#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 1O43_min 1701 1718 106 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 2.5440 13.9520 6.0630 N.4 1 SER1 -0.0619 2 CA 2.8910 15.4060 6.0420 C.3 1 SER1 0.2155 3 C 2.9450 15.9170 7.4230 C.2 1 SER1 0.2338 4 O 1.9620 15.8180 8.1720 O.2 1 SER1 -0.2772 5 CB 1.8880 16.2620 5.2470 C.3 1 SER1 0.0806 6 OG 2.4250 17.5670 5.0820 O.3 1 SER1 -0.3925 7 H1 3.2560 13.4480 6.6360 H 1 SER1 0.2751 8 H2 2.4640 13.5520 5.1110 H 1 SER1 0.2751 9 H3 1.6600 13.8350 6.6100 H 1 SER1 0.2751 10 HA 3.8800 15.5010 5.5920 H 1 SER1 0.0714 11 HB1 0.9200 16.3050 5.7650 H 1 SER1 0.0582 12 HB2 1.7190 15.8120 4.2630 H 1 SER1 0.0582 13 HG 1.8180 18.1440 4.6200 H 1 SER1 0.2095 14 N 4.0990 16.4830 7.7860 N.am 2 ILE2 -0.2449 15 CA 4.2780 17.0320 9.1270 C.3 2 ILE2 0.0904 16 C 3.3390 18.2100 9.3800 C.2 2 ILE2 0.2189 17 O 2.9180 18.4360 10.5000 O.2 2 ILE2 -0.2778 18 CB 5.7620 17.3950 9.3530 C.3 2 ILE2 -0.0201 19 CG1 6.2420 18.5690 8.4720 C.3 2 ILE2 -0.0514 20 CG2 6.6390 16.1450 9.1670 C.3 2 ILE2 -0.0605 21 CD1 7.7030 18.9660 8.7190 C.3 2 ILE2 -0.0650 22 H 4.8670 16.5320 7.1160 H 2 ILE2 0.1312 23 HA 3.9980 16.2770 9.8520 H 2 ILE2 0.0560 24 HB 5.8610 17.7080 10.3940 H 2 ILE2 0.0318 25 HG11 5.6260 19.4440 8.6760 H 2 ILE2 0.0266 26 HG12 6.1040 18.3360 7.4170 H 2 ILE2 0.0266 27 HG21 7.6780 16.3430 9.4200 H 2 ILE2 0.0233 28 HG22 6.6210 15.7850 8.1390 H 2 ILE2 0.0233 29 HG23 6.2940 15.3320 9.8080 H 2 ILE2 0.0233 30 HD11 7.9480 19.8870 8.1890 H 2 ILE2 0.0230 31 HD12 8.3940 18.1970 8.3740 H 2 ILE2 0.0230 32 HD13 7.8910 19.1340 9.7780 H 2 ILE2 0.0230 33 N 2.9620 18.9100 8.3180 N.am 3 GLN3 -0.2456 34 CA 2.0410 20.0450 8.4240 C.3 3 GLN3 0.0882 35 C 0.7230 19.5210 8.9780 C.2 3 GLN3 0.2187 36 O -0.0400 20.2490 9.6070 O.2 3 GLN3 -0.2778 37 CB 1.8210 20.6980 7.0480 C.3 3 GLN3 -0.0210 38 CG 3.1130 21.0270 6.2800 C.3 3 GLN3 0.0225 39 CD 4.0850 21.9060 7.0750 C.2 3 GLN3 0.1981 40 OE1 5.2460 21.5700 7.2500 O.2 3 GLN3 -0.2798 41 NE2 3.5480 23.0450 7.5390 N.am 3 GLN3 -0.2724 42 H 3.3240 18.6500 7.4000 H 3 GLN3 0.1312 43 HA 2.4680 20.7490 9.1390 H 3 GLN3 0.0557 44 HB1 1.2250 21.6030 7.1750 H 3 GLN3 0.0289 45 HB2 1.2190 20.0370 6.4240 H 3 GLN3 0.0289 46 HG1 2.8760 21.5400 5.3490 H 3 GLN3 0.0356 47 HG2 3.6400 20.1120 6.0050 H 3 GLN3 0.0356 48 HE21 4.1280 23.6740 8.0560 H 3 GLN3 0.1266 49 HE22 2.5890 23.2790 7.3850 H 3 GLN3 0.1266 50 N 0.4490 18.2560 8.6950 N.am 4 ALA4 -0.2459 51 CA -0.7640 17.6110 9.1550 C.3 4 ALA4 0.0850 52 C -0.6190 17.1600 10.6130 C.2 4 ALA4 0.2184 53 O -1.6050 16.8610 11.2850 O.2 4 ALA4 -0.2778 54 CB -1.1110 16.4170 8.2590 C.3 4 ALA4 -0.0411 55 H 1.1130 17.7200 8.1360 H 4 ALA4 0.1312 56 HA -1.5720 18.3430 9.1120 H 4 ALA4 0.0554 57 HB1 -2.0940 16.0180 8.5140 H 4 ALA4 0.0249 58 HB2 -0.3980 15.6020 8.3730 H 4 ALA4 0.0249 59 HB3 -1.1330 16.7090 7.2100 H 4 ALA4 0.0249 60 N 0.6140 17.0770 11.0940 N.am 5 GLU5 -0.2456 61 CA 0.8380 16.6490 12.4590 C.3 5 GLU5 0.0883 62 C 0.3490 17.7320 13.4970 C.2 5 GLU5 0.2187 63 O 0.7250 18.9140 13.4300 O.2 5 GLU5 -0.2778 64 CB 2.2120 15.9310 12.5040 C.3 5 GLU5 -0.0193 65 CG 2.2080 14.4470 11.9520 C.3 5 GLU5 0.0356 66 CD 2.4010 14.0800 10.4230 C.2 5 GLU5 0.1760 67 OE1 3.5270 14.0550 9.9180 O.co2 5 GLU5 -0.6478 68 OE2 1.4350 13.7780 9.7170 O.co2 5 GLU5 -0.6478 69 H 1.4080 17.3160 10.5000 H 5 GLU5 0.1312 70 HA 0.1310 15.8320 12.6230 H 5 GLU5 0.0557 71 HB1 2.4790 15.8800 13.5570 H 5 GLU5 0.0290 72 HB2 2.9950 16.5220 12.0330 H 5 GLU5 0.0290 73 HG1 1.2980 13.9500 12.2870 H 5 GLU5 0.0374 74 HG2 3.0060 13.9130 12.4620 H 5 GLU5 0.0374 75 N -0.4340 17.2970 14.4830 N.am 6 GLU6 -0.2456 76 CA -0.9370 18.2430 15.4770 C.3 6 GLU6 0.0883 77 C 0.1760 18.8570 16.2890 C.2 6 GLU6 0.2187 78 O -0.0130 19.9320 16.8580 O.2 6 GLU6 -0.2778 79 CB -2.0660 17.6070 16.3220 C.3 6 GLU6 -0.0193 80 CG -1.6790 16.8770 17.6270 C.3 6 GLU6 0.0356 81 CD -1.0000 15.5080 17.4710 C.2 6 GLU6 0.1760 82 OE1 -1.0560 14.7260 18.4200 O.co2 6 GLU6 -0.6478 83 OE2 -0.4250 15.2290 16.4260 O.co2 6 GLU6 -0.6478 84 H -0.6810 16.3090 14.5440 H 6 GLU6 0.1312 85 HA -1.3820 19.0530 14.8970 H 6 GLU6 0.0557 86 HB1 -2.6610 16.9440 15.6940 H 6 GLU6 0.0290 87 HB2 -2.7410 18.4130 16.6080 H 6 GLU6 0.0290 88 HG1 -2.5860 16.7090 18.2080 H 6 GLU6 0.0374 89 HG2 -1.0440 17.5020 18.2460 H 6 GLU6 0.0374 90 N 1.3120 18.1520 16.3920 N.am 7 TRP7 -0.2453 91 CA 2.4580 18.6650 17.1580 C.3 7 TRP7 0.0918 92 C 3.3550 19.5410 16.3350 C.2 7 TRP7 0.2190 93 O 4.3450 20.0840 16.8590 O.2 7 TRP7 -0.2778 94 CB 3.2480 17.5180 17.8190 C.3 7 TRP7 -0.0021 95 CG 3.5120 16.3560 16.8810 C.ar 7 TRP7 -0.0260 96 CD1 2.8080 15.1480 16.8820 C.ar 7 TRP7 -0.0136 97 CD2 4.5020 16.2470 15.8350 C.ar 7 TRP7 -0.0028 98 NE1 3.3220 14.3270 15.9350 N.ar 7 TRP7 -0.2641 99 CE2 4.3480 14.9650 15.2560 C.ar 7 TRP7 0.0269 100 CE3 5.4500 17.1020 15.3420 C.ar 7 TRP7 -0.0528 101 CZ2 5.1240 14.5910 14.1950 C.ar 7 TRP7 -0.0430 102 CZ3 6.2320 16.7310 14.2490 C.ar 7 TRP7 -0.0611 103 CH2 6.0620 15.4750 13.6660 C.ar 7 TRP7 -0.0602 104 H 1.3820 17.2450 15.9310 H 7 TRP7 0.1312 105 HA 2.0680 19.3070 17.9450 H 7 TRP7 0.0560 106 HB1 2.6660 17.1340 18.6520 H 7 TRP7 0.0334 107 HB2 4.1870 17.8700 18.2470 H 7 TRP7 0.0334 108 HD1 1.9650 14.9150 17.5200 H 7 TRP7 0.0748 109 HE1 2.9640 13.4390 15.7270 H 7 TRP7 0.1331 110 HE3 5.5720 18.0760 15.7860 H 7 TRP7 0.0624 111 HZ2 4.9720 13.6220 13.7450 H 7 TRP7 0.0633 112 HZ3 6.9580 17.4230 13.8530 H 7 TRP7 0.0618 113 HH2 6.6440 15.1830 12.8050 H 7 TRP7 0.0618 114 N 3.0500 19.6750 15.0450 N.am 8 TYR8 -0.2453 115 CA 3.8690 20.5390 14.2070 C.3 8 TYR8 0.0917 116 C 3.2500 21.9370 14.2320 C.2 8 TYR8 0.2190 117 O 2.1870 22.1710 13.6270 O.2 8 TYR8 -0.2778 118 CB 3.9600 19.9680 12.7880 C.3 8 TYR8 -0.0036 119 CG 5.0430 20.6610 12.0030 C.ar 8 TYR8 -0.0453 120 CD1 6.3830 20.4380 12.3090 C.ar 8 TYR8 -0.0561 121 CD2 4.7220 21.5820 11.0120 C.ar 8 TYR8 -0.0561 122 CE1 7.3830 21.1620 11.6730 C.ar 8 TYR8 -0.0317 123 CE2 5.7230 22.2810 10.3520 C.ar 8 TYR8 -0.0317 124 CZ 7.0520 22.0920 10.7000 C.ar 8 TYR8 0.0726 125 OH 8.0400 22.8480 10.1060 O.3 8 TYR8 -0.3598 126 H 2.2520 19.1780 14.6490 H 8 TYR8 0.1312 127 HA 4.8740 20.5860 14.6300 H 8 TYR8 0.0560 128 HB1 2.9970 20.0560 12.2830 H 8 TYR8 0.0333 129 HB2 4.1900 18.9030 12.8320 H 8 TYR8 0.0333 130 HD1 6.6470 19.7250 13.0740 H 8 TYR8 0.0621 131 HD2 3.6860 21.7770 10.7770 H 8 TYR8 0.0621 132 HE1 8.4190 21.0110 11.9350 H 8 TYR8 0.0643 133 HE2 5.4700 23.0090 9.5970 H 8 TYR8 0.0643 134 HH 7.6550 23.4330 9.4650 H 8 TYR8 0.2173 135 N 3.9070 22.8480 14.9480 N.am 9 PHE9 -0.2453 136 CA 3.4470 24.2320 15.0690 C.3 9 PHE9 0.0917 137 C 3.9720 25.1690 13.9650 C.2 9 PHE9 0.2188 138 O 3.7270 26.3770 13.9890 O.2 9 PHE9 -0.2778 139 CB 3.7710 24.7660 16.4790 C.3 9 PHE9 -0.0036 140 CG 2.7540 24.3510 17.5190 C.ar 9 PHE9 -0.0454 141 CD1 2.5340 23.0100 17.8270 C.ar 9 PHE9 -0.0585 142 CD2 2.0080 25.3160 18.1950 C.ar 9 PHE9 -0.0585 143 CE1 1.6090 22.6410 18.7940 C.ar 9 PHE9 -0.0615 144 CE2 1.0840 24.9520 19.1670 C.ar 9 PHE9 -0.0615 145 CZ 0.8840 23.6130 19.4680 C.ar 9 PHE9 -0.0617 146 H 4.7620 22.5710 15.4300 H 9 PHE9 0.1312 147 HA 2.3610 24.2280 14.9530 H 9 PHE9 0.0560 148 HB1 3.7910 25.8540 16.4640 H 9 PHE9 0.0333 149 HB2 4.7660 24.4460 16.7920 H 9 PHE9 0.0333 150 HD1 3.0890 22.2350 17.3230 H 9 PHE9 0.0620 151 HD2 2.1370 26.3630 17.9670 H 9 PHE9 0.0620 152 HE1 1.4450 21.5960 19.0160 H 9 PHE9 0.0618 153 HE2 0.5120 25.7080 19.6850 H 9 PHE9 0.0618 154 HZ 0.1560 23.3290 20.2140 H 9 PHE9 0.0618 155 N 4.6930 24.6010 13.0110 N.am 10 GLY10 -0.2485 156 CA 5.2030 25.3830 11.9140 C.3 10 GLY10 0.0765 157 C 5.9860 26.6170 12.3050 C.2 10 GLY10 0.2155 158 O 6.8900 26.5970 13.1450 O.2 10 GLY10 -0.2781 159 H 4.8890 23.6010 13.0530 H 10 GLY10 0.1309 160 HA1 4.3580 25.6450 11.2760 H 10 GLY10 0.0521 161 HA2 5.8720 24.7410 11.3470 H 10 GLY10 0.0521 162 N 5.6210 27.7190 11.6890 N.am 11 LYS11 -0.2459 163 CA 6.3120 28.9400 11.9340 C.3 11 LYS11 0.0878 164 C 5.8570 29.7080 13.1570 C.2 11 LYS11 0.2187 165 O 5.0050 30.5880 13.0480 O.2 11 LYS11 -0.2778 166 CB 6.1850 29.7900 10.6570 C.3 11 LYS11 -0.0289 167 CG 7.2620 30.8800 10.5390 C.3 11 LYS11 -0.0496 168 CD 7.4100 31.4380 9.1130 C.3 11 LYS11 -0.0278 169 CE 8.3090 30.5800 8.2050 C.3 11 LYS11 0.1103 170 NZ 7.7520 29.2770 7.8650 N.4 11 LYS11 -0.0749 171 H 4.8400 27.7000 11.0330 H 11 LYS11 0.1312 172 HA 7.3700 28.6970 12.0650 H 11 LYS11 0.0557 173 HB1 5.1900 30.2300 10.5760 H 11 LYS11 0.0285 174 HB2 6.2580 29.1220 9.8050 H 11 LYS11 0.0285 175 HG1 8.2270 30.4980 10.8760 H 11 LYS11 0.0266 176 HG2 7.0070 31.6900 11.2240 H 11 LYS11 0.0266 177 HD1 7.8610 32.4290 9.1840 H 11 LYS11 0.0282 178 HD2 6.4300 31.5900 8.6590 H 11 LYS11 0.0282 179 HE1 9.2710 30.4040 8.6910 H 11 LYS11 0.0559 180 HE2 8.5170 31.1030 7.2710 H 11 LYS11 0.0559 181 HZ1 7.5660 28.7280 8.7320 H 11 LYS11 0.2742 182 HZ2 8.4670 28.6690 7.4070 H 11 LYS11 0.2742 183 HZ3 6.8890 29.3300 7.2990 H 11 LYS11 0.2742 184 N 6.2980 29.2990 14.3350 N.am 12 ILE12 -0.2454 185 CA 6.0060 30.0570 15.5450 C.3 12 ILE12 0.0903 186 C 7.4010 30.3060 16.1010 C.2 12 ILE12 0.2190 187 O 8.3230 29.5360 15.8280 O.2 12 ILE12 -0.2778 188 CB 5.1600 29.2580 16.5620 C.3 12 ILE12 -0.0201 189 CG1 5.7710 27.8890 16.9430 C.3 12 ILE12 -0.0514 190 CG2 3.7170 29.1080 16.0600 C.3 12 ILE12 -0.0605 191 CD1 5.2630 27.3710 18.2940 C.3 12 ILE12 -0.0650 192 H 6.8490 28.4430 14.3970 H 12 ILE12 0.1312 193 HA 5.5470 31.0190 15.3060 H 12 ILE12 0.0560 194 HB 5.1150 29.8590 17.4720 H 12 ILE12 0.0318 195 HG11 6.8540 27.9510 17.0240 H 12 ILE12 0.0266 196 HG12 5.5790 27.1630 16.1520 H 12 ILE12 0.0266 197 HG21 3.0910 28.5910 16.7870 H 12 ILE12 0.0233 198 HG22 3.6790 28.5480 15.1270 H 12 ILE12 0.0233 199 HG23 3.2670 30.0840 15.8750 H 12 ILE12 0.0233 200 HD11 5.6840 26.3920 18.5200 H 12 ILE12 0.0230 201 HD12 4.1790 27.2780 18.3080 H 12 ILE12 0.0230 202 HD13 5.5420 28.0490 19.1010 H 12 ILE12 0.0230 203 N 7.5680 31.3970 16.8350 N.am 13 THR13 -0.2434 204 CA 8.8630 31.7750 17.3820 C.3 13 THR13 0.1135 205 C 9.2030 31.0210 18.6060 C.2 13 THR13 0.2212 206 O 8.3520 30.4200 19.2540 O.2 13 THR13 -0.2777 207 CB 8.8130 33.2810 17.7230 C.3 13 THR13 0.0763 208 OG1 7.7290 33.5130 18.6140 O.3 13 THR13 -0.3900 209 CG2 8.6770 34.1310 16.4490 C.3 13 THR13 -0.0370 210 H 6.7610 31.9920 17.0230 H 13 THR13 0.1313 211 HA 9.6260 31.5920 16.6240 H 13 THR13 0.0583 212 HB 9.7470 33.5660 18.2200 H 13 THR13 0.0611 213 HG1 7.6390 34.4430 18.7980 H 13 THR13 0.2098 214 HG21 8.7610 35.1970 16.6640 H 13 THR13 0.0255 215 HG22 7.7200 33.9630 15.9560 H 13 THR13 0.0255 216 HG23 9.4680 33.8860 15.7400 H 13 THR13 0.0255 217 N 10.4780 31.0890 18.9730 N.am 14 ARG14 -0.2456 218 CA 10.9610 30.4700 20.1850 C.3 14 ARG14 0.0879 219 C 10.1930 31.0190 21.4240 C.2 14 ARG14 0.2187 220 O 9.7820 30.2630 22.3090 O.2 14 ARG14 -0.2778 221 CB 12.4400 30.8710 20.2780 C.3 14 ARG14 -0.0258 222 CG 13.0330 30.9460 21.6830 C.3 14 ARG14 -0.0154 223 CD 14.5390 31.1760 21.6160 C.3 14 ARG14 0.1045 224 NE 15.1730 29.9450 21.1630 N.pl3 14 ARG14 -0.4450 225 CZ 15.3970 28.9360 21.9860 C.cat 14 ARG14 0.5062 226 NH1 16.0250 27.9040 21.5150 N.pl3 14 ARG14 -0.4573 227 NH2 15.0010 28.9540 23.2340 N.pl3 14 ARG14 -0.4573 228 H 11.1360 31.5940 18.3800 H 14 ARG14 0.1312 229 HA 10.8230 29.3920 20.1130 H 14 ARG14 0.0557 230 HB1 12.5790 31.8540 19.8250 H 14 ARG14 0.0286 231 HB2 13.0200 30.1760 19.6770 H 14 ARG14 0.0286 232 HG1 12.8010 30.0230 22.2100 H 14 ARG14 0.0299 233 HG2 12.5810 31.7590 22.2500 H 14 ARG14 0.0299 234 HD1 14.9540 31.4690 22.5830 H 14 ARG14 0.0711 235 HD2 14.7890 31.9590 20.8960 H 14 ARG14 0.0711 236 HE 15.4480 29.8010 20.2070 H 14 ARG14 0.3153 237 HH11 16.3110 27.1640 22.1180 H 14 ARG14 0.3114 238 HH12 16.2020 27.8770 20.5240 H 14 ARG14 0.3114 239 HH21 15.2440 28.2100 23.8460 H 14 ARG14 0.3114 240 HH22 14.4220 29.6970 23.5890 H 14 ARG14 0.3114 241 N 10.0320 32.3420 21.4820 N.am 15 ARG15 -0.2457 242 CA 9.3700 32.9740 22.6230 C.3 15 ARG15 0.0879 243 C 7.9390 32.5080 22.7570 C.2 15 ARG15 0.2187 244 O 7.4710 32.3160 23.8710 O.2 15 ARG15 -0.2778 245 CB 9.4600 34.4950 22.4320 C.3 15 ARG15 -0.0258 246 CG 9.1520 35.3260 23.6880 C.3 15 ARG15 -0.0154 247 CD 10.2970 35.3550 24.7170 C.3 15 ARG15 0.1045 248 NE 10.0800 34.3820 25.7890 N.pl3 15 ARG15 -0.4450 249 CZ 10.8190 33.3040 26.0440 C.cat 15 ARG15 0.5062 250 NH1 11.8150 32.9370 25.2870 N.pl3 15 ARG15 -0.4573 251 NH2 10.5390 32.5810 27.0870 N.pl3 15 ARG15 -0.4573 252 H 10.3760 32.9230 20.7180 H 15 ARG15 0.1312 253 HA 9.9150 32.6500 23.5060 H 15 ARG15 0.0557 254 HB1 8.7860 34.7930 21.6270 H 15 ARG15 0.0286 255 HB2 10.4580 34.7550 22.0760 H 15 ARG15 0.0286 256 HG1 8.2170 35.0080 24.1490 H 15 ARG15 0.0299 257 HG2 8.9790 36.3520 23.3580 H 15 ARG15 0.0299 258 HD1 10.3210 36.3290 25.2110 H 15 ARG15 0.0711 259 HD2 11.2760 35.2190 24.2520 H 15 ARG15 0.0711 260 HE 9.3100 34.5010 26.4110 H 15 ARG15 0.3153 261 HH11 12.2670 32.0550 25.5030 H 15 ARG15 0.3114 262 HH12 12.1250 33.4730 24.5140 H 15 ARG15 0.3114 263 HH21 11.1050 31.7570 27.2180 H 15 ARG15 0.3114 264 HH22 9.8140 32.8010 27.7280 H 15 ARG15 0.3114 265 N 7.2420 32.3780 21.6290 N.am 16 GLU16 -0.2456 266 CA 5.8450 31.9070 21.6300 C.3 16 GLU16 0.0883 267 C 5.8030 30.4210 22.1310 C.2 16 GLU16 0.2187 268 O 4.9420 30.0690 22.9560 O.2 16 GLU16 -0.2778 269 CB 5.1900 32.0980 20.2550 C.3 16 GLU16 -0.0193 270 CG 3.7250 31.6170 20.1910 C.3 16 GLU16 0.0356 271 CD 2.8120 32.1970 21.2920 C.2 16 GLU16 0.1760 272 OE1 1.8080 31.5730 21.6160 O.co2 16 GLU16 -0.6478 273 OE2 3.0890 33.2620 21.8370 O.co2 16 GLU16 -0.6478 274 H 7.6870 32.6110 20.7410 H 16 GLU16 0.1312 275 HA 5.3290 32.5110 22.3760 H 16 GLU16 0.0557 276 HB1 5.7750 31.5800 19.4940 H 16 GLU16 0.0290 277 HB2 5.2270 33.1560 19.9960 H 16 GLU16 0.0290 278 HG1 3.6900 30.5300 20.2640 H 16 GLU16 0.0374 279 HG2 3.2890 31.8780 19.2280 H 16 GLU16 0.0374 280 N 6.7290 29.5900 21.6440 N.am 17 SER17 -0.2436 281 CA 6.7840 28.2060 22.1080 C.3 17 SER17 0.1109 282 C 6.9820 28.2020 23.6300 C.2 17 SER17 0.2209 283 O 6.3500 27.4070 24.3560 O.2 17 SER17 -0.2777 284 CB 7.7970 27.3380 21.3520 C.3 17 SER17 0.0681 285 OG 9.1480 27.6990 21.5940 O.3 17 SER17 -0.3930 286 H 7.3970 29.9220 20.9480 H 17 SER17 0.1312 287 HA 5.7910 27.7960 21.9230 H 17 SER17 0.0580 288 HB1 7.5730 27.4060 20.2820 H 17 SER17 0.0577 289 HB2 7.6400 26.3010 21.6670 H 17 SER17 0.0577 290 HG 9.7460 27.1460 21.1030 H 17 SER17 0.2095 291 N 7.8390 29.0950 24.1400 N.am 18 GLU18 -0.2456 292 CA 8.0510 29.1620 25.5850 C.3 18 GLU18 0.0883 293 C 6.8080 29.6950 26.3070 C.2 18 GLU18 0.2187 294 O 6.4860 29.2460 27.4050 O.2 18 GLU18 -0.2778 295 CB 9.3470 29.9450 25.8550 C.3 18 