#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 4KJU_min 1290 1313 83 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 12.2760 14.2830 24.9970 N.4 1 GLY1 -0.0668 2 CA 12.1770 14.4320 23.5120 C.3 1 GLY1 0.1826 3 C 13.4950 14.2510 22.7770 C.2 1 GLY1 0.2284 4 O 14.5590 14.1970 23.3860 O.2 1 GLY1 -0.2776 5 H1 11.3493 14.4431 25.4421 H 1 GLY1 0.2747 6 H2 12.9658 14.9721 25.3649 H 1 GLY1 0.2747 7 H3 12.6193 13.3281 25.2305 H 1 GLY1 0.2747 8 HA1 11.7942 15.4288 23.2849 H 1 GLY1 0.0654 9 HA2 11.4601 13.7018 23.1318 H 1 GLY1 0.0654 10 N 13.4330 14.1920 21.4430 N.am 2 THR2 -0.2432 11 CA 14.6310 13.8200 20.6790 C.3 2 THR2 0.1135 12 C 15.4580 15.0410 20.2250 C.2 2 THR2 0.2212 13 O 16.5440 14.9060 19.7670 O.2 2 THR2 -0.2777 14 CB 14.1755 13.0430 19.4288 C.3 2 THR2 0.0763 15 OG1 13.1505 13.7998 18.8002 O.3 2 THR2 -0.3900 16 CG2 13.6476 11.6453 19.7881 C.3 2 THR2 -0.0370 17 H 12.5600 14.4040 20.9590 H 2 THR2 0.1313 18 HA 15.2798 13.1869 21.2873 H 2 THR2 0.0583 19 HB 15.0337 12.9280 18.7527 H 2 THR2 0.0611 20 HG1 12.9019 13.4061 17.9673 H 2 THR2 0.2098 21 HG21 13.3957 11.0708 18.8961 H 2 THR2 0.0255 22 HG22 12.7530 11.7050 20.4076 H 2 THR2 0.0255 23 HG23 14.3979 11.0756 20.3366 H 2 THR2 0.0255 24 N 14.8480 16.2200 20.3110 N.am 3 ILE3 -0.2453 25 CA 15.5280 17.5250 20.1540 C.3 3 ILE3 0.0903 26 C 15.3870 18.3520 21.4420 C.2 3 ILE3 0.2189 27 O 14.5620 18.0870 22.3280 O.2 3 ILE3 -0.2778 28 CB 14.9284 18.2723 18.9421 C.3 3 ILE3 -0.0201 29 CG1 13.3925 18.3962 19.0361 C.3 3 ILE3 -0.0514 30 CG2 15.3506 17.5926 17.6302 C.3 3 ILE3 -0.0605 31 CD1 12.8049 19.4089 18.0491 C.3 3 ILE3 -0.0650 32 H 13.8450 16.2250 20.4980 H 3 ILE3 0.1312 33 HA 16.5937 17.3461 19.9962 H 3 ILE3 0.0560 34 HB 15.3493 19.2790 18.9271 H 3 ILE3 0.0318 35 HG11 13.1045 18.7059 20.0407 H 3 ILE3 0.0266 36 HG12 12.9278 17.4232 18.8726 H 3 ILE3 0.0266 37 HG21 15.0370 18.1705 16.7612 H 3 ILE3 0.0233 38 HG22 14.9181 16.5956 17.5407 H 3 ILE3 0.0233 39 HG23 16.4345 17.4884 17.5746 H 3 ILE3 0.0233 40 HD11 11.7215 19.4694 18.1537 H 3 ILE3 0.0230 41 HD12 13.0213 19.1426 17.0149 H 3 ILE3 0.0230 42 HD13 13.2091 20.4014 18.2365 H 3 ILE3 0.0230 43 N 16.2190 19.3390 21.5820 N.am 4 TYR4 -0.2453 44 CA 16.1780 20.1510 22.8090 C.3 4 TYR4 0.0920 45 C 16.7170 21.5300 22.4450 C.2 4 TYR4 0.2217 46 O 17.7980 21.6540 21.9300 O.2 4 TYR4 -0.2776 47 CB 17.0508 19.4763 23.8840 C.3 4 TYR4 -0.0036 48 CG 17.0930 20.2494 25.1769 C.ar 4 TYR4 -0.0453 49 CD1 18.1762 21.0728 25.4684 C.ar 4 TYR4 -0.0561 50 CD2 16.0462 20.1639 26.0905 C.ar 4 TYR4 -0.0561 51 CE1 18.2069 21.8093 26.6453 C.ar 4 TYR4 -0.0317 52 CE2 16.0735 20.9044 27.2666 C.ar 4 TYR4 -0.0317 53 CZ 17.1540 21.7298 27.5422 C.ar 4 TYR4 0.0726 54 OH 17.1857 22.4776 28.7008 O.3 4 TYR4 -0.3598 55 H 16.8950 19.5500 20.8480 H 4 TYR4 0.1312 56 HA 15.1427 20.2183 23.1375 H 4 TYR4 0.0560 57 HB1 18.0670 19.3392 23.5112 H 4 TYR4 0.0333 58 HB2 16.6697 18.4762 24.0911 H 4 TYR4 0.0333 59 HD1 18.9878 21.1664 24.7620 H 4 TYR4 0.0621 60 HD2 15.1953 19.5346 25.8766 H 4 TYR4 0.0621 61 HE1 19.0371 22.4655 26.8572 H 4 TYR4 0.0643 62 HE2 15.2530 20.8463 27.9655 H 4 TYR4 0.0643 63 HH 16.4247 22.2826 29.2312 H 4 TYR4 0.2173 64 N 15.9740 22.6020 22.7920 N.am 5 PRO5 -0.2316 65 CA 16.4640 23.9420 22.5010 C.3 5 PRO5 0.0907 66 C 17.6650 24.3030 23.3680 C.2 5 PRO5 0.2189 67 O 17.6940 23.9690 24.5620 O.2 5 PRO5 -0.2778 68 CB 15.2653 24.8447 22.8277 C.3 5 PRO5 -0.0276 69 CG 14.4431 24.0483 23.8369 C.3 5 PRO5 -0.0379 70 CD 14.6798 22.5812 23.4704 C.3 5 PRO5 0.0071 71 HA 16.7433 23.9936 21.4494 H 5 PRO5 0.0559 72 HB1 14.6693 25.0034 21.9298 H 5 PRO5 0.0285 73 HB2 15.5437 25.8302 23.2057 H 5 PRO5 0.0285 74 HG1 13.3876 24.3210 23.8334 H 5 PRO5 0.0278 75 HG2 14.8305 24.2365 24.8392 H 5 PRO5 0.0278 76 HD1 14.7290 21.9495 24.3567 H 5 PRO5 0.0431 77 HD2 13.9417 22.2043 22.7610 H 5 PRO5 0.0431 78 N 18.6330 24.9920 22.7980 N.am 6 ARG6 -0.2456 79 CA 19.7490 25.5100 23.5310 C.3 6 ARG6 0.0879 80 C 19.3340 26.4480 24.6530 C.2 6 ARG6 0.2187 81 O 19.9350 26.4040 25.7230 O.2 6 ARG6 -0.2778 82 CB 20.8011 26.1231 22.5939 C.3 6 ARG6 -0.0258 83 CG 22.1579 26.3614 23.2874 C.3 6 ARG6 -0.0154 84 CD 22.6974 25.1002 23.9835 C.3 6 ARG6 0.1045 85 NE 24.0908 25.2768 24.3922 N.pl3 6 ARG6 -0.4450 86 CZ 24.7722 24.3369 25.0450 C.cat 6 ARG6 0.5062 87 NH1 24.2156 23.1995 25.3711 N.pl3 6 ARG6 -0.4573 88 NH2 26.0194 24.5501 25.3676 N.pl3 6 ARG6 -0.4573 89 H 18.5850 25.1630 21.7940 H 6 ARG6 0.1312 90 HA 20.1640 24.6242 24.0113 H 6 ARG6 0.0557 91 HB1 20.4264 27.0542 22.1659 H 6 ARG6 0.0286 92 HB2 20.9543 25.4467 21.7519 H 6 ARG6 0.0286 93 HG1 22.0670 27.1669 24.0172 H 6 ARG6 0.0299 94 HG2 22.8783 26.7026 22.5443 H 6 ARG6 0.0299 95 HD1 22.6500 24.2406 23.3092 H 6 ARG6 0.0711 96 HD2 22.1145 24.8806 24.8824 H 6 ARG6 0.0711 97 HE 24.5620 26.1305 24.1808 H 6 ARG6 0.3153 98 HH11 24.7320 22.4989 25.8572 H 6 ARG6 0.3114 99 HH12 23.2624 23.0352 25.1297 H 6 ARG6 0.3114 100 HH21 26.5355 23.8522 25.8585 H 6 ARG6 0.3114 101 HH22 26.4596 25.4102 25.1241 H 6 ARG6 0.3114 102 N 18.3230 27.2470 24.4450 N.am 7 ASN7 -0.2452 103 CA 17.7760 28.1720 25.5070 C.3 7 ASN7 0.0959 104 C 16.2650 28.1050 25.6450 C.2 7 ASN7 0.2218 105 O 15.4750 28.6900 24.9620 O.2 7 ASN7 -0.2776 106 CB 18.1935 29.6101 25.1366 C.3 7 ASN7 0.0446 107 CG 17.8865 30.6381 26.2449 C.2 7 ASN7 0.2000 108 OD1 16.8970 30.5525 26.9587 O.2 7 ASN7 -0.2797 109 ND2 18.7970 31.6165 26.3437 N.am 7 ASN7 -0.2723 110 H 17.8830 27.2470 23.5250 H 7 ASN7 0.1312 111 HA 18.2486 27.9332 26.4597 H 7 ASN7 0.0562 112 HB1 17.7001 29.9364 24.2222 H 7 ASN7 0.0375 113 HB2 19.2650 29.6344 24.9379 H 7 ASN7 0.0375 114 HD21 18.6823 32.3155 27.0491 H 7 ASN7 0.1266 115 HD22 19.5827 31.6639 25.7288 H 7 ASN7 0.1266 116 N 15.7600 27.2320 26.5470 N.am 8 PRO8 -0.2316 117 CA 14.3640 27.0170 26.7480 C.3 8 PRO8 0.0907 118 C 13.5270 28.2710 27.1010 C.2 8 PRO8 0.2189 119 O 12.4160 28.3960 26.5830 O.2 8 PRO8 -0.2778 120 CB 14.2941 25.9830 27.8819 C.3 8 PRO8 -0.0276 121 CG 15.6448 25.2834 27.8550 C.3 8 PRO8 -0.0379 122 CD 16.6063 26.3612 27.3681 C.3 8 PRO8 0.0071 123 HA 13.9858 26.5891 25.8184 H 8 PRO8 0.0559 124 HB1 13.4615 25.2894 27.7630 H 8 PRO8 0.0285 125 HB2 14.1789 26.4717 28.8509 H 8 PRO8 0.0285 126 HG1 15.6203 24.4656 27.1334 H 8 PRO8 0.0278 127 HG2 15.9298 24.8682 28.8217 H 8 PRO8 0.0278 128 HD1 17.0060 26.9629 28.1857 H 8 PRO8 0.0431 129 HD2 17.4102 25.9250 26.7733 H 8 PRO8 0.0431 130 N 14.0710 29.1680 27.8640 N.am 9 ALA9 -0.2459 131 CA 13.3160 30.3990 28.2600 C.3 9 ALA9 0.0850 132 C 12.9470 31.2300 27.0230 C.2 9 ALA9 0.2184 133 O 11.8020 31.7900 26.8820 O.2 9 ALA9 -0.2778 134 CB 14.1792 31.2237 29.2208 C.3 9 ALA9 -0.0411 135 H 15.0250 29.0330 28.1980 H 9 ALA9 0.1312 136 HA 12.3968 30.0744 28.7503 H 9 ALA9 0.0554 137 HB1 13.6551 32.1195 29.5554 H 9 ALA9 0.0249 138 HB2 15.1121 31.5360 28.7498 H 9 ALA9 0.0249 139 HB3 14.4357 30.6406 30.1053 H 9 ALA9 0.0249 140 N 13.9040 31.2100 26.0830 N.am 10 MET10 -0.2456 141 CA 13.7640 31.9710 24.8380 C.3 10 MET10 0.0885 142 C 12.9370 31.2370 23.7800 C.2 10 MET10 0.2187 143 O 12.7650 31.6750 22.6500 O.2 10 MET10 -0.2778 144 CB 15.1712 32.2876 24.3081 C.3 10 MET10 -0.0199 145 CG 15.9190 33.2957 25.1873 C.3 10 MET10 -0.0047 146 SD 15.2055 34.9435 25.0223 S.3 10 MET10 -0.1641 147 CE 14.5813 35.1511 26.6980 C.3 10 MET10 -0.0181 148 H 14.7450 30.6550 26.2380 H 10 MET10 0.1312 149 HA 13.2392 32.9009 25.0661 H 10 MET10 0.0557 150 HB1 15.1181 32.6919 23.2969 H 10 MET10 0.0293 151 HB2 15.7488 31.3657 24.2448 H 10 MET10 0.0293 152 HG1 16.9570 33.3495 24.8644 H 10 MET10 0.0377 153 HG2 15.9426 32.9876 26.2331 H 10 MET10 0.0377 154 HE1 14.0655 36.1064 26.7955 H 10 MET10 0.0340 155 HE2 15.4039 35.1136 27.4123 H 10 MET10 0.0340 156 HE3 13.8927 34.3429 26.9451 H 10 MET10 0.0340 157 N 12.2980 30.1380 24.2150 N.am 11 TYR11 -0.2453 158 CA 11.3030 29.4720 23.4300 C.3 11 TYR11 0.0917 159 C 10.1480 30.4040 23.0090 C.2 11 TYR11 0.2191 160 O 9.5790 30.3130 21.9080 O.2 11 TYR11 -0.2778 161 CB 10.7878 28.2347 24.1837 C.3 11 TYR11 -0.0036 162 CG 9.9093 27.3517 23.3364 C.ar 11 TYR11 -0.0453 163 CD1 10.4645 26.2952 22.6209 C.ar 11 TYR11 -0.0561 164 CD2 8.5349 27.5641 23.2686 C.ar 11 TYR11 -0.0561 165 CE1 9.6658 25.4820 21.8280 C.ar 11 TYR11 -0.0317 166 CE2 7.7338 26.7513 22.4762 C.ar 11 TYR11 -0.0317 167 CZ 8.3012 25.7131 21.7514 C.ar 11 TYR11 0.0726 168 OH 7.5148 24.9048 20.9581 O.3 11 TYR11 -0.3598 169 H 12.5300 29.7660 25.1360 H 11 TYR11 0.1312 170 HA 11.8036 29.1498 22.5192 H 11 TYR11 0.0560 171 HB1 10.2546 28.5260 25.0896 H 11 TYR11 0.0333 172 HB2 11.6389 27.6330 24.5012 H 11 TYR11 0.0333 173 HD1 11.5248 26.0993 22.6837 H 11 TYR11 0.0621 174 HD2 8.0843 28.3720 23.8266 H 11 TYR11 0.0621 175 HE1 10.0988 24.6642 21.2717 H 11 TYR11 0.0643 176 HE2 6.6697 26.9259 22.4219 H 11 TYR11 0.0643 177 HH 6.6009 25.1292 21.0739 H 11 TYR11 0.2173 178 N 9.7650 31.3190 23.9450 N.am 12 SER12 -0.2436 179 CA 8.7720 32.3420 23.7890 C.3 12 SER12 0.1109 180 C 9.2560 33.4460 22.8520 C.2 12 SER12 0.2209 181 O 10.2440 34.0870 23.1760 O.2 12 SER12 -0.2777 182 CB 8.4301 32.9224 25.1671 C.3 12 SER12 0.0681 183 OG 7.4943 33.9866 25.0407 O.3 12 SER12 -0.3930 184 H 10.2330 31.2710 24.8500 H 12 SER12 0.1312 185 HA 7.8872 31.8702 23.3595 H 12 SER12 0.0580 186 HB1 9.3460 33.2747 25.6500 H 12 SER12 0.0577 187 HB2 8.0150 32.1259 25.7943 H 12 SER12 0.0577 188 HG 