# Name: 5FDG_min # Creating user name: Agnese Pozzi # Creation time: Fri Apr 10 10:53:03 2026 # Modifying user name: Agnese Pozzi # Modification time: Fri Apr 10 10:53:03 2026 @MOLECULE 5FDG_min 2972 2998 185 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.5 @ATOM 1 N 35.7670 40.3480 20.1000 N.4 1 GLY1 -0.0668 2 CA 34.8670 39.6980 19.1650 C.3 1 GLY1 0.1828 3 C 33.8600 40.6710 18.5850 C.2 1 GLY1 0.2310 4 O 33.1520 41.3540 19.3230 O.2 1 GLY1 -0.2774 5 H1 36.3945 39.6459 20.5429 H 1 GLY1 0.2747 6 H2 35.2036 40.8234 20.8372 H 1 GLY1 0.2747 7 H3 36.3348 41.0651 19.6036 H 1 GLY1 0.2747 8 HA1 34.3093 38.9254 19.6976 H 1 GLY1 0.0654 9 HA2 35.4699 39.1996 18.4086 H 1 GLY1 0.0654 10 N 33.7920 40.7500 17.2520 N.am 2 PRO2 -0.2314 11 CA 32.8540 41.6810 16.6210 C.3 2 PRO2 0.0907 12 C 31.4090 41.2220 16.7700 C.2 2 PRO2 0.2189 13 O 31.1230 40.0340 16.7120 O.2 2 PRO2 -0.2778 14 CB 33.2905 41.6738 15.1517 C.3 2 PRO2 -0.0276 15 CG 33.9265 40.3026 14.9437 C.3 2 PRO2 -0.0379 16 CD 34.5621 39.9564 16.2914 C.3 2 PRO2 0.0071 17 HA 32.9748 42.6701 17.0671 H 2 PRO2 0.0559 18 HB1 34.0470 42.4442 14.9987 H 2 PRO2 0.0285 19 HB2 32.4798 41.8746 14.4491 H 2 PRO2 0.0285 20 HG1 34.6423 40.2886 14.1214 H 2 PRO2 0.0278 21 HG2 33.1447 39.5768 14.7137 H 2 PRO2 0.0278 22 HD1 34.4613 38.8930 16.5162 H 2 PRO2 0.0431 23 HD2 35.6034 40.2772 16.3439 H 2 PRO2 0.0431 24 N 30.5090 42.1750 16.9700 N.am 3 LEU3 -0.2456 25 CA 29.0900 41.8780 17.0890 C.3 3 LEU3 0.0880 26 C 28.4210 42.3020 15.7910 C.2 3 LEU3 0.2185 27 O 28.4800 43.4650 15.4230 O.2 3 LEU3 -0.2778 28 CB 28.4798 42.6279 18.2883 C.3 3 LEU3 -0.0266 29 CG 28.6105 41.8825 19.6310 C.3 3 LEU3 -0.0449 30 CD1 30.0676 41.6249 20.0359 C.3 3 LEU3 -0.0626 31 CD2 27.8747 42.6459 20.7396 C.3 3 LEU3 -0.0626 32 H 30.8200 43.1430 17.0420 H 3 LEU3 0.1312 33 HA 28.9388 40.8040 17.2157 H 3 LEU3 0.0557 34 HB1 27.4133 42.7818 18.1115 H 3 LEU3 0.0287 35 HB2 28.9128 43.6263 18.3624 H 3 LEU3 0.0287 36 HG 28.1197 40.9131 19.5265 H 3 LEU3 0.0296 37 HD11 30.1239 41.1992 21.0379 H 3 LEU3 0.0232 38 HD12 30.6498 42.5465 20.0303 H 3 LEU3 0.0232 39 HD13 30.5435 40.9132 19.3635 H 3 LEU3 0.0232 40 HD21 27.9134 42.1022 21.6840 H 3 LEU3 0.0232 41 HD22 26.8238 42.7891 20.4867 H 3 LEU3 0.0232 42 HD23 28.3163 43.6296 20.9012 H 3 LEU3 0.0232 43 N 27.8000 41.3620 15.0880 N.am 4 GLY4 -0.2485 44 CA 27.1870 41.6710 13.8080 C.3 4 GLY4 0.0765 45 C 25.8220 42.3060 13.9880 C.2 4 GLY4 0.2156 46 O 25.3450 42.4660 15.1120 O.2 4 GLY4 -0.2781 47 H 27.7530 40.4100 15.4520 H 4 GLY4 0.1309 48 HA1 27.0818 40.7299 13.2697 H 4 GLY4 0.0521 49 HA2 27.8439 42.3321 13.2396 H 4 GLY4 0.0521 50 N 25.1940 42.6640 12.8770 N.am 5 SER5 -0.2439 51 CA 23.8230 43.1560 12.8870 C.3 5 SER5 0.1109 52 C 22.8810 41.9840 12.6780 C.2 5 SER5 0.2209 53 O 23.1210 41.1600 11.8110 O.2 5 SER5 -0.2777 54 CB 23.5934 44.2524 11.8410 C.3 5 SER5 0.0681 55 OG 22.2809 44.7839 11.9983 O.3 5 SER5 -0.3930 56 H 25.6870 42.5930 11.9870 H 5 SER5 0.1312 57 HA 23.6222 43.5886 13.8686 H 5 SER5 0.0580 58 HB1 23.7233 43.8526 10.8362 H 5 SER5 0.0577 59 HB2 24.3397 45.0427 11.9751 H 5 SER5 0.0577 60 HG 22.1149 45.4574 11.3397 H 5 SER5 0.2095 61 N 21.8030 41.9140 13.4520 N.am 6 MET6 -0.2456 62 CA 20.8250 40.8480 13.2560 C.3 6 MET6 0.0886 63 C 20.1250 40.9660 11.8990 C.2 6 MET6 0.2187 64 O 19.8560 39.9600 11.2440 O.2 6 MET6 -0.2778 65 CB 19.7993 40.9084 14.4019 C.3 6 MET6 -0.0199 66 CG 18.7146 39.8208 14.3440 C.3 6 MET6 -0.0047 67 SD 19.4273 38.1642 14.3764 S.3 6 MET6 -0.1641 68 CE 19.3680 37.8611 16.1482 C.3 6 MET6 -0.0181 69 H 21.6580 42.6080 14.1860 H 6 MET6 0.1312 70 HA 21.3662 39.9023 13.2841 H 6 MET6 0.0557 71 HB1 19.3240 41.8881 14.4036 H 6 MET6 0.0293 72 HB2 20.3236 40.8311 15.3541 H 6 MET6 0.0293 73 HG1 18.1081 39.9210 13.4429 H 6 MET6 0.0377 74 HG2 18.0153 39.9322 15.1735 H 6 MET6 0.0377 75 HE1 19.8503 36.9131 16.3866 H 6 MET6 0.0340 76 HE2 18.3329 37.8387 16.4862 H 6 MET6 0.0340 77 HE3 19.8765 38.6617 16.6859 H 6 MET6 0.0340 78 N 19.8360 42.1940 11.4710 N.am 7 GLU7 -0.2456 79 CA 19.1830 42.4040 10.1800 C.3 7 GLU7 0.0883 80 C 20.0550 41.8780 9.0410 C.2 7 GLU7 0.2187 81 O 19.5730 41.2030 8.1230 O.2 7 GLU7 -0.2778 82 CB 18.9692 43.9307 10.0656 C.3 7 GLU7 -0.0193 83 CG 18.5602 44.4915 8.6893 C.3 7 GLU7 0.0356 84 CD 17.0920 44.2454 8.3168 C.2 7 GLU7 0.1760 85 OE1 16.6122 43.1252 8.4189 O.co2 7 GLU7 -0.6478 86 OE2 16.4147 45.1749 7.8964 O.co2 7 GLU7 -0.6478 87 H 20.0730 42.9980 12.0520 H 7 GLU7 0.1312 88 HA 18.2301 41.8715 10.1774 H 7 GLU7 0.0557 89 HB1 19.9051 44.4187 10.3361 H 7 GLU7 0.0290 90 HB2 18.2479 44.2520 10.8180 H 7 GLU7 0.0290 91 HG1 19.1864 44.0967 7.8909 H 7 GLU7 0.0374 92 HG2 18.7208 45.5696 8.6894 H 7 GLU7 0.0374 93 N 21.3450 42.1840 9.1220 N.am 8 ASP8 -0.2451 94 CA 22.3470 41.6380 8.2140 C.3 8 ASP8 0.0974 95 C 22.3110 40.1130 8.1910 C.2 8 ASP8 0.2192 96 O 22.2620 39.4980 7.1230 O.2 8 ASP8 -0.2778 97 CB 23.7823 41.9763 8.6776 C.3 8 ASP8 0.0576 98 CG 24.3679 43.2043 8.0029 C.2 8 ASP8 0.1780 99 OD1 24.3799 43.2342 6.7767 O.co2 8 ASP8 -0.6478 100 OD2 24.8163 44.1024 8.7082 O.co2 8 ASP8 -0.6478 101 H 21.6480 42.8290 9.8520 H 8 ASP8 0.1312 102 HA 22.1324 42.0089 7.2101 H 8 ASP8 0.0563 103 HB1 24.4969 41.1872 8.4434 H 8 ASP8 0.0394 104 HB2 23.8283 42.0857 9.7541 H 8 ASP8 0.0394 105 N 22.3510 39.5050 9.3750 N.am 9 PHE9 -0.2453 106 CA 22.3230 38.0500 9.4650 C.3 9 PHE9 0.0917 107 C 21.0960 37.5030 8.7590 C.2 9 PHE9 0.2190 108 O 21.2070 36.6100 7.9300 O.2 9 PHE9 -0.2778 109 CB 22.3343 37.6795 10.9650 C.3 9 PHE9 -0.0036 110 CG 21.7661 36.3128 11.2460 C.ar 9 PHE9 -0.0454 111 CD1 22.4977 35.1755 10.9431 C.ar 9 PHE9 -0.0585 112 CD2 20.4532 36.1718 11.6831 C.ar 9 PHE9 -0.0585 113 CE1 21.9189 33.9179 11.0342 C.ar 9 PHE9 -0.0615 114 CE2 19.8649 34.9184 11.7617 C.ar 9 PHE9 -0.0615 115 CZ 20.5970 33.7885 11.4300 C.ar 9 PHE9 -0.0617 116 H 22.4020 40.0630 10.2270 H 9 PHE9 0.1312 117 HA 23.2066 37.6623 8.9572 H 9 PHE9 0.0560 118 HB1 21.7618 38.4094 11.5353 H 9 PHE9 0.0333 119 HB2 23.3524 37.7378 11.3439 H 9 PHE9 0.0333 120 HD1 23.5051 35.2795 10.5754 H 9 PHE9 0.0620 121 HD2 19.8638 37.0495 11.8968 H 9 PHE9 0.0620 122 HE1 22.4877 33.0473 10.7476 H 9 PHE9 0.0618 123 HE2 18.8298 34.8294 12.0552 H 9 PHE9 0.0618 124 HZ 20.1391 32.8127 11.4595 H 9 PHE9 0.0618 125 N 19.9340 38.0620 9.0820 N.am 10 VAL10 -0.2454 126 CA 18.6730 37.5760 8.5360 C.3 10 VAL10 0.0901 127 C 18.6790 37.6340 7.0190 C.2 10 VAL10 0.2189 128 O 18.3730 36.6460 6.3460 O.2 10 VAL10 -0.2778 129 CB 17.4745 38.3484 9.1409 C.3 10 VAL10 -0.0227 130 CG1 16.1501 38.0585 8.4113 C.3 10 VAL10 -0.0608 131 CG2 17.2936 38.0307 10.6333 C.3 10 VAL10 -0.0608 132 H 19.9250 38.8510 9.7280 H 10 VAL10 0.1312 133 HA 18.6159 36.5283 8.8270 H 10 VAL10 0.0560 134 HB 17.6737 39.4180 9.0480 H 10 VAL10 0.0315 135 HG11 15.3134 38.5313 8.9236 H 10 VAL10 0.0233 136 HG12 15.9460 36.9890 8.3738 H 10 VAL10 0.0233 137 HG13 16.1559 38.4377 7.3890 H 10 VAL10 0.0233 138 HG21 16.4574 38.5918 11.0526 H 10 VAL10 0.0233 139 HG22 18.1734 38.2883 11.2152 H 10 VAL10 0.0233 140 HG23 17.0934 36.9702 10.7881 H 10 VAL10 0.0233 141 N 19.0630 38.7840 6.4760 N.am 11 ARG11 -0.2456 142 CA 19.0660 38.9340 5.0240 C.3 11 ARG11 0.0879 143 C 20.1030 38.0320 4.3440 C.2 11 ARG11 0.2187 144 O 19.8970 37.5720 3.2210 O.2 11 ARG11 -0.2778 145 CB 19.0034 40.4181 4.6273 C.3 11 ARG11 -0.0258 146 CG 17.7540 41.0805 5.2589 C.3 11 ARG11 -0.0154 147 CD 17.3107 42.4085 4.6297 C.3 11 ARG11 0.1045 148 NE 16.3576 43.0454 5.5330 N.pl3 11 ARG11 -0.4450 149 CZ 15.0981 43.4277 5.3673 C.cat 11 ARG11 0.5062 150 NH1 14.4232 43.2665 4.2640 N.pl3 11 ARG11 -0.4573 151 NH2 14.5000 43.9993 6.3600 N.pl3 11 ARG11 -0.4573 152 H 19.3540 39.5590 7.0710 H 11 ARG11 0.1312 153 HA 18.1135 38.5122 4.6954 H 11 ARG11 0.0557 154 HB1 18.9513 40.4966 3.5411 H 11 ARG11 0.0286 155 HB2 19.9089 40.9388 4.9421 H 11 ARG11 0.0286 156 HG1 17.9385 41.2431 6.3207 H 11 ARG11 0.0299 157 HG2 16.9070 40.3953 5.2166 H 11 ARG11 0.0299 158 HD1 16.8654 42.2727 3.6436 H 11 ARG11 0.0711 159 HD2 18.1555 43.0953 4.5417 H 11 ARG11 0.0711 160 HE 16.6410 43.2636 6.4747 H 11 ARG11 0.3153 161 HH11 13.4813 43.6225 4.2529 H 11 ARG11 0.3114 162 HH12 14.8243 42.8179 3.4772 H 11 ARG11 0.3114 163 HH21 13.5437 44.2798 6.2817 H 11 ARG11 0.3114 164 HH22 15.0410 44.1582 7.2021 H 11 ARG11 0.3114 165 N 21.1940 37.7380 5.0430 N.am 12 GLN12 -0.2456 166 CA 22.2190 36.8630 4.4860 C.3 12 GLN12 0.0882 167 C 21.8860 35.3660 4.5940 C.2 12 GLN12 0.2187 168 O 22.3640 34.5630 3.8010 O.2 12 GLN12 -0.2778 169 CB 23.5355 37.1711 5.2160 C.3 12 GLN12 -0.0210 170 CG 24.0825 38.5702 4.8739 C.3 12 GLN12 0.0225 171 CD 25.2749 38.9266 5.7723 C.2 12 GLN12 0.1981 172 OE1 26.0656 38.0733 6.1570 O.2 12 GLN12 -0.2798 173 NE2 25.3573 40.2293 6.0840 N.am 12 GLN12 -0.2724 174 H 21.3160 38.1280 5.9780 H 12 GLN12 0.1312 175 HA 22.3306 37.0982 3.4258 H 12 GLN12 0.0557 176 HB1 24.2902 36.4261 4.9578 H 12 GLN12 0.0289 177 HB2 23.3718 37.0826 6.2920 H 12 GLN12 0.0289 178 HG1 23.3175 39.3382 4.9807 H 12 GLN12 0.0356 179 HG2 24.4135 38.6032 3.8366 H 12 GLN12 0.0356 180 HE21 26.1103 40.5949 6.6294 H 12 GLN12 0.1266 181 HE22 24.6734 40.9020 5.7925 H 12 GLN12 0.1266 182 N 21.0700 34.9770 5.5670 N.am 13 CYS13 -0.2449 183 CA 20.9170 33.5490 5.8380 C.3 13 CYS13 0.0965 184 C 19.5430 32.9490 5.5320 C.2 13 CYS13 0.2195 185 O 19.4040 31.7320 5.4600 O.2 13 CYS13 -0.2778 186 CB 21.2695 33.3477 7.3134 C.3 13 CYS13 0.0147 187 SG 22.9802 33.8519 7.6130 S.3 13 CYS13 -0.1762 188 H 20.5570 35.6650 6.1170 H 13 CYS13 0.1312 189 HA 21.6351 32.9712 5.2540 H 13 CYS13 0.0565 190 HB1 21.1588 32.3036 7.6067 H 13 CYS13 0.0394 191 HB2 20.6088 33.9368 7.9518 H 13 CYS13 0.0394 192 HG 23.2815 33.6848 8.9023 H 13 CYS13 0.1017 193 N 18.5380 33.7970 5.3390 N.am 14 PHE14 -0.2453 194 CA 17.2210 33.3290 4.9300 C.3 14 PHE14 0.0917 195 C 16.9350 33.5960 3.4510 C.2 14 PHE14 0.2190 196 O 17.4010 34.5820 2.8810 O.2 14 PHE14 -0.2778 197 CB 16.1319 33.9881 5.7913 C.3 14 PHE14 -0.0036 198 CG 16.1506 33.4701 7.2045 C.ar 14 PHE14 -0.0454 199 CD1 15.5004 32.2850 7.5373 C.ar 14 PHE14 -0.0585 200 CD2 16.8120 34.1751 8.2019 C.ar 14 PHE14 -0.0585 201 CE1 15.5110 31.8221 8.8465 C.ar 14 PHE14 -0.0615 202 CE2 16.8248 33.7163 9.5112 C.ar 14 PHE14 -0.0615 203 CZ 16.1752 32.5347 9.8340 C.ar 14 PHE14 -0.0617 204 H 18.6920 34.7950 5.4800 H 14 PHE14 0.1312 205 HA 17.1599 32.2486 5.0755 H 14 PHE14 0.0560 206 HB1 15.1404 33.7928 5.3782 H 14 PHE14 0.0333 207 HB2 16.2555 35.0716 5.7944 H 14 PHE14 0.0333 208 HD1 14.9782 31.7129 6.7831 H 14 PHE14 0.0620 209 HD2 17.3165 35.0914 7.9506 H 14 PHE14 0.0620 210 HE1 14.9996 30.9042 9.0955 H 14 PHE14 0.0618 211 HE2 17.3355 34.2809 10.2761 H 14 PHE14 0.0618 212 HZ 16.1826 32.1698 10.8497 H 14 PHE14 0.0618 213 N 16.1770 32.6940 2.8370 N.am 15 ASN15 -0.2452 214 CA 15.6810 32.8790 1.4800 C.3 15 ASN15 0.0959 215 C 14.8630 34.1640 1.3800 C.2 15 ASN15 0.2218 216 O 14.0310 34.4470 2.2480 O.2 15 ASN15 -0.2776 217 CB 14.8309 31.6391 1.1519 C.3 15 ASN15 0.0446 218 CG 14.3542 31.6016 -0.3049 C.2 15 ASN15 0.2000 219 OD1 13.4241 32.2924 -0.6932 O.2 15 ASN15 -0.2797 220 ND2 15.0442 30.7577 -1.0860 N.am 15 ASN15 -0.2723 221 H 15.9330 31.8380 3.3350 H 15 ASN15 0.1312 222 HA 16.5751 32.9128 0.8591 H 15 ASN15 0.0562 223 HB1 13.9562 31.6003 1.7951 H 15 ASN15 0.0375 224 HB2 15.4011 30.7324 1.3558 H 15 ASN15 0.0375 225 HD21 14.7928 30.6742 -2.0498 H 15 ASN15 0.1266 226 HD22 15.7992 30.2086 -0.7296 H 15 ASN15 0.1266 227 N 15.0970 34.9520 0.3190 N.am 16 PRO16 -0.2316 228 CA 14.4520 36.2640 0.1710 C.3 16 PRO16 0.0907 229 C 12.9280 36.2210 0.0890 C.2 16 PRO16 0.2189 230 O 12.3010 37.2280 0.4030 O.2 16 PRO16 -0.2778 231 CB 15.0844 36.8426 -1.1008 C.3 16 PRO16 -0.0276 232 CG 15.6065 35.6321 -1.8677 C.3 16 PRO16 -0.0379 233 CD 15.9972 34.6266 -0.7867 C.3 16 PRO16 0.0071 234 HA 14.7284 36.8584 1.0420 H 16 PRO16 0.0559 235 HB1 15.9270 37.4761 -0.8219 H 16 PRO16 0.0285 236 HB2 14.4041 37.4548 -1.6951 H 16 PRO16 0.0285 237 HG1 16.4331 35.8768 -2.5350 H 16 PRO16 0.0278 238 HG2 14.8004 35.2154 -2.4730 H 16 PRO16 0.0278 239 HD1 15.8570 33.6003 -1.1211 H 16 PRO16 0.0431 240 HD2 17.0175 34.7806 -0.4309 H 16 PRO16 0.0431 241 N 12.3390 35.0950 -0.3070 N.am 17 MET17 -0.2456 242 CA 10.8860 34.9660 -0.2300 C.3 17 MET17 0.0885 243 C 10.4400 34.9330 1.2290 C.2 17 MET17 0.2187 244 O 9.4360 35.5480 1.6060 O.2 17 MET17 -0.2778 245 CB 10.4632 33.6527 -0.9094 C.3 17 MET17 -0.0199 246 CG 8.9397 33.4434 -0.9636 C.3 17 MET17 -0.0047 247 SD 8.5275 31.6954 -1.1223 S.3 17 MET17 -0.1641 248 CE 8.6257 31.2302 0.6206 C.3 17 MET17 -0.0181 249 H 12.9020 34.3230 -0.6640 H 17 MET17 0.1312 250 HA 10.4372 35.8289 -0.7265 H 17 MET17 0.0557 251 HB1 10.9223 32.8168 -0.3799 H 17 MET17 0.0293 252 HB2 10.8658 33.6139 -1.9218 H 17 MET17 0.0293 253 HG1 8.4947 34.0026 -1.7869 H 17 MET17 0.0377 254 HG2 8.4498 33.8161 -0.0646 H 17 MET17 0.0377 255 HE1 9.0246 30.2199 0.7105 H 17 MET17 0.0340 256 HE2 7.6384 31.2560 1.0814 H 17 MET17 0.0340 257 HE3 9.2973 31.8930 1.1674 H 17 MET17 0.0340 258 N 11.1940 34.2060 2.0500 N.am 18 ILE18 -0.2454 259 CA 10.8980 34.1220 3.4790 C.3 18 ILE18 0.0903 260 C 11.0580 35.4950 4.1280 C.2 18 ILE18 0.2189 261 O 10.2010 35.9380 4.8860 O.2 18 ILE18 -0.2778 262 CB 11.7848 33.0611 4.1788 C.3 18 ILE18 -0.0201 263 CG1 11.6792 31.6901 3.4796 C.3 18 ILE18 -0.0514 264 CG2 11.4387 32.9391 5.6776 C.3 18 ILE18 -0.0605 265 CD1 12.6175 30.6262 4.0652 C.3 18 ILE18 -0.0650 266 H 11.9940 33.6970 1.6740 H 18 ILE18 0.1312 267 HA 9.8488 33.8337 3.5665 H 18 ILE18 0.0560 268 HB 12.8241 33.3834 4.1103 H 18 ILE18 0.0318 269 HG11 11.8994 31.7937 2.4185 H 18 ILE18 0.0266 270 HG12 10.6548 31.3291 3.5253 H 18 ILE18 0.0266 271 HG21 12.0991 32.2412 6.1918 H 18 ILE18 0.0233 272 HG22 10.4154 32.5911 5.8149 H 18 ILE18 0.0233 273 HG23 11.5355 33.8919 6.1981 H 18 ILE18 0.0233 274 HD11 12.6017 29.7195 3.4604 H 18 ILE18 0.0230 275 HD12 12.3199 30.3433 5.0741 H 18 ILE18 0.0230 276 HD13 13.6474 30.9820 4.1065 H 18 ILE18 0.0230 277 N 12.1520 36.1720 3.8030 N.am 19 VAL19 -0.2454 278 CA 12.3850 37.5280 4.2920 C.3 19 VAL19 0.0901 279 C 11.2540 38.4680 3.8850 C.2 19 VAL19 0.2189 280 O 10.7360 39.2150 4.7150 O.2 19 VAL19 -0.2778 281 CB 13.7642 38.0260 3.7983 C.3 19 VAL19 -0.0227 282 CG1 14.0798 39.4600 4.2562 C.3 19 VAL19 -0.0608 283 CG2 14.9018 37.0967 4.2570 C.3 19 VAL19 -0.0608 284 H 12.8460 35.7350 3.1970 H 19 VAL19 0.1312 285 HA 12.3866 37.4677 5.3820 H 19 VAL19 0.0560 286 HB 13.7469 38.0240 2.7082 H 19 VAL19 0.0315 287 HG11 15.0258 39.8016 3.8361 H 19 VAL19 0.0233 288 HG12 14.1694 39.5060 5.3408 H 19 VAL19 0.0233 289 HG13 13.3136 40.1713 3.9477 H 19 VAL19 0.0233 290 HG21 15.8666 37.4419 3.8841 H 19 VAL19 0.0233 291 HG22 14.7709 36.0757 3.9045 H 19 VAL19 0.0233 292 HG23 14.9633 37.0635 5.3453 H 19 VAL19 0.0233 293 N 10.8470 38.4120 2.6190 N.am 20 GLU20 -0.2456 294 CA 9.7490 39.2620 2.1530 C.3 20 GLU20 0.0883 295 C 8.4500 38.9730 2.9040 C.2 20 GLU20 0.2187 296 O 7.7390 39.8970 3.3210 O.2 20 GLU20 -0.2778 297 CB 9.6343 39.0168 0.6358 C.3 20 GLU20 -0.0193 298 CG 8.6901 39.9704 -0.1195 C.3 20 GLU20 0.0356 299 CD 7.3166 39.3588 -0.4409 C.2 20 GLU20 0.1760 300 OE1 6.7774 38.5981 0.3556 O.co2 20 GLU20 -0.6478 301 OE2 6.7580 39.6493 -1.4976 O.co2 20 GLU20 -0.6478 302 H 11.3030 37.7720 1.9690 H 20 GLU20 0.1312 303 HA 10.0385 40.2956 2.3480 H 20 GLU20 0.0557 304 HB1 9.3863 37.9735 0.4317 H 20 GLU20 0.0290 305 HB2 10.6298 39.1554 0.2141 H 20 GLU20 0.0290 306 HG1 9.1470 40.2511 -1.0686 H 20 GLU20 0.0374 307 HG2 8.5369 40.8937 0.4372 H 20 GLU20 0.0374 308 N 8.1420 37.6920 3.0990 N.am 21 LEU21 -0.2456 309 CA 6.9350 37.3280 3.8470 C.3 21 LEU21 0.0880 310 C 7.0100 37.8010 5.2950 C.2 21 LEU21 0.2187 311 O 6.0040 38.1910 5.8960 O.2 21 LEU21 -0.2778 312 CB 6.7427 35.8039 3.7773 C.3 21 LEU21 -0.0266 313 CG 6.3929 35.2954 2.3648 C.3 21 LEU21 -0.0449 314 CD1 6.6030 33.7797 2.2671 C.3 21 LEU21 -0.0626 315 CD2 4.9592 35.6649 1.9636 C.3 21 LEU21 -0.0626 316 H 8.7480 36.9610 2.7260 H 21 LEU21 0.1312 317 HA 6.0975 37.8426 3.3768 H 21 LEU21 0.0557 318 HB1 5.9608 35.4874 4.4700 H 21 LEU21 0.0287 319 HB2 7.6609 35.3243 4.1203 H 21 LEU21 0.0287 320 HG 7.0582 35.7657 1.6416 H 21 LEU21 0.0296 321 HD11 6.3970 33.4202 1.2590 H 21 LEU21 0.0232 322 HD12 5.9415 33.2509 2.9526 H 21 LEU21 0.0232 323 HD13 7.6304 33.5081 2.5115 H 21 LEU21 0.0232 324 HD21 4.7264 35.2931 0.9658 H 21 LEU21 0.0232 325 HD22 4.8114 36.7439 1.9506 H 21 LEU21 0.0232 326 HD23 4.2372 35.2350 2.6565 H 21 LEU21 0.0232 327 N 8.2100 37.7590 5.8560 N.am 22 ALA22 -0.2459 328 CA 8.4140 38.1640 7.2350 C.3 22 ALA22 0.0850 329 C 8.1810 39.6680 7.3580 C.2 22 ALA22 0.2184 330 O 7.4980 40.1390 8.2710 O.2 22 ALA22 -0.2778 331 CB 9.8222 37.7557 7.6823 C.3 22 ALA22 -0.0411 332 H 9.0070 37.4350 5.3070 H 22 ALA22 0.1312 333 HA 7.6662 37.6492 7.8410 H 22 ALA22 0.0554 334 HB1 10.0088 38.0393 8.7187 H 22 ALA22 0.0249 335 HB2 10.5910 38.2131 7.0606 H 22 ALA22 0.0249 336 HB3 9.9496 36.6757 7.6097 H 22 ALA22 0.0249 337 N 8.7540 40.4090 6.4170 N.am 23 GLU23 -0.2456 338 CA 8.5460 41.8490 6.3130 C.3 23 GLU23 0.0883 339 C 7.0650 42.2010 6.2240 C.2 23 GLU23 0.2187 340 O 6.5770 43.0590 6.9600 O.2 23 GLU23 -0.2778 341 CB 9.2380 42.3672 5.0437 C.3 23 GLU23 -0.0193 342 CG 10.7699 42.5005 5.1533 C.3 23 GLU23 0.0356 343 CD 11.2050 43.8522 4.5667 C.2 23 GLU23 0.1760 344 OE1 10.7445 44.2273 3.4988 O.co2 23 GLU23 -0.6478 345 OE2 11.9743 44.5730 5.1803 O.co2 23 GLU23 -0.6478 346 H 9.3640 39.9530 5.7390 H 23 GLU23 0.1312 347 HA 8.9585 42.3071 7.2134 H 23 GLU23 0.0557 348 HB1 8.7916 43.3297 4.7921 H 23 GLU23 0.0290 349 HB2 9.0035 41.7316 4.1919 H 23 GLU23 0.0290 350 HG1 11.2800 41.6990 4.6205 H 23 GLU23 0.0374 351 HG2 11.0912 42.4573 6.1924 H 23 GLU23 0.0374 352 N 6.3500 41.5300 5.3260 N.am 24 LYS24 -0.2457 353 CA 4.9130 41.7620 5.1850 C.3 24 LYS24 0.0878 354 C 4.1280 41.4190 6.4440 C.2 24 LYS24 0.2187 355 O 3.1590 42.1040 6.7860 O.2 24 LYS24 -0.2778 356 CB 4.3518 40.8177 4.1069 C.3 24 LYS24 -0.0289 357 CG 4.6845 41.1961 2.6659 C.3 24 LYS24 -0.0496 358 CD 4.1818 40.0996 1.7188 C.3 24 LYS24 -0.0278 359 CE 4.3741 40.4489 0.2444 C.3 24 LYS24 0.1103 360 NZ 4.4705 39.2493 -0.5798 N.4 24 LYS24 -0.0749 361 H 6.8100 40.8440 4.7270 H 24 LYS24 0.1312 362 HA 4.7503 42.8104 4.9335 H 24 LYS24 0.0557 363 HB1 3.2624 40.7667 4.1755 H 24 LYS24 0.0285 364 HB2 4.7076 39.8043 4.3027 H 24 LYS24 0.0285 365 HG1 5.7611 41.3214 2.5455 H 24 LYS24 0.0266 366 HG2 4.2230 42.1527 2.4197 H 24 LYS24 0.0266 367 HD1 3.1305 39.8792 1.9084 H 24 LYS24 0.0282 368 HD2 4.7302 39.1852 1.9503 H 24 LYS24 0.0282 369 HE1 5.3059 41.0035 0.1228 H 24 LYS24 0.0559 370 HE2 3.5728 41.0832 -0.1359 H 24 LYS24 0.0559 371 HZ1 4.9713 39.4800 -1.4656 H 24 LYS24 0.2742 372 HZ2 3.5553 38.7949 -0.7315 H 24 LYS24 0.2742 373 HZ3 5.1395 38.5924 -0.1228 H 24 LYS24 0.2742 374 N 4.5420 40.3610 7.1330 N.am 25 THR25 -0.2434 375 CA 3.9030 39.9910 8.3900 C.3 25 THR25 0.1135 376 C 4.0810 41.1010 9.4140 C.2 25 THR25 0.2212 377 O 3.1450 41.4650 10.1260 O.2 25 THR25 -0.2777 378 CB 4.4709 38.6502 8.9032 C.3 25 THR25 0.0763 379 OG1 4.1818 37.6686 7.9220 O.3 25 THR25 -0.3900 380 CG2 3.8677 38.2214 10.2554 C.3 25 THR25 -0.0370 381 H 5.3170 39.8010 6.7780 H 25 THR25 0.1313 382 HA 2.8359 39.8805 8.1885 H 25 THR25 0.0583 383 HB 5.5564 38.7543 9.0055 H 25 THR25 0.0611 384 HG1 4.5502 36.8233 8.1574 H 25 THR25 0.2098 385 HG21 4.2811 37.2744 10.6035 H 25 THR25 0.0255 386 HG22 2.7863 38.1057 10.1783 H 25 THR25 0.0255 387 HG23 4.0685 38.9564 11.0347 H 25 THR25 0.0255 388 N 5.2900 41.6460 9.4810 N.am 26 MET26 -0.2456 389 CA 5.5740 42.6880 10.4630 C.3 26 MET26 0.0886 390 C 4.8450 43.9900 10.1480 C.2 26 MET26 0.2187 391 O 4.3150 44.6380 11.0420 O.2 26 MET26 -0.2778 392 CB 7.0847 42.9234 10.6097 C.3 26 MET26 -0.0199 393 CG 7.7828 41.7648 11.3305 C.3 26 MET26 -0.0047 394 SD 9.4799 42.1837 11.7682 S.3 26 MET26 -0.1641 395 CE 9.1832 43.1135 13.2867 C.3 26 MET26 -0.0181 396 H 6.0230 41.3350 8.8440 H 26 MET26 0.1312 397 HA 5.1791 42.3393 11.4202 H 26 MET26 0.0557 398 HB1 7.2538 43.8311 11.1922 H 26 MET26 0.0293 399 HB2 7.5419 43.0923 9.6340 H 26 MET26 0.0293 400 HG1 7.7829 40.8595 10.7236 H 26 MET26 0.0377 401 HG2 7.2441 41.5114 12.2442 H 26 MET26 0.0377 402 HE1 10.0847 43.1246 13.8993 H 26 MET26 0.0340 403 HE2 8.3947 42.6478 13.8781 H 26 MET26 0.0340 404 HE3 8.8877 44.1380 13.0594 H 26 MET26 0.0340 405 N 4.8270 44.3680 8.8750 N.am 27 LYS27 -0.2457 406 CA 4.1360 45.5820 8.4520 C.3 27 LYS27 0.0878 407 C 2.6310 45.4760 8.6790 C.2 27 LYS27 0.2187 408 O 1.9940 46.4170 9.1520 O.2 27 LYS27 -0.2778 409 CB 4.6802 45.8783 7.0293 C.3 27 LYS27 -0.0289 410 CG 6.2209 46.1391 7.0699 C.3 27 LYS27 -0.0496 411 CD 7.0187 45.9954 5.7500 C.3 27 LYS27 -0.0278 412 CE 8.5437 45.8894 6.0236 C.3 27 LYS27 0.1103 413 NZ 9.4544 45.9054 4.8685 N.4 27 LYS27 -0.0749 414 H 5.3060 43.7980 8.1780 H 27 LYS27 0.1312 415 HA 4.4795 46.3763 9.1182 H 27 LYS27 0.0557 416 HB1 4.1683 46.7371 6.5946 H 27 LYS27 0.0285 417 HB2 4.4648 45.0246 6.3850 H 27 LYS27 0.0285 418 HG1 6.6903 45.4586 7.7791 H 27 LYS27 0.0266 419 HG2 6.3964 47.1297 7.4911 H 27 LYS27 0.0266 420 HD1 6.8029 46.8433 5.0996 H 27 LYS27 0.0282 421 HD2 6.6899 45.1018 5.2178 H 27 LYS27 0.0282 422 HE1 8.7385 44.9634 6.5683 H 27 LYS27 0.0559 423 HE2 8.8536 46.7009 6.6846 H 27 LYS27 0.0559 424 HZ1 10.4467 45.7327 5.1631 H 27 LYS27 0.2742 425 HZ2 9.4061 46.7911 4.3360 H 27 LYS27 0.2742 426 HZ3 9.2830 45.1032 4.2216 H 27 LYS27 0.2742 427 N 2.0750 44.3140 8.3560 N.am 28 GLU28 -0.2456 428 CA 0.6580 44.0510 8.5700 C.3 28 GLU28 0.0883 429 C 0.2590 44.1690 10.0410 C.2 28 GLU28 