GLU18 -0.0193 296 CG 10.6100 29.2210 25.3210 C.3 18 GLU18 0.0356 297 CD 11.9120 30.0230 25.5520 C.2 18 GLU18 0.1760 298 OE1 12.6920 30.2450 24.6280 O.co2 18 GLU18 -0.6478 299 OE2 12.1550 30.4540 26.6700 O.co2 18 GLU18 -0.6478 300 H 8.3440 29.7290 23.5200 H 18 GLU18 0.1312 301 HA 8.1940 28.1370 25.9320 H 18 GLU18 0.0557 302 HB1 9.4550 30.0970 26.9290 H 18 GLU18 0.0290 303 HB2 9.2650 30.9290 25.3930 H 18 GLU18 0.0290 304 HG1 10.5130 29.0210 24.2570 H 18 GLU18 0.0374 305 HG2 10.7240 28.2560 25.8120 H 18 GLU18 0.0374 306 N 6.1140 30.6510 25.7000 N.am 19 ARG19 -0.2457 307 CA 4.9200 31.1960 26.3400 C.3 19 ARG19 0.0879 308 C 3.8570 29.9770 26.5290 C.2 19 ARG19 0.2187 309 O 3.2820 29.7840 27.5930 O.2 19 ARG19 -0.2778 310 CB 4.3290 32.2780 25.4270 C.3 19 ARG19 -0.0258 311 CG 3.2050 33.0740 26.1070 C.3 19 ARG19 -0.0154 312 CD 2.3190 33.8230 25.1020 C.3 19 ARG19 0.1045 313 NE 1.6070 32.8880 24.2430 N.pl3 19 ARG19 -0.4450 314 CZ 0.6050 32.0970 24.5780 C.cat 19 ARG19 0.5062 315 NH1 0.1470 32.0440 25.7990 N.pl3 19 ARG19 -0.4573 316 NH2 0.0710 31.3540 23.6620 N.pl3 19 ARG19 -0.4573 317 H 6.4140 31.0030 24.7910 H 19 ARG19 0.1312 318 HA 5.2090 31.5920 27.3140 H 19 ARG19 0.0557 319 HB1 3.9680 31.8120 24.5100 H 19 ARG19 0.0286 320 HB2 5.1130 32.9670 25.1110 H 19 ARG19 0.0286 321 HG1 3.6440 33.7820 26.8080 H 19 ARG19 0.0299 322 HG2 2.5880 32.4070 26.7070 H 19 ARG19 0.0299 323 HD1 2.9240 34.4450 24.4370 H 19 ARG19 0.0711 324 HD2 1.5870 34.4700 25.5880 H 19 ARG19 0.0711 325 HE 1.8900 32.8010 23.2730 H 19 ARG19 0.3153 326 HH11 -0.6020 31.4310 26.0280 H 19 ARG19 0.3114 327 HH12 0.5700 32.6230 26.4880 H 19 ARG19 0.3114 328 HH21 -0.6970 30.7500 23.8250 H 19 ARG19 0.3114 329 HH22 0.4980 31.4130 22.7500 H 19 ARG19 0.3114 330 N 3.7390 29.1620 25.4950 N.am 20 LEU20 -0.2456 331 CA 2.8410 28.0350 25.5070 C.3 20 LEU20 0.0880 332 C 3.3050 26.9090 26.4620 C.2 20 LEU20 0.2187 333 O 2.4980 26.3400 27.2080 O.2 20 LEU20 -0.2778 334 CB 2.7830 27.4710 24.0720 C.3 20 LEU20 -0.0266 335 CG 2.1200 28.4050 23.0420 C.3 20 LEU20 -0.0449 336 CD1 2.5360 28.0310 21.6130 C.3 20 LEU20 -0.0626 337 CD2 0.5930 28.3610 23.1680 C.3 20 LEU20 -0.0626 338 H 4.3010 29.3360 24.6620 H 20 LEU20 0.1312 339 HA 1.8600 28.3830 25.8320 H 20 LEU20 0.0557 340 HB1 2.2510 26.5190 24.0610 H 20 LEU20 0.0287 341 HB2 3.8000 27.2480 23.7480 H 20 LEU20 0.0287 342 HG 2.4510 29.4300 23.2140 H 20 LEU20 0.0296 343 HD11 2.0630 28.6900 20.8840 H 20 LEU20 0.0232 344 HD12 2.2520 27.0050 21.3720 H 20 LEU20 0.0232 345 HD13 3.6120 28.1220 21.4790 H 20 LEU20 0.0232 346 HD21 0.1200 29.0070 22.4290 H 20 LEU20 0.0232 347 HD22 0.2620 28.6670 24.1590 H 20 LEU20 0.0232 348 HD23 0.2270 27.3520 22.9940 H 20 LEU20 0.0232 349 N 4.6040 26.6170 26.4720 N.am 21 LEU21 -0.2456 350 CA 5.1160 25.5380 27.3070 C.3 21 LEU21 0.0880 351 C 5.2380 25.8630 28.7390 C.2 21 LEU21 0.2187 352 O 5.1290 24.9830 29.5840 O.2 21 LEU21 -0.2778 353 CB 6.4560 25.0540 26.7200 C.3 21 LEU21 -0.0266 354 CG 6.3070 24.3090 25.3760 C.3 21 LEU21 -0.0449 355 CD1 7.6470 24.2330 24.6340 C.3 21 LEU21 -0.0626 356 CD2 5.7400 22.8930 25.5640 C.3 21 LEU21 -0.0626 357 H 5.2470 27.1540 25.8900 H 21 LEU21 0.1312 358 HA 4.3970 24.7200 27.2450 H 21 LEU21 0.0557 359 HB1 6.9720 24.3970 27.4220 H 21 LEU21 0.0287 360 HB2 7.1010 25.9220 26.5840 H 21 LEU21 0.0287 361 HG 5.6210 24.8700 24.7390 H 21 LEU21 0.0296 362 HD11 7.5210 23.7550 23.6630 H 21 LEU21 0.0232 363 HD12 8.3740 23.6490 25.1980 H 21 LEU21 0.0232 364 HD13 8.0630 25.2260 24.4650 H 21 LEU21 0.0232 365 HD21 5.6290 22.3850 24.6050 H 21 LEU21 0.0232 366 HD22 4.7620 22.9030 26.0430 H 21 LEU21 0.0232 367 HD23 6.4040 22.2840 26.1770 H 21 LEU21 0.0232 368 N 5.4560 27.1290 29.0660 N.am 22 LEU22 -0.2456 369 CA 5.5910 27.5240 30.4590 C.3 22 LEU22 0.0880 370 C 4.2910 27.6790 31.1670 C.2 22 LEU22 0.2187 371 O 4.0280 28.7210 31.7430 O.2 22 LEU22 -0.2778 372 CB 6.4280 28.8180 30.5280 C.3 22 LEU22 -0.0266 373 CG 7.9000 28.6310 30.1120 C.3 22 LEU22 -0.0449 374 CD1 8.5680 29.9860 29.8460 C.3 22 LEU22 -0.0626 375 CD2 8.6890 27.8490 31.1750 C.3 22 LEU22 -0.0626 376 H 5.5300 27.8340 28.3320 H 22 LEU22 0.1312 377 HA 6.1350 26.7330 30.9760 H 22 LEU22 0.0557 378 HB1 6.4180 29.2320 31.5380 H 22 LEU22 0.0287 379 HB2 5.9560 29.5700 29.8930 H 22 LEU22 0.0287 380 HG 7.9350 28.0710 29.1780 H 22 LEU22 0.0296 381 HD11 9.5960 29.8550 29.5080 H 22 LEU22 0.0232 382 HD12 8.5860 30.5990 30.7480 H 22 LEU22 0.0232 383 HD13 8.0360 30.5430 29.0740 H 22 LEU22 0.0232 384 HD21 9.7470 27.8070 30.9180 H 22 LEU22 0.0232 385 HD22 8.3340 26.8230 31.2700 H 22 LEU22 0.0232 386 HD23 8.6100 28.3220 32.1540 H 22 LEU22 0.0232 387 N 3.4140 26.6990 31.0360 N.am 23 ASN23 -0.2452 388 CA 2.1130 26.7180 31.7070 C.3 23 ASN23 0.0957 389 C 2.2220 25.6460 32.8420 C.2 23 ASN23 0.2191 390 O 2.6540 24.5210 32.5890 O.2 23 ASN23 -0.2778 391 CB 0.9830 26.3990 30.7160 C.3 23 ASN23 0.0446 392 CG -0.3400 26.9680 31.2390 C.2 23 ASN23 0.2000 393 OD1 -0.4730 28.1680 31.4410 O.2 23 ASN23 -0.2797 394 ND2 -1.2910 26.0490 31.4480 N.am 23 ASN23 -0.2723 395 H 3.6520 25.9010 30.4470 H 23 ASN23 0.1312 396 HA 1.9650 27.7000 32.1620 H 23 ASN23 0.0562 397 HB1 0.8830 25.3290 30.5390 H 23 ASN23 0.0375 398 HB2 1.1820 26.8710 29.7540 H 23 ASN23 0.0375 399 HD21 -2.1890 26.3040 31.8160 H 23 ASN23 0.1266 400 HD22 -1.1650 25.0770 31.2540 H 23 ASN23 0.1266 401 N 1.8900 26.0230 34.0720 N.am 24 ALA24 -0.2459 402 CA 1.9680 25.1300 35.2180 C.3 24 ALA24 0.0850 403 C 1.2140 23.8100 35.0250 C.2 24 ALA24 0.2184 404 O 1.4880 22.8290 35.7260 O.2 24 ALA24 -0.2778 405 CB 1.4270 25.8660 36.4480 C.3 24 ALA24 -0.0411 406 H 1.5670 26.9790 34.2190 H 24 ALA24 0.1312 407 HA 3.0230 24.8920 35.3570 H 24 ALA24 0.0554 408 HB1 1.5160 25.2560 37.3480 H 24 ALA24 0.0249 409 HB2 0.3750 26.1260 36.3220 H 24 ALA24 0.0249 410 HB3 1.9780 26.7910 36.6190 H 24 ALA24 0.0249 411 N 0.2340 23.8090 34.1300 N.am 25 GLU25 -0.2456 412 CA -0.5360 22.6070 33.8540 C.3 25 GLU25 0.0883 413 C 0.1700 21.6410 32.9780 C.2 25 GLU25 0.2187 414 O -0.2600 20.4930 32.8510 O.2 25 GLU25 -0.2778 415 CB -1.8680 23.0160 33.2060 C.3 25 GLU25 -0.0193 416 CG -2.6700 24.0050 34.0660 C.3 25 GLU25 0.0356 417 CD -3.9700 24.3890 33.3580 C.2 25 GLU25 0.1760 418 OE1 -4.9800 23.7300 33.5900 O.co2 25 GLU25 -0.6478 419 OE2 -3.9540 25.3430 32.5840 O.co2 25 GLU25 -0.6478 420 H 0.0170 24.6690 33.6260 H 25 GLU25 0.1312 421 HA -0.7410 22.1140 34.8060 H 25 GLU25 0.0557 422 HB1 -2.4800 22.1290 33.0280 H 25 GLU25 0.0290 423 HB2 -1.6830 23.4560 32.2260 H 25 GLU25 0.0290 424 HG1 -2.1100 24.9200 34.2550 H 25 GLU25 0.0374 425 HG2 -2.9140 23.5680 35.0340 H 25 GLU25 0.0374 426 N 1.2920 22.0440 32.3870 N.am 26 ASN26 -0.2452 427 CA 1.9950 21.1370 31.4820 C.3 26 ASN26 0.0959 428 C 2.9110 20.1470 32.2050 C.2 26 ASN26 0.2218 429 O 3.7730 20.5540 32.9760 O.2 26 ASN26 -0.2776 430 CB 2.8710 21.9770 30.5290 C.3 26 ASN26 0.0446 431 CG 2.0390 22.6200 29.4090 C.2 26 ASN26 0.2000 432 OD1 1.1090 22.0310 28.8780 O.2 26 ASN26 -0.2797 433 ND2 2.4320 23.8560 29.0750 N.am 26 ASN26 -0.2723 434 H 1.6590 22.9790 32.5640 H 26 ASN26 0.1312 435 HA 1.2500 20.5970 30.8990 H 26 ASN26 0.0562 436 HB1 3.6330 21.3710 30.0410 H 26 ASN26 0.0375 437 HB2 3.4100 22.7470 31.0780 H 26 ASN26 0.0375 438 HD21 1.9610 24.3480 28.3430 H 26 ASN26 0.1266 439 HD22 3.1910 24.3000 29.5500 H 26 ASN26 0.1266 440 N 2.7030 18.8350 32.0110 N.am 27 PRO27 -0.2316 441 CA 3.5870 17.8800 32.6980 C.3 27 PRO27 0.0907 442 HA 3.7284 18.2034 33.7307 H 27 PRO27 0.0559 443 C 4.9740 17.8320 31.9090 C.2 27 PRO27 0.2189 444 O 5.0660 18.3480 30.7660 O.2 27 PRO27 -0.2778 445 CB 2.8383 16.5410 32.6114 C.3 27 PRO27 -0.0276 446 HB1 2.8647 15.9905 33.5516 H 27 PRO27 0.0285 447 HB2 3.2715 15.8993 31.8420 H 27 PRO27 0.0285 448 CG 1.4170 16.9127 32.1994 C.3 27 PRO27 -0.0379 449 HG1 0.8320 17.1719 33.0829 H 27 PRO27 0.0278 450 HG2 0.9015 16.1050 31.6797 H 27 PRO27 0.0278 451 CD 1.5954 18.1525 31.3301 C.3 27 PRO27 0.0071 452 HD1 1.9118 17.8166 30.3494 H 27 PRO27 0.0431 453 HD2 0.6785 18.7366 31.2933 H 27 PRO27 0.0431 454 N 5.9950 17.2060 32.4960 N.am 28 ARG28 -0.2456 455 CA 7.2620 17.1070 31.8000 C.3 28 ARG28 0.0879 456 C 7.0580 16.4320 30.4740 C.2 28 ARG28 0.2185 457 O 6.2260 15.5390 30.3420 O.2 28 ARG28 -0.2778 458 CB 8.3270 16.3390 32.6010 C.3 28 ARG28 -0.0258 459 CG 8.7230 17.0360 33.9040 C.3 28 ARG28 -0.0154 460 CD 9.8940 16.3500 34.6250 C.3 28 ARG28 0.1045 461 NE 11.1820 16.6290 33.9770 N.pl3 28 ARG28 -0.4450 462 CZ 12.3620 16.3190 34.5100 C.cat 28 ARG28 0.5062 463 NH1 12.4430 15.6810 35.6460 N.pl3 28 ARG28 -0.4573 464 NH2 13.4640 16.6510 33.9050 N.pl3 28 ARG28 -0.4573 465 H 5.8850 16.8010 33.4260 H 28 ARG28 0.1312 466 HA 7.6000 18.1300 31.6150 H 28 ARG28 0.0557 467 HB1 9.2230 16.2340 31.9860 H 28 ARG28 0.0286 468 HB2 7.9780 15.3280 32.8140 H 28 ARG28 0.0286 469 HG1 7.8600 17.0560 34.5690 H 28 ARG28 0.0299 470 HG2 8.9680 18.0760 33.7010 H 28 ARG28 0.0299 471 HD1 9.7540 15.2680 34.6530 H 28 ARG28 0.0711 472 HD2 9.9440 16.7160 35.6520 H 28 ARG28 0.0711 473 HE 11.2920 17.0850 33.0860 H 28 ARG28 0.3153 474 HH11 13.3350 15.4460 36.0160 H 28 ARG28 0.3114 475 HH12 11.6040 15.4500 36.1260 H 28 ARG28 0.3114 476 HH21 14.3610 16.3950 34.2380 H 28 ARG28 0.3114 477 HH22 13.3950 17.2050 33.0630 H 28 ARG28 0.3114 478 N 7.7910 16.8690 29.4640 N.am 29 GLY29 -0.2485 479 CA 7.6720 16.2540 28.1610 C.3 29 GLY29 0.0765 480 C 6.6260 16.8180 27.2240 C.2 29 GLY29 0.2156 481 O 6.4730 16.3310 26.1100 O.2 29 GLY29 -0.2781 482 H 8.4420 17.6420 29.6040 H 29 GLY29 0.1309 483 HA1 7.5060 15.1830 28.2780 H 29 GLY29 0.0521 484 HA2 8.6450 16.3690 27.6870 H 29 GLY29 0.0521 485 N 5.8820 17.8290 27.6790 N.am 30 THR30 -0.2436 486 CA 4.9160 18.4940 26.8040 C.3 30 THR30 0.1135 487 C 5.7950 19.0970 25.6670 C.2 30 THR30 0.2212 488 O 6.8390 19.7200 25.9220 O.2 30 THR30 -0.2777 489 CB 4.0450 19.5270 27.5300 C.3 30 THR30 0.0763 490 OG1 3.3270 18.8390 28.5420 O.3 30 THR30 -0.3900 491 CG2 3.0820 20.2130 26.5550 C.3 30 THR30 -0.0370 492 H 5.9880 18.1400 28.6450 H 30 THR30 0.1312 493 HA 4.2870 17.7010 26.4110 H 30 THR30 0.0583 494 HB 4.6880 20.2820 27.9830 H 30 THR30 0.0611 495 HG1 2.6440 19.3880 28.9070 H 30 THR30 0.2098 496 HG21 2.4930 20.9930 27.0360 H 30 THR30 0.0255 497 HG22 2.3940 19.4890 26.1160 H 30 THR30 0.0255 498 HG23 3.6260 20.6930 25.7420 H 30 THR30 0.0255 499 N 5.3720 18.9370 24.4320 N.am 31 PHE31 -0.2453 500 CA 6.2170 19.3830 23.3570 C.3 31 PHE31 0.0917 501 C 5.5190 19.8940 22.0860 C.2 31 PHE31 0.2190 502 O 4.2880 19.7800 21.9120 O.2 31 PHE31 -0.2778 503 CB 7.1470 18.2070 22.9750 C.3 31 PHE31 -0.0036 504 CG 6.4390 17.1470 22.1580 C.ar 31 PHE31 -0.0454 505 CD1 6.6470 17.0650 20.7820 C.ar 31 PHE31 -0.0585 506 CD2 5.5200 16.2840 22.7490 C.ar 31 PHE31 -0.0585 507 CE1 5.9420 16.1480 20.0130 C.ar 31 PHE31 -0.0615 508 CE2 4.8080 15.3710 21.9810 C.ar 31 PHE31 -0.0615 509 CZ 5.0180 15.3040 20.6110 C.ar 31 PHE31 -0.0617 510 H 4.4670 18.5070 24.2410 H 31 PHE31 0.1312 511 HA 6.8040 20.2300 23.7090 H 31 PHE31 0.0560 512 HB1 7.5580 17.7480 23.8750 H 31 PHE31 0.0333 513 HB2 8.0050 18.5760 22.4130 H 31 PHE31 0.0333 514 HD1 7.3390 17.7370 20.2980 H 31 PHE31 0.0620 515 HD2 5.3330 16.3300 23.8120 H 31 PHE31 0.0620 516 HE1 6.0970 16.1020 18.9440 H 31 PHE31 0.0618 517 HE2 4.0840 14.7210 22.4510 H 31 PHE31 0.0618 518 HZ 4.4560 14.6040 20.0090 H 31 PHE31 0.0618 519 N 6.3430 20.4440 21.2030 N.am 32 LEU32 -0.2456 520 CA 5.9450 20.9260 19.8940 C.3 32 LEU32 0.0880 521 C 7.1900 20.9420 19.0140 C.2 32 LEU32 0.2187 522 O 8.3180 20.8940 19.5070 O.2 32 LEU32 -0.2778 523 CB 5.2340 22.2900 19.9670 C.3 32 LEU32 -0.0266 524 CG 6.0360 23.4720 20.5520 C.3 32 LEU32 -0.0449 525 CD1 7.0490 24.0470 19.5430 C.3 32 LEU32 -0.0626 526 CD2 5.0670 24.5750 21.0050 C.3 32 LEU32 -0.0626 527 H 7.3250 20.5340 21.4630 H 32 LEU32 0.1312 528 HA 5.2630 20.1780 19.4810 H 32 LEU32 0.0557 529 HB1 4.3280 22.1490 20.5580 H 32 LEU32 0.0287 530 HB2 4.8920 22.5600 18.9710 H 32 LEU32 0.0287 531 HG 6.5740 23.1340 21.4380 H 32 LEU32 0.0296 532 HD11 7.4440 25.0030 19.8780 H 32 LEU32 0.0232 533 HD12 6.5860 24.2090 18.5690 H 32 LEU32 0.0232 534 HD13 7.9090 23.3960 19.4000 H 32 LEU32 0.0232 535 HD21 5.5940 25.4120 21.4600 H 32 LEU32 0.0232 536 HD22 4.3630 24.1990 21.7470 H 32 LEU32 0.0232 537 HD23 4.4870 24.9620 20.1660 H 32 LEU32 0.0232 538 N 6.9570 20.9270 17.7210 N.am 33 VAL33 -0.2454 539 CA 8.0060 20.9950 16.7240 C.3 33 VAL33 0.0901 540 C 7.6730 22.2380 15.9310 C.2 33 VAL33 0.2189 541 O 6.5200 22.4970 15.5930 O.2 33 VAL33 -0.2778 542 CB 8.1290 19.7110 15.8910 C.3 33 VAL33 -0.0227 543 CG1 9.3280 19.8110 14.9350 C.3 33 VAL33 -0.0608 544 CG2 8.2920 18.4800 16.7980 C.3 33 VAL33 -0.0608 545 H 5.9900 20.8640 17.4040 H 33 VAL33 0.1312 546 HA 8.9500 21.1690 17.2380 H 33 VAL33 0.0560 547 HB 7.2200 19.5830 15.3040 H 33 VAL33 0.0315 548 HG11 9.5050 18.8660 14.4270 H 33 VAL33 0.0233 549 HG12 10.2430 20.0590 15.4760 H 33 VAL33 0.0233 550 HG13 9.1750 20.5780 14.1760 H 33 VAL33 0.0233 551 HG21 8.4180 17.5710 16.2090 H 33 VAL33 0.0233 552 HG22 7.4240 18.3310 17.4400 H 33 VAL33 0.0233 553 HG23 9.1670 18.5840 17.4390 H 33 VAL33 0.0233 554 N 8.6630 23.0750 15.7120 N.am 34 ARG34 -0.2456 555 CA 8.4470 24.3150 14.9570 C.3 34 ARG34 0.0879 556 C 9.6490 24.5150 14.0420 C.2 34 ARG34 0.2187 557 O 10.6340 23.7780 14.1410 O.2 34 ARG34 -0.2778 558 CB 8.4240 25.4840 15.9690 C.3 34 ARG34 -0.0258 559 CG 9.7540 25.6330 16.7500 C.3 34 ARG34 -0.0154 560 CD 9.8470 26.8970 17.6060 C.3 34 ARG34 0.1045 561 NE 11.2650 27.2070 17.8540 N.pl3 34 ARG34 -0.4450 562 CZ 11.8780 28.3180 17.4410 C.cat 34 ARG34 0.5062 563 NH1 13.1390 28.5380 17.6990 N.pl3 34 ARG34 -0.4573 564 NH2 11.2470 29.2370 16.7730 N.pl3 34 ARG34 -0.4573 565 H 9.5930 22.8600 16.0710 H 34 ARG34 0.1312 566 HA 7.5370 24.2570 14.3550 H 34 ARG34 0.0557 567 HB1 7.5980 25.3440 16.6670 H 34 ARG34 0.0286 568 HB2 8.2100 26.4130 15.4380 H 34 ARG34 0.0286 569 HG1 10.5870 25.6740 16.0520 H 34 ARG34 0.0299 570 HG2 9.9320 24.7560 17.3740 H 34 ARG34 0.0299 571 HD1 9.3540 26.7570 18.5670 H 34 ARG34 0.0711 572 HD2 9.3460 27.7320 17.1170 H 34 ARG34 0.0711 573 HE 11.8630 26.5910 18.3610 H 34 ARG34 0.3153 574 HH11 13.4750 29.4580 17.4690 H 34 ARG34 0.3114 575 HH12 13.7940 27.8980 18.1030 H 34 ARG34 0.3114 576 HH21 11.7410 30.1030 16.6390 H 34 ARG34 0.3114 577 HH22 10.3230 29.1140 16.4220 H 34 ARG34 0.3114 578 N 9.5520 25.4380 13.0960 N.am 35 GLU35 -0.2456 579 CA 10.6840 25.7110 12.2340 C.3 35 GLU35 0.0883 580 C 11.7310 26.4380 13.0860 C.2 35 GLU35 0.2187 581 O 11.4070 27.0850 14.0870 O.2 35 GLU35 -0.2778 582 CB 10.2080 26.5970 11.0780 C.3 35 GLU35 -0.0193 583 CG 9.1810 25.8900 10.1760 C.3 