7.2650 34.3488 25.8945 H 12 SER12 0.2095 189 N 8.5360 33.6810 21.7880 N.am 13 GLU13 -0.2456 190 CA 8.7680 34.8700 20.9430 C.3 13 GLU13 0.0883 191 C 8.7060 36.1590 21.7260 C.2 13 GLU13 0.2187 192 O 9.5360 37.0300 21.5080 O.2 13 GLU13 -0.2778 193 CB 7.5798 34.8732 19.9519 C.3 13 GLU13 -0.0193 194 CG 7.3318 36.1713 19.1545 C.3 13 GLU13 0.0356 195 CD 8.4142 36.4446 18.1141 C.2 13 GLU13 0.1760 196 OE1 8.9517 35.4976 17.5552 O.co2 13 GLU13 -0.6478 197 OE2 8.7068 37.6057 17.8464 O.co2 13 GLU13 -0.6478 198 H 7.7950 33.0270 21.5340 H 13 GLU13 0.1312 199 HA 9.7386 34.8299 20.4684 H 13 GLU13 0.0557 200 HB1 6.6660 34.6787 20.5155 H 13 GLU13 0.0290 201 HB2 7.6701 34.0287 19.2692 H 13 GLU13 0.0290 202 HG1 7.2272 37.0419 19.8016 H 13 GLU13 0.0374 203 HG2 6.3915 36.0865 18.6121 H 13 GLU13 0.0374 204 N 7.7220 36.3330 22.6190 N.am 14 GLU14 -0.2456 205 CA 7.6770 37.5660 23.4260 C.3 14 GLU14 0.0883 206 C 8.9010 37.7370 24.2820 C.2 14 GLU14 0.2187 207 O 9.3650 38.8920 24.4560 O.2 14 GLU14 -0.2778 208 CB 6.3774 37.5013 24.2564 C.3 14 GLU14 -0.0193 209 CG 6.2449 38.4809 25.4388 C.3 14 GLU14 0.0356 210 CD 6.2178 39.9675 25.0557 C.2 14 GLU14 0.1760 211 OE1 6.7408 40.3616 24.0173 O.co2 14 GLU14 -0.6478 212 OE2 5.6777 40.7666 25.8143 O.co2 14 GLU14 -0.6478 213 H 7.0070 35.6160 22.7400 H 14 GLU14 0.1312 214 HA 7.6375 38.4061 22.7362 H 14 GLU14 0.0557 215 HB1 6.2763 36.4946 24.6602 H 14 GLU14 0.0290 216 HB2 5.5270 37.6317 23.5864 H 14 GLU14 0.0290 217 HG1 7.0521 38.3364 26.1553 H 14 GLU14 0.0374 218 HG2 5.3207 38.2654 25.9747 H 14 GLU14 0.0374 219 N 9.4380 36.6580 24.8260 N.am 15 ALA15 -0.2459 220 CA 10.6890 36.7400 25.6180 C.3 15 ALA15 0.0850 221 C 11.8310 37.1520 24.7270 C.2 15 ALA15 0.2184 222 O 12.7320 37.9080 25.1630 O.2 15 ALA15 -0.2778 223 CB 10.9667 35.3919 26.2899 C.3 15 ALA15 -0.0411 224 H 8.9840 35.7540 24.6990 H 15 ALA15 0.1312 225 HA 10.5411 37.5150 26.3720 H 15 ALA15 0.0554 226 HB1 11.8134 35.4608 26.9710 H 15 ALA15 0.0249 227 HB2 11.1865 34.6129 25.5592 H 15 ALA15 0.0249 228 HB3 10.1064 35.0722 26.8773 H 15 ALA15 0.0249 229 N 11.8250 36.6260 23.4950 N.am 16 ARG16 -0.2457 230 CA 12.8980 37.0240 22.5690 C.3 16 ARG16 0.0879 231 C 12.7610 38.4940 22.2290 C.2 16 ARG16 0.2187 232 O 13.8000 39.2180 22.1490 O.2 16 ARG16 -0.2778 233 CB 12.8510 36.1897 21.2847 C.3 16 ARG16 -0.0258 234 CG 13.1277 34.7044 21.5372 C.3 16 ARG16 -0.0154 235 CD 13.3512 33.9380 20.2355 C.3 16 ARG16 0.1045 236 NE 12.1622 33.9908 19.3868 N.pl3 16 ARG16 -0.4450 237 CZ 11.1700 33.1111 19.3799 C.cat 16 ARG16 0.5062 238 NH1 11.1381 32.1187 20.2299 N.pl3 16 ARG16 -0.4573 239 NH2 10.2043 33.2578 18.5155 N.pl3 16 ARG16 -0.4573 240 H 11.0990 35.9700 23.2070 H 16 ARG16 0.1312 241 HA 13.8526 36.8803 23.0790 H 16 ARG16 0.0557 242 HB1 13.5986 36.5732 20.5880 H 16 ARG16 0.0286 243 HB2 11.8850 36.3095 20.7924 H 16 ARG16 0.0286 244 HG1 12.3093 34.2552 22.0920 H 16 ARG16 0.0299 245 HG2 14.0094 34.5947 22.1674 H 16 ARG16 0.0299 246 HD1 13.6261 32.9022 20.4302 H 16 ARG16 0.0711 247 HD2 14.1647 34.3937 19.6687 H 16 ARG16 0.0711 248 HE 12.0172 34.7448 18.7410 H 16 ARG16 0.3153 249 HH11 10.3954 31.4530 20.2151 H 16 ARG16 0.3114 250 HH12 11.8569 32.0395 20.9185 H 16 ARG16 0.3114 251 HH21 9.4858 32.5815 18.4057 H 16 ARG16 0.3114 252 HH22 10.1566 34.0950 17.9480 H 16 ARG16 0.3114 253 N 11.5660 38.9530 21.9750 N.am 17 LEU17 -0.2456 254 CA 11.3470 40.3490 21.6610 C.3 17 LEU17 0.0880 255 C 11.8440 41.2630 22.7590 C.2 17 LEU17 0.2187 256 O 12.5270 42.2920 22.4900 O.2 17 LEU17 -0.2778 257 CB 9.8388 40.5955 21.4396 C.3 17 LEU17 -0.0266 258 CG 9.3038 40.0599 20.1016 C.3 17 LEU17 -0.0449 259 CD1 7.7700 40.0282 20.0842 C.3 17 LEU17 -0.0626 260 CD2 9.8051 40.8967 18.9203 C.3 17 LEU17 -0.0626 261 H 10.7700 38.3150 21.9980 H 17 LEU17 0.1312 262 HA 11.9130 40.5681 20.7569 H 17 LEU17 0.0557 263 HB1 9.6141 41.6621 21.4878 H 17 LEU17 0.0287 264 HB2 9.2820 40.1399 22.2591 H 17 LEU17 0.0287 265 HG 9.6503 39.0351 19.9722 H 17 LEU17 0.0296 266 HD11 7.3977 39.6476 19.1329 H 17 LEU17 0.0232 267 HD12 7.3516 41.0233 20.2352 H 17 LEU17 0.0232 268 HD13 7.3760 39.3810 20.8643 H 17 LEU17 0.0232 269 HD21 9.4287 40.4694 17.9944 H 17 LEU17 0.0232 270 HD22 10.8918 40.9175 18.8562 H 17 LEU17 0.0232 271 HD23 9.4548 41.9268 18.9831 H 17 LEU17 0.0232 272 N 11.5160 40.9500 24.0100 N.am 18 LYS18 -0.2457 273 CA 11.9540 41.7820 25.1190 C.3 18 LYS18 0.0878 274 C 13.4730 41.9410 25.2020 C.2 18 LYS18 0.2187 275 O 13.9670 42.9680 25.7280 O.2 18 LYS18 -0.2778 276 CB 11.3522 41.2632 26.4340 C.3 18 LYS18 -0.0289 277 CG 9.8193 41.3870 26.4768 C.3 18 LYS18 -0.0496 278 CD 9.3111 42.8344 26.5841 C.3 18 LYS18 -0.0278 279 CE 7.7856 42.9100 26.4643 C.3 18 LYS18 0.1103 280 NZ 7.3155 42.5260 25.1376 N.4 18 LYS18 -0.0749 281 H 10.9530 40.1200 24.1930 H 18 LYS18 0.1312 282 HA 11.5726 42.7809 24.9114 H 18 LYS18 0.0557 283 HB1 11.7749 41.8003 27.2844 H 18 LYS18 0.0285 284 HB2 11.6333 40.2165 26.5618 H 18 LYS18 0.0285 285 HG1 9.4392 40.8138 27.3234 H 18 LYS18 0.0266 286 HG2 9.3886 40.9255 25.5919 H 18 LYS18 0.0266 287 HD1 9.7552 43.4631 25.8137 H 18 LYS18 0.0282 288 HD2 9.6253 43.2541 27.5404 H 18 LYS18 0.0282 289 HE1 7.4212 43.9164 26.6744 H 18 LYS18 0.0559 290 HE2 7.3197 42.2394 27.1898 H 18 LYS18 0.0559 291 HZ1 6.2922 42.3120 25.1604 H 18 LYS18 0.2742 292 HZ2 7.6897 41.5861 24.8777 H 18 LYS18 0.2742 293 HZ3 7.5436 43.2143 24.4028 H 18 LYS18 0.2742 294 N 14.2430 40.9230 24.7310 N.am 19 SER19 -0.2436 295 CA 15.6860 40.9020 24.8210 C.3 19 SER19 0.1109 296 C 16.3070 42.0610 24.0600 C.2 19 SER19 0.2209 297 O 17.4830 42.3510 24.2630 O.2 19 SER19 -0.2777 298 CB 16.2377 39.5539 24.3392 C.3 19 SER19 0.0681 299 OG 16.2480 39.4227 22.9355 O.3 19 SER19 -0.3930 300 H 13.7760 40.1300 24.2900 H 19 SER19 0.1312 301 HA 15.9233 41.0311 25.8774 H 19 SER19 0.0580 302 HB1 15.6723 38.7236 24.7716 H 19 SER19 0.0577 303 HB2 17.2699 39.4365 24.6757 H 19 SER19 0.0577 304 HG 15.4827 39.8505 22.5657 H 19 SER19 0.2095 305 N 15.5400 42.6950 23.1620 N.am 20 PHE20 -0.2453 306 CA 16.0470 43.7740 22.3200 C.3 20 PHE20 0.0917 307 C 15.9100 45.1820 22.9360 C.2 20 PHE20 0.2190 308 O 16.1390 46.1640 22.2800 O.2 20 PHE20 -0.2778 309 CB 15.3417 43.7077 20.9572 C.3 20 PHE20 -0.0036 310 CG 15.7214 42.4735 20.1756 C.ar 20 PHE20 -0.0454 311 CD1 16.8665 42.4660 19.3891 C.ar 20 PHE20 -0.0585 312 CD2 14.9226 41.3358 20.1969 C.ar 20 PHE20 -0.0585 313 CE1 17.2282 41.3355 18.6690 C.ar 20 PHE20 -0.0615 314 CE2 15.2733 40.2037 19.4727 C.ar 20 PHE20 -0.0615 315 CZ 16.4354 40.1983 18.7161 C.ar 20 PHE20 -0.0617 316 H 14.5650 42.4130 23.0630 H 20 PHE20 0.1312 317 HA 17.1146 43.6043 22.1662 H 20 PHE20 0.0560 318 HB1 15.5996 44.5774 20.3526 H 20 PHE20 0.0333 319 HB2 14.2612 43.7399 21.0993 H 20 PHE20 0.0333 320 HD1 17.4911 43.3427 19.3499 H 20 PHE20 0.0620 321 HD2 14.0183 41.3317 20.7814 H 20 PHE20 0.0620 322 HE1 18.1332 41.3439 18.0806 H 20 PHE20 0.0618 323 HE2 14.6461 39.3242 19.5061 H 20 PHE20 0.0618 324 HZ 16.7160 39.3140 18.1629 H 20 PHE20 0.0618 325 N 15.6520 45.2520 24.2340 N.am 21 GLN21 -0.2456 326 CA 15.5160 46.5560 24.9220 C.3 21 GLN21 0.0882 327 C 16.6350 47.5280 24.5800 C.2 21 GLN21 0.2187 328 O 16.3970 48.7240 24.3740 O.2 21 GLN21 -0.2778 329 CB 15.4296 46.3064 26.4381 C.3 21 GLN21 -0.0210 330 CG 15.1369 47.5670 27.2710 C.3 21 GLN21 0.0225 331 CD 13.7775 48.1748 26.8987 C.2 21 GLN21 0.1981 332 OE1 12.7270 47.6745 27.2752 O.2 21 GLN21 -0.2798 333 NE2 13.8626 49.2777 26.1401 N.am 21 GLN21 -0.2724 334 H 15.5450 44.3910 24.7700 H 21 GLN21 0.1312 335 HA 14.5825 46.9829 24.5531 H 21 GLN21 0.0557 336 HB1 16.3598 45.8554 26.7861 H 21 GLN21 0.0289 337 HB2 14.6536 45.5636 26.6304 H 21 GLN21 0.0289 338 HG1 15.9199 48.3153 27.1438 H 21 GLN21 0.0356 339 HG2 15.1107 47.3160 28.3310 H 21 GLN21 0.0356 340 HE21 13.0282 49.7574 25.8721 H 21 GLN21 0.1266 341 HE22 14.7468 49.6311 25.8331 H 21 GLN21 0.1266 342 N 17.8390 46.9990 24.5870 N.am 22 ASN22 -0.2452 343 CA 19.0640 47.8040 24.4070 C.3 22 ASN22 0.0957 344 C 19.7890 47.4330 23.1090 C.2 22 ASN22 0.2191 345 O 20.9880 47.7010 22.9510 O.2 22 ASN22 -0.2778 346 CB 19.9678 47.5883 25.6386 C.3 22 ASN22 0.0446 347 CG 20.7051 48.8670 26.0624 C.2 22 ASN22 0.2000 348 OD1 20.3582 49.4959 27.0518 O.2 22 ASN22 -0.2797 349 ND2 21.7323 49.2151 25.2749 N.am 22 ASN22 -0.2723 350 H 17.9300 45.9920 24.7220 H 22 ASN22 0.1312 351 HA 18.7748 48.8543 24.3217 H 22 ASN22 0.0562 352 HB1 20.6879 46.7828 25.4902 H 22 ASN22 0.0375 353 HB2 19.3568 47.2962 26.4926 H 22 ASN22 0.0375 354 HD21 22.2598 50.0354 25.4928 H 22 ASN22 0.1266 355 HD22 21.9839 48.6818 24.4674 H 22 ASN22 0.1266 356 N 19.0510 46.9310 22.1060 N.am 23 TRP23 -0.2453 357 CA 19.5500 46.7230 20.7620 C.3 23 TRP23 0.0920 358 C 20.1370 48.0500 20.2220 C.2 23 TRP23 0.2217 359 O 19.5150 49.0970 20.4190 O.2 23 TRP23 -0.2776 360 CB 18.3268 46.2680 19.9441 C.3 23 TRP23 -0.0021 361 CG 18.6258 45.9231 18.4973 C.ar 23 TRP23 -0.0260 362 CD1 18.0669 46.5597 17.3852 C.ar 23 TRP23 -0.0136 363 CD2 19.4114 44.8257 17.9819 C.ar 23 TRP23 -0.0028 364 NE1 18.4284 45.8990 16.2592 N.ar 23 TRP23 -0.2641 365 CE2 19.2531 44.8298 16.5766 C.ar 23 TRP23 0.0269 366 CE3 20.1927 43.8708 18.5741 C.ar 23 TRP23 -0.0528 367 CZ2 19.8808 43.8848 15.8116 C.ar 23 TRP23 -0.0430 368 CZ3 20.8511 42.9178 17.7953 C.ar 23 TRP23 -0.0611 369 CH2 20.6941 42.9239 16.4102 C.ar 23 TRP23 -0.0602 370 H 18.0820 46.6810 