 LEU180 -0.0626 2968 HD21 32.2930 47.3250 52.9250 H 180 LEU180 0.0232 2969 HD22 33.3630 47.3850 51.5370 H 180 LEU180 0.0232 2970 HD23 32.4770 45.9050 51.9010 H 180 LEU180 0.0232 2971 N 31.8540 46.8510 46.5520 N.am 181 VAL181 -0.2454 2972 H 31.1310 47.5680 46.6040 H 181 VAL181 0.1312 2973 CA 31.9010 45.9460 45.4110 C.3 181 VAL181 0.0903 2974 HA 32.0470 44.9600 45.8470 H 181 VAL181 0.0560 2975 C 33.0870 46.1600 44.4530 C.2 181 VAL181 0.2216 2976 O 33.4020 45.2600 43.6780 O.2 181 VAL181 -0.2776 2977 CB 30.5460 45.9160 44.6740 C.3 181 VAL181 -0.0227 2978 HB 30.6000 45.1230 43.9260 H 181 VAL181 0.0315 2979 CG1 29.4020 45.5540 45.6320 C.3 181 VAL181 -0.0608 2980 HG11 28.4600 45.4460 45.0960 H 181 VAL181 0.0233 2981 HG12 29.2640 46.3270 46.3880 H 181 VAL181 0.0233 2982 HG13 29.5990 44.6160 46.1500 H 181 VAL181 0.0233 2983 CG2 30.2190 47.2160 43.9310 C.3 181 VAL181 -0.0608 2984 HG21 29.2790 47.1090 43.3930 H 181 VAL181 0.0233 2985 HG22 30.9860 47.4680 43.1980 H 181 VAL181 0.0233 2986 HG23 30.1110 48.0560 44.6180 H 181 VAL181 0.0233 2987 N 33.7560 47.3290 44.4840 N.am 182 PRO182 -0.2316 2988 CA 35.0110 47.2230 43.7330 C.3 182 PRO182 0.0907 2989 HA 34.8900 46.6710 42.8100 H 182 PRO182 0.0559 2990 C 36.1030 46.5830 44.5770 C.2 182 PRO182 0.2189 2991 O 36.8720 45.7530 44.0920 O.2 182 PRO182 -0.2778 2992 CB 35.3380 48.7000 43.4290 C.3 182 PRO182 -0.0276 2993 HB1 35.5430 48.8490 42.3690 H 182 PRO182 0.0285 2994 HB2 36.2270 49.0460 43.9560 H 182 PRO182 0.0285 2995 CG 34.1150 49.5200 43.8640 C.3 182 PRO182 -0.0379 2996 HG1 33.5020 49.7190 42.9880 H 182 PRO182 0.0278 2997 HG2 34.3790 50.4840 44.2980 H 182 PRO182 0.0278 2998 CD 33.3150 48.6460 44.8290 C.3 182 PRO182 0.0071 2999 HD1 33.5850 48.7480 45.8320 H 182 PRO182 0.0431 3000 HD2 32.2390 48.7500 44.7070 H 182 PRO182 0.0431 3001 N 36.1410 46.9680 45.8470 N.am 183 TRP183 -0.2453 3002 H 35.4220 47.6090 46.1830 H 183 TRP183 0.1312 3003 CA 37.1640 46.5170 46.7830 C.3 183 TRP183 0.0918 3004 HA 38.1240 46.7260 46.3210 H 183 TRP183 0.0560 3005 C 37.0970 45.0110 47.0400 C.2 183 TRP183 0.2190 3006 O 38.0940 44.3930 47.4180 O.2 183 TRP183 -0.2778 3007 CB 37.0160 47.3260 48.0910 C.3 183 TRP183 -0.0021 3008 HB1 35.9620 47.4620 48.3330 H 183 TRP183 0.0334 3009 HB2 37.4520 48.3150 47.9690 H 183 TRP183 0.0334 3010 CG 37.7060 46.6800 49.2760 C.ar 183 TRP183 -0.0260 3011 CD1 39.0790 46.6700 49.5310 C.ar 183 TRP183 -0.0136 3012 HD1 39.8290 47.1140 48.8940 H 183 TRP183 0.0748 3013 CD2 37.0850 45.9350 50.3430 C.ar 183 TRP183 -0.0028 3014 NE1 39.3130 46.0140 50.6940 N.ar 183 TRP183 -0.2641 3015 HE1 40.1960 45.8670 51.0910 H 183 TRP183 0.1331 3016 CE2 38.1190 45.5330 51.2180 C.ar 183 TRP183 0.0269 3017 CE3 35.7870 45.5860 50.6050 C.ar 183 TRP183 -0.0528 3018 HE3 35.0040 45.8820 49.9230 H 183 TRP183 0.0624 3019 CZ2 37.8220 44.7970 52.3330 C.ar 183 TRP183 -0.0430 3020 HZ2 38.6150 44.4890 52.9980 H 183 TRP183 0.0633 3021 CZ3 35.4820 44.8310 51.7370 C.ar 183 TRP183 -0.0611 3022 HZ3 34.4600 44.5450 51.9370 H 183 TRP183 0.0618 3023 CH2 36.5010 44.4370 52.6040 C.ar 183 TRP183 -0.0602 3024 HH2 36.2690 43.8500 53.4810 H 183 TRP183 0.0618 3025 N 35.9250 44.4220 46.8130 N.am 184 TYR184 -0.2453 3026 H 35.1640 44.9670 46.4080 H 184 TYR184 0.1312 3027 CA 35.7030 43.0140 47.1300 C.3 184 TYR184 0.0917 3028 HA 36.5430 42.6460 47.7220 H 184 TYR184 0.0560 3029 C 35.5770 42.1020 45.9050 C.2 184 TYR184 0.2190 3030 O 35.9700 40.9390 45.9620 O.2 184 TYR184 -0.2778 3031 CB 34.4260 42.9530 47.9840 C.3 184 TYR184 -0.0036 3032 HB1 33.5480 43.2060 47.3890 H 184 TYR184 0.0333 3033 HB2 34.4790 43.7110 48.7660 H 184 TYR184 0.0333 3034 CG 34.2310 41.6170 48.6490 C.ar 184 TYR184 -0.0453 3035 CD1 33.4000 40.6540 48.0840 C.ar 184 TYR184 -0.0561 3036 HD1 32.8960 40.8550 47.1510 H 184 TYR184 0.0621 3037 CD2 34.8880 41.3270 49.8420 C.ar 184 TYR184 -0.0561 3038 HD2 35.5440 42.0600 50.2880 H 184 TYR184 0.0621 3039 CE1 33.2240 39.4240 48.7030 C.ar 184 TYR184 -0.0317 3040 HE1 32.5810 38.6780 48.2590 H 184 TYR184 0.0643 3041 CE2 34.7130 40.0960 50.4610 C.ar 184 TYR184 -0.0317 3042 HE2 35.2280 39.8780 51.3850 H 184 TYR184 0.0643 3043 CZ 33.8780 39.1450 49.8930 C.ar 184 TYR184 0.0726 3044 OH 33.6990 37.9220 50.5060 O.3 184 TYR184 -0.3598 3045 HH 34.2630 37.8610 51.2650 H 184 TYR184 0.2173 3046 N 35.0350 42.6120 44.8030 N.am 185 PHE185 -0.2453 3047 H 34.7970 43.6030 44.7670 H 185 PHE185 0.1312 3048 CA 34.7770 41.7590 43.6400 C.3 185 PHE185 0.0917 3049 HA 34.6130 40.7410 44.0000 H 185 PHE185 0.0560 3050 C 35.9600 41.6750 42.6650 C.2 185 PHE185 0.2190 3051 O 36.4040 40.5770 42.3320 O.2 185 PHE185 -0.2778 3052 CB 33.5120 42.1740 42.8610 C.3 185 PHE185 -0.0036 3053 HB1 33.5120 41.6900 41.8830 H 185 PHE185 0.0333 3054 HB2 33.5160 43.2370 42.6440 H 185 PHE185 0.0333 3055 CG 32.2270 41.7880 43.5520 C.ar 185 PHE185 -0.0454 3056 CD1 31.8920 42.3130 44.7960 C.ar 185 PHE185 -0.0585 3057 HD1 32.5650 42.9950 45.2860 H 185 PHE185 0.0620 3058 CD2 31.3440 40.8960 42.9480 C.ar 185 PHE185 -0.0585 3059 HD2 31.5780 40.4710 41.9820 H 185 PHE185 0.0620 3060 CE1 30.7090 41.9560 45.4270 C.ar 185 PHE185 -0.0615 3061 HE1 30.4710 42.3660 46.3980 H 185 PHE185 0.0618 3062 CE2 30.1560 40.5380 43.5730 C.ar 185 PHE185 -0.0615 3063 HE2 29.4820 39.8440 43.0930 H 185 PHE185 0.0618 3064 CZ 29.8370 41.0690 44.8140 C.ar 185 PHE185 -0.0617 3065 HZ 28.9160 40.7880 45.3040 H 185 PHE185 0.0618 3066 N 36.4620 42.8150 42.1920 N.am 186 TRP186 -0.2453 3067 H 36.0180 43.7030 42.4240 H 186 TRP186 0.1312 3068 CA 37.6520 42.7920 41.3390 C.3 186 TRP186 0.0918 3069 HA 37.9040 41.7610 41.0880 H 186 TRP186 0.0560 3070 C 38.8910 43.3210 42.0610 C.2 186 TRP186 0.2188 3071 O 39.6870 44.0600 41.4840 O.2 186 TRP186 -0.2778 3072 CB 37.3800 43.5050 40.0040 C.3 186 TRP186 -0.0021 3073 HB1 36.7290 42.8830 39.3900 H 186 TRP186 0.0334 3074 HB2 38.2980 43.6360 39.4290 H 186 TRP186 0.0334 3075 CG 36.7150 44.8470 40.2080 C.ar 186 TRP186 -0.0260 3076 CD1 37.3530 46.0520 40.5190 C.ar 186 TRP186 -0.0136 3077 HD1 38.4130 46.1770 40.6880 H 186 TRP186 0.0748 3078 CD2 35.3080 45.1400 40.0960 C.ar 186 TRP186 -0.0028 3079 NE1 36.4260 47.0390 40.5690 N.ar 186 TRP186 -0.2641 3080 HE1 36.6080 47.9730 40.7990 H 186 TRP186 0.1331 3081 CE2 35.1630 46.5280 40.3090 C.ar 186 TRP186 0.0269 3082 CE3 34.2060 44.3650 39.8510 C.ar 186 TRP186 -0.0528 3083 HE3 34.3190 43.3020 39.6950 H 186 TRP186 0.0624 3084 CZ2 33.9200 47.0950 40.3010 C.ar 186 TRP186 -0.0430 3085 HZ2 33.8190 48.1470 40.5190 H 186 TRP186 0.0633 3086 CZ3 32.9350 44.9400 39.8390 C.ar 186 TRP186 -0.0611 3087 HZ3 32.0630 44.3260 39.6670 H 186 TRP186 0.0618 3088 CH2 32.7910 46.3080 40.0710 C.ar 186 TRP186 -0.0602 3089 HH2 31.8090 46.7560 40.0870 H 186 TRP186 0.0618 3090 N 39.0330 42.9330 43.3280 N.am 187 GLY187 -0.2485 3091 H 38.2690 42.4110 43.7570 H 187 GLY187 0.1309 3092 CA 40.2120 43.2090 44.1360 C.3 187 GLY187 0.0765 3093 HA1 40.9840 42.5080 43.8200 H 187 GLY187 0.0521 3094 HA2 39.9410 42.9700 45.1640 H 187 GLY187 0.0521 3095 C 40.7830 44.6160 44.1090 C.2 187 GLY187 0.2155 3096 O 42.0010 44.7940 44.1270 O.2 187 GLY187 -0.2781 3097 N 39.9150 45.6200 44.0660 N.am 188 GLU188 -0.2459 3098 H 38.9150 45.4220 44.0280 H 188 GLU188 0.1312 3099 CA 40.3780 47.0010 44.0720 C.3 188 GLU188 0.0883 3100 HA 41.2090 47.0610 43.3680 H 188 GLU188 0.0557 3101 C 40.9010 47.3390 45.4650 C.2 188 GLU188 0.2188 3102 O 40.4400 46.7760 46.4570 O.2 188 GLU188 -0.2778 3103 CB 39.2510 47.9520 43.6230 C.3 188 GLU188 -0.0193 3104 HB1 38.4310 47.9060 44.3360 H 188 GLU188 0.0290 3105 HB2 38.8480 47.5960 42.6750 H 188 GLU188 0.0290 3106 CG 39.6670 49.4290 43.4610 C.3 188 GLU188 0.0356 3107 HG1 39.9260 49.8660 44.4220 H 188 GLU188 0.0374 3108 HG2 38.8320 50.0120 43.0750 H 188 GLU188 0.0374 3109 CD 40.8610 49.5990 42.5090 C.2 188 GLU188 0.1760 3110 OE1 40.6840 49.6320 41.2980 O.co2 188 GLU188 -0.6478 3111 OE2 41.9950 49.6970 42.9630 O.co2 188 GLU188 -0.6478 3112 N 41.8890 48.2240 45.5390 N.am 189 THR189 -0.2434 3113 H 42.3300 48.5610 44.6830 H 189 THR189 0.1313 3114 CA 42.3490 48.7180 46.8270 C.3 189 THR189 0.1135 3115 HA 42.5890 47.8450 47.4360 H 189 THR189 0.0583 3116 C 41.2170 49.4970 47.4690 C.2 189 THR189 0.2212 3117 O 40.4150 50.1190 46.7750 O.2 189 THR189 -0.2777 3118 CB 43.5960 49.6170 46.6520 C.3 189 THR189 0.0763 3119 HB 44.0370 49.7510 47.6430 H 189 THR189 0.0611 3120 OG1 43.2140 50.9040 46.1850 O.3 189 THR189 -0.3900 3121 HG1 43.9530 51.3620 45.7970 H 189 THR189 0.2098 3122 CG2 44.6450 48.9510 45.7400 C.3 189 THR189 -0.0370 3123 HG21 45.5990 49.4800 45.7680 H 189 THR189 0.0255 3124 HG22 44.3130 48.9220 44.7010 H 189 THR189 0.0255 3125 HG23 44.8380 47.9260 46.0560 H 189 THR189 0.0255 3126 N 41.1550 49.4660 48.7930 N.am 190 PHE190 -0.2453 3127 H 41.8460 48.9270 49.3150 H 190 PHE190 0.1312 3128 CA 40.1190 50.1870 49.5120 C.3 190 PHE190 0.0917 3129 HA 39.1670 49.8480 49.0990 H 190 PHE190 0.0560 3130 C 40.2310 51.6920 49.2620 C.2 190 PHE190 0.2190 3131 O 39.2240 52.3970 49.2260 O.2 190 PHE190 -0.2778 3132 CB 40.1850 49.8540 51.0100 C.3 190 PHE190 -0.0036 3133 HB1 41.1100 50.2310 51.4480 H 190 PHE190 0.0333 3134 HB2 40.2040 48.7720 51.1450 H 190 PHE190 0.0333 3135 CG 38.9970 50.3970 51.7600 C.ar 190 PHE190 -0.0454 3136 CD1 37.7390 49.8220 51.5960 C.ar 190 PHE190 -0.0585 3137 HD1 37.6140 48.9780 50.9350 H 190 PHE190 0.0620 3138 CD2 39.1310 51.4910 52.6110 C.ar 190 PHE190 -0.0585 3139 HD2 40.0960 51.9580 52.7430 H 190 PHE190 0.0620 3140 CE1 36.6350 50.3300 52.2670 C.ar 190 PHE190 -0.0615 3141 HE1 35.6640 49.8780 52.1270 H 190 PHE190 0.0618 3142 CE2 38.0300 51.9950 53.2910 C.ar 190 PHE190 -0.0615 3143 HE2 38.1440 52.8460 53.9470 H 190 PHE190 0.0618 3144 CZ 36.7800 51.4180 53.1160 C.ar 190 PHE190 -0.0617 3145 HZ 35.9210 51.8160 53.6360 H 190 PHE190 0.0618 3146 N 41.4550 52.1750 49.0690 N.am 191 GLN191 -0.2456 3147 H 42.2470 51.5330 49.0480 H 191 GLN191 0.1312 3148 CA 41.6880 53.6050 48.8870 C.3 191 GLN191 0.0882 3149 HA 41.2020 54.1290 49.7120 H 191 GLN191 0.0557 3150 C 41.1160 54.1240 47.5740 C.2 191 GLN191 0.2187 3151 O 40.4650 55.1670 47.5400 O.2 191 GLN191 -0.2778 3152 CB 43.2080 53.8350 48.9140 C.3 191 GLN191 -0.0210 3153 HB1 43.6760 53.2180 48.1440 H 191 GLN191 0.0289 3154 HB2 43.5980 53.4700 49.8650 H 191 GLN191 0.0289 3155 CG 43.6290 55.3040 48.7190 C.3 191 GLN191 0.0225 3156 HG1 43.2370 55.9250 49.5230 H 191 GLN191 0.0356 3157 HG2 43.2490 55.7030 47.7790 H 191 GLN191 0.0356 3158 CD 45.1570 55.4360 48.7000 C.2 191 GLN191 0.1981 3159 OE1 45.8880 54.5180 49.0430 O.2 191 GLN191 -0.2798 3160 NE2 45.5880 56.6310 48.2750 N.am 191 GLN191 -0.2724 3161 HE21 46.5700 56.8110 48.2340 H 191 GLN191 0.1266 3162 HE22 44.9650 57.3610 47.9980 H 191 GLN191 0.1266 3163 N 41.3790 53.4020 46.4910 N.am 192 ASN192 -0.2452 3164 H 41.9830 52.5840 46.5680 H 192 ASN192 0.1312 3165 CA 40.8200 53.7580 45.1970 C.3 192 ASN192 0.0957 3166 HA 40.9580 54.8290 45.0410 H 192 ASN192 0.0562 3167 C 39.3230 53.4740 45.1740 C.2 192 ASN192 0.2192 3168 O 38.5540 54.1820 44.5260 O.2 192 ASN192 -0.2778 3169 CB 41.5220 52.9270 44.0990 C.3 192 ASN192 0.0446 3170 HB1 41.0900 53.1350 43.1210 H 192 ASN192 0.0375 3171 HB2 41.3750 51.8640 44.2880 H 192 ASN192 0.0375 3172 CG 43.0430 53.1710 44.0050 C.2 192 ASN192 0.2000 3173 OD1 43.8200 52.2800 43.6860 O.2 192 ASN192 -0.2797 3174 ND2 43.4400 54.4170 44.2990 N.am 192 ASN192 -0.2723 3175 HD21 44.4150 54.6320 44.2620 H 192 ASN192 0.1266 3176 HD22 42.7940 55.1370 44.5470 H 192 ASN192 0.1266 3177 N 38.9160 52.4420 45.9050 N.am 193 SER193 -0.2436 3178 H 39.6080 51.8950 46.4180 H 193 SER193 0.1312 3179 CA 37.5120 52.0690 45.9950 C.3 193 SER193 0.1109 3180 HA 37.1560 52.0290 44.9640 H 193 SER193 0.0580 3181 C 36.6860 53.1420 46.7050 C.2 193 SER193 0.2209 3182 O 35.4610 53.1680 46.5870 O.2 193 SER193 -0.2777 3183 CB 37.3320 50.6860 46.6010 C.3 193 SER193 0.0681 3184 HB1 37.3660 50.7280 47.6970 H 193 SER193 0.0577 3185 HB2 38.1150 50.0130 46.2440 H 193 SER193 0.0577 3186 OG 36.0880 50.2230 46.1150 O.3 193 SER193 -0.3930 3187 HG 35.8170 49.4260 46.5560 H 193 SER193 0.2095 3188 N 37.3590 54.0280 47.4350 N.am 194 VAL194 -0.2453 3189 H 38.3760 53.9630 47.4840 H 194 VAL194 0.1312 3190 CA 36.6770 55.0910 48.1680 C.3 194 VAL194 0.0901 3191 HA 35.6230 54.8310 48.2760 H 194 VAL194 0.0560 3192 C 36.7340 56.4300 47.4320 C.2 194 VAL194 0.2189 3193 O 35.7000 57.0450 47.1770 O.2 194 VAL194 -0.2778 3194 CB 37.3090 55.2120 49.5770 C.3 194 VAL194 -0.0227 3195 HB 38.3940 55.1790 49.4620 H 194 VAL194 0.0315 3196 CG1 36.9630 56.5250 50.3070 C.3 194 VAL194 -0.0608 3197 HG11 37.3620 56.5240 51.3220 H 194 VAL194 0.0233 3198 HG12 35.8830 56.6630 50.3740 H 194 VAL194 0.0233 3199 HG13 37.3830 57.3970 49.8060 H 194 VAL194 0.0233 3200 CG2 36.8940 54.0320 50.4650 C.3 194 VAL194 -0.0608 3201 HG21 37.4540 54.0370 51.3980 H 194 VAL194 0.0233 3202 HG22 37.0600 53.0710 49.9820 H 194 VAL194 0.0233 3203 HG23 35.8360 54.0960 50.7140 H 194 VAL194 0.0233 3204 N 37.9390 56.8730 47.0880 N.am 195 PHE195 -0.2453 3205 H 38.7500 56.2710 47.2300 H 195 PHE195 0.1312 3206 CA 38.1290 58.2020 46.5120 C.3 195 PHE195 0.0917 3207 HA 37.5760 58.8940 47.1260 H 195 PHE195 0.0560 3208 C 37.7460 58.2960 45.0380 C.2 195 PHE195 0.2190 3209 O 37.6920 59.3890 44.4740 O.2 195 PHE195 -0.2778 3210 CB 39.6100 58.5990 46.6570 C.3 195 PHE195 -0.0036 3211 HB1 39.8220 59.5110 46.0960 H 195 PHE195 0.0333 3212 HB2 40.2510 57.8210 46.2400 H 195 PHE195 0.0333 3213 CG 39.9860 58.8690 48.0920 C.ar 195 PHE195 -0.0454 3214 CD1 39.3990 59.9250 48.7860 C.ar 195 PHE195 -0.0585 3215 HD1 38.6670 60.5540 48.2990 H 195 PHE195 0.0620 3216 CD2 40.9430 58.0930 48.7380 C.ar 195 PHE195 -0.0585 3217 HD2 41.4360 57.2930 48.2080 H 195 PHE195 0.0620 3218 CE1 39.7370 60.1810 50.1070 C.ar 195 PHE195 -0.0615 3219 HE1 39.2670 60.9980 50.6350 H 195 PHE195 0.0618 3220 CE2 41.2850 58.3460 50.0600 C.ar 195 PHE195 -0.0615 3221 HE2 42.0280 57.7370 50.5530 H 195 PHE195 0.0618 3222 CZ 40.6800 59.3890 50.7470 C.ar 195 PHE195 -0.0617 3223 HZ 40.9460 59.5880 51.7740 H 195 PHE195 0.0618 3224 N 37.4720 57.1570 44.4160 N.am 196 VAL196 -0.2454 3225 H 37.5210 56.2760 44.9280 H 196 VAL196 0.1312 3226 CA 37.1020 57.1540 43.0110 C.3 196 VAL196 0.0901 3227 HA 37.0660 58.1780 42.6440 H 196 VAL196 0.0560 3228 C 35.7050 56.5740 42.8090 C.2 196 VAL196 0.2189 3229 O 34.8270 57.2350 42.2530 O.2 196 VAL196 -0.2778 3230 CB 38.1700 56.4030 42.1790 C.3 196 VAL196 -0.0227 3231 HB 38.1050 55.3360 42.3920 H 196 VAL196 0.0315 3232 CG1 37.9310 56.5930 40.6730 C.3 196 VAL196 -0.0608 3233 HG11 38.6700 56.0540 40.0830 H 196 VAL196 0.0233 3234 HG12 38.0020 57.6450 40.4000 H 196 VAL196 0.0233 3235 HG13 36.9470 56.2330 40.3720 H 196 VAL196 0.0233 3236 CG2 39.5970 56.8540 42.5400 C.3 196 VAL196 -0.0608 3237 HG21 40.3360 56.3920 41.8850 H 196 VAL196 0.0233 3238 HG22 39.8630 56.5820 43.5620 H 196 VAL196 0.0233 3239 HG23 39.7010 57.9340 42.4450 H 196 VAL196 0.0233 3240 N 35.4990 55.3470 43.2790 N.am 197 ALA197 -0.2459 3241 H 36.2480 54.8800 43.7900 H 197 ALA197 0.1312 3242 CA 34.2310 54.6510 43.0840 C.3 197 ALA197 0.0850 3243 HA 34.0480 54.6650 42.0080 H 197 ALA197 0.0554 3244 C 33.0510 55.3520 43.7570 C.2 197 ALA197 0.2185 3245 O 31.9050 55.1350 43.3680 O.2 197 ALA197 -0.2778 3246 CB 34.3260 53.1900 43.5340 C.3 197 ALA197 -0.0411 3247 HB1 33.4690 52.6170 43.1830 H 197 ALA197 0.0249 3248 HB2 34.3330 53.1030 44.6150 H 197 ALA197 0.0249 3249 HB3 35.2260 52.7130 43.1470 H 197 ALA197 0.0249 3250 N 33.3270 56.1790 44.7650 N.am 198 THR198 -0.2434 3251 H 34.2970 56.3040 45.0560 H 198 THR198 0.1313 3252 CA 32.2700 56.9120 45.4640 C.3 198 THR198 0.1135 3253 HA 31.3420 56.8030 44.9030 H 198 THR198 0.0583 3254 C 32.5210 58.4170 45.4930 C.2 198 THR198 0.2212 3255 O 31.6870 59.1900 45.0290 O.2 198 THR198 -0.2777 3256 CB 32.0330 56.3790 46.8960 C.3 198 THR198 0.0763 3257 HB 31.4620 57.1230 47.4620 H 198 THR198 0.0611 