0.2187 430 O -0.8540 44.5830 10.3550 O.2 28 GLU28 -0.2778 431 CB 0.2634 42.6686 7.9979 C.3 28 GLU28 -0.0193 432 CG -1.2259 42.4994 7.6035 C.3 28 GLU28 0.0356 433 CD -2.2009 42.1469 8.7457 C.2 28 GLU28 0.1760 434 OE1 -2.0372 41.1210 9.3975 O.co2 28 GLU28 -0.6478 435 OE2 -3.1475 42.8894 8.9918 O.co2 28 GLU28 -0.6478 436 H 2.6580 43.5840 7.9460 H 28 GLU28 0.1312 437 HA 0.1229 44.8283 8.0226 H 28 GLU28 0.0557 438 HB1 0.5897 41.8593 8.6531 H 28 GLU28 0.0290 439 HB2 0.8232 42.5346 7.0747 H 28 GLU28 0.0290 440 HG1 -1.3091 41.6874 6.8817 H 28 GLU28 0.0374 441 HG2 -1.5870 43.3927 7.0947 H 28 GLU28 0.0374 442 N 1.1680 43.8060 10.9400 N.am 29 TYR29 -0.2453 443 CA 0.8650 43.8080 12.3730 C.3 29 TYR29 0.0917 444 C 1.4110 45.0390 13.1130 C.2 29 TYR29 0.2188 445 O 1.3710 45.1080 14.3380 O.2 29 TYR29 -0.2778 446 CB 1.4603 42.5241 12.9927 C.3 29 TYR29 -0.0036 447 CG 0.4485 41.4107 13.0189 C.ar 29 TYR29 -0.0453 448 CD1 -0.2273 41.1077 14.1975 C.ar 29 TYR29 -0.0561 449 CD2 0.1332 40.7112 11.8595 C.ar 29 TYR29 -0.0561 450 CE1 -1.2282 40.1458 14.2090 C.ar 29 TYR29 -0.0317 451 CE2 -0.8688 39.7509 11.8691 C.ar 29 TYR29 -0.0317 452 CZ -1.5699 39.4894 13.0368 C.ar 29 TYR29 0.0726 453 OH -2.6255 38.5993 13.0244 O.3 29 TYR29 -0.3598 454 H 2.0950 43.5200 10.6260 H 29 TYR29 0.1312 455 HA -0.2167 43.8173 12.5142 H 29 TYR29 0.0560 456 HB1 1.8036 42.6839 14.0163 H 29 TYR29 0.0333 457 HB2 2.3441 42.2055 12.4393 H 29 TYR29 0.0333 458 HD1 0.0121 41.6431 15.1052 H 29 TYR29 0.0621 459 HD2 0.6314 40.9450 10.9289 H 29 TYR29 0.0621 460 HE1 -1.7647 39.9310 15.1198 H 29 TYR29 0.0643 461 HE2 -1.1332 39.2500 10.9490 H 29 TYR29 0.0643 462 HH -2.7253 38.2834 12.1332 H 29 TYR29 0.2173 463 N 1.9070 46.0160 12.3610 N.am 30 GLY30 -0.2485 464 CA 2.3490 47.2670 12.9460 C.3 30 GLY30 0.0765 465 C 3.6020 47.1570 13.7940 C.2 30 GLY30 0.2155 466 O 3.6180 47.5710 14.9530 O.2 30 GLY30 -0.2781 467 H 1.9780 45.8830 11.3520 H 30 GLY30 0.1309 468 HA1 1.5330 47.6692 13.5477 H 30 GLY30 0.0521 469 HA2 2.5351 47.9509 12.1189 H 30 GLY30 0.0521 470 N 4.6570 46.5930 13.2180 N.am 31 GLU31 -0.2459 471 CA 5.9350 46.4820 13.9100 C.3 31 GLU31 0.0883 472 C 7.0810 46.9070 12.9990 C.2 31 GLU31 0.2187 473 O 7.0810 46.6060 11.8040 O.2 31 GLU31 -0.2778 474 CB 6.1542 45.0307 14.3668 C.3 31 GLU31 -0.0193 475 CG 5.2245 44.6228 15.5310 C.3 31 GLU31 0.0356 476 CD 5.9881 43.8645 16.6288 C.2 31 GLU31 0.1760 477 OE1 5.5484 42.8096 17.0796 O.co2 31 GLU31 -0.6478 478 OE2 7.0415 44.3320 17.0475 O.co2 31 GLU31 -0.6478 479 H 4.5710 46.2290 12.2690 H 31 GLU31 0.1312 480 HA 5.9438 47.1488 14.7750 H 31 GLU31 0.0557 481 HB1 7.1998 44.9225 14.6617 H 31 GLU31 0.0290 482 HB2 6.0202 44.3429 13.5308 H 31 GLU31 0.0290 483 HG1 4.3933 44.0168 15.1707 H 31 GLU31 0.0374 484 HG2 4.7895 45.4988 16.0098 H 31 GLU31 0.0374 485 N 8.0550 47.6130 13.5650 N.am 32 ASP32 -0.2451 486 CA 9.2090 48.0680 12.7960 C.3 32 ASP32 0.0974 487 C 10.3420 47.0630 12.9310 C.2 32 ASP32 0.2192 488 O 10.8710 46.8610 14.0220 O.2 32 ASP32 -0.2778 489 CB 9.6572 49.4589 13.2793 C.3 32 ASP32 0.0576 490 CG 10.6207 50.1696 12.3009 C.2 32 ASP32 0.1780 491 OD1 11.1523 49.5594 11.3746 O.co2 32 ASP32 -0.6478 492 OD2 10.8554 51.3636 12.4530 O.co2 32 ASP32 -0.6478 493 H 7.9950 47.8410 14.5570 H 32 ASP32 0.1312 494 HA 8.9164 48.1390 11.7464 H 32 ASP32 0.0563 495 HB1 10.1326 49.4033 14.2583 H 32 ASP32 0.0394 496 HB2 8.7841 50.1004 13.3923 H 32 ASP32 0.0394 497 N 10.7200 46.4460 11.8170 N.am 33 LEU33 -0.2456 498 CA 11.7480 45.4130 11.8470 C.3 33 LEU33 0.0880 499 C 13.1120 45.9850 12.2300 C.2 33 LEU33 0.2187 500 O 13.9560 45.2810 12.7770 O.2 33 LEU33 -0.2778 501 CB 11.7658 44.6752 10.5055 C.3 33 LEU33 -0.0266 502 CG 12.0777 45.5722 9.2921 C.3 33 LEU33 -0.0449 503 CD1 13.5763 45.5760 8.9670 C.3 33 LEU33 -0.0626 504 CD2 11.2626 45.1209 8.0798 C.3 33 LEU33 -0.0626 505 H 10.2850 46.6980 10.9300 H 33 LEU33 0.1312 506 HA 11.4678 44.7092 12.6332 H 33 LEU33 0.0557 507 HB1 10.7797 44.2280 10.3800 H 33 LEU33 0.0287 508 HB2 12.4578 43.8325 10.5450 H 33 LEU33 0.0287 509 HG 11.7793 46.5994 9.5024 H 33 LEU33 0.0296 510 HD11 13.7824 46.1315 8.0523 H 33 LEU33 0.0232 511 HD12 13.9456 44.5586 8.8395 H 33 LEU33 0.0232 512 HD13 14.1734 46.0293 9.7553 H 33 LEU33 0.0232 513 HD21 11.4021 45.8115 7.2498 H 33 LEU33 0.0232 514 HD22 10.1992 45.0949 8.3156 H 33 LEU33 0.0232 515 HD23 11.5602 44.1222 7.7597 H 33 LEU33 0.0232 516 N 13.3250 47.2640 11.9400 N.am 34 LYS34 -0.2457 517 CA 14.6110 47.8980 12.2230 C.3 34 LYS34 0.0878 518 C 14.8430 48.0860 13.7250 C.2 34 LYS34 0.2187 519 O 15.9730 48.2800 14.1630 O.2 34 LYS34 -0.2778 520 CB 14.6512 49.2579 11.5187 C.3 34 LYS34 -0.0289 521 CG 14.4338 49.1560 9.9976 C.3 34 LYS34 -0.0496 522 CD 14.3680 50.5219 9.2964 C.3 34 LYS34 -0.0278 523 CE 12.9914 51.1955 9.4043 C.3 34 LYS34 0.1103 524 NZ 12.6237 51.5396 10.7703 N.4 34 LYS34 -0.0749 525 H 12.5790 47.8120 11.5130 H 34 LYS34 0.1312 526 HA 15.3926 47.2434 11.8311 H 34 LYS34 0.0557 527 HB1 15.6108 49.7406 11.7091 H 34 LYS34 0.0285 528 HB2 13.8954 49.8901 11.9778 H 34 LYS34 0.0285 529 HG1 13.5285 48.5935 9.7656 H 34 LYS34 0.0266 530 HG2 15.2563 48.5762 9.5752 H 34 LYS34 0.0266 531 HD1 14.5870 50.3724 8.2384 H 34 LYS34 0.0282 532 HD2 15.1517 51.1794 9.6745 H 34 LYS34 0.0282 533 HE1 12.2165 50.5323 9.0141 H 34 LYS34 0.0559 534 HE2 12.9659 52.1096 8.8098 H 34 LYS34 0.0559 535 HZ1 11.6439 51.8915 10.8408 H 34 LYS34 0.2742 536 HZ2 13.2827 52.1951 11.2219 H 34 LYS34 0.2742 537 HZ3 12.5351 50.6734 11.3479 H 34 LYS34 0.2742 538 N 13.7660 48.0080 14.5010 N.am 35 ILE35 -0.2454 539 CA 13.8540 48.0260 15.9550 C.3 35 ILE35 0.0903 540 C 13.6640 46.6230 16.5540 C.2 35 ILE35 0.2189 541 O 14.4450 46.1920 17.4050 O.2 35 ILE35 -0.2778 542 CB 12.7652 48.9926 16.4872 C.3 35 ILE35 -0.0201 543 CG1 12.8459 50.3794 15.8085 C.3 35 ILE35 -0.0514 544 CG2 12.8330 49.1237 18.0207 C.3 35 ILE35 -0.0605 545 CD1 11.7149 51.3331 16.2126 C.3 35 ILE35 -0.0650 546 H 12.8470 47.9330 14.0630 H 35 ILE35 0.1312 547 HA 14.8392 48.3871 16.2542 H 35 ILE35 0.0560 548 HB 11.7905 48.5716 16.2323 H 35 ILE35 0.0318 549 HG11 12.7930 50.2740 14.7246 H 35 ILE35 0.0266 550 HG12 13.8101 50.8406 16.0233 H 35 ILE35 0.0266 551 HG21 12.0245 49.7430 18.4067 H 35 ILE35 0.0233 552 HG22 13.7771 49.5686 18.3350 H 35 ILE35 0.0233 553 HG23 12.7418 48.1559 18.5140 H 35 ILE35 0.0233 554 HD11 11.7504 52.2452 15.6167 H 35 ILE35 0.0230 555 HD12 11.7859 51.6245 17.2599 H 35 ILE35 0.0230 556 HD13 10.7390 50.8742 16.0531 H 35 ILE35 0.0230 557 N 12.6390 45.9090 16.0940 N.am 36 GLU36 -0.2456 558 CA 12.3790 44.5500 16.5620 C.3 36 GLU36 0.0883 559 C 13.1030 43.5150 15.7000 C.2 36 GLU36 0.2188 560 O 12.4680 42.6750 15.0710 O.2 36 GLU36 -0.2778 561 CB 10.8606 44.3375 16.7259 C.3 36 GLU36 -0.0193 562 CG 10.4529 44.3024 18.2116 C.3 36 GLU36 0.0356 563 CD 10.7733 42.9536 18.8979 C.2 36 GLU36 0.1760 564 OE1 11.8095 42.3533 18.6184 O.co2 36 GLU36 -0.6478 565 OE2 9.9687 42.5047 19.7127 O.co2 36 GLU36 -0.6478 566 H 12.0190 46.3220 15.3970 H 36 GLU36 0.1312 567 HA 12.8359 44.4517 17.5488 H 36 GLU36 0.0557 568 HB1 10.5032 43.4369 16.2307 H 36 GLU36 0.0290 569 HB2 10.3297 45.1533 16.2338 H 36 GLU36 0.0290 570 HG1 9.3858 44.4969 18.3000 H 36 GLU36 0.0374 571 HG2 10.9509 45.0957 18.7676 H 36 GLU36 0.0374 572 N 14.4310 43.5800 15.6710 N.am 37 THR37 -0.2434 573 CA 15.2210 42.7500 14.7650 C.3 37 THR37 0.1135 574 C 15.2140 41.2780 15.1710 C.2 37 THR37 0.2212 575 O 15.1250 40.3880 14.3190 O.2 37 THR37 -0.2777 576 CB 16.6663 43.2822 14.6850 C.3 37 THR37 0.0763 577 OG1 17.2627 43.2008 15.9727 O.3 37 THR37 -0.3900 578 CG2 16.7149 44.7150 14.1210 C.3 37 THR37 -0.0370 579 H 14.9100 44.2260 16.2980 H 37 THR37 0.1313 580 HA 14.7546 42.8252 13.7807 H 37 THR37 0.0583 581 HB 17.2180 42.6317 13.9983 H 37 THR37 0.0611 582 HG1 18.1063 43.6393 15.9805 H 37 THR37 0.2098 583 HG21 17.7351 45.0854 14.0197 H 37 THR37 0.0255 584 HG22 16.1652 45.4167 14.7494 H 37 THR37 0.0255 585 HG23 16.2798 44.7460 13.1232 H 37 THR37 0.0255 586 N 15.3090 41.0280 16.4720 N.am 38 ASN38 -0.2451 587 CA 15.2250 39.6700 16.9830 C.3 38 ASN38 0.0957 588 C 13.8920 39.0380 16.6170 C.2 38 ASN38 0.2191 589 O 13.8400 37.8810 16.2090 O.2 38 ASN38 -0.2778 590 CB 15.3300 39.6599 18.5086 C.3 38 ASN38 0.0446 591 CG 16.7692 39.9055 18.9728 C.2 38 ASN38 0.2000 592 OD1 17.6892 39.1863 18.6075 O.2 38 ASN38 -0.2797 593 ND2 16.9073 40.9479 19.8043 N.am 38 ASN38 -0.2723 594 H 15.4430 41.8020 17.1230 H 38 ASN38 0.1312 595 HA 16.0200 39.0870 16.5138 H 38 ASN38 0.0562 596 HB1 15.0286 38.6795 18.8770 H 38 ASN38 0.0375 597 HB2 14.6579 40.3971 18.9531 H 38 ASN38 0.0375 598 HD21 17.8042 41.1554 20.1939 H 38 ASN38 0.1266 599 HD22 16.1285 41.5287 20.0439 H 38 ASN38 0.1266 600 N 12.8150 39.8040 16.7580 N.am 39 LYS39 -0.2456 601 CA 11.4950 39.3120 16.3900 C.3 39 LYS39 0.0878 602 C 11.4420 39.0120 14.8870 C.2 39 LYS39 0.2187 603 O 10.8830 38.0110 14.4610 O.2 39 LYS39 -0.2778 604 CB 10.4043 40.3125 16.7670 C.3 39 LYS39 -0.0289 605 CG 8.9870 39.8668 16.3591 C.3 39 LYS39 -0.0496 606 CD 7.9282 40.9185 16.6971 C.3 39 LYS39 -0.0278 607 CE 7.7369 41.1116 18.2080 C.3 39 LYS39 0.1103 608 NZ 7.7358 42.5186 18.5604 N.4 39 LYS39 -0.0749 609 H 12.9140 40.7490 17.1290 H 39 LYS39 0.1312 610 HA 11.3375 38.3783 16.9304 H 39 LYS39 0.0557 611 HB1 10.6295 41.2791 16.3198 H 39 LYS39 0.0285 612 HB2 10.4460 40.4487 17.8445 H 39 LYS39 0.0285 613 HG1 8.7385 38.9157 16.8304 H 39 LYS39 0.0266 614 HG2 8.9520 39.6974 15.2843 H 39 LYS39 0.0266 615 HD1 6.9744 40.6449 16.2444 H 39 LYS39 0.0282 616 HD2 8.2144 41.8611 16.2270 H 39 LYS39 0.0282 617 HE1 8.5350 40.6371 18.7777 H 39 LYS39 0.0559 618 HE2 6.7986 40.6746 18.5504 H 39 LYS39 0.0559 619 HZ1 8.0946 42.6692 19.5240 H 39 LYS39 0.2742 620 HZ2 6.8068 42.9549 18.3635 H 39 LYS39 0.2742 621 HZ3 8.3772 43.0343 17.9279 H 39 LYS39 0.2742 622 N 12.0430 39.8840 14.0900 N.am 40 PHE40 -0.2453 623 CA 12.1610 39.6690 12.6560 C.3 40 PHE40 0.0917 624 C 12.8150 38.3050 12.3690 C.2 40 PHE40 0.2190 625 O 12.3280 37.5140 11.5420 O.2 40 PHE40 -0.2778 626 CB 12.9024 40.8527 12.0056 C.3 40 PHE40 -0.0036 627 CG 12.9317 40.8090 10.4970 C.ar 40 PHE40 -0.0454 628 CD1 11.7707 40.5863 9.7609 C.ar 40 PHE40 -0.0585 629 CD2 14.1193 41.0535 9.8109 C.ar 40 PHE40 -0.0585 630 CE1 11.7968 40.6125 8.3749 C.ar 40 PHE40 -0.0615 631 CE2 14.1464 41.0659 8.4224 C.ar 40 PHE40 -0.0615 632 CZ 12.9824 40.8540 7.7025 C.ar 40 PHE40 -0.0617 633 H 12.4360 40.7340 14.4950 H 40 PHE40 0.1312 634 HA 11.1344 39.6229 12.2924 H 40 PHE40 0.0560 635 HB1 13.9241 40.9067 12.3730 H 40 PHE40 0.0333 636 HB2 12.4278 41.7878 12.3054 H 40 PHE40 0.0333 637 HD1 10.8301 40.4025 10.2559 H 40 PHE40 0.0620 638 HD2 15.0346 41.2522 10.3506 H 40 PHE40 0.0620 639 HE1 10.8910 40.4496 7.8179 H 40 PHE40 0.0618 640 HE2 15.0752 41.2510 7.9036 H 40 PHE40 0.0618 641 HZ 12.9935 40.8895 6.6242 H 40 PHE40 0.0618 642 N 13.9040 38.0240 13.0790 N.am 41 ALA41 -0.2459 643 CA 14.6080 36.7520 12.9270 C.3 41 ALA41 0.0850 644 C 13.7370 35.5640 13.3520 C.2 41 ALA41 0.2184 645 O 13.7500 34.5100 12.7100 O.2 41 ALA41 -0.2778 646 CB 15.9147 36.8035 13.7291 C.3 41 ALA41 -0.0411 647 H 14.2560 38.7120 13.7450 H 41 ALA41 0.1312 648 HA 14.8320 36.6408 11.8644 H 41 ALA41 0.0554 649 HB1 16.4982 35.8917 13.5971 H 41 ALA41 0.0249 650 HB2 15.7284 36.9343 14.7942 H 41 ALA41 0.0249 651 HB3 16.5326 37.6406 13.4039 H 41 ALA41 0.0249 652 N 12.9840 35.7420 14.4350 N.am 42 ALA42 -0.2459 653 CA 12.0900 34.7080 14.9410 C.3 42 ALA42 0.0850 654 C 10.9810 34.3840 13.9460 C.2 42 ALA42 0.2184 655 O 10.6190 33.2240 13.7490 O.2 42 ALA42 -0.2778 656 CB 11.5076 35.1702 16.2816 C.3 42 ALA42 -0.0411 657 H 13.0340 36.6330 14.9280 H 42 ALA42 0.1312 658 HA 12.6927 33.8094 15.0814 H 42 ALA42 0.0554 659 HB1 10.8785 34.3989 16.7266 H 42 ALA42 0.0249 660 HB2 10.9033 36.0702 16.1643 H 42 ALA42 0.0249 661 HB3 12.3042 35.3997 16.9894 H 42 ALA42 0.0249 662 N 10.4380 35.4240 13.3300 N.am 43 ILE43 -0.2454 663 CA 9.3980 35.2800 12.3220 C.3 43 ILE43 0.0903 664 C 9.9210 34.5380 11.0960 C.2 43 ILE43 0.2190 665 O 9.2500 33.6370 10.5760 O.2 43 ILE43 -0.2778 666 CB 8.8233 36.6742 11.9613 C.3 43 ILE43 -0.0201 667 CG1 8.0366 37.2626 13.1510 C.3 43 ILE43 -0.0514 668 CG2 7.9335 36.6461 10.7000 C.3 43 ILE43 -0.0605 669 CD1 7.7050 38.7512 12.9890 C.3 43 ILE43 -0.0650 670 H 10.7610 36.3610 13.5720 H 43 ILE43 0.1312 671 HA 8.6102 34.6646 12.7590 H 43 ILE43 0.0560 672 HB 9.6672 37.3346 11.7531 H 43 ILE43 0.0318 673 HG11 8.6031 37.1435 14.0737 H 43 ILE43 0.0266 674 HG12 7.1147 36.6984 13.2952 H 43 ILE43 0.0266 675 HG21 7.5416 37.6333 10.4578 H 43 ILE43 0.0233 676 HG22 7.0853 35.9731 10.8282 H 43 ILE43 0.0233 677 HG23 8.4883 36.3188 9.8220 H 43 ILE43 0.0233 678 HD11 7.1955 39.1326 13.8740 H 43 ILE43 0.0230 679 HD12 7.0475 38.9317 12.1394 H 43 ILE43 0.0230 680 HD13 8.6118 39.3402 12.8480 H 43 ILE43 0.0230 681 N 11.1280 34.8940 10.6540 N.am 44 CYS44 -0.2449 682 CA 11.7480 34.1690 9.5420 C.3 44 CYS44 0.0965 683 C 11.9630 32.6900 9.8580 C.2 44 CYS44 0.2195 684 O 11.6710 31.8230 9.0340 O.2 44 CYS44 -0.2778 685 CB 13.0630 34.8570 9.1589 C.3 44 CYS44 0.0147 686 SG 12.8013 36.5479 8.5622 S.3 44 CYS44 -0.1762 687 H 11.6210 35.6730 11.0910 H 44 CYS44 0.1312 688 HA 11.0568 34.2287 8.7003 H 44 CYS44 0.0565 689 HB1 13.5658 34.2946 8.3727 H 44 CYS44 0.0394 690 HB2 13.7400 34.8848 10.0138 H 44 CYS44 0.0394 691 HG 13.9743 37.1698 8.4352 H 44 CYS44 0.1017 692 N 12.4970 32.4240 11.0490 N.am 45 THR45 -0.2434 693 CA 12.7610 31.0640 11.5040 C.3 45 THR45 0.1135 694 C 11.4880 30.2330 11.5420 C.2 45 THR45 0.2212 695 O 11.4410 29.1180 11.0170 O.2 45 THR45 -0.2777 696 CB 13.4828 31.0220 12.8639 C.3 45 THR45 0.0763 697 OG1 14.6556 31.8175 12.7895 O.3 45 THR45 -0.3900 698 CG2 13.8725 29.5742 13.2226 C.3 45 THR45 -0.0370 699 H 12.7300 33.2020 11.6670 H 45 THR45 0.1313 700 HA 13.4117 30.6209 10.7489 H 45 THR45 0.0583 701 HB 12.8074 31.4366 13.6220 H 45 THR45 0.0611 702 HG1 15.0929 31.8663 13.6320 H 45 THR45 0.2098 703 HG21 14.4174 29.5086 14.1591 H 45 THR45 0.0255 704 HG22 14.5045 29.1419 12.4468 H 45 THR45 0.0255 705 HG23 12.9961 28.9346 13.3219 H 45 THR45 0.0255 706 N 10.4550 30.7840 12.1730 N.am 46 HIS46 -0.2452 707 CA 9.1650 30.1140 12.2800 C.3 46 HIS46 0.0932 708 C 8.5890 29.8060 10.9000 C.2 46 HIS46 0.2190 709 O 8.1070 28.6870 10.6430 O.2 46 HIS46 -0.2778 710 CB 8.2060 30.9790 13.1070 C.3 46 HIS46 0.0146 711 CG 6.8150 30.4270 13.2060 C.ar 46 HIS46 0.0551 712 ND1 5.7980 30.8280 12.3650 N.ar 46 HIS46 -0.2469 713 CD2 6.2630 29.5340 14.0650 C.ar 46 HIS46 0.0047 714 CE1 4.6830 30.1940 12.6880 C.ar 46 HIS46 0.0737 715 NE2 4.9370 29.4050 13.7190 N.ar 46 HIS46 -0.2539 716 H 10.5690 31.7050 12.5960 H 46 HIS46 0.1312 717 HA 9.3170 29.1490 12.8180 H 46 HIS46 0.0561 718 HB1 8.1860 32.0230 12.7160 H 46 HIS46 0.0348 719 HB2 8.6160 31.0250 14.1430 H 46 HIS46 0.0348 720 HD2 6.7800 29.0100 14.8860 H 46 HIS46 0.0764 721 HE1 3.7080 30.3040 12.1840 H 46 HIS46 0.0963 722 HE2 4.2600 28.7990 14.1830 H 46 HIS46 0.1339 723 N 8.6610 30.7970 10.0100 N.am 47 LEU47 -0.2456 724 CA 8.1930 30.6220 8.6380 C.3 47 LEU47 0.0880 725 C 8.9190 29.4790 7.9540 C.2 47 LEU47 0.2187 726 O 8.2950 28.6160 7.3340 O.2 47 LEU47 -0.2778 727 CB 8.4279 31.9293 7.8474 C.3 47 LEU47 -0.0266 728 CG 7.3843 33.0307 8.1055 C.3 47 LEU47 -0.0449 729 CD1 7.9172 34.4047 7.6718 C.3 47 LEU47 -0.0626 730 CD2 6.0711 32.7319 7.3708 C.3 47 LEU47 -0.0626 731 H 9.0510 31.6960 10.2940 H 47 LEU47 0.1312 732 HA 7.1337 30.3695 8.6820 H 47 LEU47 0.0557 733 HB1 8.4450 31.7337 6.7754 H 47 LEU47 0.0287 734 HB2 9.4212 32.3078 8.0884 H 47 LEU47 0.0287 735 HG 7.1811 33.0727 9.1762 H 47 LEU47 0.0296 736 HD11 7.1924 35.1924 7.8793 H 47 LEU47 0.0232 737 HD12 8.1361 34.4275 6.6034 H 47 LEU47 0.0232 738 HD13 8.8359 34.6549 8.1998 H 47 LEU47 0.0232 739 HD21 5.2858 33.4251 7.6745 H 47 LEU47 0.0232 740 HD22 5.7251 31.7188 7.5676 H 47 LEU47 0.0232 741 HD23 6.1964 32.8296 6.2926 H 47 LEU47 0.0232 742 N 10.2460 29.4790 8.0690 N.am 48 GLU48 -0.2456 743 CA 11.0410 28.4360 7.4440 C.3 48 GLU48 0.0883 744 C 10.7150 27.0500 8.0120 C.2 48 GLU48 0.2187 745 O 10.6880 26.0620 7.2760 O.2 48 GLU48 -0.2778 746 CB 12.5256 28.7805 7.6006 C.3 48 GLU48 -0.0193 747 CG 13.4211 27.9135 6.6988 C.3 48 GLU48 0.0356 748 CD 14.8989 28.3053 6.8090 C.2 48 GLU48 0.1760 749 OE1 15.3372 28.7369 7.8650 O.co2 48 GLU48 -0.6478 750 OE2 15.6426 28.1788 5.8436 O.co2 48 GLU48 -0.6478 751 H 10.7080 30.2170 8.6000 H 48 GLU48 0.1312 752 HA 10.7771 28.4389 6.3859 H 48 GLU48 0.0557 753 HB1 12.8230 28.6833 8.6463 H 48 GLU48 0.0290 754 HB2 12.6764 29.8304 7.3454 H 48 GLU48 0.0290 755 HG1 13.1153 28.0081 5.6573 H 48 GLU48 0.0374 756 HG2 13.3366 26.8616 6.9672 H 48 GLU48 0.0374 757 N 10.4520 26.9710 9.3140 N.am 49 VAL49 -0.2454 758 CA 10.0840 25.6770 9.9100 C.3 49 VAL49 0.0901 759 C 8.7400 25.2040 9.3580 C.2 49 VAL49 0.2189 760 O 8.5840 24.0370 9.0130 O.2 49 VAL49 -0.2778 761 CB 10.1139 25.7508 11.4526 C.3 49 VAL49 -0.0227 762 CG1 9.5500 24.4802 12.1127 C.3 49 VAL49 -0.0608 763 CG2 11.5458 25.9776 11.9644 C.3 49 VAL49 -0.0608 764 H 10.5050 27.8060 9.8980 H 49 VAL49 0.1312 765 HA 10.8343 24.9553 9.5809 H 49 VAL49 0.0560 766 HB 9.5003 26.5969 11.7653 H 49 VAL49 0.0315 767 HG11 9.5834 24.5546 13.1996 H 49 VAL49 0.0233 768 HG12 10.1237 23.6027 11.8199 H 49 VAL49 0.0233 769 HG13 8.5166 24.2938 11.8289 H 49 VAL49 0.0233 770 HG21 11.5639 26.0689 13.0497 H 49 VAL49 0.0233 771 HG22 11.9955 26.8770 11.5505 H 49 VAL49 0.0233 772 HG23 12.1947 25.1438 11.6965 H 49 VAL49 0.0233 773 N 7.7770 26.1160 9.2550 N.am 50 CYS50 -0.2449 774 CA 6.4910 25.7970 8.6340 C.3 50 CYS50 0.0965 775 C 6.6420 25.2640 7.1990 C.2 50 CYS50 0.2195 776 O 6.0100 24.2600 6.8200 O.2 50 CYS50 -0.2778 777 CB 5.5650 27.0237 8.6636 C.3 50 CYS50 0.0147 778 SG 5.1580 27.5941 10.3382 S.3 50 CYS50 -0.1762 779 H 7.9380 27.0560 9.6160 H 50 CYS50 0.1312 780 HA 6.0507 24.9984 9.2329 H 50 CYS50 0.0565 781 HB1 4.6289 26.7846 8.1567 H 50 CYS50 0.0394 782 HB2 6.0101 27.8522 8.1116 H 50 CYS50 0.0394 783 HG 6.1122 28.4325 10.7526 H 50 CYS50 0.1017 784 N 7.4810 25.9340 6.4110 N.am 51 PHE51 -0.2453 785 CA 7.7340 25.5100 5.0370 C.3 51 PHE51 0.0917 786 C 8.3990 24.1340 4.9710 C.2 51 PHE51 0.2190 787 O 8.0080 23.2890 4.1660 O.2 51 PHE51 -0.2778 788 CB 8.5286 26.6002 4.2920 C.3 51 PHE51 -0.0036 789 CG 7.8564 27.9593 4.2894 C.ar 51 PHE51 -0.0454 790 CD1 6.4667 28.0984 4.2713 C.ar 51 PHE51 -0.0585 791 CD2 8.6336 29.1162 4.3030 C.ar 51 PHE51 -0.0585 792 CE1 5.8725 29.3527 4.3050 C.ar 51 PHE51 -0.0615 793 CE2 8.0399 30.3725 4.3345 C.ar 51 PHE51 -0.0615 794 CZ 6.6596 30.4915 4.3413 C.ar 51 PHE51 -0.0617 795 H 7.9560 26.7600 6.7750 H 51 PHE51 0.1312 796 HA 6.7598 25.3760 4.5670 H 51 PHE51 0.0560 797 HB1 8.6929 26.3018 3.2563 H 51 PHE51 0.0333 798 HB2 9.5144 26.7000 4.7496 H 51 PHE51 0.0333 799 HD1 5.8204 27.2366 4.2511 H 51 PHE51 0.0620 800 HD2 9.7114 29.0441 4.3169 H 51 PHE51 0.0620 801 HE1 4.7964 29.4449 4.3100 H 51 PHE51 0.0618 802 HE2 8.6462 31.2644 4.3774 H 51 PHE51 0.0618 803 HZ 6.1992 31.4671 4.3790 H 51 PHE51 0.0618 804 N 9.4040 23.9160 5.8150 N.am 52 MET52 -0.2456 805 CA 10.1030 22.6300 5.8570 C.3 52 MET52 0.0885 806 C 9.1570 21.5030 6.2690 C.2 52 MET52 0.2187 807 O 9.2070 20.3930 5.7330 O.2 52 MET52 -0.2778 808 CB 11.2845 22.7435 6.8315 C.3 52 MET52 -0.0199 809 CG 12.4117 23.6328 6.2865 C.3 52 MET52 -0.0047 810 SD 13.6956 23.9159 7.5192 S.3 52 MET52 -0.1641 811 CE 14.4868 22.3047 7.4708 C.3 52 MET52 -0.0181 812 H 9.6940 24.6620 6.4470 H 52 MET52 0.1312 813 HA 10.4586 22.4212 4.8475 H 52 MET52 0.0557 814 HB1 11.6873 21.7525 7.0415 H 52 MET52 0.0293 815 HB2 10.9326 23.1419 7.7847 H 52 MET52 0.0293 816 HG1 12.0432 24.5988 5.9436 H 52 MET52 0.0377 817 HG2 12.8602 23.1636 5.4115 H 52 MET52 0.0377 818 HE1 15.3952 22.3045 8.0705 H 52 MET52 0.0340 819 HE2 14.7449 22.0400 6.4463 H 52 MET52 0.0340 820 HE3 13.7983 21.5556 7.8556 H 52 MET52 0.0340 821 N 8.2870 21.8100 7.2240 N.am 53 TYR53 -0.2453 822 CA 7.3260 20.8520 7.7420 C.3 53 TYR53 0.0917 823 C 6.4210 20.4390 6.5940 C.2 53 TYR53 0.2191 824 O 6.2070 19.2500 6.3560 O.2 53 TYR53 -0.2778 825 CB 6.5579 21.4994 8.9098 C.3 53 TYR53 -0.0036 826 CG 5.8855 20.5108 9.8311 C.ar 53 TYR53 -0.0453 827 CD1 4.6549 19.9463 9.5056 C.ar 53 TYR53 -0.0561 828 CD2 6.4606 20.1985 11.0617 C.ar 53 TYR53 -0.0561 829 CE1 3.9943 19.1209 10.4092 C.ar 53 TYR53 -0.0317 830 CE2 5.8046 19.3688 11.9637 C.ar 53 TYR53 -0.0317 831 CZ 4.5617 18.8433 11.6445 C.ar 53 TYR53 0.0726 832 OH 3.8814 18.0649 12.5593 O.3 53 TYR53 -0.3598 833 H 8.2940 22.7550 7.6090 H 53 TYR53 0.1312 834 HA 7.8906 19.9826 8.0822 H 53 TYR53 0.0560 835 HB1 5.8254 22.2197 8.5450 H 53 TYR53 0.0333 836 HB2 7.2565 22.0775 9.5132 H 53 TYR53 0.0333 837 HD1 4.1936 20.1645 8.5534 H 53 TYR53 0.0621 838 HD2 7.4138 20.6256 11.3368 H 53 TYR53 0.0621 839 HE1 3.0282 18.7069 10.1625 H 53 TYR53 0.0643 840 HE2 6.2466 19.1521 12.9252 H 53 TYR53 0.0643 841 HH 4.4265 17.9146 13.3237 H 53 TYR53 0.2173 842 N 5.9000 21.4220 5.8680 N.am 54 SER54 -0.2436 843 CA 5.0320 21.1190 4.7290 C.3 54 SER54 0.1109 844 C 5.7630 20.3200 3.6380 C.2 54 SER54 0.2209 845 O 5.2250 19.3620 3.0780 O.2 54 SER54 -0.2777 846 CB 4.4191 22.3936 4.1421 C.3 54 SER54 0.0681 847 OG 3.5412 22.0059 3.0930 O.3 54 SER54 -0.3930 848 H 6.1060 22.3920 6.1060 H 54 SER54 0.1312 849 HA 4.2267 20.4990 5.1160 H 54 SER54 0.0580 850 HB1 5.2029 23.0563 3.7605 H 54 SER54 0.0577 851 HB2 3.8718 22.9273 4.9271 H 54 SER54 0.0577 852 HG 3.0658 22.7464 2.7305 H 54 SER54 0.2095 853 N 6.9970 20.7160 3.3560 N.am 55 ASP55 -0.2451 854 CA 7.8180 20.0750 2.3340 C.3 55 ASP55 0.0974 855 C 8.2680 