22.3020 H 23 TRP23 0.1312 371 HA 20.2780 45.9242 20.8367 H 23 TRP23 0.0561 372 HB1 17.5557 47.0395 19.9680 H 23 TRP23 0.0334 373 HB2 17.8889 45.3889 20.4153 H 23 TRP23 0.0334 374 HD1 17.4226 47.4264 17.4201 H 23 TRP23 0.0748 375 HE1 18.1606 46.1502 15.3483 H 23 TRP23 0.1331 376 HE3 20.3094 43.8754 19.6456 H 23 TRP23 0.0624 377 HZ2 19.7579 43.9012 14.7386 H 23 TRP23 0.0633 378 HZ3 21.4861 42.1768 18.2575 H 23 TRP23 0.0618 379 HH2 21.2030 42.1900 15.8012 H 23 TRP23 0.0618 380 N 21.3430 48.0290 19.6350 N.am 24 PRO24 -0.2316 381 CA 22.0280 49.2510 19.2280 C.3 24 PRO24 0.0907 382 C 21.2550 50.1000 18.2610 C.2 24 PRO24 0.2189 383 O 20.5710 49.5850 17.4010 O.2 24 PRO24 -0.2778 384 CB 23.3273 48.7672 18.5767 C.3 24 PRO24 -0.0276 385 CG 23.5262 47.3386 19.0585 C.3 24 PRO24 -0.0379 386 CD 22.1223 46.8196 19.3547 C.3 24 PRO24 0.0071 387 HA 22.2292 49.8157 20.1399 H 24 PRO24 0.0559 388 HB1 24.1583 49.4106 18.8548 H 24 PRO24 0.0285 389 HB2 23.2573 48.7618 17.4867 H 24 PRO24 0.0285 390 HG1 24.1125 47.3437 19.9780 H 24 PRO24 0.0278 391 HG2 24.0566 46.7242 18.3304 H 24 PRO24 0.0278 392 HD1 21.6792 46.3391 18.4836 H 24 PRO24 0.0431 393 HD2 22.1544 46.1488 20.2098 H 24 PRO24 0.0431 394 N 21.4760 51.4030 18.3230 N.am 25 ASP25 -0.2451 395 CA 20.7560 52.2550 17.3640 C.3 25 ASP25 0.0974 396 C 21.2790 52.1230 15.9060 C.2 25 ASP25 0.2192 397 O 20.5940 52.5180 14.9620 O.2 25 ASP25 -0.2778 398 CB 20.9476 53.7122 17.8270 C.3 25 ASP25 0.0576 399 CG 22.4381 54.0561 18.0280 C.2 25 ASP25 0.1780 400 OD1 22.9601 53.8089 19.1143 O.co2 25 ASP25 -0.6478 401 OD2 23.0599 54.5626 17.0981 O.co2 25 ASP25 -0.6478 402 H 22.1190 51.8000 19.0080 H 25 ASP25 0.1312 403 HA 19.6986 51.9892 17.3849 H 25 ASP25 0.0563 404 HB1 20.4399 53.8688 18.7776 H 25 ASP25 0.0394 405 HB2 20.5131 54.4162 17.1177 H 25 ASP25 0.0394 406 N 22.4500 51.5670 15.7200 N.am 26 TYR26 -0.2453 407 CA 22.9760 51.3420 14.3920 C.3 26 TYR26 0.0917 408 C 22.5260 50.0490 13.7510 C.2 26 TYR26 0.2190 409 O 22.7620 49.7970 12.5500 O.2 26 TYR26 -0.2778 410 CB 24.5122 51.4441 14.4210 C.3 26 TYR26 -0.0036 411 CG 25.1812 50.5346 15.4234 C.ar 26 TYR26 -0.0453 412 CD1 25.4029 49.1882 15.1409 C.ar 26 TYR26 -0.0561 413 CD2 25.6329 51.0500 16.6350 C.ar 26 TYR26 -0.0561 414 CE1 26.0552 48.3705 16.0572 C.ar 26 TYR26 -0.0317 415 CE2 26.3086 50.2417 17.5391 C.ar 26 TYR26 -0.0317 416 CZ 26.5133 48.8983 17.2559 C.ar 26 TYR26 0.0726 417 OH 27.1459 48.0890 18.1795 O.3 26 TYR26 -0.3598 418 H 23.0030 51.2860 16.5300 H 26 TYR26 0.1312 419 HA 22.6155 52.1475 13.7496 H 26 TYR26 0.0560 420 HB1 24.7845 52.4740 14.6569 H 26 TYR26 0.0333 421 HB2 24.9269 51.2487 13.4315 H 26 TYR26 0.0333 422 HD1 25.0617 48.7687 14.2056 H 26 TYR26 0.0621 423 HD2 25.4550 52.0893 16.8794 H 26 TYR26 0.0621 424 HE1 26.2060 47.3236 15.8398 H 26 TYR26 0.0643 425 HE2 26.6441 50.6563 18.4775 H 26 TYR26 0.0643 426 HH 27.2326 48.5704 18.9912 H 26 TYR26 0.2173 427 N 21.8650 49.2070 14.5560 N.am 27 ALA27 -0.2459 428 CA 21.5330 47.9290 14.0420 C.3 27 ALA27 0.0850 429 C 20.2010 47.9740 13.3040 C.2 27 ALA27 0.2184 430 O 19.1450 48.2140 13.8850 O.2 27 ALA27 -0.2778 431 CB 21.4950 46.9625 15.2256 C.3 27 ALA27 -0.0411 432 H 21.6090 49.4760 15.5060 H 27 ALA27 0.1312 433 HA 22.3188 47.5929 13.3604 H 27 ALA27 0.0554 434 HB1 21.3109 45.9473 14.8823 H 27 ALA27 0.0249 435 HB2 20.7251 47.2422 15.9449 H 27 ALA27 0.0249 436 HB3 22.4482 46.9607 15.7552 H 27 ALA27 0.0249 437 N 20.2610 47.7400 12.0180 N.am 28 HIS28 -0.2453 438 CA 19.1570 48.0340 11.1850 C.3 28 HIS28 0.0932 439 C 18.0160 47.0460 11.2100 C.2 28 HIS28 0.2190 440 O 16.8800 47.4600 10.9910 O.2 28 HIS28 -0.2778 441 CB 19.6386 48.3073 9.7491 C.3 28 HIS28 0.0146 442 CG 20.3336 47.1114 9.1347 C.ar 28 HIS28 0.0551 443 ND1 21.6368 46.8241 9.3306 N.ar 28 HIS28 -0.2469 444 CD2 19.8148 46.1890 8.2097 C.ar 28 HIS28 0.0047 445 CE1 21.9020 45.7532 8.5644 C.ar 28 HIS28 0.0737 446 NE2 20.8216 45.3490 7.8722 N.ar 28 HIS28 -0.2539 447 H 21.1090 47.3430 11.6140 H 28 HIS28 0.1312 448 HA 18.7361 48.9760 11.5467 H 28 HIS28 0.0561 449 HB1 20.3400 49.1422 9.7557 H 28 HIS28 0.0348 450 HB2 18.8061 48.6061 9.1116 H 28 HIS28 0.0348 451 HD2 18.8017 46.1639 7.8384 H 28 HIS28 0.0764 452 HE1 22.8710 45.2784 8.5070 H 28 HIS28 0.0963 453 HE2 20.7922 44.5864 7.2549 H 28 HIS28 0.1339 454 N 18.2700 45.7560 11.4750 N.am 29 LEU29 -0.2456 455 CA 17.1980 44.8030 11.5070 C.3 29 LEU29 0.0880 456 C 16.2840 45.0840 12.6930 C.2 29 LEU29 0.2187 457 O 16.7210 45.5240 13.7630 O.2 29 LEU29 -0.2778 458 CB 17.6887 43.3425 11.5262 C.3 29 LEU29 -0.0266 459 CG 18.2756 42.8734 10.1795 C.3 29 LEU29 -0.0449 460 CD1 19.7770 43.1572 10.1047 C.3 29 LEU29 -0.0626 461 CD2 18.0044 41.3810 9.9326 C.3 29 LEU29 -0.0626 462 H 19.2270 45.4520 11.6540 H 29 LEU29 0.1312 463 HA 16.6094 44.9591 10.6007 H 29 LEU29 0.0557 464 HB1 16.8383 42.7001 11.7634 H 29 LEU29 0.0287 465 HB2 18.4058 43.1876 12.3331 H 29 LEU29 0.0287 466 HG 17.7847 43.4174 9.3720 H 29 LEU29 0.0296 467 HD11 20.1905 42.8379 9.1474 H 29 LEU29 0.0232 468 HD12 20.3019 42.6265 10.8965 H 29 LEU29 0.0232 469 HD13 19.9974 44.2147 10.2284 H 29 LEU29 0.0232 470 HD21 18.3996 41.0623 8.9671 H 29 LEU29 0.0232 471 HD22 16.9351 41.1670 9.9345 H 29 LEU29 0.0232 472 HD23 18.4671 40.7628 10.7003 H 29 LEU29 0.0232 473 N 15.0080 44.8200 12.5090 N.am 30 THR30 -0.2434 474 CA 14.0500 45.0760 13.6120 C.3 30 THR30 0.1137 475 C 14.0150 43.9210 14.6030 C.2 30 THR30 0.2239 476 O 14.1190 42.7360 14.2090 O.2 30 THR30 -0.2775 477 CB 12.6449 45.3307 13.0290 C.3 30 THR30 0.0763 478 OG1 12.1556 44.1523 12.4082 O.3 30 THR30 -0.3900 479 CG2 12.6623 46.5144 12.0438 C.3 30 THR30 -0.0370 480 H 14.6820 44.4440 11.6190 H 30 THR30 0.1313 481 HA 14.3779 45.9985 14.0858 H 30 THR30 0.0583 482 HB 11.9830 45.5835 13.8640 H 30 THR30 0.0611 483 HG1 11.3463 44.3264 11.9387 H 30 THR30 0.2098 484 HG21 11.6564 46.8096 11.7443 H 30 THR30 0.0255 485 HG22 13.2202 46.2723 11.1388 H 30 THR30 0.0255 486 HG23 13.1314 47.3886 12.4959 H 30 THR30 0.0255 487 N 13.8270 44.2310 15.8830 N.am 31 PRO31 -0.2315 488 CA 13.5960 43.1900 16.8620 C.3 31 PRO31 0.0907 489 C 12.4140 42.2600 16.4440 C.2 31 PRO31 0.2189 490 O 12.4920 41.0300 16.5880 O.2 31 PRO31 -0.2778 491 CB 13.2097 43.9867 18.1151 C.3 31 PRO31 -0.0276 492 CG 13.9126 45.3274 17.9503 C.3 31 PRO31 -0.0379 493 CD 13.8739 45.5812 16.4452 C.3 31 PRO31 0.0071 494 HA 14.5214 42.6245 16.9845 H 31 PRO31 0.0559 495 HB1 13.4607 43.4699 19.0354 H 31 PRO31 0.0285 496 HB2 12.1351 44.1736 18.1461 H 31 PRO31 0.0285 497 HG1 14.9510 45.2361 18.2707 H 31 PRO31 0.0278 498 HG2 13.4513 46.1273 18.5295 H 31 PRO31 0.0278 499 HD1 12.9756 46.1113 16.1266 H 31 PRO31 0.0431 500 HD2 14.7781 46.0970 16.1164 H 31 PRO31 0.0431 501 N 11.3730 42.8420 15.8480 N.am 32 ARG32 -0.2456 502 CA 10.2870 41.9810 15.3220 C.3 32 ARG32 0.0879 503 C 10.7400 40.9330 14.3470 C.2 32 ARG32 0.2187 504 O 10.3790 39.7690 14.5120 O.2 32 ARG32 -0.2778 505 CB 9.0537 42.7502 14.8485 C.3 32 ARG32 -0.0258 506 CG 7.8382 41.8260 14.6015 C.3 32 ARG32 -0.0154 507 CD 7.2974 41.0819 15.8541 C.3 32 ARG32 0.1045 508 NE 7.6773 39.6639 15.9579 N.pl3 32 ARG32 -0.4450 509 CZ 7.3465 38.7017 15.1019 C.cat 32 ARG32 0.5062 510 NH1 6.7099 38.9505 13.9917 N.pl3 32 ARG32 -0.4573 511 NH2 7.6581 37.4698 15.3611 N.pl3 32 ARG32 -0.4573 512 H 11.3250 43.8570 15.7560 H 32 ARG32 0.1312 513 HA 9.9732 41.4162 16.1960 H 32 ARG32 0.0557 514 HB1 9.2946 43.3006 13.9380 H 32 ARG32 0.0286 515 HB2 8.7901 43.4991 15.5958 H 32 ARG32 0.0286 516 HG1 8.0696 41.1283 13.7982 H 32 ARG32 0.0299 517 HG2 7.0346 42.4516 14.2121 H 32 ARG32 0.0299 518 HD1 6.2054 41.1070 15.8755 H 32 ARG32 0.0711 519 HD2 7.6286 41.5656 16.7757 H 32 ARG32 0.0711 520 HE 8.2170 39.2722 16.7180 H 32 ARG32 0.3153 521 HH11 6.5089 38.1960 13.3724 H 32 ARG32 0.3114 522 HH12 6.4445 39.8837 13.7797 H 32 ARG32 0.3114 523 HH21 7.4688 36.7300 14.7234 H 32 ARG32 0.3114 524 HH22 8.1199 37.2546 16.2320 H 32 ARG32 0.3114 525 N 11.4820 41.3240 13.3480 N.am 33 GLU33 -0.2456 526 CA 12.0050 40.3480 12.3740 C.3 33 GLU33 0.0883 527 C 12.8920 39.3130 13.0310 C.2 33 GLU33 0.2187 528 O 12.7800 38.1030 12.8060 O.2 33 GLU33 -0.2778 529 CB 12.7144 41.0339 11.1938 C.3 33 GLU33 -0.0193 530 CG 12.9727 40.0323 10.0513 C.3 33 GLU33 0.0356 531 CD 13.6167 40.6710 8.8150 C.2 33 GLU33 0.1760 532 OE1 13.0024 41.4985 8.1572 O.co2 33 GLU33 -0.6478 533 OE2 14.7448 40.3436 8.4813 O.co2 33 GLU33 -0.6478 534 H 11.7030 42.3140 13.2390 H 33 GLU33 0.1312 535 HA 11.1309 39.8204 11.9889 H 33 GLU33 0.0557 536 HB1 13.6478 41.4956 11.5208 H 33 GLU33 0.0290 537 HB2 12.0867 41.8436 10.8211 H 33 GLU33 0.0290 538 HG1 12.0376 39.5733 9.7333 H 33 GLU33 0.0374 539 HG2 13.6177 39.2252 10.3937 H 33 GLU33 0.0374 540 N 13.8370 39.7710 13.8350 N.am 34 LEU34 -0.2456 541 CA 14.7990 38.8710 14.4520 C.3 34 LEU34 0.0880 542 C 14.1230 37.8450 15.4070 C.2 34 LEU34 0.2187 543 O 14.3750 36.6460 15.3270 O.2 34 LEU34 -0.2778 544 CB 15.8292 39.7222 15.2120 C.3 34 LEU34 -0.0266 545 CG 16.6819 40.6196 14.2933 C.3 34 LEU34 -0.0449 546 CD1 17.3243 41.7615 15.0865 C.3 34 LEU34 -0.0626 547 CD2 17.7589 39.8119 13.5550 C.3 34 LEU34 -0.0626 548 H 13.8920 40.7720 14.0260 H 34 LEU34 0.1312 549 HA 15.2819 38.3128 13.6492 H 34 LEU34 0.0557 550 HB1 16.4901 39.0844 15.8003 H 34 LEU34 0.0287 551 HB2 15.2928 40.3465 15.9287 H 34 LEU34 0.0287 552 HG 16.0378 41.0851 13.5467 H 34 LEU34 