3258 OG1 33.2730 56.1830 47.5460 O.3 198 THR198 -0.3900 3259 HG1 33.1580 55.7000 48.3590 H 198 THR198 0.2098 3260 CG2 31.1970 55.0970 46.8680 C.3 198 THR198 -0.0370 3261 HG21 30.9580 54.7340 47.8640 H 198 THR198 0.0255 3262 HG22 31.7110 54.3000 46.3310 H 198 THR198 0.0255 3263 HG23 30.2440 55.3030 46.3850 H 198 THR198 0.0255 3264 N 33.6620 58.8260 46.0430 N.am 199 PHE199 -0.2453 3265 H 34.3210 58.1270 46.3860 H 199 PHE199 0.1312 3266 CA 34.0050 60.2450 46.1730 C.3 199 PHE199 0.0917 3267 HA 33.2350 60.6930 46.8040 H 199 PHE199 0.0560 3268 C 33.9740 60.9950 44.8470 C.2 199 PHE199 0.2190 3269 O 33.3890 62.0750 44.7420 O.2 199 PHE199 -0.2778 3270 CB 35.3720 60.4150 46.8160 C.3 199 PHE199 -0.0036 3271 HB1 35.9720 61.2050 46.3600 H 199 PHE199 0.0333 3272 HB2 35.8680 59.4880 46.6010 H 199 PHE199 0.0333 3273 CG 35.3060 60.6550 48.3000 C.ar 199 PHE199 -0.0454 3274 CD1 35.0440 59.6140 49.1840 C.ar 199 PHE199 -0.0585 3275 HD1 34.8650 58.6170 48.8130 H 199 PHE199 0.0620 3276 CD2 35.5180 61.9340 48.8060 C.ar 199 PHE199 -0.0585 3277 HD2 35.7150 62.7570 48.1340 H 199 PHE199 0.0620 3278 CE1 35.0090 59.8440 50.5530 C.ar 199 PHE199 -0.0615 3279 HE1 34.8110 59.0260 51.2300 H 199 PHE199 0.0618 3280 CE2 35.4840 62.1670 50.1740 C.ar 199 PHE199 -0.0615 3281 HE2 35.6560 63.1630 50.5560 H 199 PHE199 0.0618 3282 CZ 35.2310 61.1210 51.0490 C.ar 199 PHE199 -0.0617 3283 HZ 35.2050 61.3000 52.1140 H 199 PHE199 0.0618 3284 N 34.6160 60.4170 43.8380 N.am 200 LEU200 -0.2456 3285 H 35.0160 59.4870 43.9670 H 200 LEU200 0.1312 3286 CA 34.7610 61.0830 42.5530 C.3 200 LEU200 0.0880 3287 HA 35.0100 62.1200 42.7860 H 200 LEU200 0.0557 3288 C 33.4550 61.0990 41.7680 C.2 200 LEU200 0.2187 3289 O 33.0360 62.1480 41.2820 O.2 200 LEU200 -0.2778 3290 CB 35.9080 60.4840 41.7310 C.3 200 LEU200 -0.0266 3291 HB1 35.6890 59.4400 41.5140 H 200 LEU200 0.0287 3292 HB2 36.8150 60.4940 42.3350 H 200 LEU200 0.0287 3293 CG 36.1800 61.2190 40.4040 C.3 200 LEU200 -0.0449 3294 HG 35.3020 61.1250 39.7640 H 200 LEU200 0.0296 3295 CD1 36.4500 62.7150 40.6050 C.3 200 LEU200 -0.0626 3296 HD11 36.7370 63.1920 39.6680 H 200 LEU200 0.0232 3297 HD12 37.2540 62.8680 41.3210 H 200 LEU200 0.0232 3298 HD13 35.5680 63.2400 40.9710 H 200 LEU200 0.0232 3299 CD2 37.3480 60.5550 39.6710 C.3 200 LEU200 -0.0626 3300 HD21 37.5440 61.0370 38.7130 H 200 LEU200 0.0232 3301 HD22 37.1160 59.5090 39.4790 H 200 LEU200 0.0232 3302 HD23 38.2640 60.5950 40.2600 H 200 LEU200 0.0232 3303 N 32.8090 59.9450 41.6420 N.am 201 ARG201 -0.2457 3304 H 33.1470 59.1140 42.1280 H 201 ARG201 0.1312 3305 CA 31.6190 59.8680 40.8090 C.3 201 ARG201 0.0879 3306 HA 31.8770 60.3260 39.8520 H 201 ARG201 0.0557 3307 C 30.4620 60.6500 41.4190 C.2 201 ARG201 0.2187 3308 O 29.6840 61.2590 40.6910 O.2 201 ARG201 -0.2778 3309 CB 31.2340 58.3890 40.5680 C.3 201 ARG201 -0.0258 3310 HB1 32.1410 57.8550 40.2800 H 201 ARG201 0.0286 3311 HB2 30.5730 58.3150 39.7030 H 201 ARG201 0.0286 3312 CG 30.5900 57.6580 41.7670 C.3 201 ARG201 -0.0154 3313 HG1 31.0280 58.0190 42.6980 H 201 ARG201 0.0299 3314 HG2 30.8520 56.6020 41.7130 H 201 ARG201 0.0299 3315 CD 29.0500 57.7530 41.8040 C.3 201 ARG201 0.1045 3316 HD1 28.6030 56.9910 41.1600 H 201 ARG201 0.0711 3317 HD2 28.6970 58.7280 41.4620 H 201 ARG201 0.0711 3318 NE 28.5600 57.5620 43.1720 N.pl3 201 ARG201 -0.4450 3319 HE 29.2160 57.3520 43.8970 H 201 ARG201 0.3153 3320 CZ 27.2790 57.6570 43.5270 C.cat 201 ARG201 0.5062 3321 NH1 26.3340 57.8550 42.6470 N.pl3 201 ARG201 -0.4573 3322 HH11 25.3810 57.9210 42.9470 H 201 ARG201 0.3114 3323 HH12 26.5410 57.9310 41.6760 H 201 ARG201 0.3114 3324 NH2 26.9400 57.5520 44.7810 N.pl3 201 ARG201 -0.4573 3325 HH21 25.9760 57.6480 45.0300 H 201 ARG201 0.3114 3326 HH22 27.6170 57.3850 45.4980 H 201 ARG201 0.3114 3327 N 30.3460 60.6460 42.7460 N.am 202 TYR202 -0.2453 3328 H 31.0230 60.1360 43.3140 H 202 TYR202 0.1312 3329 CA 29.2530 61.3690 43.3920 C.3 202 TYR202 0.0917 3330 HA 28.3290 61.0650 42.8990 H 202 TYR202 0.0560 3331 C 29.4110 62.8750 43.2130 C.2 202 TYR202 0.2190 3332 O 28.4300 63.5860 43.0010 O.2 202 TYR202 -0.2778 3333 CB 29.2210 60.9860 44.8840 C.3 202 TYR202 -0.0036 3334 HB1 30.2090 61.1610 45.3110 H 202 TYR202 0.0333 3335 HB2 29.0230 59.9200 44.9940 H 202 TYR202 0.0333 3336 CG 28.2080 61.7530 45.7020 C.ar 202 TYR202 -0.0453 3337 CD1 26.9210 62.0040 45.2260 C.ar 202 TYR202 -0.0561 3338 HD1 26.6030 61.6300 44.2650 H 202 TYR202 0.0621 3339 CD2 28.5710 62.2560 46.9490 C.ar 202 TYR202 -0.0561 3340 HD2 29.5590 62.0690 47.3450 H 202 TYR202 0.0621 3341 CE1 26.0450 62.8010 45.9510 C.ar 202 TYR202 -0.0317 3342 HE1 25.0650 63.0370 45.5650 H 202 TYR202 0.0643 3343 CE2 27.6900 63.0390 47.6810 C.ar 202 TYR202 -0.0317 3344 HE2 27.9900 63.4490 48.6340 H 202 TYR202 0.0643 3345 CZ 26.4340 63.3280 47.1710 C.ar 202 TYR202 0.0726 3346 OH 25.5800 64.1580 47.8640 O.3 202 TYR202 -0.3598 3347 HH 25.9890 64.4570 48.6640 H 202 TYR202 0.2173 3348 N 30.6460 63.3590 43.2900 N.am 203 ALA203 -0.2459 3349 H 31.4190 62.7270 43.4960 H 203 ALA203 0.1312 3350 CA 30.9170 64.7770 43.0850 C.3 203 ALA203 0.0850 3351 HA 30.2330 65.3430 43.7180 H 203 ALA203 0.0554 3352 C 30.6650 65.1540 41.6290 C.2 203 ALA203 0.2184 3353 O 30.2060 66.2600 41.3280 O.2 203 ALA203 -0.2778 3354 CB 32.3710 65.0600 43.4840 C.3 203 ALA203 -0.0411 3355 HB1 32.6200 66.1140 43.3550 H 203 ALA203 0.0249 3356 HB2 33.0700 64.4710 42.8890 H 203 ALA203 0.0249 3357 HB3 32.5400 64.8070 44.5310 H 203 ALA203 0.0249 3358 N 30.9710 64.2210 40.7320 N.am 204 VAL204 -0.2454 3359 H 31.3880 63.3460 41.0510 H 204 VAL204 0.1312 3360 CA 30.7290 64.4100 39.3080 C.3 204 VAL204 0.0901 3361 HA 31.1930 65.3590 39.0330 H 204 VAL204 0.0560 3362 C 29.2370 64.5620 39.0400 C.2 204 VAL204 0.2189 3363 O 28.8200 65.5010 38.3640 O.2 204 VAL204 -0.2778 3364 CB 31.3880 63.2690 38.5000 C.3 204 VAL204 -0.0227 3365 HB 31.1700 62.3310 39.0060 H 204 VAL204 0.0315 3366 CG1 30.8540 63.1450 37.0620 C.3 204 VAL204 -0.0608 3367 HG11 31.3830 62.3640 36.5140 H 204 VAL204 0.0233 3368 HG12 30.9780 64.0780 36.5130 H 204 VAL204 0.0233 3369 HG13 29.7950 62.8840 37.0430 H 204 VAL204 0.0233 3370 CG2 32.9150 63.4440 38.4620 C.3 204 VAL204 -0.0608 3371 HG21 33.4020 62.5600 38.0510 H 204 VAL204 0.0233 3372 HG22 33.3340 63.6250 39.4500 H 204 VAL204 0.0233 3373 HG23 33.1930 64.2950 37.8400 H 204 VAL204 0.0233 3374 N 28.4360 63.6480 39.5830 N.am 205 VAL205 -0.2454 3375 H 28.8390 62.8900 40.1340 H 205 VAL205 0.1312 3376 CA 26.9940 63.7140 39.4030 C.3 205 VAL205 0.0901 3377 HA 26.7900 63.6940 38.3310 H 205 VAL205 0.0560 3378 C 26.4460 65.0180 39.9710 C.2 205 VAL205 0.2189 3379 O 25.5730 65.6310 39.3700 O.2 205 VAL205 -0.2778 3380 CB 26.3320 62.5030 40.1180 C.3 205 VAL205 -0.0227 3381 HB 26.7430 62.4550 41.1280 H 205 VAL205 0.0315 3382 CG1 24.8000 62.6210 40.2570 C.3 205 VAL205 -0.0608 3383 HG11 24.3800 61.7350 40.7350 H 205 VAL205 0.0233 3384 HG12 24.3210 62.7260 39.2840 H 205 VAL205 0.0233 3385 HG13 24.5060 63.4760 40.8680 H 205 VAL205 0.0233 3386 CG2 26.6610 61.1760 39.4210 C.3 205 VAL205 -0.0608 3387 HG21 26.2870 60.3280 39.9950 H 205 VAL205 0.0233 3388 HG22 27.7320 61.0380 39.2930 H 205 VAL205 0.0233 3389 HG23 26.1950 61.1330 38.4360 H 205 VAL205 0.0233 3390 N 26.9770 65.4550 41.1090 N.am 206 LEU206 -0.2456 3391 H 27.7230 64.9190 41.5520 H 206 LEU206 0.1312 3392 CA 26.5110 66.6890 41.7350 C.3 206 LEU206 0.0880 3393 HA 25.4410 66.5710 41.9030 H 206 LEU206 0.0557 3394 C 26.6650 67.9040 40.8270 C.2 206 LEU206 0.2187 3395 O 25.6790 68.5480 40.4770 O.2 206 LEU206 -0.2778 3396 CB 27.2470 66.9390 43.0640 C.3 206 LEU206 -0.0266 3397 HB1 27.1400 67.9850 43.3480 H 206 LEU206 0.0287 3398 HB2 28.3150 66.7850 42.9160 H 206 LEU206 0.0287 3399 CG 26.7630 66.0920 44.2530 C.3 206 LEU206 -0.0449 3400 HG 26.8540 65.0370 44.0060 H 206 LEU206 0.0296 3401 CD1 27.6530 66.3780 45.4710 C.3 206 LEU206 -0.0626 3402 HD11 27.3580 65.7820 46.3320 H 206 LEU206 0.0232 3403 HD12 27.5940 67.4260 45.7640 H 206 LEU206 0.0232 3404 HD13 28.6960 66.1530 45.2520 H 206 LEU206 0.0232 3405 CD2 25.2920 66.3630 44.5970 C.3 206 LEU206 -0.0626 3406 HD21 25.0050 65.8710 45.5270 H 206 LEU206 0.0232 3407 HD22 24.6180 66.0000 43.8220 H 206 LEU206 0.0232 3408 HD23 25.1220 67.4310 44.7150 H 206 LEU206 0.0232 3409 N 27.8990 68.2130 40.4440 N.am 207 ASN207 -0.2452 3410 H 28.6780 67.6280 40.7460 H 207 ASN207 0.1312 3411 CA 28.1600 69.3730 39.6000 C.3 207 ASN207 0.0957 3412 HA 27.7640 70.2370 40.1190 H 207 ASN207 0.0562 3413 C 27.5010 69.2910 38.2350 C.2 207 ASN207 0.2191 3414 O 27.0210 70.2980 37.7130 O.2 207 ASN207 -0.2778 3415 CB 29.6820 69.5120 39.4060 C.3 207 ASN207 0.0446 3416 HB1 29.9050 70.2200 38.6060 H 207 ASN207 0.0375 3417 HB2 30.1250 68.5580 39.1190 H 207 ASN207 0.0375 3418 CG 30.3970 70.0380 40.6600 C.2 207 ASN207 0.2000 3419 OD1 30.8400 71.1760 40.7020 O.2 207 ASN207 -0.2797 3420 ND2 30.4970 69.1650 41.6720 N.am 207 ASN207 -0.2723 3421 HD21 30.9560 69.4440 42.5150 H 207 ASN207 0.1266 3422 HD22 30.1220 68.2420 41.6070 H 207 ASN207 0.1266 3423 N 27.4830 68.0880 37.6660 N.am 208 ALA208 -0.2459 3424 H 27.9270 67.3050 38.1460 H 208 ALA208 0.1312 3425 CA 26.8460 67.8590 36.3770 C.3 208 ALA208 0.0850 3426 HA 27.3970 68.4380 35.6370 H 208 ALA208 0.0554 3427 C 25.4000 68.3380 36.3920 C.2 208 ALA208 0.2185 3428 O 24.9150 68.8650 35.3970 O.2 208 ALA208 -0.2778 3429 CB 26.9030 66.3640 36.0390 C.3 208 ALA208 -0.0411 3430 HB1 26.4330 66.1550 35.0760 H 208 ALA208 0.0249 3431 HB2 26.3960 65.7640 36.7960 H 208 ALA208 0.0249 3432 HB3 27.9350 66.0190 35.9800 H 208 ALA208 0.0249 3433 N 24.7160 68.1600 37.5200 N.am 209 THR209 -0.2434 3434 H 25.1480 67.6570 38.2950 H 209 THR209 0.1313 3435 CA 23.3600 68.6730 37.6650 C.3 209 THR209 0.1135 3436 HA 22.8610 68.5890 36.6990 H 209 THR209 0.0583 3437 C 23.3810 70.1290 38.0850 C.2 209 THR209 0.2212 3438 O 22.4320 70.8520 37.8300 O.2 209 THR209 -0.2777 3439 CB 22.5230 67.9210 38.7230 C.3 209 THR209 0.0763 3440 HB 21.4940 68.2830 38.6050 H 209 THR209 0.0611 3441 OG1 22.9520 68.1970 40.0470 O.3 209 THR209 -0.3900 3442 HG1 22.4070 67.7420 40.6820 H 209 THR209 0.2098 3443 CG2 22.5200 66.4190 38.4830 C.3 209 THR209 -0.0370 3444 HG21 21.5980 65.9810 38.8580 H 209 THR209 0.0255 3445 HG22 23.3440 65.9210 38.9820 H 209 THR209 0.0255 3446 HG23 22.6110 66.2140 37.4220 H 209 THR209 0.0255 3447 N 24.4180 70.5390 38.8080 N.am 210 TRP210 -0.2453 3448 H 25.1760 69.8900 39.0190 H 210 TRP210 0.1312 3449 CA 24.4810 71.9110 39.3020 C.3 210 TRP210 0.0918 3450 HA 23.5200 72.1410 39.7640 H 210 TRP210 0.0560 3451 C 24.6560 72.8750 38.1400 C.2 210 TRP210 0.2190 3452 O 24.1850 74.0110 38.1860 O.2 210 TRP210 -0.2778 3453 CB 25.6250 72.1490 40.3050 C.3 210 TRP210 -0.0021 3454 HB1 25.7010 73.2140 40.5220 H 210 TRP210 0.0334 3455 HB2 26.5750 71.8740 39.8580 H 210 TRP210 0.0334 3456 CG 25.4260 71.4470 41.6370 C.ar 210 TRP210 -0.0260 3457 CD1 24.2110 71.0590 42.2150 C.ar 210 TRP210 -0.0136 3458 HD1 23.2380 71.1550 41.7590 H 210 TRP210 0.0748 3459 CD2 26.4430 71.1710 42.6260 C.ar 210 TRP210 -0.0028 3460 NE1 24.4380 70.5730 43.4590 N.ar 210 TRP210 -0.2641 3461 HE1 23.7520 70.2490 44.0790 H 210 TRP210 0.1331 3462 CE2 25.7920 70.6120 43.7490 C.ar 210 TRP210 0.0269 3463 CE3 27.7980 71.3610 42.6550 C.ar 210 TRP210 -0.0528 3464 HE3 28.2940 71.7990 41.8040 H 210 TRP210 0.0624 3465 CZ2 26.5140 70.2460 44.8520 C.ar 210 TRP210 -0.0430 3466 HZ2 26.0080 69.8190 45.7040 H 210 TRP210 0.0633 3467 CZ3 28.5410 70.9800 43.7720 C.ar 210 TRP210 -0.0611 3468 HZ3 29.6120 71.1250 43.7830 H 210 TRP210 0.0618 3469 CH2 27.8980 70.4150 44.8720 C.ar 210 TRP210 -0.0602 3470 HH2 28.4640 70.1190 45.7440 H 210 TRP210 0.0618 3471 N 25.3190 72.4010 37.0910 N.am 211 LEU211 -0.2456 3472 H 25.7210 71.4650 37.1410 H 211 LEU211 0.1312 3473 CA 25.4890 73.1790 35.8710 C.3 211 LEU211 0.0880 3474 HA 25.9180 74.1380 36.1540 H 211 LEU211 0.0557 3475 C 24.1480 73.4600 35.2060 C.2 211 LEU211 0.2187 3476 O 24.0160 74.4310 34.4720 O.2 211 LEU211 -0.2778 3477 CB 26.4360 72.4250 34.9230 C.3 211 LEU211 -0.0266 3478 HB1 26.4270 72.8790 33.9330 H 211 LEU211 0.0287 3479 HB2 26.0550 71.4100 34.7920 H 211 LEU211 0.0287 3480 CG 27.8930 72.3670 35.4250 C.3 211 LEU211 -0.0449 3481 HG 27.8960 72.0820 36.4750 H 211 LEU211 0.0296 3482 CD1 28.6880 71.3040 34.6570 C.3 211 LEU211 -0.0626 3483 HD11 29.7060 71.2230 35.0380 H 211 LEU211 0.0232 3484 HD12 28.7430 71.5450 33.5960 H 211 LEU211 0.0232 3485 HD13 28.2220 70.3240 34.7510 H 211 LEU211 0.0232 3486 CD2 28.5980 73.7260 35.3320 C.3 211 LEU211 -0.0626 3487 HD21 29.6130 73.6630 35.7240 H 211 LEU211 0.0232 3488 HD22 28.0780 74.4920 35.9070 H 211 LEU211 0.0232 3489 HD23 28.6640 74.0580 34.2970 H 211 LEU211 0.0232 3490 N 23.1520 72.6220 35.4740 N.am 212 VAL212 -0.2454 3491 H 23.3230 71.8110 36.0680 H 212 VAL212 0.1312 3492 CA 21.8190 72.8460 34.9310 C.3 212 VAL212 0.0901 3493 HA 21.9660 73.0810 33.8790 H 212 VAL212 0.0560 3494 C 21.1460 74.0640 35.5860 C.2 212 VAL212 0.2189 3495 O 20.2610 74.6810 34.9940 O.2 212 VAL212 -0.2778 3496 CB 20.9400 71.5790 35.0020 C.3 212 VAL212 -0.0227 3497 HB 20.6570 71.4070 36.0420 H 212 VAL212 0.0315 3498 CG1 19.6630 71.7600 34.1590 C.3 212 VAL212 -0.0608 3499 HG11 19.1260 70.8200 34.0390 H 212 VAL212 0.0233 3500 HG12 19.9070 72.1070 33.1530 H 212 VAL212 0.0233 3501 HG13 18.9810 72.4800 34.6080 H 212 VAL212 0.0233 3502 CG2 21.6880 70.3250 34.5250 C.3 212 VAL212 -0.0608 3503 HG21 21.0620 69.4380 34.6090 H 212 VAL212 0.0233 3504 HG22 22.5930 70.1380 35.1000 H 212 VAL212 0.0233 3505 HG23 21.9720 70.4070 33.4790 H 212 VAL212 0.0233 3506 N 21.5740 74.4180 36.7990 N.am 213 ASN213 -0.2452 3507 H 22.2790 73.8450 37.2620 H 213 ASN213 0.1312 3508 CA 21.0590 75.6080 37.4850 C.3 213 ASN213 0.0957 3509 HA 20.0850 75.8750 37.0800 H 213 ASN213 0.0562 3510 C 21.9780 76.8060 37.3060 C.2 213 ASN213 0.2192 3511 O 21.5300 77.9430 37.1460 O.2 213 ASN213 -0.2778 3512 CB 20.9420 75.2860 38.9840 C.3 213 ASN213 0.0446 3513 HB1 20.5880 76.1460 39.5530 H 213 ASN213 0.0375 3514 HB2 21.9100 74.9970 39.4000 H 213 ASN213 0.0375 3515 CG 19.9440 74.1380 39.1800 C.2 213 ASN213 0.2000 3516 OD1 18.9520 74.0240 38.4660 O.2 213 ASN213 -0.2797 3517 ND2 20.2690 73.3070 40.1780 N.am 213 ASN213 -0.2723 3518 HD21 19.6960 72.5210 40.4050 H 213 ASN213 0.1266 3519 HD22 21.0930 73.4570 40.7260 H 213 ASN213 0.1266 3520 N 23.2740 76.5370 37.3600 N.am 214 SER214 -0.2436 3521 H 23.5800 75.5660 37.4220 H 214 SER214 0.1312 3522 CA 24.2670 77.5920 37.3330 C.3 214 SER214 0.1109 3523 HA 23.8200 78.4820 37.7700 H 214 SER214 0.0580 3524 C 24.6290 77.9380 35.9060 C.2 214 SER214 0.2209 3525 O 24.2080 78.9650 35.3790 O.2 214 SER214 -0.2777 3526 CB 25.4630 77.1950 38.1930 C.3 214 SER214 0.0681 3527 HB1 25.0560 76.9930 39.1780 H 214 SER214 0.0577 3528 HB2 26.1520 78.0350 38.2970 H 214 SER214 0.0577 3529 OG 26.1290 76.0440 37.6900 O.3 214 SER214 -0.3930 3530 HG 26.8410 75.7700 38.2630 H 214 SER214 0.2095 3531 N 25.4080 77.0600 35.2880 N.am 215 ALA215 -0.2459 3532 H 25.6810 76.2090 35.7800 H 215 ALA215 0.1312 3533 CA 25.8850 77.2720 33.9320 C.3 215 ALA215 0.0850 3534 HA 26.4490 78.2050 33.9530 H 215 ALA215 0.0554 3535 C 24.7430 77.4410 32.9340 C.2 215 ALA215 0.2184 3536 O 24.8220 78.2750 32.0380 O.2 215 ALA215 -0.2778 3537 CB 26.8100 76.1260 33.5240 C.3 215 ALA215 -0.0411 3538 HB1 27.1980 76.2660 32.5140 H 215 ALA215 0.0249 3539 HB2 26.3000 75.1640 33.5580 H 215 ALA215 0.0249 3540 HB3 27.6630 76.0800 34.1990 H 215 ALA215 0.0249 3541 N 23.6790 76.6630 33.0970 N.am 216 ALA216 -0.2459 3542 H 23.6130 76.0700 33.9240 H 216 ALA216 0.1312 3543 CA 22.6000 76.6420 32.1110 C.3 216 ALA216 0.0850 3544 HA 23.0900 76.6370 31.1340 H 216 ALA216 0.0554 3545 C 21.7160 77.8910 32.1480 C.2 216 ALA216 0.2184 3546 O 20.9450 78.1330 31.2160 O.2 216 ALA216 -0.2778 3547 CB 21.7730 75.3690 32.1990 C.3 216 ALA216 -0.0411 3548 HB1 21.1690 75.2250 31.3020 