35 GLU35 0.0356 584 CD 8.6080 26.8720 9.1460 C.2 35 GLU35 0.1760 585 OE1 7.3950 27.0450 9.0750 O.co2 35 GLU35 -0.6478 586 OE2 9.3680 27.4880 8.4050 O.co2 35 GLU35 -0.6478 587 H 8.6810 25.9550 12.9750 H 35 GLU35 0.1312 588 HA 11.0900 24.7680 11.8640 H 35 GLU35 0.0557 589 HB1 11.0620 26.9090 10.4740 H 35 GLU35 0.0290 590 HB2 9.7680 27.5100 11.4840 H 35 GLU35 0.0290 591 HG1 8.3560 25.4840 10.7600 H 35 GLU35 0.0374 592 HG2 9.6410 25.0570 9.6440 H 35 GLU35 0.0374 593 N 12.9980 26.2620 12.7360 N.am 36 SER36 -0.2436 594 CA 14.0700 26.9480 13.4450 C.3 36 SER36 0.1109 595 C 13.9750 28.4680 12.9990 C.2 36 SER36 0.2209 596 O 13.6860 28.7550 11.8360 O.2 36 SER36 -0.2777 597 CB 15.4100 26.3660 12.9720 C.3 36 SER36 0.0681 598 OG 16.5340 27.1140 13.4070 O.3 36 SER36 -0.3930 599 H 13.2250 25.6390 11.9610 H 36 SER36 0.1312 600 HA 13.9250 26.8510 14.5220 H 36 SER36 0.0580 601 HB1 15.4310 26.2960 11.8790 H 36 SER36 0.0577 602 HB2 15.5150 25.3450 13.3430 H 36 SER36 0.0577 603 HG 16.3420 28.0420 13.2900 H 36 SER36 0.2095 604 N 14.2160 29.3980 13.9180 N.am 37 GLU37 -0.2456 605 CA 14.1910 30.8340 13.5780 C.3 37 GLU37 0.0883 606 C 15.4310 31.2710 12.7320 C.2 37 GLU37 0.2188 607 O 15.3730 32.2250 11.9510 O.2 37 GLU37 -0.2778 608 CB 14.1150 31.6970 14.8340 C.3 37 GLU37 -0.0193 609 CG 12.6550 31.9630 15.2190 C.3 37 GLU37 0.0356 610 CD 12.5170 32.0920 16.7260 C.2 37 GLU37 0.1760 611 OE1 13.0270 31.2270 17.4250 O.co2 37 GLU37 -0.6478 612 OE2 11.8960 33.0290 17.1990 O.co2 37 GLU37 -0.6478 613 H 14.4220 29.1140 14.8760 H 37 GLU37 0.1312 614 HA 13.3140 31.0090 12.9510 H 37 GLU37 0.0557 615 HB1 14.5980 32.6660 14.6960 H 37 GLU37 0.0290 616 HB2 14.6830 31.1990 15.6210 H 37 GLU37 0.0290 617 HG1 12.0100 31.1410 14.9100 H 37 GLU37 0.0374 618 HG2 12.2800 32.8630 14.7310 H 37 GLU37 0.0374 619 N 16.5190 30.5230 12.8600 N.am 38 THR38 -0.2434 620 CA 17.7240 30.9120 12.1650 C.3 38 THR38 0.1135 621 C 18.4060 29.9370 11.2410 C.2 38 THR38 0.2213 622 O 19.3010 30.3300 10.4900 O.2 38 THR38 -0.2777 623 CB 18.7520 31.2970 13.2540 C.3 38 THR38 0.0763 624 OG1 19.0740 30.1450 14.0300 O.3 38 THR38 -0.3900 625 CG2 18.2290 32.4330 14.1550 C.3 38 THR38 -0.0370 626 H 16.5050 29.6850 13.4410 H 38 THR38 0.1313 627 HA 17.5460 31.7960 11.5510 H 38 THR38 0.0583 628 HB 19.6570 31.6590 12.7510 H 38 THR38 0.0611 629 HG1 19.6770 30.3870 14.7270 H 38 THR38 0.2098 630 HG21 19.0110 32.8270 14.8040 H 38 THR38 0.0255 631 HG22 17.4090 32.1000 14.7920 H 38 THR38 0.0255 632 HG23 17.8620 33.2660 13.5540 H 38 THR38 0.0255 633 N 18.0080 28.6720 11.2740 N.am 39 THR39 -0.2433 634 CA 18.6280 27.6950 10.3960 C.3 39 THR39 0.1135 635 C 17.6510 27.1570 9.3830 C.2 39 THR39 0.2212 636 O 16.7600 26.3400 9.6980 O.2 39 THR39 -0.2777 637 CB 19.0870 26.5500 11.3350 C.3 39 THR39 0.0763 638 OG1 19.7220 27.0020 12.5210 O.3 39 THR39 -0.3900 639 CG2 19.9760 25.5170 10.6300 C.3 39 THR39 -0.0370 640 H 17.2680 28.3860 11.9150 H 39 THR39 0.1313 641 HA 19.4890 28.1200 9.8770 H 39 THR39 0.0583 642 HB 18.1900 26.0510 11.6950 H 39 THR39 0.0611 643 HG1 20.4120 27.6130 12.2780 H 39 THR39 0.2098 644 HG21 20.2570 24.7170 11.3160 H 39 THR39 0.0255 645 HG22 20.8910 25.9710 10.2510 H 39 THR39 0.0255 646 HG23 19.4580 25.0610 9.7860 H 39 THR39 0.0255 647 N 17.7930 27.6550 8.1560 N.am 40 LYS40 -0.2456 648 CA 16.9250 27.2500 7.0610 C.3 40 LYS40 0.0878 649 C 16.8930 25.6990 6.9730 C.2 40 LYS40 0.2185 650 O 17.9460 25.0350 7.0460 O.2 40 LYS40 -0.2778 651 CB 17.4930 27.8210 5.7390 C.3 40 LYS40 -0.0289 652 CG 16.9130 27.2300 4.4260 C.3 40 LYS40 -0.0496 653 CD 17.7070 26.0270 3.8600 C.3 40 LYS40 -0.0278 654 CE 17.1800 25.5190 2.5060 C.3 40 LYS40 0.1103 655 NZ 17.9240 24.3650 1.9760 N.4 40 LYS40 -0.0749 656 H 18.5300 28.3380 7.9790 H 40 LYS40 0.1312 657 HA 15.9240 27.6310 7.2710 H 40 LYS40 0.0557 658 HB1 18.5790 27.7100 5.7270 H 40 LYS40 0.0285 659 HB2 17.3150 28.8970 5.7480 H 40 LYS40 0.0285 660 HG1 16.9250 28.0180 3.6710 H 40 LYS40 0.0266 661 HG2 15.8620 26.9710 4.5630 H 40 LYS40 0.0266 662 HD1 17.6920 25.1970 4.5630 H 40 LYS40 0.0282 663 HD2 18.7540 26.3120 3.7540 H 40 LYS40 0.0282 664 HE1 17.2260 26.3190 1.7630 H 40 LYS40 0.0559 665 HE2 16.1310 25.2300 2.5980 H 40 LYS40 0.0559 666 HZ1 17.5210 24.0620 1.0650 H 40 LYS40 0.2742 667 HZ2 17.8740 23.5660 2.6410 H 40 LYS40 0.2742 668 HZ3 18.9240 24.6170 1.8300 H 40 LYS40 0.2742 669 N 15.6960 25.1290 6.9060 N.am 41 GLY41 -0.2485 670 CA 15.5800 23.6900 6.7840 C.3 41 GLY41 0.0765 671 C 15.8440 22.8650 8.0320 C.2 41 GLY41 0.2155 672 O 16.0000 21.6600 7.9290 O.2 41 GLY41 -0.2781 673 H 14.8550 25.7060 6.9410 H 41 GLY41 0.1309 674 HA1 16.2410 23.3540 5.9850 H 41 GLY41 0.0521 675 HA2 14.5550 23.4960 6.4690 H 41 GLY41 0.0521 676 N 15.9760 23.5060 9.1860 N.am 42 ALA42 -0.2462 677 CA 16.1530 22.7540 10.4190 C.3 42 ALA42 0.0850 678 C 14.9450 23.1110 11.2360 C.2 42 ALA42 0.2184 679 O 14.2690 24.0890 10.9350 O.2 42 ALA42 -0.2778 680 CB 17.4480 23.1420 11.1300 C.3 42 ALA42 -0.0411 681 H 15.9530 24.5250 9.2090 H 42 ALA42 0.1311 682 HA 16.1280 21.6780 10.2340 H 42 ALA42 0.0554 683 HB1 17.5950 22.5460 12.0310 H 42 ALA42 0.0249 684 HB2 17.4180 24.1850 11.4250 H 42 ALA42 0.0249 685 HB3 18.3090 22.9910 10.4810 H 42 ALA42 0.0249 686 N 14.6390 22.2970 12.2360 N.am 43 TYR43 -0.2453 687 CA 13.5000 22.5190 13.1090 C.3 43 TYR43 0.0917 688 C 13.9220 22.5470 14.5240 C.2 43 TYR43 0.2190 689 O 15.0740 22.2960 14.8410 O.2 43 TYR43 -0.2778 690 CB 12.4820 21.3740 12.9040 C.3 43 TYR43 -0.0036 691 CG 12.1820 21.1040 11.4530 C.ar 43 TYR43 -0.0453 692 CD1 12.8890 20.1250 10.7580 C.ar 43 TYR43 -0.0561 693 CD2 11.1920 21.8210 10.7880 C.ar 43 TYR43 -0.0561 694 CE1 12.6220 19.8790 9.4180 C.ar 43 TYR43 -0.0317 695 CE2 10.9230 21.5730 9.4480 C.ar 43 TYR43 -0.0317 696 CZ 11.6400 20.6030 8.7620 C.ar 43 TYR43 0.0726 697 OH 11.3760 20.3540 7.4300 O.3 43 TYR43 -0.3598 698 H 15.2280 21.4800 12.3990 H 43 TYR43 0.1312 699 HA 13.0360 23.4780 12.8720 H 43 TYR43 0.0560 700 HB1 11.5450 21.5900 13.4200 H 43 TYR43 0.0333 701 HB2 12.8510 20.4480 13.3430 H 43 TYR43 0.0333 702 HD1 13.6610 19.5580 11.2590 H 43 TYR43 0.0621 703 HD2 10.6200 22.5730 11.3120 H 43 TYR43 0.0621 704 HE1 13.1730 19.1240 8.8810 H 43 TYR43 0.0643 705 HE2 10.1550 22.1350 8.9380 H 43 TYR43 0.0643 706 HH 10.6170 20.8610 7.1680 H 43 TYR43 0.2173 707 N 12.9990 22.8590 15.4220 N.am 44 CYS44 -0.2449 708 CA 13.3110 22.8340 16.8230 C.3 44 CYS44 0.0965 709 C 12.2590 22.0460 17.4600 C.2 44 CYS44 0.2195 710 O 11.0900 22.1570 17.0880 O.2 44 CYS44 -0.2778 711 CB 13.3740 24.2620 17.3710 C.3 44 CYS44 0.0147 712 SG 14.6790 25.2100 16.5560 S.3 44 CYS44 -0.1762 713 H 12.0610 23.1190 15.1160 H 44 CYS44 0.1312 714 HA 14.2650 22.3410 16.9810 H 44 CYS44 0.0565 715 HB1 13.5690 24.2490 18.4440 H 44 CYS44 0.0394 716 HB2 12.4230 24.7710 17.2200 H 44 CYS44 0.0394 717 HG 14.8970 26.3620 17.2020 H 44 CYS44 0.1017 718 N 12.6620 21.1940 18.3910 N.am 45 LEU45 -0.2456 719 CA 11.7510 20.4070 19.1910 C.3 45 LEU45 0.0880 720 C 11.7970 21.1340 20.5520 C.2 45 LEU45 0.2187 721 O 12.8110 21.0840 21.2430 O.2 45 LEU45 -0.2778 722 CB 12.2920 18.9690 19.2440 C.3 45 LEU45 -0.0266 723 CG 11.7180 18.0650 20.3480 C.3 45 LEU45 -0.0449 724 CD1 10.1980 17.8930 20.2340 C.3 45 LEU45 -0.0626 725 CD2 12.4260 16.7030 20.3370 C.3 45 LEU45 -0.0626 726 H 13.6640 21.0880 18.5510 H 45 LEU45 0.1312 727 HA 10.7410 20.4420 18.7780 H 45 LEU45 0.0557 728 HB1 13.3750 19.0040 19.3540 H 45 LEU45 0.0287 729 HB2 12.1070 18.5110 18.2760 H 45 LEU45 0.0287 730 HG 11.9340 18.5250 21.3100 H 45 LEU45 0.0296 731 HD11 9.8170 17.2650 21.0390 H 45 LEU45 0.0232 732 HD12 9.9220 17.4220 19.2910 H 45 LEU45 0.0232 733 HD13 9.6820 18.8510 20.2990 H 45 LEU45 0.0232 734 HD21 12.0670 16.0610 21.1400 H 45 LEU45 0.0232 735 HD22 13.5010 16.8210 20.4730 H 45 LEU45 0.0232 736 HD23 12.2620 16.1780 19.3950 H 45 LEU45 0.0232 737 N 10.7110 21.8240 20.9150 N.am 46 SER46 -0.2436 738 CA 10.6320 22.5590 22.1710 C.3 46 SER46 0.1109 739 C 9.9190 21.6930 23.1880 C.2 46 SER46 0.2209 740 O 8.7700 21.2660 22.9820 O.2 46 SER46 -0.2777 741 CB 9.8830 23.8830 21.9630 C.3 46 SER46 0.0681 742 OG 10.4950 24.6390 20.9210 O.3 46 SER46 -0.3930 743 H 9.9060 21.8360 20.2880 H 46 SER46 0.1312 744 HA 11.6440 22.7760 22.5160 H 46 SER46 0.0580 745 HB1 9.8870 24.4410 22.9080 H 46 SER46 0.0577 746 HB2 8.8420 23.6810 21.6940 H 46 SER46 0.0577 747 HG 10.1680 25.5320 20.9120 H 46 SER46 0.2095 748 N 10.5750 21.4600 24.3150 N.am 47 VAL47 -0.2453 749 CA 10.0690 20.5450 25.3250 C.3 47 VAL47 0.0901 750 C 10.0080 21.1230 26.6740 C.2 47 VAL47 0.2190 751 O 10.9610 21.7890 27.1030 O.2 47 VAL47 -0.2778 752 CB 10.9260 19.2520 25.3210 C.3 47 VAL47 -0.0227 753 CG1 10.2680 18.1230 26.1350 C.3 47 VAL47 -0.0608 754 CG2 11.2110 18.7440 23.8980 C.3 47 VAL47 -0.0608 755 H 11.4620 21.9370 24.4790 H 47 VAL47 0.1312 756 HA 9.0490 20.2680 25.0540 H 47 VAL47 0.0560 757 HB 11.8940 19.4720 25.7750 H 47 VAL47 0.0315 758 HG11 10.8620 17.2100 26.0960 H 47 VAL47 0.0233 759 HG12 9.2740 17.8880 25.7500 H 47 VAL47 0.0233 760 HG13 10.1640 18.3900 27.1840 H 47 VAL47 0.0233 761 HG21 11.7540 17.7990 23.9200 H 47 VAL47 0.0233 762 HG22 11.8270 19.4480 23.3390 H 47 VAL47 0.0233 763 HG23 10.2870 18.5820 23.3420 H 47 VAL47 0.0233 764 N 8.9180 20.8530 27.4040 N.am 48 SER48 -0.2436 765 CA 8.8220 21.3670 28.7460 C.3 48 SER48 0.1109 766 C 9.5160 20.3600 29.7270 C.2 48 SER48 0.2209 767 O 9.6030 19.1390 29.4680 O.2 48 SER48 -0.2777 768 CB 7.3530 21.4870 29.1890 C.3 48 SER48 0.0681 769 OG 6.7870 20.1910 29.3630 O.3 48 SER48 -0.3930 770 H 8.1630 20.2890 27.0140 H 48 SER48 0.1312 771 HA 9.3080 22.3430 28.7960 H 48 SER48 0.0580 772 HB1 6.7730 22.0280 28.4380 H 48 SER48 0.0577 773 HB2 7.3130 22.0750 30.1150 H 48 SER48 0.0577 774 HG 6.0790 20.1770 30.0050 H 48 SER48 0.2095 775 N 9.9870 20.9110 30.8390 N.am 49 ASP49 -0.2451 776 CA 10.6460 20.1510 31.8640 C.3 49 ASP49 0.0974 777 C 10.2880 20.7410 33.1710 C.2 49 ASP49 0.2192 778 O 9.7210 21.8500 33.2590 O.2 49 ASP49 -0.2778 779 CB 12.1410 20.2850 31.5800 C.3 49 ASP49 0.0576 780 CG 12.9170 19.0430 31.9960 C.2 49 ASP49 0.1780 781 OD1 12.4460 17.9470 31.7510 O.co2 49 ASP49 -0.6478 782 OD2 14.0000 19.1660 32.5530 O.co2 49 ASP49 -0.6478 783 H 9.8760 21.9160 30.9710 H 49 ASP49 0.1312 784 HA 10.2750 19.1240 31.8200 H 49 ASP49 0.0563 785 HB1 12.5560 21.1720 32.0560 H 49 ASP49 0.0394 786 HB2 12.3030 20.3960 30.5080 H 49 ASP49 0.0394 787 N 10.5800 19.9790 34.2140 N.am 50 PHE50 -0.2453 788 CA 10.3490 20.4090 35.5680 C.3 50 PHE50 0.0917 789 C 11.2960 19.6600 36.5170 C.2 50 PHE50 0.2190 790 O 11.4520 18.4420 36.3880 O.2 50 PHE50 -0.2778 791 CB 8.8820 20.1450 35.9610 C.3 50 PHE50 -0.0036 792 CG 8.5230 20.7920 37.2740 C.ar 50 PHE50 -0.0454 793 CD1 8.8280 20.1740 38.4850 C.ar 50 PHE50 -0.0585 794 CD2 7.9000 22.0340 37.2940 C.ar 50 PHE50 -0.0585 795 CE1 8.5560 20.8070 39.6910 C.ar 50 PHE50 -0.0615 796 CE2 7.6170 22.6670 38.4980 C.ar 50 PHE50 -0.0615 797 CZ 7.9520 22.0560 39.6970 C.ar 50 PHE50 -0.0617 798 H 10.9820 19.0560 34.0520 H 50 PHE50 0.1312 799 HA 10.5710 21.4710 35.6160 H 50 PHE50 0.0560 800 HB1 8.6830 19.0750 36.0170 H 50 PHE50 0.0333 801 HB2 8.2190 20.5350 35.1880 H 50 PHE50 0.0333 802 HD1 9.3110 19.2080 38.4950 H 50 PHE50 0.0620 803 HD2 7.6430 22.5210 36.3660 H 50 PHE50 0.0620 804 HE1 8.8210 20.3300 40.6230 H 50 PHE50 0.0618 805 HE2 7.1450 23.6390 38.4980 H 50 PHE50 0.0618 806 HZ 7.7430 22.5510 40.6350 H 50 PHE50 0.0618 807 N 11.9770 20.3900 37.4040 N.am 51 ASP51 -0.2451 808 CA 12.7980 19.7570 38.4430 C.3 51 ASP51 0.0974 809 C 12.7990 20.6940 39.5760 C.2 51 ASP51 0.2192 810 O 12.4120 21.8510 39.4120 O.2 51 ASP51 -0.2778 811 CB 14.1640 19.2820 37.9220 C.3 51 ASP51 0.0576 812 CG 15.0810 20.3940 37.4030 C.2 51 ASP51 0.1780 813 OD1 15.0790 20.7010 36.2130 O.co2 51 ASP51 -0.6478 814 OD2 15.8310 20.9570 38.1890 O.co2 51 ASP51 -0.6478 815 H 11.9250 21.4080 37.3580 H 51 ASP51 0.1312 816 HA 12.2380 18.8850 38.7860 H 51 ASP51 0.0563 817 HB1 14.0170 18.5690 37.1120 H 51 ASP51 0.0394 818 HB2 14.6960 18.7470 38.7080 H 51 ASP51 0.0394 819 N 13.2160 20.2520 40.7550 N.am 52 ASN52 -0.2452 820 CA 13.2000 21.1550 41.9100 C.3 52 ASN52 0.0957 821 C 14.2830 22.3070 41.8470 C.2 52 ASN52 0.2191 822 O 14.2180 23.2630 42.6070 O.2 52 ASN52 -0.2778 823 CB 13.4140 20.3500 43.2020 C.3 52 ASN52 0.0446 824 CG 12.3260 19.2850 43.4170 C.2 52 ASN52 0.2000 825 OD1 11.4000 19.1230 42.6340 O.2 52 ASN52 -0.2797 826 ND2 12.5010 18.5670 44.5360 N.am 52 ASN52 -0.2723 827 H 13.5450 19.2920 40.8570 H 52 ASN52 0.1312 828 HA 12.2180 21.6330 41.9370 H 52 ASN52 0.0562 829 HB1 13.4060 21.0130 44.0680 H 52 ASN52 0.0375 830 HB2 14.3830 19.8530 43.1830 H 52 ASN52 0.0375 831 HD21 11.8400 17.8510 44.7580 H 52 ASN52 0.1266 832 HD22 13.2710 18.7310 45.1510 H 52 ASN52 0.1266 833 N 15.2750 22.1560 40.9800 N.am 53 ALA53 -0.2459 834 CA 16.3150 23.1620 40.8430 C.3 53 ALA53 0.0850 835 C 15.7920 24.2830 40.0110 C.2 53 ALA53 0.2184 836 O 15.6820 25.4090 40.4860 O.2 53 ALA53 -0.2778 837 CB 17.6190 22.5680 40.2920 C.3 53 ALA53 -0.0411 838 H 15.3090 21.3190 40.3990 H 53 ALA53 0.1312 839 HA 16.5190 23.5590 41.8400 H 53 ALA53 0.0554 840 HB1 18.4290 23.2950 40.3570 H 53 ALA53 0.0249 841 HB2 17.5410 22.2670 39.2510 H 53 ALA53 0.0249 842 HB3 17.9160 21.6930 40.8710 H 53 ALA53 0.0249 843 N 15.4430 23.9700 38.7670 N.am 54 LYS54 -0.2457 844 CA 14.9380 24.9430 37.7940 C.3 54 LYS54 0.0878 845 C 13.4200 25.2100 37.7380 C.2 54 LYS54 0.2185 846 O 12.9810 26.1420 37.0380 O.2 54 LYS54 -0.2778 847 CB 15.4650 24.5130 36.4170 C.3 54 LYS54 -0.0289 848 CG 16.9630 24.8340 36.2640 C.3 54 LYS54 -0.0496 849 CD 17.6790 23.9610 35.2250 C.3 54 LYS54 -0.0278 850 CE 18.2960 22.7020 35.8490 C.3 54 LYS54 0.1103 851 NZ 17.3030 21.8060 36.4220 N.4 54 LYS54 -0.0749 852 H 15.5320 22.9980 38.4730 H 54 LYS54 0.1312 853 HA 15.3830 25.9070 38.0470 H 54 LYS54 0.0557 854 HB1 14.9250 25.0170 35.6140 H 54 LYS54 0.0285 855 HB2 15.2690 23.4490 36.2830 H 54 LYS54 0.0285 856 HG1 17.4790 24.7490 37.2220 H 54 LYS54 0.0266 857 HG2 17.0540 25.8840 35.9810 H 54 LYS54 0.0266 858 HD1 18.4840 24.5440 34.7760 H 54 LYS54 0.0282 859 HD2 17.0030 23.7030 34.4090 H 54 LYS54 0.0282 860 HE1 18.9960 22.9750 36.6410 H 54 LYS54 0.0559 861 HE2 18.8580 22.1430 35.1000 H 54 LYS54 0.0559 862 HZ1 17.7100 20.9710 36.8840 H 54 LYS54 0.2742 863 HZ2 16.6040 21.4670 35.7280 H 54 LYS54 0.2742 864 HZ3 16.7170 22.2540 37.1590 H 54 LYS54 0.2742 865 N 12.6300 24.4070 38.4530 N.am 55 GLY55 -0.2485 866 CA 11.1890 24.5570 38.3730 C.3 55 GLY55 0.0765 867 C 10.7840 24.2250 36.9280 C.2 55 GLY55 0.2155 868 O 11.4740 23.4700 36.2130 O.2 55 GLY55 -0.2781 869 H 13.0370 23.6910 39.0530 H 55 