18.6640 2.7150 C.2 55 ASP55 0.2192 856 O 8.7660 17.9200 1.8750 O.2 55 ASP55 -0.2778 857 CB 9.0640 20.9795 2.2021 C.3 55 ASP55 0.0576 858 CG 10.0172 20.5225 1.0887 C.2 55 ASP55 0.1780 859 OD1 9.9564 21.0525 -0.0059 O.co2 55 ASP55 -0.6478 860 OD2 10.8185 19.6133 1.2841 O.co2 55 ASP55 -0.6478 861 H 7.3890 21.5020 3.8750 H 55 ASP55 0.1312 862 HA 7.2406 20.0466 1.4094 H 55 ASP55 0.0563 863 HB1 9.6167 21.0139 3.1403 H 55 ASP55 0.0394 864 HB2 8.7579 22.0038 1.9873 H 55 ASP55 0.0394 865 N 8.1040 18.3000 3.9800 N.am 56 ALA56 -0.2459 866 CA 8.4160 16.9460 4.4080 C.3 56 ALA56 0.0850 867 C 7.4600 15.9330 3.7730 C.2 56 ALA56 0.2185 868 O 7.7940 14.7590 3.6320 O.2 56 ALA56 -0.2778 869 CB 8.3005 16.8701 5.9336 C.3 56 ALA56 -0.0411 870 H 7.7560 18.9760 4.6590 H 56 ALA56 0.1312 871 HA 9.4348 16.7141 4.0940 H 56 ALA56 0.0554 872 HB1 8.5523 15.8749 6.2973 H 56 ALA56 0.0249 873 HB2 7.2864 17.0835 6.2688 H 56 ALA56 0.0249 874 HB3 8.9695 17.5835 6.4148 H 56 ALA56 0.0249 875 N 6.2690 16.3940 3.4020 N.am 57 SER57 -0.2436 876 CA 5.3020 15.5680 2.6900 C.3 57 SER57 0.1109 877 C 4.4330 16.4230 1.7660 C.2 57 SER57 0.2209 878 O 3.3590 16.8770 2.1560 O.2 57 SER57 -0.2777 879 CB 4.4515 14.8247 3.7382 C.3 57 SER57 0.0681 880 OG 3.4090 14.0147 3.2172 O.3 57 SER57 -0.3930 881 H 6.0240 17.3590 3.6230 H 57 SER57 0.1312 882 HA 5.8541 14.8584 2.0707 H 57 SER57 0.0580 883 HB1 3.9868 15.5623 4.3903 H 57 SER57 0.0577 884 HB2 5.0940 14.2196 4.3869 H 57 SER57 0.0577 885 HG 3.7626 13.4166 2.5655 H 57 SER57 0.2095 886 N 4.9060 16.6440 0.5430 N.am 58 LYS58 -0.2456 887 CA 4.1950 17.4820 -0.4180 C.3 58 LYS58 0.0878 888 C 2.8210 16.8970 -0.7140 C.2 58 LYS58 0.2187 889 O 2.6510 15.6810 -0.6860 O.2 58 LYS58 -0.2778 890 CB 5.1010 17.6428 -1.6593 C.3 58 LYS58 -0.0289 891 CG 6.5873 17.8411 -1.2739 C.3 58 LYS58 -0.0496 892 CD 7.5137 18.2424 -2.4287 C.3 58 LYS58 -0.0278 893 CE 9.0023 18.0817 -2.0630 C.3 58 LYS58 0.1103 894 NZ 9.3574 18.7374 -0.8073 N.4 58 LYS58 -0.0749 895 H 5.7900 16.2160 0.2690 H 58 LYS58 0.1312 896 HA 4.0639 18.4505 0.0702 H 58 LYS58 0.0557 897 HB1 4.7498 18.4875 -2.2531 H 58 LYS58 0.0285 898 HB2 5.0204 16.7620 -2.2981 H 58 LYS58 0.0285 899 HG1 6.9803 16.9134 -0.8576 H 58 LYS58 0.0266 900 HG2 6.6600 18.5894 -0.4831 H 58 LYS58 0.0266 901 HD1 7.3064 19.2740 -2.7167 H 58 LYS58 0.0282 902 HD2 7.2965 17.6300 -3.3049 H 58 LYS58 0.0282 903 HE1 9.6298 18.5015 -2.8516 H 58 LYS58 0.0559 904 HE2 9.2613 17.0254 -1.9704 H 58 LYS58 0.0559 905 HZ1 10.3810 18.7395 -0.6125 H 58 LYS58 0.2742 906 HZ2 8.8888 18.3094 0.0158 H 58 LYS58 0.2742 907 HZ3 9.1120 19.7512 -0.8310 H 58 LYS58 0.2742 908 N 1.8510 17.7740 -0.9630 N.am 59 HIS59 -0.2453 909 CA 0.4610 17.3940 -1.2570 C.3 59 HIS59 0.0932 910 C -0.3260 16.9670 -0.0150 C.2 59 HIS59 0.2190 911 O -1.5290 16.7380 -0.0890 O.2 59 HIS59 -0.2778 912 CB 0.3950 16.3396 -2.3823 C.3 59 HIS59 0.0146 913 CG -0.9318 16.4084 -3.1041 C.ar 59 HIS59 0.0551 914 ND1 -1.1999 17.2919 -4.0886 N.ar 59 HIS59 -0.2469 915 CD2 -2.0698 15.6100 -2.9045 C.ar 59 HIS59 0.0047 916 CE1 -2.4660 17.0492 -4.4676 C.ar 59 HIS59 0.0737 917 NE2 -3.0151 16.0345 -3.7746 N.ar 59 HIS59 -0.2539 918 H 2.0850 18.7670 -0.9490 H 59 HIS59 0.1312 919 HA 0.0049 18.3194 -1.6106 H 59 HIS59 0.0561 920 HB1 0.5524 15.3302 -2.0017 H 59 HIS59 0.0348 921 HB2 1.1795 16.5280 -3.1152 H 59 HIS59 0.0348 922 HD2 -2.1685 14.8170 -2.1778 H 59 HIS59 0.0764 923 HE1 -2.9788 17.6077 -5.2379 H 59 HIS59 0.0963 924 HE2 -3.9238 15.6821 -3.8732 H 59 HIS59 0.1339 925 N 0.3510 16.8690 1.1270 N.am 60 ARG60 -0.2456 926 CA -0.3220 16.4950 2.3690 C.3 60 ARG60 0.0879 927 C -0.8120 17.6990 3.1860 C.2 60 ARG60 0.2187 928 O -1.8660 17.6440 3.8200 O.2 60 ARG60 -0.2778 929 CB 0.6725 15.6877 3.2262 C.3 60 ARG60 -0.0258 930 CG 0.1238 15.2322 4.5856 C.3 60 ARG60 -0.0154 931 CD 1.1663 14.5028 5.4410 C.3 60 ARG60 0.1045 932 NE 0.6410 14.4670 6.7937 N.pl3 60 ARG60 -0.4450 933 CZ 1.0114 13.7186 7.8129 C.cat 60 ARG60 0.5062 934 NH1 2.0350 12.9111 7.7625 N.pl3 60 ARG60 -0.4573 935 NH2 0.3066 13.8028 8.8911 N.pl3 60 ARG60 -0.4573 936 H 1.3540 17.0580 1.1350 H 60 ARG60 0.1312 937 HA -1.1859 15.8706 2.1329 H 60 ARG60 0.0557 938 HB1 1.5478 16.2999 3.4259 H 60 ARG60 0.0286 939 HB2 1.0189 14.8238 2.6588 H 60 ARG60 0.0286 940 HG1 -0.7551 14.6026 4.4480 H 60 ARG60 0.0299 941 HG2 -0.2142 16.1028 5.1495 H 60 ARG60 0.0299 942 HD1 2.1121 15.0419 5.4723 H 60 ARG60 0.0711 943 HD2 1.3432 13.4863 5.0840 H 60 ARG60 0.0711 944 HE -0.1219 15.0672 7.0540 H 60 ARG60 0.3153 945 HH11 2.2603 12.3706 8.5707 H 60 ARG60 0.3114 946 HH12 2.5780 12.8508 6.9319 H 60 ARG60 0.3114 947 HH21 0.3770 13.1381 9.6348 H 60 ARG60 0.3114 948 HH22 -0.3670 14.5561 8.9726 H 60 ARG60 0.3114 949 N -0.0390 18.7800 3.1860 N.am 61 PHE61 -0.2453 950 CA -0.3530 19.9260 4.0390 C.3 61 PHE61 0.0917 951 C -0.7510 21.1630 3.2460 C.2 61 PHE61 0.2190 952 O -0.1390 21.4700 2.2290 O.2 61 PHE61 -0.2778 953 CB 0.8854 20.3003 4.8718 C.3 61 PHE61 -0.0036 954 CG 1.3584 19.1924 5.7745 C.ar 61 PHE61 -0.0454 955 CD1 0.7003 18.9285 6.9713 C.ar 61 PHE61 -0.0585 956 CD2 2.4995 18.4617 5.4573 C.ar 61 PHE61 -0.0585 957 CE1 1.1788 17.9549 7.8381 C.ar 61 PHE61 -0.0615 958 CE2 3.0080 17.5265 6.3465 C.ar 61 PHE61 -0.0615 959 CZ 2.3438 17.2663 7.5360 C.ar 61 PHE61 -0.0617 960 H 0.7840 18.8110 2.5840 H 61 PHE61 0.1312 961 HA -1.1624 19.6475 4.6998 H 61 PHE61 0.0560 962 HB1 0.6702 21.1708 5.4947 H 61 PHE61 0.0333 963 HB2 1.7044 20.5938 4.2137 H 61 PHE61 0.0333 964 HD1 -0.1863 19.4872 7.2346 H 61 PHE61 0.0620 965 HD2 3.0205 18.6464 4.5284 H 61 PHE61 0.0620 966 HE1 0.6529 17.7413 8.7565 H 61 PHE61 0.0618 967 HE2 3.9218 17.0035 6.1091 H 61 PHE61 0.0618 968 HZ 2.7277 16.5284 8.2250 H 61 PHE61 0.0618 969 N -1.7730 21.8730 3.7220 N.am 62 GLU62 -0.2456 970 CA -2.0630 23.2100 3.2260 C.3 62 GLU62 0.0883 971 C -1.3720 24.2030 4.1460 C.2 62 GLU62 0.2187 972 O -1.4820 24.1030 5.3570 O.2 62 GLU62 -0.2778 973 CB -3.5684 23.4867 3.0661 C.3 62 GLU62 -0.0193 974 CG -3.9786 24.9640 2.8469 C.3 62 GLU62 0.0356 975 CD -3.4016 25.6890 1.6100 C.2 62 GLU62 0.1760 976 OE1 -4.1040 26.4997 1.0154 O.co2 62 GLU62 -0.6478 977 OE2 -2.2568 25.4770 1.2326 O.co2 62 GLU62 -0.6478 978 H -2.3650 21.4710 4.4490 H 62 GLU62 0.1312 979 HA -1.6099 23.3118 2.2379 H 62 GLU62 0.0557 980 HB1 -4.0917 23.1150 3.9442 H 62 GLU62 0.0290 981 HB2 -3.9406 22.9052 2.2267 H 62 GLU62 0.0290 982 HG1 -3.7318 25.5626 3.7220 H 62 GLU62 0.0374 983 HG2 -5.0604 24.9983 2.7417 H 62 GLU62 0.0374 984 N -0.6650 25.1610 3.5730 N.am 63 ILE63 -0.2454 985 CA 0.0080 26.1760 4.3650 C.3 63 ILE63 0.0903 986 C -0.9230 27.3550 4.6630 C.2 63 ILE63 0.2189 987 O -1.5650 27.8980 3.7630 O.2 63 ILE63 -0.2778 988 CB 1.2768 26.6755 3.6348 C.3 63 ILE63 -0.0201 989 CG1 2.1863 25.5051 3.2120 C.3 63 ILE63 -0.0514 990 CG2 2.0555 27.6860 4.5008 C.3 63 ILE63 -0.0605 991 CD1 3.4035 25.9386 2.3840 C.3 63 ILE63 -0.0650 992 H -0.5900 25.1880 2.5560 H 63 ILE63 0.1312 993 HA 0.3033 25.7188 5.3076 H 63 ILE63 0.0560 994 HB 0.9587 27.1849 2.7236 H 63 ILE63 0.0318 995 HG11 1.6128 24.8045 2.6059 H 63 ILE63 0.0266 996 HG12 2.5154 24.9596 4.0972 H 63 ILE63 0.0266 997 HG21 2.9085 28.0992 3.9659 H 63 ILE63 0.0233 998 HG22 2.4251 27.2200 5.4146 H 63 ILE63 0.0233 999 HG23 1.4363 28.5343 4.7888 H 63 ILE63 0.0233 1000 HD11 3.9657 25.0769 2.0258 H 63 ILE63 0.0230 1001 HD12 4.0907 26.5474 2.9678 H 63 ILE63 0.0230 1002 HD13 3.0972 26.5172 1.5124 H 63 ILE63 0.0230 1003 N -1.0000 27.7310 5.9340 N.am 64 ILE64 -0.2454 1004 CA -1.8180 28.8620 6.3760 C.3 64 ILE64 0.0903 1005 C -0.9050 30.0500 6.7190 C.2 64 ILE64 0.2189 1006 O -1.1280 31.1710 6.2590 O.2 64 ILE64 -0.2778 1007 CB -2.6742 28.4459 7.5983 C.3 64 ILE64 -0.0201 1008 CG1 -3.4225 27.1125 7.3875 C.3 64 ILE64 -0.0514 1009 CG2 -3.6421 29.5603 8.0345 C.3 64 ILE64 -0.0605 1010 CD1 -4.4105 27.1249 6.2161 C.3 64 ILE64 -0.0650 1011 H -0.4670 27.2110 6.6310 H 64 ILE64 0.1312 1012 HA -2.4725 29.1715 5.5593 H 64 ILE64 0.0560 1013 HB -1.9991 28.2764 8.4365 H 64 ILE64 0.0318 1014 HG11 -3.9616 26.8548 8.2989 H 64 ILE64 0.0266 1015 HG12 -2.7093 26.3019 7.2384 H 64 ILE64 0.0266 1016 HG21 -4.2508 29.2399 8.8799 H 64 ILE64 0.0233 1017 HG22 -4.3162 29.8446 7.2260 H 64 ILE64 0.0233 1018 HG23 -3.1041 30.4560 8.3451 H 64 ILE64 0.0233 1019 HD11 -4.8927 26.1530 6.1127 H 64 ILE64 0.0230 1020 HD12 -3.9077 27.3410 5.2740 H 64 ILE64 0.0230 1021 HD13 -5.1939 27.8685 6.3603 H 64 ILE64 0.0230 1022 N 0.1340 29.7870 7.5080 N.am 65 GLU65 -0.2456 1023 CA 1.1170 30.8110 7.8870 C.3 65 GLU65 0.0883 1024 C 1.7350 31.4870 6.6740 C.2 65 GLU65 0.2185 1025 O 1.9540 30.8580 5.6450 O.2 65 GLU65 -0.2778 1026 CB 2.2370 30.1970 8.7330 C.3 65 GLU65 -0.0193 1027 CG 3.2170 31.2160 9.3520 C.3 65 GLU65 0.0356 1028 CD 2.5100 32.2010 10.2650 C.2 65 GLU65 0.1760 1029 OE1 2.1550 33.2930 9.7590 O.co2 65 GLU65 -0.6478 1030 OE2 2.2800 31.8710 11.4690 O.co2 65 GLU65 -0.6478 1031 H 0.2530 28.8380 7.8630 H 65 GLU65 0.1312 1032 HA 0.6000 31.5870 8.4980 H 65 GLU65 0.0557 1033 HB1 2.7960 29.4360 8.1400 H 65 GLU65 0.0290 1034 HB2 1.7500 29.6580 9.5780 H 65 GLU65 0.0290 1035 HG1 3.8040 31.7440 8.5640 H 65 GLU65 0.0374 1036 HG2 3.9410 30.6430 9.9780 H 65 GLU65 0.0374 1037 N 2.0280 32.7740 6.8010 N.am 66 GLY66 -0.2485 1038 CA 2.7030 33.4840 5.7350 C.3 66 GLY66 0.0765 1039 C 1.7450 34.1980 4.7970 C.2 66 GLY66 0.2155 1040 O 2.1530 35.0600 4.0340 O.2 66 GLY66 -0.2781 1041 H 1.7760 33.2680 7.6570 H 66 GLY66 0.1309 1042 HA1 3.3504 32.8092 5.1728 H 66 GLY66 0.0521 1043 HA2 3.3343 34.2315 6.2157 H 66 GLY66 0.0521 1044 N 0.4700 33.8340 4.8420 N.am 67 ARG67 -0.2459 1045 CA -0.5420 34.5490 4.0720 C.3 67 ARG67 0.0879 1046 C -0.9800 35.7670 4.8730 C.2 67 ARG67 0.2187 1047 O -0.8480 35.7870 6.0990 O.2 67 ARG67 -0.2778 1048 CB -1.6949 33.5859 3.7279 C.3 67 ARG67 -0.0258 1049 CG -1.1791 32.3569 2.9507 C.3 67 ARG67 -0.0154 1050 CD -2.2743 31.4246 2.4164 C.3 67 ARG67 0.1045 1051 NE -1.6395 30.2534 1.8019 N.pl3 67 ARG67 -0.4450 1052 CZ -2.2985 29.1759 1.3763 C.cat 67 ARG67 0.5062 1053 NH1 -3.5915 29.1245 1.3874 N.pl3 67 ARG67 -0.4573 1054 NH2 -1.6585 28.1290 0.9455 N.pl3 67 ARG67 -0.4573 1055 H 0.1930 33.0430 5.4230 H 67 ARG67 0.1312 1056 HA -0.0874 34.9042 3.1450 H 67 ARG67 0.0557 1057 HB1 -2.4421 34.1145 3.1333 H 67 ARG67 0.0286 1058 HB2 -2.1980 33.2615 4.6401 H 67 ARG67 0.0286 1059 HG1 -0.5181 31.7756 3.5953 H 67 ARG67 0.0299 1060 HG2 -0.5679 32.6942 2.1129 H 67 ARG67 0.0299 1061 HD1 -2.8921 31.9229 1.6658 H 67 ARG67 0.0711 1062 HD2 -2.9133 31.0797 3.2339 H 67 ARG67 0.0711 1063 HE -0.6494 30.2035 1.7072 H 67 ARG67 0.3153 1064 HH11 -4.0035 28.2427 1.1271 H 67 ARG67 0.3114 1065 HH12 -4.1483 29.8995 1.6472 H 67 ARG67 0.3114 1066 HH21 -2.2027 27.2899 0.7677 H 67 ARG67 0.3114 1067 HH22 -0.6785 28.0997 0.8134 H 67 ARG67 0.3114 1068 N -1.5090 36.7830 4.1980 N.am 68 ASP68 -0.2451 1069 CA -2.1040 37.8960 4.9220 C.3 68 ASP68 0.0974 1070 C -3.3140 37.3730 5.6940 C.2 68 ASP68 0.2192 1071 O -3.9000 36.3560 5.3320 O.2 68 ASP68 -0.2778 1072 CB -2.5363 38.9690 3.9033 C.3 68 ASP68 0.0576 1073 CG -3.4486 38.3999 2.7957 C.2 68 ASP68 0.1780 1074 OD1 -4.6626 38.5735 2.8848 O.co2 68 ASP68 -0.6478 1075 OD2 -2.9350 37.7882 1.8561 O.co2 68 ASP68 -0.6478 1076 H -1.4980 36.7820 3.1780 H 68 ASP68 0.1312 1077 HA -1.3625 38.2908 5.6181 H 68 ASP68 0.0563 1078 HB1 -1.6581 39.3953 3.4214 H 68 ASP68 0.0394 1079 HB2 -3.0517 39.7919 4.3985 H 68 ASP68 0.0394 1080 N -3.6730 38.0680 6.7660 N.am 69 ARG69 -0.2456 1081 CA -4.6440 37.5630 7.7350 C.3 69 ARG69 0.0879 1082 C -6.0100 37.2030 7.1350 C.2 69 ARG69 0.2187 1083 O -6.5960 36.1540 7.4550 O.2 69 ARG69 -0.2778 1084 CB -4.7125 38.8637 8.5762 C.3 69 ARG69 -0.0258 1085 CG -5.2828 38.9180 9.9925 C.3 69 ARG69 -0.0154 1086 CD -5.2651 40.4079 10.4145 C.3 69 ARG69 0.1045 1087 NE -5.0049 40.6050 11.8458 N.pl3 69 ARG69 -0.4450 1088 CZ -4.1167 41.4864 12.3259 C.cat 69 ARG69 0.5062 1089 NH1 -4.0581 41.6912 13.6114 N.pl3 69 ARG69 -0.4573 1090 NH2 -3.2950 42.1617 11.5802 N.pl3 69 ARG69 -0.4573 1091 H -3.2570 38.9870 6.9190 H 69 ARG69 0.1312 1092 HA -4.1990 36.7199 8.2635 H 69 ARG69 0.0557 1093 HB1 -5.2003 39.6366 7.9775 H 69 ARG69 0.0286 1094 HB2 -3.6893 39.2270 8.7050 H 69 ARG69 0.0286 1095 HG1 -4.6578 38.3203 10.6564 H 69 ARG69 0.0299 1096 HG2 -6.2931 38.5107 10.0316 H 69 ARG69 0.0299 1097 HD1 -6.2199 40.8839 10.1847 H 69 ARG69 0.0711 1098 HD2 -4.5243 40.9576 9.8319 H 69 ARG69 0.0711 1099 HE -5.5171 40.0656 12.5035 H 69 ARG69 0.3153 1100 HH11 -3.3761 42.3360 13.9454 H 69 ARG69 0.3114 1101 HH12 -4.6725 41.2138 14.2270 H 69 ARG69 0.3114 1102 HH21 -2.6723 42.8588 11.9123 H 69 ARG69 0.3114 1103 HH22 -3.2407 41.9887 10.5815 H 69 ARG69 0.3114 1104 N -6.5120 38.0800 6.2690 N.am 70 THR70 -0.2434 1105 CA -7.8130 37.8870 5.6350 C.3 70 THR70 0.1135 1106 C -7.7940 36.6410 4.7560 C.2 70 THR70 0.2212 1107 O -8.6740 35.7860 4.8370 O.2 70 THR70 -0.2777 1108 CB -8.1304 39.1483 4.8105 C.3 70 THR70 0.0763 1109 OG1 -8.2440 40.2290 5.7271 O.3 70 THR70 -0.3900 1110 CG2 -9.4345 39.0308 4.0017 C.3 70 THR70 -0.0370 1111 H -5.9700 38.9140 6.0410 H 70 THR70 0.1313 1112 HA -8.5502 37.7502 6.4257 H 70 THR70 0.0583 1113 HB -7.2869 39.3169 4.1249 H 70 THR70 0.0611 1114 HG1 -8.2741 41.0599 5.2620 H 70 THR70 0.2098 1115 HG21 -9.6408 39.9409 3.4386 H 70 THR70 0.0255 1116 HG22 -10.2837 38.8427 4.6584 H 70 THR70 0.0255 1117 HG23 -9.3835 38.2170 3.2785 H 70 THR70 0.0255 1118 N -6.7670 36.5370 3.9290 N.am 71 MET71 -0.2456 1119 CA -6.5850 35.3490 3.1070 C.3 71 MET71 0.0886 1120 C -6.4030 34.0790 3.9520 C.2 71 MET71 0.2187 1121 O -6.9200 33.0120 3.6120 O.2 71 MET71 -0.2778 1122 CB -5.3517 35.5672 2.2176 C.3 71 MET71 -0.0199 1123 CG -5.0351 34.3988 1.2726 C.3 71 MET71 -0.0047 1124 SD -6.4453 33.9337 0.2451 S.3 71 MET71 -0.1641 1125 CE -6.6974 35.5047 -0.6028 C.3 71 MET71 -0.0181 1126 H -6.0930 37.3000 3.8660 H 71 MET71 0.1312 1127 HA -7.4802 35.2448 2.4947 H 71 MET71 0.0557 1128 HB1 -4.4796 35.7614 2.8433 H 71 MET71 0.0293 1129 HB2 -5.4948 36.4748 1.6315 H 71 MET71 0.0293 1130 HG1 -4.7041 33.5271 1.8361 H 71 MET71 0.0377 1131 HG2 -4.2085 34.6934 0.6254 H 71 MET71 0.0377 1132 HE1 -7.2281 35.3467 -1.5411 H 71 MET71 0.0340 1133 HE2 -5.7373 35.9646 -0.8394 H 71 MET71 0.0340 1134 HE3 -7.2621 36.1935 0.0260 H 71 MET71 0.0340 1135 N -5.6880 34.2030 5.0650 N.am 72 ALA72 -0.2459 1136 CA -5.4560 33.0630 5.9400 C.3 72 ALA72 0.0850 1137 C -6.7800 32.5320 6.4750 C.2 72 ALA72 0.2184 1138 O -7.0390 31.3220 6.4470 O.2 72 ALA72 -0.2778 1139 CB -4.5100 33.4777 7.0737 C.3 72 ALA72 -0.0411 1140 H -5.2950 35.1120 5.3100 H 72 ALA72 0.1312 1141 HA -4.9901 32.2855 5.3325 H 72 ALA72 0.0554 1142 HB1 -4.2507 32.6268 7.7032 H 72 ALA72 0.0249 1143 HB2 -4.9514 34.2448 7.7096 H 72 ALA72 0.0249 1144 HB3 -3.5815 33.8837 6.6701 H 72 ALA72 0.0249 1145 N -7.6360 33.4410 6.9360 N.am 73 TRP73 -0.2453 1146 CA -8.9580 33.0370 7.4090 C.3 73 TRP73 0.0918 1147 C -9.8550 32.5210 6.2890 C.2 73 TRP73 0.2191 1148 O -10.6480 31.6050 6.4930 O.2 73 TRP73 -0.2778 1149 CB -9.6524 34.1956 8.1443 C.3 73 TRP73 -0.0021 1150 CG -9.2038 34.2772 9.5899 C.ar 73 TRP73 -0.0260 1151 CD1 -8.5779 35.3748 10.1864 C.ar 73 TRP73 -0.0136 1152 CD2 -9.3627 33.2811 10.6275 C.ar 73 TRP73 -0.0028 1153 NE1 -8.3840 35.1164 11.5032 N.ar 73 TRP73 -0.2641 1154 CE2 -8.8430 33.8440 11.8170 C.ar 73 TRP73 0.0269 1155 CE3 -9.8683 32.0060 10.6431 C.ar 73 TRP73 -0.0528 1156 CZ2 -8.8451 33.1198 12.9793 C.ar 73 TRP73 -0.0430 1157 CZ3 -9.8466 31.2563 11.8213 C.ar 73 TRP73 -0.0611 1158 CH2 -9.3372 31.8155 12.9920 C.ar 73 TRP73 -0.0602 1159 H -7.3670 34.4250 6.9590 H 73 TRP73 0.1312 1160 HA -8.7964 32.1973 8.0835 H 73 TRP73 0.0560 1161 HB1 -10.7356 34.0676 8.1509 H 73 TRP73 0.0334 1162 HB2 -9.4529 35.1407 7.6357 H 73 TRP73 0.0334 1163 HD1 -8.3036 36.2868 9.6734 H 73 TRP73 0.0748 1164 HE1 -7.9623 35.7317 12.1387 H 73 TRP73 0.1331 1165 HE3 -10.2503 31.5660 9.7338 H 73 TRP73 0.0624 1166 HZ2 -8.4391 33.5498 13.8832 H 73 TRP73 0.0633 1167 HZ3 -10.2120 30.2396 11.8342 H 73 TRP73 0.0618 1168 HH2 -9.3112 31.2380 13.9057 H 73 TRP73 0.0618 1169 N -9.7260 33.1030 5.1040 N.am 74 THR74 -0.2434 1170 CA -10.4640 32.6090 3.9490 C.3 74 THR74 0.1135 1171 C -10.1170 31.1460 3.6650 C.2 74 THR74 0.2212 1172 O -10.9980 30.3040 3.4500 O.2 74 THR74 -0.2777 1173 CB -10.1873 33.5225 2.7408 C.3 74 THR74 0.0763 1174 OG1 -10.7160 34.7976 3.0706 O.3 74 THR74 -0.3900 1175 CG2 -10.8399 33.0268 1.4389 C.3 74 THR74 -0.0370 1176 H -9.1040 33.9050 5.0000 H 74 THR74 0.1313 1177 HA -11.5233 32.6599 4.2017 H 74 THR74 0.0583 1178 HB -9.1019 33.5838 2.6010 H 74 THR74 0.0611 1179 HG1 -10.4387 35.4562 2.4394 H 74 THR74 0.2098 1180 HG21 -10.6402 33.7038 0.6081 H 74 THR74 0.0255 1181 HG22 -11.9210 32.9455 1.5514 H 74 THR74 0.0255 1182 HG23 -10.4582 32.0483 1.1478 H 74 THR74 0.0255 1183 N -8.8230 30.8470 3.6920 N.am 75 VAL75 -0.2453 1184 CA -8.3490 29.4880 3.4800 C.3 75 VAL75 0.0901 1185 C -8.8140 28.5420 4.5940 C.2 75 VAL75 0.2189 1186 O -9.2450 27.4130 4.3240 O.2 75 VAL75 -0.2778 1187 CB -6.8091 29.5597 3.3929 C.3 75 VAL75 -0.0227 1188 CG1 -6.1314 28.1779 3.3834 C.3 75 VAL75 -0.0608 1189 CG2 -6.3637 30.3862 2.1729 C.3 75 VAL75 -0.0608 1190 H -8.1450 31.5890 3.8660 H 75 VAL75 0.1312 1191 HA -8.7653 29.1335 2.5355 H 75 VAL75 0.0560 1192 HB -6.4597 30.0834 4.2840 H 75 VAL75 0.0315 1193 HG11 -5.0465 28.2688 3.3681 H 75 VAL75 0.0233 1194 HG12 -6.4303 27.5903 2.5147 H 75 VAL75 0.0233 1195 HG13 -6.3794 27.6038 4.2739 H 75 VAL75 0.0233 1196 HG21 -5.3695 30.7993 2.3322 H 75 VAL75 0.0233 1197 HG22 -7.0166 31.2337 1.9706 H 75 VAL75 0.0233 1198 HG23 -6.3526 29.7789 1.2675 H 75 VAL75 0.0233 1199 N -8.7450 29.0050 5.8410 N.am 76 VAL76 -0.2454 1200 CA -9.1850 28.1860 6.9720 C.3 76 VAL76 0.0901 1201 C -10.6710 27.8400 6.8530 C.2 76 VAL76 0.2189 1202 O -11.0660 26.6720 6.9410 O.2 76 VAL76 -0.2778 1203 CB -8.8163 28.8719 8.3072 C.3 76 VAL76 -0.0227 1204 CG1 -9.4900 28.2191 9.5283 C.3 76 VAL76 -0.0608 1205 CG2 -7.2926 28.8753 8.5172 C.3 76 VAL76 -0.0608 1206 H -8.3810 29.9430 6.0100 H 76 VAL76 0.1312 1207 HA -8.6423 27.2418 6.9019 H 76 VAL76 0.0560 1208 HB -9.1521 29.9076 8.2547 H 76 VAL76 0.0315 1209 HG11 -9.1332 28.6648 10.4565 H 76 VAL76 0.0233 1210 HG12 -9.2697 27.1525 9.5740 H 76 VAL76 0.0233 1211 HG13 -10.5734 28.3361 9.5061 H 76 VAL76 0.0233 1212 HG21 -7.0195 29.4724 9.3869 H 76 VAL76 0.0233 1213 HG22 -6.7595 29.2819 7.6604 H 76 VAL76 0.0233 1214 HG23 -6.9155 27.8645 8.6774 H 76 VAL76 0.0233 1215 N -11.4850 28.8660 6.6350 N.am 77 ASN77 -0.2452 1216 CA -12.9190 28.6900 6.4180 C.3 77 ASN77 0.0957 1217 C -13.2370 27.7520 5.2540 C.2 77 ASN77 0.2192 1218 O -14.0890 26.8740 5.3830 O.2 77 ASN77 -0.2778 1219 CB -13.5715 30.0486 6.0956 C.3 77 ASN77 0.0446 1220 CG -13.5363 31.0484 7.2639 C.2 77 ASN77 0.2000 1221 OD1 -13.6291 30.7009 8.4355 O.2 77 ASN77 -0.2797 1222 ND2 -13.4050 32.3240 6.8661 N.am 77 ASN77 -0.2723 1223 H -11.0960 29.8090 6.6190 H 77 ASN77 0.1312 1224 HA -13.3330 28.2521 7.3276 H 77 ASN77 0.0562 1225 HB1 -14.6198 29.9148 5.8255 H 77 ASN77 0.0375 1226 HB2 -13.0790 30.5019 5.2332 H 77 ASN77 0.0375 1227 HD21 -13.3737 33.0858 7.5101 H 77 ASN77 0.1266 1228 HD22 -13.3247 32.5382 5.8917 H 77 ASN77 0.1266 1229 N -12.5410 27.9210 4.1300 N.am 78 SER78 -0.2436 1230 CA -12.7420 27.0340 2.9840 C.3 78 SER78 0.1109 1231 C -12.4160 25.5850 3.3270 C.2 78 SER78 0.2209 1232 O -13.1450 24.6690 2.9430 O.2 78 SER78 -0.2777 1233 CB -11.8472 27.5150 1.8322 C.3 78 SER78 0.0681 1234 OG -12.1167 26.7683 0.6523 O.3 78 SER78 -0.3930 1235 H -11.8600 28.6780 4.0680 H 78 SER78 0.1312 1236 HA -13.7926 27.0964 2.6975 H 78 SER78 0.0580 1237 HB1 -10.7927 27.4228 2.1194 H 78 SER78 0.0577 1238 HB2 -12.0463 28.5755 1.6477 H 78 SER78 0.0577 1239 HG -11.5262 27.0113 -0.0570 H 78 SER78 0.2095 1240 N -11.3190 25.3760 4.0480 N.am 79 ILE79 -0.2453 1241 CA -10.9440 24.0250 4.4440 C.3 79 ILE79 0.0903 1242 C -11.9950 23.4160 5.3590 C.2 79 ILE79 0.2190 1243 O -12.3820 22.2580 5.2000 O.2 79 ILE79 -0.2778 1244 CB -9.5789 24.0695 5.1749 C.3 79 ILE79 -0.0201 1245 CG1 -8.4285 24.4407 4.2219 C.3 79 ILE79 -0.0514 1246 CG2 -9.2415 22.7585 5.9118 C.3 79 ILE79 -0.0605 1247 CD1 -7.1917 24.9448 4.9753 C.3 79 ILE79 -0.0650 1248 H -10.7370 26.1660 4.3260 H 79 ILE79 0.1312 1249 HA -10.8775 23.4163 3.5407 H 79 ILE79 0.0560 1250 HB -9.6456 24.8531 5.9306 H 79 ILE79 0.0318 1251 HG11 -8.7460 25.2127 3.5230 H 79 ILE79 0.0266 1252 HG12 -8.1621 23.5830 3.6027 H 79 ILE79 0.0266 1253 HG21 -8.2789 22.8348 6.4102 H 79 ILE79 0.0233 1254 HG22 -9.2008 21.9162 5.2208 H 79 ILE79 0.0233 1255 HG23 -9.9652 22.5208 6.6913 H 79 ILE79 0.0233 1256 HD11 -6.4450 25.3198 4.2824 H 79 ILE79 0.0230 1257 HD12 -6.7256 24.1559 5.5627 H 79 ILE79 0.0230 1258 HD13 -7.4444 25.7628 5.6486 H 79 ILE79 0.0230 1259 N -12.4590 24.2020 6.3220 N.am 80 CYS80 -0.2449 1260 CA -13.4680 23.7240 7.2560 C.3 80 CYS80 0.0965 1261 C -14.7360 23.3300 6.5150 C.2 80 CYS80 0.2195 1262 O -15.3020 22.2630 6.7480 O.2 80 CYS80 -0.2778 1263 CB -13.7747 24.8083 8.2980 C.3 80 CYS80 0.0147 1264 SG -12.3445 25.3025 9.2949 S.3 80 CYS80 -0.1762 1265 H -12.1040 25.1540 6.4090 H 80 CYS80 0.1312 1266 HA -13.0652 22.8347 7.7452 H 80 CYS80 0.0565 1267 HB1 -14.5516 24.4526 8.9763 H 80 CYS80 0.0394 1268 HB2 -14.1715 25.6969 7.8063 H 80 CYS80 0.0394 1269 HG -12.7425 26.1603 10.2334 H 80 CYS80 0.1017 1270 N -15.1770 24.1870 5.6060 N.am 81 ASN81 -0.2452 1271 CA -16.3950 23.8870 4.8670 C.3 81 ASN81 0.0957 1272 C -16.2480 22.6870 3.9420 C.2 81 ASN81 0.2192 1273 O -17.1910 21.9310 3.7400 O.2 81 ASN81 -0.2778 1274 CB -16.7332 25.1483 4.0532 C.3 81 ASN81 0.0446 1275 CG -18.1616 25.1314 3.4955 C.2 81 ASN81 0.2000 1276 OD1 -19.0850 25.6651 4.0938 O.2 81 ASN81 -0.2797 1277 ND2 -18.2863 24.4992 2.3192 N.am 81 ASN81 -0.2723 1278 H -14.6670 25.0510 5.4250 H 81 ASN81 0.1312 1279 HA -17.1777 23.6760 5.5989 H 81 ASN81 0.0562 1280 HB1 -16.0238 25.2960 3.2374 H 81 ASN81 0.0375 1281 HB2 -16.6539 26.0271 4.6926 H 81 ASN81 0.0375 1282 HD21 -19.1824 24.4564 1.8800 H 81 ASN81 0.1266 1283 HD22 -17.5018 24.0638 1.8782 H 81 ASN81 0.1266 1284 N -15.0570 22.5130 3.3840 N.am 82 THR82 -0.2434 1285 CA -14.7950 21.4110 2.4700 C.3 82 THR82 0.1135 1286 C -14.6560 20.0640 3.1710 C.2 82 THR82 0.2213 1287 O -15.1680 19.0520 2.6930 O.2 82 THR82 -0.2777 1288 CB -13.5213 21.7572 1.6727 C.3 82 THR82 0.0763 1289 OG1 -13.8216 22.9028 0.8891 O.3 82 THR82 -0.3900 1290 CG2 -13.0474 20.6285 0.7398 C.3 82 THR82 -0.0370 1291 H -14.3060 23.1680 3.6010 H 82 THR82 0.1313 1292 HA -15.6402 21.3444 1.7830 H 82 THR82 0.0583 1293 HB -12.7301 21.9885 2.3981 H 82 THR82 0.0611 1294 HG1 -13.0311 23.2875 0.5221 H 82 THR82 0.2098 1295 HG21 -12.1664 20.9228 0.1694 H 82 THR82 0.0255 1296 HG22 -13.8297 20.3582 0.0305 H 82 THR82 0.0255 1297 HG23 -12.7773 19.7327 1.2987 H 82 THR82 0.0255 1298 N -13.9620 20.0600 4.3080 N.am 83 THR83 -0.2433 1299 CA -13.5870 18.8290 4.9960 C.3 83 THR83 0.1135 1300 C -14.4690 18.5480 6.2030 C.2 83 THR83 0.2210 1301 O -14.4680 17.4420 6.7380 O.2 83 THR83 -0.2777 1302 CB -12.0997 18.8708 5.4100 C.3 83 THR83 0.0763 1303 OG1 -11.8961 19.8282 6.4374 O.3 83 THR83 -0.3900 1304 CG2 -11.1891 19.1699 4.2045 C.3 83 THR83 -0.0370 1305 H -13.6820 20.9530 4.7140 H 83 THR83 0.1313 1306 HA -13.7261 17.9955 4.3061 H 83 THR83 0.0583 1307 HB -11.8496 17.8783 5.8029 H 83 THR83 0.0611 1308 HG1 -10.9727 19.8830 6.6648 H 83 THR83 0.2098 1309 HG21 -10.1351 19.0392 4.4497 H 83 THR83 0.0255 1310 HG22 -11.3205 20.1930 3.8507 H 83 THR83 0.0255 1311 HG23 -11.4127 18.5005 3.3738 H 83 THR83 0.0255 1312 N -15.1950 19.5610 6.6540 N.am 84 GLY84 -0.2484 1313 CA -16.0010 19.4260 7.8510 C.3 84 GLY84 0.0765 1314 C -15.1960 19.5900 9.1270 C.2 84 GLY84 0.2155 1315 O -15.7280 19.4410 10.2240 O.2 84 GLY84 -0.2781 1316 H -15.1860 20.4490 6.1510 H 84 GLY84 0.1309 1317 HA1 -16.5036 18.4578 7.8448 H 84 GLY84 0.0521 1318 HA2 -16.7582 20.2081 7.8089 H 84 GLY84 0.0521 1319 N -13.9080 19.8910 8.9870 N.am 85 ALA85 -0.2462 1320 CA -13.0520 20.1130 10.1420 C.3 85 ALA85 0.0850 1321 C -13.5790 21.2880 10.9510 C.2 85 ALA85 0.2184 1322 O -14.1030 22.2490 10.3930 O.2 85 ALA85 -0.2778 1323 CB -11.6136 20.3751 9.6811 C.3 85 ALA85 -0.0411 1324 H -13.5120 19.9680 8.0500 H 85 ALA85 0.1311 1325 HA -13.0972 19.2085 10.7510 H 85 ALA85 0.0554 1326 HB1 -10.9571 20.5913 10.5245 H 85 ALA85 0.0249 1327 HB2 -11.5634 21.2195 8.9924 H 85 ALA85 0.0249 1328 HB3 -11.2104 19.4982 9.1758 H 85 ALA85 0.0249 1329 N -13.4550 21.2020 12.2690 N.am 86 GLU86 -0.2456 1330 CA -13.9560 22.2590 13.1370 C.3 86 GLU86 0.0883 1331 C -13.1000 23.5090 13.0310 C.2 86 GLU86 0.2187 1332 O -11.8790 23.4280 12.9210 O.2 86 GLU86 -0.2778 1333 CB -14.0513 21.8905 14.6394 C.3 86 GLU86 -0.0193 1334 CG -14.4964 23.0930 15.5419 C.3 86 GLU86 0.0356 1335 CD -14.5368 22.8107 17.0518 C.2 86 GLU86 0.1760 1336 OE1 -15.0121 21.7556 17.4352 O.co2 86 GLU86 -0.6478 1337 OE2 -14.0780 23.6304 17.8627 O.co2 86 GLU86 -0.6478 1338 H -13.0030 20.3850 12.6800 H 86 GLU86 0.1312 1339 HA -14.9602 22.5003 12.7806 H 86 GLU86 0.0557 1340 HB1 -13.0832 21.5119 14.9593 H 86 GLU86 0.0290 1341 HB2 -14.7526 21.0645 14.7619 H 86 GLU86 0.0290 1342 HG1 -15.4850 23.4398 15.2439 H 86 GLU86 0.0374 1343 HG2 -13.8169 23.9350 15.4383 H 86 GLU86 0.0374 1344 N -13.7520 24.6650 13.0560 N.am 87 LYS87 -0.2456 1345 CA -13.0530 25.9300 12.8950 C.3 87 LYS87 0.0880 1346 C -12.3110 26.3340 14.1640 C.2 87 LYS87 0.2213 1347 O -12.9080 26.4460 15.2290 O.2 87 LYS87 -0.2776 1348 CB -14.0101 27.0496 12.4555 C.3 87 LYS87 -0.0289 1349 CG -13.2334 28.3263 12.0844 C.3 87 LYS87 -0.0496 1350 CD -14.1057 29.4873 11.6028 C.3 87 LYS87 -0.0278 1351 CE -13.2499 30.7418 11.3839 C.3 87 LYS87 0.1103 1352 NZ -13.9879 31.8588 10.7989 N.4 87 LYS87 -0.0749 1353 H -14.7630 24.6660 13.1910 H 87 LYS87 0.1312 1354 HA -12.3745 25.7500 12.0655 H 87 LYS87 0.0557 1355 HB1 -14.7331 27.2597 13.2451 H 87 LYS87 0.0285 1356 HB2 -14.5845 26.7110 11.5923 H 87 LYS87 0.0285 1357 HG1 -12.5082 28.0891 11.3050 H 87 LYS87 0.0266 1358 HG2 -12.6560 28.6638 12.9458 H 87 LYS87 0.0266 1359 HD1 -14.8870 29.6919 12.3359 H 87 LYS87 0.0282 1360 HD2 -14.6063 29.2032 10.6759 H 87 LYS87 0.0282 1361 HE1 -12.4204 30.5078 10.7136 H 87 LYS87 0.0559 1362 HE2 -12.8165 31.0742 12.3302 H 87 LYS87 0.0559 1363 HZ1 -13.3602 32.6830 10.7052 H 87 LYS87 0.2742 1364 HZ2 -14.7996 32.1043 11.4006 H 87 LYS87 0.2742 1365 HZ3 -14.3251 31.5842 9.8515 H 87 LYS87 0.2742 1366 N -10.9990 26.5540 14.0470 N.am 88 PRO88 -0.2316 1367 CA -10.1660 26.9560 15.1830 C.3 88 PRO88 0.0907 1368 C -10.3890 28.4090 15.5830 C.2 88 PRO88 0.2189 1369 O -10.7980 29.2260 14.7640 O.2 88 PRO88 -0.2778 1370 CB -8.7401 26.7151 14.6780 C.3 88 PRO88 -0.0276 1371 CG -8.8289 26.9276 13.1725 C.3 88 PRO88 -0.0379 1372 CD -10.2259 26.4269 12.8045 C.3 88 PRO88 0.0071 1373 HA -10.4117 26.3097 16.0214 H 88 PRO88 0.0559 1374 HB1 -8.4725 25.6753 14.8651 H 88 PRO88 0.0285 1375 HB2 -7.9851 27.3409 15.1556 H 88 PRO88 0.0285 1376 HG1 -8.0404 26.4111 12.6247 H 88 PRO88 0.0278 1377 HG2 -8.7474 27.9928 12.9511 H 88 PRO88 0.0278 1378 HD1 -10.6684 27.0311 12.0136 H 88 PRO88 0.0431 1379 HD2 -10.2141 25.3715 12.5284 H 88 PRO88 0.0431 1380 N -10.1030 28.7130 16.8440 N.am 89 LYS89 -0.2456 1381 CA -10.2850 30.0470 17.4070 C.3 89 LYS89 0.0878 1382 C -9.1850 30.9910 16.9450 C.2 89 LYS89 0.2187 1383 O -9.4290 32.1600 16.6360 O.2 89 LYS89 -0.2778 1384 CB -10.3820 29.8401 18.9355 C.3 89 LYS89 -0.0289 1385 CG -11.6062 28.9976 19.4120 C.3 89 LYS89 -0.0496 1386 CD -11.6004 27.4801 19.0768 C.3 89 LYS89 -0.0278 1387 CE -12.6829 26.6577 19.8125 C.3 89 LYS89 0.1103 1388 NZ -12.7556 25.2364 19.4326 N.4 89 LYS89 -0.0749 1389 H -9.7380 27.9770 17.4490 H 89 LYS89 0.1312 1390 HA -11.2322 30.4375 17.0310 H 89 LYS89 0.0557 1391 HB1 -10.4394 30.8205 19.4106 H 89 LYS89 0.0285 1392 HB2 -9.4624 29.3853 19.3075 H 89 LYS89 0.0285 1393 HG1 -12.5236 29.4482 19.0319 H 89 LYS89 0.0266 1394 HG2 -11.6603 29.0955 20.4971 H 89 LYS89 0.0266 1395 HD1 -10.6187 27.0769 19.3218 H 89 LYS89 0.0282 1396 HD2 -11.7547 27.3295 18.0099 H 89 LYS89 0.0282 1397 HE1 -13.6696 27.0935 19.6442 H 89 LYS89 0.0559 1398 HE2 -12.4988 26.7007 20.8878 H 89 LYS89 0.0559 1399 HZ1 -13.3853 24.7162 20.0772 H 89 LYS89 0.2742 1400 HZ2 -11.8104 24.8031 19.4591 H 89 LYS89 0.2742 1401 HZ3 -13.1623 25.1081 18.4768 H 89 LYS89 0.2742 1402 N -7.9640 30.4710 16.9130 N.am 90 PHE90 -0.2453 1403 CA -6.8100 31.2290 16.4580 C.3 90 PHE90 0.0917 1404 C -6.3370 30.6650 15.1280 C.2 90 PHE90 0.2190 1405 O -6.5430 29.4830 14.8480 O.2 90 PHE90 -0.2778 1406 CB -5.6841 31.1168 17.5012 C.3 90 PHE90 -0.0036 1407 CG -6.0868 31.7400 18.8112 C.ar 90 PHE90 -0.0454 1408 CD1 -6.6514 30.9656 19.8203 C.ar 90 PHE90 -0.0585 1409 CD2 -5.9604 33.1123 19.0038 C.ar 90 PHE90 -0.0585 1410 CE1 -7.1014 31.5559 20.9930 C.ar 90 PHE90 -0.0615 1411 CE2 -6.4026 33.7042 20.1800 C.ar 90 PHE90 -0.0615 1412 CZ -6.9744 32.9253 21.1765 C.ar 90 PHE90 -0.0617 1413 H -7.8310 29.5070 17.2180 H 90 PHE90 0.1312 1414 HA -7.0867 32.2749 16.3117 H 90 PHE90 0.0560 1415 HB1 -4.7807 31.6118 17.1423 H 90 PHE90 0.0333 1416 HB2 -5.4176 30.0712 17.6644 H 90 PHE90 0.0333 1417 HD1 -6.7818 29.9022 19.6793 H 90 PHE90 0.0620 1418 HD2 -5.5518 33.7280 18.2160 H 90 PHE90 0.0620 1419 HE1 -7.5756 30.9481 21.7494 H 90 PHE90 0.0618 1420 HE2 -6.3382 34.7750 20.3015 H 90 PHE90 0.0618 1421 HZ -7.3509 33.3837 22.0790 H 90 PHE90 0.0618 1422 N -5.7140 31.5120 14.3130 N.am 91 LEU91 -0.2456 1423 CA -5.0950 31.0680 13.0730 C.3 91 LEU91 0.0883 1424 C -4.0280 30.0260 13.3570 C.2 91 LEU91 0.2214 1425 O -3.1130 30.2660 14.1450 O.2 91 LEU91 -0.2776 1426 CB -4.4222 32.2399 12.3229 C.3 91 LEU91 -0.0266 1427 CG -5.3761 33.1103 11.4885 C.3 91 LEU91 -0.0449 1428 CD1 -4.6482 34.3490 10.9473 C.3 91 LEU91 -0.0626 1429 CD2 -5.9976 32.3227 10.3217 C.3 91 LEU91 -0.0626 1430 H -5.6690 32.4990 14.5640 H 91 LEU91 0.1312 1431 HA -5.9140 30.6796 12.4780 H 91 LEU91 0.0557 1432 HB1 -3.6596 31.8618 11.6383 H 91 LEU91 0.0287 1433 HB2 -3.8904 32.8637 13.0409 H 91 LEU91 0.0287 1434 HG -6.1696 33.4620 12.1438 H 91 LEU91 0.0296 1435 HD11 -5.3297 34.9912 10.3875 H 91 LEU91 0.0232 1436 HD12 -3.8361 34.0676 10.2759 H 91 LEU91 0.0232 1437 HD13 -4.2236 34.9442 11.7558 H 91 LEU91 0.0232 1438 HD21 -6.5550 32.9821 9.6569 H 91 LEU91 0.0232 1439 HD22 -6.6899 31.5567 10.6681 H 91 LEU91 0.0232 1440 HD23 -5.2305 31.8321 9.7221 H 91 LEU91 0.0232 1441 N -4.1410 28.8650 12.7120 N.am 92 PRO92 -0.2316 1442 CA -3.1400 27.8030 12.8210 C.3 92 PRO92 0.0907 1443 C -2.0770 27.9850 11.7410 C.2 92 PRO92 0.2189 1444 O -2.1550 28.9310 10.9590 O.2 92 PRO92 -0.2778 1445 CB -3.9721 26.5510 12.5351 C.3 92 PRO92 -0.0276 1446 CG -5.0104 27.0199 11.5172 C.3 92 PRO92 -0.0379 1447 CD -5.2772 28.4835 11.8689 C.3 92 PRO92 0.0071 1448 HA -2.6876 27.7972 13.8152 H 92 PRO92 0.0559 1449 HB1 -4.4791 26.2428 13.4503 H 92 PRO92 0.0285 1450 HB2 -3.3873 25.6987 12.1850 H 92 PRO92 0.0285 1451 HG1 -5.9213 26.4259 11.5510 H 92 PRO92 0.0278 1452 HG2 -4.5983 26.9511 10.5105 H 92 PRO92 0.0278 1453 HD1 -5.3107 29.1310 10.9918 H 92 PRO92 0.0431 1454 HD2 -6.1894 28.5729 12.4613 H 92 PRO92 0.0431 1455 N -1.0910 27.0940 11.6870 N.am 93 ASP93 -0.2451 1456 CA -0.0120 27.2330 10.7070 C.3 93 ASP93 0.0974 1457 C -0.2170 26.3730 9.4690 C.2 93 ASP93 0.2192 1458 O 0.1210 26.7870 8.3560 O.2 93 ASP93 -0.2778 1459 CB 1.3180 26.8830 11.3400 C.3 93 ASP93 0.0576 1460 CG 1.7560 27.9320 12.3350 C.2 93 ASP93 0.1780 1461 OD1 1.7340 29.1210 11.9600 O.co2 93 ASP93 -0.6478 1462 OD2 2.0910 27.5680 13.4790 O.co2 93 ASP93 -0.6478 1463 H -1.0870 26.3060 12.3350 H 93 ASP93 0.1312 1464 HA 0.0280 28.3000 10.3850 H 93 ASP93 0.0563 1465 HB1 2.1020 26.7030 10.5670 H 93 ASP93 0.0394 1466 HB2 1.1790 25.9300 11.9010 H 93 ASP93 0.0394 1467 N -0.7380 25.1650 9.6730 N.am 94 LEU94 -0.2456 1468 CA -0.9360 24.2300 8.5620 C.3 94 LEU94 0.0880 1469 C -2.2740 23.5290 8.7000 C.2 94 LEU94 0.2187 1470 O -2.8840 23.5680 9.7570 O.2 94 LEU94 -0.2778 1471 CB 0.1773 23.1574 8.5371 C.3 94 LEU94 -0.0266 1472 CG 1.6303 23.6741 8.5298 C.3 94 LEU94 -0.0449 1473 CD1 2.5995 22.5210 8.8123 C.3 94 LEU94 -0.0626 1474 CD2 2.0012 24.3498 7.2035 C.3 94 LEU94 -0.0626 1475 H -1.0040 24.8860 10.6170 H 94 LEU94 0.1312 1476 HA -0.9476 24.7878 7.6252 H 94 LEU94 0.0557 1477 HB1 0.0367 22.5059 7.6723 H 94 LEU94 0.0287 1478 HB2 0.0540 22.5121 9.4042 H 94 LEU94 0.0287 1479 HG 1.7603 24.3972 9.3347 H 94 LEU94 0.0296 1480 HD11 3.6295 22.8759 8.8446 H 94 LEU94 0.0232 1481 HD12 2.5315 21.7562 8.0376 H 94 LEU94 0.0232 1482 HD13 2.3830 22.0480 9.7709 H 94 LEU94 0.0232 1483 HD21 3.0540 24.6341 7.1866 H 94 LEU94 0.0232 1484 HD22 1.4227 25.2554 7.0495 H 94 LEU94 0.0232 1485 HD23 1.8213 23.6872 6.3559 H 94 LEU94 0.0232 1486 N -2.7210 22.8930 7.6190 N.am 95 TYR95 -0.2453 1487 CA -3.7590 21.8780 7.7080 C.3 95 TYR95 0.0917 1488 C -3.2060 20.5550 7.1880 C.2 95 TYR95 0.2190 1489 O -2.5460 20.5110 6.1600 O.2 95 TYR95 -0.2778 1490 CB -5.0200 22.2896 6.9392 C.3 95 TYR95 -0.0036 1491 CG -6.1243 21.2673 7.0734 C.ar 95 TYR95 -0.0453 1492 CD1 -6.7992 21.1093 8.2798 C.ar 95 TYR95 -0.0561 1493 CD2 -6.4841 20.4603 5.9985 C.ar 95 TYR95 -0.0561 1494 CE1 -7.8370 20.1954 8.4055 C.ar 95 TYR95 -0.0317 1495 CE2 -7.5177 19.5391 6.1244 C.ar 95 TYR95 -0.0317 1496 CZ -8.2013 19.4127 7.3230 C.ar 95 TYR95 0.0726 1497 OH -9.2414 18.5137 7.4389 O.3 95 TYR95 -0.3598 1498 H -2.3260 23.1230 6.7070 H 95 TYR95 0.1312 1499 HA -4.0103 21.7242 8.7545 H 95 TYR95 0.0560 1500 HB1 -4.7889 22.4452 5.8868 H 95 TYR95 0.0333 1501 HB2 -5.3808 23.2457 7.3180 H 95 TYR95 0.0333 1502 HD1 -6.5148 21.6995 9.1334 H 95 TYR95 0.0621 1503 HD2 -5.9615 20.5531 5.0575 H 95 TYR95 0.0621 1504 HE1 -8.3619 20.0887 9.3431 H 95 TYR95 0.0643 1505 HE2 -7.8046 18.9224 5.2894 H 95 TYR95 0.0643 1506 HH -9.3301 18.0225 6.6335 H 95 TYR95 0.2173 1507 N -3.4730 19.4850 7.9200 N.am 96 ASP96 -0.2451 1508 CA -3.0020 18.1550 7.5790 C.3 96 ASP96 0.0974 1509 C -4.1600 17.4150 6.9150 C.2 96 ASP96 0.2192 1510 O -5.0980 16.9940 7.5960 O.2 96 ASP96 -0.2778 1511 CB -2.6364 17.5505 8.9526 C.3 96 ASP96 0.0576 1512 CG -1.7677 16.2905 8.9405 C.2 96 ASP96 0.1780 1513 OD1 -1.6880 15.6193 7.9205 O.co2 96 ASP96 -0.6478 1514 OD2 -1.1613 15.9757 9.9668 O.co2 96 ASP96 -0.6478 1515 H -4.0360 19.6010 8.7630 H 96 ASP96 0.1312 1516 HA -2.1405 18.2124 6.9117 H 96 ASP96 0.0563 1517 HB1 -3.5334 17.3312 9.5256 H 96 ASP96 0.0394 1518 HB2 -2.0894 18.2965 9.5267 H 96 ASP96 0.0394 1519 N -4.1010 17.2600 5.5930 N.am 97 TYR97 -0.2453 1520 CA -5.1800 16.5780 4.8700 C.3 97 TYR97 0.0917 1521 C -5.2580 15.0970 5.2310 C.2 97 TYR97 0.2190 1522 O -6.3200 14.4890 5.1510 O.2 97 TYR97 -0.2778 1523 CB -4.9982 16.7224 3.3444 C.3 97 TYR97 -0.0036 1524 CG -5.3573 18.0957 2.8373 C.ar 97 TYR97 -0.0453 1525 CD1 -6.6858 18.5104 2.8293 C.ar 97 TYR97 -0.0561 1526 CD2 -4.3877 18.9486 2.3178 C.ar 97 TYR97 -0.0561 1527 CE1 -7.0303 19.7784 2.3784 C.ar 97 TYR97 -0.0317 1528 CE2 -4.7306 20.2092 1.8495 C.ar 97 TYR97 -0.0317 1529 CZ -6.0504 20.6342 1.9004 C.ar 97 TYR97 0.0726 1530 OH -6.3995 21.8975 1.4706 O.3 97 TYR97 -0.3598 1531 H -3.2970 17.6190 5.0780 H 97 TYR97 0.1312 1532 HA -6.1192 17.0331 5.1864 H 97 TYR97 0.0560 1533 HB1 -5.6427 16.0154 2.8195 H 97 TYR97 0.0333 1534 HB2 -3.9777 16.4688 3.0557 H 97 TYR97 0.0333 1535 HD1 -7.4571 17.8493 3.1961 H 97 TYR97 0.0621 1536 HD2 -3.3574 18.6376 2.2560 H 97 TYR97 0.0621 1537 HE1 -8.0585 20.1070 2.4017 H 97 TYR97 0.0643 1538 HE2 -3.9644 20.8536 1.4456 H 97 TYR97 0.0643 1539 HH -5.6328 22.3560 1.1473 H 97 TYR97 0.2173 1540 N -4.1290 14.5290 5.6430 N.am 98 LYS98 -0.2456 1541 CA -4.0760 13.1180 6.0050 C.3 98 LYS98 0.0878 1542 C -4.7080 12.8390 7.3660 C.2 98 LYS98 0.2187 1543 O -5.6220 12.0290 7.4650 O.2 98 LYS98 -0.2778 1544 CB -2.6163 12.6125 6.0465 C.3 98 LYS98 -0.0289 1545 CG -2.5166 11.1252 6.4587 C.3 98 LYS98 -0.0496 1546 CD -1.0946 10.6364 6.7522 C.3 98 LYS98 -0.0278 1547 CE -1.1038 9.2559 7.4333 C.3 98 LYS98 0.1103 1548 NZ -1.6721 9.2742 8.7817 N.4 98 LYS98 -0.0749 1549 H -3.2820 15.0930 5.7070 H 98 LYS98 0.1312 1550 HA -4.6378 12.5631 5.2513 H 98 LYS98 0.0557 1551 HB1 -2.0434 13.2216 6.7479 H 98 LYS98 0.0285 1552 HB2 -2.1507 12.7561 5.0718 H 98 LYS98 0.0285 1553 HG1 -2.9770 10.5017 5.6916 H 98 LYS98 0.0266 1554 HG2 -3.0947 10.9541 7.3654 H 98 LYS98 0.0266 1555 HD1 -0.5807 11.3551 7.3891 H 98 LYS98 0.0282 1556 HD2 -0.5280 10.5930 5.8218 H 98 LYS98 0.0282 1557 HE1 -0.0876 8.8662 7.5103 H 98 LYS98 0.0559 1558 HE2 -1.6802 8.5488 6.8344 H 98 LYS98 0.0559 1559 HZ1 -1.8150 8.3309 9.1795 H 98 LYS98 0.2742 1560 HZ2 -2.5660 9.8141 8.8183 H 98 LYS98 0.2742 1561 HZ3 -1.0791 9.8335 9.4327 H 98 LYS98 0.2742 1562 N -4.2330 13.5160 8.4110 N.am 99 GLU99 -0.2456 1563 CA -4.7750 13.3140 9.7570 C.3 99 GLU99 0.0883 1564 C -6.0200 14.1630 10.0100 C.2 99 GLU99 0.2187 1565 O -6.5950 14.1250 11.0950 O.2 99 GLU99 -0.2778 1566 CB -3.6906 13.6079 10.8055 C.3 99 GLU99 -0.0193 1567 CG -2.2528 13.2229 10.4139 C.3 99 GLU99 0.0356 1568 CD -1.9096 11.7450 10.1918 C.2 99 GLU99 0.1760 1569 OE1 -0.7436 11.4413 9.9222 O.co2 99 GLU99 -0.6478 1570 OE2 -2.7773 10.8844 10.2676 O.co2 99 GLU99 -0.6478 1571 H -3.4780 14.1870 8.2710 H 99 GLU99 0.1312 1572 HA -5.0589 12.2634 9.8424 H 99 GLU99 0.0557 1573 HB1 -3.9567 13.1614 11.7637 H 99 GLU99 0.0290 1574 HB2 -3.6728 14.6847 10.9530 H 99 GLU99 0.0290 1575 HG1 -1.5537 13.6110 11.1510 H 99 GLU99 0.0374 1576 HG2 -2.0278 13.7114 9.4787 H 99 GLU99 0.0374 1577 N -6.4190 14.9410 9.0060 N.am 100 ASN100 -0.2452 1578 CA -7.6390 15.7540 9.0590 C.3 100 ASN100 0.0957 1579 C -7.6990 16.7430 10.2300 C.2 100 ASN100 0.2191 1580 O -8.6960 16.8080 10.9410 O.2 100 ASN100 -0.2778 1581 CB -8.8955 14.8604 9.0454 C.3 100 ASN100 0.0446 1582 CG -8.9043 13.8935 7.8553 C.2 100 ASN100 0.2000 1583 OD1 -8.9694 12.6829 8.0124 O.2 100 ASN100 -0.2797 1584 ND2 -8.8371 14.4963 6.6594 N.am 100 ASN100 -0.2723 1585 H -5.8500 14.9730 8.1610 H 100 ASN100 0.1312 1586 HA -7.6075 16.3599 8.1535 H 100 ASN100 0.0562 1587 HB1 -9.8011 15.4650 8.9923 H 100 ASN100 0.0375 1588 HB2 -8.9588 14.2679 9.9582 H 100 ASN100 0.0375 1589 HD21 -8.8058 13.9261 5.8393 H 100 ASN100 0.1266 1590 HD22 -8.8045 15.4897 6.5730 H 100 ASN100 0.1266 1591 N -6.6390 17.5180 10.4240 N.am 101 ARG101 -0.2456 1592 CA -6.5990 18.4800 11.5200 C.3 101 ARG101 0.0879 1593 C -5.6710 19.6370 11.2050 C.2 101 ARG101 0.2187 1594 O -4.7610 19.5110 10.3840 O.2 101 ARG101 -0.2778 1595 CB -5.9434 17.6822 12.6913 C.3 101 ARG101 -0.0258 1596 CG -4.4987 17.1698 12.3863 C.3 101 ARG101 -0.0154 1597 CD -3.9571 16.0632 13.3147 C.3 101 ARG101 0.1045 1598 NE -2.5590 15.7385 12.9740 N.pl3 101 ARG101 -0.4450 1599 CZ -1.7484 14.9616 13.7051 C.cat 101 ARG101 0.5062 1600 NH1 -2.1629 14.2970 14.7440 N.pl3 101 ARG101 -0.4573 1601 NH2 -0.4939 14.8392 13.3966 N.pl3 101 ARG101 -0.4573 1602 H -5.8390 17.4390 9.7960 H 101 ARG101 0.1312 1603 HA -7.6037 18.8434 11.7445 H 101 ARG101 0.0557 1604 HB1 -6.5787 16.8244 12.9160 H 101 ARG101 0.0286 1605 HB2 -5.9305 18.2870 13.5992 H 101 ARG101 0.0286 1606 HG1 -3.8062 18.0125 12.4013 H 101 ARG101 0.0299 1607 HG2 -4.4571 16.7694 11.3764 H 101 ARG101 0.0299 1608 HD1 -4.5486 15.1506 13.2053 H 101 ARG101 0.0711 1609 HD2 -3.9960 16.3789 14.3574 H 101 ARG101 0.0711 1610 HE -2.1346 16.0875 12.1297 H 101 ARG101 0.3153 1611 HH11 -1.4740 13.7731 15.2746 H 101 ARG101 0.3114 1612 HH12 -3.1174 14.2898 15.0014 H 101 ARG101 0.3114 1613 HH21 0.0888 14.2959 14.0165 H 101 ARG101 0.3114 1614 HH22 -0.1145 15.2658 12.5809 H 101 ARG101 0.3114 1615 N -5.8950 20.7680 11.8650 N.am 102 PHE102 -0.2453 1616 CA -4.9720 21.8820 11.7550 C.3 102 PHE102 0.0917 1617 C -3.7620 21.6300 12.6390 C.2 102 PHE102 0.2190 1618 O -3.8130 20.8090 13.5580 O.2 102 PHE102 -0.2778 1619 CB -5.6873 23.1835 12.1628 C.3 102 PHE102 -0.0036 1620 CG -6.7758 23.5650 11.1900 C.ar 102 PHE102 -0.0454 1621 CD1 -6.4634 24.2579 10.0219 C.ar 102 PHE102 -0.0585 1622 CD2 -8.1042 23.2225 11.4318 C.ar 102 PHE102 -0.0585 1623 CE1 -7.4565 24.6002 9.1122 C.ar 102 PHE102 -0.0615 1624 CE2 -9.0983 23.5547 10.5188 C.ar 102 PHE102 -0.0615 1625 CZ -8.7751 24.2436 9.3577 C.ar 102 PHE102 -0.0617 1626 H -6.7230 20.8540 12.4540 H 102 PHE102 0.1312 1627 HA -4.6381 21.9569 10.7234 H 102 PHE102 0.0560 1628 HB1 -4.9727 24.0046 12.2053 H 102 PHE102 0.0333 1629 HB2 -6.1080 23.0920 13.1656 H 102 PHE102 0.0333 1630 HD1 -5.4375 24.5238 9.8098 H 102 PHE102 0.0620 1631 HD2 -8.3705 22.6844 12.3297 H 102 PHE102 0.0620 1632 HE1 -7.2009 25.1286 8.2048 H 102 PHE102 0.0618 1633 HE2 -10.1251 23.2759 10.7109 H 102 PHE102 0.0618 1634 HZ -9.5468 24.4977 8.6444 H 102 PHE102 0.0618 1635 N -2.6700 22.3260 12.3400 N.am 103 ILE103 -0.2454 1636 CA -1.4320 22.1840 13.0950 C.3 103 ILE103 0.0903 1637 C -0.9050 23.5670 13.4520 C.2 103 ILE103 0.2189 1638 O -0.8560 24.4560 12.5870 O.2 103 ILE103 -0.2778 1639 CB -0.3570 21.3753 12.3292 C.3 103 ILE103 -0.0201 1640 CG1 -0.8800 19.9847 11.9153 C.3 103 ILE103 -0.0514 1641 CG2 0.9465 21.2546 13.1508 C.3 103 ILE103 -0.0605 1642 CD1 0.1584 19.1285 11.1804 C.3 103 ILE103 -0.0650 1643 H -2.7000 22.9800 11.5580 H 103 ILE103 0.1312 1644 HA -1.6628 21.6664 14.0241 H 103 ILE103 0.0560 1645 HB -0.1158 21.9194 11.4190 H 103 ILE103 0.0318 1646 HG11 -1.7483 20.0962 11.2650 H 103 ILE103 0.0266 1647 HG12 -1.2273 19.4431 12.7933 H 103 ILE103 0.0266 1648 HG21 1.7302 20.7379 12.5984 H 103 ILE103 0.0233 1649 HG22 0.7763 20.7121 14.0809 H 103 ILE103 0.0233 1650 HG23 1.3616 22.2284 13.4080 H 103 ILE103 0.0233 1651 HD11 -0.2837 18.1918 10.8494 H 103 ILE103 0.0230 1652 HD12 0.9985 18.8624 11.8211 H 103 ILE103 0.0230 1653 HD13 0.5467 19.6474 10.3038 H 103 ILE103 0.0230 1654 N -0.5460 23.7280 14.7290 N.am 104 GLU104 -0.2456 1655 CA 0.1870 24.8770 15.2420 C.3 104 GLU104 0.0883 1656 C 1.6370 24.4730 15.4500 C.2 104 GLU104 0.2187 1657 O 1.9290 23.5440 16.2020 O.2 104 GLU104 -0.2778 1658 CB -0.3850 25.3460 16.5860 C.3 104 GLU104 -0.0193 1659 CG 0.4700 26.4470 17.2380 C.3 104 GLU104 0.0356 1660 CD 0.5950 27.6670 16.3320 C.2 104 GLU104 0.1760 1661 OE1 -0.4330 28.0650 15.7480 O.co2 104 GLU104 -0.6478 1662 OE2 1.7170 28.2000 16.1720 O.co2 104 GLU104 -0.6478 1663 H -0.8030 22.9950 15.3900 H 104 GLU104 0.1312 1664 HA 0.1350 25.7110 14.5040 H 104 GLU104 0.0557 1665 HB1 -0.5310 24.4870 17.2820 H 104 GLU104 0.0290 1666 HB2 -1.3900 25.7840 16.3840 H 104 GLU104 0.0290 1667 HG1 1.4710 26.0600 17.5420 H 104 GLU104 0.0374 1668 HG2 -0.0570 26.7730 18.1650 H 104 GLU104 0.0374 1669 N 2.5410 25.1700 14.7810 N.am 105 ILE105 -0.2454 1670 CA 3.9640 24.9040 14.9140 C.3 105 ILE105 0.0903 1671 C 4.5480 25.9780 15.8130 C.2 105 ILE105 0.2187 1672 O 4.3680 27.1640 15.5560 O.2 105 ILE105 -0.2778 1673 CB 4.6650 25.0220 13.5560 C.3 105 ILE105 -0.0201 1674 CG1 4.1290 23.9800 12.5710 C.3 105 ILE105 -0.0514 1675 CG2 6.1830 24.8940 13.7190 C.3 105 ILE105 -0.0605 1676 CD1 4.4090 22.5720 12.9960 C.3 105 ILE105 -0.0650 1677 H 2.2310 25.9140 14.1550 H 105 ILE105 0.1312 1678 HA 4.1330 23.8930 15.3540 H 105 ILE105 0.0560 1679 HB 4.4460 26.0340 13.1410 H 105 ILE105 0.0318 1680 HG11 4.5160 24.1690 11.5430 H 105 ILE105 0.0266 1681 HG12 3.0210 24.1000 12.5340 H 105 ILE105 0.0266 1682 HG21 6.6930 24.9800 12.7310 H 105 ILE105 0.0233 1683 HG22 6.4640 23.9550 14.2490 H 105 ILE105 0.0233 1684 HG23 6.5250 25.7490 