H 216 ALA216 0.0249 3549 HB2 21.1030 75.4020 33.0460 H 216 ALA216 0.0249 3550 HB3 22.4320 74.5120 32.3020 H 216 ALA216 0.0249 3551 N 21.8260 78.6810 33.2140 N.am 217 HIS217 -0.2453 3552 H 22.5060 78.4510 33.9380 H 217 HIS217 0.1312 3553 CA 20.9910 79.8720 33.3680 C.3 217 HIS217 0.0932 3554 HA 20.1090 79.7650 32.6950 H 217 HIS217 0.0561 3555 C 21.7240 81.1540 32.9850 C.2 217 HIS217 0.2190 3556 O 21.1480 82.2440 33.0200 O.2 217 HIS217 -0.2778 3557 CB 20.4780 79.9860 34.8070 C.3 217 HIS217 0.0146 3558 HB1 20.3100 81.0540 35.0810 H 217 HIS217 0.0348 3559 HB2 21.2820 79.5980 35.4740 H 217 HIS217 0.0348 3560 CG 19.2500 79.1740 35.0780 C.ar 217 HIS217 0.0551 3561 ND1 18.0320 79.7400 35.3830 N.ar 217 HIS217 -0.2469 3562 CD2 19.0540 77.8340 35.0770 C.ar 217 HIS217 0.0047 3563 HD2 19.8120 77.0610 34.8680 H 217 HIS217 0.0764 3564 CE1 17.1380 78.7840 35.5660 C.ar 217 HIS217 0.0737 3565 HE1 16.0770 78.9340 35.8250 H 217 HIS217 0.0963 3566 NE2 17.7310 77.6190 35.3860 N.ar 217 HIS217 -0.2539 3567 HE2 17.2810 76.7070 35.4630 H 217 HIS217 0.1339 3568 N 22.9940 81.0240 32.6180 N.am 218 LEU218 -0.2456 3569 H 23.4180 80.0960 32.5950 H 218 LEU218 0.1312 3570 CA 23.7910 82.1870 32.2480 C.3 218 LEU218 0.0880 3571 HA 23.1740 83.0830 32.2450 H 218 LEU218 0.0557 3572 C 24.3860 82.0420 30.8470 C.2 218 LEU218 0.2187 3573 O 24.5610 83.0340 30.1340 O.2 218 LEU218 -0.2778 3574 CB 24.9270 82.3620 33.2710 C.3 218 LEU218 -0.0266 3575 HB1 25.5430 83.2190 32.9930 H 218 LEU218 0.0287 3576 HB2 25.5830 81.4920 33.2190 H 218 LEU218 0.0287 3577 CG 24.4680 82.5300 34.7340 C.3 218 LEU218 -0.0449 3578 HG 23.9100 81.6400 35.0280 H 218 LEU218 0.0296 3579 CD1 25.6880 82.6270 35.6550 C.3 218 LEU218 -0.0626 3580 HD11 25.3980 82.5840 36.7050 H 218 LEU218 0.0232 3581 HD12 26.2310 83.5590 35.4940 H 218 LEU218 0.0232 3582 HD13 26.3820 81.8120 35.4610 H 218 LEU218 0.0232 3583 CD2 23.5630 83.7530 34.9410 C.3 218 LEU218 -0.0626 3584 HD21 23.2870 83.8570 35.9910 H 218 LEU218 0.0232 3585 HD22 22.6370 83.6780 34.3740 H 218 LEU218 0.0232 3586 HD23 24.0670 84.6710 34.6390 H 218 LEU218 0.0232 3587 N 24.6840 80.8070 30.4480 N.am 219 PHE219 -0.2453 3588 H 24.4220 80.0160 31.0370 H 219 PHE219 0.1312 3589 CA 25.3780 80.5590 29.1850 C.3 219 PHE219 0.0917 3590 HA 25.5690 81.5060 28.6790 H 219 PHE219 0.0560 3591 C 24.5930 79.6520 28.2320 C.2 219 PHE219 0.2188 3592 O 24.1030 78.5900 28.6260 O.2 219 PHE219 -0.2778 3593 CB 26.7250 79.8820 29.5070 C.3 219 PHE219 -0.0036 3594 HB1 27.3590 79.8500 28.6200 H 219 PHE219 0.0333 3595 HB2 26.5610 78.8440 29.8050 H 219 PHE219 0.0333 3596 CG 27.4730 80.5820 30.6140 C.ar 219 PHE219 -0.0454 3597 CD1 27.7140 79.9310 31.8200 C.ar 219 PHE219 -0.0585 3598 HD1 27.3900 78.9100 31.9550 H 219 PHE219 0.0620 3599 CD2 27.9100 81.8950 30.4600 C.ar 219 PHE219 -0.0585 3600 HD2 27.7390 82.4170 29.5300 H 219 PHE219 0.0620 3601 CE1 28.3580 80.5830 32.8630 C.ar 219 PHE219 -0.0615 3602 HE1 28.5310 80.0690 33.7980 H 219 PHE219 0.0618 3603 CE2 28.5530 82.5510 31.5010 C.ar 219 PHE219 -0.0615 3604 HE2 28.8850 83.5710 31.3750 H 219 PHE219 0.0618 3605 CZ 28.7740 81.8970 32.7060 C.ar 219 PHE219 -0.0617 3606 HZ 29.2750 82.4060 33.5160 H 219 PHE219 0.0618 3607 N 24.4980 80.0710 26.9710 N.am 220 GLY220 -0.2485 3608 H 24.9420 80.9520 26.7110 H 220 GLY220 0.1309 3609 CA 23.7840 79.3180 25.9520 C.3 220 GLY220 0.0765 3610 HA1 23.1090 78.5900 26.4040 H 220 GLY220 0.0521 3611 HA2 24.5340 78.7660 25.3860 H 220 GLY220 0.0521 3612 C 23.0380 80.2370 25.0050 C.2 220 GLY220 0.2155 3613 O 23.4420 81.3860 24.8090 O.2 220 GLY220 -0.2781 3614 N 21.9480 79.7390 24.4220 N.am 221 TYR221 -0.2456 3615 H 21.6750 78.7770 24.6220 H 221 TYR221 0.1312 3616 CA 21.1310 80.5340 23.5020 C.3 221 TYR221 0.0917 3617 HA 21.3200 81.5900 23.7000 H 221 TYR221 0.0560 3618 C 19.6320 80.3100 23.7320 C.2 221 TYR221 0.2190 3619 O 19.2240 79.2540 24.2160 O.2 221 TYR221 -0.2778 3620 CB 21.5420 80.2140 22.0500 C.3 221 TYR221 -0.0036 3621 HB1 22.5680 80.5470 21.8890 H 221 TYR221 0.0333 3622 HB2 20.9320 80.7810 21.3450 H 221 TYR221 0.0333 3623 CG 21.4660 78.7460 21.7050 C.ar 221 TYR221 -0.0453 3624 CD1 20.3310 78.2180 21.0960 C.ar 221 TYR221 -0.0561 3625 HD1 19.4890 78.8560 20.8790 H 221 TYR221 0.0621 3626 CD2 22.5440 77.9020 21.9610 C.ar 221 TYR221 -0.0561 3627 HD2 23.4390 78.2900 22.4250 H 221 TYR221 0.0621 3628 CE1 20.2670 76.8690 20.7670 C.ar 221 TYR221 -0.0317 3629 HE1 19.3790 76.4570 20.3110 H 221 TYR221 0.0643 3630 CE2 22.4790 76.5510 21.6420 C.ar 221 TYR221 -0.0317 3631 HE2 23.3110 75.9000 21.8610 H 221 TYR221 0.0643 3632 CZ 21.3390 76.0340 21.0460 C.ar 221 TYR221 0.0726 3633 OH 21.2700 74.6920 20.7340 O.3 221 TYR221 -0.3598 3634 HH 21.9390 74.2200 21.2100 H 221 TYR221 0.2173 3635 N 18.8160 81.3010 23.3790 N.am 222 ARG222 -0.2456 3636 H 19.2010 82.1220 22.9110 H 222 ARG222 0.1312 3637 CA 17.3790 81.2390 23.6470 C.3 222 ARG222 0.0881 3638 HA 17.1260 80.2740 24.0870 H 222 ARG222 0.0557 3639 C 16.5170 81.4390 22.4040 C.2 222 ARG222 0.2213 3640 O 16.0590 82.5480 22.1360 O.2 222 ARG222 -0.2776 3641 CB 17.0180 82.3440 24.6680 C.3 222 ARG222 -0.0258 3642 HB1 15.9350 82.3730 24.7880 H 222 ARG222 0.0286 3643 HB2 17.3020 83.3140 24.2600 H 222 ARG222 0.0286 3644 CG 17.6390 82.1720 26.0670 C.3 222 ARG222 -0.0154 3645 HG1 18.7220 82.0740 25.9870 H 222 ARG222 0.0299 3646 HG2 17.2880 81.2350 26.4990 H 222 ARG222 0.0299 3647 CD 17.3030 83.3330 27.0260 C.3 222 ARG222 0.1045 3648 HD1 17.6440 83.1060 28.0380 H 222 ARG222 0.0711 3649 HD2 16.2260 83.5180 27.0730 H 222 ARG222 0.0711 3650 NE 17.9650 84.5590 26.5610 N.pl3 222 ARG222 -0.4450 3651 HE 18.3570 84.5550 25.6450 H 222 ARG222 0.3153 3652 CZ 18.0630 85.6880 27.2650 C.cat 222 ARG222 0.5062 3653 NH1 17.5570 85.8030 28.4590 N.pl3 222 ARG222 -0.4573 3654 HH11 17.6710 86.6240 29.0110 H 222 ARG222 0.3114 3655 HH12 17.0050 85.0540 28.8260 H 222 ARG222 0.3114 3656 NH2 18.6790 86.7190 26.7510 N.pl3 222 ARG222 -0.4573 3657 HH21 18.7220 87.5670 27.2760 H 222 ARG222 0.3114 3658 HH22 19.0920 86.6730 25.8470 H 222 ARG222 0.3114 3659 N 16.2760 80.3600 21.6470 N.am 223 PRO223 -0.2316 3660 CA 15.4300 80.4700 20.4580 C.3 223 PRO223 0.0907 3661 HA 15.5427 81.4514 19.9988 H 223 PRO223 0.0559 3662 C 13.9630 80.1730 20.7590 C.2 223 PRO223 0.2189 3663 O 13.1620 80.0720 19.8340 O.2 223 PRO223 -0.2778 3664 CB 16.0298 79.3558 19.5928 C.3 223 PRO223 -0.0276 3665 HB1 16.9107 79.7408 19.0783 H 223 PRO223 0.0285 3666 HB2 15.3528 78.9699 18.8292 H 223 PRO223 0.0285 3667 CG 16.4734 78.2761 20.5845 C.3 223 PRO223 -0.0379 3668 HG1 17.3264 77.7040 20.2212 H 223 PRO223 0.0278 3669 HG2 15.6586 77.5728 20.7360 H 223 PRO223 0.0278 3670 CD 16.7732 79.0098 21.8966 C.3 223 PRO223 0.0071 3671 HD1 16.2266 78.5869 22.7422 H 223 PRO223 0.0431 3672 HD2 17.8315 79.0490 22.1260 H 223 PRO223 0.0431 3673 N 13.6200 80.0410 22.0380 N.am 224 TYR224 -0.2453 3674 H 14.3290 80.1690 22.7600 H 224 TYR224 0.1312 3675 CA 12.2500 79.7170 22.4320 C.3 224 TYR224 0.0917 3676 HA 11.6220 79.6450 21.5430 H 224 TYR224 0.0560 3677 C 11.6280 80.8300 23.2740 C.2 224 TYR224 0.2190 3678 O 10.4450 81.1400 23.1280 O.2 224 TYR224 -0.2778 3679 CB 12.2310 78.3580 23.1600 C.3 224 TYR224 -0.0036 3680 HB1 11.2290 78.1430 23.5340 H 224 TYR224 0.0333 3681 HB2 12.8860 78.3790 24.0320 H 224 TYR224 0.0333 3682 CG 12.6380 77.2270 22.2440 C.ar 224 TYR224 -0.0453 3683 CD1 13.8020 76.4960 22.4780 C.ar 224 TYR224 -0.0561 3684 HD1 14.4290 76.7120 23.3320 H 224 TYR224 0.0621 3685 CD2 11.8490 76.8940 21.1440 C.ar 224 TYR224 -0.0561 3686 HD2 10.9380 77.4390 20.9430 H 224 TYR224 0.0621 3687 CE1 14.1700 75.4610 21.6240 C.ar 224 TYR224 -0.0317 3688 HE1 15.0670 74.8910 21.8220 H 224 TYR224 0.0643 3689 CE2 12.2240 75.8660 20.2870 C.ar 224 TYR224 -0.0317 3690 HE2 11.6180 75.6210 19.4280 H 224 TYR224 0.0643 3691 CZ 13.3810 75.1430 20.5270 C.ar 224 TYR224 0.0726 3692 OH 13.7400 74.1100 19.6810 O.3 224 TYR224 -0.3598 3693 HH 13.0290 73.9070 19.0800 H 224 TYR224 0.2173 3694 N 12.4290 81.4190 24.1590 N.am 225 ASP225 -0.2451 3695 H 13.3890 81.0880 24.2520 H 225 ASP225 0.1312 3696 CA 11.9770 82.5250 25.0030 C.3 225 ASP225 0.0974 3697 HA 11.4260 83.1490 24.3180 H 225 ASP225 0.0563 3698 C 13.1610 83.4080 25.3950 C.2 225 ASP225 0.2192 3699 O 14.0340 82.9860 26.1510 O.2 225 ASP225 -0.2778 3700 CB 11.0150 82.2060 26.1490 C.3 225 ASP225 0.0576 3701 HB1 11.5200 81.7650 27.0020 H 225 ASP225 0.0394 3702 HB2 10.2760 81.4800 25.8160 H 225 ASP225 0.0394 3703 CG 10.2590 83.4990 26.5640 C.2 225 ASP225 0.1780 3704 OD1 10.7030 84.6090 26.2570 O.co2 225 ASP225 -0.6478 3705 OD2 9.2130 83.3900 27.1800 O.co2 225 ASP225 -0.6478 3706 N 13.1830 84.6350 24.8780 N.am 226 LYS226 -0.2456 3707 H 12.4100 84.9360 24.2850 H 226 LYS226 0.1312 3708 CA 14.2820 85.5650 25.1350 C.3 226 LYS226 0.0878 3709 HA 15.1850 84.9520 25.1260 H 226 LYS226 0.0557 3710 C 14.2060 86.1860 26.5280 C.2 226 LYS226 0.2187 3711 O 15.2320 86.4350 27.1600 O.2 226 LYS226 -0.2778 3712 CB 14.4190 86.5920 23.9870 C.3 226 LYS226 -0.0289 3713 HB1 14.1260 86.1280 23.0450 H 226 LYS226 0.0285 3714 HB2 15.4830 86.8080 23.8790 H 226 LYS226 0.0285 3715 CG 13.7100 87.9540 24.1450 C.3 226 LYS226 -0.0496 3716 HG1 14.0930 88.6200 23.3690 H 226 LYS226 0.0266 3717 HG2 14.0000 88.4180 25.0880 H 226 LYS226 0.0266 3718 CD 12.1800 87.9230 24.0260 C.3 226 LYS226 -0.0278 3719 HD1 11.7660 87.2810 24.8040 H 226 LYS226 0.0282 3720 HD2 11.8950 87.4820 23.0720 H 226 LYS226 0.0282 3721 CE 11.5810 89.3360 24.1220 C.3 226 LYS226 0.1103 3722 HE1 11.7630 89.8900 23.1990 H 226 LYS226 0.0559 3723 HE2 12.0680 89.8960 24.9230 H 226 LYS226 0.0559 3724 NZ 10.1430 89.3450 24.3930 N.4 226 LYS226 -0.0749 3725 HZ1 9.8010 90.3260 24.4580 H 226 LYS226 0.2742 3726 HZ2 9.9700 88.8870 25.3130 H 226 LYS226 0.2742 3727 HZ3 9.6270 88.8340 23.6500 H 226 LYS226 0.2742 3728 N 12.9880 86.4290 27.0040 N.am 227 ASN227 -0.2452 3729 H 12.1760 86.0800 26.4950 H 227 ASN227 0.1312 3730 CA 12.7860 87.1840 28.2370 C.3 227 ASN227 0.0957 3731 HA 13.3330 88.1250 28.1740 H 227 ASN227 0.0562 3732 C 13.1710 86.4250 29.4990 C.2 227 ASN227 0.2191 3733 O 13.7040 87.0130 30.4400 O.2 227 ASN227 -0.2778 3734 CB 11.2690 87.3970 28.4620 C.3 227 ASN227 0.0446 3735 HB1 11.0980 88.0330 29.3320 H 227 ASN227 0.0375 3736 HB2 10.7690 86.4480 28.6750 H 227 ASN227 0.0375 3737 CG 10.5270 88.0330 27.2900 C.2 227 ASN227 0.2000 3738 OD1 10.7850 89.1610 26.8910 O.2 227 ASN227 -0.2797 3739 ND2 9.5660 87.2490 26.7750 N.am 227 ASN227 -0.2723 3740 HD21 8.8610 87.5440 26.1360 H 227 ASN227 0.1266 3741 HD22 9.5350 86.2830 27.0570 H 227 ASN227 0.1266 3742 N 12.9060 85.1240 29.5230 N.am 228 ILE228 -0.2454 3743 H 12.3840 84.6970 28.7570 H 228 ILE228 0.1312 3744 CA 13.3570 84.3060 30.6370 C.3 228 ILE228 0.0903 3745 HA 13.1720 84.8540 31.5640 H 228 ILE228 0.0560 3746 C 14.8610 84.0740 30.4930 C.2 228 ILE228 0.2190 3747 O 15.4840 84.5550 29.5460 O.2 228 ILE228 -0.2778 3748 CB 12.5750 82.9730 30.6530 C.3 228 ILE228 -0.0201 3749 HB 12.8480 82.4430 31.5670 H 228 ILE228 0.0318 3750 CG1 12.9280 82.0640 29.4570 C.3 228 ILE228 -0.0514 3751 HG11 14.0030 81.8960 29.4070 H 228 ILE228 0.0266 3752 HG12 12.6740 82.5780 28.5320 H 228 ILE228 0.0266 3753 CG2 11.0610 83.2360 30.7260 C.3 228 ILE228 -0.0605 3754 HG21 10.5070 82.3190 30.9220 H 228 ILE228 0.0233 3755 HG22 10.6800 83.6570 29.7950 H 228 ILE228 0.0233 3756 HG23 10.8230 83.9330 31.5300 H 228 ILE228 0.0233 3757 CD1 12.2510 80.6890 29.5140 C.3 228 ILE228 -0.0650 3758 HD11 12.6280 80.0440 28.7230 H 228 ILE228 0.0230 3759 HD12 11.1720 80.7710 29.3880 H 228 ILE228 0.0230 3760 HD13 12.4470 80.1930 30.4650 H 228 ILE228 0.0230 3761 N 15.4450 83.3510 31.4420 N.am 229 SER229 -0.2436 3762 H 14.8650 82.8670 32.1270 H 229 SER229 0.1312 3763 CA 16.8990 83.2330 31.5270 C.3 229 SER229 0.1111 3764 HA 17.3330 83.9110 30.7940 H 229 SER229 0.0580 3765 C 17.5070 81.8540 31.2340 C.2 229 SER229 0.2236 3766 O 18.6600 81.7950 30.8040 O.2 229 SER229 -0.2775 3767 CB 17.4410 83.6740 32.8870 C.3 229 SER229 0.0681 3768 HB1 16.9260 84.5960 33.1720 H 229 SER229 0.0577 3769 HB2 18.4980 83.9370 32.7960 H 229 SER229 0.0577 3770 OG 17.3430 82.6270 33.8490 O.3 229 SER229 -0.3930 3771 HG 17.3520 83.0000 34.7330 H 229 SER229 0.2095 3772 N 16.7740 80.7460 31.4940 N.am 230 PRO230 -0.2315 3773 CA 17.4320 79.4770 31.1560 C.3 230 PRO230 0.0907 3774 HA 18.2890 79.3530 31.8120 H 230 PRO230 0.0559 3775 C 17.8250 79.3890 29.6860 C.2 230 PRO230 0.2189 3776 O 17.1350 79.9270 28.8200 O.2 230 PRO230 -0.2778 3777 CB 16.3190 78.4620 31.4620 C.3 230 PRO230 -0.0276 3778 HB1 16.7100 77.5540 31.9110 H 230 PRO230 0.0285 3779 HB2 15.7940 78.1700 30.5530 H 230 PRO230 0.0285 3780 CG 15.3120 79.1690 32.3680 C.3 230 PRO230 -0.0379 3781 HG1 15.5380 78.9860 33.4150 H 230 PRO230 0.0278 3782 HG2 14.2910 78.8550 32.1740 H 230 PRO230 0.0278 3783 CD 15.4480 80.6480 32.0750 C.3 230 PRO230 0.0071 3784 HD1 14.7290 80.9600 31.3190 H 230 PRO230 0.0431 3785 HD2 15.3810 81.2650 32.9740 H 230 PRO230 0.0431 3786 N 18.9490 78.7360 29.4210 N.am 231 ARG231 -0.2456 3787 H 19.4340 78.2520 30.1760 H 231 ARG231 0.1312 3788 CA 19.5050 78.6950 28.0790 C.3 231 ARG231 0.0879 3789 HA 18.9020 79.3020 27.4010 H 231 ARG231 0.0557 3790 C 19.5520 77.2720 27.5460 C.2 231 ARG231 0.2187 3791 O 19.5980 76.3070 28.3100 O.2 231 ARG231 -0.2778 3792 CB 20.9490 79.2230 28.1180 C.3 231 ARG231 -0.0258 3793 HB1 21.2700 79.4180 27.0980 H 231 ARG231 0.0286 3794 HB2 21.6100 78.4470 28.5100 H 231 ARG231 0.0286 3795 CG 21.1770 80.4790 28.9670 C.3 231 ARG231 -0.0154 3796 HG1 22.2440 80.6870 29.0050 H 231 ARG231 0.0299 3797 HG2 20.8880 80.3020 30.0030 H 231 ARG231 0.0299 3798 CD 20.4620 81.7230 28.4440 C.3 231 ARG231 0.1045 3799 HD1 19.3820 81.5660 28.4250 H 231 ARG231 0.0711 3800 HD2 20.7780 81.9930 27.4340 H 231 ARG231 0.0711 3801 NE 20.7320 82.8100 29.3840 N.pl3 231 ARG231 -0.4450 3802 HE 20.1060 82.9190 30.1570 H 231 ARG231 0.3153 3803 CZ 21.7740 83.6250 29.3420 C.cat 231 ARG231 0.5062 3804 NH1 22.6210 83.5920 28.3470 N.pl3 231 ARG231 -0.4573 3805 HH11 23.4270 84.1800 28.3670 H 231 ARG231 0.3114 3806 HH12 22.4740 82.9660 27.5870 H 231 ARG231 0.3114 3807 NH2 21.9580 84.4650 30.3250 N.pl3 231 ARG231 -0.4573 3808 HH21 22.7440 85.0800 30.3200 H 231 ARG231 0.3114 3809 HH22 21.3240 84.4820 31.0970 H 231 ARG231 0.3114 3810 N 19.5290 77.1510 26.2240 N.am 232 GLU232 -0.2456 3811 H 19.3280 77.9730 25.6540 H 232 GLU232 0.1312 3812 CA 19.7820 75.8800 25.5670 C.3 232 GLU232 0.0883 3813 HA 19.3060 75.0800 26.1340 H 232 GLU232 0.0557 3814 C 21.2840 75.6580 25.5200 C.2 232 GLU232 0.2187 3815 O 21.9870 76.3110 24.7500 O.2 232 GLU232 -0.2778 3816 CB 19.2980 75.9170 24.1010 C.3 232 GLU232 -0.0193 3817 HB1 19.5330 74.9700 23.6120 H 232 GLU232 0.0290 3818 HB2 19.8450 76.6860 23.5580 H 232 GLU232 0.0290 3819 CG 17.8100 76.2080 23.9060 C.3 232 GLU232 0.0356 3820 HG1 17.5560 76.2090 22.8470 H 232 GLU232 0.0374 3821 HG2 17.5660 77.1890 24.3030 H 232 GLU232 0.0374 3822 CD 16.9530 75.1730 24.6180 C.2 232 GLU232 0.1760 3823 OE1 16.3690 74.3240 23.9580 O.co2 232 GLU232 -0.6478 3824 OE2 16.8820 75.2340 25.8360 O.co2 232 GLU232 -0.6478 3825 N 21.7820 74.7520 26.3540 N.am 233 ASN233 -0.2452 3826 H 21.1550 74.2270 26.9630 H 233 ASN233 0.1312 3827 CA 23.2160 74.5020 26.4070 C.3 233 ASN233 0.0957 3828 HA 23.7210 75.1330 25.6730 H 233 ASN233 0.0562 3829 C 23.5660 73.0570 26.0740 C.2 233 ASN233 0.2191 3830 O 23.1430 72.1310 26.7630 O.2 233 ASN233 -0.2778 3831 CB 23.6940 74.9140 27.8090 C.3 233 ASN233 0.0446 3832 HB1 23.3120 74.2340 28.5670 H 233 ASN233 0.0375 3833 HB2 23.2900 75.8980 28.0480 H 233 ASN233 0.0375 3834 CG 25.2280 74.9890 27.9140 C.2 233 ASN233 0.2000 3835 OD1 25.9580 74.1740 27.3670 O.2 233 ASN233 -0.2797 3836 ND2 25.6720 76.0160 28.6530 N.am 233 ASN233 -0.2723 3837 HD21 26.6560 76.1310 28.7880 H 233 ASN233 0.1266 3838 HD22 25.0440 76.6710 29.0730 H 233 ASN233 0.1266 3839 N 24.3480 72.8810 