GLY55 0.1309 870 HA1 10.9190 25.5790 38.6430 H 55 GLY55 0.0521 871 HA2 10.7380 23.8490 39.0670 H 55 GLY55 0.0521 872 N 9.6780 24.8110 36.4830 N.am 56 LEU56 -0.2459 873 CA 9.1790 24.6090 35.1320 C.3 56 LEU56 0.0880 874 C 10.0830 25.3600 34.1640 C.2 56 LEU56 0.2187 875 O 10.3260 26.5580 34.3400 O.2 56 LEU56 -0.2778 876 CB 7.7300 25.1250 35.0390 C.3 56 LEU56 -0.0266 877 CG 7.0000 24.7320 33.7380 C.3 56 LEU56 -0.0449 878 CD1 6.6130 23.2460 33.7230 C.3 56 LEU56 -0.0626 879 CD2 5.7480 25.5920 33.5350 C.3 56 LEU56 -0.0626 880 H 9.1600 25.4250 37.1120 H 56 LEU56 0.1312 881 HA 9.2250 23.5390 34.9310 H 56 LEU56 0.0557 882 HB1 7.7360 26.2110 35.1420 H 56 LEU56 0.0287 883 HB2 7.1550 24.7580 35.8900 H 56 LEU56 0.0287 884 HG 7.6600 24.9210 32.8910 H 56 LEU56 0.0296 885 HD11 6.1280 22.9770 32.7840 H 56 LEU56 0.0232 886 HD12 5.9180 23.0120 34.5300 H 56 LEU56 0.0232 887 HD13 7.4800 22.6000 33.8380 H 56 LEU56 0.0232 888 HD21 5.2270 25.3030 32.6230 H 56 LEU56 0.0232 889 HD22 6.0020 26.6500 33.4560 H 56 LEU56 0.0232 890 HD23 5.0500 25.4770 34.3650 H 56 LEU56 0.0232 891 N 10.5350 24.6810 33.1150 N.am 57 ASN57 -0.2452 892 CA 11.4440 25.2980 32.1480 C.3 57 ASN57 0.0957 893 C 11.3410 24.6480 30.8040 C.2 57 ASN57 0.2191 894 O 10.7270 23.5810 30.6640 O.2 57 ASN57 -0.2778 895 CB 12.8890 25.2800 32.6950 C.3 57 ASN57 0.0446 896 CG 13.4880 23.8640 32.8060 C.2 57 ASN57 0.2000 897 OD1 14.1130 23.3570 31.8820 O.2 57 ASN57 -0.2797 898 ND2 13.2690 23.2610 33.9820 N.am 57 ASN57 -0.2723 899 H 10.2430 23.7130 32.9820 H 57 ASN57 0.1312 900 HA 11.1190 26.3320 32.0190 H 57 ASN57 0.0562 901 HB1 12.9210 25.7500 33.6790 H 57 ASN57 0.0375 902 HB2 13.5430 25.8690 32.0530 H 57 ASN57 0.0375 903 HD21 13.5990 22.3400 34.1920 H 57 ASN57 0.1266 904 HD22 12.7510 23.7320 34.6960 H 57 ASN57 0.1266 905 N 11.9300 25.2800 29.7940 N.am 58 VAL58 -0.2454 906 CA 11.8650 24.7690 28.4340 C.3 58 VAL58 0.0901 907 C 13.2570 24.5610 27.7930 C.2 58 VAL58 0.2189 908 O 14.1680 25.3920 27.9710 O.2 58 VAL58 -0.2778 909 CB 10.9980 25.7070 27.5590 C.3 58 VAL58 -0.0227 910 CG1 10.8250 25.1800 26.1230 C.3 58 VAL58 -0.0608 911 CG2 9.6110 25.9330 28.1760 C.3 58 VAL58 -0.0608 912 H 12.4400 26.1440 29.9770 H 58 VAL58 0.1312 913 HA 11.3850 23.7900 28.4520 H 58 VAL58 0.0560 914 HB 11.4950 26.6780 27.5030 H 58 VAL58 0.0315 915 HG11 10.1850 25.8390 25.5360 H 58 VAL58 0.0233 916 HG12 10.3720 24.1890 26.1240 H 58 VAL58 0.0233 917 HG13 11.7740 25.1040 25.5970 H 58 VAL58 0.0233 918 HG21 9.0160 26.6050 27.5590 H 58 VAL58 0.0233 919 HG22 9.6770 26.3840 29.1630 H 58 VAL58 0.0233 920 HG23 9.0670 24.9940 28.2770 H 58 VAL58 0.0233 921 N 13.4020 23.4610 27.0550 N.am 59 LYS59 -0.2456 922 CA 14.6420 23.1720 26.3470 C.3 59 LYS59 0.0878 923 C 14.2800 23.0760 24.8970 C.2 59 LYS59 0.2187 924 O 13.1390 22.6880 24.5480 O.2 59 LYS59 -0.2778 925 CB 15.1720 21.7760 26.7300 C.3 59 LYS59 -0.0289 926 CG 15.0950 21.3850 28.2050 C.3 59 LYS59 -0.0496 927 CD 15.9490 22.2160 29.1640 C.3 59 LYS59 -0.0278 928 CE 16.1660 21.4710 30.4900 C.3 59 LYS59 0.1103 929 NZ 14.9220 20.9600 31.0610 N.4 59 LYS59 -0.0749 930 H 12.6250 22.8040 26.9840 H 59 LYS59 0.1312 931 HA 15.3810 23.9580 26.5130 H 59 LYS59 0.0557 932 HB1 16.1940 21.6600 26.3660 H 59 LYS59 0.0285 933 HB2 14.5930 21.0090 26.2120 H 59 LYS59 0.0285 934 HG1 15.4410 20.3580 28.2470 H 59 LYS59 0.0266 935 HG2 14.0560 21.3680 28.5380 H 59 LYS59 0.0266 936 HD1 15.4700 23.1800 29.3400 H 59 LYS59 0.0282 937 HD2 16.9190 22.4290 28.7110 H 59 LYS59 0.0282 938 HE1 16.6340 22.1290 31.2240 H 59 LYS59 0.0559 939 HE2 16.8330 20.6190 30.3400 H 59 LYS59 0.0559 940 HZ1 15.0800 20.4560 31.9630 H 59 LYS59 0.2742 941 HZ2 14.4710 20.2640 30.4330 H 59 LYS59 0.2742 942 HZ3 14.2540 21.7350 31.2410 H 59 LYS59 0.2742 943 N 15.2060 23.4680 24.0260 N.am 60 HIS60 -0.2453 944 CA 15.0010 23.4310 22.5770 C.3 60 HIS60 0.0932 945 C 16.1020 22.6020 21.9550 C.2 60 HIS60 0.2190 946 O 17.2660 22.7800 22.2870 O.2 60 HIS60 -0.2778 947 CB 14.9390 24.8440 21.9850 C.3 60 HIS60 0.0146 948 CG 13.8810 25.7110 22.6450 C.ar 60 HIS60 0.0551 949 ND1 12.9390 26.3820 21.9430 N.ar 60 HIS60 -0.2469 950 CD2 13.8330 26.1710 23.9750 C.ar 60 HIS60 0.0047 951 CE1 12.3190 27.1880 22.8240 C.ar 60 HIS60 0.0737 952 NE2 12.8340 27.0760 24.0580 N.ar 60 HIS60 -0.2539 953 H 16.0980 23.8090 24.3840 H 60 HIS60 0.1312 954 HA 14.0540 22.9280 22.3760 H 60 HIS60 0.0561 955 HB1 14.6980 24.7870 20.9240 H 60 HIS60 0.0348 956 HB2 15.9080 25.3290 22.0690 H 60 HIS60 0.0348 957 HD2 14.5010 25.9080 24.7810 H 60 HIS60 0.0764 958 HE1 11.5670 27.9220 22.5740 H 60 HIS60 0.0963 959 HE2 12.5830 27.6170 24.8380 H 60 HIS60 0.1339 960 N 15.7170 21.6610 21.1010 N.am 61 TYR61 -0.2453 961 CA 16.6540 20.7630 20.4230 C.3 61 TYR61 0.0917 962 C 16.5620 20.9420 18.9490 C.2 61 TYR61 0.2190 963 O 15.4690 21.0370 18.3770 O.2 61 TYR61 -0.2778 964 CB 16.2940 19.3080 20.7770 C.3 61 TYR61 -0.0036 965 CG 16.4360 19.0280 22.2490 C.ar 61 TYR61 -0.0453 966 CD1 15.3480 19.1550 23.1090 C.ar 61 TYR61 -0.0561 967 CD2 17.6620 18.6240 22.7670 C.ar 61 TYR61 -0.0561 968 CE1 15.4900 18.8990 24.4680 C.ar 61 TYR61 -0.0317 969 CE2 17.8040 18.3600 24.1220 C.ar 61 TYR61 -0.0317 970 CZ 16.7210 18.5130 24.9760 C.ar 61 TYR61 0.0726 971 OH 16.8730 18.2840 26.3290 O.3 61 TYR61 -0.3598 972 H 14.7210 21.5590 20.9080 H 61 TYR61 0.1312 973 HA 17.6730 20.9880 20.7460 H 61 TYR61 0.0560 974 HB1 16.9320 18.6120 20.2290 H 61 TYR61 0.0333 975 HB2 15.2710 19.0830 20.4760 H 61 TYR61 0.0333 976 HD1 14.3850 19.4580 22.7230 H 61 TYR61 0.0621 977 HD2 18.5140 18.5140 22.1120 H 61 TYR61 0.0621 978 HE1 14.6410 18.9930 25.1280 H 61 TYR61 0.0643 979 HE2 18.7600 18.0450 24.5110 H 61 TYR61 0.0643 980 HH 17.6810 17.8050 26.4720 H 61 TYR61 0.2173 981 N 17.7090 21.0250 18.2930 N.am 62 LYS62 -0.2456 982 CA 17.7170 21.2060 16.8670 C.3 62 LYS62 0.0878 983 C 17.5520 19.8680 16.1700 C.2 62 LYS62 0.2187 984 O 18.1990 18.8820 16.5370 O.2 62 LYS62 -0.2778 985 CB 18.8720 22.1080 16.3620 C.3 62 LYS62 -0.0289 986 CG 18.5890 22.7260 14.9630 C.3 62 LYS62 -0.0496 987 CD 19.1160 24.1640 14.7090 C.3 62 LYS62 -0.0278 988 CE 18.3570 25.2510 15.5010 C.3 62 LYS62 0.1103 989 NZ 18.4250 26.6300 15.0210 N.4 62 LYS62 -0.0749 990 H 18.5910 20.9600 18.8020 H 62 LYS62 0.1312 991 HA 16.8110 21.7630 16.6280 H 62 LYS62 0.0557 992 HB1 19.8150 21.5600 16.3590 H 62 LYS62 0.0285 993 HB2 19.0110 22.9150 17.0810 H 62 LYS62 0.0285 994 HG1 17.5160 22.7390 14.7760 H 62 LYS62 0.0266 995 HG2 18.9930 22.0530 14.2060 H 62 LYS62 0.0266 996 HD1 19.0010 24.3770 13.6460 H 62 LYS62 0.0282 997 HD2 20.1850 24.2200 14.9150 H 62 LYS62 0.0282 998 HE1 18.7330 25.2690 16.5220 H 62 LYS62 0.0559 999 HE2 17.2960 25.0030 15.5190 H 62 LYS62 0.0559 1000 HZ1 17.7640 27.2150 15.5830 H 62 LYS62 0.2742 1001 HZ2 18.1150 26.6840 14.0300 H 62 LYS62 0.2742 1002 HZ3 19.3850 27.0120 15.1010 H 62 LYS62 0.2742 1003 N 16.5880 19.8080 15.2570 N.am 63 ILE63 -0.2454 1004 CA 16.3240 18.6140 14.4640 C.3 63 ILE63 0.0903 1005 C 16.8090 18.9100 13.0870 C.2 63 ILE63 0.2189 1006 O 16.4240 19.9280 12.4840 O.2 63 ILE63 -0.2778 1007 CB 14.8290 18.2120 14.4710 C.3 63 ILE63 -0.0201 1008 CG1 14.4360 17.6260 15.8400 C.3 63 ILE63 -0.0514 1009 CG2 14.5020 17.1970 13.3500 C.3 63 ILE63 -0.0605 1010 CD1 12.9400 17.3210 15.9910 C.3 63 ILE63 -0.0650 1011 H 16.0080 20.6330 15.1050 H 63 ILE63 0.1312 1012 HA 16.9100 17.7850 14.8650 H 63 ILE63 0.0560 1013 HB 14.2390 19.1110 14.3000 H 63 ILE63 0.0318 1014 HG11 14.7370 18.3090 16.6360 H 63 ILE63 0.0266 1015 HG12 14.9900 16.7020 15.9950 H 63 ILE63 0.0266 1016 HG21 13.4500 16.9230 13.3470 H 63 ILE63 0.0233 1017 HG22 15.0840 16.2820 13.4650 H 63 ILE63 0.0233 1018 HG23 14.7050 17.5970 12.3570 H 63 ILE63 0.0233 1019 HD11 12.7370 16.9040 16.9770 H 63 ILE63 0.0230 1020 HD12 12.6000 16.5790 15.2710 H 63 ILE63 0.0230 1021 HD13 12.3350 18.2200 15.8660 H 63 ILE63 0.0230 1022 N 17.7270 18.0730 12.6030 N.am 64 ARG64 -0.2456 1023 CA 18.2920 18.2170 11.2650 C.3 64 ARG64 0.0879 1024 C 17.6230 17.2760 10.2770 C.2 64 ARG64 0.2187 1025 O 17.1810 16.1930 10.6350 O.2 64 ARG64 -0.2778 1026 CB 19.8040 17.9340 11.2980 C.3 64 ARG64 -0.0258 1027 CG 20.5600 18.7970 12.3210 C.3 64 ARG64 -0.0154 1028 CD 22.0890 18.7310 12.1710 C.3 64 ARG64 0.1045 1029 NE 22.5490 19.5890 11.0720 N.pl3 64 ARG64 -0.4450 1030 CZ 22.9420 19.1810 9.8650 C.cat 64 ARG64 0.5062 1031 NH1 22.9490 17.9230 9.5220 N.pl3 64 ARG64 -0.4573 1032 NH2 23.3380 20.0680 8.9910 N.pl3 64 ARG64 -0.4573 1033 H 18.0470 17.3030 13.1900 H 64 ARG64 0.1312 1034 HA 18.1250 19.2430 10.9300 H 64 ARG64 0.0557 1035 HB1 20.2130 18.1030 10.3020 H 64 ARG64 0.0286 1036 HB2 19.9750 16.8810 11.5270 H 64 ARG64 0.0286 1037 HG1 20.2900 18.4650 13.3250 H 64 ARG64 0.0299 1038 HG2 20.2330 19.8350 12.2500 H 64 ARG64 0.0299 1039 HD1 22.4510 17.7110 12.0420 H 64 ARG64 0.0711 1040 HD2 22.5640 19.1180 13.0760 H 64 ARG64 0.0711 1041 HE 22.5810 20.5730 11.2370 H 64 ARG64 0.3153 1042 HH11 23.2230 17.6490 8.6050 H 64 ARG64 0.3114 1043 HH12 22.6860 17.2180 10.1810 H 64 ARG64 0.3114 1044 HH21 23.6310 19.7760 8.0830 H 64 ARG64 0.3114 1045 HH22 23.3540 21.0360 9.2250 H 64 ARG64 0.3114 1046 N 17.4820 17.7340 9.0430 N.am 65 LYS65 -0.2457 1047 CA 16.9040 16.9290 7.9830 C.3 65 LYS65 0.0878 1048 C 17.9280 17.0000 6.8750 C.2 65 LYS65 0.2187 1049 O 18.3450 18.0920 6.4640 O.2 65 LYS65 -0.2778 1050 CB 15.4900 17.4280 7.6090 C.3 65 LYS65 -0.0289 1051 CG 15.4020 18.4700 6.4770 C.3 65 LYS65 -0.0496 1052 CD 15.3490 17.8090 5.0840 C.3 65 LYS65 -0.0278 1053 CE 15.9410 18.6700 3.9600 C.3 65 LYS65 0.1103 1054 NZ 17.3820 18.4880 3.8240 N.4 65 LYS65 -0.0749 1055 H 17.7890 18.6830 8.8300 H 65 LYS65 0.1312 1056 HA 16.8320 15.8990 8.3290 H 65 LYS65 0.0557 1057 HB1 15.0230 17.8280 8.5090 H 65 LYS65 0.0285 1058 HB2 14.8780 16.5690 7.3320 H 65 LYS65 0.0285 1059 HG1 16.2160 19.1890 6.5590 H 65 LYS65 0.0266 1060 HG2 14.4940 19.0610 6.6070 H 65 LYS65 0.0266 1061 HD1 14.3050 17.5860 4.8550 H 65 LYS65 0.0282 1062 HD2 15.8460 16.8380 5.0920 H 65 LYS65 0.0282 1063 HE1 15.7330 19.7280 4.1220 H 65 LYS65 0.0559 1064 HE2 15.4970 18.3980 2.9990 H 65 LYS65 0.0559 1065 HZ1 17.7770 19.1180 3.0850 H 65 LYS65 0.2742 1066 HZ2 17.5910 17.5350 3.4710 H 65 LYS65 0.2742 1067 HZ3 17.8830 18.6460 4.7170 H 65 LYS65 0.2742 1068 N 18.4010 15.8440 6.4380 N.am 66 LEU66 -0.2456 1069 CA 19.3940 15.7710 5.3650 C.3 66 LEU66 0.0880 1070 C 18.6970 15.7130 3.9990 C.2 66 LEU66 0.2187 1071 O 17.5490 15.2870 3.9180 O.2 66 LEU66 -0.2778 1072 CB 20.1930 14.4600 5.4870 C.3 66 LEU66 -0.0266 1073 CG 20.9640 14.2800 6.8000 C.3 66 LEU66 -0.0449 1074 CD1 21.6580 12.9100 6.8010 C.3 66 LEU66 -0.0626 1075 CD2 21.9810 15.4080 7.0250 C.3 66 LEU66 -0.0626 1076 H 18.0640 14.9790 6.8610 H 66 LEU66 0.1312 1077 HA 20.0470 16.6440 5.4060 H 66 LEU66 0.0557 1078 HB1 20.9010 14.3840 4.6590 H 66 LEU66 0.0287 1079 HB2 19.5110 13.6140 5.3740 H 66 LEU66 0.0287 1080 HG 20.2460 14.2930 7.6200 H 66 LEU66 0.0296 1081 HD11 22.2440 12.7480 7.7040 H 66 LEU66 0.0232 1082 HD12 22.3360 12.8120 5.9510 H 66 LEU66 0.0232 1083 HD13 20.9280 12.1020 6.7350 H 66 LEU66 0.0232 1084 HD21 22.5730 15.2260 7.9200 H 66 LEU66 0.0232 1085 HD22 21.4860 16.3700 7.1490 H 66 LEU66 0.0232 1086 HD23 22.6700 15.4870 6.1830 H 66 LEU66 0.0232 1087 N 19.3860 16.1200 2.9320 N.am 67 ASP67 -0.2451 1088 CA 18.7870 16.0400 1.6030 C.3 67 ASP67 0.0974 1089 C 18.8150 14.5410 1.2140 C.2 67 ASP67 0.2193 1090 O 18.0600 14.0800 0.3440 O.2 67 ASP67 -0.2778 1091 CB 19.3300 17.2030 0.7550 C.3 67 ASP67 0.0576 1092 CG 18.8990 18.4870 1.5410 C.2 67 ASP67 0.1780 1093 OD1 19.5800 18.9200 2.4680 O.co2 67 ASP67 -0.6478 1094 OD2 17.8430 19.0540 1.2850 O.co2 67 ASP67 -0.6478 1095 H 20.3310 16.4870 3.0440 H 67 ASP67 0.1312 1096 HA 17.7170 16.2360 1.7120 H 67 ASP67 0.0563 1097 HB1 18.8910 17.2170 -0.2420 H 67 ASP67 0.0394 1098 HB2 20.4150 17.1700 0.6600 H 67 ASP67 0.0394 1099 N 19.6490 13.7980 1.9400 N.am 68 SER68 -0.2436 1100 CA 19.7880 12.3520 1.8030 C.3 68 SER68 0.1109 1101 C 18.4940 11.6320 2.4050 C.2 68 SER68 0.2207 1102 O 18.3450 10.4130 2.2600 O.2 68 SER68 -0.2777 1103 CB 21.0280 11.8790 2.5740 C.3 68 SER68 0.0681 1104 OG 22.1580 12.6650 2.2150 O.3 68 SER68 -0.3930 1105 H 20.2270 14.2700 2.6360 H 68 SER68 0.1312 1106 HA 19.8750 12.1240 0.7400 H 68 SER68 0.0580 1107 HB1 21.2040 10.8190 2.3530 H 68 SER68 0.0577 1108 HB2 20.8510 11.9740 3.6510 H 68 SER68 0.0577 1109 HG 22.9590 12.3260 2.6080 H 68 SER68 0.2095 1110 N 17.6790 12.3820 3.1630 N.am 69 GLY69 -0.2484 1111 CA 16.4350 11.8470 3.7010 C.3 69 GLY69 0.0765 1112 C 16.2050 11.7210 5.1940 C.2 69 GLY69 0.2153 1113 O 15.0730 11.8550 5.6560 O.2 69 GLY69 -0.2781 1114 H 17.9360 13.3480 3.3670 H 69 GLY69 0.1309 1115 HA1 16.2310 10.8730 3.2550 H 69 GLY69 0.0521 1116 HA2 15.6620 12.5130 3.3190 H 69 GLY69 0.0521 1117 N 17.2580 11.4810 5.9540 N.am 70 GLY70 -0.2487 1118 CA 17.0820 11.2990 7.3780 C.3 70 GLY70 0.0765 1119 C 16.8310 12.5270 8.2260 C.2 70 GLY70 0.2155 1120 O 17.2020 13.6430 7.8720 O.2 70 GLY70 -0.2781 1121 H 18.1890 11.4240 5.5400 H 70 GLY70 0.1309 1122 HA1 17.9960 10.8260 7.7350 H 70 GLY70 0.0521 1123 HA2 16.2760 10.5780 7.5190 H 70 GLY70 0.0521 1124 N 16.1660 12.2950 9.3440 N.am 71 PHE71 -0.2456 1125 CA 15.8710 13.3210 10.3390 C.3 71 PHE71 0.0917 1126 C 16.5580 12.8830 11.6520 C.2 71 PHE71 0.2190 1127 O 16.5280 11.6930 12.0030 O.2 71 PHE71 -0.2778 1128 CB 14.3540 13.3660 10.6040 C.3 71 PHE71 -0.0036 1129 CG 13.5760 13.9900 9.4770 C.ar 71 PHE71 -0.0454 1130 CD1 13.2590 13.2520 8.3400 C.ar 71 PHE71 -0.0585 1131 CD2 13.1290 15.3050 9.5750 C.ar 71 PHE71 -0.0585 1132 CE1 12.5180 13.8210 7.3140 C.ar 71 PHE71 -0.0615 1133 CE2 12.3700 15.8710 8.5590 C.ar 71 PHE71 -0.0615 1134 CZ 12.0680 15.1300 7.4250 C.ar 71 PHE71 -0.0617 1135 H 15.8400 11.3450 9.5220 H 71 PHE71 0.1312 1136 HA 16.2470 14.2770 9.9970 H 71 PHE71 0.0560 1137 HB1 14.1450 13.9310 11.5140 H 71 PHE71 0.0333 1138 HB2 13.9710 12.3590 10.7800 H 71 PHE71 0.0333 1139 HD1 13.5920 12.2280 8.2460 H 71 PHE71 0.0620 1140 HD2 13.3620 15.8920 10.4520 H 71 PHE71 0.0620 1141 HE1 12.2900 13.2400 6.4320 H 71 PHE71 0.0618 1142 HE2 12.0210 16.8890 8.6480 H 71 PHE71 0.0618 1143 HZ 11.4860 15.5720 6.6290 H 71 PHE71 0.0618 1144 N 17.1960 13.8040 12.3580 N.am 72 TYR72 -0.2453 1145 CA 17.8080 13.4330 13.6260 C.3 72 TYR72 0.0917 1146 C 18.1480 14.6600 14.4950 C.2 72 TYR72 0.2190 1147 O 18.1630 15.8030 13.9990 O.2 72 TYR72 -0.2778 1148 CB 19.1130 12.6700 13.3580 C.3 72 TYR72 -0.0036 1149 CG 20.1270 13.4650 12.5750 C.ar 72 TYR72 -0.0453 1150 CD1 20.9960 14.3440 13.2130 C.ar 72 TYR72 -0.0561 1151 CD2 20.2480 13.2830 11.2030 C.ar 72 TYR72 -0.0561 1152 CE1 21.9950 14.9970 12.5090 