0.0296 553 HD11 17.8389 42.4512 14.4196 H 34 LEU34 0.0232 554 HD12 18.0532 41.3818 15.8009 H 34 LEU34 0.0232 555 HD13 16.5778 42.3370 15.6345 H 34 LEU34 0.0232 556 HD21 18.3806 40.4632 12.9410 H 34 LEU34 0.0232 557 HD22 17.3199 39.0617 12.8987 H 34 LEU34 0.0232 558 HD23 18.4169 39.2985 14.2565 H 34 LEU34 0.0232 559 N 13.2240 38.3110 16.2530 N.am 35 ALA35 -0.2459 560 CA 12.5480 37.4530 17.2030 C.3 35 ALA35 0.0850 561 C 11.7200 36.3620 16.4750 C.2 35 ALA35 0.2185 562 O 11.6620 35.1980 16.9010 O.2 35 ALA35 -0.2778 563 CB 11.6783 38.3035 18.1229 C.3 35 ALA35 -0.0411 564 H 12.9990 39.3060 16.2370 H 35 ALA35 0.1312 565 HA 13.3085 36.9484 17.7896 H 35 ALA35 0.0554 566 HB1 11.1594 37.6881 18.8584 H 35 ALA35 0.0249 567 HB2 10.9358 38.8493 17.5432 H 35 ALA35 0.0249 568 HB3 12.2820 39.0303 18.6658 H 35 ALA35 0.0249 569 N 11.1010 36.7680 15.3870 N.am 36 SER36 -0.2436 570 CA 10.2550 35.8840 14.5810 C.3 36 SER36 0.1109 571 C 11.0780 34.7370 14.0000 C.2 36 SER36 0.2209 572 O 10.5650 33.6090 13.8580 O.2 36 SER36 -0.2777 573 CB 9.6821 36.6787 13.3893 C.3 36 SER36 0.0681 574 OG 8.4259 36.1727 12.9585 O.3 36 SER36 -0.3930 575 H 11.2150 37.7380 15.0930 H 36 SER36 0.1312 576 HA 9.4724 35.4849 15.2213 H 36 SER36 0.0580 577 HB1 10.3831 36.7477 12.5482 H 36 SER36 0.0577 578 HB2 9.5281 37.7146 13.6784 H 36 SER36 0.0577 579 HG 8.5388 35.2701 12.6654 H 36 SER36 0.2095 580 N 12.3560 35.0270 13.6700 N.am 37 ALA37 -0.2459 581 CA 13.2890 34.0350 13.1550 C.3 37 ALA37 0.0850 582 C 13.9830 33.1970 14.2550 C.2 37 ALA37 0.2182 583 O 14.8930 32.4480 13.9520 O.2 37 ALA37 -0.2778 584 CB 14.3511 34.7833 12.3366 C.3 37 ALA37 -0.0411 585 H 12.6820 35.9860 13.7870 H 37 ALA37 0.1312 586 HA 12.7312 33.3568 12.5146 H 37 ALA37 0.0554 587 HB1 15.0245 34.0972 11.8223 H 37 ALA37 0.0249 588 HB2 14.9523 35.4359 12.9711 H 37 ALA37 0.0249 589 HB3 13.8848 35.4147 11.5810 H 37 ALA37 0.0249 590 N 13.4960 33.2460 15.4850 N.am 38 GLY38 -0.2485 591 CA 13.9970 32.4620 16.6020 C.3 38 GLY38 0.0765 592 C 15.1680 33.0780 17.3850 C.2 38 GLY38 0.2155 593 O 15.8030 32.4390 18.2290 O.2 38 GLY38 -0.2781 594 H 12.7150 33.8780 15.6610 H 38 GLY38 0.1309 595 HA1 14.2718 31.4728 16.2377 H 38 GLY38 0.0521 596 HA2 13.1534 32.3417 17.2801 H 38 GLY38 0.0521 597 N 15.5080 34.3100 17.0420 N.am 39 LEU39 -0.2459 598 CA 16.6880 34.9760 17.5440 C.3 39 LEU39 0.0880 599 C 16.4120 35.9470 18.6630 C.2 39 LEU39 0.2187 600 O 15.4080 36.7040 18.6680 O.2 39 LEU39 -0.2778 601 CB 17.3350 35.7472 16.3699 C.3 39 LEU39 -0.0266 602 CG 17.5379 34.9255 15.0775 C.3 39 LEU39 -0.0449 603 CD1 17.9712 35.8291 13.9144 C.3 39 LEU39 -0.0626 604 CD2 18.5403 33.7824 15.2819 C.3 39 LEU39 -0.0626 605 H 14.9070 34.8150 16.3910 H 39 LEU39 0.1312 606 HA 17.3812 34.2161 17.8875 H 39 LEU39 0.0557 607 HB1 18.2954 36.1542 16.6855 H 39 LEU39 0.0287 608 HB2 16.7183 36.6139 16.1287 H 39 LEU39 0.0287 609 HG 16.5834 34.4937 14.7771 H 39 LEU39 0.0296 610 HD11 18.0328 35.2704 12.9799 H 39 LEU39 0.0232 611 HD12 18.9470 36.2763 14.0955 H 39 LEU39 0.0232 612 HD13 17.2584 36.6409 13.7637 H 39 LEU39 0.0232 613 HD21 18.7080 33.2401 14.3512 H 39 LEU39 0.0232 614 HD22 18.1749 33.0720 16.0207 H 39 LEU39 0.0232 615 HD23 19.5029 34.1630 15.6262 H 39 LEU39 0.0232 616 N 17.3230 35.9500 19.6210 N.am 40 TYR40 -0.2453 617 CA 17.2710 36.9300 20.7170 C.3 40 TYR40 0.0917 618 C 18.6240 37.6120 20.8790 C.2 40 TYR40 0.2190 619 O 19.6310 37.1130 20.4250 O.2 40 TYR40 -0.2778 620 CB 16.8218 36.2410 22.0167 C.3 40 TYR40 -0.0036 621 CG 17.7829 35.1808 22.4894 C.ar 40 TYR40 -0.0453 622 CD1 17.6756 33.8712 22.0325 C.ar 40 TYR40 -0.0561 623 CD2 18.7914 35.4999 23.3950 C.ar 40 TYR40 -0.0561 624 CE1 18.5757 32.9044 22.4582 C.ar 40 TYR40 -0.0317 625 CE2 19.6832 34.5292 23.8312 C.ar 40 TYR40 -0.0317 626 CZ 19.5738 33.2290 23.3610 C.ar 40 TYR40 0.0726 627 OH 20.4494 32.2538 23.7901 O.3 40 TYR40 -0.3598 628 H 18.0750 35.2610 19.6000 H 40 TYR40 0.1312 629 HA 16.5545 37.7144 20.4662 H 40 TYR40 0.0560 630 HB1 15.8431 35.7914 21.8626 H 40 TYR40 0.0333 631 HB2 16.6882 36.9758 22.8106 H 40 TYR40 0.0333 632 HD1 16.9005 33.6087 21.3278 H 40 TYR40 0.0621 633 HD2 18.8869 36.5132 23.7600 H 40 TYR40 0.0621 634 HE1 18.5089 31.8960 22.0918 H 40 TYR40 0.0643 635 HE2 20.4585 34.7892 24.5358 H 40 TYR40 0.0643 636 HH 21.0393 32.6324 24.4300 H 40 TYR40 0.2173 637 N 18.6370 38.7570 21.5570 N.am 41 TYR41 -0.2453 638 CA 19.8370 39.5640 21.6600 C.3 41 TYR41 0.0917 639 C 20.7100 39.1140 22.7980 C.2 41 TYR41 0.2191 640 O 20.2020 38.9310 23.9240 O.2 41 TYR41 -0.2778 641 CB 19.4011 41.0297 21.8435 C.3 41 TYR41 -0.0036 642 CG 20.5230 42.0413 21.9173 C.ar 41 TYR41 -0.0453 643 CD1 21.6676 41.9208 21.1327 C.ar 41 TYR41 -0.0561 644 CD2 20.4030 43.1537 22.7469 C.ar 41 TYR41 -0.0561 645 CE1 22.6933 42.8520 21.2204 C.ar 41 TYR41 -0.0317 646 CE2 21.4140 44.1031 22.8157 C.ar 41 TYR41 -0.0317 647 CZ 22.5669 43.9443 22.0637 C.ar 41 TYR41 0.0726 648 OH 23.5856 44.8677 22.1569 O.3 41 TYR41 -0.3598 649 H 17.7830 39.0740 22.0150 H 41 TYR41 0.1312 650 HA 20.3801 39.4546 20.7208 H 41 TYR41 0.0560 651 HB1 18.7974 41.0988 22.7456 H 41 TYR41 0.0333 652 HB2 18.7496 41.3174 21.0229 H 41 TYR41 0.0333 653 HD1 21.7717 41.1027 20.4401 H 41 TYR41 0.0621 654 HD2 19.5165 43.2922 23.3456 H 41 TYR41 0.0621 655 HE1 23.5871 42.7314 20.6269 H 41 TYR41 0.0643 656 HE2 21.3148 44.9581 23.4670 H 41 TYR41 0.0643 657 HH 23.2646 45.6653 22.5570 H 41 TYR41 0.2173 658 N 21.9830 38.9660 22.4770 N.am 42 THR42 -0.2434 659 CA 22.9790 38.4600 23.4460 C.3 42 THR42 0.1135 660 C 23.4880 39.5800 24.3590 C.2 42 THR42 0.2210 661 O 24.1580 39.3230 25.3240 O.2 42 THR42 -0.2777 662 CB 24.1442 37.7130 22.7675 C.3 42 THR42 0.0763 663 OG1 25.0265 38.6198 22.1249 O.3 42 THR42 -0.3900 664 CG2 23.6392 36.6572 21.7692 C.3 42 THR42 -0.0370 665 H 22.2880 39.2080 21.5340 H 42 THR42 0.1313 666 HA 22.4528 37.7509 24.0875 H 42 THR42 0.0583 667 HB 24.6835 37.2044 23.5759 H 42 THR42 0.0611 668 HG1 25.7882 38.1652 21.7847 H 42 THR42 0.2098 669 HG21 24.4492 36.0357 21.3893 H 42 THR42 0.0255 670 HG22 23.1595 37.1258 20.9118 H 42 THR42 0.0255 671 HG23 22.9082 35.9959 22.2352 H 42 THR42 0.0255 672 N 23.2100 40.8330 24.0170 N.am 43 GLY43 -0.2484 673 CA 23.6810 41.9520 24.7980 C.3 43 GLY43 0.0765 674 C 25.0210 42.5100 24.3350 C.2 43 GLY43 0.2155 675 O 25.4680 43.5650 24.8580 O.2 43 GLY43 -0.2781 676 H 22.6500 41.0090 23.1830 H 43 GLY43 0.1309 677 HA1 23.7475 41.6689 25.8497 H 43 GLY43 0.0521 678 HA2 22.9282 42.7332 24.7197 H 43 GLY43 0.0521 679 N 25.6070 41.8970 23.3190 N.am 44 ILE44 -0.2456 680 CA 26.9010 42.2580 22.7770 C.3 44 ILE44 0.0903 681 C 26.7720 42.6880 21.3370 C.2 44 ILE44 0.2187 682 O 26.3150 41.9400 20.4830 O.2 44 ILE44 -0.2778 683 CB 27.8427 41.0306 22.8764 C.3 44 ILE44 -0.0201 684 CG1 27.8909 40.4490 24.3068 C.3 44 ILE44 -0.0514 685 CG2 29.2599 41.3684 22.3740 C.3 44 ILE44 -0.0605 686 CD1 28.6754 39.1352 24.4096 C.3 44 ILE44 -0.0650 687 H 25.1130 41.1160 22.8870 H 44 ILE44 0.1312 688 HA 27.3074 43.0876 23.3593 H 44 ILE44 0.0560 689 HB 27.4385 40.2504 22.2299 H 44 ILE44 0.0318 690 HG11 26.8831 40.2441 24.6684 H 44 ILE44 0.0266 691 HG12 28.3121 41.1859 24.9918 H 44 ILE44 0.0266 692 HG21 29.9066 40.4923 22.3730 H 44 ILE44 0.0233 693 HG22 29.7260 42.1273 23.0031 H 44 ILE44 0.0233 694 HG23 29.2492 41.7467 21.3520 H 44 ILE44 0.0233 695 HD11 28.5909 38.7177 25.4132 H 44 ILE44 0.0230 696 HD12 29.7362 39.2815 24.2088 H 44 ILE44 0.0230 697 HD13 28.2922 38.3952 23.7070 H 44 ILE44 0.0230 698 N 27.1510 43.9430 21.0340 N.am 45 GLY45 -0.2485 699 CA 27.2360 44.3930 19.6460 C.3 45 GLY45 0.0765 700 C 25.8790 44.2640 18.9470 C.2 45 GLY45 0.2155 701 O 24.8630 44.5610 19.5280 O.2 45 GLY45 -0.2781 702 H 27.3830 44.5920 21.7860 H 45 GLY45 0.1309 703 HA1 27.9956 43.8001 19.1372 H 45 GLY45 0.0521 704 HA2 27.5373 45.4404 19.6571 H 45 GLY45 0.0521 705 N 25.8620 43.7870 17.7360 N.am 46 ASP46 -0.2454 706 CA 24.6040 43.4130 17.0460 C.3 46 ASP46 0.0974 707 C 24.4500 41.8700 16.9630 C.2 46 ASP46 0.2192 708 O 23.8240 41.3950 16.0270 O.2 46 ASP46 -0.2778 709 CB 24.5787 44.1644 15.7029 C.3 46 ASP46 0.0576 710 CG 25.9568 44.0802 15.0346 C.2 46 ASP46 0.1780 711 OD1 26.1565 43.2263 14.2012 O.co2 46 ASP46 -0.6478 712 OD2 26.8618 44.8444 15.3517 O.co2 46 ASP46 -0.6478 713 H 26.7470 43.6660 17.2440 H 46 ASP46 0.1312 714 HA 23.7537 43.7646 17.6322 H 46 ASP46 0.0563 715 HB1 24.3599 45.2188 15.8723 H 46 ASP46 0.0394 716 HB2 23.8082 43.7843 15.0326 H 46 ASP46 0.0394 717 N 24.9570 41.1510 17.9730 N.am 47 GLN47 -0.2456 718 CA 24.9930 39.6640 17.9950 C.3 47 GLN47 0.0882 719 C 23.7210 39.1410 18.6380 C.2 47 GLN47 0.2187 720 O 23.4020 39.4930 19.7720 O.2 47 GLN47 -0.2778 721 CB 26.2319 39.2111 18.7726 C.3 47 GLN47 -0.0210 722 CG 26.3915 37.6819 18.8296 C.3 47 GLN47 0.0225 723 CD 27.6112 37.3006 19.6785 C.2 47 GLN47 0.1981 724 OE1 27.4997 36.7416 20.7643 O.2 47 GLN47 -0.2798 725 NE2 28.7820 37.6333 19.1150 N.am 47 GLN47 -0.2724 726 H 25.3410 41.6520 18.7740 H 47 GLN47 0.1312 727 HA 25.0373 39.3293 16.9629 H 47 GLN47 0.0557 728 HB1 26.1849 39.6202 19.7806 H 47 GLN47 0.0289 729 HB2 27.1108 39.6610 18.3107 H 47 GLN47 0.0289 730 HG1 26.5088 37.2658 17.8286 H 47 GLN47 0.0356 731 HG2 25.5118 37.2094 19.2671 H 47 GLN47 0.0356 732 HE21 29.6471 37.4569 19.5830 H 47 GLN47 0.1266 733 HE22 28.8064 38.0704 18.2158 H 47 GLN47 0.1266 734 N 23.0290 38.2980 17.8630 N.am 