25.0140 N.am 234 ILE234 -0.2454 3840 H 24.7150 73.7020 24.5330 H 234 ILE234 0.1312 3841 CA 24.7010 71.5590 24.5130 C.3 234 ILE234 0.0903 3842 HA 23.7700 71.0060 24.3730 H 234 ILE234 0.0560 3843 C 25.5500 70.7830 25.5120 C.2 234 ILE234 0.2189 3844 O 25.3100 69.5990 25.7580 O.2 234 ILE234 -0.2778 3845 CB 25.4120 71.7620 23.1530 C.3 234 ILE234 -0.0201 3846 HB 26.1930 72.5090 23.3000 H 234 ILE234 0.0318 3847 CG1 24.4170 72.3180 22.1090 C.3 234 ILE234 -0.0514 3848 HG11 23.8630 73.1590 22.5270 H 234 ILE234 0.0266 3849 HG12 23.6700 71.5590 21.8740 H 234 ILE234 0.0266 3850 CG2 26.1000 70.4870 22.6330 C.3 234 ILE234 -0.0605 3851 HG21 26.6130 70.6640 21.6890 H 234 ILE234 0.0233 3852 HG22 25.3740 69.6950 22.4730 H 234 ILE234 0.0233 3853 HG23 26.8530 70.1160 23.3280 H 234 ILE234 0.0233 3854 CD1 25.0820 72.8030 20.8150 C.3 234 ILE234 -0.0650 3855 HD11 24.3460 73.2620 20.1550 H 234 ILE234 0.0230 3856 HD12 25.5440 71.9840 20.2660 H 234 ILE234 0.0230 3857 HD13 25.8500 73.5480 21.0240 H 234 ILE234 0.0230 3858 N 26.5470 71.4600 26.0740 N.am 235 LEU235 -0.2456 3859 H 26.6840 72.4400 25.8260 H 235 LEU235 0.1312 3860 CA 27.4490 70.8400 27.0340 C.3 235 LEU235 0.0880 3861 HA 27.8840 69.9660 26.5470 H 235 LEU235 0.0557 3862 C 26.6880 70.3460 28.2520 C.2 235 LEU235 0.2187 3863 O 26.8510 69.2010 28.6700 O.2 235 LEU235 -0.2778 3864 CB 28.5500 71.8340 27.4520 C.3 235 LEU235 -0.0266 3865 HB1 29.1460 71.3750 28.2430 H 235 LEU235 0.0287 3866 HB2 28.0980 72.7200 27.9010 H 235 LEU235 0.0287 3867 CG 29.5210 72.2720 26.3340 C.3 235 LEU235 -0.0449 3868 HG 30.3160 72.8270 26.8330 H 235 LEU235 0.0296 3869 CD1 30.1840 71.0790 25.6310 C.3 235 LEU235 -0.0626 3870 HD11 30.9730 71.4150 24.9580 H 235 LEU235 0.0232 3871 HD12 29.4650 70.5160 25.0350 H 235 LEU235 0.0232 3872 HD13 30.6320 70.3960 26.3520 H 235 LEU235 0.0232 3873 CD2 28.8980 73.2430 25.3200 C.3 235 LEU235 -0.0626 3874 HD21 29.6730 73.7140 24.7140 H 235 LEU235 0.0232 3875 HD22 28.3430 74.0370 25.8200 H 235 LEU235 0.0232 3876 HD23 28.2230 72.7370 24.6310 H 235 LEU235 0.0232 3877 N 25.8570 71.2150 28.8190 N.am 236 VAL236 -0.2454 3878 H 25.7860 72.1590 28.4390 H 236 VAL236 0.1312 3879 CA 25.0450 70.8480 29.9710 C.3 236 VAL236 0.0901 3880 HA 25.7290 70.5420 30.7640 H 236 VAL236 0.0560 3881 C 24.1570 69.6550 29.6280 C.2 236 VAL236 0.2190 3882 O 24.0330 68.7240 30.4190 O.2 236 VAL236 -0.2778 3883 CB 24.1900 72.0450 30.4320 C.3 236 VAL236 -0.0227 3884 HB 23.5820 72.3560 29.5830 H 236 VAL236 0.0315 3885 CG1 23.2310 71.6650 31.5710 C.3 236 VAL236 -0.0608 3886 HG11 22.5580 72.4840 31.8030 H 236 VAL236 0.0233 3887 HG12 23.7800 71.4070 32.4770 H 236 VAL236 0.0233 3888 HG13 22.5950 70.8190 31.3130 H 236 VAL236 0.0233 3889 CG2 25.0630 73.2300 30.8710 C.3 236 VAL236 -0.0608 3890 HG21 24.4560 74.1080 31.0900 H 236 VAL236 0.0233 3891 HG22 25.7850 73.5100 30.1060 H 236 VAL236 0.0233 3892 HG23 25.6270 72.9860 31.7710 H 236 VAL236 0.0233 3893 N 23.5660 69.6740 28.4340 N.am 237 SER237 -0.2436 3894 H 23.6630 70.5020 27.8460 H 237 SER237 0.1312 3895 CA 22.7820 68.5420 27.9420 C.3 237 SER237 0.1109 3896 HA 21.9850 68.3630 28.6650 H 237 SER237 0.0580 3897 C 23.6400 67.2890 27.8550 C.2 237 SER237 0.2209 3898 O 23.1340 66.1730 27.9520 O.2 237 SER237 -0.2777 3899 CB 22.1860 68.8340 26.5540 C.3 237 SER237 0.0681 3900 HB1 21.6420 67.9520 26.1990 H 237 SER237 0.0577 3901 HB2 22.9870 69.0370 25.8370 H 237 SER237 0.0577 3902 OG 21.2910 69.9330 26.6220 O.3 237 SER237 -0.3930 3903 HG 20.9770 70.2000 25.7600 H 237 SER237 0.2095 3904 N 24.9400 67.4830 27.6600 N.am 238 LEU238 -0.2456 3905 H 25.2930 68.4370 27.5850 H 238 LEU238 0.1312 3906 CA 25.8740 66.3710 27.5500 C.3 238 LEU238 0.0880 3907 HA 25.3240 65.4940 27.2060 H 238 LEU238 0.0557 3908 C 26.4640 66.0500 28.9210 C.2 238 LEU238 0.2185 3909 O 26.7230 64.8880 29.2390 O.2 238 LEU238 -0.2778 3910 CB 26.9530 66.7530 26.5230 C.3 238 LEU238 -0.0266 3911 HB1 27.4970 67.6260 26.8790 H 238 LEU238 0.0287 3912 HB2 26.4630 67.0670 25.6010 H 238 LEU238 0.0287 3913 CG 27.9590 65.6340 26.1950 C.3 238 LEU238 -0.0449 3914 HG 28.4340 65.3110 27.1220 H 238 LEU238 0.0296 3915 CD1 27.2740 64.4150 25.5620 C.3 238 LEU238 -0.0626 3916 HD11 28.0060 63.6570 25.2840 H 238 LEU238 0.0232 3917 HD12 26.7230 64.6930 24.6630 H 238 LEU238 0.0232 3918 HD13 26.5740 63.9450 26.2530 H 238 LEU238 0.0232 3919 CD2 29.0640 66.1670 25.2740 C.3 238 LEU238 -0.0626 3920 HD21 29.8050 65.3960 25.0640 H 238 LEU238 0.0232 3921 HD22 29.5830 67.0090 25.7320 H 238 LEU238 0.0232 3922 HD23 28.6530 66.5050 24.3230 H 238 LEU238 0.0232 3923 N 26.6660 67.0900 29.7280 N.am 239 GLY239 -0.2485 3924 H 26.5410 68.0330 29.3590 H 239 GLY239 0.1309 3925 CA 27.0580 66.9250 31.1170 C.3 239 GLY239 0.0765 3926 HA1 27.2090 67.9180 31.5380 H 239 GLY239 0.0521 3927 HA2 27.9910 66.3610 31.1500 H 239 GLY239 0.0521 3928 C 25.9680 66.1900 31.8740 C.2 239 GLY239 0.2155 3929 O 26.1680 65.0640 32.3310 O.2 239 GLY239 -0.2781 3930 N 24.8020 66.8200 31.9950 N.am 240 ALA240 -0.2462 3931 H 24.7430 67.8150 31.7770 H 240 ALA240 0.1311 3932 CA 23.6090 66.1090 32.4350 C.3 240 ALA240 0.0850 3933 HA 23.8490 65.6320 33.3840 H 240 ALA240 0.0554 3934 C 23.3140 65.0390 31.3990 C.2 240 ALA240 0.2184 3935 O 23.9730 64.9700 30.3630 O.2 240 ALA240 -0.2778 3936 CB 22.4400 67.0920 32.5880 C.3 240 ALA240 -0.0411 3937 HB1 21.5520 66.5960 32.9790 H 240 ALA240 0.0249 3938 HB2 22.1710 67.5520 31.6360 H 240 ALA240 0.0249 3939 HB3 22.7010 67.8930 33.2800 H 240 ALA240 0.0249 3940 N 22.3210 64.2040 31.6480 N.am 241 VAL241 -0.2454 3941 H 21.7070 64.3480 32.4500 H 241 VAL241 0.1312 3942 CA 22.1240 63.0780 30.7560 C.3 241 VAL241 0.0901 3943 HA 23.0490 62.8960 30.2030 H 241 VAL241 0.0560 3944 C 21.0860 63.4310 29.6800 C.2 241 VAL241 0.2187 3945 O 20.6840 62.5900 28.8730 O.2 241 VAL241 -0.2778 3946 CB 21.8650 61.8090 31.6180 C.3 241 VAL241 -0.0227 3947 HB 22.0210 62.0950 32.6580 H 241 VAL241 0.0315 3948 CG1 20.4490 61.2310 31.5480 C.3 241 VAL241 -0.0608 3949 HG11 20.3030 60.4680 32.3130 H 241 VAL241 0.0233 3950 HG12 20.2590 60.7640 30.5830 H 241 VAL241 0.0233 3951 HG13 19.7090 62.0080 31.7130 H 241 VAL241 0.0233 3952 CG2 22.8990 60.7090 31.3370 C.3 241 VAL241 -0.0608 3953 HG21 22.7400 59.8480 31.9860 H 241 VAL241 0.0233 3954 HG22 23.9130 61.0690 31.5140 H 241 VAL241 0.0233 3955 HG23 22.8430 60.3680 30.3030 H 241 VAL241 0.0233 3956 N 20.6970 64.7010 29.6480 N.am 242 GLY242 -0.2485 3957 H 21.0330 65.3400 30.3690 H 242 GLY242 0.1309 3958 CA 19.8090 65.2060 28.6180 C.3 242 GLY242 0.0765 3959 HA1 19.0210 64.4750 28.4420 H 242 GLY242 0.0521 3960 HA2 20.4010 65.3360 27.7110 H 242 GLY242 0.0521 3961 C 19.1750 66.5290 29.0040 C.2 242 GLY242 0.2155 3962 O 18.6100 67.2260 28.1630 O.2 242 GLY242 -0.2781 3963 N 19.2740 66.8800 30.2830 N.am 243 GLU243 -0.2459 3964 H 19.8150 66.2930 30.9190 H 243 GLU243 0.1312 3965 CA 18.6290 68.0830 30.8000 C.3 243 GLU243 0.0883 3966 HA 17.7020 68.2700 30.2540 H 243 GLU243 0.0557 3967 C 19.5260 69.3080 30.6780 C.2 243 GLU243 0.2185 3968 O 20.0850 69.7720 31.6700 O.2 243 GLU243 -0.2778 3969 CB 18.3810 67.8480 32.2990 C.3 243 GLU243 -0.0193 3970 HB1 18.2080 68.7810 32.8390 H 243 GLU243 0.0290 3971 HB2 19.2730 67.4070 32.7450 H 243 GLU243 0.0290 3972 CG 17.1870 66.9330 32.5300 C.3 243 GLU243 0.0356 3973 HG1 17.1330 66.6230 33.5730 H 243 GLU243 0.0374 3974 HG2 17.2950 66.0430 31.9150 H 243 GLU243 0.0374 3975 CD 15.8650 67.6140 32.1660 C.2 243 GLU243 0.1760 3976 OE1 15.8230 68.8290 31.9740 O.co2 243 GLU243 -0.6478 3977 OE2 14.8650 66.9150 32.0810 O.co2 243 GLU243 -0.6478 3978 N 19.6570 69.8330 29.4650 N.am 244 GLY244 -0.2485 3979 H 19.1920 69.3860 28.6750 H 244 GLY244 0.1309 3980 CA 20.4490 71.0300 29.2400 C.3 244 GLY244 0.0765 3981 HA1 21.4020 70.7490 28.8160 H 244 GLY244 0.0521 3982 HA2 20.6320 71.5500 30.1800 H 244 GLY244 0.0521 3983 C 19.7310 71.9850 28.3100 C.2 244 GLY244 0.2155 3984 O 20.0970 73.1530 28.1880 O.2 244 GLY244 -0.2781 3985 N 18.6980 71.4800 27.6480 N.am 245 PHE245 -0.2456 3986 H 18.5040 70.4810 27.7120 H 245 PHE245 0.1312 3987 CA 17.8380 72.3190 26.8340 C.3 245 PHE245 0.0917 3988 HA 18.4440 73.0850 26.3490 H 245 PHE245 0.0560 3989 C 16.8500 73.0080 27.7620 C.2 245 PHE245 0.2190 3990 O 15.6570 72.7090 27.7550 O.2 245 PHE245 -0.2778 3991 CB 17.1790 71.4550 25.7530 C.3 245 PHE245 -0.0036 3992 HB1 16.4540 72.0390 25.1850 H 245 PHE245 0.0333 3993 HB2 16.6390 70.6390 26.2200 H 245 PHE245 0.0333 3994 CG 18.1940 70.8620 24.8080 C.ar 245 PHE245 -0.0454 3995 CD1 18.7080 71.6220 23.7630 C.ar 245 PHE245 -0.0585 3996 HD1 18.3770 72.6450 23.6350 H 245 PHE245 0.0620 3997 CD2 18.6290 69.5480 24.9630 C.ar 245 PHE245 -0.0585 3998 HD2 18.2520 68.9520 25.7820 H 245 PHE245 0.0620 3999 CE1 19.6400 71.0810 22.8870 C.ar 245 PHE245 -0.0615 4000 HE1 20.0310 71.6870 22.0830 H 245 PHE245 0.0618 4001 CE2 19.5480 68.9970 24.0790 C.ar 245 PHE245 -0.0615 4002 HE2 19.8730 67.9770 24.2110 H 245 PHE245 0.0618 4003 CZ 20.0600 69.7660 23.0430 C.ar 245 PHE245 -0.0617 4004 HZ 20.7820 69.3450 22.3600 H 245 PHE245 0.0618 4005 N 17.3640 73.9380 28.5600 N.am 246 HIS246 -0.2453 4006 H 18.3110 74.2740 28.3830 H 246 HIS246 0.1312 4007 CA 16.6150 74.4930 29.6810 C.3 246 HIS246 0.0932 4008 HA 15.9830 73.6800 30.1070 H 246 HIS246 0.0561 4009 C 15.6940 75.6340 29.2650 C.2 246 HIS246 0.2191 4010 O 14.6730 75.8740 29.9080 O.2 246 HIS246 -0.2778 4011 CB 17.5740 74.9680 30.7780 C.3 246 HIS246 0.0146 4012 HB1 17.8070 76.0510 30.6520 H 246 HIS246 0.0348 4013 HB2 18.5290 74.4090 30.6440 H 246 HIS246 0.0348 4014 CG 17.0940 74.6930 32.1680 C.ar 246 HIS246 0.0551 4015 ND1 16.2230 73.6610 32.4610 N.ar 246 HIS246 -0.2469 4016 CD2 17.3520 75.3070 33.3440 C.ar 246 HIS246 0.0047 4017 HD2 18.0110 76.1790 33.4930 H 246 HIS246 0.0764 4018 CE1 15.9720 73.6560 33.7610 C.ar 246 HIS246 0.0737 4019 HE1 15.3140 72.9460 34.2890 H 246 HIS246 0.0963 4020 NE2 16.6460 74.6490 34.3170 N.ar 246 HIS246 -0.2539 4021 HE2 16.6410 74.8860 35.3090 H 246 HIS246 0.1339 4022 N 16.0540 76.3420 28.1980 N.am 247 ASN247 -0.2452 4023 H 16.9450 76.1500 27.7400 H 247 ASN247 0.1312 4024 CA 15.1850 77.3900 27.6780 C.3 247 ASN247 0.0957 4025 HA 14.9420 78.0500 28.5090 H 247 ASN247 0.0562 4026 C 13.9020 76.7650 27.1500 C.2 247 ASN247 0.2191 4027 O 12.8220 77.3480 27.2550 O.2 247 ASN247 -0.2778 4028 CB 15.8670 78.1550 26.5230 C.3 247 ASN247 0.0446 4029 HB1 15.9240 77.5280 25.6380 H 247 ASN247 0.0375 4030 HB2 16.8890 78.4110 26.7880 H 247 ASN247 0.0375 4031 CG 15.1340 79.4520 26.1100 C.2 247 ASN247 0.2000 4032 OD1 14.9230 79.7330 24.9370 O.2 247 ASN247 -0.2797 4033 ND2 14.7610 80.2330 27.1330 N.am 247 ASN247 -0.2723 4034 HD21 14.2460 81.0700 26.9510 H 247 ASN247 0.1266 4035 HD22 14.9810 79.9940 28.0770 H 247 ASN247 0.1266 4036 N 14.0290 75.5630 26.5930 N.am 248 TYR248 -0.2453 4037 H 14.9590 75.1590 26.4870 H 248 TYR248 0.1312 4038 CA 12.8710 74.8120 26.1310 C.3 248 TYR248 0.0917 4039 HA 12.2460 75.4950 25.5530 H 248 TYR248 0.0560 4040 C 12.0680 74.2870 27.3120 C.2 248 TYR248 0.2190 4041 O 10.8460 74.4190 27.3480 O.2 248 TYR248 -0.2778 4042 CB 13.3240 73.6450 25.2360 C.3 248 TYR248 -0.0036 4043 HB1 13.9980 72.9780 25.7760 H 248 TYR248 0.0333 4044 HB2 13.9020 74.0350 24.3990 H 248 TYR248 0.0333 4045 CG 12.1560 72.8560 24.6930 C.ar 248 TYR248 -0.0453 4046 CD1 11.6610 71.7460 25.3750 C.ar 248 TYR248 -0.0561 4047 HD1 12.1240 71.4360 26.3010 H 248 TYR248 0.0621 4048 CD2 11.5430 73.2400 23.5060 C.ar 248 TYR248 -0.0561 4049 HD2 11.9080 74.1020 22.9680 H 248 TYR248 0.0621 4050 CE1 10.5900 71.0200 24.8680 C.ar 248 TYR248 -0.0317 4051 HE1 10.2330 70.1450 25.3920 H 248 TYR248 0.0643 4052 CE2 10.4720 72.5190 22.9990 C.ar 248 TYR248 -0.0317 4053 HE2 10.0180 72.8200 22.0690 H 248 TYR248 0.0643 4054 CZ 10.0040 71.3980 23.6690 C.ar 248 TYR248 0.0726 4055 OH 8.9790 70.6510 23.1230 O.3 248 TYR248 -0.3598 4056 HH 8.4020 71.2400 22.6520 H 248 TYR248 0.2173 4057 N 12.7590 73.6850 28.2760 N.am 249 HIS249 -0.2453 4058 H 13.7780 73.7170 28.2620 H 249 HIS249 0.1312 4059 CA 12.0750 72.9800 29.3520 C.3 249 HIS249 0.0932 4060 HA 11.3260 72.2970 28.8880 H 249 HIS249 0.0561 4061 C 11.3300 73.9080 30.3050 C.2 249 HIS249 0.2191 4062 O 10.2560 73.5630 30.7860 O.2 249 HIS249 -0.2778 4063 CB 13.0520 72.1250 30.1520 C.3 249 HIS249 0.0146 4064 HB1 13.8980 72.7420 30.5370 H 249 HIS249 0.0348 4065 HB2 13.4840 71.3730 29.4510 H 249 HIS249 0.0348 4066 CG 12.3940 71.3680 31.2640 C.ar 249 HIS249 0.0551 4067 ND1 11.3710 70.4750 31.0440 N.ar 249 HIS249 -0.2469 4068 CD2 12.5930 71.3980 32.6000 C.ar 249 HIS249 0.0047 4069 HD2 13.3330 72.0140 33.1390 H 249 HIS249 0.0764 4070 CE1 10.9750 69.9690 32.1980 C.ar 249 HIS249 0.0737 4071 HE1 10.1780 69.2190 32.3360 H 249 HIS249 0.0963 4072 NE2 11.7000 70.5170 33.1610 N.ar 249 HIS249 -0.2539 4073 HE2 11.6100 70.3180 34.1570 H 249 HIS249 0.1339 4074 N 11.8930 75.0760 30.5920 N.am 250 HIS250 -0.2453 4075 H 12.8180 75.2970 30.2240 H 250 HIS250 0.1312 4076 CA 11.1950 76.0450 31.4310 C.3 250 HIS250 0.0932 4077 HA 10.8410 75.5220 32.3500 H 250 HIS250 0.0561 4078 C 9.9780 76.6010 30.6970 C.2 250 HIS250 0.2191 4079 O 9.0220 77.0590 31.3200 O.2 250 HIS250 -0.2778 4080 CB 12.1320 77.1770 31.8540 C.3 250 HIS250 0.0146 4081 HB1 11.6030 78.1580 31.8160 H 250 HIS250 0.0348 4082 HB2 12.9570 77.2190 31.1040 H 250 HIS250 0.0348 4083 CG 12.7640 76.9720 33.1930 C.ar 250 HIS250 0.0551 4084 ND1 12.1430 77.3220 34.3750 N.ar 250 HIS250 -0.2469 4085 CD2 13.9700 76.4570 33.5440 C.ar 250 HIS250 0.0047 4086 HD2 14.7430 76.0720 32.8570 H 250 HIS250 0.0764 4087 CE1 12.9360 77.0290 35.3900 C.ar 250 HIS250 0.0737 4088 HE1 12.7060 77.1950 36.4560 H 250 HIS250 0.0963 4089 NE2 14.0470 76.5050 34.9160 N.ar 250 HIS250 -0.2539 4090 HE2 14.8370 76.1860 35.4760 H 250 HIS250 0.1339 4091 N 10.0240 76.5470 29.3690 N.am 251 SER251 -0.2436 4092 H 10.8700 76.1960 28.9190 H 251 SER251 0.1312 4093 CA 8.9060 76.9730 28.5330 C.3 251 SER251 0.1109 4094 HA 8.4130 77.8230 29.0070 H 251 SER251 0.0580 4095 C 7.8890 75.8430 28.3620 C.2 251 SER251 0.2209 4096 O 6.6910 76.0950 28.2300 O.2 251 SER251 -0.2777 4097 CB 9.4270 77.3640 27.1330 C.3 251 SER251 0.0681 4098 HB1 8.6070 77.3980 26.4150 H 251 SER251 0.0577 4099 HB2 10.1120 76.6120 26.7230 H 251 SER251 0.0577 4100 OG 10.0160 78.6520 27.1260 O.3 251 SER251 -0.3930 4101 HG 10.8790 78.6160 27.5330 H 251 SER251 0.2095 4102 N 8.3720 74.6000 28.3580 N.am 252 PHE252 -0.2453 4103 H 9.3790 74.4630 28.4410 H 252 PHE252 0.1312 4104 CA 7.5050 73.4240 28.2390 C.3 252 PHE252 0.0920 4105 HA 6.4650 73.7010 28.4190 H 252 PHE252 0.0560 4106 C 7.9060 72.3220 29.2260 C.2 252 PHE252 0.2217 4107 O 8.5040 71.3240 28.8320 O.2 252 PHE252 -0.2776 4108 CB 7.6500 72.8870 26.8010 C.3 252 PHE252 -0.0036 4109 HB1 7.0310 72.0010 26.6710 H 252 PHE252 0.0333 4110 HB2 8.6780 72.5650 26.6220 H 252 PHE252 0.0333 4111 CG 7.2750 73.8990 25.7440 C.ar 252 PHE252 -0.0454 4112 CD1 5.9410 74.2050 25.4960 C.ar 252 PHE252 -0.0585 4113 HD1 5.1640 73.7300 26.0770 H 252 PHE252 0.0620 4114 CD2 8.2600 74.5230 24.9830 C.ar 252 PHE252 -0.0585 4115 HD2 9.3020 74.3010 25.1660 H 252 PHE252 0.0620 4116 CE1 5.5960 75.1020 24.4920 C.ar 252 PHE252 -0.0615 4117 HE1 4.5550 75.3130 24.2940 H 252 PHE252 0.0618 4118 CE2 7.9190 75.4160 23.9750 C.ar 252 PHE252 -0.0615 4119 HE2 8.6950 75.8720 23.3760 H 252 PHE252 0.0618 4120 CZ 6.5850 75.7020 23.7240 C.ar 252 PHE252 -0.0617 4121 HZ 6.3150 76.3770 22.9240 H 252 PHE252 0.0618 4122 N 7.5750 72.5010 30.5150 N.am 253 PRO253 -0.2316 4123 CA 8.0190 71.6060 31.5930 C.3 253 PRO253 0.0907 4124 HA 9.0920 71.5270 31.4810 H 253 PRO253 0.0559 4125 C 7.3790 70.2190 31.5600 C.2 253 PRO253 0.2189 4126 O 7.9410 69.2680 32.1060 O.2 253 PRO253 -0.2778 4127 CB 7.6210 72.3650 32.8690 C.3 253 PRO253 -0.0276 4128 HB1 8.4490 72.4160 33.5650 H 253 PRO253 0.0285 4129 HB2 6.7780 71.8940 33.3780 H 253 PRO253 0.0285 4130 CG 7.2180 73.7700 32.4380 C.3 253 PRO253 -0.0379 