C.ar 72 TYR72 -0.0317 1153 CE2 21.2520 13.9270 10.4980 C.ar 72 TYR72 -0.0317 1154 CZ 22.1290 14.7800 11.1480 C.ar 72 TYR72 0.0726 1155 OH 23.1490 15.3890 10.4480 O.3 72 TYR72 -0.3598 1156 H 17.2580 14.7630 12.0170 H 72 TYR72 0.1312 1157 HA 17.1010 12.8110 14.1800 H 72 TYR72 0.0560 1158 HB1 18.8960 11.7660 12.8010 H 72 TYR72 0.0333 1159 HB2 19.5490 12.3380 14.2970 H 72 TYR72 0.0333 1160 HD1 20.9230 14.4960 14.2760 H 72 TYR72 0.0621 1161 HD2 19.5860 12.6020 10.6870 H 72 TYR72 0.0621 1162 HE1 22.6870 15.6390 13.0320 H 72 TYR72 0.0643 1163 HE2 21.3620 13.7370 9.4460 H 72 TYR72 0.0643 1164 HH 23.4610 14.7780 9.7890 H 72 TYR72 0.2173 1165 N 18.3410 14.3950 15.7850 N.am 73 ILE73 -0.2454 1166 CA 18.8130 15.4020 16.7220 C.3 73 ILE73 0.0903 1167 C 20.3450 15.0730 16.7840 C.2 73 ILE73 0.2190 1168 O 21.1610 15.9850 16.7370 O.2 73 ILE73 -0.2778 1169 CB 18.1070 15.2830 18.0890 C.3 73 ILE73 -0.0201 1170 CG1 16.5950 15.5370 17.9390 C.3 73 ILE73 -0.0514 1171 CG2 18.7210 16.2600 19.1080 C.3 73 ILE73 -0.0605 1172 CD1 15.7900 15.2950 19.2210 C.3 73 ILE73 -0.0650 1173 H 18.1510 13.4530 16.1280 H 73 ILE73 0.1312 1174 HA 18.6790 16.3990 16.2990 H 73 ILE73 0.0560 1175 HB 18.2430 14.2670 18.4640 H 73 ILE73 0.0318 1176 HG11 16.1870 14.8910 17.1610 H 73 ILE73 0.0266 1177 HG12 16.4390 16.5630 17.6080 H 73 ILE73 0.0266 1178 HG21 18.2310 16.1900 20.0780 H 73 ILE73 0.0233 1179 HG22 18.6310 17.2910 18.7660 H 73 ILE73 0.0233 1180 HG23 19.7790 16.0540 19.2700 H 73 ILE73 0.0233 1181 HD11 14.7200 15.3270 19.0140 H 73 ILE73 0.0230 1182 HD12 16.0000 16.0560 19.9710 H 73 ILE73 0.0230 1183 HD13 16.0150 14.3190 19.6530 H 73 ILE73 0.0230 1184 N 20.6990 13.7930 16.9470 N.am 74 THR74 -0.2434 1185 CA 22.1130 13.3740 16.9210 C.3 74 THR74 0.1135 1186 C 22.2730 12.4970 15.7060 C.2 74 THR74 0.2213 1187 O 21.4540 11.6110 15.4670 O.2 74 THR74 -0.2777 1188 CB 22.4620 12.6050 18.2140 C.3 74 THR74 0.0763 1189 OG1 23.8380 12.2450 18.1670 O.3 74 THR74 -0.3900 1190 CG2 21.5890 11.3540 18.4530 C.3 74 THR74 -0.0370 1191 H 19.9740 13.0910 17.0930 H 74 THR74 0.1313 1192 HA 22.7610 14.2460 16.8210 H 74 THR74 0.0583 1193 HB 22.2970 13.3050 19.0420 H 74 THR74 0.0611 1194 HG1 24.0860 11.8090 18.9760 H 74 THR74 0.2098 1195 HG21 21.7730 10.9150 19.4330 H 74 THR74 0.0255 1196 HG22 21.7900 10.5780 17.7150 H 74 THR74 0.0255 1197 HG23 20.5250 11.5880 18.4090 H 74 THR74 0.0255 1198 N 23.3210 12.7300 14.9190 N.am 75 SER75 -0.2435 1199 CA 23.5460 11.9890 13.6850 C.3 75 SER75 0.1109 1200 C 23.6760 10.4800 13.8900 C.2 75 SER75 0.2209 1201 O 23.5340 9.7170 12.9420 O.2 75 SER75 -0.2777 1202 CB 24.8050 12.5260 12.9900 C.3 75 SER75 0.0681 1203 OG 25.9390 12.3980 13.8420 O.3 75 SER75 -0.3930 1204 H 23.9890 13.4520 15.1890 H 75 SER75 0.1312 1205 HA 22.6760 12.1460 13.0500 H 75 SER75 0.0580 1206 HB1 24.6460 13.5790 12.7390 H 75 SER75 0.0577 1207 HB2 24.9640 11.9820 12.0510 H 75 SER75 0.0577 1208 HG 26.7320 12.7030 13.4070 H 75 SER75 0.2095 1209 N 23.9510 10.0620 15.1220 N.am 76 ARG76 -0.2456 1210 CA 24.0990 8.6400 15.4040 C.3 76 ARG76 0.0879 1211 C 22.7210 7.9320 15.5110 C.2 76 ARG76 0.2187 1212 O 22.6540 6.6960 15.4510 O.2 76 ARG76 -0.2778 1213 CB 24.8620 8.4730 16.7250 C.3 76 ARG76 -0.0258 1214 CG 26.2700 9.0830 16.6740 C.3 76 ARG76 -0.0154 1215 CD 27.0740 8.7900 17.9440 C.3 76 ARG76 0.1045 1216 NE 28.4130 9.3660 17.8140 N.pl3 76 ARG76 -0.4450 1217 CZ 29.3970 9.1680 18.6880 C.cat 76 ARG76 0.5062 1218 NH1 29.2200 8.4270 19.7500 N.pl3 76 ARG76 -0.4573 1219 NH2 30.5610 9.7220 18.4800 N.pl3 76 ARG76 -0.4573 1220 H 24.0590 10.7420 15.8750 H 76 ARG76 0.1312 1221 HA 24.6550 8.1810 14.5850 H 76 ARG76 0.0557 1222 HB1 24.9410 7.4100 16.9610 H 76 ARG76 0.0286 1223 HB2 24.2940 8.9280 17.5380 H 76 ARG76 0.0286 1224 HG1 26.2030 10.1620 16.5270 H 76 ARG76 0.0299 1225 HG2 26.8030 8.6840 15.8090 H 76 ARG76 0.0299 1226 HD1 27.1660 7.7100 18.0920 H 76 ARG76 0.0711 1227 HD2 26.5890 9.2290 18.8200 H 76 ARG76 0.0711 1228 HE 28.6010 9.9450 17.0210 H 76 ARG76 0.3153 1229 HH11 29.9630 8.2810 20.3980 H 76 ARG76 0.3114 1230 HH12 28.3310 8.0060 19.9100 H 76 ARG76 0.3114 1231 HH21 31.3090 9.5830 19.1250 H 76 ARG76 0.3114 1232 HH22 30.7060 10.2890 17.6720 H 76 ARG76 0.3114 1233 N 21.6420 8.7110 15.6140 N.am 77 THR77 -0.2434 1234 CA 20.3040 8.1360 15.7660 C.3 77 THR77 0.1135 1235 C 19.3140 8.8480 14.8320 C.2 77 THR77 0.2212 1236 O 18.7320 9.8760 15.1980 O.2 77 THR77 -0.2777 1237 CB 19.8630 8.2780 17.2440 C.3 77 THR77 0.0763 1238 OG1 20.9380 7.8750 18.0810 O.3 77 THR77 -0.3900 1239 CG2 18.5990 7.4510 17.5440 C.3 77 THR77 -0.0370 1240 H 21.7520 9.7250 15.5860 H 77 THR77 0.1313 1241 HA 20.3290 7.0800 15.4940 H 77 THR77 0.0583 1242 HB 19.6550 9.3350 17.4440 H 77 THR77 0.0611 1243 HG1 20.6550 7.8480 18.9930 H 77 THR77 0.2098 1244 HG21 18.2050 7.6490 18.5420 H 77 THR77 0.0255 1245 HG22 18.8010 6.3820 17.4690 H 77 THR77 0.0255 1246 HG23 17.8060 7.6840 16.8370 H 77 THR77 0.0255 1247 N 19.1830 8.3100 13.6240 N.am 78 GLN78 -0.2456 1248 CA 18.3680 8.8900 12.5710 C.3 78 GLN78 0.0882 1249 C 17.1080 8.2080 12.2890 C.2 78 GLN78 0.2187 1250 O 16.9650 6.9990 12.5600 O.2 78 GLN78 -0.2778 1251 CB 19.2200 8.9990 11.2890 C.3 78 GLN78 -0.0210 1252 CG 20.6250 9.5850 11.5340 C.3 78 GLN78 0.0225 1253 CD 21.3580 9.8320 10.2080 C.2 78 GLN78 0.1981 1254 OE1 21.1460 10.8270 9.5280 O.2 78 GLN78 -0.2798 1255 NE2 22.2310 8.8670 9.8840 N.am 78 GLN78 -0.2724 1256 H 19.6820 7.4430 13.4250 H 78 GLN78 0.1312 1257 HA 18.0900 9.8890 12.8960 H 78 GLN78 0.0557 1258 HB1 18.6910 9.6170 10.5610 H 78 GLN78 0.0289 1259 HB2 19.3300 8.0130 10.8340 H 78 GLN78 0.0289 1260 HG1 21.2260 8.9120 12.1460 H 78 GLN78 0.0356 1261 HG2 20.5700 10.5280 12.0710 H 78 GLN78 0.0356 1262 HE21 22.7470 8.9340 9.0320 H 78 GLN78 0.1266 1263 HE22 22.3750 8.0800 10.4830 H 78 GLN78 0.1266 1264 N 16.1950 8.9530 11.6610 N.am 79 PHE79 -0.2453 1265 CA 14.8560 8.4920 11.3250 C.3 79 PHE79 0.0917 1266 C 14.4370 8.7920 9.9350 C.2 79 PHE79 0.2190 1267 O 14.9050 9.7500 9.3070 O.2 79 PHE79 -0.2778 1268 CB 13.8700 9.1600 12.3010 C.3 79 PHE79 -0.0036 1269 CG 14.2530 8.8690 13.7260 C.ar 79 PHE79 -0.0454 1270 CD1 15.0360 9.7670 14.4470 C.ar 79 PHE79 -0.0585 1271 CD2 13.9090 7.6540 14.3060 C.ar 79 PHE79 -0.0585 1272 CE1 15.4740 9.4570 15.7240 C.ar 79 PHE79 -0.0615 1273 CE2 14.3570 7.3360 15.5800 C.ar 79 PHE79 -0.0615 1274 CZ 15.1360 8.2380 16.2890 C.ar 79 PHE79 -0.0617 1275 H 16.4520 9.9050 11.4000 H 79 PHE79 0.1312 1276 HA 14.8310 7.4080 11.4520 H 79 PHE79 0.0560 1277 HB1 12.8520 8.8090 12.1310 H 79 PHE79 0.0333 1278 HB2 13.8570 10.2400 12.1470 H 79 PHE79 0.0333 1279 HD1 15.3440 10.6980 13.9980 H 79 PHE79 0.0620 1280 HD2 13.3250 6.9350 13.7520 H 79 PHE79 0.0620 1281 HE1 16.1060 10.1450 16.2670 H 79 PHE79 0.0618 1282 HE2 14.1150 6.3770 16.0110 H 79 PHE79 0.0618 1283 HZ 15.5060 7.9860 17.2710 H 79 PHE79 0.0618 1284 N 13.5530 7.9430 9.4120 N.am 80 ASN80 -0.2452 1285 CA 13.0620 8.0960 8.0420 C.3 80 ASN80 0.0957 1286 C 12.0400 9.2410 7.8770 C.2 80 ASN80 0.2192 1287 O 11.7500 9.6540 6.7640 O.2 80 ASN80 -0.2778 1288 CB 12.4320 6.7900 7.5340 C.3 80 ASN80 0.0446 1289 CG 13.3690 5.5880 7.7020 C.2 80 ASN80 0.2000 1290 OD1 14.5810 5.7170 7.8010 O.2 80 ASN80 -0.2797 1291 ND2 12.7300 4.4090 7.7320 N.am 80 ASN80 -0.2723 1292 H 13.2100 7.1680 9.9800 H 80 ASN80 0.1312 1293 HA 13.9260 8.3390 7.4190 H 80 ASN80 0.0562 1294 HB1 12.1810 6.8740 6.4760 H 80 ASN80 0.0375 1295 HB2 11.5070 6.5830 8.0640 H 80 ASN80 0.0375 1296 HD21 13.2650 3.5720 7.8390 H 80 ASN80 0.1266 1297 HD22 11.7360 4.3500 7.6460 H 80 ASN80 0.1266 1298 N 11.5150 9.7330 8.9930 N.am 81 SER81 -0.2436 1299 CA 10.5220 10.7990 8.9600 C.3 81 SER81 0.1109 1300 C 10.5010 11.4680 10.3040 C.2 81 SER81 0.2209 1301 O 10.8840 10.8760 11.3290 O.2 81 SER81 -0.2777 1302 CB 9.1350 10.2470 8.5940 C.3 81 SER81 0.0681 1303 OG 8.6010 9.4310 9.6330 O.3 81 SER81 -0.3930 1304 H 11.8130 9.3570 9.8930 H 81 SER81 0.1312 1305 HA 10.8510 11.5300 8.2200 H 81 SER81 0.0580 1306 HB1 9.2190 9.6740 7.6630 H 81 SER81 0.0577 1307 HB2 8.4610 11.0860 8.3970 H 81 SER81 0.0577 1308 HG 7.7630 9.0560 9.3710 H 81 SER81 0.2095 1309 N 10.0080 12.6980 10.3280 N.am 82 LEU82 -0.2456 1310 CA 9.9200 13.4340 11.5720 C.3 82 LEU82 0.0880 1311 C 8.9740 12.6780 12.5590 C.2 82 LEU82 0.2187 1312 O 9.1670 12.6850 13.7810 O.2 82 LEU82 -0.2778 1313 CB 9.3980 14.8350 11.2240 C.3 82 LEU82 -0.0266 1314 CG 9.4760 15.8820 12.3470 C.3 82 LEU82 -0.0449 1315 CD1 10.9160 16.1270 12.8160 C.3 82 LEU82 -0.0626 1316 CD2 8.8480 17.1950 11.8570 C.3 82 LEU82 -0.0626 1317 H 9.6870 13.1300 9.4620 H 82 LEU82 0.1312 1318 HA 10.9250 13.4720 11.9920 H 82 LEU82 0.0557 1319 HB1 8.3650 14.7440 10.8870 H 82 LEU82 0.0287 1320 HB2 9.9560 15.2130 10.3670 H 82 LEU82 0.0287 1321 HG 8.9060 15.5240 13.2040 H 82 LEU82 0.0296 1322 HD11 10.9470 16.9150 13.5690 H 82 LEU82 0.0232 1323 HD12 11.5510 16.4370 11.9860 H 82 LEU82 0.0232 1324 HD13 11.3530 15.2350 13.2640 H 82 LEU82 0.0232 1325 HD21 8.8870 17.9710 12.6160 H 82 LEU82 0.0232 1326 HD22 7.8000 17.0550 11.5950 H 82 LEU82 0.0232 1327 HD23 9.3640 17.5730 10.9740 H 82 LEU82 0.0232 1328 N 7.9520 12.0400 12.0020 N.am 83 GLN83 -0.2456 1329 CA 6.9730 11.2980 12.7910 C.3 83 GLN83 0.0882 1330 C 7.6250 10.1530 13.5450 C.2 83 GLN83 0.2187 1331 O 7.3380 9.9210 14.7240 O.2 83 GLN83 -0.2778 1332 CB 5.8130 10.8150 11.9040 C.3 83 GLN83 -0.0210 1333 CG 5.2170 11.9160 11.0020 C.3 83 GLN83 0.0225 1334 CD 5.8820 11.9540 9.6130 C.2 83 GLN83 0.1981 1335 OE1 6.8340 12.6810 9.3540 O.2 83 GLN83 -0.2798 1336 NE2 5.3190 11.1110 8.7330 N.am 83 GLN83 -0.2724 1337 H 7.8470 12.0690 10.9880 H 83 GLN83 0.1312 1338 HA 6.5890 12.0000 13.5330 H 83 GLN83 0.0557 1339 HB1 5.0230 10.4490 12.5620 H 83 GLN83 0.0289 1340 HB2 6.1140 9.9550 11.3050 H 83 GLN83 0.0289 1341 HG1 5.2970 12.9000 11.4650 H 83 GLN83 0.0356 1342 HG2 4.1520 11.7310 10.8580 H 83 GLN83 0.0356 1343 HE21 5.7020 11.0160 7.8170 H 83 GLN83 0.1266 1344 HE22 4.5150 10.5850 9.0060 H 83 GLN83 0.1266 1345 N 8.5340 9.4520 12.8670 N.am 84 GLN84 -0.2456 1346 CA 9.2280 8.3240 13.5080 C.3 84 GLN84 0.0882 1347 C 10.1320 8.8310 14.5840 C.2 84 GLN84 0.2187 1348 O 10.2740 8.2110 15.6360 O.2 84 GLN84 -0.2778 1349 CB 10.0310 7.5660 12.4400 C.3 84 GLN84 -0.0210 1350 CG 9.1230 6.7120 11.5430 C.3 84 GLN84 0.0225 1351 CD 9.8690 6.1450 10.3290 C.2 84 GLN84 0.1981 1352 OE1 9.4240 6.2640 9.1970 O.2 84 GLN84 -0.2798 1353 NE2 11.0220 5.5230 10.6250 N.am 84 GLN84 -0.2724 1354 H 8.7490 9.6980 11.9010 H 84 GLN84 0.1312 1355 HA 8.4770 7.6790 13.9660 H 84 GLN84 0.0557 1356 HB1 10.7710 6.9200 12.9170 H 84 GLN84 0.0289 1357 HB2 10.5880 8.2830 11.8350 H 84 GLN84 0.0289 1358 HG1 8.2840 7.2990 11.1740 H 84 GLN84 0.0356 1359 HG2 8.6990 5.8810 12.1070 H 84 GLN84 0.0356 1360 HE21 11.5610 5.1200 9.8850 H 84 GLN84 0.1266 1361 HE22 11.3530 5.4500 11.5640 H 84 GLN84 0.1266 1362 N 10.7650 9.9740 14.3320 N.am 85 LEU85 -0.2456 1363 CA 11.6330 10.5720 15.3440 C.3 85 LEU85 0.0880 1364 C 10.7880 10.9260 16.5810 C.2 85 LEU85 0.2187 1365 O 11.1810 10.6400 17.7080 O.2 85 LEU85 -0.2778 1366 CB 12.2480 11.8290 14.6790 C.3 85 LEU85 -0.0266 1367 CG 13.1920 12.7020 15.5340 C.3 85 LEU85 -0.0449 1368 CD1 14.1570 13.4890 14.6320 C.3 85 LEU85 -0.0626 1369 CD2 12.4370 13.7030 16.4260 C.3 85 LEU85 -0.0626 1370 H 10.6440 10.4340 13.4300 H 85 LEU85 0.1312 1371 HA 12.3920 9.8450 15.6300 H 85 LEU85 0.0557 1372 HB1 11.4650 12.4670 14.2780 H 85 LEU85 0.0287 1373 HB2 12.7930 11.4860 13.8010 H 85 LEU85 0.0287 1374 HG 13.7860 12.0390 16.1610 H 85 LEU85 0.0296 1375 HD11 14.8790 14.0550 15.2220 H 85 LEU85 0.0232 1376 HD12 13.6160 14.1970 14.0020 H 85 LEU85 0.0232 1377 HD13 14.7180 12.8300 13.9720 H 85 LEU85 0.0232 1378 HD21 13.1350 14.3330 16.9780 H 85 LEU85 0.0232 1379 HD22 11.8000 13.2200 17.1620 H 85 LEU85 0.0232 1380 HD23 11.8030 14.3580 15.8280 H 85 LEU85 0.0232 1381 N 9.6260 11.5590 16.3730 N.am 86 VAL86 -0.2454 1382 CA 8.7710 11.9220 17.4950 C.3 86 VAL86 0.0901 1383 C 8.3160 10.6620 18.2730 C.2 86 VAL86 0.2189 1384 O 8.3820 10.6280 19.4970 O.2 86 VAL86 -0.2778 1385 CB 7.6080 12.8190 17.0210 C.3 86 VAL86 -0.0227 1386 CG1 6.5410 13.0300 18.1090 C.3 86 VAL86 -0.0608 1387 CG2 8.1400 14.1860 16.5630 C.3 86 VAL86 -0.0608 1388 H 9.3380 11.7880 15.4220 H 86 VAL86 0.1312 1389 HA 9.3930 12.4960 18.1840 H 86 VAL86 0.0560 1390 HB 7.1240 12.3370 16.1700 H 86 VAL86 0.0315 1391 HG11 5.7660 13.7190 17.7700 H 86 VAL86 0.0233 1392 HG12 6.9810 13.4430 19.0170 H 86 VAL86 0.0233 1393 HG13 6.0430 12.0970 18.3740 H 86 VAL86 0.0233 1394 HG21 7.3280 14.8240 16.2190 H 86 VAL86 0.0233 1395 HG22 8.8570 14.0970 15.7490 H 86 VAL86 0.0233 1396 HG23 8.6350 14.7070 17.3830 H 86 VAL86 0.0233 1397 N 7.9520 9.6100 17.5440 N.am 87 ALA87 -0.2459 1398 CA 7.5200 8.3440 18.1650 C.3 87 ALA87 0.0850 1399 C 8.6300 7.7370 19.0160 C.2 87 ALA87 0.2184 1400 O 8.4030 7.3670 20.1740 O.2 87 ALA87 -0.2778 1401 CB 7.0900 7.3830 17.0520 C.3 87 ALA87 -0.0411 1402 H 7.9720 9.6810 16.5270 H 87 ALA87 0.1312 1403 HA 6.6760 8.5850 18.8130 H 87 ALA87 0.0554 1404 HB1 6.7200 6.4410 17.4580 H 87 ALA87 0.0249 1405 HB2 7.9180 7.1610 16.3780 H 87 ALA87 0.0249 1406 HB3 6.2920 7.8230 16.4540 H 87 ALA87 0.0249 1407 N 9.8580 7.7290 18.4810 N.am 88 TYR88 -0.2453 1408 CA 11.0040 7.1780 19.2120 C.3 88 TYR88 0.0917 1409 C 11.2700 7.9620 20.5210 C.2 88 TYR88 0.2190 1410 O 11.4160 7.3770 21.5940 O.2 88 TYR88 -0.2778 1411 CB 12.2330 7.2320 18.2870 C.3 88 TYR88 -0.0036 1412 CG 13.4930 6.7140 18.9380 C.ar 88 TYR88 -0.0453 1413 CD1 13.9290 5.4080 18.7320 C.ar 88 TYR88 -0.0561 1414 CD2 14.2670 7.5600 19.7270 C.ar 88 TYR88 -0.0561 1415 CE1 15.1130 4.9610 19.3090 C.ar 88 TYR88 -0.0317 1416 CE2 15.4330 7.1090 20.3240 C.ar 88 TYR88 -0.0317 1417 CZ 15.8620 5.8100 20.1120 C.ar 88 TYR88 0.0726 1418 OH 17.0270 5.3630 20.6980 O.3 88 TYR88 -0.3598 1419 H 9.9990 8.1140 17.5470 H 88 TYR88 0.1312 1420 HA 10.7670 6.1460 19.4710 H 88 TYR88 0.0560 1421 HB1 12.4080 8.2570 17.9570 H 88 TYR88 0.0333 1422 HB2 12.0350 6.6580 17.3820 H 88 TYR88 0.0333 1423 HD1 13.3580 4.7370 18.1090 H 88 TYR88 0.0621 1424 HD2 13.9640 8.5830 19.8840 H 88 TYR88 0.0621 1425 HE1 15.4590 3.9510 19.1500 H 88 TYR88 0.0643 1426 HE2 16.0100 7.7700 20.9510 H 88 TYR88 0.0643 1427 HH 17.3240 6.0050 21.3450 H 88 TYR88 0.2173 1428 N 11.3580 9.2870 20.4210 N.am 89 TYR89 -0.2453 1429 CA 11.6130 10.1030 21.6130 C.3 89 TYR89 0.0917 1430 C 10.4450 10.1400 22.6260 C.2 89 TYR89 0.2191 1431 O 10.6040 10.6150 23.7320 O.2 89 TYR89 -0.2778 1432 CB 12.1290 11.4910 21.2080 C.3 89 TYR89 -0.0036 1433 CG 13.5280 11.4000 20.6440 C.ar 89 TYR89 -0.0453 1434 CD1 13.7970 11.7780 19.3330 C.ar 89 TYR89 -0.0561 1435 CD2 14.5720 