14.3480 H 105 ILE105 0.0233 1685 HD11 4.0190 21.8130 12.2780 H 105 ILE105 0.0230 1686 HD12 4.0220 22.3830 14.0240 H 105 ILE105 0.0230 1687 HD13 5.5170 22.4520 13.0330 H 105 ILE105 0.0230 1688 N 5.2380 25.5710 16.8700 N.am 106 GLY106 -0.2485 1689 CA 5.9040 26.5320 17.7330 C.3 106 GLY106 0.0765 1690 C 7.4010 26.3710 17.5970 C.2 106 GLY106 0.2155 1691 O 7.8920 25.2590 17.4660 O.2 106 GLY106 -0.2781 1692 H 5.3020 24.5750 17.0790 H 106 GLY106 0.1309 1693 HA1 5.6178 26.2858 18.7515 H 106 GLY106 0.0521 1694 HA2 5.6024 27.5585 17.5193 H 106 GLY106 0.0521 1695 N 8.1290 27.4790 17.5890 N.am 107 VAL107 -0.2456 1696 CA 9.5850 27.4240 17.6470 C.3 107 VAL107 0.0901 1697 C 10.0380 28.3170 18.7960 C.2 107 VAL107 0.2190 1698 O 9.7470 29.5070 18.7980 O.2 107 VAL107 -0.2778 1699 CB 10.1865 27.8678 16.2940 C.3 107 VAL107 -0.0227 1700 CG1 11.7198 27.7534 16.2959 C.3 107 VAL107 -0.0608 1701 CG2 9.6115 27.0602 15.1176 C.3 107 VAL107 -0.0608 1702 H 7.6630 28.3850 17.5410 H 107 VAL107 0.1312 1703 HA 9.8982 26.4053 17.8518 H 107 VAL107 0.0560 1704 HB 9.9288 28.9147 16.1261 H 107 VAL107 0.0315 1705 HG11 12.1397 28.0719 15.3419 H 107 VAL107 0.0233 1706 HG12 12.0391 26.7252 16.4718 H 107 VAL107 0.0233 1707 HG13 12.1635 28.3764 17.0709 H 107 VAL107 0.0233 1708 HG21 10.0638 27.3728 14.1768 H 107 VAL107 0.0233 1709 HG22 8.5356 27.1950 15.0131 H 107 VAL107 0.0233 1710 HG23 9.8052 25.9939 15.2408 H 107 VAL107 0.0233 1711 N 10.7440 27.7610 19.7770 N.am 108 THR108 -0.2434 1712 CA 11.0350 28.5290 20.9890 C.3 108 THR108 0.1135 1713 C 12.4930 28.4360 21.4350 C.2 108 THR108 0.2212 1714 O 13.1910 27.4690 21.1290 O.2 108 THR108 -0.2777 1715 CB 10.1290 27.9484 22.1021 C.3 108 THR108 0.0763 1716 OG1 10.2311 28.6387 23.3318 O.3 108 THR108 -0.3900 1717 CG2 10.3973 26.4669 22.4204 C.3 108 THR108 -0.0370 1718 H 11.0810 26.8030 19.6850 H 108 THR108 0.1313 1719 HA 10.8133 29.5830 20.8202 H 108 THR108 0.0583 1720 HB 9.0967 28.0116 21.7507 H 108 THR108 0.0611 1721 HG1 10.1629 29.5793 23.1808 H 108 THR108 0.2098 1722 HG21 9.6967 26.1042 23.1726 H 108 THR108 0.0255 1723 HG22 11.4003 26.3189 22.8216 H 108 THR108 0.0255 1724 HG23 10.2897 25.8320 21.5416 H 108 THR108 0.0255 1725 N 12.9440 29.4650 22.1470 N.am 109 ARG109 -0.2456 1726 CA 14.2440 29.4600 22.8110 C.3 109 ARG109 0.0879 1727 C 14.0420 29.1260 24.2870 C.2 109 ARG109 0.2187 1728 O 15.0030 28.9670 25.0330 O.2 109 ARG109 -0.2778 1729 CB 14.9262 30.8401 22.6512 C.3 109 ARG109 -0.0258 1730 CG 15.3199 31.1688 21.1968 C.3 109 ARG109 -0.0154 1731 CD 14.2702 31.9741 20.4179 C.3 109 ARG109 0.1045 1732 NE 14.3953 33.4156 20.6778 N.pl3 109 ARG109 -0.4450 1733 CZ 13.4359 34.3073 20.4325 C.cat 109 ARG109 0.5062 1734 NH1 12.2262 33.9428 20.1148 N.pl3 109 ARG109 -0.4573 1735 NH2 13.7044 35.5830 20.5199 N.pl3 109 ARG109 -0.4573 1736 H 12.3560 30.2940 22.2330 H 109 ARG109 0.1312 1737 HA 14.8680 28.6760 22.3787 H 109 ARG109 0.0557 1738 HB1 15.8369 30.8442 23.2523 H 109 ARG109 0.0286 1739 HB2 14.2958 31.6309 23.0620 H 109 ARG109 0.0286 1740 HG1 15.5248 30.2363 20.6774 H 109 ARG109 0.0299 1741 HG2 16.2623 31.7113 21.1666 H 109 ARG109 0.0299 1742 HD1 13.2719 31.6177 20.6458 H 109 ARG109 0.0711 1743 HD2 14.4117 31.8435 19.3449 H 109 ARG109 0.0711 1744 HE 15.2373 33.8102 21.0421 H 109 ARG109 0.3153 1745 HH11 11.5612 34.5859 19.7543 H 109 ARG109 0.3114 1746 HH12 11.9575 32.9839 20.2708 H 109 ARG109 0.3114 1747 HH21 13.0046 36.2665 20.3319 H 109 ARG109 0.3114 1748 HH22 14.6218 35.8792 20.7874 H 109 ARG109 0.3114 1749 N 12.7820 29.0330 24.7010 N.am 110 ARG110 -0.2457 1750 CA 12.4350 28.7340 26.0900 C.3 110 ARG110 0.0879 1751 C 12.3080 27.2260 26.3470 C.2 110 ARG110 0.2187 1752 O 12.5720 26.4040 25.4740 O.2 110 ARG110 -0.2778 1753 CB 11.0736 29.3823 26.3821 C.3 110 ARG110 -0.0258 1754 CG 11.0139 30.8932 26.1097 C.3 110 ARG110 -0.0154 1755 CD 9.5685 31.3926 26.1394 C.3 110 ARG110 0.1045 1756 NE 8.9458 30.9954 27.4044 N.pl3 110 ARG110 -0.4450 1757 CZ 7.6593 30.7049 27.5555 C.cat 110 ARG110 0.5062 1758 NH1 6.8194 30.7741 26.5650 N.pl3 110 ARG110 -0.4573 1759 NH2 7.2199 30.3430 28.7223 N.pl3 110 ARG110 -0.4573 1760 H 12.0300 29.1750 24.0260 H 110 ARG110 0.1312 1761 HA 13.2079 29.1438 26.7418 H 110 ARG110 0.0557 1762 HB1 10.8017 29.2039 27.4227 H 110 ARG110 0.0286 1763 HB2 10.3077 28.8830 25.7867 H 110 ARG110 0.0286 1764 HG1 11.4395 31.1363 25.1361 H 110 ARG110 0.0299 1765 HG2 11.6150 31.4248 26.8472 H 110 ARG110 0.0299 1766 HD1 9.0185 30.9456 25.3123 H 110 ARG110 0.0711 1767 HD2 9.5152 32.4788 26.0419 H 110 ARG110 0.0711 1768 HE 9.5134 30.9144 28.2198 H 110 ARG110 0.3153 1769 HH11 5.8481 30.5947 26.7596 H 110 ARG110 0.3114 1770 HH12 7.1316 30.9916 25.6459 H 110 ARG110 0.3114 1771 HH21 6.2277 30.2027 28.8397 H 110 ARG110 0.3114 1772 HH22 7.8224 30.1966 29.4979 H 110 ARG110 0.3114 1773 N 11.9040 26.8670 27.5540 N.am 111 GLU111 -0.2456 1774 CA 11.7280 25.4630 27.9040 C.3 111 GLU111 0.0883 1775 C 10.5450 24.8830 27.1290 C.2 111 GLU111 0.2187 1776 O 9.4350 25.4080 27.2110 O.2 111 GLU111 -0.2778 1777 CB 11.5583 25.3985 29.4329 C.3 111 GLU111 -0.0193 1778 CG 11.8947 24.0325 30.0430 C.3 111 GLU111 0.0356 1779 CD 10.8594 22.9969 29.6298 C.2 111 GLU111 0.1760 1780 OE1 9.7462 23.0565 30.1328 O.co2 111 GLU111 -0.6478 1781 OE2 11.1728 22.1477 28.8076 O.co2 111 GLU111 -0.6478 1782 H 11.7120 27.5850 28.2520 H 111 GLU111 0.1312 1783 HA 12.6397 24.9383 27.6094 H 111 GLU111 0.0557 1784 HB1 10.5539 25.7116 29.7232 H 111 GLU111 0.0290 1785 HB2 12.2358 26.1221 29.8855 H 111 GLU111 0.0290 1786 HG1 11.8962 24.0882 31.1307 H 111 GLU111 0.0374 1787 HG2 12.8851 23.6974 29.7347 H 111 GLU111 0.0374 1788 N 10.7790 23.8080 26.3720 N.am 112 VAL112 -0.2454 1789 CA 9.7640 23.2790 25.4490 C.3 112 VAL112 0.0901 1790 C 8.4580 22.8360 26.0800 C.2 112 VAL112 0.2189 1791 O 7.4000 23.0340 25.4920 O.2 112 VAL112 -0.2778 1792 CB 10.3101 22.0780 24.6399 C.3 112 VAL112 -0.0227 1793 CG1 11.3599 22.5365 23.6424 C.3 112 VAL112 -0.0608 1794 CG2 10.8670 20.9346 25.5073 C.3 112 VAL112 -0.0608 1795 H 11.6840 23.3420 26.4360 H 112 VAL112 0.1312 1796 HA 9.5234 24.0979 24.7704 H 112 VAL112 0.0560 1797 HB 9.4953 21.6645 24.0418 H 112 VAL112 0.0315 1798 HG11 11.6555 21.7259 22.9760 H 112 VAL112 0.0233 1799 HG12 12.2496 22.8887 24.1661 H 112 VAL112 0.0233 1800 HG13 10.9704 23.3471 23.0254 H 112 VAL112 0.0233 1801 HG21 11.2552 20.1303 24.8834 H 112 VAL112 0.0233 1802 HG22 10.1037 20.4952 26.1467 H 112 VAL112 0.0233 1803 HG23 11.6816 21.2738 26.1480 H 112 VAL112 0.0233 1804 N 8.5320 22.2040 27.2480 N.am 113 HIS113 -0.2453 1805 CA 7.3310 21.7380 27.9270 C.3 113 HIS113 0.0932 1806 C 6.4630 22.9070 28.3690 C.2 113 HIS113 0.2190 1807 O 5.2360 22.8740 28.2230 O.2 113 HIS113 -0.2778 1808 CB 7.6478 20.8108 29.1105 C.3 113 HIS113 0.0146 1809 CG 8.5530 19.6784 28.6813 C.ar 113 HIS113 0.0551 1810 ND1 8.2104 18.7124 27.7984 N.ar 113 HIS113 -0.2469 1811 CD2 9.8540 19.4152 29.1365 C.ar 113 HIS113 0.0047 1812 CE1 9.2894 17.9148 27.6947 C.ar 113 HIS113 0.0737 1813 NE2 10.2915 18.3065 28.4984 N.ar 113 HIS113 -0.2539 1814 H 9.4440 22.0430 27.6750 H 113 HIS113 0.1312 1815 HA 6.7651 21.1694 27.1880 H 113 HIS113 0.0561 1816 HB1 6.7282 20.3847 29.5106 H 113 HIS113 0.0348 1817 HB2 8.1180 21.3471 29.9303 H 113 HIS113 0.0348 1818 HD2 10.4038 20.0178 29.8457 H 113 HIS113 0.0764 1819 HE1 9.3524 17.0602 27.0382 H 113 HIS113 0.0963 1820 HE2 11.1802 17.9047 28.5839 H 113 HIS113 0.1339 1821 N 7.0890 23.9380 28.9250 N.am 114 ILE114 -0.2454 1822 CA 6.3230 25.0920 29.3770 C.3 114 ILE114 0.0903 1823 C 5.7150 25.7950 28.1650 C.2 114 ILE114 0.2189 1824 O 4.5370 26.1140 28.1620 O.2 114 ILE114 -0.2778 1825 CB 7.2054 26.0478 30.2111 C.3 114 ILE114 -0.0201 1826 CG1 7.6783 25.4053 31.5303 C.3 114 ILE114 -0.0514 1827 CG2 6.5224 27.4013 30.4876 C.3 114 ILE114 -0.0605 1828 CD1 6.5574 25.1011 32.5340 C.3 114 ILE114 -0.0650 1829 H 8.1030 23.9220 29.0350 H 114 ILE114 0.1312 1830 HA 5.4965 24.7204 29.9825 H 114 ILE114 0.0560 1831 HB 8.1012 26.2526 29.6220 H 114 ILE114 0.0318 1832 HG11 8.4097 26.0600 32.0042 H 114 ILE114 0.0266 1833 HG12 8.2092 24.4803 31.3208 H 114 ILE114 0.0266 1834 HG21 7.1440 28.0327 31.1220 H 114 ILE114 0.0233 1835 HG22 5.5617 27.2676 30.9848 H 114 ILE114 0.0233 1836 HG23 6.3333 27.9512 29.5668 H 114 ILE114 0.0233 1837 HD11 6.9710 24.6609 33.4414 H 114 ILE114 0.0230 1838 HD12 5.8383 24.3893 32.1302 H 114 ILE114 0.0230 1839 HD13 6.0190 26.0025 32.8243 H 114 ILE114 0.0230 1840 N 6.5270 26.0170 27.1340 N.am 115 TYR115 -0.2453 1841 CA 6.0350 26.6280 25.9030 C.3 115 TYR115 0.0917 1842 C 4.8410 25.8430 25.3490 C.2 115 TYR115 0.2190 1843 O 3.8130 26.4260 24.9680 O.2 115 TYR115 -0.2778 1844 CB 7.1849 26.6833 24.8857 C.3 115 TYR115 -0.0036 1845 CG 6.8371 27.5364 23.6940 C.ar 115 TYR115 -0.0453 1846 CD1 7.2227 28.8710 23.6517 C.ar 115 TYR115 -0.0561 1847 CD2 6.1353 27.0046 22.6184 C.ar 115 TYR115 -0.0561 1848 CE1 6.9430 29.6565 22.5414 C.ar 115 TYR115 -0.0317 1849 CE2 5.8287 27.7943 21.5188 C.ar 115 TYR115 -0.0317 1850 CZ 6.2425 29.1162 21.4736 C.ar 115 TYR115 0.0726 1851 OH 5.9687 29.8860 20.3613 O.3 115 TYR115 -0.3598 1852 H 7.5100 25.7560 27.2060 H 115 TYR115 0.1312 1853 HA 5.7009 27.6323 26.1675 H 115 TYR115 0.0560 1854 HB1 7.4604 25.6803 24.5551 H 115 TYR115 0.0333 1855 HB2 8.0784 27.0909 25.3614 H 115 TYR115 0.0333 1856 HD1 7.7975 29.2816 24.4661 H 115 TYR115 0.0621 1857 HD2 5.8273 25.9692 22.6437 H 115 TYR115 0.0621 1858 HE1 7.2954 30.6772 22.5018 H 115 TYR115 0.0643 1859 HE2 5.2848 27.3744 20.6896 H 115 TYR115 0.0643 1860 HH 6.6722 30.5247 20.2713 H 115 TYR115 0.2173 1861 N 4.9720 24.5160 25.3360 N.am 116 TYR116 -0.2453 1862 CA 3.8970 23.6590 24.8560 C.3 116 TYR116 0.0917 1863 C 2.6330 23.8910 25.6670 C.2 116 TYR116 0.2190 1864 O 1.5450 24.0470 25.1090 O.2 116 TYR116 -0.2778 1865 CB 4.3438 22.1858 24.9294 C.3 116 TYR116 -0.0036 1866 CG 3.2139 21.2113 24.6944 C.ar 116 TYR116 -0.0453 1867 CD1 2.7478 20.9400 23.4099 C.ar 116 TYR116 -0.0561 1868 CD2 2.6153 20.5704 25.7756 C.ar 116 TYR116 -0.0561 1869 CE1 1.7133 20.0321 23.2113 C.ar 116 TYR116 -0.0317 1870 CE2 1.5679 19.6808 25.5809 C.ar 116 TYR116 -0.0317 1871 CZ 1.1169 19.4090 24.2978 C.ar 116 TYR116 0.0726 1872 OH 0.0748 18.5238 24.1078 O.3 116 TYR116 -0.3598 1873 H 5.8390 24.0940 25.6680 H 116 TYR116 0.1312 1874 HA 3.6889 23.9436 23.8243 H 116 TYR116 0.0560 1875 HB1 4.7841 21.9821 25.9058 H 116 TYR116 0.0333 1876 HB2 5.1379 21.9957 24.2077 H 116 TYR116 0.0333 1877 HD1 3.1971 21.4241 22.5573 H 116 TYR116 0.0621 1878 HD2 2.9607 20.7726 26.7794 H 116 TYR116 0.0621 1879 HE1 1.3678 19.8056 22.2140 H 116 TYR116 0.0643 1880 HE2 1.1087 19.1974 26.4298 H 116 TYR116 0.0643 1881 HH -0.2507 18.2460 24.9537 H 116 TYR116 0.2173 1882 N 2.7790 23.8850 26.9880 N.am 117 LEU117 -0.2456 1883 CA 1.6350 24.0180 27.8930 C.3 117 LEU117 0.0880 1884 C 0.9440 25.3750 27.7480 C.2 117 LEU117 0.2187 1885 O -0.2800 25.4720 27.7950 O.2 117 LEU117 -0.2778 1886 CB 2.1134 23.7936 29.3372 C.3 117 LEU117 -0.0266 1887 CG 2.5013 22.3323 29.6339 C.3 117 LEU117 -0.0449 1888 CD1 3.3497 22.2431 30.9088 C.3 117 LEU117 -0.0626 1889 CD2 1.2688 21.4236 29.7394 C.3 117 LEU117 -0.0626 1890 H 3.7140 23.7850 27.3830 H 117 LEU117 0.1312 1891 HA 0.9122 23.2548 27.6051 H 117 LEU117 0.0557 1892 HB1 1.3453 24.1025 30.0476 H 117 LEU117 0.0287 1893 HB2 2.9710 24.4428 29.5215 H 117 LEU117 0.0287 1894 HG 3.1122 21.9549 28.8157 H 117 LEU117 0.0296 1895 HD11 3.6510 21.2147 31.1088 H 117 LEU117 0.0232 1896 HD12 2.8001 22.6079 31.7766 H 117 LEU117 0.0232 1897 HD13 4.2599 22.8364 30.8156 H 117 LEU117 0.0232 1898 HD21 1.5618 20.3971 29.9607 H 117 LEU117 0.0232 1899 HD22 0.7025 21.4048 28.8089 H 117 LEU117 0.0232 1900 HD23 0.6006 21.7574 30.5335 H 117 LEU117 0.0232 1901 N 1.7380 26.4200 27.5500 N.am 118 GLU118 -0.2456 1902 CA 1.1950 27.7500 27.3010 C.3 118 GLU118 0.0883 1903 C 0.3940 27.7870 25.9950 C.2 118 GLU118 0.2187 1904 O -0.7300 28.3030 25.9590 O.2 118 GLU118 -0.2778 1905 CB 2.3361 28.7899 27.2225 C.3 118 GLU118 -0.0193 1906 CG 3.0219 29.0593 28.5737 C.3 118 GLU118 0.0356 1907 CD 4.0414 30.2231 28.5469 C.2 118 GLU118 0.1760 1908 OE1 4.2638 30.8713 27.5246 O.co2 118 GLU118 -0.6478 1909 OE2 4.6377 30.5060 29.5775 O.co2 118 GLU118 -0.6478 1910 H 2.7490 26.2900 27.5720 H 118 GLU118 0.1312 1911 HA 0.5200 27.9867 28.1247 H 118 GLU118 0.0557 1912 HB1 1.9327 29.7347 26.8545 H 118 GLU118 0.0290 1913 HB2 3.0828 28.4714 26.4936 H 118 GLU118 0.0290 1914 HG1 3.5357 28.1693 28.9311 H 118 GLU118 0.0374 1915 HG2 2.2718 29.3042 29.3245 H 118 GLU118 0.0374 1916 N 0.9630 27.2220 24.9300 N.am 119 LYS119 -0.2457 1917 CA 0.2650 27.1870 23.6430 C.3 119 LYS119 0.0878 1918 C -1.0420 26.4070 23.7580 C.2 119 LYS119 0.2187 1919 O -2.0880 26.8640 23.2990 O.2 119 LYS119 -0.2778 1920 CB 1.1799 26.5257 22.5781 C.3 119 LYS119 -0.0289 1921 CG 2.2446 27.4333 21.9107 C.3 119 LYS119 -0.0496 1922 CD 1.6578 28.4096 20.8647 C.3 119 LYS119 -0.0278 1923 CE 2.5506 28.7286 19.6387 C.3 119 LYS119 0.1103 1924 NZ 3.4251 29.9036 19.7357 N.4 119 LYS119 -0.0749 1925 H 1.8930 26.8100 25.0120 H 119 LYS119 0.1312 1926 HA 0.0230 28.2134 23.3655 H 119 LYS119 0.0557 1927 HB1 0.5756 26.0858 21.7823 H 119 LYS119 0.0285 1928 HB2 1.6860 25.6780 23.0434 H 119 LYS119 0.0285 1929 HG1 2.9529 26.7726 21.4102 H 119 LYS119 0.0266 1930 HG2 2.8210 27.9694 22.6660 H 119 LYS119 0.0266 1931 HD1 1.3351 29.3272 21.3556 H 119 LYS119 0.0282 1932 HD2 0.7489 27.9521 20.4706 H 119 LYS119 0.0282 1933 HE1 1.8952 28.9162 18.7850 H 119 LYS119 0.0559 1934 HE2 3.1592 27.8659 19.3615 H 119 LYS119 0.0559 1935 HZ1 3.8489 30.1237 18.8043 H 119 LYS119 0.2742 1936 HZ2 4.1898 29.7545 20.4253 H 119 LYS119 0.2742 1937 HZ3 2.8772 30.7496 19.9812 H 119 LYS119 0.2742 1938 N -0.9730 25.2440 24.3970 N.am 120 ALA120 -0.2459 1939 CA -2.1270 24.3770 24.5750 C.3 120 ALA120 0.0850 1940 C -3.1900 25.0120 25.4460 C.2 120 ALA120 0.2184 1941 O -4.3710 24.6940 25.3180 O.2 120 ALA120 -0.2778 1942 CB -1.6348 23.0708 25.2098 C.3 120 ALA120 -0.0411 1943 H -0.0740 24.9480 24.7780 H 120 ALA120 0.1312 1944 HA -2.5393 24.1662 23.5933 H 120 ALA120 0.0554 1945 HB1 -2.4480 22.3544 25.3302 H 120 ALA120 0.0249 1946 HB2 -1.1897 23.2476 26.1900 H 120 ALA120 0.0249 1947 HB3 -0.8723 22.6019 24.5871 H 120 ALA120 0.0249 1948 N -2.7640 25.8900 26.3480 N.am 121 ASN121 -0.2452 1949 CA -3.7080 26.6190 27.1800 C.3 121 ASN121 0.0957 1950 C -4.4150 27.6750 26.3490 C.2 121 ASN121 0.2191 1951 O -5.6300 27.8290 26.4290 O.2 121 ASN121 -0.2778 1952 CB -2.9566 27.2225 28.3781 C.3 121 ASN121 0.0446 1953 CG -3.9286 27.7937 29.4219 C.2 121 ASN121 0.2000 1954 OD1 -5.1402 27.6179 29.3452 O.2 121 ASN121 -0.2797 1955 ND2 -3.3232 28.4850 30.3972 N.am 121 ASN121 -0.2723 1956 H -1.7630 26.0540 26.4580 H 121 ASN121 0.1312 1957 HA -4.4445 25.8925 27.5287 H 121 ASN121 0.0562 1958 HB1 -2.2629 28.0017 28.0610 H 121 ASN121 0.0375 1959 HB2 -2.3632 26.4516 28.8693 H 121 ASN121 0.0375 1960 HD21 -3.8568 28.9033 31.1317 H 121 ASN121 0.1266 1961 HD22 -2.3288 28.5925 30.4141 H 121 ASN121 0.1266 1962 N -3.6460 28.3960 25.5380 N.am 122 LYS122 -0.2456 1963 CA -4.2190 29.4900 24.7610 C.3 122 LYS122 0.0878 1964 C -5.1040 29.0460 23.5920 C.2 122 LYS122 0.2187 1965 O -6.0990 29.7050 23.2940 O.2 122 LYS122 -0.2778 1966 CB -3.1392 30.4746 24.2802 C.3 122 LYS122 -0.0289 1967 CG -3.7691 31.6492 23.5021 C.3 122 LYS122 -0.0496 1968 CD -2.9068 32.9103 23.4057 C.3 122 LYS122 -0.0278 1969 CE -3.6692 34.0272 22.6743 C.3 122 LYS122 0.1103 1970 NZ -3.0318 35.3409 22.7750 N.4 122 LYS122 -0.0749 1971 H -2.6510 28.1830 25.4590 H 122 LYS122 0.1312 1972 HA -4.8722 30.0355 25.4448 H 122 LYS122 0.0557 1973 HB1 -2.4009 29.9598 23.6639 H 122 LYS122 0.0285 1974 HB2 -2.6017 30.8507 25.1511 H 122 LYS122 0.0285 1975 HG1 -4.7074 31.9239 23.9867 H 122 LYS122 0.0266 1976 HG2 -4.0383 31.3167 22.4979 H 122 LYS122 0.0266 1977 HD1 -1.9704 32.6862 22.8932 H 122 LYS122 0.0282 1978 HD2 -2.6452 33.2370 24.4129 H 122 LYS122 0.0282 1979 HE1 -4.6786 34.1217 23.0815 H 122 LYS122 0.0559 1980 HE2 -3.7812 33.7758 21.6174 H 122 LYS122 0.0559 1981 HZ1 -3.5868 36.0429 22.2433 H 122 LYS122 0.2742 1982 HZ2 -2.0678 35.2986 22.3874 H 122 LYS122 0.2742 1983 HZ3 -2.9860 35.6334 23.7728 H 122 LYS122 0.2742 1984 N -4.7500 27.9440 22.9310 N.am 123 ILE123 -0.2454 1985 CA -5.5210 27.4920 21.7720 C.3 123 ILE123 0.0903 1986 C -6.9880 27.2740 22.1280 C.2 123 ILE123 0.2189 1987 O -7.8740 27.6210 21.3450 O.2 123 ILE123 -0.2778 1988 CB -4.8364 26.3576 20.9779 C.3 123 ILE123 -0.0201 1989 CG1 -4.3447 25.1768 21.8293 C.3 123 ILE123 -0.0514 1990 CG2 -3.6520 26.9284 20.1778 C.3 123 ILE123 -0.0605 1991 CD1 -5.4203 24.2069 22.2950 C.3 123 ILE123 -0.0650 1992 H -3.9350 27.4110 23.2360 H 123 ILE123 0.1312 1993 HA -5.5459 28.3575 21.1075 H 123 ILE123 0.0560 1994 HB -5.5445 25.9753 20.2406 H 123 ILE123 0.0318 1995 HG11 -3.8163 25.5389 22.6979 H 123 ILE123 0.0266 1996 HG12 -3.6254 24.6101 21.2395 H 123 ILE123 0.0266 1997 HG21 -3.2009 26.1649 19.5430 H 123 ILE123 0.0233 1998 HG22 -2.8743 27.3068 20.8408 H 123 ILE123 0.0233 1999 HG23 -3.9657 27.7460 19.5281 H 123 ILE123 0.0233 2000 HD11 -4.9832 23.2526 22.5895 H 123 ILE123 0.0230 2001 HD12 -6.1152 24.0275 21.4842 H 123 ILE123 0.0230 2002 HD13 -5.9656 24.5858 23.1551 H 123 ILE123 0.0230 2003 N -7.2310 26.7470 23.3280 N.am 124 LYS124 -0.2456 2004 CA -8.5850 26.4200 23.7760 C.3 124 LYS124 0.0878 2005 C -9.3280 25.6550 22.6830 C.2 124 LYS124 0.2187 2006 O -10.4770 25.9590 22.3580 O.2 124 LYS124 -0.2778 2007 CB -9.3446 27.6877 24.2171 C.3 124 LYS124 -0.0289 2008 CG -8.9438 28.1865 25.6122 C.3 124 LYS124 -0.0496 2009 CD -9.4150 27.2453 26.7408 C.3 124 LYS124 -0.0278 2010 CE -8.2884 26.4374 27.4002 C.3 124 LYS124 0.1103 2011 NZ -7.4365 27.2793 28.2355 N.4 124 LYS124 -0.0749 2012 H -6.4470 26.5660 23.9550 H 124 LYS124 0.1312 2013 HA -8.4720 25.7232 24.6037 H 124 LYS124 0.0557 2014 HB1 -10.4208 27.5082 24.2306 H 124 LYS124 0.0285 2015 HB2 -9.1896 28.4796 23.4831 H 124 LYS124 0.0285 2016 HG1 -9.4113 29.1612 25.7594 H 124 LYS124 0.0266 2017 HG2 -7.8714 28.3691 25.6543 H 124 LYS124 0.0266 2018 HD1 -10.1695 26.5575 26.3550 H 124 LYS124 0.0282 2019 HD2 -9.9290 27.8269 27.5075 H 124 LYS124 0.0282 2020 HE1 -7.6602 25.9426 26.6568 H 124 LYS124 0.0559 2021 HE2 -8.7118 25.6564 28.0354 H 124 LYS124 0.0559 2022 HZ1 -6.6961 26.7107 28.6965 H 124 LYS124 0.2742 2023 HZ2 -8.0018 27.7600 28.9622 H 124 LYS124 0.2742 2024 HZ3 -6.9576 27.9886 27.6427 H 124 LYS124 0.2742 2025 N -8.6380 24.6750 22.1090 N.am 125 SER125 -0.2436 2026 CA -9.1340 23.9150 20.9720 C.3 125 SER125 0.1109 2027 C -8.4870 22.5320 20.9540 C.2 125 SER125 0.2209 2028 O -7.3480 22.3740 20.5110 O.2 125 SER125 -0.2777 2029 CB -8.8943 24.6998 19.6695 C.3 125 SER125 0.0681 2030 OG -10.0518 24.6285 18.8382 O.3 125 SER125 -0.3930 2031 H -7.7180 24.4450 22.4830 H 125 SER125 0.1312 2032 HA -10.2045 23.7724 21.1370 H 125 SER125 0.0580 2033 HB1 -7.9910 24.3416 19.1565 H 125 SER125 0.0577 2034 HB2 -8.7105 25.7507 19.9107 H 125 SER125 0.0577 2035 HG -9.8387 24.9328 17.9582 H 125 SER125 0.2095 2036 N -9.2240 21.5280 21.4200 N.am 126 GLU126 -0.2456 2037 CA -8.7240 20.1530 21.4760 C.3 126 GLU126 0.0883 2038 C -8.5000 19.5480 20.0870 C.2 126 GLU126 0.2187 2039 O -8.0570 18.4050 19.9510 O.2 126 GLU126 -0.2778 2040 CB -9.6776 19.3301 22.3775 C.3 126 GLU126 -0.0193 2041 CG -11.1928 19.3830 22.0484 C.3 126 GLU126 0.0356 2042 CD -11.8901 20.7404 22.3206 C.2 126 GLU126 0.1760 2043 OE1 -11.4816 21.4752 23.2115 O.co2 126 GLU126 -0.6478 2044 OE2 -12.8344 21.0756 21.6201 O.co2 126 GLU126 -0.6478 2045 H -10.1700 21.7220 21.7500 H 126 GLU126 0.1312 2046 HA -7.7469 20.1974 21.9593 H 126 GLU126 0.0557 2047 HB1 -9.5458 19.6602 23.4087 H 126 GLU126 0.0290 2048 HB2 -9.3557 18.2885 22.3704 H 126 GLU126 0.0290 2049 HG1 -11.7163 18.6422 22.6513 H 126 GLU126 0.0374 2050 HG2 -11.3567 19.1061 21.0081 H 126 GLU126 0.0374 2051 N -8.8040 20.3360 19.0640 N.am 127 LYS127 -0.2457 2052 CA -8.7340 19.9120 17.6770 C.3 127 LYS127 0.0878 2053 C -7.3400 20.1130 17.0770 C.2 127 LYS127 0.2187 2054 O -6.7170 19.1570 16.6130 O.2 127 LYS127 -0.2778 2055 CB -9.8138 20.5330 16.7889 C.3 127 LYS127 -0.0289 2056 CG -10.1100 22.0008 17.1034 C.3 127 LYS127 -0.0496 2057 CD -11.5459 22.1621 17.5931 C.3 127 LYS127 -0.0278 2058 CE -11.8822 21.4654 18.9234 C.3 127 LYS127 0.1103 2059 NZ -13.3211 21.3094 19.1387 N.4 127 LYS127 -0.0749 2060 H -9.1030 21.2910 19.2620 H 127 LYS127 0.1312 2061 HA -8.8975 18.8321 17.6684 H 127 LYS127 0.0557 2062 HB1 -10.7219 19.9371 16.8884 H 127 LYS127 0.0285 2063 HB2 -9.5463 20.4283 15.7356 H 127 LYS127 0.0285 2064 HG1 -9.9858 22.5876 16.1919 H 127 LYS127 0.0266 2065 HG2 -9.4021 22.4212 17.8146 H 127 LYS127 0.0266 2066 HD1 -12.1896 21.7531 16.8219 H 127 LYS127 0.0282 2067 HD2 -11.7651 23.2233 17.6569 H 127 LYS127 0.0282 2068 HE1 -11.4681 22.0353 19.7555 H 127 LYS127 0.0559 2069 HE2 -11.4517 20.4662 18.9772 H 127 LYS127 0.0559 2070 HZ1 -13.5276 20.9289 20.0840 H 127 LYS127 0.2742 2071 HZ2 -13.7571 20.7152 18.4051 H 127 LYS127 0.2742 2072 HZ3 -13.8215 22.2135 19.0065 H 127 LYS127 0.2742 2073 N -6.8580 21.3560 17.1040 N.am 128 THR128 -0.2434 2074 CA -5.5690 21.7230 16.5260 C.3 128 THR128 0.1135 2075 C -4.4090 20.9820 17.1940 C.2 128 THR128 0.2212 2076 O -4.2830 20.9750 18.4150 O.2 128 THR128 -0.2777 2077 CB -5.3542 23.2455 16.6501 C.3 128 THR128 0.0763 2078 OG1 -6.5093 23.8978 16.1420 O.3 128 THR128 -0.3900 2079 CG2 -4.0958 23.7205 15.8912 C.3 128 THR128 -0.0370 2080 H -7.4160 22.0840 17.5490 H 128 THR128 0.1313 2081 HA -5.6152 21.4459 15.4715 H 128 THR128 0.0583 2082 HB -5.2508 23.4831 