4131 HG1 8.0880 74.4270 32.4690 H 253 PRO253 0.0278 4132 HG2 6.4480 74.2080 33.0740 H 253 PRO253 0.0278 4133 CD 6.7660 73.6210 30.9950 C.3 253 PRO253 0.0071 4134 HD1 5.7200 73.3230 30.9120 H 253 PRO253 0.0431 4135 HD2 6.9380 74.5400 30.4430 H 253 PRO253 0.0431 4136 N 6.2170 70.1090 30.9280 N.am 254 TYR254 -0.2453 4137 H 5.8260 70.9270 30.4610 H 254 TYR254 0.1312 4138 CA 5.4850 68.8470 30.8840 C.3 254 TYR254 0.0917 4139 HA 5.6740 68.3020 31.8100 H 254 TYR254 0.0560 4140 C 5.9460 67.9520 29.7340 C.2 254 TYR254 0.2190 4141 O 5.4440 66.8400 29.5550 O.2 254 TYR254 -0.2778 4142 CB 3.9730 69.1500 30.7730 C.3 254 TYR254 -0.0036 4143 HB1 3.5690 69.2720 31.7780 H 254 TYR254 0.0333 4144 HB2 3.4250 68.3170 30.3360 H 254 TYR254 0.0333 4145 CG 3.6700 70.4050 29.9880 C.ar 254 TYR254 -0.0453 4146 CD1 3.9300 70.4780 28.6210 C.ar 254 TYR254 -0.0561 4147 HD1 4.3070 69.6170 28.0880 H 254 TYR254 0.0621 4148 CD2 3.1990 71.5420 30.6430 C.ar 254 TYR254 -0.0561 4149 HD2 3.0000 71.5150 31.7040 H 254 TYR254 0.0621 4150 CE1 3.7480 71.6720 27.9330 C.ar 254 TYR254 -0.0317 4151 HE1 3.9690 71.7400 26.8810 H 254 TYR254 0.0643 4152 CE2 3.0070 72.7310 29.9520 C.ar 254 TYR254 -0.0317 4153 HE2 2.6530 73.6090 30.4720 H 254 TYR254 0.0643 4154 CZ 3.2930 72.7990 28.5980 C.ar 254 TYR254 0.0726 4155 OH 3.1370 73.9860 27.9120 O.3 254 TYR254 -0.3598 4156 HH 2.8020 74.6490 28.5010 H 254 TYR254 0.2173 4157 N 6.9000 68.4470 28.9530 N.am 255 ASP255 -0.2451 4158 H 7.2350 69.3960 29.1180 H 255 ASP255 0.1312 4159 CA 7.4790 67.6680 27.8670 C.3 255 ASP255 0.0974 4160 HA 6.6200 67.3060 27.2950 H 255 ASP255 0.0563 4161 C 8.1850 66.4610 28.4680 C.2 255 ASP255 0.2192 4162 O 8.9160 66.5980 29.4450 O.2 255 ASP255 -0.2778 4163 CB 8.3840 68.4870 26.9440 C.3 255 ASP255 0.0576 4164 HB1 9.3730 68.6630 27.3590 H 255 ASP255 0.0394 4165 HB2 7.9420 69.4660 26.7620 H 255 ASP255 0.0394 4166 CG 8.4650 67.7560 25.5930 C.2 255 ASP255 0.1780 4167 OD1 7.5090 67.8300 24.8350 O.co2 255 ASP255 -0.6478 4168 OD2 9.4590 67.1130 25.2660 O.co2 255 ASP255 -0.6478 4169 N 7.9680 65.2770 27.9070 N.am 256 TYR256 -0.2453 4170 H 7.4010 65.2060 27.0620 H 256 TYR256 0.1312 4171 CA 8.5440 64.0820 28.5040 C.3 256 TYR256 0.0917 4172 HA 8.4950 64.1850 29.5820 H 256 TYR256 0.0560 4173 C 10.0180 63.9770 28.1220 C.2 256 TYR256 0.2191 4174 O 10.7810 63.2360 28.7410 O.2 256 TYR256 -0.2778 4175 CB 7.7650 62.8240 28.0870 C.3 256 TYR256 -0.0036 4176 HB1 6.7080 63.0660 27.9690 H 256 TYR256 0.0333 4177 HB2 7.8110 62.1020 28.9020 H 256 TYR256 0.0333 4178 CG 8.2640 62.1430 26.8320 C.ar 256 TYR256 -0.0453 4179 CD1 9.0300 60.9820 26.9200 C.ar 256 TYR256 -0.0561 4180 HD1 9.3450 60.6230 27.8870 H 256 TYR256 0.0621 4181 CD2 7.9350 62.6270 25.5700 C.ar 256 TYR256 -0.0561 4182 HD2 7.4210 63.5630 25.4540 H 256 TYR256 0.0621 4183 CE1 9.3480 60.2550 25.7790 C.ar 256 TYR256 -0.0317 4184 HE1 9.9110 59.3350 25.8530 H 256 TYR256 0.0643 4185 CE2 8.2030 61.8790 24.4360 C.ar 256 TYR256 -0.0317 4186 HE2 7.8670 62.2200 23.4690 H 256 TYR256 0.0643 4187 CZ 8.8650 60.6690 24.5470 C.ar 256 TYR256 0.0726 4188 OH 9.0070 59.8790 23.4300 O.3 256 TYR256 -0.3598 4189 HH 9.6250 59.1730 23.6040 H 256 TYR256 0.2173 4190 N 10.4040 64.7240 27.0910 N.am 257 SER257 -0.2436 4191 H 9.6980 65.0800 26.4470 H 257 SER257 0.1312 4192 CA 11.8060 65.0500 26.8520 C.3 257 SER257 0.1109 4193 HA 12.4400 64.3160 27.3430 H 257 SER257 0.0580 4194 C 12.0420 66.4290 27.4430 C.2 257 SER257 0.2209 4195 O 11.0890 67.1160 27.7960 O.2 257 SER257 -0.2777 4196 CB 12.0530 65.0570 25.3330 C.3 257 SER257 0.0681 4197 HB1 11.4680 65.8360 24.8310 H 257 SER257 0.0577 4198 HB2 11.6800 64.1180 24.9220 H 257 SER257 0.0577 4199 OG 13.4300 65.1470 24.9850 O.3 257 SER257 -0.3930 4200 HG 13.7390 66.0480 25.0880 H 257 SER257 0.2095 4201 N 13.2970 66.8430 27.5640 N.am 258 ALA258 -0.2459 4202 H 14.0640 66.2140 27.3280 H 258 ALA258 0.1312 4203 CA 13.5850 68.1930 28.0330 C.3 258 ALA258 0.0850 4204 HA 12.7080 68.6230 28.5220 H 258 ALA258 0.0554 4205 C 13.9450 69.0900 26.8570 C.2 258 ALA258 0.2185 4206 O 14.5910 70.1230 27.0270 O.2 258 ALA258 -0.2778 4207 CB 14.7420 68.1700 29.0210 C.3 258 ALA258 -0.0411 4208 HB1 14.9870 69.1680 29.3880 H 258 ALA258 0.0249 4209 HB2 15.6450 67.7330 28.5950 H 258 ALA258 0.0249 4210 HB3 14.4320 67.5820 29.8740 H 258 ALA258 0.0249 4211 N 13.5160 68.6860 25.6640 N.am 259 SER259 -0.2436 4212 H 12.8700 67.8990 25.6070 H 259 SER259 0.1312 4213 CA 13.9470 69.3410 24.4380 C.3 259 SER259 0.1109 4214 HA 14.1250 70.3970 24.6560 H 259 SER259 0.0580 4215 C 12.9040 69.2820 23.3340 C.2 259 SER259 0.2209 4216 O 11.9280 68.5340 23.4150 O.2 259 SER259 -0.2777 4217 CB 15.2520 68.6780 23.9770 C.3 259 SER259 0.0681 4218 HB1 16.0040 68.8370 24.7520 H 259 SER259 0.0577 4219 HB2 15.6190 69.1700 23.0660 H 259 SER259 0.0577 4220 OG 15.0740 67.2720 23.8110 O.3 259 SER259 -0.3930 4221 HG 15.7330 66.9070 23.2270 H 259 SER259 0.2095 4222 N 13.1260 70.0870 22.3000 N.am 260 GLU260 -0.2456 4223 H 13.8950 70.7560 22.3480 H 260 GLU260 0.1312 4224 CA 12.3040 70.0410 21.1010 C.3 260 GLU260 0.0883 4225 HA 11.2720 70.0460 21.4540 H 260 GLU260 0.0557 4226 C 12.5060 68.7050 20.3990 C.2 260 GLU260 0.2187 4227 O 11.5460 68.0480 20.0010 O.2 260 GLU260 -0.2778 4228 CB 12.4340 71.2160 20.1040 C.3 260 GLU260 -0.0193 4229 HB1 13.4740 71.3910 19.8310 H 260 GLU260 0.0290 4230 HB2 12.0770 72.1320 20.5740 H 260 GLU260 0.0290 4231 CG 11.5910 70.8940 18.8440 C.3 260 GLU260 0.0356 4232 HG1 10.6670 70.4030 19.1500 H 260 GLU260 0.0374 4233 HG2 12.1090 70.1690 18.2210 H 260 GLU260 0.0374 4234 CD 11.1780 72.0470 17.9260 C.2 260 GLU260 0.1760 4235 OE1 12.0150 72.7610 17.3860 O.co2 260 GLU260 -0.6478 4236 OE2 9.9840 72.2200 17.7100 O.co2 260 GLU260 -0.6478 4237 N 13.7670 68.3030 20.2700 N.am 261 TYR261 -0.2453 4238 H 14.5120 68.8700 20.6740 H 261 TYR261 0.1312 4239 CA 14.1130 67.0750 19.5670 C.3 261 TYR261 0.0917 4240 HA 13.2710 66.7990 18.9280 H 261 TYR261 0.0560 4241 C 14.3600 65.9100 20.5210 C.2 261 TYR261 0.2190 4242 O 15.1640 66.0080 21.4500 O.2 261 TYR261 -0.2778 4243 CB 15.3140 67.3680 18.6510 C.3 261 TYR261 -0.0036 4244 HB1 15.6160 66.4700 18.1100 H 261 TYR261 0.0333 4245 HB2 16.1760 67.6900 19.2370 H 261 TYR261 0.0333 4246 CG 14.9430 68.4430 17.6590 C.ar 261 TYR261 -0.0453 4247 CD1 15.2140 69.7820 17.9310 C.ar 261 TYR261 -0.0561 4248 HD1 15.7610 70.0570 18.8220 H 261 TYR261 0.0621 4249 CD2 14.2080 68.1240 16.5200 C.ar 261 TYR261 -0.0561 4250 HD2 13.9800 67.0930 16.2960 H 261 TYR261 0.0621 4251 CE1 14.7010 70.7840 17.1190 C.ar 261 TYR261 -0.0317 4252 HE1 14.8510 71.8220 17.3820 H 261 TYR261 0.0643 4253 CE2 13.7030 69.1270 15.6990 C.ar 261 TYR261 -0.0317 4254 HE2 13.0960 68.8760 14.8430 H 261 TYR261 0.0643 4255 CZ 13.9270 70.4590 16.0150 C.ar 261 TYR261 0.0726 4256 OH 13.3170 71.4630 15.2900 O.3 261 TYR261 -0.3598 4257 HH 13.3910 72.2570 15.8130 H 261 TYR261 0.2173 4258 N 13.6660 64.8030 20.2810 N.am 262 ARG262 -0.2456 4259 H 12.9370 64.8160 19.5680 H 262 ARG262 0.1312 4260 CA 13.9240 63.5710 21.0150 C.3 262 ARG262 0.0879 4261 HA 13.9550 63.8380 22.0740 H 262 ARG262 0.0557 4262 C 15.2720 62.9740 20.6090 C.2 262 ARG262 0.2187 4263 O 15.7010 63.1080 19.4590 O.2 262 ARG262 -0.2778 4264 CB 12.8450 62.5020 20.7830 C.3 262 ARG262 -0.0258 4265 HB1 13.0420 61.6910 21.4840 H 262 ARG262 0.0286 4266 HB2 12.9570 62.0640 19.7900 H 262 ARG262 0.0286 4267 CG 11.4000 63.0040 20.9380 C.3 262 ARG262 -0.0154 4268 HG1 11.0100 63.2600 19.9530 H 262 ARG262 0.0299 4269 HG2 11.3850 63.9360 21.5050 H 262 ARG262 0.0299 4270 CD 10.4440 62.0180 21.6370 C.3 262 ARG262 0.1045 4271 HD1 9.4040 62.1670 21.3400 H 262 ARG262 0.0711 4272 HD2 10.4900 62.1880 22.7140 H 262 ARG262 0.0711 4273 NE 10.7700 60.6010 21.4720 N.pl3 262 ARG262 -0.4450 4274 HE 10.9170 60.0190 22.2810 H 262 ARG262 0.3153 4275 CZ 10.8890 59.8890 20.3650 C.cat 262 ARG262 0.5062 4276 NH1 10.7740 60.4250 19.1810 N.pl3 262 ARG262 -0.4573 4277 HH11 10.8790 59.8550 18.3700 H 262 ARG262 0.3114 4278 HH12 10.5840 61.3970 19.1080 H 262 ARG262 0.3114 4279 NH2 11.1230 58.6180 20.4820 N.pl3 262 ARG262 -0.4573 4280 HH21 11.2850 58.0170 19.7080 H 262 ARG262 0.3114 4281 HH22 11.1390 58.2420 21.4180 H 262 ARG262 0.3114 4282 N 15.9340 62.3350 21.5710 N.am 263 TRP263 -0.2453 4283 H 15.5690 62.3930 22.5220 H 263 TRP263 0.1312 4284 CA 17.1560 61.5530 21.3490 C.3 263 TRP263 0.0918 4285 HA 17.4200 61.1420 22.3240 H 263 TRP263 0.0560 4286 C 18.3590 62.3590 20.8750 C.2 263 TRP263 0.2190 4287 O 19.4360 61.7930 20.7260 O.2 263 TRP263 -0.2778 4288 CB 16.9230 60.3920 20.3520 C.3 263 TRP263 -0.0021 4289 HB1 17.8330 59.7970 20.2580 H 263 TRP263 0.0334 4290 HB2 16.7110 60.7810 19.3550 H 263 TRP263 0.0334 4291 CG 15.8000 59.4450 20.7430 C.ar 263 TRP263 -0.0260 4292 CD1 14.9870 59.4820 21.8810 C.ar 263 TRP263 -0.0136 4293 HD1 15.0410 60.2010 22.6810 H 263 TRP263 0.0748 4294 CD2 15.3940 58.2720 20.0070 C.ar 263 TRP263 -0.0028 4295 NE1 14.1060 58.4560 21.8460 N.ar 263 TRP263 -0.2641 4296 HE1 13.4350 58.2660 22.5390 H 263 TRP263 0.1331 4297 CE2 14.3420 57.6660 20.7320 C.ar 263 TRP263 0.0269 4298 CE3 15.8410 57.7030 18.8440 C.ar 263 TRP263 -0.0528 4299 HE3 16.6520 58.1620 18.2990 H 263 TRP263 0.0624 4300 CZ2 13.7760 56.5060 20.2770 C.ar 263 TRP263 -0.0430 4301 HZ2 12.9850 56.0380 20.8410 H 263 TRP263 0.0633 4302 CZ3 15.2650 56.5210 18.3770 C.ar 263 TRP263 -0.0611 4303 HZ3 15.6290 56.0660 17.4670 H 263 TRP263 0.0618 4304 CH2 14.2320 55.9200 19.0960 C.ar 263 TRP263 -0.0602 4305 HH2 13.7950 54.9970 18.7450 H 263 TRP263 0.0618 4306 N 18.1870 63.6520 20.6180 N.am 264 HIS264 -0.2453 4307 H 17.2840 64.0870 20.8090 H 264 HIS264 0.1312 4308 CA 19.2710 64.4590 20.0660 C.3 264 HIS264 0.0932 4309 HA 19.4920 64.0590 19.0750 H 264 HIS264 0.0561 4310 C 20.5340 64.3400 20.9180 C.2 264 HIS264 0.2190 4311 O 21.5620 63.8320 20.4630 O.2 264 HIS264 -0.2778 4312 CB 18.7500 65.9060 19.9580 C.3 264 HIS264 0.0146 4313 HB1 18.4400 66.2820 20.9330 H 264 HIS264 0.0348 4314 HB2 17.8690 65.9300 19.3180 H 264 HIS264 0.0348 4315 CG 19.7820 66.8470 19.3750 C.ar 264 HIS264 0.0551 4316 ND1 20.7720 66.4710 18.5400 N.ar 264 HIS264 -0.2469 4317 CD2 19.8910 68.2310 19.5900 C.ar 264 HIS264 0.0047 4318 HD2 19.2420 68.8370 20.2060 H 264 HIS264 0.0764 4319 CE1 21.4770 67.5830 18.2730 C.ar 264 HIS264 0.0737 4320 HE1 22.3460 67.6010 17.6300 H 264 HIS264 0.0963 4321 NE2 20.9690 68.6620 18.8950 N.ar 264 HIS264 -0.2539 4322 HE2 21.3060 69.5810 18.8450 H 264 HIS264 0.1339 4323 N 20.4450 64.8060 22.1560 N.am 265 ILE265 -0.2454 4324 H 19.5950 65.2940 22.4400 H 265 ILE265 0.1312 4325 CA 21.5190 64.6440 23.1230 C.3 265 ILE265 0.0903 4326 HA 22.1780 63.8340 22.8010 H 265 ILE265 0.0560 4327 C 20.8240 64.2060 24.4180 C.2 265 ILE265 0.2189 4328 O 21.4210 64.1020 25.4920 O.2 265 ILE265 -0.2778 4329 CB 22.3130 65.9650 23.3170 C.3 265 ILE265 -0.0201 4330 HB 21.6830 66.6670 23.8630 H 265 ILE265 0.0318 4331 CG1 22.6490 66.6280 21.9650 C.3 265 ILE265 -0.0514 4332 HG11 21.7290 66.8850 21.4450 H 265 ILE265 0.0266 4333 HG12 23.1790 65.9220 21.3240 H 265 ILE265 0.0266 4334 CG2 23.5920 65.7520 24.1550 C.3 265 ILE265 -0.0605 4335 HG21 24.1000 66.6930 24.3620 H 265 ILE265 0.0233 4336 HG22 24.2970 65.1000 23.6380 H 265 ILE265 0.0233 4337 HG23 23.3890 65.3100 25.1290 H 265 ILE265 0.0233 4338 CD1 23.4720 67.9130 22.0920 C.3 265 ILE265 -0.0650 4339 HD11 23.5460 68.4220 21.1310 H 265 ILE265 0.0230 4340 HD12 24.4860 67.6900 22.4210 H 265 ILE265 0.0230 4341 HD13 23.0260 68.6060 22.8060 H 265 ILE265 0.0230 4342 N 19.5360 63.9130 24.2740 N.am 266 ASN266 -0.2452 4343 H 19.0980 64.0780 23.3680 H 266 ASN266 0.1312 4344 CA 18.7220 63.3680 25.3500 C.3 266 ASN266 0.0957 4345 HA 19.1170 63.8200 26.2620 H 266 ASN266 0.0562 4346 C 18.8970 61.8650 25.5050 C.2 266 ASN266 0.2191 4347 O 18.1480 61.0900 24.9070 O.2 266 ASN266 -0.2778 4348 CB 17.2680 63.8350 25.1460 C.3 266 ASN266 0.0446 4349 HB1 16.6470 63.0490 24.7290 H 266 ASN266 0.0375 4350 HB2 17.2370 64.6520 24.4240 H 266 ASN266 0.0375 4351 CG 16.6580 64.3510 26.4640 C.2 266 ASN266 0.2000 4352 OD1 16.6000 63.6520 27.4670 O.2 266 ASN266 -0.2797 4353 ND2 16.2170 65.6190 26.4010 N.am 266 ASN266 -0.2723 4354 HD21 15.8550 66.0930 27.2020 H 266 ASN266 0.1266 4355 HD22 16.2430 66.1410 25.5480 H 266 ASN266 0.1266 4356 N 19.8730 61.4500 26.3090 N.am 267 PHE267 -0.2453 4357 H 20.4890 62.1340 26.7480 H 267 PHE267 0.1312 4358 CA 20.0740 60.0280 26.5710 C.3 267 PHE267 0.0917 4359 HA 20.1500 59.5240 25.6050 H 267 PHE267 0.0560 4360 C 18.8780 59.4560 27.3120 C.2 267 PHE267 0.2191 4361 O 18.5900 58.2680 27.2100 O.2 267 PHE267 -0.2778 4362 CB 21.3750 59.8250 27.3740 C.3 267 PHE267 -0.0036 4363 HB1 21.3700 60.4360 28.2740 H 267 PHE267 0.0333 4364 HB2 22.2270 60.1630 26.7840 H 267 PHE267 0.0333 4365 CG 21.6000 58.3900 27.7790 C.ar 267 PHE267 -0.0454 4366 CD1 21.9860 57.4420 26.8370 C.ar 267 PHE267 -0.0585 4367 HD1 22.1420 57.7340 25.8090 H 267 PHE267 0.0620 4368 CD2 21.3950 57.9880 29.0970 C.ar 267 PHE267 -0.0585 4369 HD2 21.0870 58.7050 29.8430 H 267 PHE267 0.0620 4370 CE1 22.1630 56.1140 27.2050 C.ar 267 PHE267 -0.0615 4371 HE1 22.4600 55.3850 26.4660 H 267 PHE267 0.0618 4372 CE2 21.5750 56.6620 29.4690 C.ar 267 PHE267 -0.0615 4373 HE2 21.4160 56.3630 30.4950 H 267 PHE267 0.0618 4374 CZ 21.9590 55.7240 28.5220 C.ar 267 PHE267 -0.0617 4375 HZ 22.1000 54.6920 28.8090 H 267 PHE267 0.0618 4376 N 18.1840 60.3090 28.0570 N.am 268 THR268 -0.2434 4377 H 18.4600 61.2910 28.0800 H 268 THR268 0.1313 4378 CA 17.0390 59.8730 28.8400 C.3 268 THR268 0.1135 4379 HA 17.3440 58.9690 29.3660 H 268 THR268 0.0583 4380 C 15.8190 59.6080 27.9840 C.2 268 THR268 0.2213 4381 O 15.1270 58.6140 28.1920 O.2 268 THR268 -0.2777 4382 CB 16.6500 60.9690 29.8540 C.3 268 THR268 0.0763 4383 HB 15.9630 61.6890 29.4000 H 268 THR268 0.0611 4384 OG1 17.7640 61.6930 30.3300 O.3 268 THR268 -0.3900 4385 HG1 18.2680 62.0400 29.5980 H 268 THR268 0.2098 4386 CG2 15.9410 60.3580 31.0620 C.3 268 THR268 -0.0370 4387 HG21 15.4380 61.1120 31.6620 H 268 THR268 0.0255 4388 HG22 16.6520 59.8330 31.6990 H 268 THR268 0.0255 4389 HG23 15.1830 59.6410 30.7500 H 268 THR268 0.0255 4390 N 15.5390 60.5120 27.0480 N.am 269 THR269 -0.2433 4391 H 16.1180 61.3480 26.9680 H 269 THR269 0.1313 4392 CA 14.4200 60.3270 26.1380 C.3 269 THR269 0.1135 4393 HA 13.5280 60.2650 26.7630 H 269 THR269 0.0583 4394 C 14.5910 58.9780 25.4510 C.2 269 THR269 0.2212 4395 O 13.6430 58.1970 25.3820 O.2 269 THR269 -0.2777 4396 CB 14.2810 61.5210 25.1890 C.3 269 THR269 0.0763 4397 HB 15.1430 61.5230 24.5160 H 269 THR269 0.0611 4398 OG1 14.3040 62.6820 26.0070 O.3 269 THR269 -0.3900 4399 HG1 14.2170 63.4670 25.4720 H 269 THR269 0.2098 4400 CG2 12.9740 61.4650 24.3800 C.3 269 THR269 -0.0370 4401 HG21 12.8770 62.3150 23.7060 H 269 THR269 0.0255 4402 HG22 12.1060 61.4610 25.0380 H 269 THR269 0.0255 4403 HG23 12.9300 60.5630 23.7710 H 269 THR269 0.0255 4404 N 15.8080 58.6970 24.9870 N.am 270 PHE270 -0.2453 4405 H 16.5280 59.4190 25.0080 H 270 PHE270 0.1312 4406 CA 16.1370 57.3810 24.4490 C.3 270 PHE270 0.0918 4407 HA 15.4880 57.2090 23.5920 H 270 PHE270 0.0560 4408 C 15.8360 56.2900 25.4720 C.2 270 PHE270 0.2190 4409 O 15.1990 55.2900 25.1440 O.2 270 PHE270 -0.2778 4410 CB 17.6080 57.3840 24.0080 C.3 270 PHE270 -0.0036 4411 HB1 18.2560 57.6690 24.8360 H 270 PHE270 0.0333 4412 HB2 17.7560 58.1400 23.2360 H 270 PHE270 0.0333 4413 CG 18.0470 56.0500 23.4670 C.ar 270 PHE270 -0.0454 4414 CD1 17.6400 55.6350 22.2030 C.ar 270 PHE270 -0.0585 4415 HD1 17.0140 56.2760 21.6000 H 270 PHE270 0.0620 4416 CD2 18.8410 55.2040 24.2350 C.ar 270 PHE270 -0.0585 4417 HD2 19.1560 55.5080 25.2230 H 270 PHE270 0.0620 4418 CE1 18.0190 54.3920 21.7140 C.ar 270 PHE270 -0.0615 4419 HE1 17.6910 54.0760 20.7350 H 270 PHE270 0.0618 4420 CE2 19.2230 53.9610 23.7480 C.ar 270 PHE270 -0.0615 4421 HE2 19.8360 53.3100 24.3530 H 270 PHE270 0.0618 4422 CZ 