10.8990 21.4220 C.ar 89 TYR89 -0.0561 1436 CE1 15.0730 11.6310 18.8010 C.ar 89 TYR89 -0.0317 1437 CE2 15.8370 10.7160 20.8810 C.ar 89 TYR89 -0.0317 1438 CZ 16.0870 11.0790 19.5660 C.ar 89 TYR89 0.0726 1439 OH 17.3390 10.8850 19.0180 O.3 89 TYR89 -0.3598 1440 H 11.2480 9.7360 19.5120 H 89 TYR89 0.1312 1441 HA 12.4060 9.5880 22.1570 H 89 TYR89 0.0560 1442 HB1 12.1520 12.1530 22.0720 H 89 TYR89 0.0333 1443 HB2 11.4530 11.9470 20.4840 H 89 TYR89 0.0333 1444 HD1 13.0060 12.1710 18.7150 H 89 TYR89 0.0621 1445 HD2 14.4010 10.6020 22.4470 H 89 TYR89 0.0621 1446 HE1 15.2820 11.9200 17.7840 H 89 TYR89 0.0643 1447 HE2 16.6190 10.2720 21.4800 H 89 TYR89 0.0643 1448 HH 17.8080 10.2620 19.5620 H 89 TYR89 0.2173 1449 N 9.2730 9.6440 22.2330 N.am 90 SER90 -0.2436 1450 CA 8.1310 9.5730 23.1550 C.3 90 SER90 0.1109 1451 C 8.2870 8.3160 24.0370 C.2 90 SER90 0.2209 1452 O 7.5830 8.1570 25.0460 O.2 90 SER90 -0.2777 1453 CB 6.8130 9.5400 22.3690 C.3 90 SER90 0.0681 1454 OG 6.6220 10.7890 21.7240 O.3 90 SER90 -0.3930 1455 H 9.1660 9.3080 21.2760 H 90 SER90 0.1312 1456 HA 8.1620 10.4520 23.7940 H 90 SER90 0.0580 1457 HB1 5.9780 9.3580 23.0520 H 90 SER90 0.0577 1458 HB2 6.8420 8.7300 21.6330 H 90 SER90 0.0577 1459 HG 5.8450 10.7970 21.1700 H 90 SER90 0.2095 1460 N 9.2060 7.4290 23.6340 N.am 91 LYS91 -0.2456 1461 CA 9.4970 6.1890 24.3620 C.3 91 LYS91 0.0878 1462 C 10.9010 6.1890 25.0260 C.2 91 LYS91 0.2187 1463 O 11.1340 5.4820 25.9980 O.2 91 LYS91 -0.2778 1464 CB 9.4450 5.0240 23.3610 C.3 91 LYS91 -0.0289 1465 CG 8.0750 4.8620 22.6890 C.3 91 LYS91 -0.0496 1466 CD 8.0490 3.6610 21.7350 C.3 91 LYS91 -0.0278 1467 CE 6.6880 3.4900 21.0500 C.3 91 LYS91 0.1103 1468 NZ 6.6360 2.2990 20.1990 N.4 91 LYS91 -0.0749 1469 H 9.7280 7.6250 22.7800 H 91 LYS91 0.1312 1470 HA 8.7560 6.0450 25.1480 H 91 LYS91 0.0557 1471 HB1 9.7060 4.0950 23.8710 H 91 LYS91 0.0285 1472 HB2 10.2050 5.1720 22.5920 H 91 LYS91 0.0285 1473 HG1 7.8230 5.7670 22.1360 H 91 LYS91 0.0266 1474 HG2 7.3080 4.7420 23.4550 H 91 LYS91 0.0266 1475 HD1 8.2980 2.7580 22.2940 H 91 LYS91 0.0282 1476 HD2 8.8290 3.7850 20.9820 H 91 LYS91 0.0282 1477 HE1 6.4630 4.3650 20.4340 H 91 LYS91 0.0559 1478 HE2 5.8960 3.4080 21.7980 H 91 LYS91 0.0559 1479 HZ1 5.6960 2.2200 19.7570 H 91 LYS91 0.2742 1480 HZ2 6.8160 1.4490 20.7730 H 91 LYS91 0.2742 1481 HZ3 7.3620 2.3660 19.4560 H 91 LYS91 0.2742 1482 N 11.8230 6.9860 24.4970 N.am 92 HIS92 -0.2453 1483 CA 13.1680 7.0280 25.0540 C.3 92 HIS92 0.0932 1484 C 13.5550 8.4560 25.3450 C.2 92 HIS92 0.2190 1485 O 13.3810 9.3290 24.4960 O.2 92 HIS92 -0.2778 1486 CB 14.1500 6.3900 24.0600 C.3 92 HIS92 0.0146 1487 CG 13.6460 5.0260 23.6450 C.ar 92 HIS92 0.0551 1488 ND1 13.4790 3.9820 24.4870 N.ar 92 HIS92 -0.2469 1489 CD2 13.1850 4.6380 22.3780 C.ar 92 HIS92 0.0047 1490 CE1 13.0070 2.9730 23.7390 C.ar 92 HIS92 0.0737 1491 NE2 12.7940 3.3440 22.4620 N.ar 92 HIS92 -0.2539 1492 H 11.5870 7.5720 23.6960 H 92 HIS92 0.1312 1493 HA 13.2100 6.4720 25.9920 H 92 HIS92 0.0561 1494 HB1 15.1300 6.2720 24.5180 H 92 HIS92 0.0348 1495 HB2 14.2800 7.0100 23.1710 H 92 HIS92 0.0348 1496 HD2 13.1670 5.2740 21.5070 H 92 HIS92 0.0764 1497 HE1 12.8320 1.9800 24.1280 H 92 HIS92 0.0963 1498 HE2 12.4790 2.7790 21.7290 H 92 HIS92 0.1339 1499 N 14.0290 8.7100 26.5550 N.am 93 ALA93 -0.2459 1500 CA 14.4870 10.0470 26.9120 C.3 93 ALA93 0.0850 1501 C 15.9250 10.2380 26.1980 C.2 93 ALA93 0.2184 1502 O 16.1350 11.2430 25.5160 O.2 93 ALA93 -0.2778 1503 CB 14.5970 10.1880 28.4320 C.3 93 ALA93 -0.0411 1504 H 14.0740 7.9610 27.2460 H 93 ALA93 0.1312 1505 HA 13.7890 10.7810 26.5040 H 93 ALA93 0.0554 1506 HB1 14.9600 11.1800 28.7030 H 93 ALA93 0.0249 1507 HB2 15.2860 9.4530 28.8480 H 93 ALA93 0.0249 1508 HB3 13.6260 10.0470 28.9040 H 93 ALA93 0.0249 1509 N 16.8080 9.2270 26.2760 N.am 94 ASP94 -0.2451 1510 CA 18.1530 9.3480 25.6860 C.3 94 ASP94 0.0974 1511 C 18.7730 10.6320 26.2050 C.2 94 ASP94 0.2190 1512 O 18.8640 10.8020 27.4140 O.2 94 ASP94 -0.2778 1513 CB 18.1280 9.3200 24.1360 C.3 94 ASP94 0.0576 1514 CG 17.8310 7.9570 23.5180 C.2 94 ASP94 0.1780 1515 OD1 17.4230 7.0470 24.2300 O.co2 94 ASP94 -0.6478 1516 OD2 18.0240 7.8250 22.3110 O.co2 94 ASP94 -0.6478 1517 H 16.5430 8.3640 26.7500 H 94 ASP94 0.1312 1518 HA 18.7340 8.5110 26.0720 H 94 ASP94 0.0563 1519 HB1 19.1050 9.5920 23.7380 H 94 ASP94 0.0394 1520 HB2 17.4080 10.0310 23.7360 H 94 ASP94 0.0394 1521 N 19.1460 11.5560 25.3260 N.am 95 GLY95 -0.2485 1522 CA 19.7530 12.7880 25.8120 C.3 95 GLY95 0.0765 1523 C 18.7860 13.9440 26.0420 C.2 95 GLY95 0.2155 1524 O 19.2120 15.0810 26.3300 O.2 95 GLY95 -0.2781 1525 H 19.0090 11.4050 24.3270 H 95 GLY95 0.1309 1526 HA1 20.4750 13.0850 25.0600 H 95 GLY95 0.0521 1527 HA2 20.3120 12.5960 26.7290 H 95 GLY95 0.0521 1528 N 17.4900 13.6860 25.9080 N.am 96 LEU96 -0.2459 1529 CA 16.4860 14.7520 26.0980 C.3 96 LEU96 0.0880 1530 C 16.1680 14.9720 27.5440 C.2 96 LEU96 0.2187 1531 O 16.3520 14.0600 28.3650 O.2 96 LEU96 -0.2778 1532 CB 15.1880 14.3910 25.3530 C.3 96 LEU96 -0.0266 1533 CG 15.3580 14.1470 23.8440 C.3 96 LEU96 -0.0449 1534 CD1 13.9980 13.8190 23.2190 C.3 96 LEU96 -0.0626 1535 CD2 15.9910 15.3400 23.1200 C.3 96 LEU96 -0.0626 1536 H 17.1850 12.7420 25.6710 H 96 LEU96 0.1312 1537 HA 16.9000 15.6780 25.6990 H 96 LEU96 0.0557 1538 HB1 14.4540 15.1870 25.4940 H 96 LEU96 0.0287 1539 HB2 14.7500 13.4980 25.8020 H 96 LEU96 0.0287 1540 HG 16.0070 13.2820 23.6990 H 96 LEU96 0.0296 1541 HD11 14.0890 13.6780 22.1430 H 96 LEU96 0.0232 1542 HD12 13.2800 14.6230 23.3840 H 96 LEU96 0.0232 1543 HD13 13.5850 12.9070 23.6520 H 96 LEU96 0.0232 1544 HD21 16.1040 15.1280 22.0580 H 96 LEU96 0.0232 1545 HD22 16.9830 15.5660 23.5080 H 96 LEU96 0.0232 1546 HD23 15.3720 16.2300 23.2190 H 96 LEU96 0.0232 1547 N 15.6360 16.1560 27.8850 N.am 97 CYS97 -0.2449 1548 CA 15.3000 16.4530 29.2680 C.3 97 CYS97 0.0965 1549 C 14.2130 15.5070 29.8190 C.2 97 CYS97 0.2195 1550 O 14.1160 15.3080 31.0340 O.2 97 CYS97 -0.2778 1551 CB 14.9820 17.9280 29.4520 C.3 97 CYS97 0.0147 1552 SG 13.4370 18.5080 28.7070 S.3 97 CYS97 -0.1762 1553 H 15.4650 16.8570 27.1640 H 97 CYS97 0.1312 1554 HA 16.2050 16.2360 29.8380 H 97 CYS97 0.0565 1555 HB1 15.8160 18.4900 29.0380 H 97 CYS97 0.0394 1556 HB2 14.9670 18.1480 30.5150 H 97 CYS97 0.0394 1557 HG 12.4110 18.0690 29.4480 H 97 CYS97 0.1017 1558 N 13.4140 14.9360 28.9180 N.am 98 HIS98 -0.2453 1559 CA 12.3550 14.0030 29.2960 C.3 98 HIS98 0.0932 1560 C 11.8400 13.3940 28.0370 C.2 98 HIS98 0.2190 1561 O 12.0040 13.9620 26.9660 O.2 98 HIS98 -0.2778 1562 CB 11.2310 14.7820 30.0160 C.3 98 HIS98 0.0146 1563 CG 10.3250 13.8460 30.7820 C.ar 98 HIS98 0.0551 1564 ND1 9.0800 13.5010 30.3920 N.ar 98 HIS98 -0.2469 1565 CD2 10.5670 13.2670 32.0380 C.ar 98 HIS98 0.0047 1566 CE1 8.5760 12.7450 31.3790 C.ar 98 HIS98 0.0737 1567 NE2 9.4560 12.5740 32.3830 N.ar 98 HIS98 -0.2539 1568 H 13.5460 15.1580 27.9310 H 98 HIS98 0.1312 1569 HA 12.8080 13.2340 29.9240 H 98 HIS98 0.0561 1570 HB1 10.6430 15.3790 29.3160 H 98 HIS98 0.0348 1571 HB2 11.6460 15.4880 30.7350 H 98 HIS98 0.0348 1572 HD2 11.4710 13.3820 32.6180 H 98 HIS98 0.0764 1573 HE1 7.5720 12.3450 31.3640 H 98 HIS98 0.0963 1574 HE2 9.3130 12.0660 33.2090 H 98 HIS98 0.1339 1575 N 11.2440 12.2060 28.1110 N.am 99 ARG99 -0.2456 1576 CA 10.6670 11.6270 26.9070 C.3 99 ARG99 0.0879 1577 C 9.4600 12.5420 26.5190 C.2 99 ARG99 0.2187 1578 O 8.8660 13.1970 27.3860 O.2 99 ARG99 -0.2778 1579 CB 10.2540 10.1660 27.1260 C.3 99 ARG99 -0.0258 1580 CG 9.1080 9.9860 28.1320 C.3 99 ARG99 -0.0154 1581 CD 8.6120 8.5330 28.1790 C.3 99 ARG99 0.1045 1582 NE 7.2810 8.4420 28.7890 N.pl3 99 ARG99 -0.4450 1583 CZ 6.1630 8.8770 28.2050 C.cat 99 ARG99 0.5062 1584 NH1 6.1730 9.4230 27.0190 N.pl3 99 ARG99 -0.4573 1585 NH2 5.0250 8.7560 28.8310 N.pl3 99 ARG99 -0.4573 1586 H 11.1920 11.7080 29.0000 H 99 ARG99 0.1312 1587 HA 11.4220 11.6790 26.1180 H 99 ARG99 0.0557 1588 HB1 11.1240 9.5900 27.4440 H 99 ARG99 0.0286 1589 HB2 9.9570 9.7470 26.1640 H 99 ARG99 0.0286 1590 HG1 8.2850 10.6430 27.8560 H 99 ARG99 0.0299 1591 HG2 9.4200 10.3070 29.1260 H 99 ARG99 0.0299 1592 HD1 9.2920 7.9160 28.7710 H 99 ARG99 0.0711 1593 HD2 8.5710 8.0780 27.1880 H 99 ARG99 0.0711 1594 HE 7.2020 8.0310 29.6950 H 99 ARG99 0.3153 1595 HH11 5.3490 9.7860 26.5930 H 99 ARG99 0.3114 1596 HH12 7.0330 9.4870 26.5130 H 99 ARG99 0.3114 1597 HH21 4.1870 9.0830 28.4010 H 99 ARG99 0.3114 1598 HH22 4.9910 8.3380 29.7350 H 99 ARG99 0.3114 1599 N 9.1290 12.5840 25.2430 N.am 100 LEU100 -0.2456 1600 CA 7.9940 13.3900 24.7930 C.3 100 LEU100 0.0880 1601 C 6.6930 12.7150 25.2870 C.2 100 LEU100 0.2187 1602 O 6.5180 11.4940 25.1270 O.2 100 LEU100 -0.2778 1603 CB 8.0520 13.5020 23.2600 C.3 100 LEU100 -0.0266 1604 CG 9.4000 14.0120 22.7110 C.3 100 LEU100 -0.0449 1605 CD1 9.3770 14.0500 21.1770 C.3 100 LEU100 -0.0626 1606 CD2 9.7810 15.3840 23.2880 C.3 100 LEU100 -0.0626 1607 H 9.6700 12.0490 24.5630 H 100 LEU100 0.1312 1608 HA 8.0790 14.3780 25.2510 H 100 LEU100 0.0557 1609 HB1 7.2500 14.1500 22.9120 H 100 LEU100 0.0287 1610 HB2 7.8590 12.5260 22.8220 H 100 LEU100 0.0287 1611 HG 10.1820 13.3070 22.9950 H 100 LEU100 0.0296 1612 HD11 10.3430 14.3560 20.7750 H 100 LEU100 0.0232 1613 HD12 8.6250 14.7500 20.8110 H 100 LEU100 0.0232 1614 HD13 9.1440 13.0670 20.7650 H 100 LEU100 0.0232 1615 HD21 10.7320 15.7290 22.8850 H 100 LEU100 0.0232 1616 HD22 9.8920 15.3510 24.3720 H 100 LEU100 0.0232 1617 HD23 9.0280 16.1330 23.0510 H 100 LEU100 0.0232 1618 N 5.8020 13.5180 25.8680 N.am 101 THR101 -0.2434 1619 CA 4.5550 13.0130 26.4010 C.3 101 THR101 0.1135 1620 C 3.3370 13.4880 25.5760 C.2 101 THR101 0.2213 1621 O 2.8730 12.7810 24.6640 O.2 101 THR101 -0.2777 1622 CB 4.4570 13.4340 27.8890 C.3 101 THR101 0.0763 1623 OG1 4.6120 14.8380 27.9830 O.3 101 THR101 -0.3900 1624 CG2 5.5300 12.7350 28.7420 C.3 101 THR101 -0.0370 1625 H 6.0040 14.5150 25.9390 H 101 THR101 0.1313 1626 HA 4.5480 11.9260 26.3430 H 101 THR101 0.0583 1627 HB 3.4650 13.1600 28.2630 H 101 THR101 0.0611 1628 HG1 4.6290 15.1400 28.8890 H 101 THR101 0.2098 1629 HG21 5.4080 12.9500 29.8040 H 101 THR101 0.0255 1630 HG22 6.5330 13.0530 28.4580 H 101 THR101 0.0255 1631 HG23 5.4790 11.6550 28.6240 H 101 THR101 0.0255 1632 N 2.8990 14.7210 25.7960 N.am 102 THR102 -0.2433 1633 CA 1.7450 15.2320 25.0530 C.3 102 THR102 0.1135 1634 C 1.9960 16.4930 24.3360 C.2 102 THR102 0.2212 1635 O 2.9130 17.2480 24.6730 O.2 102 THR102 -0.2777 1636 CB 0.5740 15.4360 26.0400 C.3 102 THR102 0.0763 1637 OG1 0.9990 16.2860 27.0960 O.3 102 THR102 -0.3900 1638 CG2 0.0870 14.0990 26.6190 C.3 102 THR102 -0.0370 1639 H 3.3660 15.3130 26.4830 H 102 THR102 0.1313 1640 HA 1.4390 14.5100 24.2940 H 102 THR102 0.0583 1641 HB -0.2600 15.9000 25.4980 H 102 THR102 0.0611 1642 HG1 0.2740 16.5150 27.6690 H 102 THR102 0.2098 1643 HG21 -0.8080 14.2280 27.2280 H 102 THR102 0.0255 1644 HG22 0.8500 13.6370 27.2460 H 102 THR102 0.0255 1645 HG23 -0.1600 13.3980 25.8220 H 102 THR102 0.0255 1646 N 1.1910 16.7200 23.3170 N.am 103 VAL103 -0.2453 1647 CA 1.2890 17.9100 22.5040 C.3 103 VAL103 0.0901 1648 C 0.9470 19.1650 23.3030 C.2 103 VAL103 0.2189 1649 O 0.0090 19.1790 24.1050 O.2 103 VAL103 -0.2778 1650 CB 0.4770 17.7720 21.2090 C.3 103 VAL103 -0.0227 1651 CG1 0.7230 18.9800 20.2900 C.3 103 VAL103 -0.0608 1652 CG2 0.8480 16.4600 20.5020 C.3 103 VAL103 -0.0608 1653 H 0.4730 16.0300 23.0950 H 103 VAL103 0.1312 1654 HA 2.3440 17.9800 22.2260 H 103 VAL103 0.0560 1655 HB -0.5870 17.7370 21.4450 H 103 VAL103 0.0315 1656 HG11 0.2450 18.8500 19.3210 H 103 VAL103 0.0233 1657 HG12 1.7890 19.1280 20.1230 H 103 VAL103 0.0233 1658 HG13 0.3230 19.8990 20.7180 H 103 VAL103 0.0233 1659 HG21 0.5320 16.4670 19.4620 H 103 VAL103 0.0233 1660 HG22 0.3770 15.6000 20.9780 H 103 VAL103 0.0233 1661 HG23 1.9240 16.2900 20.5120 H 103 VAL103 0.0233 1662 N 1.7350 20.2090 23.0890 N.am 104 CYS104 -0.2448 1663 CA 1.5300 21.4700 23.7870 C.3 104 CYS104 0.0967 1664 C 0.1700 22.0900 23.4530 C.2 104 CYS104 0.2221 1665 O -0.3010 22.0210 22.3310 O.2 104 CYS104 -0.2775 1666 CB 2.6570 22.4190 23.3600 C.3 104 CYS104 0.0147 1667 SG 2.7580 23.9350 24.3450 S.3 104 CYS104 -0.1762 1668 H 2.5010 20.1270 22.4210 H 104 CYS104 0.1312 1669 HA 1.6430 21.2340 24.8300 H 104 CYS104 0.0565 1670 HB1 2.5460 22.6850 22.3080 H 104 CYS104 0.0394 1671 HB2 3.6130 21.9010 23.4420 H 104 CYS104 0.0394 1672 HG 3.7190 24.7260 23.8630 H 104 CYS104 0.1017 1673 N -0.5020 22.6150 24.4630 N.am 105 PRO105 -0.2315 1674 CA -1.8010 23.2570 24.2630 C.3 105 PRO105 0.0907 1675 C -1.5580 24.5490 23.4810 C.2 105 PRO105 0.2189 1676 O -0.4810 25.1370 23.5850 O.2 105 PRO105 -0.2778 1677 CB -2.3110 23.5900 25.6770 C.3 105 PRO105 -0.0276 1678 CG -1.3890 22.8560 26.6420 C.3 105 PRO105 -0.0379 1679 CD -0.0960 22.5920 25.8750 C.3 105 PRO105 0.0071 1680 HA -2.4510 22.5680 23.7220 H 105 PRO105 0.0559 1681 HB1 -3.3520 23.2960 25.8120 H 105 PRO105 0.0285 1682 HB2 -2.2550 24.6590 25.8910 H 105 PRO105 0.0285 1683 HG1 -1.8440 21.9030 26.9140 H 105 PRO105 0.0278 1684 HG2 -1.2170 23.4090 27.5670 H 105 PRO105 0.0278 1685 HD1 0.6530 23.3700 26.0270 H 105 PRO105 0.0431 1686 HD2 0.2770 21.6150 26.1760 H 105 PRO105 0.0431 1687 N -2.5380 24.9790 22.6910 N.am 106 THR106 -0.2448 1688 CA -2.4440 26.2300 21.9290 C.3 106 THR106 0.0954 1689 C -3.0180 27.4800 22.7430 C.2 106 THR106 0.1400 1690 O -3.6320 27.3050 23.8160 O.2 106 THR106 -0.2993 1691 CB -3.1470 26.0610 20.5690 C.3 106 THR106 0.0747 1692 OG1 -2.5960 24.9050 19.9600 O.3 106 THR106 -0.3901 1693 CG2 -2.9470 27.2780 19.6460 C.3 106 THR106 -0.0371 1694 H -3.3870 24.4190 22.6120 H 106 THR106 0.1312 1695 HA -1.3860 26.4130 21.7330 H 106 THR106 0.0566 1696 H -2.8710 28.5020 22.3550 H 106 THR106 0.1044 1697 HB -4.2150 25.9000 20.7540 H 106 THR106 0.0610 1698 HG1 -3.0010 24.7260 19.1170 H 106 THR106 0.2098 1699 HG21 -3.4530 27.1490 18.6890 H 106 THR106 0.0255 1700 HG22 -1.8880 27.4410 19.4430 H 106 THR106 0.0255 1701 HG23 -3.3460 28.1890 20.0910 H 106 THR106 0.0255 @BOND 1 1 2 1 2 1 7 1 3 1 8 1 4 1 9 1 5 2 5 1 6 2 3 1 7 2 10 1 8 3 4 2 9 3 14 am 10 5 6 1 11 5 11 1 12 5 12 1 13 6 13 1 14 14 15 1 15 14 22 1 16 15 18 1 17 15 16 1 18 15 23 1 19 16 17 2 20 16 33 am 21 18 20 1 22 18 19 1 23 18 24 1 24 19 21 1 25 19 25 1 26 19 26 1 27 20 27 1 28 20 28 1 29 20 29 1 30 21 30 1 31 21 31 1 32 21 32 1 33 33 34 1 34 33 42 1 35 34 37 1 36 34 35 1 37 34 43 1 38 35 36 2 39 35 50 am 40 37 38 1 41 37 44 1 42 37 45 1 43 38 39 1 44 38 46 1 45 38 47 1 46 39 40 2 47 39 41 am 48 41 48 1 49 41 49 1 50 50 51 1 51 50 55 1 52 51 54 1 53 51 52 1 54 51 56 1 55 52 53 2 56 52 60 am 57 54 57 1 58 54 