48 VAL48 -0.2454 735 CA 21.8620 37.5920 18.3270 C.3 48 VAL48 0.0901 736 C 22.1800 36.0980 18.3610 C.2 48 VAL48 0.2189 737 O 23.1610 35.6350 17.7870 O.2 48 VAL48 -0.2778 738 CB 20.6462 37.9231 17.4375 C.3 48 VAL48 -0.0227 739 CG1 20.3137 39.4206 17.4768 C.3 48 VAL48 -0.0608 740 CG2 20.8323 37.4652 15.9861 C.3 48 VAL48 -0.0608 741 H 23.3410 38.1490 16.9030 H 48 VAL48 0.1312 742 HA 21.6502 37.9055 19.3496 H 48 VAL48 0.0560 743 HB 19.7796 37.4010 17.8436 H 48 VAL48 0.0315 744 HG11 19.4092 39.6336 16.9065 H 48 VAL48 0.0233 745 HG12 21.1197 40.0154 17.0469 H 48 VAL48 0.0233 746 HG13 20.1488 39.7663 18.4966 H 48 VAL48 0.0233 747 HG21 19.9661 37.7469 15.3889 H 48 VAL48 0.0233 748 HG22 20.9496 36.3842 15.9113 H 48 VAL48 0.0233 749 HG23 21.7079 37.9334 15.5359 H 48 VAL48 0.0233 750 N 21.2770 35.3440 18.9560 N.am 49 GLN49 -0.2456 751 CA 21.4460 33.8780 19.0560 C.3 49 GLN49 0.0882 752 C 20.0930 33.2060 18.9250 C.2 49 GLN49 0.2187 753 O 19.0680 33.7420 19.3410 O.2 49 GLN49 -0.2778 754 CB 22.1344 33.5395 20.3880 C.3 49 GLN49 -0.0210 755 CG 22.5054 32.0530 20.5128 C.3 49 GLN49 0.0225 756 CD 23.3602 31.7930 21.7585 C.2 49 GLN49 0.1981 757 OE1 24.4853 32.2586 21.8697 O.2 49 GLN49 -0.2798 758 NE2 22.7706 31.0216 22.6821 N.am 49 GLN49 -0.2724 759 H 20.4460 35.7800 19.3550 H 49 GLN49 0.1312 760 HA 22.0606 33.5620 18.2163 H 49 GLN49 0.0557 761 HB1 21.5020 33.8451 21.2229 H 49 GLN49 0.0289 762 HB2 23.0401 34.1421 20.4621 H 49 GLN49 0.0289 763 HG1 23.0886 31.7409 19.6483 H 49 GLN49 0.0356 764 HG2 21.6129 31.4288 20.5502 H 49 GLN49 0.0356 765 HE21 23.2735 30.7703 23.5078 H 49 GLN49 0.1266 766 HE22 21.8290 30.7041 22.5732 H 49 GLN49 0.1266 767 N 20.0830 32.0340 18.3060 N.am 50 CYS50 -0.2449 768 CA 18.8770 31.2150 18.1820 C.3 50 CYS50 0.0965 769 C 18.6270 30.4010 19.4670 C.2 50 CYS50 0.2195 770 O 19.5340 29.7290 19.9630 O.2 50 CYS50 -0.2778 771 CB 19.0470 30.2840 16.9920 C.3 50 CYS50 0.0147 772 SG 17.6360 29.1940 16.7600 S.3 50 CYS50 -0.1762 773 H 20.9520 31.6890 17.8990 H 50 CYS50 0.1312 774 HA 18.0020 31.8820 17.9990 H 50 CYS50 0.0565 775 HB1 19.2670 30.8590 16.0620 H 50 CYS50 0.0394 776 HB2 19.9330 29.6390 17.2000 H 50 CYS50 0.0394 777 HG 17.7910 28.3430 15.6720 H 50 CYS50 0.1017 778 N 17.3890 30.4800 19.9490 N.am 51 PHE51 -0.2453 779 CA 16.9830 29.6820 21.1130 C.3 51 PHE51 0.0917 780 C 17.0830 28.1810 20.8670 C.2 51 PHE51 0.2190 781 O 17.2220 27.4410 21.8010 O.2 51 PHE51 -0.2778 782 CB 15.5601 30.0665 21.5743 C.3 51 PHE51 -0.0036 783 CG 14.4568 29.4352 20.7573 C.ar 51 PHE51 -0.0454 784 CD1 13.9160 30.0892 19.6567 C.ar 51 PHE51 -0.0585 785 CD2 13.9588 28.1808 21.1027 C.ar 51 PHE51 -0.0585 786 CE1 12.8956 29.5086 18.9163 C.ar 51 PHE51 -0.0615 787 CE2 12.9560 27.5854 20.3507 C.ar 51 PHE51 -0.0615 788 CZ 12.4137 28.2551 19.2647 C.ar 51 PHE51 -0.0617 789 H 16.7140 31.1020 19.5050 H 51 PHE51 0.1312 790 HA 17.6856 29.9189 21.9118 H 51 PHE51 0.0560 791 HB1 15.4438 31.1505 21.5698 H 51 PHE51 0.0333 792 HB2 15.4237 29.7564 22.6110 H 51 PHE51 0.0333 793 HD1 14.2700 31.0692 19.3896 H 51 PHE51 0.0620 794 HD2 14.3535 27.6615 21.9653 H 51 PHE51 0.0620 795 HE1 12.4619 30.0404 18.0819 H 51 PHE51 0.0618 796 HE2 12.5803 26.6105 20.6255 H 51 PHE51 0.0618 797 HZ 11.6043 27.8055 18.7077 H 51 PHE51 0.0618 798 N 16.9290 27.7840 19.6270 N.am 52 ALA52 -0.2459 799 CA 16.7950 26.3830 19.2490 C.3 52 ALA52 0.0850 800 C 18.1660 25.7420 19.0260 C.2 52 ALA52 0.2184 801 O 18.6020 24.8680 19.7730 O.2 52 ALA52 -0.2778 802 CB 15.9095 26.2901 17.9998 C.3 52 ALA52 -0.0411 803 H 16.9020 28.4900 18.8910 H 52 ALA52 0.1312 804 HA 16.3084 25.8549 20.0733 H 52 ALA52 0.0554 805 HB1 15.8513 25.2708 17.6199 H 52 ALA52 0.0249 806 HB2 16.2728 26.9213 17.1925 H 52 ALA52 0.0249 807 HB3 14.8938 26.6099 18.2344 H 52 ALA52 0.0249 808 N 18.8750 26.1970 17.9930 N.am 53 CYS53 -0.2449 809 CA 20.1560 25.6300 17.6910 C.3 53 CYS53 0.0965 810 C 21.3510 26.2130 18.4530 C.2 53 CYS53 0.2192 811 O 22.4180 25.5960 18.4680 O.2 53 CYS53 -0.2778 812 CB 20.4250 25.6740 16.2050 C.3 53 CYS53 0.0147 813 SG 20.7430 27.3660 15.4850 S.3 53 CYS53 -0.1762 814 H 18.5040 26.9520 17.4150 H 53 CYS53 0.1312 815 HA 20.0980 24.5520 17.9700 H 53 CYS53 0.0565 816 HB1 21.2680 24.9890 15.9520 H 53 CYS53 0.0394 817 HB2 19.5170 25.2710 15.6990 H 53 CYS53 0.0394 818 HG 20.9900 27.4060 14.1180 H 53 CYS53 0.1017 819 N 21.1790 27.3910 19.0370 N.am 54 GLY54 -0.2484 820 CA 22.2400 28.1430 19.6850 C.3 54 GLY54 0.0765 821 C 23.2270 28.8390 18.7960 C.2 54 GLY54 0.2153 822 O 24.2210 29.4180 19.2820 O.2 54 GLY54 -0.2781 823 H 20.2420 27.7950 19.0310 H 54 GLY54 0.1309 824 HA1 22.7871 27.4515 20.3271 H 54 GLY54 0.0521 825 HA2 21.7722 28.8798 20.3359 H 54 GLY54 0.0521 826 N 22.9920 28.8230 17.5180 N.am 55 GLY55 -0.2487 827 CA 23.8230 29.5430 16.5660 C.3 55 GLY55 0.0765 828 C 23.7380 31.0340 16.7570 C.2 55 GLY55 0.2155 829 O 22.6670 31.5610 17.1570 O.2 55 GLY55 -0.2781 830 H 22.1970 28.2870 17.1700 H 55 GLY55 0.1309 831 HA1 23.4695 29.2834 15.5712 H 55 GLY55 0.0521 832 HA2 24.8535 29.1976 16.6760 H 55 GLY55 0.0521 833 N 24.8660 31.7180 16.5060 N.am 56 LYS56 -0.2459 834 CA 24.9340 33.1510 16.6370 C.3 56 LYS56 0.0878 835 C 25.0800 33.7960 15.2840 C.2 56 LYS56 0.2187 836 O 25.6450 33.2230 14.3070 O.2 56 LYS56 -0.2778 837 CB 26.1498 33.5213 17.4983 C.3 56 LYS56 -0.0289 838 CG 25.9571 33.2228 18.9895 C.3 56 LYS56 -0.0496 839 CD 27.1898 33.6501 19.7978 C.3 56 LYS56 -0.0278 840 CE 26.9306 33.6895 21.3084 C.3 56 LYS56 0.1103 841 NZ 27.9772 34.3860 22.0554 N.4 56 LYS56 -0.0749 842 H 25.7000 31.2080 16.2140 H 56 LYS56 0.1312 843 HA 24.0198 33.5237 17.0945 H 56 LYS56 0.0557 844 HB1 26.3614 34.5877 17.3967 H 56 LYS56 0.0285 845 HB2 27.0319 32.9988 17.1264 H 56 LYS56 0.0285 846 HG1 25.7502 32.1635 19.1485 H 56 LYS56 0.0266 847 HG2 25.0794 33.7669 19.3407 H 56 LYS56 0.0266 848 HD1 27.4959 34.6364 19.4569 H 56 LYS56 0.0282 849 HD2 28.0259 32.9864 19.5737 H 56 LYS56 0.0282 850 HE1 26.8486 32.6749 21.7021 H 56 LYS56 0.0559 851 HE2 25.9894 34.2040 21.5129 H 56 LYS56 0.0559 852 HZ1 27.7449 34.3906 23.0693 H 56 LYS56 0.2742 853 HZ2 28.0419 35.3709 21.7227 H 56 LYS56 0.2742 854 HZ3 28.8919 33.9143 21.9085 H 56 LYS56 0.2742 855 N 24.6480 35.0800 15.2260 N.am 57 LEU57 -0.2456 856 CA 24.6870 35.8220 14.0200 C.3 57 LEU57 0.0880 857 C 25.0090 37.2410 14.4100 C.2 57 LEU57 0.2187 858 O 24.4060 37.7600 15.3600 O.2 57 LEU57 -0.2778 859 CB 23.2899 35.8187 13.3582 C.3 57 LEU57 -0.0266 860 CG 22.7720 34.4521 12.8667 C.3 57 LEU57 -0.0449 861 CD1 21.2549 34.4985 12.6394 C.3 57 LEU57 -0.0626 862 CD2 23.4788 34.0158 11.5784 C.3 57 LEU57 -0.0626 863 H 24.2860 35.5220 16.0710 H 57 LEU57 0.1312 864 HA 25.4593 35.4401 13.3533 H 57 LEU57 0.0557 865 HB1 23.2817 36.5144 12.5168 H 57 LEU57 0.0287 866 HB2 22.5744 36.2160 14.0786 H 57 LEU57 0.0287 867 HG 22.9530 33.7023 13.6351 H 57 LEU57 0.0296 868 HD11 20.8648 33.5156 12.3802 H 57 LEU57 0.0232 869 HD12 21.0015 35.1800 11.8276 H 57 LEU57 0.0232 870 HD13 20.7342 34.8354 13.5352 H 57 LEU57 0.0232 871 HD21 23.0790 33.0730 11.2049 H 57 LEU57 0.0232 872 HD22 24.5458 33.8802 11.7380 H 57 LEU57 0.0232 873 HD23 23.3549 34.7622 10.7926 H 57 LEU57 0.0232 874 N 25.9520 37.8700 13.7120 N.am 58 LYS58 -0.2457 875 CA 26.2850 39.2780 14.0150 C.3 58 LYS58 0.0878 876 C 26.8470 39.9180 12.7290 C.2 58 LYS58 0.2187 877 O 26.9430 39.2760 11.6970 O.2 58 LYS58 -0.2778 878 CB 27.1276 39.5066 15.2944 C.3 58 LYS58 -0.0289 879 CG 28.6471 39.7571 15.1481 C.3 58 LYS58 -0.0496 880 CD 29.2350 40.7136 16.2065 C.3 58 LYS58 -0.0278 881 CE 28.5945 42.1199 16.3173 C.3 58 LYS58 0.1103 882 NZ 28.5807 42.9612 15.1202 N.4 58 LYS58 -0.0749 883 H 26.4460 37.3790 12.9660 H 58 LYS58 0.1312 884 HA 25.3203 39.7707 14.1607 H 58 LYS58 0.0557 885 HB1 26.9628 38.6904 15.9958 H 58 LYS58 0.0285 886 HB2 26.6849 40.3789 15.7679 H 58 LYS58 0.0285 887 HG1 28.9184 40.1456 14.1754 H 58 LYS58 0.0266 888 HG2 29.1674 38.8007 15.1982 H 58 LYS58 0.0266 889 HD1 30.3006 40.8310 16.0059 H 58 LYS58 0.0282 890 HD2 29.1711 40.2307 17.1820 H 58 LYS58 0.0282 891 HE1 29.1305 42.6816 17.0837 H 58 LYS58 0.0559 892 HE2 27.5679 42.0504 16.6742 H 58 LYS58 0.0559 893 HZ1 28.3117 43.9378 15.3668 H 58 LYS58 0.2742 894 HZ2 27.8134 42.6808 14.4739 H 58 LYS58 0.2742 895 HZ3 29.4907 42.9639 14.6272 H 58 LYS58 0.2742 896 N 27.1990 41.2010 12.8070 N.am 59 ASN59 -0.2452 897 CA 27.7270 41.9430 11.6760 C.3 59 ASN59 0.0957 898 C 26.8220 41.8930 10.4990 C.2 59 ASN59 0.2191 899 O 27.1380 41.4890 9.3740 O.2 59 ASN59 -0.2778 900 CB 29.1007 41.4109 11.1948 C.3 59 ASN59 0.0446 901 CG 30.2105 41.4633 12.2487 C.2 59 ASN59 0.2000 902 OD1 30.1577 42.1973 13.2256 O.2 59 ASN59 -0.2797 903 ND2 31.2286 40.6322 11.9871 N.am 59 ASN59 -0.2723 904 H 27.0930 41.6830 13.7000 H 59 ASN59 0.1312 905 HA 27.7995 42.9828 11.9972 H 59 ASN59 0.0562 906 HB1 29.4539 41.9946 10.3431 H 59 ASN59 0.0375 907 HB2 29.0156 40.3817 10.8443 H 59 ASN59 0.0375 908 HD21 32.0148 40.5846 12.6009 H 59 ASN59 0.1266 909 HD22 31.2127 40.0479 11.1756 H 59 ASN59 0.1266 910 N 25.5940 42.3010 10.7850 N.am 60 TRP60 -0.2453 911 CA 24.5270 42.2980 9.8130 C.3 60 TRP60 0.0918 912 C 24.8250 43.3520 8.7280 C.2 60 TRP60 0.2190 913 O 25.2780 44.4060 9.0510 O.2 60 TRP60 -0.2778 914 CB 23.2086 42.6145 10.5265 C.3 60 TRP60 -0.0021 915 CG 22.8464 41.5005 11.4911 C.ar 60 TRP60 -0.0260 916 CD1 23.2368 41.3873 12.8293 C.ar 60 TRP60 -0.0136 917 CD2 22.0055 40.3634 11.2195 C.ar 60 TRP60 -0.0028 918 NE1 22.6858 40.2674 13.3659 N.ar 60 TRP60 -0.2641 919 CE2 21.9136 39.6128 12.4125 C.ar 60 TRP60 0.0269 920 CE3 21.3400 39.9544 10.0992 C.ar 60 TRP60 -0.0528 921 CZ2 21.1510 38.4759 12.4395 C.ar 60 TRP60 -0.0430 922 CZ3 20.5732 38.7914 10.1178 C.ar 60 TRP60 -0.0611 923 CH2 20.4733 38.0523 11.2954 C.ar 60 TRP60 -0.0602 924 H 25.3950 42.6300 11.7300 H 60 TRP60 0.1312 925 HA 24.4928 41.3078 9.3545 H 60 TRP60 0.0560 926 HB1 22.4137 42.7284 9.7903 H 60 TRP60 0.0334 927 HB2 23.2784 43.5569 11.0708 H 60 TRP60 0.0334 928 HD1 23.8792 42.0840 13.3496 H 60 TRP60 0.0748 929 HE1 22.8095 39.9755 14.2934 H 60 TRP60 0.1331 930 HE3 21.4244 40.5435 9.2009 H 60 TRP60 0.0624 931 HZ2 21.0776 37.9004 13.3459 H 60 TRP60 0.0633 932 HZ3 20.0597 38.4732 9.2218 H 60 TRP60 0.0618 933 HH2 19.8730 37.1557 11.3194 H 60 TRP60 0.0618 934 N 24.5510 43.0060 7.4900 N.am 61 GLU61 -0.2456 935 CA 24.7500 43.8490 6.3090 C.3 61 GLU61 0.0885 936 C 23.4410 44.2570 5.7050 C.2 61 GLU61 0.2214 937 O 22.4350 43.5620 5.8290 O.2 61 GLU61 -0.2776 938 CB 25.5609 42.9906 5.3057 C.3 61 GLU61 -0.0192 939 CG 26.9843 42.6386 5.8028 C.3 61 GLU61 0.0356 940 CD 27.6735 41.5285 4.9753 C.2 61 GLU61 0.1760 941 OE1 27.5362 41.5094 3.7553 O.co2 61 GLU61 -0.6478 942 OE2 28.3405 40.6771 5.5661 O.co2 61 GLU61 -0.6478 943 H 24.1680 42.0730 7.3390 H 61 GLU61 0.1312 944 HA 25.3184 44.7281 6.6122 H 61 GLU61 0.0557 945 HB1 25.6434 43.4892 4.3398 H 61 GLU61 0.0290 946 HB2 25.0067 42.0706 5.1109 H 61 GLU61 0.0290 947 HG1 26.9547 42.2990 6.8374 H 61 GLU61 0.0374 948 HG2 27.6218 43.5204 5.7815 H 61 GLU61 0.0374 949 N 23.4280 45.4080 4.9900 N.am 62 PRO62 -0.2316 950 CA 22.2040 45.8090 4.3670 C.3 62 PRO62 0.0907 951 C 21.7600 44.7440 3.3360 C.2 62 PRO62 0.2187 952 O 22.6010 44.1170 2.6750 O.2 62 PRO62 -0.2778 953 CB 22.5596 47.1549 3.7208 C.3 62 PRO62 -0.0276 954 CG 24.0825 47.1470 3.5896 C.3 62 PRO62 -0.0379 955 CD 24.5666 46.2878 4.7559 C.3 62 PRO62 0.0071 956 HA 21.4444 45.9189 5.1427 H 62 PRO62 0.0559 957 HB1 22.2678 47.9600 4.3957 H 62 PRO62 0.0285 958 HB2 22.0579 47.3301 2.7684 H 62 PRO62 0.0285 959 HG1 24.5168 48.1467 3.5927 H 62 PRO62 0.0278 960 HG2 24.3599 46.6642 2.6516 H 62 PRO62 0.0278 961 HD1 25.4557 45.7077 4.5056 H 62 PRO62 0.0431 962 HD2 24.7266 46.8641 5.6682 H 62 PRO62 0.0431 963 N 20.4620 44.4820 3.2830 N.am 63 GLY63 -0.2485 964 CA 19.9290 43.4280 2.4620 C.3 63 GLY63 0.0765 965 C 19.7790 42.1220 3.1930 C.2 63 GLY63 0.2155 966 O 19.0430 41.2440 2.7140 O.2 63 GLY63 -0.2781 967 H 19.8210 45.0450 3.8420 H 63 GLY63 0.1309 968 HA1 20.5647 43.2828 1.5863 H 63 GLY63 0.0521 969 HA2 18.9501 43.7574 2.1178 H 63 GLY63 0.0521 970 N 20.4300 41.9770 4.3520 N.am 64 ASP64 -0.2454 971 CA 20.2740 40.7260 5.1340 C.3 64 ASP64 0.0974 972 C 18.8100 40.5540 5.5560 C.2 64 ASP64 0.2192 973 O 18.1120 41.4940 5.9330 O.2 64 ASP64 -0.2778 974 CB 21.0544 40.7927 6.4631 C.3 64 ASP64 0.0576 975 CG 22.4250 40.1328 6.4247 C.2 64 ASP64 0.1780 976 OD1 22.7376 39.4074 5.4892 O.co2 64 ASP64 -0.6478 977 OD2 23.1936 40.3224 7.3576 O.co2 64 ASP64 -0.6478 978 H 21.0320 42.7240 4.6970 H 64 ASP64 0.1312 979 HA 20.5704 39.8877 4.5008 H 64 ASP64 0.0563 980 HB1 20.5335 40.2499 7.2519 H 64 ASP64 0.0394 981 HB2 21.1496 41.8153 6.8216 H 64 ASP64 0.0394 982 N 18.3380 39.3290 5.4890 N.am 65 ARG65 -0.2456 983 CA 17.0760 38.9370 6.1120 C.3 65 ARG65 0.0879 984 C 17.4070 37.9620 7.2860 C.2 65 ARG65 0.2187 985 O 18.3180 37.1470 7.1730 O.2 65 ARG65 -0.2778 986 CB 16.1222 38.3143 5.0826 C.3 65 ARG65 -0.0258 987 CG 15.5877 39.3265 4.0495 C.3 65 ARG65 -0.0154 988 CD 14.3037 40.0687 4.4776 C.3 65 ARG65 0.1045 989 NE 14.4832 40.8765 5.6767 N.pl3 65 ARG65 -0.4450 990 CZ 15.1834 41.9937 5.7840 C.cat 65 ARG65 0.5062 991 NH1 15.7935 42.5195 4.7584 N.pl3 65 ARG65 -0.4573 992 NH2 15.2601 42.5646 6.9465 N.pl3 65 ARG65 -0.4573 993 H 18.8740 38.6240 4.9820 H 65 ARG65 0.1312 994 HA 16.6169 39.8066 6.5798 H 65 ARG65 0.0557 995 HB1 15.2824 37.8339 5.5867 H 65 ARG65 0.0286 996 HB2 16.6566 37.5200 4.5614 H 65 ARG65 0.0286 997 HG1 15.3548 38.7814 3.1346 H 65 ARG65 0.0299 998 HG2 16.3691 40.0339 3.7716 H 65 ARG65 0.0299 999 HD1 13.5082 39.3577 4.7101 H 65 ARG65 0.0711 1000 HD2 13.9281 40.7202 3.6860 H 65 ARG65 0.0711 1001 HE 14.0825 40.6560 6.5801 H 65 ARG65 0.3153 1002 HH11 16.3368 43.3412 4.8874 H 65 ARG65 0.3114 1003 HH12 15.7157 42.0783 3.8725 H 65 ARG65 0.3114 1004 HH21 15.7774 43.3876 7.1308 H 65 ARG65 0.3114 1005 HH22 14.7472 42.0970 7.6853 H 65 ARG65 0.3114 1006 N 16.7050 38.0920 8.4140 N.am 66 ALA66 -0.2459 1007 CA 16.9500 37.2060 9.5660 C.3 66 ALA66 0.0850 1008 C 16.8290 35.7280 9.2310 C.2 66 ALA66 0.2184 1009 O 17.7240 34.9500 9.5540 O.2 66 ALA66 -0.2778 1010 CB 15.9835 37.5885 10.6940 C.3 66 ALA66 -0.0411 1011 H 15.9890 38.8150 8.4800 H 66 ALA66 0.1312 1012 HA 17.9742 37.3988 9.8829 H 66 ALA66 0.0554 1013 HB1 16.2058 37.0430 11.6109 H 66 ALA66 0.0249 1014 HB2 14.9486 37.3806 10.4217 H 66 ALA66 0.0249 1015 HB3 16.0544 38.6536 10.9179 H 66 ALA66 0.0249 1016 N 15.7390 35.3440 8.5760 N.am 67 TRP67 -0.2453 1017 CA 15.4780 33.9410 8.3070 C.3 67 TRP67 0.0918 1018 C 16.5340 33.4110 7.3580 C.2 67 TRP67 0.2191 1019 O 17.1050 32.3300 7.5560 O.2 67 TRP67 -0.2778 1020 CB 14.0829 33.7745 7.6780 C.3 67 TRP67 -0.0021 1021 CG 13.0290 33.6271 8.7527 C.ar 67 TRP67 -0.0260 1022 CD1 12.3208 34.6619 9.3696 C.ar 67 TRP67 -0.0136 1023 CD2 12.5304 32.3938 9.3123 C.ar 67 TRP67 -0.0028 1024 NE1 11.4403 34.1300 10.2530 N.ar 67 TRP67 -0.2641 1025 CE2 11.5163 32.7430 10.2330 C.ar 67 TRP67 0.0269 1026 CE3 12.8389 31.0756 9.0992 C.ar 67 TRP67 -0.0528 1027 CZ2 10.8414 31.7648 10.9117 C.ar 67 TRP67 -0.0430 1028 CZ3 12.1532 30.0752 9.7899 C.ar 67 TRP67 -0.0611 1029 CH2 11.1506 30.4210 10.6959 C.ar 67 TRP67 -0.0602 1030 H 15.0730 36.0470 8.2560 H 67 TRP67 0.1312 1031 HA 15.5585 33.3948 9.2486 H 67 TRP67 0.0560 1032 HB1 14.0343 32.8879 7.0433 H 67 TRP67 0.0334 1033 HB2 13.8398 34.6243 7.0390 H 67 TRP67 0.0334 1034 HD1 12.4528 35.7172 9.1757 H 67 TRP67 0.0748 1035 HE1 10.8239 34.6463 10.8136 H 67 TRP67 0.1331 1036 HE3 13.6019 30.8094 8.3835 H 67 TRP67 0.0624 1037 HZ2 10.0701 32.0377 11.6171 H 67 TRP67 0.0633 1038 HZ3 12.3792 29.0335 9.6110 H 67 TRP67 0.0618 1039 HH2 10.6097 29.6497 11.2259 H 67 TRP67 0.0618 1040 N 16.7770 34.1690 6.3000 N.am 68 SER68 -0.2436 1041 CA 17.7170 33.7510 5.2680 C.3 68 SER68 0.1109 1042 C 19.1840 33.5760 5.8160 C.2 68 SER68 0.2209 1043 O 19.8250 32.5570 5.5990 O.2 68 SER68 -0.2777 1044 CB 17.7233 34.7781 4.1249 C.3 68 SER68 0.0681 1045 OG 18.3078 34.2227 2.9446 O.3 68 SER68 -0.3930 1046 H 16.2960 35.0640 6.2050 H 68 SER68 0.1312 1047 HA 17.3644 32.7860 4.9074 H 68 SER68 0.0580 1048 HB1 18.2528 35.6835 4.4553 H 68 SER68 0.0577 1049 HB2 16.6925 35.0710 3.9032 H 68 SER68 0.0577 1050 HG 18.4929 34.9170 2.3100 H 68 SER68 0.2095 1051 N 19.6560 34.4670 6.6730 N.am 69 GLU69 -0.2456 1052 CA 20.9410 34.3360 7.3280 C.3 69 GLU69 0.0883 1053 C 20.9690 33.1610 8.3540 C.2 69 GLU69 0.2187 1054 O 21.9430 32.4290 8.4850 O.2 69 GLU69 -0.2778 1055 CB 21.3869 35.6790 7.9154 C.3 69 GLU69 -0.0193 1056 CG 21.7508 36.6753 6.8048 C.3 69 GLU69 0.0356 1057 CD 22.7537 36.0110 5.8470 C.2 69 GLU69 0.1760 1058 OE1 23.9288 35.9152 6.1770 O.co2 69 GLU69 -0.6478 1059 OE2 22.3707 35.5586 4.7679 O.co2 69 GLU69 -0.6478 1060 H 19.0860 35.2870 6.8830 H 69 GLU69 0.1312 1061 HA 21.6379 33.9941 6.5670 H 69 GLU69 0.0557 1062 HB1 22.2613 35.5262 8.5491 H 69 GLU69 0.0290 1063 HB2 20.6085 36.0938 8.5561 H 69 GLU69 0.0290 1064 HG1 22.1963 37.5694 7.2329 H 69 GLU69 0.0374 1065 HG2 20.8721 36.9900 6.2426 H 69 GLU69 0.0374 1066 N 19.8650 33.0080 9.0800 N.am 70 HIS70 -0.2453 1067 CA 19.7540 31.8540 10.0220 C.3 70 HIS70 0.0927 1068 C 19.8880 30.5410 9.2680 C.2 70 HIS70 0.2190 1069 O 20.6850 29.6830 9.6760 O.2 70 HIS70 -0.2778 1070 CB 18.4100 31.9620 10.7230 C.3 70 HIS70 0.0081 1071 CG 18.2280 31.0840 11.9050 C.ar 70 HIS70 0.0177 1072 ND1 17.1410 31.2440 12.7290 N.ar 70 HIS70 -0.2513 1073 H1 16.3130 31.9830 12.5800 H 70 HIS70 0.1342 1074 CD2 18.9840 30.1060 12.4390 C.ar 70 HIS70 0.0428 1075 CE1 17.2330 30.3740 13.7370 C.ar 70 HIS70 0.0735 1076 NE2 18.3050 29.6560 13.5560 N.ar 70 HIS70 -0.2501 1077 H 19.0980 33.6750 8.9940 H 70 HIS70 0.1312 1078 HA 20.5680 31.9230 10.7810 H 70 HIS70 0.0561 1079 HB1 17.5850 31.7920 9.9920 H 70 HIS70 0.0343 1080 HB2 18.3140 33.0130 11.0820 H 70 HIS70 0.0343 1081 HD2 19.9520 29.7370 12.0610 H 70 HIS70 0.0843 1082 HE1 16.5250 30.2790 14.5770 H 70 HIS70 0.0963 1083 N 19.1480 30.4080 8.1770 N.am 71 ARG71 -0.2456 1084 CA 19.1710 29.1880 7.3610 C.3 71 ARG71 0.0879 1085 C 20.5320 28.9900 6.6790 C.2 71 ARG71 0.2187 1086 O 21.0190 27.8400 6.5500 O.2 71 ARG71 -0.2778 1087 CB 18.0445 29.3398 6.3212 C.3 71 ARG71 -0.0258 1088 CG 18.0098 28.2744 5.1994 C.3 71 ARG71 -0.0154 1089 CD 17.8607 28.8930 3.8003 C.3 71 ARG71 0.1045 1090 NE 18.9634 29.8357 3.5654 N.pl3 71 ARG71 -0.4450 1091 CZ 18.8484 31.0464 3.0208 C.cat 71 ARG71 0.5062 1092 NH1 17.7200 31.4823 2.5328 N.pl3 71 ARG71 -0.4573 1093 NH2 19.8828 31.8368 2.9737 N.pl3 71 ARG71 -0.4573 1094 H 18.5420 31.1790 7.8950 H 71 ARG71 0.1312 1095 HA 18.9882 28.3368 8.0178 H 71 ARG71 0.0557 1096 HB1 18.1204 30.3398 5.8924 H 71 ARG71 0.0286 1097 HB2 17.0845 29.3429 6.8390 H 71 ARG71 0.0286 1098 HG1 17.1852 27.5843 5.3829 H 71 