18.8110 53.5540 22.4860 C.ar 270 PHE270 -0.0617 4423 HZ 19.1020 52.5850 22.1080 H 270 PHE270 0.0618 4424 N 16.2800 56.4940 26.7120 N.am 271 PHE271 -0.2453 4425 H 16.8140 57.3380 26.9180 H 271 PHE271 0.1312 4426 CA 16.0180 55.5350 27.7820 C.3 271 PHE271 0.0917 4427 HA 16.4000 54.5710 27.4430 H 271 PHE271 0.0560 4428 C 14.5180 55.3790 28.0080 C.2 271 PHE271 0.2190 4429 O 13.9980 54.2640 28.0050 O.2 271 PHE271 -0.2778 4430 CB 16.7480 55.9590 29.0720 C.3 271 PHE271 -0.0036 4431 HB1 16.5760 57.0120 29.2640 H 271 PHE271 0.0333 4432 HB2 17.8260 55.8490 28.9410 H 271 PHE271 0.0333 4433 CG 16.3120 55.1860 30.2920 C.ar 271 PHE271 -0.0454 4434 CD1 16.7060 53.8650 30.4760 C.ar 271 PHE271 -0.0585 4435 HD1 17.3430 53.3860 29.7460 H 271 PHE271 0.0620 4436 CD2 15.4760 55.7770 31.2380 C.ar 271 PHE271 -0.0585 4437 HD2 15.1510 56.7980 31.1080 H 271 PHE271 0.0620 4438 CE1 16.2720 53.1460 31.5830 C.ar 271 PHE271 -0.0615 4439 HE1 16.5760 52.1180 31.7120 H 271 PHE271 0.0618 4440 CE2 15.0440 55.0630 32.3490 C.ar 271 PHE271 -0.0615 4441 HE2 14.3950 55.5300 33.0740 H 271 PHE271 0.0618 4442 CZ 15.4410 53.7450 32.5200 C.ar 271 PHE271 -0.0617 4443 HZ 15.0980 53.1820 33.3760 H 271 PHE271 0.0618 4444 N 13.8340 56.5060 28.1910 N.am 272 ILE272 -0.2454 4445 H 14.3350 57.3940 28.1640 H 272 ILE272 0.1312 4446 CA 12.3940 56.5190 28.4290 C.3 272 ILE272 0.0903 4447 HA 12.2330 55.8950 29.3100 H 272 ILE272 0.0560 4448 C 11.6410 55.8580 27.2840 C.2 272 ILE272 0.2189 4449 O 10.6590 55.1480 27.5000 O.2 272 ILE272 -0.2778 4450 CB 11.8910 57.9520 28.7280 C.3 272 ILE272 -0.0201 4451 HB 12.1830 58.5840 27.8880 H 272 ILE272 0.0318 4452 CG1 12.5360 58.5200 30.0100 C.3 272 ILE272 -0.0514 4453 HG11 13.5820 58.2250 30.0730 H 272 ILE272 0.0266 4454 HG12 12.0620 58.0770 30.8870 H 272 ILE272 0.0266 4455 CG2 10.3550 57.9950 28.8630 C.3 272 ILE272 -0.0605 4456 HG21 10.0070 58.9720 29.1920 H 272 ILE272 0.0233 4457 HG22 10.0080 57.2670 29.5960 H 272 ILE272 0.0233 4458 HG23 9.8610 57.7770 27.9160 H 272 ILE272 0.0233 4459 CD1 12.4690 60.0510 30.1000 C.3 272 ILE272 -0.0650 4460 HD11 12.9140 60.3990 31.0320 H 272 ILE272 0.0230 4461 HD12 11.4430 60.4160 30.0720 H 272 ILE272 0.0230 4462 HD13 13.0130 60.5140 29.2760 H 272 ILE272 0.0230 4463 N 12.1100 56.0880 26.0620 N.am 273 ASP273 -0.2451 4464 H 12.9150 56.7020 25.9410 H 273 ASP273 0.1312 4465 CA 11.4920 55.4770 24.8910 C.3 273 ASP273 0.0974 4466 HA 10.4150 55.5990 24.9950 H 273 ASP273 0.0563 4467 C 11.7260 53.9710 24.8810 C.2 273 ASP273 0.2192 4468 O 10.8570 53.2050 24.4720 O.2 273 ASP273 -0.2778 4469 CB 11.9730 56.1460 23.5940 C.3 273 ASP273 0.0576 4470 HB1 11.9060 55.4500 22.7580 H 273 ASP273 0.0394 4471 HB2 13.0180 56.4490 23.6660 H 273 ASP273 0.0394 4472 CG 11.0880 57.3580 23.2300 C.2 273 ASP273 0.1780 4473 OD1 9.9600 57.1780 22.7920 O.co2 273 ASP273 -0.6478 4474 OD2 11.4960 58.5010 23.3550 O.co2 273 ASP273 -0.6478 4475 N 12.9050 53.5540 25.3300 N.am 274 CYS274 -0.2449 4476 H 13.6230 54.2400 25.5650 H 274 CYS274 0.1312 4477 CA 13.1910 52.1370 25.4930 C.3 274 CYS274 0.0965 4478 HA 12.9820 51.6570 24.5350 H 274 CYS274 0.0565 4479 C 12.2340 51.5510 26.5230 C.2 274 CYS274 0.2195 4480 O 11.6440 50.4890 26.3060 O.2 274 CYS274 -0.2778 4481 CB 14.6630 51.9060 25.8610 C.3 274 CYS274 0.0147 4482 HB1 14.8310 50.8520 26.0840 H 274 CYS274 0.0394 4483 HB2 14.9280 52.4570 26.7610 H 274 CYS274 0.0394 4484 SG 15.7940 52.3880 24.5290 S.3 274 CYS274 -0.1762 4485 HG 17.0430 52.4540 24.9950 H 274 CYS274 0.1017 4486 N 12.0610 52.2610 27.6340 N.am 275 MET275 -0.2456 4487 H 12.5890 53.1240 27.7620 H 275 MET275 0.1312 4488 CA 11.1320 51.8320 28.6740 C.3 275 MET275 0.0885 4489 HA 11.4070 50.8040 28.9120 H 275 MET275 0.0557 4490 C 9.6990 51.7660 28.1590 C.2 275 MET275 0.2187 4491 O 8.9200 50.9180 28.5890 O.2 275 MET275 -0.2778 4492 CB 11.2540 52.6870 29.9440 C.3 275 MET275 -0.0199 4493 HB1 10.5340 52.3190 30.6750 H 275 MET275 0.0293 4494 HB2 10.9770 53.7200 29.7340 H 275 MET275 0.0293 4495 CG 12.6520 52.6460 30.5820 C.3 275 MET275 -0.0047 4496 HG1 12.6310 53.0710 31.5840 H 275 MET275 0.0377 4497 HG2 13.3420 53.2760 30.0260 H 275 MET275 0.0377 4498 SD 13.3590 50.9840 30.6360 S.3 275 MET275 -0.1641 4499 CE 12.8320 50.4710 32.2770 C.3 275 MET275 -0.0181 4500 HE1 12.8490 49.3840 32.3480 H 275 MET275 0.0340 4501 HE2 11.8110 50.8030 32.4660 H 275 MET275 0.0340 4502 HE3 13.4920 50.8900 33.0360 H 275 MET275 0.0340 4503 N 9.3540 52.6650 27.2420 N.am 276 ALA276 -0.2459 4504 H 10.0410 53.3540 26.9360 H 276 ALA276 0.1312 4505 CA 8.0160 52.6880 26.6650 C.3 276 ALA276 0.0850 4506 HA 7.3200 52.6170 27.4970 H 276 ALA276 0.0554 4507 C 7.7820 51.4750 25.7720 C.2 276 ALA276 0.2184 4508 O 6.7260 50.8440 25.8300 O.2 276 ALA276 -0.2778 4509 CB 7.8110 54.0040 25.9090 C.3 276 ALA276 -0.0411 4510 HB1 6.7920 54.0850 25.5280 H 276 ALA276 0.0249 4511 HB2 8.4960 54.0920 25.0660 H 276 ALA276 0.0249 4512 HB3 7.9870 54.8500 26.5720 H 276 ALA276 0.0249 4513 N 8.7760 51.1600 24.9460 N.am 277 ALA277 -0.2459 4514 H 9.6180 51.7360 24.9470 H 277 ALA277 0.1312 4515 CA 8.7050 50.0200 24.0380 C.3 277 ALA277 0.0850 4516 HA 7.7900 50.1190 23.4520 H 277 ALA277 0.0554 4517 C 8.6540 48.7030 24.8110 C.2 277 ALA277 0.2184 4518 O 8.1610 47.6940 24.3060 O.2 277 ALA277 -0.2778 4519 CB 9.9390 50.0530 23.1300 C.3 277 ALA277 -0.0411 4520 HB1 9.9250 49.2350 22.4090 H 277 ALA277 0.0249 4521 HB2 10.8600 49.9760 23.7100 H 277 ALA277 0.0249 4522 HB3 9.9820 50.9880 22.5710 H 277 ALA277 0.0249 4523 N 9.1730 48.7180 26.0350 N.am 278 LEU278 -0.2457 4524 H 9.6230 49.5680 26.3740 H 278 LEU278 0.1312 4525 CA 9.1150 47.5480 26.9050 C.3 278 LEU278 0.0880 4526 HA 9.1820 46.6440 26.2960 H 278 LEU278 0.0557 4527 C 7.7800 47.5150 27.6530 C.2 278 LEU278 0.2185 4528 O 7.3930 46.4920 28.2220 O.2 278 LEU278 -0.2778 4529 CB 10.2870 47.6200 27.9080 C.3 278 LEU278 -0.0266 4530 HB1 9.9750 47.2350 28.8810 H 278 LEU278 0.0287 4531 HB2 10.5600 48.6610 28.0860 H 278 LEU278 0.0287 4532 CG 11.5260 46.8120 27.4830 C.3 278 LEU278 -0.0449 4533 HG 11.2220 45.7700 27.3850 H 278 LEU278 0.0296 4534 CD1 12.1040 47.2520 26.1310 C.3 278 LEU278 -0.0626 4535 HD11 12.9270 46.6020 25.8340 H 278 LEU278 0.0232 4536 HD12 12.4950 48.2660 26.1770 H 278 LEU278 0.0232 4537 HD13 11.3580 47.2120 25.3370 H 278 LEU278 0.0232 4538 CD2 12.6060 46.8810 28.5720 C.3 278 LEU278 -0.0626 4539 HD21 13.4710 46.2740 28.3060 H 278 LEU278 0.0232 4540 HD22 12.2260 46.5190 29.5270 H 278 LEU278 0.0232 4541 HD23 12.9500 47.9060 28.7180 H 278 LEU278 0.0232 4542 N 7.0720 48.6390 27.6330 N.am 279 GLY279 -0.2485 4543 H 7.4650 49.4670 27.1840 H 279 GLY279 0.1309 4544 CA 5.7530 48.7180 28.2340 C.3 279 GLY279 0.0765 4545 HA1 5.2330 47.7680 28.1020 H 279 GLY279 0.0521 4546 HA2 5.2080 49.4850 27.6830 H 279 GLY279 0.0521 4547 C 5.8080 49.1010 29.7000 C.2 279 GLY279 0.2155 4548 O 5.0080 48.6360 30.5190 O.2 279 GLY279 -0.2781 4549 N 6.7630 49.9630 30.0280 N.am 280 LEU280 -0.2459 4550 H 7.3510 50.3560 29.2930 H 280 LEU280 0.1312 4551 CA 6.9920 50.3620 31.4110 C.3 280 LEU280 0.0880 4552 HA 6.2900 49.8490 32.0640 H 280 LEU280 0.0557 4553 C 6.7450 51.8590 31.6160 C.2 280 LEU280 0.2187 4554 O 6.5100 52.3100 32.7380 O.2 280 LEU280 -0.2778 4555 CB 8.4350 50.0060 31.8030 C.3 280 LEU280 -0.0266 4556 HB1 8.6710 50.4330 32.7780 H 280 LEU280 0.0287 4557 HB2 9.1200 50.4760 31.0970 H 280 LEU280 0.0287 4558 CG 8.7070 48.4920 31.8470 C.3 280 LEU280 -0.0449 4559 HG 8.3550 48.0410 30.9180 H 280 LEU280 0.0296 4560 CD1 10.2130 48.2190 31.9310 C.3 280 LEU280 -0.0626 4561 HD11 10.4210 47.1500 31.9110 H 280 LEU280 0.0232 4562 HD12 10.6330 48.6250 32.8520 H 280 LEU280 0.0232 4563 HD13 10.7410 48.6710 31.0900 H 280 LEU280 0.0232 4564 CD2 7.9780 47.8240 33.0220 C.3 280 LEU280 -0.0626 4565 HD21 8.2010 46.7570 33.0640 H 280 LEU280 0.0232 4566 HD22 6.8980 47.9290 32.9400 H 280 LEU280 0.0232 4567 HD23 8.2830 48.2650 33.9720 H 280 LEU280 0.0232 4568 N 6.7790 52.6140 30.5210 N.am 281 ALA281 -0.2459 4569 H 7.1130 52.2010 29.6500 H 281 ALA281 0.1312 4570 CA 6.3560 54.0130 30.5200 C.3 281 ALA281 0.0850 4571 HA 5.9160 54.2440 31.4850 H 281 ALA281 0.0554 4572 C 5.2960 54.2020 29.4380 C.2 281 ALA281 0.2184 4573 O 5.4470 53.6590 28.3420 O.2 281 ALA281 -0.2778 4574 CB 7.5800 54.8940 30.2420 C.3 281 ALA281 -0.0411 4575 HB1 7.3080 55.9480 30.1890 H 281 ALA281 0.0249 4576 HB2 8.0590 54.6240 29.3000 H 281 ALA281 0.0249 4577 HB3 8.3240 54.7820 31.0320 H 281 ALA281 0.0249 4578 N 4.2300 54.9570 29.7140 N.am 282 TYR282 -0.2453 4579 H 4.1820 55.4940 30.5790 H 282 TYR282 0.1312 4580 CA 3.1310 54.9960 28.7460 C.3 282 TYR282 0.0917 4581 HA 3.5370 54.7270 27.7690 H 282 TYR282 0.0560 4582 C 2.4910 56.3510 28.4030 C.2 282 TYR282 0.2190 4583 O 2.0770 56.5490 27.2560 O.2 282 TYR282 -0.2778 4584 CB 2.1070 53.8830 29.0790 C.3 282 TYR282 -0.0036 4585 HB1 2.5010 52.9330 28.7150 H 282 TYR282 0.0333 4586 HB2 1.1740 54.0360 28.5340 H 282 TYR282 0.0333 4587 CG 1.8190 53.7030 30.5520 C.ar 282 TYR282 -0.0453 4588 CD1 2.7070 53.0190 31.3820 C.ar 282 TYR282 -0.0561 4589 HD1 3.6220 52.6110 30.9790 H 282 TYR282 0.0621 4590 CD2 0.6230 54.1570 31.0930 C.ar 282 TYR282 -0.0561 4591 HD2 -0.0940 54.6600 30.4590 H 282 TYR282 0.0621 4592 CE1 2.4470 52.8800 32.7380 C.ar 282 TYR282 -0.0317 4593 HE1 3.1570 52.3870 33.3800 H 282 TYR282 0.0643 4594 CE2 0.3440 53.9880 32.4440 C.ar 282 TYR282 -0.0317 4595 HE2 -0.5860 54.3570 32.8460 H 282 TYR282 0.0643 4596 CZ 1.2670 53.3690 33.2730 C.ar 282 TYR282 0.0726 4597 OH 1.0090 53.2170 34.6210 O.3 282 TYR282 -0.3598 4598 HH 0.0920 53.4000 34.7810 H 282 TYR282 0.2173 4599 N 2.3880 57.2750 29.3530 N.am 283 ASP283 -0.2451 4600 H 2.7810 57.1070 30.2790 H 283 ASP283 0.1312 4601 CA 1.7040 58.5380 29.0580 C.3 283 ASP283 0.0974 4602 HA 1.0230 58.4210 28.2120 H 283 ASP283 0.0563 4603 C 2.6620 59.6920 28.7920 C.2 283 ASP283 0.2192 4604 O 2.6950 60.6670 29.5400 O.2 283 ASP283 -0.2778 4605 CB 0.9120 59.0340 30.2860 C.3 283 ASP283 0.0576 4606 HB1 0.4580 60.0060 30.0850 H 283 ASP283 0.0394 4607 HB2 1.5840 59.1670 31.1320 H 283 ASP283 0.0394 4608 CG -0.2120 58.1400 30.7670 C.2 283 ASP283 0.1780 4609 OD1 -1.3740 58.5140 30.6500 O.co2 283 ASP283 -0.6478 4610 OD2 0.0570 57.0770 31.3000 O.co2 283 ASP283 -0.6478 4611 N 3.4210 59.5900 27.7090 N.am 284 ARG284 -0.2456 4612 H 3.3270 58.7700 27.1090 H 284 ARG284 0.1312 4613 CA 4.3850 60.6240 27.3590 C.3 284 ARG284 0.0879 4614 HA 4.9240 60.9080 28.2640 H 284 ARG284 0.0557 4615 C 3.7020 61.8550 26.7800 C.2 284 ARG284 0.2187 4616 O 2.9610 61.7550 25.8040 O.2 284 ARG284 -0.2778 4617 CB 5.3470 59.9800 26.3470 C.3 284 ARG284 -0.0258 4618 HB1 6.0580 60.7290 26.0140 H 284 ARG284 0.0286 4619 HB2 4.7980 59.6920 25.4500 H 284 ARG284 0.0286 4620 CG 6.1180 58.7680 26.9230 C.3 284 ARG284 -0.0154 4621 HG1 6.0100 58.7350 28.0080 H 284 ARG284 0.0299 4622 HG2 7.1820 58.9080 26.7570 H 284 ARG284 0.0299 4623 CD 5.7130 57.4040 26.3340 C.3 284 ARG284 0.1045 4624 HD1 4.6480 57.2150 26.4910 H 284 ARG284 0.0711 4625 HD2 6.2530 56.5780 26.8040 H 284 ARG284 0.0711 4626 NE 5.9450 57.3500 24.8880 N.pl3 284 ARG284 -0.4450 4627 HE 5.1610 57.3860 24.2700 H 284 ARG284 0.3153 4628 CZ 7.1390 57.2560 24.3040 C.cat 284 ARG284 0.5062 4629 NH1 7.2270 57.2380 23.0070 N.pl3 284 ARG284 -0.4573 4630 HH11 8.1570 57.1850 22.6230 H 284 ARG284 0.3114 4631 HH12 6.4300 57.2750 22.4150 H 284 ARG284 0.3114 4632 NH2 8.2500 57.1790 24.9790 N.pl3 284 ARG284 -0.4573 4633 HH21 9.1040 57.1510 24.4430 H 284 ARG284 0.3114 4634 HH22 8.2650 57.1490 25.9700 H 284 ARG284 0.3114 4635 N 3.9380 63.0130 27.3880 N.am 285 LYS285 -0.2457 4636 H 4.4290 63.0280 28.2820 H 285 LYS285 0.1312 4637 CA 3.4980 64.2590 26.7820 C.3 285 LYS285 0.0878 4638 HA 2.5490 64.1010 26.2640 H 285 LYS285 0.0557 4639 C 4.5590 64.6770 25.7820 C.2 285 LYS285 0.2187 4640 O 5.7240 64.8370 26.1430 O.2 285 LYS285 -0.2778 4641 CB 3.3240 65.2810 27.9010 C.3 285 LYS285 -0.0289 4642 HB1 3.1660 66.2830 27.4990 H 285 LYS285 0.0285 4643 HB2 4.2550 65.2970 28.4580 H 285 LYS285 0.0285 4644 CG 2.1810 64.9020 28.8500 C.3 285 LYS285 -0.0496 4645 HG1 2.3060 63.8680 29.1680 H 285 LYS285 0.0266 4646 HG2 1.2310 64.9380 28.3140 H 285 LYS285 0.0266 4647 CD 2.1160 65.8070 30.0850 C.3 285 LYS285 -0.0278 4648 HD1 1.7740 66.7980 29.7840 H 285 LYS285 0.0282 4649 HD2 3.1150 65.9420 30.5010 H 285 LYS285 0.0282 4650 CE 1.1880 65.2400 31.1620 C.3 285 LYS285 0.1103 4651 HE1 0.1960 65.0460 30.7470 H 285 LYS285 0.0559 4652 HE2 1.0680 65.9540 31.9800 H 285 LYS285 0.0559 4653 NZ 1.7090 63.9930 31.7220 N.4 285 LYS285 -0.0749 4654 HZ1 1.0250 63.5760 32.3820 H 285 LYS285 0.2742 4655 HZ2 2.5950 64.1810 32.2350 H 285 LYS285 0.2742 4656 HZ3 1.9280 63.3190 30.9570 H 285 LYS285 0.2742 4657 N 4.1790 64.8300 24.5210 N.am 286 LYS286 -0.2457 4658 H 3.2600 64.5070 24.2180 H 286 LYS286 0.1312 4659 CA 5.0810 65.4610 23.5750 C.3 286 LYS286 0.0878 4660 HA 5.9080 65.8750 24.1500 H 286 LYS286 0.0557 4661 C 4.3830 66.6870 23.0340 C.2 286 LYS286 0.2187 4662 O 3.2600 66.6050 22.5410 O.2 286 LYS286 -0.2778 4663 CB 5.7070 64.5720 22.4860 C.3 286 LYS286 -0.0289 4664 HB1 4.9170 64.1690 21.8520 H 286 LYS286 0.0285 4665 HB2 6.1900 63.7170 22.9570 H 286 LYS286 0.0285 4666 CG 6.7400 65.3420 21.6120 C.3 286 LYS286 -0.0496 4667 HG1 6.2270 66.1740 21.1290 H 286 LYS286 0.0266 4668 HG2 7.0650 64.7000 20.7930 H 286 LYS286 0.0266 4669 CD 7.9960 65.8690 22.3620 C.3 286 LYS286 -0.0278 4670 HD1 8.8070 65.1460 22.2690 H 286 LYS286 0.0282 4671 HD2 7.8070 65.8990 23.4290 H 286 LYS286 0.0282 4672 CE 8.4890 67.2630 21.8910 C.3 286 LYS286 0.1103 4673 HE1 7.6440 67.8820 21.5860 H 286 LYS286 0.0559 4674 HE2 9.1360 67.1560 21.0200 H 286 LYS286 0.0559 4675 NZ 9.2140 68.0360 22.9060 N.4 286 LYS286 -0.0749 4676 HZ1 9.7510 68.8310 22.5150 H 286 LYS286 0.2742 4677 HZ2 9.8140 67.4330 23.5080 H 286 LYS286 0.2742 4678 HZ3 8.5370 68.4270 23.5940 H 286 LYS286 0.2742 4679 N 5.0370 67.8320 23.1640 N.am 287 VAL287 -0.2454 4680 H 5.9790 67.8370 23.5550 H 287 VAL287 0.1312 4681 CA 4.4210 69.0760 22.7530 C.3 287 VAL287 0.0901 4682 HA 3.3900 69.0750 23.1140 H 287 VAL287 0.0560 4683 C 4.4220 69.1610 21.2400 C.2 287 VAL287 0.2190 4684 O 5.4370 68.8840 20.5910 O.2 287 VAL287 -0.2778 4685 CB 5.1960 70.2360 23.4070 C.3 287 VAL287 -0.0227 4686 HB 6.2490 70.1450 23.1320 H 287 VAL287 0.0315 4687 CG1 4.7060 71.6140 22.9410 C.3 287 VAL287 -0.0608 4688 HG11 5.3070 72.4080 23.3810 H 287 VAL287 0.0233 4689 HG12 3.6670 71.7800 23.2240 H 287 VAL287 0.0233 4690 HG13 4.7790 71.7200 21.8620 H 287 VAL287 0.0233 4691 CG2 5.0990 70.1530 24.9360 C.3 287 VAL287 -0.0608 4692 HG21 5.6300 70.9800 25.4000 H 287 VAL287 0.0233 4693 HG22 5.5230 69.2320 25.3340 H 287 VAL287 0.0233 4694 HG23 4.0590 70.1950 25.2570 H 287 VAL287 0.0233 4695 N 3.2570 69.4970 20.6910 N.am 288 SER288 -0.2436 4696 H 2.4480 69.6290 21.2970 H 288 SER288 0.1312 4697 CA 3.0970 69.6830 19.2530 C.3 288 SER288 0.1109 4698 HA 3.2400 68.7050 18.7920 H 288 SER288 0.0580 4699 C 4.1220 70.6540 18.7250 C.2 288 SER288 0.2209 4700 O 4.4110 71.6630 19.3670 O.2 288 SER288 -0.2777 4701 CB 1.6880 70.2180 18.9630 C.3 288 SER288 0.0681 4702 HB1 1.5640 70.3680 17.8850 H 288 SER288 0.0577 4703 HB2 1.5530 71.1850 19.4620 H 288 SER288 0.0577 4704 OG 0.7230 69.2870 19.4310 O.3 288 SER288 -0.3930 4705 HG -0.1690 69.5950 19.2810 H 288 SER288 0.2095 4706 N 4.6540 70.3680 17.5420 N.am 289 LYS289 -0.2456 4707 H 4.4290 69.4830 17.0880 H 289 LYS289 0.1312 4708 CA 5.5540 71.3050 16.8880 C.3 289 LYS289 0.0878 4709 HA 6.2780 71.5600 17.6660 H 289 LYS289 0.0557 4710 C 4.7950 72.5930 16.6190 C.2 289 LYS289 0.2187 4711 O 5.3910 73.6460 16.4080 O.2 289 LYS289 -0.2778 4712 CB 6.3430 70.7570 15.6820 C.3 289 LYS289 -0.0289 4713 HB1 5.9340 71.1420 14.7470 H 289 LYS289 0.0285 4714 HB2 6.2500 69.6720 15.6330 H 289 LYS289 0.0285 4715 CG 7.8360 71.1310 15.8150 C.3 289 LYS289 -0.0496 4716 HG1 8.2670 70.5290 16.6160 H 289 LYS289 0.0266 4717 HG2 7.9200 