58 1 59 54 59 1 60 60 61 1 61 60 69 1 62 61 64 1 63 61 62 1 64 61 70 1 65 62 63 2 66 62 75 am 67 64 65 1 68 64 71 1 69 64 72 1 70 65 66 1 71 65 73 1 72 65 74 1 73 66 67 ar 74 66 68 ar 75 75 76 1 76 75 84 1 77 76 79 1 78 76 77 1 79 76 85 1 80 77 78 2 81 77 90 am 82 79 80 1 83 79 86 1 84 79 87 1 85 80 81 1 86 80 88 1 87 80 89 1 88 81 82 ar 89 81 83 ar 90 90 91 1 91 90 104 1 92 91 94 1 93 91 92 1 94 91 105 1 95 92 93 2 96 92 114 am 97 94 95 1 98 94 106 1 99 94 107 1 100 95 96 ar 101 95 97 ar 102 96 98 ar 103 96 108 1 104 97 99 ar 105 97 100 ar 106 98 99 ar 107 98 109 1 108 99 101 ar 109 100 102 ar 110 100 110 1 111 101 103 ar 112 101 111 1 113 102 103 ar 114 102 112 1 115 103 113 1 116 114 115 1 117 114 126 1 118 115 118 1 119 115 116 1 120 115 127 1 121 116 117 2 122 116 135 am 123 118 119 1 124 118 128 1 125 118 129 1 126 119 120 ar 127 119 121 ar 128 120 122 ar 129 120 130 1 130 121 123 ar 131 121 131 1 132 122 124 ar 133 122 132 1 134 123 124 ar 135 123 133 1 136 124 125 1 137 125 134 1 138 135 136 1 139 135 146 1 140 136 139 1 141 136 137 1 142 136 147 1 143 137 138 2 144 137 155 am 145 139 140 1 146 139 148 1 147 139 149 1 148 140 141 ar 149 140 142 ar 150 141 143 ar 151 141 150 1 152 142 144 ar 153 142 151 1 154 143 145 ar 155 143 152 1 156 144 145 ar 157 144 153 1 158 145 154 1 159 155 156 1 160 155 159 1 161 156 157 1 162 156 160 1 163 156 161 1 164 157 158 2 165 157 162 am 166 162 163 1 167 162 171 1 168 163 166 1 169 163 164 1 170 163 172 1 171 164 165 2 172 164 184 am 173 166 167 1 174 166 173 1 175 166 174 1 176 167 168 1 177 167 175 1 178 167 176 1 179 168 169 1 180 168 177 1 181 168 178 1 182 169 170 1 183 169 179 1 184 169 180 1 185 170 181 1 186 170 182 1 187 170 183 1 188 184 185 1 189 184 192 1 190 185 188 1 191 185 186 1 192 185 193 1 193 186 187 2 194 186 203 am 195 188 190 1 196 188 189 1 197 188 194 1 198 189 191 1 199 189 195 1 200 189 196 1 201 190 197 1 202 190 198 1 203 190 199 1 204 191 200 1 205 191 201 1 206 191 202 1 207 203 204 1 208 203 210 1 209 204 207 1 210 204 205 1 211 204 211 1 212 205 206 2 213 205 217 am 214 207 209 1 215 207 208 1 216 207 212 1 217 208 213 1 218 209 214 1 219 209 215 1 220 209 216 1 221 217 218 1 222 217 228 1 223 218 221 1 224 218 219 1 225 218 229 1 226 219 220 2 227 219 241 am 228 221 222 1 229 221 230 1 230 221 231 1 231 222 223 1 232 222 232 1 233 222 233 1 234 223 224 1 235 223 234 1 236 223 235 1 237 224 225 ar 238 224 236 1 239 225 226 ar 240 225 227 ar 241 226 237 1 242 226 238 1 243 227 239 1 244 227 240 1 245 241 242 1 246 241 252 1 247 242 245 1 248 242 243 1 249 242 253 1 250 243 244 2 251 243 265 am 252 245 246 1 253 245 254 1 254 245 255 1 255 246 247 1 256 246 256 1 257 246 257 1 258 247 248 1 259 247 258 1 260 247 259 1 261 248 249 ar 262 248 260 1 263 249 250 ar 264 249 251 ar 265 250 261 1 266 250 262 1 267 251 263 1 268 251 264 1 269 265 266 1 270 265 274 1 271 266 269 1 272 266 267 1 273 266 275 1 274 267 268 2 275 267 280 am 276 269 270 1 277 269 276 1 278 269 277 1 279 270 271 1 280 270 278 1 281 270 279 1 282 271 272 ar 283 271 273 ar 284 280 281 1 285 280 286 1 286 281 284 1 287 281 282 1 288 281 287 1 289 282 283 2 290 282 291 am 291 284 285 1 292 284 288 1 293 284 289 1 294 285 290 1 295 291 292 1 296 291 300 1 297 292 295 1 298 292 293 1 299 292 301 1 300 293 294 2 301 293 306 am 302 295 296 1 303 295 302 1 304 295 303 1 305 296 297 1 306 296 304 1 307 296 305 1 308 297 298 ar 309 297 299 ar 310 306 307 1 311 306 317 1 312 307 310 1 313 307 308 1 314 307 318 1 315 308 309 2 316 308 330 am 317 310 311 1 318 310 319 1 319 310 320 1 320 311 312 1 321 311 321 1 322 311 322 1 323 312 313 1 324 312 323 1 325 312 324 1 326 313 314 ar 327 313 325 1 328 314 315 ar 329 314 316 ar 330 315 326 1 331 315 327 1 332 316 328 1 333 316 329 1 334 330 331 1 335 330 338 1 336 331 334 1 337 331 332 1 338 331 339 1 339 332 333 2 340 332 349 am 341 334 335 1 342 334 340 1 343 334 341 1 344 335 336 1 345 335 337 1 346 335 342 1 347 336 343 1 348 336 344 1 349 336 345 1 350 337 346 1 351 337 347 1 352 337 348 1 353 349 350 1 354 349 357 1 355 350 353 1 356 350 351 1 357 350 358 1 358 351 352 2 359 351 368 am 360 353 354 1 361 353 359 1 362 353 360 1 363 354 355 1 364 354 356 1 365 354 361 1 366 355 362 1 367 355 363 1 368 355 364 1 369 356 365 1 370 356 366 1 371 356 367 1 372 368 369 1 373 368 376 1 374 369 372 1 375 369 370 1 376 369 377 1 377 370 371 2 378 370 387 am 379 372 373 1 380 372 378 1 381 372 379 1 382 373 374 1 383 373 375 1 384 373 380 1 385 374 381 1 386 374 382 1 387 374 383 1 388 375 384 1 389 375 385 1 390 375 386 1 391 387 388 1 392 387 395 1 393 388 391 1 394 388 389 1 395 388 396 1 396 389 390 2 397 389 401 am 398 391 392 1 399 391 397 1 400 391 398 1 401 392 393 2 402 392 394 am 403 394 399 1 404 394 400 1 405 401 402 1 406 401 406 1 407 402 405 1 408 402 403 1 409 402 407 1 410 403 404 2 411 403 411 am 412 405 408 1 413 405 409 1 414 405 410 1 415 411 412 1 416 411 420 1 417 412 415 1 418 412 413 1 419 412 421 1 420 413 414 2 421 413 426 am 422 415 416 1 423 415 422 1 424 415 423 1 425 416 417 1 426 416 424 1 427 416 425 1 428 417 418 ar 429 417 419 ar 430 426 427 1 431 426 434 1 432 427 430 1 433 427 428 1 434 427 435 1 435 428 429 2 436 428 440 am 437 430 431 1 438 430 436 1 439 430 437 1 440 431 432 2 441 431 433 am 442 433 438 1 443 433 439 1 444 440 451 1 445 440 441 1 446 441 445 1 447 441 443 1 448 441 442 1 449 443 444 2 450 443 454 am 451 445 448 1 452 445 446 1 453 445 447 1 454 448 451 1 455 448 449 1 456 448 450 1 457 451 452 1 458 451 453 1 459 454 455 1 460 454 465 1 461 455 458 1 462 455 456 1 463 455 466 1 464 456 457 2 465 456 478 am 466 458 459 1 467 458 467 1 468 458 468 1 469 459 460 1 470 459 469 1 471 459 470 1 472 460 461 1 473 460 471 1 474 460 472 1 475 461 462 ar 476 461 473 1 477 462 463 ar 478 462 464 ar 479 463 474 1 480 463 475 1 481 464 476 1 482 464 477 1 483 478 479 1 484 478 482 1 485 479 480 1 486 479 483 1 487 479 484 1 488 480 481 2 489 480 485 am 490 485 486 1 491 485 492 1 492 486 489 1 493 486 487 1 494 486 493 1 495 487 488 2 496 487 499 am 497 489 491 1 498 489 490 1 499 489 494 1 500 490 495 1 501 491 496 1 502 491 497 1 503 491 498 1 504 499 500 1 505 499 510 1 506 500 503 1 507 500 501 1 508 500 511 1 509 501 502 2 510 501 519 am 511 503 504 1 512 503 512 1 513 503 513 1 514 504 505 ar 515 504 506 ar 516 505 507 ar 517 505 514 1 518 506 508 ar 519 506 515 1 520 507 509 ar 521 507 516 1 522 508 509 ar 523 508 517 1 524 509 518 1 525 519 520 1 526 519 527 1 527 520 523 1 528 520 521 1 529 520 528 1 530 521 522 2 531 521 538 am 532 523 524 1 533 523 529 1 534 523 530 1 535 524 525 1 536 524 526 1 537 524 531 1 538 525 532 1 539 525 533 1 540 525 534 1 541 526 535 1 542 526 536 1 543 526 537 1 544 538 539 1 545 538 545 1 546 539 542 1 547 539 540 1 548 539 546 1 549 540 541 2 550 540 554 am 551 542 543 1 552 542 544 1 553 542 547 1 554 543 548 1 555 543 549 1 556 543 550 1 557 544 551 1 558 544 552 1 559 544 553 1 560 554 555 1 561 554 565 1 562 555 558 1 563 555 556 1 564 555 566 1 565 556 557 2 566 556 578 am 567 558 559 1 568 558 567 1 569 558 568 1 570 559 560 1 571 559 569 1 572 559 570 1 573 560 561 1 574 560 571 1 575 560 572 1 576 561 562 ar 577 561 573 1 578 562 563 ar 579 562 564 ar 580 563 574 1 581 563 575 1 582 564 576 1 583 564 577 1 584 578 579 1 585 578 587 1 586 579 582 1 587 579 580 1 588 579 588 1 589 580 581 2 590 580 593 am 591 582 583 1 592 582 589 1 593 582 590 1 594 583 584 1 595 583 591 1 596 583 592 1 597 584 585 ar 598 584 586 ar 599 593 594 1 600 593 599 1 601 594 597 1 602 594 595 1 603 594 600 1 604 595 596 2 605 595 604 am 606 597 598 1 607 597 601 1 608 597 602 1 609 598 603 1 610 604 605 1 611 604 613 1 612 605 608 1 613 605 606 1 614 605 614 1 615 606 607 2 616 606 619 am 617 608 609 1 618 608 615 1 619 608 616 1 620 609 610 1 621 609 617 1 622 609 618 1 623 610 611 ar 624 610 612 ar 625 619 620 1 626 619 626 1 627 620 623 1 628 620 621 1 629 620 627 1 630 621 622 2 631 621 633 am 632 623 625 1 633 623 624 1 634 623 628 1 635 624 629 1 636 625 630 1 637 625 631 1 638 625 632 1 639 633 634 1 640 633 640 1 641 634 637 1 642 634 635 1 643 634 641 1 644 635 636 2 645 635 647 am 646 637 639 1 647 637 638 1 648 637 642 1 649 638 643 1 650 639 644 1 651 639 645 1 652 639 646 1 653 647 648 1 654 647 656 1 655 648 651 1 656 648 649 1 657 648 657 1 658 649 650 2 659 649 669 am 660 651 652 1 661 651 658 1 662 651 659 1 663 652 653 1 664 652 660 1 665 652 661 1 666 653 654 1 667 653 662 1 668 653 663 1 669 654 655 1 670 654 664 1 671 654 665 1 672 655 666 1 673 655 667 1 674 655 668 1 675 669 670 1 676 669 673 1 677 670 671 1 678 670 674 1 679 670 675 1 680 671 672 2 681 671 676 am 682 676 677 1 683 676 681 1 684 677 680 1 685 677 678 1 686 677 682 1 687 678 679 2 688 678 686 am 689 680 683 1 690 680 684 1 691 680 685 1 692 686 687 1 693 686 698 1 694 687 690 1 695 687 688 1 696 687 699 1 697 688 689 2 698 688 707 am 699 690 691 1 700 690 700 1 701 690 701 1 702 691 692 ar 703 691 693 ar 704 692 694 ar 705 692 702 1 706 693 695 ar 707 693 703 1 708 694 696 ar 709 694 704 1 710 695 696 ar 711 695 705 1 712 696 697 1 713 697 706 1 714 707 708 1 715 707 713 1 716 708 711 1 717 708 709 1 718 708 714 1 719 709 710 2 720 709 718 am 721 711 712 1 722 711 715 1 723 711 716 1 724 712 717 1 725 718 719 1 726 718 726 1 727 719 722 1 728 719 720 1 729 719 727 1 730 720 721 2 731 720 737 am 732 722 723 1 733 722 728 1 734 722 729 1 735 723 724 1 736 723 725 1 737 723 730 1 738 724 731 1 739 724 732 1 740 724 733 1 741 725 734 1 742 725 735 1 743 725 736 1 744 737 738 1 745 737 743 1 746 738 741 1 747 738 739 1 748 738 744 1 749 739 740 2 750 739 748 am 751 741 742 1 752 741 745 1 753 741 746 1 754 742 747 1 755 748 749 1 756 748 755 1 757 749 752 1 758 749 750 1 759 749 756 1 760 750 751 2 761 750 764 am 762 752 753 1 763 752 754 1 764 752 757 1 765 753 758 1 766 753 759 1 767 753 760 1 768 754 761 1 769 754 762 1 770 754 763 1 771 764 765 1 772 764 770 1 773 765 768 1 774 765 766 1 775 765 771 1 776 766 767 2 777 766 775 am 778 768 769 1 779 768 772 1 780 768 773 1 781 769 774 1 782 775 776 1 783 775 783 1 784 776 779 1 785 776 777 1 786 776 784 1 787 777 778 2 788 777 787 am 789 779 780 1 790 779 785 1 791 779 786 1 792 780 781 ar 793 780 782 ar 794 787 788 1 795 787 798 1 796 788 791 1 797 788 789 1 798 788 799 1 799 789 790 2 800 789 807 am 801 791 792 1 802 791 800 1 803 791 801 1 804 792 793 ar 805 792 794 ar 806 793 795 ar 807 793 802 1 808 794 796 ar 809 794 803 1 810 795 797 ar 811 795 804 1 812 796 797 ar 813 796 805 1 814 797 806 1 815 807 808 1 816 807 815 1 817 808 811 1 818 808 809 1 819 808 816 1 820 809 810 2 821 809 819 am 822 811 812 1 823 811 817 1 824 811 818 1 825 812 813 ar 826 812 814 ar 827 819 820 1 828 819 827 1 829 820 823 1 830 820 821 1 831 820 828 1 832 821 822 2 833 821 833 am 834 823 824 1 835 823 829 1 836 823 830 1 837 824 825 2 838 824 826 am 839 826 831 1 840 826 832 1 841 833 834 1 842 833 838 1 843 834 837 1 844 834 835 1 845 834 839 1 846 835 836 2 847 835 843 am 848 837 840 1 849 837 841 1 850 837 842 1 851 843 844 1 852 843 852 1 853 844 847 1 854 844 845 1 855 844 853 1 856 845 846 2 857 845 865 am 858 847 848 1 859 847 854 1 860 847 855 1 861 848 849 1 862 848 856 1 863 848 857 1 864 849 850 1 865 849 858 1 866 849 859 1 867 850 851 1 868 850 860 1 869 850 861 1 870 851 862 1 871 851 863 1 872 851 864 1 873 865 866 1 874 865 869 1 875 866 867 1 876 866 870 1 877 866 871 1 878 867 868 2 879 867 872 am 880 872 873 1 881 872 880 1 882 873 876 1 883 873 874 1 884 873 881 1 885 874 875 2 886 874 891 am 887 876 877 1 888 876 882 1 889 876 883 1 890 877 878 1 891 877 879 1 892 877 884 1 893 878 885 1 894 878 886 1 895 878 887 1 896 879 888 1 897 879 889 1 898 879 890 1 899 891 892 1 900 891 899 1 901 892 895 1 902 892 893 1 903 892 900 1 904 893 894 2 905 893 905 am 906 895 896 1 907 895 901 1 908 895 902 1 909 896 897 2 910 896 898 am 911 898 903 1 912 898 904 1 913 905 906 1 914 905 912 1 915 906 909 1 916 906 907 1 917 906 913 1 918 907 908 2 919 907 921 am 920 909 910 1 921 909 911 1 922 909 914 1 923 910 915 1 924 910 916 1 925 910 917 1 926 911 918 1 927 911 919 1 928 911 920 1 929 921 922 1 930 921 930 1 931 922 925 1 932 922 923 1 933 922 931 1 934 923 924 2 935 923 943 am 936 925 926 1 937 925 932 1 938 925 933 1 939 926 927 1 940 926 934 1 941 926 935 1 942 927 928 1 943 927 936 1 944 927 937 1 945 928 929 1 946 928 938 1 947 928 939 1 948 929 940 1 949 929 941 1 950 929 942 1 951 943 944 1 952 943 953 1 953 944 947 1 954 944 945 1 955 944 954 1 956 945 946 2 957 945 960 am 958 947 948 1 959 947 955 1 960 947 956 1 961 948 949 ar 962 948 950 ar 963 949 951 ar 964 950 952 ar 965 950 957 1 966 951 952 ar 967 951 958 1 968 952 959 1 969 960 961 1 970 960 972 1 971 961 964 1 972 961 962 1 973 961 973 1 974 962 963 2 975 962 981 am 976 964 965 1 977 964 974 1 978 964 975 1 979 965 966 ar 980 965 967 ar 981 966 968 ar 982 966 976 1 983 967 969 ar 984 967 977 1 985 968 970 ar 986 968 978 1 987 969 970 ar 988 969 979 1 989 970 971 1 990 971 980 1 991 981 982 1 992 981 990 1 993 982 985 1 994 982 983 1 995 982 991 1 996 983 984 2 997 983 1003 am 998 985 986 1 999 985 992 1 1000 985 993 1 1001 986 987 1 1002 986 994 1 1003 986 995 1 1004 987 988 1 1005 987 996 1 1006 987 997 1 1007 988 989 1 1008 988 998 1 1009 988 999 1 1010 989 1000 1 1011 989 1001 1 1012 989 1002 1 1013 1003 1004 1 1014 1003 1011 1 1015 1004 1007 1 1016 1004 1005 1 1017 1004 1012 1 1018 1005 1006 2 1019 1005 1022 am 1020 1007 1009 1 1021 1007 1008 1 1022 1007 1013 1 1023 1008 1010 1 1024 1008 1014 1 1025 1008 1015 1 1026 1009 1016 1 1027 1009 1017 1 1028 1009 1018 1 1029 1010 1019 1 1030 1010 1020 1 1031 1010 1021 1 1032 1022 1023 1 1033 1022 1033 1 1034 1023 1026 1 1035 1023 1024 1 1036 1023 1034 1 1037 1024 1025 2 1038 1024 1046 am 1039 1026 1027 1 1040 1026 1035 1 1041 1026 1036 1 1042 1027 1028 1 1043 1027 1037 1 1044 1027 1038 1 1045 1028 1029 1 1046 1028 1039 1 1047 1028 1040 1 1048 1029 1030 ar 1049 1029 1041 1 1050 1030 1031 ar 1051 1030 1032 ar 1052 1031 1042 1 1053 1031 1043 1 1054 1032 1044 1 1055 1032 1045 1 1056 1046 1047 1 1057 1046 1055 1 1058 1047 1050 1 1059 1047 1048 1 1060 1047 1056 1 1061 1048 1049 2 1062 1048 1068 am 1063 1050 1051 1 1064 1050 1057 1 1065 1050 1058 1 1066 1051 1052 1 1067 1051 1059 1 1068 1051 1060 1 1069 1052 1053 1 1070 1052 1061 1 1071 1052 1062 1 1072 1053 1054 