17.7167 H 128 THR128 0.0611 2083 HG1 -6.4048 24.8426 16.2012 H 128 THR128 0.2098 2084 HG21 -3.9191 24.7889 16.0184 H 128 THR128 0.0255 2085 HG22 -4.1860 23.5245 14.8229 H 128 THR128 0.0255 2086 HG23 -3.1976 23.2133 16.2437 H 128 THR128 0.0255 2087 N -3.5750 20.3480 16.3780 N.am 129 HIS129 -0.2452 2088 CA -2.4430 19.5760 16.8680 C.3 129 HIS129 0.0932 2089 C -1.2880 20.5320 17.0800 C.2 129 HIS129 0.2190 2090 O -1.0400 21.3900 16.2510 O.2 129 HIS129 -0.2778 2091 CB -2.1246 18.5356 15.7902 C.3 129 HIS129 0.0146 2092 CG -0.9675 17.6642 16.2073 C.ar 129 HIS129 0.0551 2093 ND1 -1.0873 16.5863 17.0150 N.ar 129 HIS129 -0.2469 2094 CD2 0.3780 17.8057 15.8309 C.ar 129 HIS129 0.0047 2095 CE1 0.1575 16.0832 17.1095 C.ar 129 HIS129 0.0737 2096 NE2 1.0567 16.7994 16.4170 N.ar 129 HIS129 -0.2539 2097 H -3.7330 20.4040 15.3720 H 129 HIS129 0.1312 2098 HA -2.7199 19.0993 17.8102 H 129 HIS129 0.0561 2099 HB1 -1.8905 19.0202 14.8429 H 129 HIS129 0.0348 2100 HB2 -2.9953 17.9063 15.6170 H 129 HIS129 0.0348 2101 HD2 0.7894 18.5673 15.1846 H 129 HIS129 0.0764 2102 HE1 0.4210 15.1867 17.6493 H 129 HIS129 0.0963 2103 HE2 2.0114 16.5883 16.3267 H 129 HIS129 0.1339 2104 N -0.5680 20.3810 18.1770 N.am 130 ILE130 -0.2454 2105 CA 0.5110 21.3050 18.4740 C.3 130 ILE130 0.0903 2106 C 1.8530 20.6110 18.3660 C.2 130 ILE130 0.2189 2107 O 2.0520 19.5330 18.9130 O.2 130 ILE130 -0.2778 2108 CB 0.3400 21.8848 19.8991 C.3 130 ILE130 -0.0201 2109 CG1 -1.0629 22.4810 20.1374 C.3 130 ILE130 -0.0514 2110 CG2 1.4240 22.9299 20.2246 C.3 130 ILE130 -0.0605 2111 CD1 -1.3703 22.6498 21.6285 C.3 130 ILE130 -0.0650 2112 H -0.7710 19.6130 18.8170 H 130 ILE130 0.1312 2113 HA 0.4990 22.1379 17.7689 H 130 ILE130 0.0560 2114 HB 0.4690 21.0649 20.6033 H 130 ILE130 0.0318 2115 HG11 -1.8419 21.8452 19.7199 H 130 ILE130 0.0266 2116 HG12 -1.1609 23.4368 19.6215 H 130 ILE130 0.0266 2117 HG21 1.3123 23.3222 21.2353 H 130 ILE130 0.0233 2118 HG22 1.3806 23.7711 19.5323 H 130 ILE130 0.0233 2119 HG23 2.4230 22.4992 20.1656 H 130 ILE130 0.0233 2120 HD11 -2.4231 22.8797 21.7778 H 130 ILE130 0.0230 2121 HD12 -0.7809 23.4520 22.0719 H 130 ILE130 0.0230 2122 HD13 -1.1616 21.7332 22.1811 H 130 ILE130 0.0230 2123 N 2.7800 21.2200 17.6480 N.am 131 HIS131 -0.2453 2124 CA 4.1020 20.6420 17.5370 C.3 131 HIS131 0.0932 2125 C 5.1460 21.7230 17.7820 C.2 131 HIS131 0.2190 2126 O 5.2630 22.6780 17.0120 O.2 131 HIS131 -0.2778 2127 CB 4.2705 19.9970 16.1491 C.3 131 HIS131 0.0146 2128 CG 5.4445 19.0363 16.1070 C.ar 131 HIS131 0.0551 2129 ND1 5.3578 17.8006 15.5706 N.ar 131 HIS131 -0.2469 2130 CD2 6.7718 19.2285 16.5379 C.ar 131 HIS131 0.0047 2131 CE1 6.5754 17.2499 15.7079 C.ar 131 HIS131 0.0737 2132 NE2 7.4493 18.0854 16.2904 N.ar 131 HIS131 -0.2539 2133 H 2.5640 22.0960 17.1730 H 131 HIS131 0.1312 2134 HA 4.2385 19.8771 18.3055 H 131 HIS131 0.0561 2135 HB1 4.3899 20.7447 15.3686 H 131 HIS131 0.0348 2136 HB2 3.3700 19.4328 15.9033 H 131 HIS131 0.0348 2137 HD2 7.1975 20.1134 16.9847 H 131 HIS131 0.0764 2138 HE1 6.8251 16.2457 15.4054 H 131 HIS131 0.0963 2139 HE2 8.3938 17.8958 16.4902 H 131 HIS131 0.1339 2140 N 5.9060 21.5580 18.8640 N.am 132 ILE132 -0.2454 2141 CA 6.9090 22.5260 19.3000 C.3 132 ILE132 0.0903 2142 C 8.3320 22.0380 19.0030 C.2 132 ILE132 0.2189 2143 O 8.6720 20.8840 19.2770 O.2 132 ILE132 -0.2778 2144 CB 6.7538 22.7631 20.8207 C.3 132 ILE132 -0.0201 2145 CG1 5.2966 23.0421 21.2365 C.3 132 ILE132 -0.0514 2146 CG2 7.6971 23.8634 21.3462 C.3 132 ILE132 -0.0605 2147 CD1 4.6427 24.2182 20.5044 C.3 132 ILE132 -0.0650 2148 H 5.7810 20.7100 19.4170 H 132 ILE132 0.1312 2149 HA 6.7413 23.4616 18.7661 H 132 ILE132 0.0560 2150 HB 7.0358 21.8391 21.3301 H 132 ILE132 0.0318 2151 HG11 5.2723 23.2359 22.3077 H 132 ILE132 0.0266 2152 HG12 4.6932 22.1476 21.0838 H 132 ILE132 0.0266 2153 HG21 7.5455 24.0350 22.4128 H 132 ILE132 0.0233 2154 HG22 7.5384 24.8093 20.8284 H 132 ILE132 0.0233 2155 HG23 8.7450 23.5905 21.2168 H 132 ILE132 0.0233 2156 HD11 3.6684 24.4471 20.9355 H 132 ILE132 0.0230 2157 HD12 4.4966 24.0037 19.4461 H 132 ILE132 0.0230 2158 HD13 5.2561 25.1099 20.5847 H 132 ILE132 0.0230 2159 N 9.1550 22.9320 18.4590 N.am 133 PHE133 -0.2453 2160 CA 10.5830 22.7050 18.2690 C.3 133 PHE133 0.0917 2161 C 11.3660 23.7380 19.0870 C.2 133 PHE133 0.2191 2162 O 10.9910 24.9120 19.1310 O.2 133 PHE133 -0.2778 2163 CB 10.9564 22.8952 16.7894 C.3 133 PHE133 -0.0036 2164 CG 10.3190 21.8733 15.8880 C.ar 133 PHE133 -0.0454 2165 CD1 10.8538 20.5921 15.7938 C.ar 133 PHE133 -0.0585 2166 CD2 9.2098 22.2027 15.1140 C.ar 133 PHE133 -0.0585 2167 CE1 10.2978 19.6576 14.9310 C.ar 133 PHE133 -0.0615 2168 CE2 8.6541 21.2714 14.2464 C.ar 133 PHE133 -0.0615 2169 CZ 9.2020 19.9992 14.1503 C.ar 133 PHE133 -0.0617 2170 H 8.7650 23.8250 18.1590 H 133 PHE133 0.1312 2171 HA 10.8488 21.7043 18.6172 H 133 PHE133 0.0560 2172 HB1 12.0383 22.8222 16.6662 H 133 PHE133 0.0333 2173 HB2 10.6783 23.8958 16.4534 H 133 PHE133 0.0333 2174 HD1 11.7077 20.3164 16.3954 H 133 PHE133 0.0620 2175 HD2 8.7785 23.1911 15.1811 H 133 PHE133 0.0620 2176 HE1 10.7127 18.6612 14.8791 H 133 PHE133 0.0618 2177 HE2 7.7921 21.5358 13.6520 H 133 PHE133 0.0618 2178 HZ 8.7649 19.2676 13.4867 H 133 PHE133 0.0618 2179 N 12.4530 23.3130 19.7280 N.am 134 SER134 -0.2436 2180 CA 13.3890 24.2690 20.3190 C.3 134 SER134 0.1109 2181 C 14.6610 24.3090 19.4940 C.2 134 SER134 0.2209 2182 O 14.8980 23.4420 18.6570 O.2 134 SER134 -0.2777 2183 CB 13.8426 23.8582 21.7169 C.3 134 SER134 0.0681 2184 OG 14.5578 22.6380 21.6134 O.3 134 SER134 -0.3930 2185 H 12.6350 22.3120 19.8080 H 134 SER134 0.1312 2186 HA 12.9431 25.2606 20.3473 H 134 SER134 0.0580 2187 HB1 12.9794 23.7422 22.3548 H 134 SER134 0.0577 2188 HB2 14.4594 24.6477 22.1647 H 134 SER134 0.0577 2189 HG 15.0441 22.4443 22.4157 H 134 SER134 0.2095 2190 N 15.4900 25.3110 19.7430 N.am 135 PHE135 -0.2453 2191 CA 16.7730 25.4120 19.0560 C.3 135 PHE135 0.0918 2192 C 17.7760 24.3790 19.5730 C.2 135 PHE135 0.2191 2193 O 18.7970 24.1260 18.9300 O.2 135 PHE135 -0.2778 2194 CB 17.3431 26.8306 19.1785 C.3 135 PHE135 -0.0036 2195 CG 16.5985 27.8146 18.3154 C.ar 135 PHE135 -0.0454 2196 CD1 15.4003 28.3632 18.7534 C.ar 135 PHE135 -0.0585 2197 CD2 17.1030 28.2022 17.0767 C.ar 135 PHE135 -0.0585 2198 CE1 14.7208 29.2941 17.9831 C.ar 135 PHE135 -0.0615 2199 CE2 16.4325 29.1429 16.3055 C.ar 135 PHE135 -0.0615 2200 CZ 15.2430 29.6939 16.7631 C.ar 135 PHE135 -0.0617 2201 H 15.2280 26.0230 20.4250 H 135 PHE135 0.1312 2202 HA 16.5972 25.1843 18.0034 H 135 PHE135 0.0560 2203 HB1 18.3903 26.8499 18.8771 H 135 PHE135 0.0333 2204 HB2 17.3119 27.1567 20.2189 H 135 PHE135 0.0333 2205 HD1 14.9983 28.0712 19.7100 H 135 PHE135 0.0620 2206 HD2 18.0245 27.7776 16.7075 H 135 PHE135 0.0620 2207 HE1 13.7870 29.7057 18.3383 H 135 PHE135 0.0618 2208 HE2 16.8329 29.4406 15.3470 H 135 PHE135 0.0618 2209 HZ 14.7189 30.4301 16.1720 H 135 PHE135 0.0618 2210 N 17.4700 23.7830 20.7240 N.am 136 THR136 -0.2434 2211 CA 18.3480 22.8020 21.3600 C.3 136 THR136 0.1135 2212 C 18.1120 21.3820 20.8470 C.2 136 THR136 0.2210 2213 O 18.7730 20.4390 21.2750 O.2 136 THR136 -0.2777 2214 CB 18.4756 23.0278 22.8846 C.3 136 THR136 0.0763 2215 OG1 17.4465 23.8855 23.3523 O.3 136 THR136 -0.3900 2216 CG2 19.7752 23.7530 23.2474 C.3 136 THR136 -0.0370 2217 H 16.5890 24.0200 21.1800 H 136 THR136 0.1313 2218 HA 19.3352 22.9960 20.9696 H 136 THR136 0.0583 2219 HB 18.5058 22.0749 23.4307 H 136 THR136 0.0611 2220 HG1 16.6420 23.3709 23.4421 H 136 THR136 0.2098 2221 HG21 19.8196 23.9395 24.3207 H 136 THR136 0.0255 2222 HG22 19.8448 24.7131 22.7365 H 136 THR136 0.0255 2223 HG23 20.6432 23.1519 22.9799 H 136 THR136 0.0255 2224 N 17.1580 21.2300 19.9370 N.am 137 GLY137 -0.2484 2225 CA 16.8470 19.9230 19.3850 C.3 137 GLY137 0.0765 2226 C 15.7250 19.2130 20.1200 C.2 137 GLY137 0.2155 2227 O 15.3450 18.1010 19.7690 O.2 137 GLY137 -0.2781 2228 H 16.6340 22.0450 19.6200 H 137 GLY137 0.1309 2229 HA1 17.7399 19.2961 19.3834 H 137 GLY137 0.0521 2230 HA2 16.5421 20.0887 18.3529 H 137 GLY137 0.0521 2231 N 15.1850 19.8460 21.1510 N.am 138 GLU138 -0.2459 2232 CA 14.0780 19.2410 21.8740 C.3 138 GLU138 0.0883 2233 C 12.7930 19.4960 21.1040 C.2 138 GLU138 0.2187 2234 O 12.7000 20.4580 20.3540 O.2 138 GLU138 -0.2778 2235 CB 13.9405 19.7085 23.3381 C.3 138 GLU138 -0.0193 2236 CG 15.1732 19.4263 24.2171 C.3 138 GLU138 0.0356 2237 CD 16.3866 20.2553 23.7929 C.2 138 GLU138 0.1760 2238 OE1 17.4899 19.7208 23.7391 O.co2 138 GLU138 -0.6478 2239 OE2 16.2122 21.4340 23.5095 O.co2 138 GLU138 -0.6478 2240 H 15.5450 20.7560 21.4370 H 138 GLU138 0.1312 2241 HA 14.2528 18.1643 21.9028 H 138 GLU138 0.0557 2242 HB1 13.1005 19.1797 23.7885 H 138 GLU138 0.0290 2243 HB2 13.6662 20.7585 23.3986 H 138 GLU138 0.0290 2244 HG1 15.4349 18.3693 24.1857 H 138 GLU138 0.0374 2245 HG2 14.9579 19.6748 25.2556 H 138 GLU138 0.0374 2246 N 11.8140 18.6170 21.2630 N.am 139 GLU139 -0.2456 2247 CA 10.5210 18.8280 20.6340 C.3 139 GLU139 0.0883 2248 C 9.4280 18.2950 21.5280 C.2 139 GLU139 0.2187 2249 O 9.6860 17.4990 22.4280 O.2 139 GLU139 -0.2778 2250 CB 10.4801 18.2486 19.2095 C.3 139 GLU139 -0.0193 2251 CG 10.4213 16.7134 19.1553 C.3 139 GLU139 0.0356 2252 CD 10.8494 16.1826 17.7795 C.2 139 GLU139 0.1760 2253 OE1 11.6368 15.2477 17.7272 O.co2 139 GLU139 -0.6478 2254 OE2 10.4259 16.7033 16.7606 O.co2 139 GLU139 -0.6478 2255 H 11.9700 17.7850 21.8320 H 139 GLU139 0.1312 2256 HA 10.3689 19.9076 20.5933 H 139 GLU139 0.0557 2257 HB1 11.3528 18.6174 18.6716 H 139 GLU139 0.0290 2258 HB2 9.6198 18.6450 18.6687 H 139 GLU139 0.0290 2259 HG1 9.4143 16.3633 19.3616 H 139 GLU139 0.0374 2260 HG2 11.0723 16.2778 19.9134 H 139 GLU139 0.0374 2261 N 8.2080 18.7640 21.3030 N.am 140 MET140 -0.2456 2262 CA 7.0820 18.3030 22.1030 C.3 140 MET140 0.0885 2263 C 5.8420 18.3460 21.2390 C.2 140 MET140 0.2187 2264 O 5.6360 19.3100 20.5230 O.2 140 MET140 -0.2778 2265 CB 6.9356 19.1419 23.3836 C.3 140 MET140 -0.0199 2266 CG 5.7145 18.7490 24.2315 C.3 140 MET140 -0.0047 2267 SD 5.5328 16.9635 24.4323 S.3 140 MET140 -0.1641 2268 CE 6.7974 16.6887 25.6781 C.3 140 MET140 -0.0181 2269 H 8.0580 19.4520 20.5650 H 140 MET140 0.1312 2270 HA 7.2590 17.2558 22.3579 H 140 MET140 0.0557 2271 HB1 6.8754 20.2020 23.1342 H 140 MET140 0.0293 2272 HB2 7.8401 19.0296 23.9824 H 140 MET140 0.0293 2273 HG1 4.8015 19.1191 23.7710 H 140 MET140 0.0377 2274 HG2 5.7751 19.2207 25.2134 H 140 MET140 0.0377 2275 HE1 6.9667 15.6221 25.8237 H 140 MET140 0.0340 2276 HE2 6.4984 17.1449 26.6213 H 140 MET140 0.0340 2277 HE3 7.7336 17.1454 25.3590 H 140 MET140 0.0340 2278 N 5.0070 17.3160 21.2870 N.am 141 ALA141 -0.2459 2279 CA 3.8540 17.3050 20.3940 C.3 141 ALA141 0.0850 2280 C 2.6320 16.6990 21.0510 C.2 141 ALA141 0.2185 2281 O 2.7450 15.8310 21.9060 O.2 141 ALA141 -0.2778 2282 CB 4.1929 16.5519 19.0998 C.3 141 ALA141 -0.0411 2283 H 5.1680 16.5460 21.9360 H 141 ALA141 0.1312 2284 HA 3.5903 18.3348 20.1619 H 141 ALA141 0.0554 2285 HB1 3.3763 16.6139 18.3793 H 141 ALA141 0.0249 2286 HB2 4.3863 15.4958 19.2906 H 141 ALA141 0.0249 2287 HB3 5.0776 16.9756 18.6239 H 141 ALA141 0.0249 2288 N 1.4630 17.1670 20.6280 N.am 142 THR142 -0.2434 2289 CA 0.1940 16.6960 21.1510 C.3 142 THR142 0.1135 2290 C 0.1060 15.1710 21.1070 C.2 142 THR142 0.2212 2291 O 0.4000 14.5640 20.0730 O.2 142 THR142 -0.2777 2292 CB -0.9791 17.4611 20.5106 C.3 142 THR142 0.0763 2293 OG1 -0.6946 18.8396 20.6466 O.3 142 THR142 -0.3900 2294 CG2 -2.3197 17.1724 21.2019 C.3 142 THR142 -0.0370 2295 H 1.4570 17.8870 19.9060 H 142 THR142 0.1313 2296 HA 0.2253 16.9806 22.2033 H 142 THR142 0.0583 2297 HB -1.0261 17.2102 19.4493 H 142 THR142 0.0611 2298 HG1 -1.4259 19.3753 20.3550 H 142 THR142 0.2098 2299 HG21 -3.1566 17.6717 20.7117 H 142 THR142 0.0255 2300 HG22 -2.2986 17.4927 22.2444 H 142 THR142 0.0255 2301 HG23 -2.5351 16.1142 21.1875 H 142 THR142 0.0255 2302 N -0.2670 14.5720 22.2400 N.am 143 LYS143 -0.2456 2303 CA -0.4120 13.1140 22.3940 C.3 143 LYS143 0.0878 2304 C 0.8350 12.3160 22.0400 C.2 143 LYS143 0.2187 2305 O 0.7350 11.1360 21.7100 O.2 143 LYS143 -0.2778 2306 CB -1.5503 12.5687 21.4975 C.3 143 LYS143 -0.0289 2307 CG -2.9183 13.2545 21.6421 C.3 143 LYS143 -0.0496 2308 CD -3.7536 13.1819 20.3482 C.3 143 LYS143 -0.0278 2309 CE -3.3822 14.2090 19.2580 C.3 143 LYS143 0.1103 2310 NZ -1.9747 14.2079 18.8677 N.4 143 LYS143 -0.0749 2311 H -0.4640 15.1600 23.0500 H 143 LYS143 0.1312 2312 HA -0.6369 12.9410 23.4464 H 143 LYS143 0.0557 2313 HB1 -1.6989 11.5056 21.6971 H 143 LYS143 0.0285 2314 HB2 -1.2210 12.6004 20.4608 H 143 LYS143 0.0285 2315 HG1 -2.8284 14.2788 21.9853 H 143 LYS143 0.0266 2316 HG2 -3.4606 12.7483 22.4421 H 143 LYS143 0.0266 2317 HD1 -4.8041 13.3278 20.6033 H 143 LYS143 0.0282 2318 HD2 -3.6904 12.1729 19.9375 H 143 LYS143 0.0282 2319 HE1 -3.6533 15.2203 19.5606 H 143 LYS143 0.0559 2320 HE2 -3.9629 13.9928 18.3590 H 143 LYS143 0.0559 2321 HZ1 -1.8096 14.7408 17.9869 H 143 LYS143 0.2742 2322 HZ2 -1.6759 13.2385 18.6210 H 143 LYS143 0.2742 2323 HZ3 -1.3511 14.5501 19.6191 H 143 LYS143 0.2742 2324 N 1.9970 12.9590 22.0870 N.am 144 ALA144 -0.2459 2325 CA 3.2490 12.3240 21.6870 C.3 144 ALA144 0.0850 2326 C 3.1850 11.7900 20.2610 C.2 144 ALA144 0.2184 2327 O 3.8410 10.8050 19.9310 O.2 144 ALA144 -0.2778 2328 CB 3.6649 11.2423 22.6953 C.3 144 ALA144 -0.0411 2329 H 2.0140 13.9260 22.4120 H 144 ALA144 0.1312 2330 HA 3.9891 13.1250 21.6941 H 144 ALA144 0.0554 2331 HB1 4.6578 10.8536 22.4662 H 144 ALA144 0.0249 2332 HB2 2.9717 10.4011 22.6974 H 144 ALA144 0.0249 2333 HB3 3.6980 11.6495 23.7056 H 144 ALA144 0.0249 2334 N 2.3830 12.4500 19.4250 N.am 145 ASP145 -0.2451 2335 CA 2.2970 12.1490 17.9990 C.3 145 ASP145 0.0974 2336 C 3.0450 13.2170 17.2100 C.2 145 ASP145 0.2192 2337 O 2.5850 14.3580 17.0880 O.2 145 ASP145 -0.2778 2338 CB 0.8714 11.7457 17.4969 C.3 145 ASP145 0.0576 2339 CG -0.0290 12.7075 16.6566 C.2 145 ASP145 0.1780 2340 OD1 0.3846 13.2654 15.6505 O.co2 145 ASP145 -0.6478 2341 OD2 -1.1913 12.8975 16.9952 O.co2 145 ASP145 -0.6478 2342 H 1.8020 13.2000 19.7990 H 145 ASP145 0.1312 2343 HA 2.8822 11.2388 17.8541 H 145 ASP145 0.0563 2344 HB1 0.2907 11.3961 18.3499 H 145 ASP145 0.0394 2345 HB2 0.9832 10.8672 16.8619 H 145 ASP145 0.0394 2346 N 4.1840 12.8260 16.6470 N.am 146 TYR146 -0.2453 2347 CA 5.1130 13.7650 16.0170 C.3 146 TYR146 0.0917 2348 C 4.9080 13.9750 14.5140 C.2 146 TYR146 0.2191 2349 O 5.6530 14.7250 13.8770 O.2 146 TYR146 -0.2778 2350 CB 6.5506 13.3469 16.3725 C.3 146 TYR146 -0.0036 2351 CG 6.7722 13.4459 17.8621 C.ar 146 TYR146 -0.0453 2352 CD1 6.5625 12.3459 18.6899 C.ar 146 TYR146 -0.0561 2353 CD2 7.1115 14.6652 18.4424 C.ar 146 TYR146 -0.0561 2354 CE1 6.6567 12.4710 20.0708 C.ar 146 TYR146 -0.0317 2355 CE2 7.1944 14.7939 19.8231 C.ar 146 TYR146 -0.0317 2356 CZ 6.9596 13.6990 20.6393 C.ar 146 TYR146 0.0726 2357 OH 7.0146 13.8346 22.0118 O.3 146 TYR146 -0.3598 2358 H 4.4200 11.8330 16.6540 H 146 TYR146 0.1312 2359 HA 4.9338 14.7441 16.4665 H 146 TYR146 0.0560 2360 HB1 7.2742 13.9903 15.8736 H 146 TYR146 0.0333 2361 HB2 6.7528 12.3302 16.0331 H 146 TYR146 0.0333 2362 HD1 6.2882 11.3915 18.2642 H 146 TYR146 0.0621 2363 HD2 7.2811 15.5329 17.8231 H 146 TYR146 0.0621 2364 HE1 6.4687 11.6182 20.7058 H 146 TYR146 0.0643 2365 HE2 7.4214 15.7524 20.2640 H 146 TYR146 0.0643 2366 HH 7.3567 14.6904 22.2325 H 146 TYR146 0.2173 2367 N 3.8730 13.3290 13.9790 N.am 147 THR147 -0.2434 2368 CA 3.3750 13.5530 12.6180 C.3 147 THR147 0.1135 2369 C 4.3400 13.1320 11.5130 C.2 147 THR147 0.2212 2370 O 4.0040 12.2970 10.6690 O.2 147 THR147 -0.2777 2371 CB 3.0059 15.0504 12.4155 C.3 147 THR147 0.0763 2372 OG1 2.2019 15.4935 13.4982 O.3 147 THR147 -0.3900 2373 CG2 2.2425 15.3146 11.1066 C.3 147 THR147 -0.0370 2374 H 3.3960 12.6340 14.5530 H 147 THR147 0.1313 2375 HA 2.4776 12.9399 12.5396 H 147 THR147 0.0583 2376 HB 3.9398 15.6250 12.3923 H 147 THR147 0.0611 2377 HG1 2.1297 16.4447 13.5065 H 147 THR147 0.2098 2378 HG21 2.0457 16.3775 10.9612 H 147 THR147 0.0255 2379 HG22 1.2826 14.8010 11.1157 H 147 THR147 0.0255 2380 HG23 2.8028 14.9732 10.2366 H 147 THR147 0.0255 2381 N 5.5350 13.7080 11.5330 N.am 148 LEU148 -0.2456 2382 CA 6.5670 13.4060 10.5500 C.3 148 LEU148 0.0880 2383 C 7.5570 12.4010 11.1180 C.2 148 LEU148 0.2187 2384 O 7.6330 12.2250 12.3320 O.2 148 LEU148 -0.2778 2385 CB 7.3103 14.7024 10.1849 C.3 148 LEU148 -0.0266 2386 CG 6.4264 15.8166 9.5967 C.3 148 LEU148 -0.0449 2387 CD1 7.2630 17.0809 9.3601 C.3 148 LEU148 -0.0626 2388 CD2 5.7470 15.3757 8.2940 C.3 148 LEU148 -0.0626 2389 H 5.7390 14.3890 12.2650 H 148 LEU148 0.1312 2390 HA 6.1100 12.9666 9.6618 H 148 LEU148 0.0557 2391 HB1 8.0944 14.4706 9.4650 H 148 LEU148 0.0287 2392 HB2 7.8123 15.0860 11.0733 H 148 LEU148 0.0287 2393 HG 5.6464 16.0709 10.3158 H 148 LEU148 0.0296 2394 HD11 6.6642 17.8688 8.9048 H 148 LEU148 0.0232 2395 HD12 8.1010 16.8783 8.6946 H 148 LEU148 0.0232 2396 HD13 7.6695 17.4648 10.2960 H 148 LEU148 0.0232 2397 HD21 5.2006 16.2041 7.8465 H 148 LEU148 0.0232 2398 HD22 5.0346 14.5695 8.4676 H 148 LEU148 0.0232 2399 HD23 6.4795 15.0281 7.5645 H 148 LEU148 0.0232 2400 N 8.3130 11.7530 10.2330 N.am 149 ASP149 -0.2451 2401 CA 9.3060 10.7560 10.6280 C.3 149 ASP149 0.0974 2402 C 10.5740 11.4210 11.1540 C.2 149 ASP149 0.2192 2403 O 10.7530 12.6340 11.0250 O.2 149 ASP149 -0.2778 2404 CB 9.6563 9.9710 9.3394 C.3 149 ASP149 0.0576 2405 CG 9.6860 10.9204 8.1211 C.2 149 ASP149 0.1780 2406 OD1 10.6714 11.6274 7.9392 O.co2 149 ASP149 -0.6478 2407 OD2 8.6982 10.9555 7.3878 O.co2 149 ASP149 -0.6478 2408 H 8.1940 11.9610 9.2420 H 149 ASP149 0.1312 2409 HA 8.8814 10.1074 11.3945 H 149 ASP149 0.0563 2410 HB1 8.8938 9.2165 9.1510 H 149 ASP149 0.0394 2411 HB2 10.6077 9.4433 9.4056 H 149 ASP149 0.0394 2412 N 11.4560 10.6220 11.7440 N.am 150 GLU150 -0.2456 2413 CA 12.6400 11.1510 12.4050 C.3 150 GLU150 0.0883 2414 C 13.5320 11.9330 11.4660 C.2 150 GLU150 0.2187 2415 O 14.1690 12.8850 11.8810 O.2 150 GLU150 -0.2778 2416 CB 13.4309 10.0202 13.0878 C.3 150 GLU150 -0.0193 2417 CG 12.6490 9.2838 14.1931 C.3 150 GLU150 0.0356 2418 CD 12.1481 10.2299 15.2985 C.2 150 GLU150 0.1760 2419 OE1 12.8720 11.1302 15.7048 O.co2 150 GLU150 -0.6478 2420 OE2 11.0193 10.0791 15.7519 O.co2 150 GLU150 -0.6478 2421 H 11.3000 9.6140 11.7340 H 150 GLU150 0.1312 2422 HA 12.2889 11.8573 13.1578 H 150 GLU150 0.0557 2423 HB1 14.3424 10.4300 13.5263 H 150 GLU150 0.0290 2424 HB2 13.7556 9.2978 12.3382 H 150 GLU150 0.0290 2425 HG1 13.2808 8.5317 14.6630 H 150 GLU150 0.0374 2426 HG2 11.7940 8.7590 13.7680 H 150 GLU150 0.0374 2427 N 13.5810 11.5310 10.2030 N.am 151 GLU151 -0.2456 2428 CA 14.4650 12.1750 9.2350 C.3 151 GLU151 0.0883 2429 C 14.0180 13.6060 8.8780 C.2 151 GLU151 0.2187 2430 O 14.8400 14.5230 8.7600 O.2 151 GLU151 -0.2778 2431 CB 14.7616 11.3240 7.9890 C.3 151 GLU151 -0.0193 2432 CG 15.8654 11.9934 7.1353 C.3 151 GLU151 0.0356 2433 CD 16.6420 11.0484 6.2082 C.2 151 GLU151 0.1760 2434 OE1 17.0849 9.9977 6.6688 O.co2 151 GLU151 -0.6478 2435 OE2 16.8081 11.3833 5.0358 O.co2 151 GLU151 -0.6478 2436 H 12.9900 10.7570 9.9020 H 151 GLU151 0.1312 2437 HA 15.4175 12.2843 9.7565 H 151 GLU151 0.0557 2438 HB1 13.8602 11.1655 7.3954 H 151 GLU151 0.0290 2439 HB2 15.0924 10.3385 8.3184 H 151 GLU151 0.0290 2440 HG1 16.6143 12.4478 7.7820 H 151 GLU151 0.0374 2441 HG2 15.4391 12.8005 6.5402 H 151 GLU151 0.0374 2442 N 12.7110 13.7880 8.7030 N.am 152 SER152 -0.2436 2443 CA 12.1510 15.0950 8.3580 C.3 152 SER152 0.1109 2444 C 12.3910 16.0710 9.5020 C.2 152 SER152 0.2209 2445 O 12.8190 17.2320 9.3230 O.2 152 SER152 -0.2777 2446 CB 10.6505 14.9406 8.0846 C.3 152 SER152 0.0681 2447 OG 10.4130 14.3739 6.8076 O.3 152 SER152 -0.3930 2448 H 12.0810 12.9930 8.8130 H 152 SER152 0.1312 2449 HA 12.6698 15.4521 7.4686 H 152 SER152 0.0580 2450 HB1 10.1648 15.9162 8.0853 H 152 SER152 0.0577 2451 HB2 10.1719 14.3539 8.8790 H 152 SER152 0.0577 2452 HG 10.5709 13.4227 6.8392 H 152 SER152 0.2095 2453 N 12.1410 15.5640 10.7050 N.am 153 ARG153 -0.2456 2454 CA 12.2540 16.3690 11.8990 C.3 153 ARG153 0.0879 2455 C 13.7270 16.6600 12.1830 C.2 153 ARG153 0.2187 2456 O 14.0730 17.7560 12.6190 O.2 153 ARG153 -0.2778 2457 CB 11.5408 15.6499 13.0495 C.3 153 ARG153 -0.0258 2458 CG 10.0292 15.9496 13.0502 C.3 153 ARG153 -0.0154 2459 CD 9.1939 14.8573 13.7191 C.3 153 ARG153 0.1045 2460 NE 9.8412 14.4420 14.9612 N.pl3 153 ARG153 -0.4450 2461 CZ 10.2059 13.1953 15.2300 C.cat 153 ARG153 0.5062 2462 NH1 9.8765 12.1956 14.4653 N.pl3 153 ARG153 -0.4573 2463 NH2 10.9229 12.9543 16.2799 N.pl3 153 ARG153 -0.4573 2464 H 11.8640 14.5860 10.7870 H 153 ARG153 0.1312 2465 HA 11.7720 17.3286 11.7038 H 153 ARG153 0.0557 2466 HB1 11.9539 15.9515 14.0140 H 153 ARG153 0.0286 2467 HB2 11.7251 14.5769 12.9623 H 153 ARG153 0.0286 2468 HG1 9.6694 16.0785 12.0291 H 153 ARG153 0.0299 2469 HG2 9.8560 16.9003 13.5540 H 153 ARG153 0.0299 2470 HD1 9.1031 14.0190 13.0291 H 153 ARG153 0.0711 2471 HD2 8.1881 15.2023 13.9568 H 153 ARG153 0.0711 2472 HE 10.0851 15.0947 15.6892 H 153 ARG153 0.3153 2473 HH11 10.2406 11.3001 14.7444 H 153 ARG153 0.3114 2474 HH12 9.3065 12.2960 13.6569 H 153 ARG153 0.3114 2475 HH21 11.2863 12.0149 16.3864 H 153 ARG153 0.3114 2476 HH22 11.1279 13.6753 16.9424 H 153 ARG153 0.3114 2477 N 14.5930 15.6930 11.8860 N.am 154 ALA154 -0.2459 2478 CA 16.0360 15.8860 12.0100 C.3 154 ALA154 0.0850 2479 C 16.4890 17.0070 11.0910 C.2 154 ALA154 0.2184 2480 O 17.3680 17.7910 11.4390 O.2 154 ALA154 -0.2778 2481 CB 16.7641 14.5794 11.6744 C.3 154 ALA154 -0.0411 