ARG71 0.0299 1099 HG2 18.9019 27.6501 5.2067 H 71 ARG71 0.0299 1100 HD1 16.8970 29.4003 3.7239 H 71 ARG71 0.0711 1101 HD2 17.9067 28.1259 3.0235 H 71 ARG71 0.0711 1102 HE 19.8812 29.5671 3.8566 H 71 ARG71 0.3153 1103 HH11 17.6737 32.4267 2.2072 H 71 ARG71 0.3114 1104 HH12 16.9247 30.8854 2.4911 H 71 ARG71 0.3114 1105 HH21 19.7864 32.7581 2.5977 H 71 ARG71 0.3114 1106 HH22 20.7639 31.5441 3.3318 H 71 ARG71 0.3114 1107 N 21.1970 30.0760 6.2460 N.am 72 ARG72 -0.2457 1108 CA 22.4730 29.9360 5.5710 C.3 72 ARG72 0.0879 1109 C 23.5630 29.3980 6.4780 C.2 72 ARG72 0.2187 1110 O 24.3720 28.5110 6.0750 O.2 72 ARG72 -0.2778 1111 CB 22.9058 31.3311 4.9940 C.3 72 ARG72 -0.0258 1112 CG 24.4357 31.5633 4.8276 C.3 72 ARG72 -0.0154 1113 CD 24.9161 32.5824 3.7651 C.3 72 ARG72 0.1045 1114 NE 24.6465 33.9947 4.0621 N.pl3 72 ARG72 -0.4450 1115 CZ 25.2629 35.0339 3.4808 C.cat 72 ARG72 0.5062 1116 NH1 26.2948 34.8764 2.6978 N.pl3 72 ARG72 -0.4573 1117 NH2 24.8403 36.2459 3.6813 N.pl3 72 ARG72 -0.4573 1118 H 20.8010 31.0040 6.3930 H 72 ARG72 0.1312 1119 HA 22.3474 29.2175 4.7596 H 72 ARG72 0.0557 1120 HB1 22.5250 32.1249 5.6377 H 72 ARG72 0.0286 1121 HB2 22.4166 31.4743 4.0329 H 72 ARG72 0.0286 1122 HG1 24.8909 30.6134 4.5460 H 72 ARG72 0.0299 1123 HG2 24.8706 31.8209 5.7933 H 72 ARG72 0.0299 1124 HD1 24.4688 32.3669 2.7934 H 72 ARG72 0.0711 1125 HD2 25.9980 32.4721 3.6664 H 72 ARG72 0.0711 1126 HE 23.9698 34.3542 4.7252 H 72 ARG72 0.3153 1127 HH11 26.7121 35.6903 2.3005 H 72 ARG72 0.3114 1128 HH12 26.6498 33.9677 2.5198 H 72 ARG72 0.3114 1129 HH21 25.2451 37.0631 3.2845 H 72 ARG72 0.3114 1130 HH22 24.0423 36.3303 4.2963 H 72 ARG72 0.3114 1131 N 23.6440 29.9300 7.6890 N.am 73 HIS73 -0.2453 1132 CA 24.6650 29.5210 8.5980 C.3 73 HIS73 0.0932 1133 C 24.3130 28.2430 9.3540 C.2 73 HIS73 0.2191 1134 O 25.2250 27.4770 9.7280 O.2 73 HIS73 -0.2778 1135 CB 24.9855 30.6928 9.5419 C.3 73 HIS73 0.0146 1136 CG 25.5631 31.8498 8.7503 C.ar 73 HIS73 0.0551 1137 ND1 26.7542 31.8059 8.1127 N.ar 73 HIS73 -0.2469 1138 CD2 25.0080 33.1249 8.5435 C.ar 73 HIS73 0.0047 1139 CE1 26.9213 33.0185 7.5544 C.ar 73 HIS73 0.0737 1140 NE2 25.8679 33.8227 7.7714 N.ar 73 HIS73 -0.2539 1141 H 22.9690 30.6400 7.9740 H 73 HIS73 0.1312 1142 HA 25.5690 29.3023 8.0239 H 73 HIS73 0.0561 1143 HB1 25.7160 30.3984 10.2969 H 73 HIS73 0.0348 1144 HB2 24.0892 31.0307 10.0602 H 73 HIS73 0.0348 1145 HD2 24.0688 33.4980 8.9180 H 73 HIS73 0.0764 1146 HE1 27.7971 33.3155 6.9958 H 73 HIS73 0.0963 1147 HE2 25.7468 34.7452 7.4541 H 73 HIS73 0.1339 1148 N 23.0340 28.0210 9.5900 N.am 74 PHE74 -0.2453 1149 CA 22.5910 26.9550 10.4920 C.3 74 PHE74 0.0920 1150 C 21.4320 26.1810 9.8540 C.2 74 PHE74 0.2217 1151 O 20.3490 26.0620 10.4020 O.2 74 PHE74 -0.2776 1152 CB 22.1615 27.5359 11.8465 C.3 74 PHE74 -0.0036 1153 CG 23.2247 28.3973 12.4736 C.ar 74 PHE74 -0.0454 1154 CD1 24.3670 27.8153 13.0159 C.ar 74 PHE74 -0.0585 1155 CD2 23.1197 29.7865 12.4539 C.ar 74 PHE74 -0.0585 1156 CE1 25.3956 28.6060 13.5110 C.ar 74 PHE74 -0.0615 1157 CE2 24.1423 30.5774 12.9609 C.ar 74 PHE74 -0.0615 1158 CZ 25.2848 29.9882 13.4802 C.ar 74 PHE74 -0.0617 1159 H 22.3360 28.6070 9.1330 H 74 PHE74 0.1312 1160 HA 23.4119 26.2521 10.6466 H 74 PHE74 0.0560 1161 HB1 21.9256 26.7208 12.5306 H 74 PHE74 0.0333 1162 HB2 21.2559 28.1212 11.7184 H 74 PHE74 0.0333 1163 HD1 24.4915 26.7417 13.0024 H 74 PHE74 0.0620 1164 HD2 22.2770 30.2689 11.9815 H 74 PHE74 0.0620 1165 HE1 26.2982 28.1484 13.8904 H 74 PHE74 0.0618 1166 HE2 24.0801 31.6544 12.9089 H 74 PHE74 0.0618 1167 HZ 26.0964 30.6074 13.8358 H 74 PHE74 0.0618 1168 N 21.6840 25.5100 8.7430 N.am 75 PRO75 -0.2316 1169 CA 20.5790 24.9180 7.9910 C.3 75 PRO75 0.0907 1170 C 19.9460 23.7100 8.6520 C.2 75 PRO75 0.2189 1171 O 18.8020 23.3590 8.3190 O.2 75 PRO75 -0.2778 1172 CB 21.2570 24.5108 6.6748 C.3 75 PRO75 -0.0276 1173 CG 22.7232 24.2884 7.0415 C.3 75 PRO75 -0.0379 1174 CD 23.0001 25.3189 8.1337 C.3 75 PRO75 0.0071 1175 HA 19.8149 25.6778 7.8198 H 75 PRO75 0.0559 1176 HB1 21.1933 25.3377 5.9674 H 75 PRO75 0.0285 1177 HB2 20.8076 23.6420 6.1909 H 75 PRO75 0.0285 1178 HG1 23.3934 24.3914 6.1877 H 75 PRO75 0.0278 1179 HG2 22.8494 23.2835 7.4463 H 75 PRO75 0.0278 1180 HD1 23.7234 24.9712 8.8725 H 75 PRO75 0.0431 1181 HD2 23.3125 26.2682 7.6972 H 75 PRO75 0.0431 1182 N 20.6370 23.1020 9.6230 N.am 76 ASN76 -0.2452 1183 CA 20.0700 21.9530 10.2750 C.3 76 ASN76 0.0957 1184 C 19.4110 22.2710 11.5730 C.2 76 ASN76 0.2192 1185 O 19.0680 21.3720 12.3410 O.2 76 ASN76 -0.2778 1186 CB 21.2325 20.9703 10.5326 C.3 76 ASN76 0.0446 1187 CG 22.3618 21.5799 11.3977 C.2 76 ASN76 0.2000 1188 OD1 22.2502 22.6677 11.9548 O.2 76 ASN76 -0.2797 1189 ND2 23.4535 20.8060 11.4688 N.am 76 ASN76 -0.2723 1190 H 21.5560 23.4500 9.8980 H 76 ASN76 0.1312 1191 HA 19.3480 21.4711 9.6181 H 76 ASN76 0.0562 1192 HB1 21.6674 20.6665 9.5802 H 76 ASN76 0.0375 1193 HB2 20.8781 20.0587 11.0153 H 76 ASN76 0.0375 1194 HD21 24.2443 21.1100 11.9991 H 76 ASN76 0.1266 1195 HD22 23.5009 19.9239 11.0010 H 76 ASN76 0.1266 1196 N 19.1740 23.5760 11.8290 N.am 77 CYS77 -0.2449 1197 CA 18.4830 23.9980 13.0330 C.3 77 CYS77 0.0965 1198 C 17.0250 23.5010 12.9960 C.2 77 CYS77 0.2195 1199 O 16.3210 23.6290 11.9750 O.2 77 CYS77 -0.2778 1200 CB 18.4920 25.5270 13.0950 C.3 77 CYS77 0.0147 1201 SG 17.3350 26.2130 14.3070 S.3 77 CYS77 -0.1762 1202 H 19.4880 24.2800 11.1610 H 77 CYS77 0.1312 1203 HA 19.0000 23.5820 13.9290 H 77 CYS77 0.0565 1204 HB1 19.5240 25.9070 13.2770 H 77 CYS77 0.0394 1205 HB2 18.1770 25.8990 12.0920 H 77 CYS77 0.0394 1206 HG 17.3430 27.6020 14.3630 H 77 CYS77 0.1017 1207 N 16.5230 22.9080 14.0880 N.am 78 PHE78 -0.2453 1208 CA 15.1430 22.3970 14.0640 C.3 78 PHE78 0.0917 1209 C 14.0810 23.5250 13.9060 C.2 78 PHE78 0.2190 1210 O 12.9910 23.3370 13.4320 O.2 78 PHE78 -0.2778 1211 CB 14.8611 21.4884 15.2729 C.3 78 PHE78 -0.0036 1212 CG 14.9158 22.1807 16.6119 C.ar 78 PHE78 -0.0454 1213 CD1 13.8055 22.8738 17.0884 C.ar 78 PHE78 -0.0585 1214 CD2 16.0182 22.0193 17.4478 C.ar 78 PHE78 -0.0585 1215 CE1 13.7856 23.3764 18.3819 C.ar 78 PHE78 -0.0615 1216 CE2 16.0006 22.5184 18.7443 C.ar 78 PHE78 -0.0615 1217 CZ 14.8775 23.1841 19.2148 C.ar 78 PHE78 -0.0617 1218 H 17.0920 22.8120 14.9290 H 78 PHE78 0.1312 1219 HA 15.0658 21.7746 13.1693 H 78 PHE78 0.0560 1220 HB1 15.5668 20.6565 15.2734 H 78 PHE78 0.0333 1221 HB2 13.8759 21.0315 15.1632 H 78 PHE78 0.0333 1222 HD1 12.9217 22.9682 16.4727 H 78 PHE78 0.0620 1223 HD2 16.8695 21.4424 17.1156 H 78 PHE78 0.0620 1224 HE1 12.9004 23.8713 18.7554 H 78 PHE78 0.0618 1225 HE2 16.8400 22.3470 19.4040 H 78 PHE78 0.0618 1226 HZ 14.8377 23.5281 20.2358 H 78 PHE78 0.0618 1227 N 14.4240 24.7380 14.3400 N.am 79 PHE79 -0.2453 1228 CA 13.5130 25.8630 14.1340 C.3 79 PHE79 0.0917 1229 C 13.4570 26.2610 12.6540 C.2 79 PHE79 0.2190 1230 O 12.3650 26.4600 12.0730 O.2 79 PHE79 -0.2778 1231 CB 13.9425 27.0350 15.0256 C.3 79 PHE79 -0.0036 1232 CG 12.9809 28.1894 14.9606 C.ar 79 PHE79 -0.0454 1233 CD1 11.8227 28.1748 15.7312 C.ar 79 PHE79 -0.0585 1234 CD2 13.2058 29.2611 14.1007 C.ar 79 PHE79 -0.0585 1235 CE1 10.9157 29.2239 15.6660 C.ar 79 PHE79 -0.0615 1236 CE2 12.2913 30.3020 14.0239 C.ar 79 PHE79 -0.0615 1237 CZ 11.1529 30.2924 14.8149 C.ar 79 PHE79 -0.0617 1238 H 15.3170 24.8800 14.8130 H 79 PHE79 0.1312 1239 HA 12.5119 25.5341 14.4269 H 79 PHE79 0.0560 1240 HB1 14.9378 27.3809 14.7565 H 79 PHE79 0.0333 1241 HB2 13.9919 26.6924 16.0588 H 79 PHE79 0.0333 1242 HD1 11.6068 27.3329 16.3731 H 79 PHE79 0.0620 1243 HD2 14.0661 29.2775 13.4496 H 79 PHE79 0.0620 1244 HE1 10.0116 29.1973 16.2575 H 79 PHE79 0.0618 1245 HE2 12.4470 31.1139 13.3297 H 79 PHE79 0.0618 1246 HZ 10.4370 31.0993 14.7409 H 79 PHE79 0.0618 1247 N 14.6130 26.2940 12.0220 N.am 80 VAL80 -0.2454 1248 CA 14.6840 26.4530 10.5640 C.3 80 VAL80 0.0901 1249 C 13.9120 25.4290 9.7770 C.2 80 VAL80 0.2189 1250 O 13.1930 25.7750 8.8330 O.2 80 VAL80 -0.2778 1251 CB 16.1646 26.5344 10.1137 C.3 80 VAL80 -0.0227 1252 CG1 16.3395 26.5731 8.5841 C.3 80 VAL80 -0.0608 1253 CG2 16.8643 27.7591 10.7287 C.3 80 VAL80 -0.0608 1254 H 15.4770 26.2070 12.5570 H 80 VAL80 0.1312 1255 HA 14.2028 27.4090 10.3475 H 80 VAL80 0.0560 1256 HB 16.6696 25.6331 10.4612 H 80 VAL80 0.0315 1257 HG11 17.3918 26.6546 8.3115 H 80 VAL80 0.0233 1258 HG12 15.8125 27.4212 8.1459 H 80 VAL80 0.0233 1259 HG13 15.9641 25.6652 8.1103 H 80 VAL80 0.0233 1260 HG21 17.9195 27.7836 10.4525 H 80 VAL80 0.0233 1261 HG22 16.8011 27.7611 11.8149 H 80 VAL80 0.0233 1262 HG23 16.4106 28.6843 10.3703 H 80 VAL80 0.0233 1263 N 14.0530 24.1730 10.1670 N.am 81 LEU81 -0.2456 1264 CA 13.5250 23.0190 9.4510 C.3 81 LEU81 0.0880 1265 C 12.0510 22.7390 9.8190 C.2 81 LEU81 0.2184 1266 O 11.4220 21.8940 9.1850 O.2 81 LEU81 -0.2778 1267 CB 14.3491 21.7725 9.8166 C.3 81 LEU81 -0.0266 1268 CG 15.8074 21.7767 9.3291 C.3 81 LEU81 -0.0449 1269 CD1 16.5316 20.5519 9.9034 C.3 81 LEU81 -0.0626 1270 CD2 15.8968 21.7838 7.7971 C.3 81 LEU81 -0.0626 1271 H 14.5680 24.0000 11.0300 H 81 LEU81 0.1312 1272 HA 13.5684 23.2251 8.3811 H 81 LEU81 0.0557 1273 HB1 13.8642 20.8818 9.4123 H 81 LEU81 0.0287 1274 HB2 14.3351 21.6512 10.9006 H 81 LEU81 0.0287 1275 HG 16.3138 22.6699 9.6940 H 81 LEU81 0.0296 1276 HD11 17.5274 20.4408 9.4824 H 81 LEU81 0.0232 1277 HD12 15.9874 19.6345 9.6770 H 81 LEU81 0.0232 1278 