72.1640 16.1530 H 289 LYS289 0.0266 4718 CD 8.6820 70.9650 14.5420 C.3 289 LYS289 -0.0278 4719 HD1 8.3420 71.6640 13.7770 H 289 LYS289 0.0282 4720 HD2 8.5200 69.9650 14.1390 H 289 LYS289 0.0282 4721 CE 10.1900 71.1550 14.8050 C.3 289 LYS289 0.1103 4722 HE1 10.7720 70.9220 13.9120 H 289 LYS289 0.0559 4723 HE2 10.5140 70.4560 15.5790 H 289 LYS289 0.0559 4724 NZ 10.5780 72.4930 15.2510 N.4 289 LYS289 -0.0749 4725 HZ1 11.5410 72.4660 15.6550 H 289 LYS289 0.2742 4726 HZ2 10.0060 72.7670 16.0800 H 289 LYS289 0.2742 4727 HZ3 10.4990 73.2020 14.5040 H 289 LYS289 0.2742 4728 N 3.4690 72.4860 16.6440 N.am 290 ALA290 -0.2459 4729 H 3.0570 71.5570 16.7370 H 290 ALA290 0.1312 4730 CA 2.5800 73.6320 16.5450 C.3 290 ALA290 0.0850 4731 HA 2.7830 74.1040 15.5820 H 290 ALA290 0.0554 4732 C 2.8750 74.6470 17.6370 C.2 290 ALA290 0.2184 4733 O 3.1840 75.8000 17.3500 O.2 290 ALA290 -0.2778 4734 CB 1.1230 73.1570 16.6040 C.3 290 ALA290 -0.0411 4735 HB1 0.4310 73.9910 16.4830 H 290 ALA290 0.0249 4736 HB2 0.8950 72.6700 17.5520 H 290 ALA290 0.0249 4737 HB3 0.9180 72.4410 15.8080 H 290 ALA290 0.0249 4738 N 2.7810 74.2060 18.8880 N.am 291 ALA291 -0.2459 4739 H 2.5160 73.2340 19.0500 H 291 ALA291 0.1312 4740 CA 3.0440 75.0670 20.0360 C.3 291 ALA291 0.0850 4741 HA 2.3940 75.9360 19.9450 H 291 ALA291 0.0554 4742 C 4.5000 75.5380 20.0720 C.2 291 ALA291 0.2184 4743 O 4.7800 76.6690 20.4730 O.2 291 ALA291 -0.2778 4744 CB 2.7070 74.2900 21.3120 C.3 291 ALA291 -0.0411 4745 HB1 2.8880 74.8900 22.2060 H 291 ALA291 0.0249 4746 HB2 3.3060 73.3840 21.3860 H 291 ALA291 0.0249 4747 HB3 1.6590 73.9920 21.3190 H 291 ALA291 0.0249 4748 N 5.4230 74.6760 19.6540 N.am 292 ILE292 -0.2454 4749 H 5.1390 73.7440 19.3520 H 292 ILE292 0.1312 4750 CA 6.8360 75.0430 19.6210 C.3 292 ILE292 0.0903 4751 HA 7.0360 75.5400 20.5720 H 292 ILE292 0.0560 4752 C 7.1130 76.0770 18.5240 C.2 292 ILE292 0.2189 4753 O 7.9460 76.9730 18.6990 O.2 292 ILE292 -0.2778 4754 CB 7.7590 73.8090 19.5420 C.3 292 ILE292 -0.0201 4755 HB 7.6730 73.3790 18.5430 H 292 ILE292 0.0318 4756 CG1 7.3710 72.7160 20.5600 C.3 292 ILE292 -0.0514 4757 HG11 6.3000 72.5470 20.5370 H 292 ILE292 0.0266 4758 HG12 7.5960 73.0460 21.5750 H 292 ILE292 0.0266 4759 CG2 9.2130 74.2560 19.7710 C.3 292 ILE292 -0.0605 4760 HG21 9.8930 73.4150 19.8830 H 292 ILE292 0.0233 4761 HG22 9.3050 74.8560 20.6770 H 292 ILE292 0.0233 4762 HG23 9.5710 74.8510 18.9320 H 292 ILE292 0.0233 4763 CD1 8.0350 71.3610 20.2830 C.3 292 ILE292 -0.0650 4764 HD11 7.6210 70.5870 20.9290 H 292 ILE292 0.0230 4765 HD12 9.1090 71.4000 20.4540 H 292 ILE292 0.0230 4766 HD13 7.8740 71.0470 19.2520 H 292 ILE292 0.0230 4767 N 6.4120 75.9500 17.3960 N.am 293 LEU293 -0.2456 4768 H 5.7930 75.1470 17.2830 H 293 LEU293 0.1312 4769 CA 6.5080 76.9350 16.3140 C.3 293 LEU293 0.0880 4770 HA 7.5510 77.2430 16.2550 H 293 LEU293 0.0557 4771 C 5.7180 78.1890 16.6690 C.2 293 LEU293 0.2187 4772 O 6.1660 79.3080 16.4170 O.2 293 LEU293 -0.2778 4773 CB 6.0470 76.3670 14.9530 C.3 293 LEU293 -0.0266 4774 HB1 5.5860 77.1590 14.3600 H 293 LEU293 0.0287 4775 HB2 5.2500 75.6410 15.1030 H 293 LEU293 0.0287 4776 CG 7.1730 75.7740 14.0800 C.3 293 LEU293 -0.0449 4777 HG 6.6990 75.4260 13.1610 H 293 LEU293 0.0296 4778 CD1 8.2020 76.8340 13.6600 C.3 293 LEU293 -0.0626 4779 HD11 8.8860 76.4360 12.9100 H 293 LEU293 0.0232 4780 HD12 8.8070 77.1730 14.5010 H 293 LEU293 0.0232 4781 HD13 7.7130 77.7070 13.2270 H 293 LEU293 0.0232 4782 CD2 7.8560 74.5560 14.7090 C.3 293 LEU293 -0.0626 4783 HD21 8.6720 74.2010 14.0810 H 293 LEU293 0.0232 4784 HD22 7.1480 73.7360 14.8070 H 293 LEU293 0.0232 4785 HD23 8.2650 74.7810 15.6950 H 293 LEU293 0.0232 4786 N 4.5470 77.9990 17.2690 N.am 294 ALA294 -0.2459 4787 H 4.1950 77.0500 17.3940 H 294 ALA294 0.1312 4788 CA 3.7580 79.1240 17.7510 C.3 294 ALA294 0.0850 4789 HA 3.5850 79.7840 16.8990 H 294 ALA294 0.0554 4790 C 4.5280 79.8960 18.8190 C.2 294 ALA294 0.2184 4791 O 4.1820 81.0360 19.1340 O.2 294 ALA294 -0.2778 4792 CB 2.4270 78.6180 18.3120 C.3 294 ALA294 -0.0411 4793 HB1 1.7890 79.4440 18.6260 H 294 ALA294 0.0249 4794 HB2 2.5860 77.9710 19.1730 H 294 ALA294 0.0249 4795 HB3 1.8800 78.0470 17.5610 H 294 ALA294 0.0249 4796 N 5.5680 79.2800 19.3770 N.am 295 ARG295 -0.2457 4797 H 5.7500 78.2990 19.1660 H 295 ARG295 0.1312 4798 CA 6.4470 80.0000 20.2870 C.3 295 ARG295 0.0879 4799 HA 6.0580 81.0070 20.4430 H 295 ARG295 0.0557 4800 C 7.8680 80.1810 19.7420 C.2 295 ARG295 0.2187 4801 O 8.8410 79.6610 20.3010 O.2 295 ARG295 -0.2778 4802 CB 6.4750 79.2990 21.6640 C.3 295 ARG295 -0.0258 4803 HB1 7.0130 78.3520 21.5880 H 295 ARG295 0.0286 4804 HB2 5.4540 79.0350 21.9410 H 295 ARG295 0.0286 4805 CG 7.0800 80.1770 22.7860 C.3 295 ARG295 -0.0154 4806 HG1 6.4970 81.0950 22.8710 H 295 ARG295 0.0299 4807 HG2 8.0900 80.4850 22.5220 H 295 ARG295 0.0299 4808 CD 7.1180 79.4780 24.1540 C.3 295 ARG295 0.1045 4809 HD1 7.8140 78.6350 24.1400 H 295 ARG295 0.0711 4810 HD2 6.1230 79.1050 24.4060 H 295 ARG295 0.0711 4811 NE 7.5620 80.4070 25.2040 N.pl3 295 ARG295 -0.4450 4812 HE 8.0540 81.2560 25.0020 H 295 ARG295 0.3153 4813 CZ 7.3720 80.2120 26.5090 C.cat 295 ARG295 0.5062 4814 NH1 6.7490 79.1530 26.9570 N.pl3 295 ARG295 -0.4573 4815 HH11 6.6110 79.0400 27.9370 H 295 ARG295 0.3114 4816 HH12 6.4230 78.4620 26.3200 H 295 ARG295 0.3114 4817 NH2 7.8080 81.0860 27.3690 N.pl3 295 ARG295 -0.4573 4818 HH21 7.7010 80.9580 28.3490 H 295 ARG295 0.3114 4819 HH22 8.2770 81.9240 27.0660 H 295 ARG295 0.3114 4820 N 7.9860 80.9320 18.6510 N.am 296 ILE296 -0.2454 4821 H 7.1960 81.0270 18.0120 H 296 ILE296 0.1312 4822 CA 9.2430 81.6240 18.3610 C.3 296 ILE296 0.0903 4823 HA 10.0700 81.1340 18.8770 H 296 ILE296 0.0560 4824 C 9.0000 83.0140 18.9370 C.2 296 ILE296 0.2189 4825 O 9.9090 83.8510 19.0490 O.2 296 ILE296 -0.2778 4826 CB 9.4000 81.5950 16.8200 C.3 296 ILE296 -0.0201 4827 HB 9.0790 80.6050 16.4900 H 296 ILE296 0.0318 4828 CG1 10.8570 81.7420 16.3620 C.3 296 ILE296 -0.0514 4829 HG11 11.3190 82.5950 16.8550 H 296 ILE296 0.0266 4830 HG12 10.8760 81.9600 15.2930 H 296 ILE296 0.0266 4831 CG2 8.4790 82.5910 16.0920 C.3 296 ILE296 -0.0605 4832 HG21 8.5250 82.4430 15.0130 H 296 ILE296 0.0233 4833 HG22 8.7620 83.6240 16.2920 H 296 ILE296 0.0233 4834 HG23 7.4380 82.4610 16.3910 H 296 ILE296 0.0233 4835 CD1 11.6650 80.4570 16.5920 C.3 296 ILE296 -0.0650 4836 HD11 12.6690 80.5410 16.1770 H 296 ILE296 0.0230 4837 HD12 11.1880 79.6060 16.1040 H 296 ILE296 0.0230 4838 HD13 11.7510 80.2180 17.6510 H 296 ILE296 0.0230 4839 N 7.7340 83.2290 19.2990 N.am 297 LYS297 -0.2456 4840 H 7.0650 82.4720 19.1580 H 297 LYS297 0.1312 4841 CA 7.2370 84.4760 19.8840 C.3 297 LYS297 0.0878 4842 HA 7.3330 85.2430 19.1150 H 297 LYS297 0.0557 4843 C 8.0210 84.9210 21.1290 C.2 297 LYS297 0.2186 4844 O 8.0420 86.1110 21.4700 O.2 297 LYS297 -0.2778 4845 CB 5.7590 84.2110 20.2190 C.3 297 LYS297 -0.0289 4846 HB1 5.6920 83.4340 20.9820 H 297 LYS297 0.0285 4847 HB2 5.2800 83.7930 19.3320 H 297 LYS297 0.0285 4848 CG 4.9580 85.4410 20.6670 C.3 297 LYS297 -0.0496 4849 HG1 5.0620 86.2320 19.9230 H 297 LYS297 0.0266 4850 HG2 5.3670 85.8320 21.6000 H 297 LYS297 0.0266 4851 CD 3.4720 85.0940 20.8530 C.3 297 LYS297 -0.0278 4852 HD1 3.3810 84.3010 21.5970 H 297 LYS297 0.0282 4853 HD2 3.0850 84.6830 19.9190 H 297 LYS297 0.0282 4854 CE 2.6190 86.2970 21.2730 C.3 297 LYS297 0.1103 4855 HE1 2.7100 87.1010 20.5390 H 297 LYS297 0.0559 4856 HE2 2.9650 86.6920 22.2310 H 297 LYS297 0.0559 4857 NZ 1.1990 85.9550 21.4020 N.4 297 LYS297 -0.0749 4858 HZ1 0.6540 86.7950 21.6860 H 297 LYS297 0.2742 4859 HZ2 1.0790 85.2110 22.1190 H 297 LYS297 0.2742 4860 HZ3 0.8370 85.6060 20.4900 H 297 LYS297 0.2742 4861 N 8.6360 83.9570 21.8140 N.am 298 ARG298 -0.2473 4862 H 8.4990 82.9880 21.5260 H 298 ARG298 0.1311 4863 CA 9.4990 84.2320 22.9620 C.3 298 ARG298 0.0700 4864 HA 9.6910 83.2460 23.3580 H 298 ARG298 0.0540 4865 C 8.7590 84.9320 24.1000 C.2 298 ARG298 0.1375 4866 H 9.1170 85.9070 24.4700 H 298 ARG298 0.1043 4867 O 7.7630 84.4110 24.6060 O.2 298 ARG298 -0.2994 4868 CB 10.7740 84.8950 22.4030 C.3 298 ARG298 -0.0274 4869 HB1 11.3160 85.3980 23.1900 H 298 ARG298 0.0285 4870 HB2 10.5040 85.6900 21.7100 H 298 ARG298 0.0285 4871 CG 11.6550 83.8520 21.6790 C.3 298 ARG298 -0.0154 4872 HG1 11.0210 83.0460 21.3060 H 298 ARG298 0.0299 4873 HG2 12.3390 83.3830 22.3810 H 298 ARG298 0.0299 4874 CD 12.4730 84.3700 20.4950 C.3 298 ARG298 0.1045 4875 HD1 13.3450 84.9380 20.8270 H 298 ARG298 0.0711 4876 HD2 11.8630 84.9970 19.8410 H 298 ARG298 0.0711 4877 NE 12.9300 83.2030 19.7370 N.pl3 298 ARG298 -0.4450 4878 HE 12.8100 82.2910 20.1350 H 298 ARG298 0.3153 4879 CZ 13.4840 83.2370 18.5330 C.cat 298 ARG298 0.5062 4880 NH1 13.6710 84.3630 17.8970 N.pl3 298 ARG298 -0.4573 4881 HH11 14.0950 84.3700 16.9950 H 298 ARG298 0.3114 4882 HH12 13.3790 85.2150 18.3200 H 298 ARG298 0.3114 4883 NH2 13.8450 82.1180 17.9720 N.pl3 298 ARG298 -0.4573 4884 HH21 14.2900 82.1090 17.0800 H 298 ARG298 0.3114 4885 HH22 13.6610 81.2530 18.4430 H 298 ARG298 0.3114 4886 ZN 12.0420 70.9640 35.3620 Zn 299 ZN299 2.0000 4887 ZN 16.2310 76.3370 35.8210 Zn 300 ZN300 2.0000 4888 O 17.3250 74.6640 36.4140 O.t3p 301 HOH302 -0.4105 4889 H1 18.2750 74.6640 36.4140 H.t3p 301 HOH302 0.2052 4890 H2 17.0790 75.5820 36.4140 H.t3p 301 HOH302 0.2052 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 9 1 6 5 7 1 7 5 6 1 8 7 8 2 9 7 15 am 10 9 12 1 11 9 10 1 12 9 11 1 13 12 13 ar 14 12 14 ar 15 15 17 1 16 15 16 1 17 17 21 1 18 17 19 1 19 17 18 1 20 19 20 2 21 19 34 am 22 21 26 1 23 21 23 1 24 21 22 1 25 23 30 1 26 23 24 1 27 23 25 1 28 26 27 1 29 26 28 1 30 26 29 1 31 30 31 1 32 30 32 1 33 30 33 1 34 34 36 1 35 34 35 1 36 36 40 1 37 36 38 1 38 36 37 1 39 38 39 2 40 38 55 am 41 40 43 1 42 40 41 1 43 40 42 1 44 43 44 ar 45 43 46 ar 46 44 48 ar 47 44 45 1 48 46 50 ar 49 46 47 1 50 48 52 ar 51 48 49 1 52 50 52 ar 53 50 51 1 54 52 53 1 55 53 54 1 56 55 57 1 57 55 56 1 58 57 61 1 59 57 59 1 60 57 58 1 61 59 60 2 62 59 67 am 63 61 64 1 64 61 62 1 65 61 63 1 66 64 65 ar 67 64 66 ar 68 67 78 1 69 67 68 1 70 68 72 1 71 68 70 1 72 68 69 1 73 70 71 2 74 70 81 am 75 72 75 1 76 72 73 1 77 72 74 1 78 75 78 1 79 75 76 1 80 75 77 1 81 78 79 1 82 78 80 1 83 81 83 1 84 81 82 1 85 83 87 1 86 83 85 1 87 83 84 1 88 85 86 2 89 85 95 am 90 87 91 1 91 87 89 1 92 87 88 1 93 89 90 1 94 91 92 1 95 91 93 1 96 91 94 1 97 95 97 1 98 95 96 1 99 97 101 1 100 97 99 1 101 97 98 1 102 99 100 2 103 99 116 am 104 101 104 1 105 101 102 1 106 101 103 1 107 104 105 ar 108 104 107 ar 109 105 109 ar 110 105 106 1 111 107 111 ar 112 107 108 1 113 109 113 ar 114 109 110 1 115 111 113 ar 116 111 112 1 117 113 114 1 118 114 115 1 119 116 118 1 120 116 117 1 121 118 122 1 122 118 120 1 123 118 119 1 124 120 121 2 125 120 126 am 126 122 123 1 127 122 124 1 128 122 125 1 129 126 128 1 130 126 127 1 131 128 132 1 132 128 130 1 133 128 129 1 134 130 131 2 135 130 138 am 136 132 135 1 137 132 133 1 138 132 134 1 139 135 136 ar 140 135 137 ar 141 138 140 1 142 138 139 1 143 140 144 1 144 140 142 1 145 140 141 1 146 142 143 2 147 142 148 am 148 144 145 1 149 144 146 1 150 144 147 1 151 148 150 1 152 148 149 1 153 150 154 1 154 150 152 1 155 150 151 1 156 152 153 2 157 152 158 am 158 154 155 1 159 154 156 1 160 154 157 1 161 158 160 1 162 158 159 1 163 160 163 1 164 160 161 1 165 160 162 1 166 163 164 2 167 163 165 am 168 165 176 1 169 165 166 1 170 166 170 1 171 166 168 1 172 166 167 1 173 168 169 2 174 168 179 am 175 170 173 1 176 170 171 1 177 170 172 1 178 173 176 1 179 173 174 1 180 173 175 1 181 176 177 1 182 176 178 1 183 179 181 1 184 179 180 1 185 181 185 1 186 181 183 1 187 181 182 1 188 183 184 2 189 183 190 am 190 185 188 1 191 185 186 1 192 185 187 1 193 188 189 1 194 190 201 1 195 190 191 1 196 191 195 1 197 191 193 1 198 191 192 1 199 193 194 2 200 193 204 am 201 195 198 1 202 195 196 1 203 195 197 1 204 198 201 1 205 198 199 1 206 198 200 1 207 201 202 1 208 201 203 1 209 204 206 1 210 204 205 1 211 206 210 1 212 206 208 1 213 206 207 1 214 208 209 2 215 208 226 am 216 210 213 1 217 210 211 1 218 210 212 1 219 213 216 1 220 213 214 1 221 213 215 1 222 216 219 1 223 216 217 1 224 216 218 1 225 219 222 1 226 219 220 1 227 219 221 1 228 222 223 1 229 222 224 1 230 222 225 1 231 226 228 1 232 226 227 1 233 228 232 1 234 228 230 1 235 228 229 1 236 230 231 2 237 230 242 am 238 232 234 1 239 232 238 1 240 232 233 1 241 234 235 1 242 234 236 1 243 234 237 1 244 238 239 1 245 238 240 1 246 238 241 1 247 242 244 1 248 242 243 1 249 244 248 1 250 244 246 1 251 244 245 1 252 246 247 2 253 246 257 am 254 248 251 1 255 248 249 1 256 248 250 1 257 251 254 1 258 251 252 1 259 251 253 1 260 254 255 ar 261 254 256 ar 262 257 259 1 263 257 258 1 264 259 263 1 265 259 261 1 266 259 260 1 267 261 262 2 268 261 278 am 269 263 266 1 270 263 264 1 271 263 265 1 272 266 267 ar 273 266 269 ar 274 267 271 ar 275 267 268 1 276 269 273 ar 277 269 270 1 278 271 275 ar 279 271 272 1 280 273 275 ar 281 273 274 1 282 275 276 1 283 276 277 1 284 278 280 1 285 278 279 1 286 280 284 1 287 280 282 1 288 280 281 1 289 282 283 2 290 282 294 am 291 284 286 1 292 284 290 1 293 284 285 1 294 286 287 1 295 286 288 1 296 286 289 1 297 290 291 1 298 290 292 1 299 290 293 1 300 294 296 1 301 294 295 1 302 296 300 1 303 296 298 1 304 296 297 1 305 298 299 2 306 298 318 am 307 300 303 1 308 300 301 1 309 300 302 1 310 303 304 ar 311 303 306 ar 312 304 307 ar 313 304 305 1 314 306 309 ar 315 306 310 ar 316 307 309 ar 317 307 308 1 318 309 312 ar 319 310 314 ar 320 310 311 1 321 312 316 ar 322 312 313 1 323 314 316 ar 324 314 315 1 325 316 317 1 326 318 320 1 327 318 319 1 328 320 324 1 329 320 322 1 330 320 321 1 331 322 323 2 332 322 342 am 333 324 327 1 334 324 325 1 335 324 326 1 336 327 330 1 337 327 328 1 338 327 329 1 339 330 333 1 340 330 331 1 341 330 332 1 342 333 335 ar 343 333 334 1 344 335 336 ar 345 335 339 ar 346 336 337 1 347 336 338 1 348 339 340 1 349 339 341 1 350 342 344 1 351 342 343 1 352 344 348 1 353 344 346 1 354 344 345 1 355 346 347 2 356 346 356 am 357 348 351 1 358 348 349 1 359 348 350 1 360 351 352 2 361 351 353 am 362 353 354 1 363 353 355 1 364 356 358 1 365 356 357 1 366 358 362 1 367 358 360 1 368 358 359 1 369 360 361 2 370 360 375 am 371 362 367 1 372 362 364 1 373 362 363 1 374 364 371 1 375 364 365 1 376 364 366 1 377 367 368 1 378 367 369 1 379 367 370 1 380 371 372 1 381 371 373 1 382 371 374 1 383 375 377 1 384 375 376 1 385 377 381 1 386 377 379 1 387 377 378 1 388 379 380 2 389 379 394 am 390 381 386 1 391 381 383 1 392 381 382 1 393 383 390 1 394 383 384 1 395 383 385 1 396 386 387 1 397 386 388 1 398 386 389 1 399 390 391 1 400 390 392 1 401 390 393 1 402 394 396 1 403 394 395 1 404 396 400 1 405 396 398 1 406 396 397 1 407 398 399 2 408 398 413 am 409 400 403 1 410 400 401 1 411 400 402 1 412 403 405 1 413 403 409 1 414 403 404 1 415 405 406 1 416 405 407 1 417 405 408 1 418 409 410 1 419 409 411 1 420 409 412 1 421 413 415 1 422 413 414 1 423 415 419 1 424 415 417 1 425 415 416 1 426 417 418 2 427 417 430 am 428 419 422 1 429 419 420 1 430 419 421 1 431 422 425 1 432 422 423 1 433 422 424 1 434 425 426 1 435 426 427 1 436 426 428 1 437 426 429 1 438 430 432 1 439 430 431 1 440 432 436 1 441 432 434 1 442 432 433 1 443 434 435 2 444 434 441 am 445 436 439 1 446 436 437 1 447 436 438 1 448 439 440 1 449 441 443 1 450 441 442 1 451 443 447 1 452 443 445 1 453 443 444 1 454 445 446 2 455 445 460 am 456 447 450 1 457 447 448 1 458 447 449 1 459 450 452 1 460 450 456 1 461 450 451 1 462 452 453 1 463 452 454 1 464 452 455 1 465 456 457 1 466 456 458 1 467 456 459 1 468 460 462 1 469 460 461 1 470 462 466 1 471 462 464 1 472 462 463 1 473 464 465 2 474 464 479 am 475 466 469 1 476 466 467 1 477 466 468 1 478 469 471 1 479 469 475 1 