2482 H 14.2390 14.7930 11.5630 H 154 ALA154 0.1312 2483 HA 16.2371 16.1780 13.0413 H 154 ALA154 0.0554 2484 HB1 17.8456 14.6974 11.7475 H 154 ALA154 0.0249 2485 HB2 16.5329 14.2387 10.6651 H 154 ALA154 0.0249 2486 HB3 16.4752 13.7865 12.3637 H 154 ALA154 0.0249 2487 N 15.8980 17.0650 9.9010 N.am 155 ARG155 -0.2457 2488 CA 16.2080 18.1420 8.9600 C.3 155 ARG155 0.0879 2489 C 15.8490 19.5140 9.5580 C.2 155 ARG155 0.2187 2490 O 16.6450 20.4810 9.5000 O.2 155 ARG155 -0.2778 2491 CB 15.4892 17.7736 7.6348 C.3 155 ARG155 -0.0258 2492 CG 15.0003 18.9296 6.7488 C.3 155 ARG155 -0.0154 2493 CD 14.1888 18.4427 5.5356 C.3 155 ARG155 0.1045 2494 NE 13.8084 19.5920 4.7069 N.pl3 155 ARG155 -0.4450 2495 CZ 12.9035 19.5638 3.7268 C.cat 155 ARG155 0.5062 2496 NH1 12.2212 18.4928 3.4306 N.pl3 155 ARG155 -0.4573 2497 NH2 12.6817 20.6395 3.0240 N.pl3 155 ARG155 -0.4573 2498 H 15.2200 16.3490 9.6410 H 155 ARG155 0.1312 2499 HA 17.2885 18.1290 8.8060 H 155 ARG155 0.0557 2500 HB1 14.6295 17.1444 7.8539 H 155 ARG155 0.0286 2501 HB2 16.1487 17.1267 7.0549 H 155 ARG155 0.0286 2502 HG1 15.8490 19.5327 6.4252 H 155 ARG155 0.0299 2503 HG2 14.3524 19.5729 7.3376 H 155 ARG155 0.0299 2504 HD1 13.2848 17.9230 5.8661 H 155 ARG155 0.0711 2505 HD2 14.7757 17.7578 4.9174 H 155 ARG155 0.0711 2506 HE 14.2512 20.4718 4.8607 H 155 ARG155 0.3153 2507 HH11 11.5572 18.5674 2.6779 H 155 ARG155 0.3114 2508 HH12 12.3450 17.6343 3.9209 H 155 ARG155 0.3114 2509 HH21 12.0069 20.5701 2.2780 H 155 ARG155 0.3114 2510 HH22 13.1481 21.5011 3.1920 H 155 ARG155 0.3114 2511 N 14.6460 19.5940 10.1290 N.am 156 ILE156 -0.2454 2512 CA 14.2110 20.8320 10.7940 C.3 156 ILE156 0.0903 2513 C 15.1380 21.2340 11.9520 C.2 156 ILE156 0.2189 2514 O 15.6090 22.3800 12.0280 O.2 156 ILE156 -0.2778 2515 CB 12.7422 20.6692 11.2618 C.3 156 ILE156 -0.0201 2516 CG1 11.7982 20.4879 10.0530 C.3 156 ILE156 -0.0514 2517 CG2 12.2740 21.8457 12.1415 C.3 156 ILE156 -0.0605 2518 CD1 10.3646 20.0957 10.4358 C.3 156 ILE156 -0.0650 2519 H 14.0210 18.7880 10.1040 H 156 ILE156 0.1312 2520 HA 14.2681 21.6337 10.0596 H 156 ILE156 0.0560 2521 HB 12.6840 19.7654 11.8696 H 156 ILE156 0.0318 2522 HG11 12.1857 19.7170 9.3879 H 156 ILE156 0.0266 2523 HG12 11.7766 21.4069 9.4665 H 156 ILE156 0.0266 2524 HG21 11.2491 21.7070 12.4815 H 156 ILE156 0.0233 2525 HG22 12.3249 22.7867 11.5941 H 156 ILE156 0.0233 2526 HG23 12.8774 21.9523 13.0430 H 156 ILE156 0.0233 2527 HD11 9.7719 19.8882 9.5449 H 156 ILE156 0.0230 2528 HD12 9.8596 20.8932 10.9801 H 156 ILE156 0.0230 2529 HD13 10.3520 19.2003 11.0578 H 156 ILE156 0.0230 2530 N 15.4420 20.2770 12.8250 N.am 157 LYS157 -0.2456 2531 CA 16.3100 20.5480 13.9720 C.3 157 LYS157 0.0878 2532 C 17.7150 20.9620 13.5620 C.2 157 LYS157 0.2187 2533 O 18.3410 21.8040 14.2130 O.2 157 LYS157 -0.2778 2534 CB 16.3453 19.3153 14.8819 C.3 157 LYS157 -0.0289 2535 CG 15.0023 19.0884 15.5851 C.3 157 LYS157 -0.0496 2536 CD 15.0312 17.8612 16.4978 C.3 157 LYS157 -0.0278 2537 CE 13.7112 17.6885 17.2496 C.3 157 LYS157 0.1103 2538 NZ 13.7309 16.5445 18.1529 N.4 157 LYS157 -0.0749 2539 H 15.0640 19.3390 12.6930 H 157 LYS157 0.1312 2540 HA 15.8723 21.3903 14.5095 H 157 LYS157 0.0557 2541 HB1 17.1180 19.4371 15.6430 H 157 LYS157 0.0285 2542 HB2 16.6185 18.4340 14.2989 H 157 LYS157 0.0285 2543 HG1 14.2044 18.9756 14.8506 H 157 LYS157 0.0266 2544 HG2 14.7525 19.9725 16.1741 H 157 LYS157 0.0266 2545 HD1 15.8514 17.9565 17.2099 H 157 LYS157 0.0282 2546 HD2 15.2361 16.9702 15.9025 H 157 LYS157 0.0282 2547 HE1 12.8915 17.5496 16.5417 H 157 LYS157 0.0559 2548 HE2 13.4853 18.5787 17.8398 H 157 LYS157 0.0559 2549 HZ1 12.7810 16.4159 18.5614 H 157 LYS157 0.2742 2550 HZ2 14.4383 16.6762 18.9035 H 157 LYS157 0.2742 2551 HZ3 13.8885 15.6681 17.6160 H 157 LYS157 0.2742 2552 N 18.2180 20.3470 12.4980 N.am 158 THR158 -0.2434 2553 CA 19.5440 20.6650 12.0010 C.3 158 THR158 0.1135 2554 C 19.5610 22.1000 11.4940 C.2 158 THR158 0.2212 2555 O 20.5050 22.8490 11.7540 O.2 158 THR158 -0.2777 2556 CB 19.9535 19.6544 10.9146 C.3 158 THR158 0.0763 2557 OG1 20.0528 18.3914 11.5520 O.3 158 THR158 -0.3900 2558 CG2 21.3017 19.9960 10.2543 C.3 158 THR158 -0.0370 2559 H 17.6620 19.6380 12.0210 H 158 THR158 0.1313 2560 HA 20.2345 20.5940 12.8429 H 158 THR158 0.0583 2561 HB 19.1616 19.6310 10.1561 H 158 THR158 0.0611 2562 HG1 20.1922 17.6944 10.9174 H 158 THR158 0.2098 2563 HG21 21.5820 19.2582 9.5024 H 158 THR158 0.0255 2564 HG22 22.0986 20.0341 10.9974 H 158 THR158 0.0255 2565 HG23 21.2688 20.9628 9.7526 H 158 THR158 0.0255 2566 N 18.5140 22.4820 10.7720 N.am 159 ARG159 -0.2456 2567 CA 18.4050 23.8710 10.3380 C.3 159 ARG159 0.0879 2568 C 18.4090 24.8290 11.5450 C.2 159 ARG159 0.2187 2569 O 19.0840 25.8670 11.5300 O.2 159 ARG159 -0.2778 2570 CB 17.1913 24.0918 9.4260 C.3 159 ARG159 -0.0258 2571 CG 16.9933 25.5552 8.9762 C.3 159 ARG159 -0.0154 2572 CD 18.2312 26.2145 8.3383 C.3 159 ARG159 0.1045 2573 NE 17.8037 27.4561 7.7142 N.pl3 159 ARG159 -0.4450 2574 CZ 18.4734 28.5614 7.4283 C.cat 159 ARG159 0.5062 2575 NH1 19.7457 28.6891 7.6815 N.pl3 159 ARG159 -0.4573 2576 NH2 17.8252 29.5421 6.8758 N.pl3 159 ARG159 -0.4573 2577 H 17.7900 21.8080 10.5220 H 159 ARG159 0.1312 2578 HA 19.3130 24.0754 9.7688 H 159 ARG159 0.0557 2579 HB1 16.2863 23.7488 9.9289 H 159 ARG159 0.0286 2580 HB2 17.3045 23.4608 8.5448 H 159 ARG159 0.0286 2581 HG1 16.6649 26.1626 9.8206 H 159 ARG159 0.0299 2582 HG2 16.1683 25.5849 8.2627 H 159 ARG159 0.0299 2583 HD1 18.6555 25.5887 7.5514 H 159 ARG159 0.0711 2584 HD2 18.9988 26.4355 9.0811 H 159 ARG159 0.0711 2585 HE 16.8445 27.5815 7.4271 H 159 ARG159 0.3153 2586 HH11 20.2001 29.5392 7.4306 H 159 ARG159 0.3114 2587 HH12 20.2310 27.9411 8.1168 H 159 ARG159 0.3114 2588 HH21 18.2409 30.3999 6.5923 H 159 ARG159 0.3114 2589 HH22 16.8332 29.3741 6.7465 H 159 ARG159 0.3114 2590 N 17.6830 24.4680 12.6000 N.am 160 LEU160 -0.2456 2591 CA 17.6330 25.3100 13.7970 C.3 160 LEU160 0.0880 2592 C 18.9980 25.4380 14.4850 C.2 160 LEU160 0.2187 2593 O 19.3930 26.5310 14.9260 O.2 160 LEU160 -0.2778 2594 CB 16.5700 24.7743 14.7751 C.3 160 LEU160 -0.0266 2595 CG 15.1195 24.9331 14.2768 C.3 160 LEU160 -0.0449 2596 CD1 14.1496 24.1244 15.1498 C.3 160 LEU160 -0.0626 2597 CD2 14.6869 26.4070 14.2422 C.3 160 LEU160 -0.0626 2598 H 17.1560 23.5950 12.5750 H 160 LEU160 0.1312 2599 HA 17.3605 26.3114 13.4639 H 160 LEU160 0.0557 2600 HB1 16.6583 25.2844 15.7347 H 160 LEU160 0.0287 2601 HB2 16.7732 23.7217 14.9746 H 160 LEU160 0.0287 2602 HG 15.0507 24.5373 13.2632 H 160 LEU160 0.0296 2603 HD11 13.1265 24.2114 14.7822 H 160 LEU160 0.0232 2604 HD12 14.1626 24.4729 16.1833 H 160 LEU160 0.0232 2605 HD13 14.4071 23.0655 15.1520 H 160 LEU160 0.0232 2606 HD21 13.6540 26.5025 13.9100 H 160 LEU160 0.0232 2607 HD22 15.2975 26.9948 13.5581 H 160 LEU160 0.0232 2608 HD23 14.7556 26.8612 15.2309 H 160 LEU160 0.0232 2609 N 19.7100 24.3180 14.5780 N.am 161 PHE161 -0.2453 2610 CA 21.0540 24.2910 15.1590 C.3 161 PHE161 0.0917 2611 C 22.0130 25.1460 14.3510 C.2 161 PHE161 0.2191 2612 O 22.8640 25.8440 14.9040 O.2 161 PHE161 -0.2778 2613 CB 21.5224 22.8260 15.2128 C.3 161 PHE161 -0.0036 2614 CG 22.6305 22.6041 16.2112 C.ar 161 PHE161 -0.0454 2615 CD1 22.3667 21.9665 17.4206 C.ar 161 PHE161 -0.0585 2616 CD2 23.9367 22.9959 15.9291 C.ar 161 PHE161 -0.0585 2617 CE1 23.3876 21.7262 18.3317 C.ar 161 PHE161 -0.0615 2618 CE2 24.9552 22.7747 16.8464 C.ar 161 PHE161 -0.0615 2619 CZ 24.6819 22.1385 18.0488 C.ar 161 PHE161 -0.0617 2620 H 19.3060 23.4480 14.2330 H 161 PHE161 0.1312 2621 HA 20.9660 24.7035 16.1639 H 161 PHE161 0.0560 2622 HB1 21.8396 22.4769 14.2284 H 161 PHE161 0.0333 2623 HB2 20.6805 22.1894 15.4883 H 161 PHE161 0.0333 2624 HD1 21.3651 21.6287 17.6455 H 161 PHE161 0.0620 2625 HD2 24.1734 23.4687 14.9865 H 161 PHE161 0.0620 2626 HE1 23.1777 21.2011 19.2519 H 161 PHE161 0.0618 2627 HE2 25.9658 23.0763 16.6105 H 161 PHE161 0.0618 2628 HZ 25.4817 21.9414 18.7477 H 161 PHE161 0.0618 2629 N 21.8740 25.0730 13.0320 N.am 162 THR162 -0.2434 2630 CA 22.6920 25.8690 12.1270 C.3 162 THR162 0.1135 2631 C 22.4380 27.3690 12.3300 C.2 162 THR162 0.2212 2632 O 23.3760 28.1640 12.4030 O.2 162 THR162 -0.2777 2633 CB 22.4207 25.4410 10.6722 C.3 162 THR162 0.0763 2634 OG1 22.7760 24.0723 10.5656 O.3 162 THR162 -0.3900 2635 CG2 23.2269 26.2621 9.6487 C.3 162 THR162 -0.0370 2636 H 21.1740 24.4410 12.6420 H 162 THR162 0.1313 2637 HA 23.7340 25.6644 12.3779 H 162 THR162 0.0583 2638 HB 21.3487 25.5586 10.4793 H 162 THR162 0.0611 2639 HG1 22.5594 23.7222 9.7077 H 162 THR162 0.2098 2640 HG21 23.0274 25.9440 8.6254 H 162 THR162 0.0255 2641 HG22 24.2975 26.1588 9.8272 H 162 THR162 0.0255 2642 HG23 22.9830 27.3229 9.7033 H 162 THR162 0.0255 2643 N 21.1680 27.7490 12.4340 N.am 163 ILE163 -0.2453 2644 CA 20.8130 29.1430 12.7220 C.3 163 ILE163 0.0903 2645 C 21.4080 29.6350 14.0510 C.2 163 ILE163 0.2189 2646 O 22.0380 30.7030 14.1180 O.2 163 ILE163 -0.2778 2647 CB 19.2648 29.2584 12.6902 C.3 163 ILE163 -0.0201 2648 CG1 18.7359 29.0976 11.2481 C.3 163 ILE163 -0.0514 2649 CG2 18.7345 30.5636 13.3176 C.3 163 ILE163 -0.0605 2650 CD1 17.2225 28.8569 11.1666 C.3 163 ILE163 -0.0650 2651 H 20.4270 27.0590 12.3110 H 163 ILE163 0.1312 2652 HA 21.2474 29.7555 11.9299 H 163 ILE163 0.0560 2653 HB 18.8640 28.4352 13.2831 H 163 ILE163 0.0318 2654 HG11 19.2321 28.2608 10.7585 H 163 ILE163 0.0266 2655 HG12 18.9945 29.9799 10.6615 H 163 ILE163 0.0266 2656 HG21 17.6480 30.6198 13.2694 H 163 ILE163 0.0233 2657 HG22 19.1312 31.4362 12.8042 H 163 ILE163 0.0233 2658 HG23 19.0003 30.6489 14.3711 H 163 ILE163 0.0233 2659 HD11 16.9118 28.6908 10.1350 H 163 ILE163 0.0230 2660 HD12 16.6550 29.7107 11.5351 H 163 ILE163 0.0230 2661 HD13 16.9299 27.9796 11.7436 H 163 ILE163 0.0230 2662 N 21.2200 28.8450 15.1020 N.am 164 ARG164 -0.2456 2663 CA 21.7630 29.1790 16.4190 C.3 164 ARG164 0.0879 2664 C 23.2840 29.3340 16.3820 C.2 164 ARG164 0.2187 2665 O 23.8550 30.2350 17.0100 O.2 164 ARG164 -0.2778 2666 CB 21.3055 27.9782 17.2784 C.3 164 ARG164 -0.0258 2667 CG 22.0587 27.6487 18.5767 C.3 164 ARG164 -0.0154 2668 CD 21.5545 26.3012 19.1228 C.3 164 ARG164 0.1045 2669 NE 22.3801 25.8218 20.2315 N.pl3 164 ARG164 -0.4450 2670 CZ 22.3098 24.5678 20.6819 C.cat 164 ARG164 0.5062 2671 NH1 21.4954 23.6978 20.1508 N.pl3 164 ARG164 -0.4573 2672 NH2 23.0660 24.1910 21.6769 N.pl3 164 ARG164 -0.4573 2673 H 20.6840 27.9850 14.9880 H 164 ARG164 0.1312 2674 HA 21.3155 30.1191 16.7405 H 164 ARG164 0.0557 2675 HB1 21.3731 27.0852 16.6549 H 164 ARG164 0.0286 2676 HB2 20.2431 28.0910 17.4953 H 164 ARG164 0.0286 2677 HG1 21.9294 28.4428 19.3117 H 164 ARG164 0.0299 2678 HG2 23.1278 27.5690 18.3783 H 164 ARG164 0.0299 2679 HD1 21.5860 25.5516 18.3267 H 164 ARG164 0.0711 2680 HD2 20.5247 26.3802 19.4787 H 164 ARG164 0.0711 2681 HE 23.0211 26.4468 20.6728 H 164 ARG164 0.3153 2682 HH11 21.4723 22.7554 20.4794 H 164 ARG164 0.3114 2683 HH12 20.8779 23.9649 19.4117 H 164 ARG164 0.3114 2684 HH21 22.9920 23.2572 22.0231 H 164 ARG164 0.3114 2685 HH22 23.7104 24.8262 22.0929 H 164 ARG164 0.3114 2686 N 23.9320 28.4520 15.6320 N.am 165 GLN165 -0.2456 2687 CA 25.3890 28.4410 15.5110 C.3 165 GLN165 0.0882 2688 C 25.9250 29.6520 14.7370 C.2 165 GLN165 0.2187 2689 O 26.8910 30.2880 15.1600 O.2 165 GLN165 -0.2778 2690 CB 25.7968 27.1194 14.8458 C.3 165 GLN165 -0.0210 2691 CG 27.3179 26.9233 14.7557 C.3 165 GLN165 0.0225 2692 CD 27.6351 25.4974 14.2899 C.2 165 GLN165 0.1981 2693 OE1 27.3794 24.5284 14.9909 O.2 165 GLN165 -0.2798 2694 NE2 28.2004 25.4254 13.0760 N.am 165 GLN165 -0.2724 2695 H 23.3930 27.7540 15.1200 H 165 GLN165 0.1312 2696 HA 25.7938 28.4866 16.5233 H 165 GLN165 0.0557 2697 HB1 25.3530 27.0497 13.8513 H 165 GLN165 0.0289 2698 HB2 25.3632 26.3031 15.4257 H 165 GLN165 0.0289 2699 HG1 27.7810 27.0679 15.7314 H 165 GLN165 0.0356 2700 HG2 27.7681 27.6444 14.0724 H 165 GLN165 0.0356 2701 HE21 28.4344 24.5283 12.7029 H 165 GLN165 0.1266 2702 HE22 28.3931 26.2454 12.5385 H 165 GLN165 0.1266 2703 N 25.3090 29.9660 13.6000 N.am 166 GLU166 -0.2456 2704 CA 25.6870 31.1620 12.8500 C.3 166 GLU166 0.0883 2705 C 25.4710 32.4320 13.7080 C.2 166 GLU166 0.2187 2706 O 26.3480 33.3010 13.7900 O.2 166 GLU166 -0.2778 2707 CB 24.9371 31.1311 11.5062 C.3 166 GLU166 -0.0193 2708 CG 25.8367 31.3826 10.2803 C.3 166 GLU166 0.0356 2709 CD 26.0163 32.8711 9.9911 C.2 166 GLU166 0.1760 2710 OE1 27.1310 33.3617 9.8855 O.co2 166 GLU166 -0.6478 2711 OE2 25.0255 33.5650 9.8593 O.co2 166 GLU166 -0.6478 2712 H 24.5640 29.3650 13.2480 H 166 GLU166 0.1312 2713 HA 26.7603 31.0754 12.6706 H 166 GLU166 0.0557 2714 HB1 24.0728 31.7924 11.5223 H 166 GLU166 0.0290 2715 HB2 24.5161 30.1360 11.3684 H 166 GLU166 0.0290 2716 HG1 25.3775 30.9489 9.3929 H 166 GLU166 0.0374 2717 HG2 26.8115 30.9081 10.3920 H 166 GLU166 0.0374 2718 N 24.3210 32.5070 14.3780 N.am 167 MET167 -0.2456 2719 CA 24.0440 33.6150 15.2920 C.3 167 MET167 0.0885 2720 C 25.1120 33.7660 16.3820 C.2 167 MET167 0.2187 2721 O 25.6230 34.8700 16.6110 O.2 167 MET167 -0.2778 2722 CB 22.6799 33.4115 15.9792 C.3 167 MET167 -0.0199 2723 CG 21.4691 33.6829 15.0821 C.3 167 MET167 -0.0047 2724 SD 19.9470 33.3760 16.0038 S.3 167 MET167 -0.1641 2725 CE 18.7671 34.1355 14.8763 C.3 167 MET167 -0.0181 2726 H 23.6200 31.7770 14.2510 H 167 MET167 0.1312 2727 HA 24.0423 34.5279 14.6945 H 167 MET167 0.0557 2728 HB1 22.5948 34.0739 16.8427 H 167 MET167 0.0293 2729 HB2 22.6185 32.3966 16.3721 H 167 MET167 0.0293 2730 HG1 21.4790 33.0722 14.1805 H 167 MET167 0.0377 2731 HG2 21.4816 34.7214 14.7486 H 167 MET167 0.0377 2732 HE1 17.8071 34.2811 15.3682 H 167 MET167 0.0340 2733 HE2 18.6320 33.5109 13.9942 H 167 MET167 0.0340 2734 HE3 19.1282 35.1132 14.5577 H 167 MET167 0.0340 2735 N 25.4400 32.6700 17.0640 N.am 168 ALA168 -0.2459 2736 CA 26.4790 32.7140 18.0970 C.3 168 ALA168 0.0850 2737 C 27.8220 33.1390 17.5010 C.2 168 ALA168 0.2185 2738 O 28.5980 33.8560 18.1310 O.2 168 ALA168 -0.2778 2739 CB 26.5789 31.3301 18.7455 C.3 168 ALA168 -0.0411 2740 H 24.9630 31.7900 16.8650 H 168 ALA168 0.1312 2741 HA 26.1789 33.4623 18.8319 H 168 ALA168 0.0554 2742 HB1 27.3274 31.3172 19.5384 H 168 ALA168 0.0249 2743 HB2 26.8476 30.5686 18.0121 H 168 ALA168 0.0249 2744 HB3 25.6239 31.0422 19.1852 H 168 ALA168 0.0249 2745 N 28.0790 32.6950 16.2770 N.am 169 SER169 -0.2436 2746 CA 29.3080 33.0310 15.5780 C.3 169 SER169 0.1109 2747 C 29.3960 34.5330 15.3350 C.2 169 SER169 0.2209 2748 O 30.4880 35.1020 15.2630 O.2 169 SER169 -0.2777 2749 CB 29.3872 32.2639 14.2495 C.3 169 SER169 0.0681 2750 OG 30.6957 32.3746 13.7018 O.3 169 SER169 -0.3930 2751 H 27.3930 32.1000 15.8130 H 169 SER169 0.1312 2752 HA 30.1354 32.7355 16.2240 H 169 SER169 0.0580 2753 HB1 28.6384 32.6452 13.5464 H 169 SER169 0.0577 2754 HB2 29.1615 31.2093 14.4330 H 169 SER169 0.0577 2755 HG 30.7400 31.9878 12.8300 H 169 SER169 0.2095 2756 N 28.2390 35.1740 15.1970 N.am 170 ARG170 -0.2456 2757 CA 28.2020 36.6230 14.9880 C.3 170 ARG170 0.0879 2758 C 27.9590 37.4180 16.2780 C.2 170 ARG170 0.2185 2759 O 27.8940 38.6470 16.2600 O.2 170 ARG170 -0.2778 2760 CB 27.0467 36.9493 14.0313 C.3 170 ARG170 -0.0258 2761 CG 27.2358 36.3833 12.6233 C.3 170 ARG170 -0.0154 2762 CD 26.0845 36.8017 11.7091 C.3 170 ARG170 0.1045 2763 NE 26.1641 36.0419 10.4791 N.pl3 170 ARG170 -0.4450 2764 CZ 26.1378 36.4597 9.2283 C.cat 170 ARG170 0.5062 2765 NH1 26.0656 37.7246 8.9170 N.pl3 170 ARG170 -0.4573 2766 NH2 26.1846 35.5587 8.2967 N.pl3 170 ARG170 -0.4573 2767 H 27.3650 34.6490 15.2370 H 170 ARG170 0.1312 2768 HA 29.1465 36.9556 14.5538 H 170 ARG170 0.0557 2769 HB1 26.9224 38.0308 13.9494 H 170 ARG170 0.0286 2770 HB2 26.1163 36.5608 14.4482 H 170 ARG170 0.0286 2771 HG1 27.2919 35.2953 12.6616 H 170 ARG170 0.0299 2772 HG2 28.1818 36.7237 12.2018 H 170 ARG170 0.0299 2773 HD1 26.0902 37.8738 11.5082 H 170 ARG170 0.0711 2774 HD2 25.1269 36.5352 12.1573 H 170 ARG170 0.0711 2775 HE 26.2398 35.0341 10.5040 H 170 ARG170 0.3153 2776 HH11 26.0488 37.9849 7.9528 H 170 ARG170 0.3114 2777 HH12 26.0290 38.4114 9.6324 H 170 ARG170 0.3114 2778 HH21 26.1892 35.7752 7.3284 H 170 ARG170 0.3114 2779 HH22 26.2102 34.6021 8.6302 H 170 ARG170 0.3114 2780 N 27.8160 36.7100 17.3930 N.am 171 GLY171 -0.2485 2781 CA 27.5780 37.3450 18.6780 C.3 171 GLY171 0.0765 2782 C 26.1380 37.7600 18.8770 C.2 171 GLY171 0.2155 2783 O 25.8190 38.5670 19.7570 O.2 171 GLY171 -0.2781 2784 H 27.8750 35.6930 17.3460 H 171 GLY171 0.1309 2785 HA1 28.2333 38.2119 18.7751 H 171 GLY171 0.0521 2786 HA2 27.8486 36.6181 19.4433 H 171 GLY171 0.0521 2787 N 25.2610 37.1900 18.0570 N.am 172 LEU172 -0.2459 2788 CA 23.8440 37.5390 18.0500 C.3 172 LEU172 0.0880 2789 C 22.9860 36.6500 18.9470 C.2 172 LEU172 0.2187 2790 O 21.8560 37.0040 19.2840 O.2 172 LEU172 -0.2778 2791 CB 23.3073 37.3896 16.6127 C.3 172 LEU172 -0.0266 2792 CG 23.9330 38.3445 15.5834 C.3 172 LEU172 -0.0449 2793 CD1 23.5192 37.9342 14.1655 C.3 172 LEU172 -0.0626 2794 CD2 23.5333 39.8007 15.8462 C.3 172 LEU172 -0.0626 2795 H 25.5920 36.4790 17.4050 H 172 LEU172 0.1312 2796 HA 23.7351 38.5687 18.3933 H 172 LEU172 0.0557 2797 HB1 22.2261 37.5350 16.5981 H 172 LEU172 0.0287 2798 HB2 23.4717 36.3625 16.2849 H 172 LEU172 0.0287 2799 HG 25.0193 38.2734 15.6444 H 172 LEU172 0.0296 2800 HD11 23.9894 38.5766 13.4205 H 172 LEU172 0.0232 2801 HD12 22.4392 38.0020 14.0348 H 172 LEU172 0.0232 2802 HD13 23.8078 36.9049 13.9544 H 172 LEU172 0.0232 2803 HD21 23.8984 40.4480 15.0508 H 172 LEU172 0.0232 2804 HD22 23.9477 40.1677 16.7849 H 172 LEU172 0.0232 2805 HD23 22.4498 39.9112 15.8867 H 172 LEU172 0.0232 2806 N 23.5140 35.4890 19.3190 N.am 173 TRP173 -0.2453 2807 CA 22.6930 34.4800 19.9890 C.3 173 TRP173 0.0918 2808 C 22.2480 34.8540 21.4020 C.2 173 TRP173 0.2190 2809 O 21.1170 34.5760 21.7890 O.2 173 TRP173 -0.2778 2810 CB 23.4588 33.1421 20.0089 C.3 173 TRP173 -0.0021 2811 CG 22.6804 32.0735 20.7554 C.ar 173 TRP173 -0.0260 2812 CD1 22.9481 31.6219 22.0518 C.ar 173 TRP173 -0.0136 2813 CD2 21.4807 31.3978 20.3265 C.ar 173 TRP173 -0.0028 2814 NE1 22.0030 30.7175 22.4151 N.ar 173 TRP173 -0.2641 2815 CE2 21.0696 30.5691 21.3974 C.ar 173 TRP173 0.0269 2816 CE3 20.7392 31.4511 19.1774 C.ar 173 TRP173 -0.0528 2817 CZ2 19.9224 29.8306 21.2900 C.ar 173 TRP173 -0.0430 2818 CZ3 19.5738 30.6929 19.0612 C.ar 173 TRP173 -0.0611 2819 CH2 19.1584 29.8922 20.1246 C.ar 173 TRP173 -0.0602 2820 H 24.4990 35.2990 19.1360 H 173 TRP173 0.1312 2821 HA 21.7910 34.3620 19.3862 H 173 TRP173 0.0560 2822 HB1 24.4331 33.2680 20.4833 H 173 TRP173 0.0334 2823 HB2 23.6398 32.8013 18.9907 H 173 TRP173 0.0334 2824 HD1 23.7677 31.9708 22.6679 H 173 TRP173 0.0748 2825 HE1 21.9703 30.2622 23.2813 H 173 TRP173 0.1331 2826 HE3 21.0557 32.0883 18.3642 H 173 TRP173 0.0624 2827 HZ2 19.6011 29.2129 22.1157 H 173 TRP173 0.0633 2828 HZ3 18.9855 30.7424 18.1555 H 173 TRP173 0.0618 2829 HH2 18.2407 29.3299 20.0511 H 173 TRP173 0.0618 2830 N 23.1240 35.4850 22.1770 N.am 174 ASP174 -0.2451 2831 CA 22.7800 35.8370 23.5510 C.3 174 ASP174 0.0974 2832 C 21.5500 36.7310 23.6520 C.2 174 ASP174 0.2193 2833 O 20.6720 36.5040 24.4840 O.2 174 ASP174 -0.2778 2834 CB 24.0172 36.3508 24.3103 C.3 174 ASP174 0.0576 2835 CG 24.6063 35.1639 25.0829 C.2 174 ASP174 0.1780 2836 OD1 24.8950 34.1372 24.4789 O.co2 174 ASP174 -0.6478 2837 OD2 24.7356 35.2408 26.2981 O.co2 174 ASP174 -0.6478 2838 H 24.0440 35.7250 21.8090 H 174 ASP174 0.1312 2839 HA 22.4368 34.8979 23.9882 H 174 ASP174 0.0563 2840 HB1 23.7610 37.1338 25.0244 H 174 ASP174 0.0394 2841 HB2 24.7725 36.7526 23.6362 H 174 ASP174 0.0394 2842 N 21.4910 37.7470 22.8020 N.am 175 SER175 -0.2436 2843 CA 20.3610 38.6590 22.8110 C.3 175 SER175 0.1109 2844 C 19.1170 37.9650 22.2500 C.2 175 SER175 0.2209 2845 O 18.0230 38.0950 22.7940 O.2 175 SER175 -0.2777 2846 CB 20.7044 39.8902 21.9603 C.3 175 SER175 0.0681 2847 OG 19.6244 40.8162 21.9782 O.3 175 SER175 -0.3930 2848 H 22.2480 37.8900 22.1340 H 175 SER175 0.1312 2849 HA 20.1683 38.9578 23.8426 H 175 SER175 0.0580 2850 HB1 20.9248 39.5806 20.9318 H 175 SER175 0.0577 2851 HB2 21.6074 40.3591 22.3660 H 175 SER175 0.0577 2852 HG 19.8203 41.5899 21.4540 H 175 SER175 0.2095 2853 N 19.2890 37.2320 21.1540 N.am 176 PHE176 -0.2453 2854 CA 18.1590 36.5540 20.5140 C.3 176 PHE176 0.0917 2855 C 17.4720 35.5700 21.4620 C.2 176 PHE176 0.2190 2856 O 16.2460 35.5570 21.5850 O.2 176 PHE176 -0.2778 2857 CB 18.6663 35.8495 19.2493 C.3 176 PHE176 -0.0036 2858 CG 17.5721 35.1010 18.5318 C.ar 176 PHE176 -0.0454 2859 CD1 16.5763 35.7817 17.8371 C.ar 176 PHE176 -0.0585 2860 CD2 17.5344 33.7121 18.5742 C.ar 176 PHE176 -0.0585 2861 CE1 15.5671 35.0821 17.1871 C.ar 176 PHE176 -0.0615 2862 CE2 16.5375 33.0103 17.9123 C.ar 176 PHE176 -0.0615 2863 CZ 15.5492 33.6950 17.2191 C.ar 176 PHE176 -0.0617 2864 H 20.2220 37.1400 20.7530 H 176 PHE176 0.1312 2865 HA 17.4454 37.3175 20.2278 H 176 PHE176 0.0560 2866 HB1 19.4799 35.1660 19.4972 H 176 PHE176 0.0333 2867 HB2 19.0916 36.5890 18.5722 H 176 PHE176 0.0333 2868 HD1 16.5851 36.8614 17.7968 H 176 PHE176 0.0620 2869 HD2 18.2946 33.1747 19.1197 H 176 PHE176 0.0620 2870 HE1 14.8044 35.6160 16.6406 H 176 PHE176 0.0618 2871 HE2 16.5345 31.9312 17.9411 H 176 PHE176 0.0618 2872 HZ 14.7727 33.1520 16.6997 H 176 PHE176 0.0618 2873 N 18.2830 34.7600 22.1310 N.am 177 ARG177 -0.2456 2874 CA 17.8090 33.7530 23.0750 C.3 177 ARG177 0.0879 2875 C 16.9260 34.3180 24.1870 C.2 177 ARG177 0.2187 2876 O 15.9500 33.6840 24.5950 O.2 177 ARG177 -0.2778 2877 CB 19.1006 33.1941 23.7124 C.3 177 ARG177 -0.0258 