1 1073 1053 1063 1 1074 1053 1064 1 1075 1054 1065 1 1076 1054 1066 1 1077 1054 1067 1 1078 1068 1069 1 1079 1068 1076 1 1080 1069 1072 1 1081 1069 1070 1 1082 1069 1077 1 1083 1070 1071 2 1084 1070 1087 am 1085 1072 1073 1 1086 1072 1078 1 1087 1072 1079 1 1088 1073 1074 1 1089 1073 1075 1 1090 1073 1080 1 1091 1074 1081 1 1092 1074 1082 1 1093 1074 1083 1 1094 1075 1084 1 1095 1075 1085 1 1096 1075 1086 1 1097 1087 1088 1 1098 1087 1095 1 1099 1088 1091 1 1100 1088 1089 1 1101 1088 1096 1 1102 1089 1090 2 1103 1089 1099 am 1104 1091 1092 1 1105 1091 1097 1 1106 1091 1098 1 1107 1092 1093 ar 1108 1092 1094 ar 1109 1099 1100 1 1110 1099 1105 1 1111 1100 1103 1 1112 1100 1101 1 1113 1100 1106 1 1114 1101 1102 2 1115 1101 1110 am 1116 1103 1104 1 1117 1103 1107 1 1118 1103 1108 1 1119 1104 1109 1 1120 1110 1111 1 1121 1110 1114 1 1122 1111 1112 1 1123 1111 1115 1 1124 1111 1116 1 1125 1112 1113 2 1126 1112 1117 am 1127 1117 1118 1 1128 1117 1121 1 1129 1118 1119 1 1130 1118 1122 1 1131 1118 1123 1 1132 1119 1120 2 1133 1119 1124 am 1134 1124 1125 1 1135 1124 1135 1 1136 1125 1128 1 1137 1125 1126 1 1138 1125 1136 1 1139 1126 1127 2 1140 1126 1144 am 1141 1128 1129 1 1142 1128 1137 1 1143 1128 1138 1 1144 1129 1130 ar 1145 1129 1131 ar 1146 1130 1132 ar 1147 1130 1139 1 1148 1131 1133 ar 1149 1131 1140 1 1150 1132 1134 ar 1151 1132 1141 1 1152 1133 1134 ar 1153 1133 1142 1 1154 1134 1143 1 1155 1144 1145 1 1156 1144 1156 1 1157 1145 1148 1 1158 1145 1146 1 1159 1145 1157 1 1160 1146 1147 2 1161 1146 1165 am 1162 1148 1149 1 1163 1148 1158 1 1164 1148 1159 1 1165 1149 1150 ar 1166 1149 1151 ar 1167 1150 1152 ar 1168 1150 1160 1 1169 1151 1153 ar 1170 1151 1161 1 1171 1152 1154 ar 1172 1152 1162 1 1173 1153 1154 ar 1174 1153 1163 1 1175 1154 1155 1 1176 1155 1164 1 1177 1165 1166 1 1178 1165 1173 1 1179 1166 1169 1 1180 1166 1167 1 1181 1166 1174 1 1182 1167 1168 2 1183 1167 1184 am 1184 1169 1171 1 1185 1169 1170 1 1186 1169 1175 1 1187 1170 1172 1 1188 1170 1176 1 1189 1170 1177 1 1190 1171 1178 1 1191 1171 1179 1 1192 1171 1180 1 1193 1172 1181 1 1194 1172 1182 1 1195 1172 1183 1 1196 1184 1185 1 1197 1184 1191 1 1198 1185 1188 1 1199 1185 1186 1 1200 1185 1192 1 1201 1186 1187 2 1202 1186 1198 am 1203 1188 1190 1 1204 1188 1189 1 1205 1188 1193 1 1206 1189 1194 1 1207 1190 1195 1 1208 1190 1196 1 1209 1190 1197 1 1210 1198 1199 1 1211 1198 1204 1 1212 1199 1202 1 1213 1199 1200 1 1214 1199 1205 1 1215 1200 1201 2 1216 1200 1209 am 1217 1202 1203 1 1218 1202 1206 1 1219 1202 1207 1 1220 1203 1208 1 1221 1209 1210 1 1222 1209 1220 1 1223 1210 1213 1 1224 1210 1211 1 1225 1210 1221 1 1226 1211 1212 2 1227 1211 1233 am 1228 1213 1214 1 1229 1213 1222 1 1230 1213 1223 1 1231 1214 1215 1 1232 1214 1224 1 1233 1214 1225 1 1234 1215 1216 1 1235 1215 1226 1 1236 1215 1227 1 1237 1216 1217 ar 1238 1216 1228 1 1239 1217 1218 ar 1240 1217 1219 ar 1241 1218 1229 1 1242 1218 1230 1 1243 1219 1231 1 1244 1219 1232 1 1245 1233 1234 1 1246 1233 1240 1 1247 1234 1237 1 1248 1234 1235 1 1249 1234 1241 1 1250 1235 1236 2 1251 1235 1247 am 1252 1237 1239 1 1253 1237 1238 1 1254 1237 1242 1 1255 1238 1243 1 1256 1239 1244 1 1257 1239 1245 1 1258 1239 1246 1 1259 1247 1248 1 1260 1247 1256 1 1261 1248 1251 1 1262 1248 1249 1 1263 1248 1257 1 1264 1249 1250 2 1265 1249 1264 am 1266 1251 1252 1 1267 1251 1258 1 1268 1251 1259 1 1269 1252 1253 1 1270 1252 1260 1 1271 1252 1261 1 1272 1253 1254 2 1273 1253 1255 am 1274 1255 1262 1 1275 1255 1263 1 1276 1264 1265 1 1277 1264 1275 1 1278 1265 1268 1 1279 1265 1266 1 1280 1265 1276 1 1281 1266 1267 2 1282 1266 1284 am 1283 1268 1269 1 1284 1268 1277 1 1285 1268 1278 1 1286 1269 1270 ar 1287 1269 1271 ar 1288 1270 1272 ar 1289 1270 1279 1 1290 1271 1273 ar 1291 1271 1280 1 1292 1272 1274 ar 1293 1272 1281 1 1294 1273 1274 ar 1295 1273 1282 1 1296 1274 1283 1 1297 1284 1285 1 1298 1284 1292 1 1299 1285 1288 1 1300 1285 1286 1 1301 1285 1293 1 1302 1286 1287 2 1303 1286 1298 am 1304 1288 1289 1 1305 1288 1294 1 1306 1288 1295 1 1307 1289 1290 2 1308 1289 1291 am 1309 1291 1296 1 1310 1291 1297 1 1311 1298 1299 1 1312 1298 1304 1 1313 1299 1302 1 1314 1299 1300 1 1315 1299 1305 1 1316 1300 1301 2 1317 1300 1309 am 1318 1302 1303 1 1319 1302 1306 1 1320 1302 1307 1 1321 1303 1308 1 1322 1309 1310 1 1323 1309 1317 1 1324 1310 1313 1 1325 1310 1311 1 1326 1310 1318 1 1327 1311 1312 2 1328 1311 1328 am 1329 1313 1314 1 1330 1313 1319 1 1331 1313 1320 1 1332 1314 1315 1 1333 1314 1316 1 1334 1314 1321 1 1335 1315 1322 1 1336 1315 1323 1 1337 1315 1324 1 1338 1316 1325 1 1339 1316 1326 1 1340 1316 1327 1 1341 1328 1329 1 1342 1328 1337 1 1343 1329 1332 1 1344 1329 1330 1 1345 1329 1338 1 1346 1330 1331 2 1347 1330 1345 am 1348 1332 1333 1 1349 1332 1339 1 1350 1332 1340 1 1351 1333 1334 1 1352 1333 1341 1 1353 1333 1342 1 1354 1334 1335 2 1355 1334 1336 am 1356 1336 1343 1 1357 1336 1344 1 1358 1345 1346 1 1359 1345 1354 1 1360 1346 1349 1 1361 1346 1347 1 1362 1346 1355 1 1363 1347 1348 2 1364 1347 1362 am 1365 1349 1350 1 1366 1349 1356 1 1367 1349 1357 1 1368 1350 1351 1 1369 1350 1358 1 1370 1350 1359 1 1371 1351 1352 2 1372 1351 1353 am 1373 1353 1360 1 1374 1353 1361 1 1375 1362 1363 1 1376 1362 1370 1 1377 1363 1366 1 1378 1363 1364 1 1379 1363 1371 1 1380 1364 1365 2 1381 1364 1381 am 1382 1366 1367 1 1383 1366 1372 1 1384 1366 1373 1 1385 1367 1368 1 1386 1367 1369 1 1387 1367 1374 1 1388 1368 1375 1 1389 1368 1376 1 1390 1368 1377 1 1391 1369 1378 1 1392 1369 1379 1 1393 1369 1380 1 1394 1381 1382 1 1395 1381 1388 1 1396 1382 1385 1 1397 1382 1383 1 1398 1382 1389 1 1399 1383 1384 2 1400 1383 1397 am 1401 1385 1386 1 1402 1385 1387 1 1403 1385 1390 1 1404 1386 1391 1 1405 1386 1392 1 1406 1386 1393 1 1407 1387 1394 1 1408 1387 1395 1 1409 1387 1396 1 1410 1397 1398 1 1411 1397 1402 1 1412 1398 1401 1 1413 1398 1399 1 1414 1398 1403 1 1415 1399 1400 2 1416 1399 1407 am 1417 1401 1404 1 1418 1401 1405 1 1419 1401 1406 1 1420 1407 1408 1 1421 1407 1419 1 1422 1408 1411 1 1423 1408 1409 1 1424 1408 1420 1 1425 1409 1410 2 1426 1409 1428 am 1427 1411 1412 1 1428 1411 1421 1 1429 1411 1422 1 1430 1412 1413 ar 1431 1412 1414 ar 1432 1413 1415 ar 1433 1413 1423 1 1434 1414 1416 ar 1435 1414 1424 1 1436 1415 1417 ar 1437 1415 1425 1 1438 1416 1417 ar 1439 1416 1426 1 1440 1417 1418 1 1441 1418 1427 1 1442 1428 1429 1 1443 1428 1440 1 1444 1429 1432 1 1445 1429 1430 1 1446 1429 1441 1 1447 1430 1431 2 1448 1430 1449 am 1449 1432 1433 1 1450 1432 1442 1 1451 1432 1443 1 1452 1433 1434 ar 1453 1433 1435 ar 1454 1434 1436 ar 1455 1434 1444 1 1456 1435 1437 ar 1457 1435 1445 1 1458 1436 1438 ar 1459 1436 1446 1 1460 1437 1438 ar 1461 1437 1447 1 1462 1438 1439 1 1463 1439 1448 1 1464 1449 1450 1 1465 1449 1455 1 1466 1450 1453 1 1467 1450 1451 1 1468 1450 1456 1 1469 1451 1452 2 1470 1451 1460 am 1471 1453 1454 1 1472 1453 1457 1 1473 1453 1458 1 1474 1454 1459 1 1475 1460 1461 1 1476 1460 1469 1 1477 1461 1464 1 1478 1461 1462 1 1479 1461 1470 1 1480 1462 1463 2 1481 1462 1482 am 1482 1464 1465 1 1483 1464 1471 1 1484 1464 1472 1 1485 1465 1466 1 1486 1465 1473 1 1487 1465 1474 1 1488 1466 1467 1 1489 1466 1475 1 1490 1466 1476 1 1491 1467 1468 1 1492 1467 1477 1 1493 1467 1478 1 1494 1468 1479 1 1495 1468 1480 1 1496 1468 1481 1 1497 1482 1483 1 1498 1482 1492 1 1499 1483 1486 1 1500 1483 1484 1 1501 1483 1493 1 1502 1484 1485 2 1503 1484 1499 am 1504 1486 1487 1 1505 1486 1494 1 1506 1486 1495 1 1507 1487 1488 ar 1508 1487 1489 ar 1509 1488 1490 ar 1510 1489 1491 ar 1511 1489 1496 1 1512 1490 1491 ar 1513 1490 1497 1 1514 1491 1498 1 1515 1499 1500 1 1516 1499 1504 1 1517 1500 1503 1 1518 1500 1501 1 1519 1500 1505 1 1520 1501 1502 2 1521 1501 1509 am 1522 1503 1506 1 1523 1503 1507 1 1524 1503 1508 1 1525 1509 1510 1 1526 1509 1517 1 1527 1510 1513 1 1528 1510 1511 1 1529 1510 1518 1 1530 1511 1512 2 1531 1511 1521 am 1532 1513 1514 1 1533 1513 1519 1 1534 1513 1520 1 1535 1514 1515 ar 1536 1514 1516 ar 1537 1521 1522 1 1538 1521 1525 1 1539 1522 1523 1 1540 1522 1526 1 1541 1522 1527 1 1542 1523 1524 2 1543 1523 1528 am 1544 1528 1529 1 1545 1528 1536 1 1546 1529 1532 1 1547 1529 1530 1 1548 1529 1537 1 1549 1530 1531 2 1550 1530 1547 am 1551 1532 1533 1 1552 1532 1538 1 1553 1532 1539 1 1554 1533 1534 1 1555 1533 1535 1 1556 1533 1540 1 1557 1534 1541 1 1558 1534 1542 1 1559 1534 1543 1 1560 1535 1544 1 1561 1535 1545 1 1562 1535 1546 1 1563 1547 1548 1 1564 1547 1553 1 1565 1548 1551 1 1566 1548 1549 1 1567 1548 1554 1 1568 1549 1550 2 1569 1549 1558 am 1570 1551 1552 1 1571 1551 1555 1 1572 1551 1556 1 1573 1552 1557 1 1574 1558 1559 1 1575 1558 1568 1 1576 1559 1562 1 1577 1559 1560 1 1578 1559 1569 1 1579 1560 1561 2 1580 1560 1575 am 1581 1562 1563 1 1582 1562 1570 1 1583 1562 1571 1 1584 1563 1564 ar 1585 1563 1565 ar 1586 1564 1566 ar 1587 1565 1567 ar 1588 1565 1572 1 1589 1566 1567 ar 1590 1566 1573 1 1591 1567 1574 1 1592 1575 1576 1 1593 1575 1586 1 1594 1576 1579 1 1595 1576 1577 1 1596 1576 1587 1 1597 1577 1578 2 1598 1577 1599 am 1599 1579 1580 1 1600 1579 1588 1 1601 1579 1589 1 1602 1580 1581 1 1603 1580 1590 1 1604 1580 1591 1 1605 1581 1582 1 1606 1581 1592 1 1607 1581 1593 1 1608 1582 1583 ar 1609 1582 1594 1 1610 1583 1584 ar 1611 1583 1585 ar 1612 1584 1595 1 1613 1584 1596 1 1614 1585 1597 1 1615 1585 1598 1 1616 1599 1600 1 1617 1599 1607 1 1618 1600 1603 1 1619 1600 1601 1 1620 1600 1608 1 1621 1601 1602 2 1622 1601 1618 am 1623 1603 1604 1 1624 1603 1609 1 1625 1603 1610 1 1626 1604 1605 1 1627 1604 1606 1 1628 1604 1611 1 1629 1605 1612 1 1630 1605 1613 1 1631 1605 1614 1 1632 1606 1615 1 1633 1606 1616 1 1634 1606 1617 1 1635 1618 1619 1 1636 1618 1625 1 1637 1619 1622 1 1638 1619 1620 1 1639 1619 1626 1 1640 1620 1621 2 1641 1620 1632 am 1642 1622 1624 1 1643 1622 1623 1 1644 1622 1627 1 1645 1623 1628 1 1646 1624 1629 1 1647 1624 1630 1 1648 1624 1631 1 1649 1632 1633 1 1650 1632 1639 1 1651 1633 1636 1 1652 1633 1634 1 1653 1633 1640 1 1654 1634 1635 2 1655 1634 1646 am 1656 1636 1638 1 1657 1636 1637 1 1658 1636 1641 1 1659 1637 1642 1 1660 1638 1643 1 1661 1638 1644 1 1662 1638 1645 1 1663 1646 1647 1 1664 1646 1653 1 1665 1647 1650 1 1666 1647 1648 1 1667 1647 1654 1 1668 1648 1649 2 1669 1648 1662 am 1670 1650 1651 1 1671 1650 1652 1 1672 1650 1655 1 1673 1651 1656 1 1674 1651 1657 1 1675 1651 1658 1 1676 1652 1659 1 1677 1652 1660 1 1678 1652 1661 1 1679 1662 1663 1 1680 1662 1668 1 1681 1663 1666 1 1682 1663 1664 1 1683 1663 1669 1 1684 1664 1665 2 1685 1664 1673 am 1686 1666 1667 1 1687 1666 1670 1 1688 1666 1671 1 1689 1667 1672 1 1690 1673 1679 1 1691 1673 1674 1 1692 1674 1677 1 1693 1674 1675 1 1694 1674 1680 1 1695 1675 1676 2 1696 1675 1687 am 1697 1677 1678 1 1698 1677 1681 1 1699 1677 1682 1 1700 1678 1679 1 1701 1678 1683 1 1702 1678 1684 1 1703 1679 1685 1 1704 1679 1686 1 1705 1687 1688 1 1706 1687 1694 1 1707 1688 1691 1 1708 1688 1689 1 1709 1688 1695 1 1710 1689 1690 2 1711 1689 1696 1 1712 1691 1693 1 1713 1691 1692 1 1714 1691 1697 1 1715 1692 1698 1 1716 1693 1699 1 1717 1693 1700 1 1718 1693 1701 1 @SUBSTRUCTURE 1 SER1 2 RESIDUE 1 A SER 1 ROOT 2 ILE2 15 RESIDUE 1 A ILE 2 3 GLN3 34 RESIDUE 1 A GLN 2 4 ALA4 51 RESIDUE 1 A ALA 2 5 GLU5 61 RESIDUE 1 A GLU 2 6 GLU6 76 RESIDUE 1 A GLU 2 7 TRP7 91 RESIDUE 1 A TRP 2 8 TYR8 115 RESIDUE 1 A TYR 2 9 PHE9 136 RESIDUE 1 A PHE 2 10 GLY10 156 RESIDUE 1 A GLY 2 11 LYS11 163 RESIDUE 1 A LYS 2 12 ILE12 185 RESIDUE 1 A ILE 2 13 THR13 204 RESIDUE 1 A THR 2 14 ARG14 218 RESIDUE 1 A ARG 2 15 ARG15 242 RESIDUE 1 A ARG 2 16 GLU16 266 RESIDUE 1 A GLU 2 17 SER17 281 RESIDUE 1 A SER 2 18 GLU18 292 RESIDUE 1 A GLU 2 19 ARG19 307 RESIDUE 1 A ARG 2 20 LEU20 331 RESIDUE 1 A LEU 2 21 LEU21 350 RESIDUE 1 A LEU 2 22 LEU22 369 RESIDUE 1 A LEU 2 23 ASN23 388 RESIDUE 1 A ASN 2 24 ALA24 402 RESIDUE 1 A ALA 2 25 GLU25 412 RESIDUE 1 A GLU 2 26 ASN26 427 RESIDUE 1 A ASN 2 27 PRO27 441 RESIDUE 1 A PRO 2 28 ARG28 455 RESIDUE 1 A ARG 2 29 GLY29 479 RESIDUE 1 A GLY 2 30 THR30 486 RESIDUE 1 A THR 2 31 PHE31 500 RESIDUE 1 A PHE 2 32 LEU32 520 RESIDUE 1 A LEU 2 33 VAL33 539 RESIDUE 1 A VAL 2 34 ARG34 555 RESIDUE 1 A ARG 2 35 GLU35 579 RESIDUE 1 A GLU 2 36 SER36 594 RESIDUE 1 A SER 2 37 GLU37 605 RESIDUE 1 A GLU 2 38 THR38 620 RESIDUE 1 A THR 2 39 THR39 634 RESIDUE 1 A THR 2 40 LYS40 648 RESIDUE 1 A LYS 2 41 GLY41 670 RESIDUE 1 A GLY 2 42 ALA42 677 RESIDUE 1 A ALA 2 43 TYR43 687 RESIDUE 1 A TYR 2 44 CYS44 708 RESIDUE 1 A CYS 2 45 LEU45 719 RESIDUE 1 A LEU 2 46 SER46 738 RESIDUE 1 A SER 2 47 VAL47 749 RESIDUE 1 A VAL 2 48 SER48 765 RESIDUE 1 A SER 2 49 ASP49 776 RESIDUE 1 A ASP 2 50 PHE50 788 RESIDUE 1 A PHE 2 51 ASP51 808 RESIDUE 1 A ASP 2 52 ASN52 820 RESIDUE 1 A ASN 2 53 ALA53 834 RESIDUE 1 A ALA 2 54 LYS54 844 RESIDUE 1 A LYS 2 55 GLY55 866 RESIDUE 1 A GLY 2 56 LEU56 873 RESIDUE 1 A LEU 2 57 ASN57 892 RESIDUE 1 A ASN 2 58 VAL58 906 RESIDUE 1 A VAL 2 59 LYS59 922 RESIDUE 1 A LYS 2 60 HIS60 944 RESIDUE 1 A HIS 2 61 TYR61 961 RESIDUE 1 A TYR 2 62 LYS62 982 RESIDUE 1 A LYS 2 63 ILE63 1004 RESIDUE 1 A ILE 2 64 ARG64 1023 RESIDUE 1 A ARG 2 65 LYS65 1047 RESIDUE 1 A LYS 2 66 LEU66 1069 RESIDUE 1 A LEU 2 67 ASP67 1088 RESIDUE 1 A ASP 2 68 SER68 1100 RESIDUE 1 A SER 2 69 GLY69 1111 RESIDUE 1 A GLY 2 70 GLY70 1118 RESIDUE 1 A GLY 2 71 PHE71 1125 RESIDUE 1 A PHE 2 72 TYR72 1145 RESIDUE 1 A TYR 2 73 ILE73 1166 RESIDUE 1 A ILE 2 74 THR74 1185 RESIDUE 1 A THR 2 75 SER75 1199 RESIDUE 1 A SER 2 76 ARG76 1210 RESIDUE 1 A ARG 2 77 THR77 1234 RESIDUE 1 A THR 2 78 GLN78 1248 RESIDUE 1 A GLN 2 79 PHE79 1265 RESIDUE 1 A PHE 2 80 ASN80 1285 RESIDUE 1 A ASN 2 81 SER81 1299 RESIDUE 1 A SER 2 82 LEU82 1310 RESIDUE 1 A LEU 2 83 GLN83 1329 RESIDUE 1 A GLN 2 84 GLN84 1346 RESIDUE 1 A GLN 2 85 LEU85 1363 RESIDUE 1 A LEU 2 86 VAL86 1382 RESIDUE 1 A VAL 2 87 ALA87 1398 RESIDUE 1 A ALA 2 88 TYR88 1408 RESIDUE 1 A TYR 2 89 TYR89 1429 RESIDUE 1 A TYR 2 90 SER90 1450 RESIDUE 1 A SER 2 91 LYS91 1461 RESIDUE 1 A LYS 2 92 HIS92 1483 RESIDUE 1 A HIS 2 93 ALA93 1500 RESIDUE 1 A ALA 2 94 ASP94 1510 RESIDUE 1 A ASP 2 95 GLY95 1522 RESIDUE 1 A GLY 2 96 LEU96 1529 RESIDUE 1 A LEU 2 97 CYS97 1548 RESIDUE 1 A CYS 2 98 HIS98 1559 RESIDUE 1 A HIS 2 99 ARG99 1576 RESIDUE 1 A ARG 2 100 LEU100 1600 RESIDUE 1 A LEU 2 101 THR101 1619 RESIDUE 1 A THR 2 102 THR102 1633 RESIDUE 1 A THR 2 103 VAL103 1647 RESIDUE 1 A VAL 2 104 CYS104 1663 RESIDUE 1 A CYS 2 105 PRO105 1674 RESIDUE 1 A PRO 2 106 THR106 1688 RESIDUE 1 A THR 1