480 469 470 1 481 471 472 1 482 471 473 1 483 471 474 1 484 475 476 1 485 475 477 1 486 475 478 1 487 479 481 1 488 479 480 1 489 481 485 1 490 481 483 1 491 481 482 1 492 483 484 2 493 483 496 am 494 485 488 1 495 485 486 1 496 485 487 1 497 488 489 ar 498 488 490 ar 499 489 492 ar 500 490 494 ar 501 490 491 1 502 492 494 ar 503 492 493 1 504 494 495 1 505 496 498 1 506 496 497 1 507 498 502 1 508 498 500 1 509 498 499 1 510 500 501 2 511 500 515 am 512 502 505 1 513 502 503 1 514 502 504 1 515 505 507 1 516 505 511 1 517 505 506 1 518 507 508 1 519 507 509 1 520 507 510 1 521 511 512 1 522 511 513 1 523 511 514 1 524 515 517 1 525 515 516 1 526 517 520 1 527 517 518 1 528 517 519 1 529 520 521 2 530 520 522 am 531 522 524 1 532 522 523 1 533 524 528 1 534 524 526 1 535 524 525 1 536 526 527 2 537 526 532 am 538 528 529 1 539 528 530 1 540 528 531 1 541 532 534 1 542 532 533 1 543 534 538 1 544 534 536 1 545 534 535 1 546 536 537 2 547 536 551 am 548 538 541 1 549 538 539 1 550 538 540 1 551 541 543 1 552 541 547 1 553 541 542 1 554 543 544 1 555 543 545 1 556 543 546 1 557 547 548 1 558 547 549 1 559 547 550 1 560 551 553 1 561 551 552 1 562 553 557 1 563 553 555 1 564 553 554 1 565 555 556 2 566 555 572 am 567 557 560 1 568 557 558 1 569 557 559 1 570 560 561 ar 571 560 563 ar 572 561 565 ar 573 561 562 1 574 563 567 ar 575 563 564 1 576 565 569 ar 577 565 566 1 578 567 569 ar 579 567 568 1 580 569 570 1 581 570 571 1 582 572 574 1 583 572 573 1 584 574 577 1 585 574 575 1 586 574 576 1 587 577 578 2 588 577 579 am 589 579 581 1 590 579 580 1 591 581 585 1 592 581 583 1 593 581 582 1 594 583 584 2 595 583 598 am 596 585 590 1 597 585 587 1 598 585 586 1 599 587 594 1 600 587 588 1 601 587 589 1 602 590 591 1 603 590 592 1 604 590 593 1 605 594 595 1 606 594 596 1 607 594 597 1 608 598 600 1 609 598 599 1 610 600 604 1 611 600 602 1 612 600 601 1 613 602 603 2 614 602 612 am 615 604 608 1 616 604 606 1 617 604 605 1 618 606 607 1 619 608 609 1 620 608 610 1 621 608 611 1 622 612 614 1 623 612 613 1 624 614 618 1 625 614 616 1 626 614 615 1 627 616 617 2 628 616 631 am 629 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4680 1 4770 4681 4685 1 4771 4681 4683 1 4772 4681 4682 1 4773 4683 4684 2 4774 4683 4695 am 4775 4685 4687 1 4776 4685 4691 1 4777 4685 4686 1 4778 4687 4688 1 4779 4687 4689 1 4780 4687 4690 1 4781 4691 4692 1 4782 4691 4693 1 4783 4691 4694 1 4784 4695 4697 1 4785 4695 4696 1 4786 4697 4701 1 4787 4697 4699 1 4788 4697 4698 1 4789 4699 4700 2 4790 4699 4706 am 4791 4701 4704 1 4792 4701 4702 1 4793 4701 4703 1 4794 4704 4705 1 4795 4706 4708 1 4796 4706 4707 1 4797 4708 4712 1 4798 4708 4710 1 4799 4708 4709 1 4800 4710 4711 2 4801 4710 4728 am 4802 4712 4715 1 4803 4712 4713 1 4804 4712 4714 1 4805 4715 4718 1 4806 4715 4716 1 4807 4715 4717 1 4808 4718 4721 1 4809 4718 4719 1 4810 4718 4720 1 4811 4721 4724 1 4812 4721 4722 1 4813 4721 4723 1 4814 4724 4725 1 4815 4724 4726 1 4816 4724 4727 1 4817 4728 4730 1 4818 4728 4729 1 4819 4730 4734 1 4820 4730 4732 1 4821 4730 4731 1 4822 4732 4733 2 4823 4732 4738 am 4824 4734 4735 1 4825 4734 4736 1 4826 4734 4737 1 4827 4738 4740 1 4828 4738 4739 1 4829 4740 4744 1 4830 4740 4742 1 4831 4740 4741 1 4832 4742 4743 2 4833 4742 4748 am 4834 4744 4745 1 4835 4744 4746 1 4836 4744 4747 1 4837 4748 4750 1 4838 4748 4749 1 4839 4750 4754 1 4840 4750 4752 1 4841 4750 4751 1 4842 4752 4753 2 4843 4752 4767 am 4844 4754 4759 1 4845 4754 4756 1 4846 4754 4755 1 4847 4756 4763 1 4848 4756 4757 1 4849 4756 4758 1 4850 4759 4760 1 4851 4759 4761 1 4852 4759 4762 1 4853 4763 4764 1 4854 4763 4765 1 4855 4763 4766 1 4856 4767 4769 1 4857 4767 4768 1 4858 4769 4773 1 4859 4769 4771 1 4860 4769 4770 1 4861 4771 4772 2 4862 4771 4786 am 4863 4773 4776 1 4864 4773 4774 1 4865 4773 4775 1 4866 4776 4778 1 4867 4776 4782 1 4868 4776 4777 1 4869 4778 4779 1 4870 4778 4780 1 4871 4778 4781 1 4872 4782 4783 1 4873 4782 4784 1 4874 4782 4785 1 4875 4786 4788 1 4876 4786 4787 1 4877 4788 4792 1 4878 4788 4790 1 4879 4788 4789 1 4880 4790 4791 2 4881 4790 4796 am 4882 4792 4793 1 4883 4792 4794 1 4884 4792 4795 1 4885 4796 4798 1 4886 4796 4797 1 4887 4798 4802 1 4888 4798 4800 1 4889 4798 4799 1 4890 4800 4801 2 4891 4800 4820 am 4892 4802 4805 1 4893 4802 4803 1 4894 4802 4804 1 4895 4805 4808 1 4896 4805 4806 1 4897 4805 4807 1 4898 4808 4811 1 4899 4808 4809 1 4900 4808 4810 1 4901 4811 4813 ar 4902 4811 4812 1 4903 4813 4814 ar 4904 4813 4817 ar 4905 4814 4815 1 4906 4814 4816 1 4907 4817 4818 1 4908 4817 4819 1 4909 4820 4822 1 4910 4820 4821 1 4911 4822 4826 1 4912 4822 4824 1 4913 4822 4823 1 4914 4824 4825 2 4915 4824 4839 am 4916 4826 4831 1 4917 4826 4828 1 4918 4826 4827 1 4919 4828 4835 1 4920 4828 4829 1 4921 4828 4830 1 4922 4831 4832 1 4923 4831 4833 1 4924 4831 4834 1 4925 4835 4836 1 4926 4835 4837 1 4927 4835 4838 1 4928 4839 4841 1 4929 4839 4840 1 4930 4841 4845 1 4931 4841 4843 1 4932 4841 4842 1 4933 4843 4861 am 4934 4843 4844 2 4935 4845 4848 1 4936 4845 4846 1 4937 4845 4847 1 4938 4848 4851 1 4939 4848 4849 1 4940 4848 4850 1 4941 4851 4854 1 4942 4851 4852 1 4943 4851 4853 1 4944 4854 4857 1 4945 4854 4855 1 4946 4854 4856 1 4947 4857 4858 1 4948 4857 4859 1 4949 4857 4860 1 4950 4861 4863 1 4951 4861 4862 1 4952 4863 4868 1 4953 4863 4865 1 4954 4863 4864 1 4955 4865 4867 2 4956 4865 4866 1 4957 4868 4871 1 4958 4868 4869 1 4959 4868 4870 1 4960 4871 4874 1 4961 4871 4872 1 4962 4871 4873 1 4963 4874 4877 1 4964 4874 4875 1 4965 4874 4876 1 4966 4877 4879 ar 4967 4877 4878 1 4968 4879 4880 ar 4969 4879 4883 ar 4970 4880 4881 1 4971 4880 4882 1 4972 4883 4884 1 4973 4883 4885 1 4974 4888 4889 1 4975 4888 4890 1 @SUBSTRUCTURE 1 ASP1 5 RESIDUE 1 A ASP 1 ROOT 2 ILE2 17 RESIDUE 1 A ILE 2 3 TYR3 36 RESIDUE 1 A TYR 2 4 ASP4 57 RESIDUE 1 A ASP 2 5 PRO5 68 RESIDUE 1 A PRO 2 6 THR6 83 RESIDUE 1 A THR 2 7 TYR7 97 RESIDUE 1 A TYR 2 8 ALA8 118 RESIDUE 1 A ALA 2 9 ASP9 128 RESIDUE 1 A ASP 2 10 ALA10 140 RESIDUE 1 A ALA 2 11 ALA11 150 RESIDUE 1 A ALA 2 12 GLY12 160 RESIDUE 1 A GLY 2 13 PRO13 166 RESIDUE 1 A PRO 2 14 SER14 181 RESIDUE 1 A SER 2 15 PRO15 191 RESIDUE 1 A PRO 2 16 LYS16 206 RESIDUE 1 A LYS 2 17 VAL17 228 RESIDUE 1 A VAL 2 18 GLU18 244 RESIDUE 1 A GLU 2 19 TYR19 259 RESIDUE 1 A TYR 2 20 VAL20 280 RESIDUE 1 A VAL 2 21 TRP21 296 RESIDUE 1 A TRP 2 22 ARG22 320 RESIDUE 1 A ARG 2 23 ASN23 344 RESIDUE 1 A ASN 2 24 ILE24 358 RESIDUE 1 A ILE 2 25 ILE25 377 RESIDUE 1 A ILE 2 26 LEU26 396 RESIDUE 1 A LEU 2 27 MET27 415 RESIDUE 1 A MET 2 28 SER28 432 RESIDUE 1 A SER 2 29 LEU29 443 RESIDUE 1 A LEU 2 30 LEU30 462 RESIDUE 1 A LEU 2 31 HIS31 481 RESIDUE 1 A HIS 2 32 LEU32 498 RESIDUE 1 A LEU 2 33 GLY33 517 RESIDUE 1 A GLY 2 34 ALA34 524 RESIDUE 1 A ALA 2 35 LEU35 534 RESIDUE 1 A LEU 2 36 TYR36 553 RESIDUE 1 A TYR 2 37 GLY37 574 RESIDUE 1 A GLY 2 38 ILE38 581 RESIDUE 1 A ILE 2 39 THR39 600 RESIDUE 1 A THR 2 40 LEU40 614 RESIDUE 1 A LEU 2 41 ILE41 633 RESIDUE 1 A ILE 2 42 PRO42 651 RESIDUE 1 A PRO 2 43 THR43 666 RESIDUE 1 A THR 2 44 CYS44 680 RESIDUE 1 A CYS 2 45 LYS45 691 RESIDUE 1 A LYS 2 46 PHE46 713 RESIDUE 1 A PHE 2 47 TYR47 733 RESIDUE 1 A TYR 2 48 THR48 754 RESIDUE 1 A THR 2 49 TRP49 768 RESIDUE 1 A TRP 2 50 LEU50 792 RESIDUE 1 A LEU 2 51 TRP51 811 RESIDUE 1 A TRP 2 52 GLY52 835 RESIDUE 1 A GLY 2 53 VAL53 842 RESIDUE 1 A VAL 2 54 PHE54 858 RESIDUE 1 A PHE 2 55 TYR55 878 RESIDUE 1 A TYR 2 56 TYR56 899 RESIDUE 1 A TYR 2 57 PHE57 920 RESIDUE 1 A PHE 2 58 VAL58 940 RESIDUE 1 A VAL 2 59 SER59 956 RESIDUE 1 A SER 2 60 ALA60 967 RESIDUE 1 A ALA 2 61 LEU61 977 RESIDUE 1 A LEU 2 62 GLY62 996 RESIDUE 1 A GLY 2 63 ILE63 1003 RESIDUE 1 A ILE 2 64 THR64 1022 RESIDUE 1 A THR 2 65 ALA65 1036 RESIDUE 1 A ALA 2 66 GLY66 1046 RESIDUE 1 A GLY 2 67 ALA67 1053 RESIDUE 1 A ALA 2 68 HIS68 1063 RESIDUE 1 A HIS 2 69 ARG69 1080 RESIDUE 1 A ARG 2 70 LEU70 1104 RESIDUE 1 A LEU 2 71 TRP71 1123 RESIDUE 1 A TRP 2 72 SER72 1147 RESIDUE 1 A SER 2 73 HIS73 1158 RESIDUE 1 A HIS 2 74 ARG74 1175 RESIDUE 1 A ARG 2 75 SER75 1199 RESIDUE 1 A SER 2 76 TYR76 1210 RESIDUE 1 A TYR 2 77 LYS77 1231 RESIDUE 1 A LYS 2 78 ALA78 1253 RESIDUE 1 A ALA 2 79 ARG79 1263 RESIDUE 1 A ARG 2 80 LEU80 1287 RESIDUE 1 A LEU 2 81 PRO81 1305 RESIDUE 1 A PRO 2 82 LEU82 1320 RESIDUE 1 A LEU 2 83 ARG83 1339 RESIDUE 1 A ARG 2 84 LEU84 1363 RESIDUE 1 A LEU 2 85 PHE85 1382 RESIDUE 1 A PHE 2 86 LEU86 1402 RESIDUE 1 A LEU 2 87 ILE87 1421 RESIDUE 1 A ILE 2 88 ILE88 1440 RESIDUE 1 A ILE 2 89 ALA89 1459 RESIDUE 1 A ALA 2 90 ASN90 1469 RESIDUE 1 A ASN 2 91 THR91 1483 RESIDUE 1 A THR 2 92 MET92 1497 RESIDUE 1 A MET 2 93 ALA93 1514 RESIDUE 1 A ALA 2 94 PHE94 1524 RESIDUE 1 A PHE 2 95 GLN95 1544 RESIDUE 1 A GLN 2 96 ASN96 1561 RESIDUE 1 A ASN 2 97 ASP97 1575 RESIDUE 1 A ASP 2 98 VAL98 1587 RESIDUE 1 A VAL 2 99 TYR99 1603 RESIDUE 1 A TYR 2 100 GLU100 1624 RESIDUE 1 A GLU 2 101 TRP101 1639 RESIDUE 1 A TRP 2 102 ALA102 1663 RESIDUE 1 A ALA 2 103 ARG103 1673 RESIDUE 1 A ARG 2 104 ASP104 1697 RESIDUE 1 A ASP 2 105 HIS105 1709 RESIDUE 1 A HIS 2 106 ARG106 1726 RESIDUE 1 A ARG 2 107 ALA107 1750 RESIDUE 1 A ALA 2 108 HIS108 1760 RESIDUE 1 A HIS 2 109 HIS109 1777 RESIDUE 1 A HIS 2 110 LYS110 1794 RESIDUE 1 A LYS 2 111 PHE111 1816 RESIDUE 1 A PHE 2 112 SER112 1836 RESIDUE 1 A SER 2 113 GLU113 1847 RESIDUE 1 A GLU 2 114 THR114 1862 RESIDUE 1 A THR 2 115 HIS115 1876 RESIDUE 1 A HIS 2 116 ALA116 1893 RESIDUE 1 A ALA 2 117 ASP117 1903 RESIDUE 1 A ASP 2 118 PRO118 1914 RESIDUE 1 A PRO 2 119 HIS119 1929 RESIDUE 1 A HIS 2 120 ASN120 1946 RESIDUE 1 A ASN 2 121 SER121 1960 RESIDUE 1 A SER 2 122 ARG122 1971 RESIDUE 1 A ARG 2 123 ARG123 1995 RESIDUE 1 A ARG 2 124 GLY124 2019 RESIDUE 1 A GLY 2 125 PHE125 2026 RESIDUE 1 A PHE 2 126 PHE126 2046 RESIDUE 1 A PHE 2 127 PHE127 2066 RESIDUE 1 A PHE 2 128 SER128 2086 RESIDUE 1 A SER 2 129 HIS129 2097 RESIDUE 1 A HIS 2 130 VAL130 2114 RESIDUE 1 A VAL 2 131 GLY131 2130 RESIDUE 1 A GLY 2 132 TRP132 2137 RESIDUE 1 A TRP 2 133 LEU133 2161 RESIDUE 1 A LEU 2 134 LEU134 2180 RESIDUE 1 A LEU 2 135 VAL135 2199 RESIDUE 1 A VAL 2 136 ARG136 2215 RESIDUE 1 A ARG 2 137 LYS137 2239 RESIDUE 1 A LYS 2 138 HIS138 2261 RESIDUE 1 A HIS 2 139 PRO139 2277 RESIDUE 1 A PRO 2 140 ALA140 2292 RESIDUE 1 A ALA 2 141 VAL141 2302 RESIDUE 1 A VAL 2 142 LYS142 2318 RESIDUE 1 A LYS 2 143 GLU143 2340 RESIDUE 1 A GLU 2 144 LYS144 2355 RESIDUE 1 A LYS 2 145 GLY145 2377 RESIDUE 1 A GLY 2 146 SER146 2384 RESIDUE 1 A SER 2 147 THR147 2395 RESIDUE 1 A THR 2 148 LEU148 2409 RESIDUE 1 A LEU 2 149 ASP149 2428 RESIDUE 1 A ASP 2 150 LEU150 2440 RESIDUE 1 A LEU 2 151 SER151 2459 RESIDUE 1 A SER 2 152 ASP152 2470 RESIDUE 1 A ASP 2 153 LEU153 2482 RESIDUE 1 A LEU 2 154 GLU154 2501 RESIDUE 1 A GLU 2 155 ALA155 2516 RESIDUE 1 A ALA 2 156 GLU156 2526 RESIDUE 1 A GLU 2 157 LYS157 2541 RESIDUE 1 A LYS 2 158 LEU158 2563 RESIDUE 1 A LEU 2 159 VAL159 2582 RESIDUE 1 A VAL 2 160 MET160 2598 RESIDUE 1 A MET 2 161 PHE161 2615 RESIDUE 1 A PHE 2 162 GLN162 2635 RESIDUE 1 A GLN 2 163 ARG163 2652 RESIDUE 1 A ARG 2 164 ARG164 2676 RESIDUE 1 A ARG 2 165 TYR165 2700 RESIDUE 1 A TYR 2 166 TYR166 2721 RESIDUE 1 A TYR 2 167 LYS167 2742 RESIDUE 1 A LYS 2 168 PRO168 2763 RESIDUE 1 A PRO 2 169 GLY169 2778 RESIDUE 1 A GLY 2 170 LEU170 2785 RESIDUE 1 A LEU 2 171 LEU171 2804 RESIDUE 1 A LEU 2 172 MET172 2823 RESIDUE 1 A MET 2 173 MET173 2840 RESIDUE 1 A MET 2 174 CYS174 2857 RESIDUE 1 A CYS 2 175 PHE175 2868 RESIDUE 1 A PHE 2 176 ILE176 2888 RESIDUE 1 A ILE 2 177 LEU177 2907 RESIDUE 1 A LEU 2 178 PRO178 2925 RESIDUE 1 A PRO 2 179 THR179 2940 RESIDUE 1 A THR 2 180 LEU180 2954 RESIDUE 1 A LEU 2 181 VAL181 2973 RESIDUE 1 A VAL 2 182 PRO182 2988 RESIDUE 1 A PRO 2 183 TRP183 3003 RESIDUE 1 A TRP 2 184 TYR184 3027 RESIDUE 1 A TYR 2 185 PHE185 3048 RESIDUE 1 A PHE 2 186 TRP186 3068 RESIDUE 1 A TRP 2 187 GLY187 3092 RESIDUE 1 A GLY 2 188 GLU188 3099 RESIDUE 1 A GLU 2 189 THR189 3114 RESIDUE 1 A THR 2 190 PHE190 3128 RESIDUE 1 A PHE 2 191 GLN191 3148 RESIDUE 1 A GLN 2 192 ASN192 3165 RESIDUE 1 A ASN 2 193 SER193 3179 RESIDUE 1 A SER 2 194 VAL194 3190 RESIDUE 1 A VAL 2 195 PHE195 3206 RESIDUE 1 A PHE 2 196 VAL196 3226 RESIDUE 1 A VAL 2 197 ALA197 3242 RESIDUE 1 A ALA 2 198 THR198 3252 RESIDUE 1 A THR 2 199 PHE199 3266 RESIDUE 1 A PHE 2 200 LEU200 3286 RESIDUE 1 A LEU 2 201 ARG201 3305 RESIDUE 1 A ARG 2 202 TYR202 3329 RESIDUE 1 A TYR 2 203 ALA203 3350 RESIDUE 1 A ALA 2 204 VAL204 3360 RESIDUE 1 A VAL 2 205 VAL205 3376 RESIDUE 1 A VAL 2 206 LEU206 3392 RESIDUE 1 A LEU 2 207 ASN207 3411 RESIDUE 1 A ASN 2 208 ALA208 3425 RESIDUE 1 A ALA 2 209 THR209 3435 RESIDUE 1 A THR 2 210 TRP210 3449 RESIDUE 1 A TRP 2 211 LEU211 3473 RESIDUE 1 A LEU 2 212 VAL212 3492 RESIDUE 1 A VAL 2 213 ASN213 3508 RESIDUE 1 A ASN 2 214 SER214 3522 RESIDUE 1 A SER 2 215 ALA215 3533 RESIDUE 1 A ALA 2 216 ALA216 3543 RESIDUE 1 A ALA 2 217 HIS217 3553 RESIDUE 1 A HIS 2 218 LEU218 3570 RESIDUE 1 A LEU 2 219 PHE219 3589 RESIDUE 1 A PHE 2 220 GLY220 3609 RESIDUE 1 A GLY 2 221 TYR221 3616 RESIDUE 1 A TYR 2 222 ARG222 3637 RESIDUE 1 A ARG 2 223 PRO223 3660 RESIDUE 1 A PRO 2 224 TYR224 3675 RESIDUE 1 A TYR 2 225 ASP225 3696 RESIDUE 1 A ASP 2 226 LYS226 3708 RESIDUE 1 A LYS 2 227 ASN227 3730 RESIDUE 1 A ASN 2 228 ILE228 3744 RESIDUE 1 A ILE 2 229 SER229 3763 RESIDUE 1 A SER 2 230 PRO230 3773 RESIDUE 1 A PRO 2 231 ARG231 3788 RESIDUE 1 A ARG 2 232 GLU232 3812 RESIDUE 1 A GLU 2 233 ASN233 3827 RESIDUE 1 A ASN 2 234 ILE234 3841 RESIDUE 1 A ILE 2 235 LEU235 3860 RESIDUE 1 A LEU 2 236 VAL236 3879 RESIDUE 1 A VAL 2 237 SER237 3895 RESIDUE 1 A SER 2 238 LEU238 3906 RESIDUE 1 A LEU 2 239 GLY239 3925 RESIDUE 1 A GLY 2 240 ALA240 3932 RESIDUE 1 A ALA 2 241 VAL241 3942 RESIDUE 1 A VAL 2 242 GLY242 3958 RESIDUE 1 A GLY 2 243 GLU243 3965 RESIDUE 1 A GLU 2 244 GLY244 3980 RESIDUE 1 A GLY 2 245 PHE245 3987 RESIDUE 1 A PHE 2 246 HIS246 4007 RESIDUE 1 A HIS 2 247 ASN247 4024 RESIDUE 1 A ASN 2 248 TYR248 4038 RESIDUE 1 A TYR 2 249 HIS249 4059 RESIDUE 1 A HIS 2 250 HIS250 4076 RESIDUE 1 A HIS 2 251 SER251 4093 RESIDUE 1 A SER 2 252 PHE252 4104 RESIDUE 1 A PHE 2 253 PRO253 4123 RESIDUE 1 A PRO 2 254 TYR254 4138 RESIDUE 1 A TYR 2 255 ASP255 4159 RESIDUE 1 A ASP 2 256 TYR256 4171 RESIDUE 1 A TYR 2 257 SER257 4192 RESIDUE 1 A SER 2 258 ALA258 4203 RESIDUE 1 A ALA 2 259 SER259 4213 RESIDUE 1 A SER 2 260 GLU260 4224 RESIDUE 1 A GLU 2 261 TYR261 4239 RESIDUE 1 A TYR 2 262 ARG262 4260 RESIDUE 1 A ARG 2 263 TRP263 4284 RESIDUE 1 A TRP 2 264 HIS264 4308 RESIDUE 1 A HIS 2 265 ILE265 4325 RESIDUE 1 A ILE 2 266 ASN266 4344 RESIDUE 1 A ASN 2 267 PHE267 4358 RESIDUE 1 A PHE 2 268 THR268 4378 RESIDUE 1 A THR 2 269 THR269 4392 RESIDUE 1 A THR 2 270 PHE270 4406 RESIDUE 1 A PHE 2 271 PHE271 4426 RESIDUE 1 A PHE 2 272 ILE272 4446 RESIDUE 1 A ILE 2 273 ASP273 4465 RESIDUE 1 A ASP 2 274 CYS274 4477 RESIDUE 1 A CYS 2 275 MET275 4488 RESIDUE 1 A MET 2 276 ALA276 4505 RESIDUE 1 A ALA 2 277 ALA277 4515 RESIDUE 1 A ALA 2 278 LEU278 4525 RESIDUE 1 A LEU 2 279 GLY279 4544 RESIDUE 1 A GLY 2 280 LEU280 4551 RESIDUE 1 A LEU 2 281 ALA281 4570 RESIDUE 1 A ALA 2 282 TYR282 4580 RESIDUE 1 A TYR 2 283 ASP283 4601 RESIDUE 1 A ASP 2 284 ARG284 4613 RESIDUE 1 A ARG 2 285 LYS285 4637 RESIDUE 1 A LYS 2 286 LYS286 4659 RESIDUE 1 A LYS 2 287 VAL287 4681 RESIDUE 1 A VAL 2 288 SER288 4697 RESIDUE 1 A SER 2 289 LYS289 4708 RESIDUE 1 A LYS 2 290 ALA290 4730 RESIDUE 1 A ALA 2 291 ALA291 4740 RESIDUE 1 A ALA 2 292 ILE292 4750 RESIDUE 1 A ILE 2 293 LEU293 4769 RESIDUE 1 A LEU 2 294 ALA294 4788 RESIDUE 1 A ALA 2 295 ARG295 4798 RESIDUE 1 A ARG 2 296 ILE296 4822 RESIDUE 1 A ILE 2 297 LYS297 4841 RESIDUE 1 A LYS 2 298 ARG298 4863 RESIDUE 1 A ARG 1 299 ZN299 4886 RESIDUE 1 A ZN 0 ROOT 300 ZN300 4887 RESIDUE 1 A ZN 0 ROOT 301 HOH302 4888 RESIDUE 1 A HOH 0 ROOT