2878 CG 18.9309 32.2130 24.8913 C.3 177 ARG177 -0.0154 2879 CD 20.2481 31.9978 25.6540 C.3 177 ARG177 0.1045 2880 NE 20.6470 33.2483 26.3093 N.pl3 177 ARG177 -0.4450 2881 CZ 21.8974 33.6937 26.4173 C.cat 177 ARG177 0.5062 2882 NH1 22.9195 32.9967 26.0144 N.pl3 177 ARG177 -0.4573 2883 NH2 22.1216 34.8668 26.9301 N.pl3 177 ARG177 -0.4573 2884 H 19.2880 34.8450 21.9780 H 177 ARG177 0.1312 2885 HA 17.2651 32.9905 22.5250 H 177 ARG177 0.0557 2886 HB1 19.6963 34.0451 24.0469 H 177 ARG177 0.0286 2887 HB2 19.7020 32.7160 22.9389 H 177 ARG177 0.0286 2888 HG1 18.5542 31.2607 24.5170 H 177 ARG177 0.0299 2889 HG2 18.1897 32.5735 25.6038 H 177 ARG177 0.0299 2890 HD1 21.0280 31.6680 24.9636 H 177 ARG177 0.0711 2891 HD2 20.1355 31.2443 26.4364 H 177 ARG177 0.0711 2892 HE 19.9802 33.8721 26.7103 H 177 ARG177 0.3153 2893 HH11 23.8196 33.4668 25.9888 H 177 ARG177 0.3114 2894 HH12 22.8568 32.0565 25.7174 H 177 ARG177 0.3114 2895 HH21 23.0868 35.1578 26.9546 H 177 ARG177 0.3114 2896 HH22 21.4083 35.4711 27.2741 H 177 ARG177 0.3114 2897 N 17.2630 35.5010 24.6890 N.am 178 GLN178 -0.2456 2898 CA 16.5490 36.0180 25.8570 C.3 178 GLN178 0.0882 2899 C 15.5000 37.0810 25.5500 C.2 178 GLN178 0.2187 2900 O 14.8000 37.5500 26.4460 O.2 178 GLN178 -0.2778 2901 CB 17.6012 36.5301 26.8489 C.3 178 GLN178 -0.0210 2902 CG 18.4141 37.7358 26.3386 C.3 178 GLN178 0.0225 2903 CD 19.7402 37.8658 27.1026 C.2 178 GLN178 0.1981 2904 OE1 20.2756 36.8997 27.6320 O.2 178 GLN178 -0.2798 2905 NE2 20.2352 39.1113 27.1235 N.am 178 GLN178 -0.2724 2906 H 18.0140 36.0450 24.2630 H 178 GLN178 0.1312 2907 HA 16.0172 35.2013 26.3491 H 178 GLN178 0.0557 2908 HB1 18.2620 35.6882 27.0600 H 178 GLN178 0.0289 2909 HB2 17.1326 36.7842 27.8010 H 178 GLN178 0.0289 2910 HG1 17.8385 38.6557 26.4447 H 178 GLN178 0.0356 2911 HG2 18.6535 37.6367 25.2824 H 178 GLN178 0.0356 2912 HE21 21.1003 39.2835 27.5939 H 178 GLN178 0.1266 2913 HE22 19.7614 39.8714 26.6810 H 178 GLN178 0.1266 2914 N 15.3790 37.4450 24.2800 N.am 179 SER179 -0.2436 2915 CA 14.3720 38.4150 23.8800 C.3 179 SER179 0.1109 2916 C 12.9980 37.7680 23.6950 C.2 179 SER179 0.2209 2917 O 12.0190 38.4560 23.4130 O.2 179 SER179 -0.2777 2918 CB 14.8426 39.2340 22.6784 C.3 179 SER179 0.0681 2919 OG 15.3041 38.3980 21.6241 O.3 179 SER179 -0.3930 2920 H 15.9980 37.0410 23.5780 H 179 SER179 0.1312 2921 HA 14.2483 39.1216 24.7034 H 179 SER179 0.0580 2922 HB1 15.6350 39.9022 23.0470 H 179 SER179 0.0577 2923 HB2 14.0340 39.8739 22.3090 H 179 SER179 0.0577 2924 HG 15.9118 38.8941 21.0833 H 179 SER179 0.2095 2925 N 12.9170 36.4490 23.8590 N.am 180 GLU180 -0.2456 2926 CA 11.6510 35.7630 23.6160 C.3 180 GLU180 0.0883 2927 C 10.5700 36.0720 24.6520 C.2 180 GLU180 0.2186 2928 O 10.8230 36.0610 25.8520 O.2 180 GLU180 -0.2778 2929 CB 11.7580 34.2343 23.5010 C.3 180 GLU180 -0.0193 2930 CG 10.4259 33.6852 22.9395 C.3 180 GLU180 0.0356 2931 CD 10.4705 32.2287 22.5127 C.2 180 GLU180 0.1760 2932 OE1 11.2081 31.9058 21.5930 O.co2 180 GLU180 -0.6478 2933 OE2 9.7544 31.4316 23.0982 O.co2 180 GLU180 -0.6478 2934 H 13.7370 35.9190 24.1540 H 180 GLU180 0.1312 2935 HA 11.3057 36.1447 22.6525 H 180 GLU180 0.0557 2936 HB1 11.9792 33.7809 24.4685 H 180 GLU180 0.0290 2937 HB2 12.5896 33.9656 22.8567 H 180 GLU180 0.0290 2938 HG1 10.1137 34.2565 22.0663 H 180 GLU180 0.0374 2939 HG2 9.6287 33.7834 23.6756 H 180 GLU180 0.0374 2940 N 9.3650 36.3280 24.1500 N.am 181 ARG181 -0.2473 2941 CA 8.1990 36.6800 24.9560 C.3 181 ARG181 0.0700 2942 C 8.3770 38.0050 25.6880 C.2 181 ARG181 0.1375 2943 O 7.7590 39.0040 25.3200 O.2 181 ARG181 -0.2994 2944 CB 7.7582 35.5257 25.8817 C.3 181 ARG181 -0.0274 2945 CG 6.5381 35.8795 26.7523 C.3 181 ARG181 -0.0154 2946 CD 5.9669 34.6819 27.5231 C.3 181 ARG181 0.1045 2947 NE 5.1311 35.1688 28.6234 N.pl3 181 ARG181 -0.4450 2948 CZ 4.4383 34.3602 29.4215 C.cat 181 ARG181 0.5062 2949 NH1 4.3592 33.0878 29.1871 N.pl3 181 ARG181 -0.4573 2950 NH2 3.8238 34.8405 30.4670 N.pl3 181 ARG181 -0.4573 2951 H 9.2480 36.2750 23.1380 H 181 ARG181 0.1311 2952 HA 7.4122 36.8509 24.2203 H 181 ARG181 0.0540 2953 H 9.0620 38.0690 26.5500 H 181 ARG181 0.1043 2954 HB1 8.5808 35.2270 26.5317 H 181 ARG181 0.0285 2955 HB2 7.5299 34.6548 25.2660 H 181 ARG181 0.0285 2956 HG1 5.7526 36.3179 26.1355 H 181 ARG181 0.0299 2957 HG2 6.8318 36.6509 27.4651 H 181 ARG181 0.0299 2958 HD1 6.7696 34.0840 27.9630 H 181 ARG181 0.0711 2959 HD2 5.3713 34.0384 26.8695 H 181 ARG181 0.0711 2960 HE 5.0828 36.1480 28.8105 H 181 ARG181 0.3153 2961 HH11 3.9641 32.4254 29.8275 H 181 ARG181 0.3114 2962 HH12 4.6890 32.6523 28.3477 H 181 ARG181 0.3114 2963 HH21 3.3110 34.2114 31.0478 H 181 ARG181 0.3114 2964 HH22 3.8637 35.8109 30.6862 H 181 ARG181 0.3114 2965 MN 3.1440 28.8340 14.8580 Mn 182 MN182 2.0000 2966 MN 0.9650 30.9830 12.7160 Mn 183 MN183 2.0000 2967 O -0.6180 31.1480 11.0960 O.t3p 184 HOH215 -0.4105 2968 H1 0.3320 31.1480 11.0960 H.t3p 184 HOH215 0.2052 2969 H2 -0.8640 32.0660 11.0960 H.t3p 184 HOH215 0.2052 2970 O -0.2990 29.9680 13.7100 O.t3p 185 HOH230 -0.4105 2971 H1 0.6510 29.9680 13.7100 H.t3p 185 HOH230 0.2052 2972 H2 -0.5450 30.8860 13.7100 H.t3p 185 HOH230 0.2052 @BOND 1 1 2 1 2 1 5 1 3 1 6 1 4 1 7 1 5 2 3 1 6 2 8 1 7 2 9 1 8 3 4 2 9 3 10 am 10 10 16 1 11 10 11 1 12 11 14 1 13 11 12 1 14 11 17 1 15 12 13 2 16 12 24 am 17 14 15 1 18 14 18 1 19 14 19 1 20 15 16 1 21 15 20 1 22 15 21 1 23 16 22 1 24 16 23 1 25 24 25 1 26 24 32 1 27 25 28 1 28 25 26 1 29 25 33 1 30 26 27 2 31 26 43 am 32 28 29 1 33 28 34 1 34 28 35 1 35 29 30 1 36 29 31 1 37 29 36 1 38 30 37 1 39 30 38 1 40 30 39 1 41 31 40 1 42 31 41 1 43 31 42 1 44 43 44 1 45 43 47 1 46 44 45 1 47 44 48 1 48 44 49 1 49 45 46 2 50 45 50 am 51 50 51 1 52 50 56 1 53 51 54 1 54 51 52 1 55 51 57 1 56 52 53 2 57 52 61 am 58 54 55 1 59 54 58 1 60 54 59 1 61 55 60 1 62 61 62 1 63 61 69 1 64 62 65 1 65 62 63 1 66 62 70 1 67 63 64 2 68 63 78 am 69 65 66 1 70 65 71 1 71 65 72 1 72 66 67 1 73 66 73 1 74 66 74 1 75 67 68 1 76 68 75 1 77 68 76 1 78 68 77 1 79 78 79 1 80 78 87 1 81 79 82 1 82 79 80 1 83 79 88 1 84 80 81 2 85 80 93 am 86 82 83 1 87 82 89 1 88 82 90 1 89 83 84 1 90 83 91 1 91 83 92 1 92 84 85 ar 93 84 86 ar 94 93 94 1 95 93 101 1 96 94 97 1 97 94 95 1 98 94 102 1 99 95 96 2 100 95 105 am 101 97 98 1 102 97 103 1 103 97 104 1 104 98 99 ar 105 98 100 ar 106 105 106 1 107 105 116 1 108 106 109 1 109 106 107 1 110 106 117 1 111 107 108 2 112 107 125 am 113 109 110 1 114 109 118 1 115 109 119 1 116 110 111 ar 117 110 112 ar 118 111 113 ar 119 111 120 1 120 112 114 ar 121 112 121 1 122 113 115 ar 123 113 122 1 124 114 115 ar 125 114 123 1 126 115 124 1 127 125 126 1 128 125 132 1 129 126 129 1 130 126 127 1 131 126 133 1 132 127 128 2 133 127 141 am 134 129 130 1 135 129 131 1 136 129 134 1 137 130 135 1 138 130 136 1 139 130 137 1 140 131 138 1 141 131 139 1 142 131 140 1 143 141 142 1 144 141 152 1 145 142 145 1 146 142 143 1 147 142 153 1 148 143 144 2 149 143 165 am 150 145 146 1 151 145 154 1 152 145 155 1 153 146 147 1 154 146 156 1 155 146 157 1 156 147 148 1 157 147 158 1 158 147 159 1 159 148 149 ar 160 148 160 1 161 149 150 ar 162 149 151 ar 163 150 161 1 164 150 162 1 165 151 163 1 166 151 164 1 167 165 166 1 168 165 174 1 169 166 169 1 170 166 167 1 171 166 175 1 172 167 168 2 173 167 182 am 174 169 170 1 175 169 176 1 176 169 177 1 177 170 171 1 178 170 178 1 179 170 179 1 180 171 172 2 181 171 173 am 182 173 180 1 183 173 181 1 184 182 183 1 185 182 188 1 186 183 186 1 187 183 184 1 188 183 189 1 189 184 185 2 190 184 193 am 191 186 187 1 192 186 190 1 193 186 191 1 194 187 192 1 195 193 194 1 196 193 204 1 197 194 197 1 198 194 195 1 199 194 205 1 200 195 196 2 201 195 213 am 202 197 198 1 203 197 206 1 204 197 207 1 205 198 199 ar 206 198 200 ar 207 199 201 ar 208 199 208 1 209 200 202 ar 210 200 209 1 211 201 203 ar 212 201 210 1 213 202 203 ar 214 202 211 1 215 203 212 1 216 213 214 1 217 213 221 1 218 214 217 1 219 214 215 1 220 214 222 1 221 215 216 2 222 215 227 am 223 217 218 1 224 217 223 1 225 217 224 1 226 218 219 2 227 218 220 am 228 220 225 1 229 220 226 1 230 227 233 1 231 227 228 1 232 228 231 1 233 228 229 1 234 228 234 1 235 229 230 2 236 229 241 am 237 231 232 1 238 231 235 1 239 231 236 1 240 232 233 1 241 232 237 1 242 232 238 1 243 233 239 1 244 233 240 1 245 241 242 1 246 241 249 1 247 242 245 1 248 242 243 1 249 242 250 1 250 243 244 2 251 243 258 am 252 245 246 1 253 245 251 1 254 245 252 1 255 246 247 1 256 246 253 1 257 246 254 1 258 247 248 1 259 248 255 1 260 248 256 1 261 248 257 1 262 258 259 1 263 258 266 1 264 259 262 1 265 259 260 1 266 259 267 1 267 260 261 2 268 260 277 am 269 262 264 1 270 262 263 1 271 262 268 1 272 263 265 1 273 263 269 1 274 263 270 1 275 264 271 1 276 264 272 1 277 264 273 1 278 265 274 1 279 265 275 1 280 265 276 1 281 277 278 1 282 277 284 1 283 278 281 1 284 278 279 1 285 278 285 1 286 279 280 2 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2596 1 2628 2595 2597 1 2629 2595 2602 1 2630 2596 2603 1 2631 2596 2604 1 2632 2596 2605 1 2633 2597 2606 1 2634 2597 2607 1 2635 2597 2608 1 2636 2609 2610 1 2637 2609 2620 1 2638 2610 2613 1 2639 2610 2611 1 2640 2610 2621 1 2641 2611 2612 2 2642 2611 2629 am 2643 2613 2614 1 2644 2613 2622 1 2645 2613 2623 1 2646 2614 2615 ar 2647 2614 2616 ar 2648 2615 2617 ar 2649 2615 2624 1 2650 2616 2618 ar 2651 2616 2625 1 2652 2617 2619 ar 2653 2617 2626 1 2654 2618 2619 ar 2655 2618 2627 1 2656 2619 2628 1 2657 2629 2630 1 2658 2629 2636 1 2659 2630 2633 1 2660 2630 2631 1 2661 2630 2637 1 2662 2631 2632 2 2663 2631 2643 am 2664 2633 2635 1 2665 2633 2634 1 2666 2633 2638 1 2667 2634 2639 1 2668 2635 2640 1 2669 2635 2641 1 2670 2635 2642 1 2671 2643 2644 1 2672 2643 2651 1 2673 2644 2647 1 2674 2644 2645 1 2675 2644 2652 1 2676 2645 2646 2 2677 2645 2662 am 2678 2647 2649 1 2679 2647 2648 1 2680 2647 2653 1 2681 2648 2650 1 2682 2648 2654 1 2683 2648 2655 1 2684 2649 2656 1 2685 2649 2657 1 2686 2649 2658 1 2687 2650 2659 1 2688 2650 2660 1 2689 2650 2661 1 2690 2662 2663 1 2691 2662 2673 1 2692 2663 2666 1 2693 2663 2664 1 2694 2663 2674 1 2695 2664 2665 2 2696 2664 2686 am 2697 2666 2667 1 2698 2666 2675 1 2699 2666 2676 1 2700 2667 2668 1 2701 2667 2677 1 2702 2667 2678 1 2703 2668 2669 1 2704 2668 2679 1 2705 2668 2680 1 2706 2669 2670 ar 2707 2669 2681 1 2708 2670 2671 ar 2709 2670 2672 ar 2710 2671 2682 1 2711 2671 2683 1 2712 2672 2684 1 2713 2672 2685 1 2714 2686 2687 1 2715 2686 2695 1 2716 2687 2690 1 2717 2687 2688 1 2718 2687 2696 1 2719 2688 2689 2 2720 2688 2703 am 2721 2690 2691 1 2722 2690 2697 1 2723 2690 2698 1 2724 2691 2692 1 2725 2691 2699 1 2726 2691 2700 1 2727 2692 2693 2 2728 2692 2694 am 2729 2694 2701 1 2730 2694 2702 1 2731 2703 2704 1 2732 2703 2712 1 2733 2704 2707 1 2734 2704 2705 1 2735 2704 2713 1 2736 2705 2706 2 2737 2705 2718 am 2738 2707 2708 1 2739 2707 2714 1 2740 2707 2715 1 2741 2708 2709 1 2742 2708 2716 1 2743 2708 2717 1 2744 2709 2710 ar 2745 2709 2711 ar 2746 2718 2719 1 2747 2718 2726 1 2748 2719 2722 1 2749 2719 2720 1 2750 2719 2727 1 2751 2720 2721 2 2752 2720 2735 am 2753 2722 2723 1 2754 2722 2728 1 2755 2722 2729 1 2756 2723 2724 1 2757 2723 2730 1 2758 2723 2731 1 2759 2724 2725 1 2760 2725 2732 1 2761 2725 2733 1 2762 2725 2734 1 2763 2735 2736 1 2764 2735 2740 1 2765 2736 2739 1 2766 2736 2737 1 2767 2736 2741 1 2768 2737 2738 2 2769 2737 2745 am 2770 2739 2742 1 2771 2739 2743 1 2772 2739 2744 1 2773 2745 2746 1 2774 2745 2751 1 2775 2746 2749 1 2776 2746 2747 1 2777 2746 2752 1 2778 2747 2748 2 2779 2747 2756 am 2780 2749 2750 1 2781 2749 2753 1 2782 2749 2754 1 2783 2750 2755 1 2784 2756 2757 1 2785 2756 2767 1 2786 2757 2760 1 2787 2757 2758 1 2788 2757 2768 1 2789 2758 2759 2 2790 2758 2780 am 2791 2760 2761 1 2792 2760 2769 1 2793 2760 2770 1 2794 2761 2762 1 2795 2761 2771 1 2796 2761 2772 1 2797 2762 2763 1 2798 2762 2773 1 2799 2762 2774 1 2800 2763 2764 ar 2801 2763 2775 1 2802 2764 2765 ar 2803 2764 2766 ar 2804 2765 2776 1 2805 2765 2777 1 2806 2766 2778 1 2807 2766 2779 1 2808 2780 2781 1 2809 2780 2784 1 2810 2781 2782 1 2811 2781 2785 1 2812 2781 2786 1 2813 2782 2783 2 2814 2782 2787 am 2815 2787 2788 1 2816 2787 2795 1 2817 2788 2791 1 2818 2788 2789 1 2819 2788 2796 1 2820 2789 2790 2 2821 2789 2806 am 2822 2791 2792 1 2823 2791 2797 1 2824 2791 2798 1 2825 2792 2793 1 2826 2792 2794 1 2827 2792 2799 1 2828 2793 2800 1 2829 2793 2801 1 2830 2793 2802 1 2831 2794 2803 1 2832 2794 2804 1 2833 2794 2805 1 2834 2806 2807 1 2835 2806 2820 1 2836 2807 2810 1 2837 2807 2808 1 2838 2807 2821 1 2839 2808 2809 2 2840 2808 2830 am 2841 2810 2811 1 2842 2810 2822 1 2843 2810 2823 1 2844 2811 2812 ar 2845 2811 2813 ar 2846 2812 2814 ar 2847 2812 2824 1 2848 2813 2815 ar 2849 2813 2816 ar 2850 2814 2815 ar 2851 2814 2825 1 2852 2815 2817 ar 2853 2816 2818 ar 2854 2816 2826 1 2855 2817 2819 ar 2856 2817 2827 1 2857 2818 2819 ar 2858 2818 2828 1 2859 2819 2829 1 2860 2830 2831 1 2861 2830 2838 1 2862 2831 2834 1 2863 2831 2832 1 2864 2831 2839 1 2865 2832 2833 2 2866 2832 2842 am 2867 2834 2835 1 2868 2834 2840 1 2869 2834 2841 1 2870 2835 2836 ar 2871 2835 2837 ar 2872 2842 2843 1 2873 2842 2848 1 2874 2843 2846 1 2875 2843 2844 1 2876 2843 2849 1 2877 2844 2845 2 2878 2844 2853 am 2879 2846 2847 1 2880 2846 2850 1 2881 2846 2851 1 2882 2847 2852 1 2883 2853 2854 1 2884 2853 2864 1 2885 2854 2857 1 2886 2854 2855 1 2887 2854 2865 1 2888 2855 2856 2 2889 2855 2873 am 2890 2857 2858 1 2891 2857 2866 1 2892 2857 2867 1 2893 2858 2859 ar 2894 2858 2860 ar 2895 2859 2861 ar 2896 2859 2868 1 2897 2860 2862 ar 2898 2860 2869 1 2899 2861 2863 ar 2900 2861 2870 1 2901 2862 2863 ar 2902 2862 2871 1 2903 2863 2872 1 2904 2873 2874 1 2905 2873 2884 1 2906 2874 2877 1 2907 2874 2875 1 2908 2874 2885 1 2909 2875 2876 2 2910 2875 2897 am 2911 2877 2878 1 2912 2877 2886 1 2913 2877 2887 1 2914 2878 2879 1 2915 2878 2888 1 2916 2878 2889 1 2917 2879 2880 1 2918 2879 2890 1 2919 2879 2891 1 2920 2880 2881 ar 2921 2880 2892 1 2922 2881 2882 ar 2923 2881 2883 ar 2924 2882 2893 1 2925 2882 2894 1 2926 2883 2895 1 2927 2883 2896 1 2928 2897 2898 1 2929 2897 2906 1 2930 2898 2901 1 2931 2898 2899 1 2932 2898 2907 1 2933 2899 2900 2 2934 2899 2914 am 2935 2901 2902 1 2936 2901 2908 1 2937 2901 2909 1 2938 2902 2903 1 2939 2902 2910 1 2940 2902 2911 1 2941 2903 2904 2 2942 2903 2905 am 2943 2905 2912 1 2944 2905 2913 1 2945 2914 2915 1 2946 2914 2920 1 2947 2915 2918 1 2948 2915 2916 1 2949 2915 2921 1 2950 2916 2917 2 2951 2916 2925 am 2952 2918 2919 1 2953 2918 2922 1 2954 2918 2923 1 2955 2919 2924 1 2956 2925 2926 1 2957 2925 2934 1 2958 2926 2929 1 2959 2926 2927 1 2960 2926 2935 1 2961 2927 2928 2 2962 2927 2940 am 2963 2929 2930 1 2964 2929 2936 1 2965 2929 2937 1 2966 2930 2931 1 2967 2930 2938 1 2968 2930 2939 1 2969 2931 2932 ar 2970 2931 2933 ar 2971 2940 2941 1 2972 2940 2951 1 2973 2941 2944 1 2974 2941 2942 1 2975 2941 2952 1 2976 2942 2943 2 2977 2942 2953 1 2978 2944 2945 1 2979 2944 2954 1 2980 2944 2955 1 2981 2945 2946 1 2982 2945 2956 1 2983 2945 2957 1 2984 2946 2947 1 2985 2946 2958 1 2986 2946 2959 1 2987 2947 2948 ar 2988 2947 2960 1 2989 2948 2949 ar 2990 2948 2950 ar 2991 2949 2961 1 2992 2949 2962 1 2993 2950 2963 1 2994 2950 2964 1 2995 2967 2968 1 2996 2967 2969 1 2997 2970 2971 1 2998 2970 2972 1 @SUBSTRUCTURE 1 GLY1 2 RESIDUE 1 A GLY 1 ROOT 2 PRO2 11 RESIDUE 1 A PRO 2 3 LEU3 25 RESIDUE 1 A LEU 2 4 GLY4 44 RESIDUE 1 A GLY 2 5 SER5 51 RESIDUE 1 A SER 2 6 MET6 62 RESIDUE 1 A MET 2 7 GLU7 79 RESIDUE 1 A GLU 2 8 ASP8 94 RESIDUE 1 A ASP 2 9 PHE9 106 RESIDUE 1 A PHE 2 10 VAL10 126 RESIDUE 1 A VAL 2 11 ARG11 142 RESIDUE 1 A ARG 2 12 GLN12 166 RESIDUE 1 A GLN 2 13 CYS13 183 RESIDUE 1 A CYS 2 14 PHE14 194 RESIDUE 1 A PHE 2 15 ASN15 214 RESIDUE 1 A ASN 2 16 PRO16 228 RESIDUE 1 A PRO 2 17 MET17 242 RESIDUE 1 A MET 2 18 ILE18 259 RESIDUE 1 A ILE 2 19 VAL19 278 RESIDUE 1 A VAL 2 20 GLU20 294 RESIDUE 1 A GLU 2 21 LEU21 309 RESIDUE 1 A LEU 2 22 ALA22 328 RESIDUE 1 A ALA 2 23 GLU23 338 RESIDUE 1 A GLU 2 24 LYS24 353 RESIDUE 1 A LYS 2 25 THR25 375 RESIDUE 1 A THR 2 26 MET26 389 RESIDUE 1 A MET 2 27 LYS27 406 RESIDUE 1 A LYS 2 28 GLU28 428 RESIDUE 1 A GLU 2 29 TYR29 443 RESIDUE 1 A TYR 2 30 GLY30 464 RESIDUE 1 A GLY 2 31 GLU31 471 RESIDUE 1 A GLU 2 32 ASP32 486 RESIDUE 1 A ASP 2 33 LEU33 498 RESIDUE 1 A LEU 2 34 LYS34 517 RESIDUE 1 A LYS 2 35 ILE35 539 RESIDUE 1 A ILE 2 36 GLU36 558 RESIDUE 1 A GLU 2 37 THR37 573 RESIDUE 1 A THR 2 38 ASN38 587 RESIDUE 1 A ASN 2 39 LYS39 601 RESIDUE 1 A LYS 2 40 PHE40 623 RESIDUE 1 A PHE 2 41 ALA41 643 RESIDUE 1 A ALA 2 42 ALA42 653 RESIDUE 1 A ALA 2 43 ILE43 663 RESIDUE 1 A ILE 2 44 CYS44 682 RESIDUE 1 A CYS 2 45 THR45 693 RESIDUE 1 A THR 2 46 HIS46 707 RESIDUE 1 A HIS 2 47 LEU47 724 RESIDUE 1 A LEU 2 48 GLU48 743 RESIDUE 1 A GLU 2 49 VAL49 758 RESIDUE 1 A VAL 2 50 CYS50 774 RESIDUE 1 A CYS 2 51 PHE51 785 RESIDUE 1 A PHE 2 52 MET52 805 RESIDUE 1 A MET 2 53 TYR53 822 RESIDUE 1 A TYR 2 54 SER54 843 RESIDUE 1 A SER 2 55 ASP55 854 RESIDUE 1 A ASP 2 56 ALA56 866 RESIDUE 1 A ALA 2 57 SER57 876 RESIDUE 1 A SER 2 58 LYS58 887 RESIDUE 1 A LYS 2 59 HIS59 909 RESIDUE 1 A HIS 2 60 ARG60 926 RESIDUE 1 A ARG 2 61 PHE61 950 RESIDUE 1 A PHE 2 62 GLU62 970 RESIDUE 1 A GLU 2 63 ILE63 985 RESIDUE 1 A ILE 2 64 ILE64 1004 RESIDUE 1 A ILE 2 65 GLU65 1023 RESIDUE 1 A GLU 2 66 GLY66 1038 RESIDUE 1 A GLY 2 67 ARG67 1045 RESIDUE 1 A ARG 2 68 ASP68 1069 RESIDUE 1 A ASP 2 69 ARG69 1081 RESIDUE 1 A ARG 2 70 THR70 1105 RESIDUE 1 A THR 2 71 MET71 1119 RESIDUE 1 A MET 2 72 ALA72 1136 RESIDUE 1 A ALA 2 73 TRP73 1146 RESIDUE 1 A TRP 2 74 THR74 1170 RESIDUE 1 A THR 2 75 VAL75 1184 RESIDUE 1 A VAL 2 76 VAL76 1200 RESIDUE 1 A VAL 2 77 ASN77 1216 RESIDUE 1 A ASN 2 78 SER78 1230 RESIDUE 1 A SER 2 79 ILE79 1241 RESIDUE 1 A ILE 2 80 CYS80 1260 RESIDUE 1 A CYS 2 81 ASN81 1271 RESIDUE 1 A ASN 2 82 THR82 1285 RESIDUE 1 A THR 2 83 THR83 1299 RESIDUE 1 A THR 2 84 GLY84 1313 RESIDUE 1 A GLY 2 85 ALA85 1320 RESIDUE 1 A ALA 2 86 GLU86 1330 RESIDUE 1 A GLU 2 87 LYS87 1345 RESIDUE 1 A LYS 2 88 PRO88 1367 RESIDUE 1 A PRO 2 89 LYS89 1381 RESIDUE 1 A LYS 2 90 PHE90 1403 RESIDUE 1 A PHE 2 91 LEU91 1423 RESIDUE 1 A LEU 2 92 PRO92 1442 RESIDUE 1 A PRO 2 93 ASP93 1456 RESIDUE 1 A ASP 2 94 LEU94 1468 RESIDUE 1 A LEU 2 95 TYR95 1487 RESIDUE 1 A TYR 2 96 ASP96 1508 RESIDUE 1 A ASP 2 97 TYR97 1520 RESIDUE 1 A TYR 2 98 LYS98 1541 RESIDUE 1 A LYS 2 99 GLU99 1563 RESIDUE 1 A GLU 2 100 ASN100 1578 RESIDUE 1 A ASN 2 101 ARG101 1592 RESIDUE 1 A ARG 2 102 PHE102 1616 RESIDUE 1 A PHE 2 103 ILE103 1636 RESIDUE 1 A ILE 2 104 GLU104 1655 RESIDUE 1 A GLU 2 105 ILE105 1670 RESIDUE 1 A ILE 2 106 GLY106 1689 RESIDUE 1 A GLY 2 107 VAL107 1696 RESIDUE 1 A VAL 2 108 THR108 1712 RESIDUE 1 A THR 2 109 ARG109 1726 RESIDUE 1 A ARG 2 110 ARG110 1750 RESIDUE 1 A ARG 2 111 GLU111 1774 RESIDUE 1 A GLU 2 112 VAL112 1789 RESIDUE 1 A VAL 2 113 HIS113 1805 RESIDUE 1 A HIS 2 114 ILE114 1822 RESIDUE 1 A ILE 2 115 TYR115 1841 RESIDUE 1 A TYR 2 116 TYR116 1862 RESIDUE 1 A TYR 2 117 LEU117 1883 RESIDUE 1 A LEU 2 118 GLU118 1902 RESIDUE 1 A GLU 2 119 LYS119 1917 RESIDUE 1 A LYS 2 120 ALA120 1939 RESIDUE 1 A ALA 2 121 ASN121 1949 RESIDUE 1 A ASN 2 122 LYS122 1963 RESIDUE 1 A LYS 2 123 ILE123 1985 RESIDUE 1 A ILE 2 124 LYS124 2004 RESIDUE 1 A LYS 2 125 SER125 2026 RESIDUE 1 A SER 2 126 GLU126 2037 RESIDUE 1 A GLU 2 127 LYS127 2052 RESIDUE 1 A LYS 2 128 THR128 2074 RESIDUE 1 A THR 2 129 HIS129 2088 RESIDUE 1 A HIS 2 130 ILE130 2105 RESIDUE 1 A ILE 2 131 HIS131 2124 RESIDUE 1 A HIS 2 132 ILE132 2141 RESIDUE 1 A ILE 2 133 PHE133 2160 RESIDUE 1 A PHE 2 134 SER134 2180 RESIDUE 1 A SER 2 135 PHE135 2191 RESIDUE 1 A PHE 2 136 THR136 2211 RESIDUE 1 A THR 2 137 GLY137 2225 RESIDUE 1 A GLY 2 138 GLU138 2232 RESIDUE 1 A GLU 2 139 GLU139 2247 RESIDUE 1 A GLU 2 140 MET140 2262 RESIDUE 1 A MET 2 141 ALA141 2279 RESIDUE 1 A ALA 2 142 THR142 2289 RESIDUE 1 A THR 2 143 LYS143 2303 RESIDUE 1 A LYS 2 144 ALA144 2325 RESIDUE 1 A ALA 2 145 ASP145 2335 RESIDUE 1 A ASP 2 146 TYR146 2347 RESIDUE 1 A TYR 2 147 THR147 2368 RESIDUE 1 A THR 2 148 LEU148 2382 RESIDUE 1 A LEU 2 149 ASP149 2401 RESIDUE 1 A ASP 2 150 GLU150 2413 RESIDUE 1 A GLU 2 151 GLU151 2428 RESIDUE 1 A GLU 2 152 SER152 2443 RESIDUE 1 A SER 2 153 ARG153 2454 RESIDUE 1 A ARG 2 154 ALA154 2478 RESIDUE 1 A ALA 2 155 ARG155 2488 RESIDUE 1 A ARG 2 156 ILE156 2512 RESIDUE 1 A ILE 2 157 LYS157 2531 RESIDUE 1 A LYS 2 158 THR158 2553 RESIDUE 1 A THR 2 159 ARG159 2567 RESIDUE 1 A ARG 2 160 LEU160 2591 RESIDUE 1 A LEU 2 161 PHE161 2610 RESIDUE 1 A PHE 2 162 THR162 2630 RESIDUE 1 A THR 2 163 ILE163 2644 RESIDUE 1 A ILE 2 164 ARG164 2663 RESIDUE 1 A ARG 2 165 GLN165 2687 RESIDUE 1 A GLN 2 166 GLU166 2704 RESIDUE 1 A GLU 2 167 MET167 2719 RESIDUE 1 A MET 2 168 ALA168 2736 RESIDUE 1 A ALA 2 169 SER169 2746 RESIDUE 1 A SER 2 170 ARG170 2757 RESIDUE 1 A ARG 2 171 GLY171 2781 RESIDUE 1 A GLY 2 172 LEU172 2788 RESIDUE 1 A LEU 2 173 TRP173 2807 RESIDUE 1 A TRP 2 174 ASP174 2831 RESIDUE 1 A ASP 2 175 SER175 2843 RESIDUE 1 A SER 2 176 PHE176 2854 RESIDUE 1 A PHE 2 177 ARG177 2874 RESIDUE 1 A ARG 2 178 GLN178 2898 RESIDUE 1 A GLN 2 179 SER179 2915 RESIDUE 1 A SER 2 180 GLU180 2926 RESIDUE 1 A GLU 2 181 ARG181 2941 RESIDUE 1 A ARG 1 182 MN182 2965 RESIDUE 1 A MN 0 ROOT 183 MN183 2966 RESIDUE 1 A MN 0 ROOT 184 HOH215 2967 RESIDUE 1 A HOH 0 ROOT 185 HOH230 2970 RESIDUE 1 A HOH 0 ROOT