HD13 16.6280 20.6244 10.9871 H 81 LEU81 0.0232 1279 HD21 16.9329 21.7146 7.4653 H 81 LEU81 0.0232 1280 HD22 15.4844 22.7001 7.3760 H 81 LEU81 0.0232 1281 HD23 15.3547 20.9414 7.3666 H 81 LEU81 0.0232 1282 N 11.5430 23.4440 10.8250 N.am 82 GLY82 -0.2501 1283 CA 10.1820 23.2990 11.3510 C.3 82 GLY82 0.0585 1284 C 9.2990 24.3900 10.7250 C.2 82 GLY82 0.1344 1285 O 8.0720 24.3960 11.0110 O.2 82 GLY82 -0.2997 1286 H 12.1460 24.1390 11.2650 H 82 GLY82 0.1308 1287 HA1 10.2300 23.4280 12.4318 H 82 GLY82 0.0504 1288 HA2 9.7950 22.3063 11.1156 H 82 GLY82 0.0504 1289 H 9.7270 25.1460 10.0450 H 82 GLY82 0.1040 1290 ZN 18.5880 28.0720 14.9330 Zn 83 ZN83 2.0000 @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 11 1 11 10 17 1 12 11 14 1 13 11 12 1 14 11 18 1 15 12 13 2 16 12 24 am 17 14 16 1 18 14 15 1 19 14 19 1 20 15 20 1 21 16 21 1 22 16 22 1 23 16 23 1 24 24 25 1 25 24 32 1 26 25 28 1 27 25 26 1 28 25 33 1 29 26 27 2 30 26 43 am 31 28 30 1 32 28 29 1 33 28 34 1 34 29 31 1 35 29 35 1 36 29 36 1 37 30 37 1 38 30 38 1 39 30 39 1 40 31 40 1 41 31 41 1 42 31 42 1 43 43 44 1 44 43 55 1 45 44 47 1 46 44 45 1 47 44 56 1 48 45 46 2 49 45 64 am 50 47 48 1 51 47 57 1 52 47 58 1 53 48 49 ar 54 48 50 ar 55 49 51 ar 56 49 59 1 57 50 52 ar 58 50 60 1 59 51 53 ar 60 51 61 1 61 52 53 ar 62 52 62 1 63 53 54 1 64 54 63 1 65 64 70 1 66 64 65 1 67 65 68 1 68 65 66 1 69 65 71 1 70 66 67 2 71 66 78 am 72 68 69 1 73 68 72 1 74 68 73 1 75 69 70 1 76 69 74 1 77 69 75 1 78 70 76 1 79 70 77 1 80 78 79 1 81 78 89 1 82 79 82 1 83 79 80 1 84 79 90 1 85 80 81 2 86 80 102 am 87 82 83 1 88 82 91 1 89 82 92 1 90 83 84 1 91 83 93 1 92 83 94 1 93 84 85 1 94 84 95 1 95 84 96 1 96 85 86 ar 97 85 97 1 98 86 87 ar 99 86 88 ar 100 87 98 1 101 87 99 1 102 88 100 1 103 88 101 1 104 102 103 1 105 102 110 1 106 103 106 1 107 103 104 1 108 103 111 1 109 104 105 2 110 104 116 am 111 106 107 1 112 106 112 1 113 106 113 1 114 107 108 2 115 107 109 am 116 109 114 1 117 109 115 1 118 116 122 1 119 116 117 1 120 117 120 1 121 117 118 1 122 117 123 1 123 118 119 2 124 118 130 am 125 120 121 1 126 120 124 1 127 120 125 1 128 121 122 1 129 121 126 1 130 121 127 1 131 122 128 1 132 122 129 1 133 130 131 1 134 130 135 1 135 131 134 1 136 131 132 1 137 131 136 1 138 132 133 2 139 132 140 am 140 134 137 1 141 134 138 1 142 134 139 1 143 140 141 1 144 140 148 1 145 141 144 1 146 141 142 1 147 141 149 1 148 142 143 2 149 142 157 am 150 144 145 1 151 144 150 1 152 144 151 1 153 145 146 1 154 145 152 1 155 145 153 1 156 146 147 1 157 147 154 1 158 147 155 1 159 147 156 1 160 157 158 1 161 157 169 1 162 158 161 1 163 158 159 1 164 158 170 1 165 159 160 2 166 159 178 am 167 161 162 1 168 161 171 1 169 161 172 1 170 162 163 ar 171 162 164 ar 172 163 165 ar 173 163 173 1 174 164 166 ar 175 164 174 1 176 165 167 ar 177 165 175 1 178 166 167 ar 179 166 176 1 180 167 168 1 181 168 177 1 182 178 179 1 183 178 184 1 184 179 182 1 185 179 180 1 186 179 185 1 187 180 181 2 188 180 189 am 189 182 183 1 190 182 186 1 191 182 187 1 192 183 188 1 193 189 190 1 194 189 198 1 195 190 193 1 196 190 191 1 197 190 199 1 198 191 192 2 199 191 204 am 200 193 194 1 201 193 200 1 202 193 201 1 203 194 195 1 204 194 202 1 205 194 203 1 206 195 196 ar 207 195 197 ar 208 204 205 1 209 204 213 1 210 205 208 1 211 205 206 1 212 205 214 1 213 206 207 2 214 206 219 am 215 208 209 1 216 208 215 1 217 208 216 1 218 209 210 1 219 209 217 1 220 209 218 1 221 210 211 ar 222 210 212 ar 223 219 220 1 224 219 224 1 225 220 223 1 226 220 221 1 227 220 225 1 228 221 222 2 229 221 229 am 230 223 226 1 231 223 227 1 232 223 228 1 233 229 230 1 234 229 240 1 235 230 233 1 236 230 231 1 237 230 241 1 238 231 232 2 239 231 253 am 240 233 234 1 241 233 242 1 242 233 243 1 243 234 235 1 244 234 244 1 245 234 245 1 246 235 236 1 247 235 246 1 248 235 247 1 249 236 237 ar 250 236 248 1 251 237 238 ar 252 237 239 ar 253 238 249 1 254 238 250 1 255 239 251 1 256 239 252 1 257 253 254 1 258 253 261 1 259 254 257 1 260 254 255 1 261 254 262 1 262 255 256 2 263 255 272 am 264 257 258 1 265 257 263 1 266 257 264 1 267 258 259 1 268 258 260 1 269 258 265 1 270 259 266 1 271 259 267 1 272 259 268 1 273 260 269 1 274 260 270 1 275 260 271 1 276 272 273 1 277 272 281 1 278 273 276 1 279 273 274 1 280 273 282 1 281 274 275 2 282 274 294 am 283 276 277 1 284 276 283 1 285 276 284 1 286 277 278 1 287 277 285 1 288 277 286 1 289 278 279 1 290 278 287 1 291 278 288 1 292 279 280 1 293 279 289 1 294 279 290 1 295 280 291 1 296 280 292 1 297 280 293 1 298 294 295 1 299 294 300 1 300 295 298 1 301 295 296 1 302 295 301 1 303 296 297 2 304 296 305 am 305 298 299 1 306 298 302 1 307 298 303 1 308 299 304 1 309 305 306 1 310 305 316 1 311 306 309 1 312 306 307 1 313 306 317 1 314 307 308 2 315 307 325 am 316 309 310 1 317 309 318 1 318 309 319 1 319 310 311 ar 320 310 312 ar 321 311 313 ar 322 311 320 1 323 312 314 ar 324 312 321 1 325 313 315 ar 326 313 322 1 327 314 315 ar 328 314 323 1 329 315 324 1 330 325 326 1 331 325 334 1 332 326 329 1 333 326 327 1 334 326 335 1 335 327 328 2 336 327 342 am 337 329 330 1 338 329 336 1 339 329 337 1 340 330 331 1 341 330 338 1 342 330 339 1 343 331 332 2 344 331 333 am 345 333 340 1 346 333 341 1 347 342 343 1 348 342 350 1 349 343 346 1 350 343 344 1 351 343 351 1 352 344 345 2 353 344 356 am 354 346 347 1 355 346 352 1 356 346 353 1 357 347 348 2 358 347 349 am 359 349 354 1 360 349 355 1 361 356 357 1 362 356 370 1 363 357 360 1 364 357 358 1 365 357 371 1 366 358 359 2 367 358 380 am 368 360 361 1 369 360 372 1 370 360 373 1 371 361 362 ar 372 361 363 ar 373 362 364 ar 374 362 374 1 375 363 365 ar 376 363 366 ar 377 364 365 ar 378 364 375 1 379 365 367 ar 380 366 368 ar 381 366 376 1 382 367 369 ar 383 367 377 1 384 368 369 ar 385 368 378 1 386 369 379 1 387 380 386 1 388 380 381 1 389 381 384 1 390 381 382 1 391 381 387 1 392 382 383 2 393 382 394 am 394 384 385 1 395 384 388 1 396 384 389 1 397 385 386 1 398 385 390 1 399 385 391 1 400 386 392 1 401 386 393 1 402 394 395 1 403 394 402 1 404 395 398 1 405 395 396 1 406 395 403 1 407 396 397 2 408 396 406 am 409 398 399 1 410 398 404 1 411 398 405 1 412 399 400 ar 413 399 401 ar 414 406 407 1 415 406 418 1 416 407 410 1 417 407 408 1 418 407 419 1 419 408 409 2 420 408 427 am 421 410 411 1 422 410 420 1 423 410 421 1 424 411 412 ar 425 411 413 ar 426 412 414 ar 427 412 422 1 428 413 415 ar 429 413 423 1 430 414 416 ar 431 414 424 1 432 415 416 ar 433 415 425 1 434 416 417 1 435 417 426 1 436 427 428 1 437 427 432 1 438 428 431 1 439 428 429 1 440 428 433 1 441 429 430 2 442 429 437 am 443 431 434 1 444 431 435 1 445 431 436 1 446 437 438 1 447 437 447 1 448 438 441 1 449 438 439 1 450 438 448 1 451 439 440 2 452 439 454 am 453 441 442 1 454 441 449 1 455 441 450 1 456 442 443 ar 457 442 444 ar 458 443 445 ar 459 444 446 ar 460 444 451 1 461 445 446 ar 462 445 452 1 463 446 453 1 464 454 455 1 465 454 462 1 466 455 458 1 467 455 456 1 468 455 463 1 469 456 457 2 470 456 473 am 471 458 459 1 472 458 464 1 473 458 465 1 474 459 460 1 475 459 461 1 476 459 466 1 477 460 467 1 478 460 468 1 479 460 469 1 480 461 470 1 481 461 471 1 482 461 472 1 483 473 474 1 484 473 480 1 485 474 477 1 486 474 475 1 487 474 481 1 488 475 476 2 489 475 487 am 490 477 479 1 491 477 478 1 492 477 482 1 493 478 483 1 494 479 484 1 495 479 485 1 496 479 486 1 497 487 493 1 498 487 488 1 499 488 491 1 500 488 489 1 501 488 494 1 502 489 490 2 503 489 501 am 504 491 492 1 505 491 495 1 506 491 496 1 507 492 493 1 508 492 497 1 509 492 498 1 510 493 499 1 511 493 500 1 512 501 502 1 513 501 512 1 514 502 505 1 515 502 503 1 516 502 513 1 517 503 504 2 518 503 525 am 519 505 506 1 520 505 514 1 521 505 515 1 522 506 507 1 523 506 516 1 524 506 517 1 525 507 508 1 526 507 518 1 527 507 519 1 528 508 509 ar 529 508 520 1 530 509 510 ar 531 509 511 ar 532 510 521 1 533 510 522 1 534 511 523 1 535 511 524 1 536 525 526 1 537 525 534 1 538 526 529 1 539 526 527 1 540 526 535 1 541 527 528 2 542 527 540 am 543 529 530 1 544 529 536 1 545 529 537 1 546 530 531 1 547 530 538 1 548 530 539 1 549 531 532 ar 550 531 533 ar 551 540 541 1 552 540 548 1 553 541 544 1 554 541 542 1 555 541 549 1 556 542 543 2 557 542 559 am 558 544 545 1 559 544 550 1 560 544 551 1 561 545 546 1 562 545 547 1 563 545 552 1 564 546 553 1 565 546 554 1 566 546 555 1 567 547 556 1 568 547 557 1 569 547 558 1 570 559 560 1 571 559 564 1 572 560 563 1 573 560 561 1 574 560 565 1 575 561 562 2 576 561 569 am 577 563 566 1 578 563 567 1 579 563 568 1 580 569 570 1 581 569 575 1 582 570 573 1 583 570 571 1 584 570 576 1 585 571 572 2 586 571 580 am 587 573 574 1 588 573 577 1 589 573 578 1 590 574 579 1 591 580 581 1 592 580 585 1 593 581 584 1 594 581 582 1 595 581 586 1 596 582 583 2 597 582 590 am 598 584 587 1 599 584 588 1 600 584 589 1 601 590 591 1 602 590 594 1 603 591 592 1 604 591 595 1 605 591 596 1 606 592 593 2 607 592 597 am 608 597 598 1 609 597 605 1 610 598 601 1 611 598 599 1 612 598 606 1 613 599 600 2 614 599 616 am 615 601 602 1 616 601 607 1 617 601 608 1 618 602 603 1 619 602 604 1 620 602 609 1 621 603 610 1 622 603 611 1 623 603 612 1 624 604 613 1 625 604 614 1 626 604 615 1 627 616 617 1 628 616 628 1 629 617 620 1 630 617 618 1 631 617 629 1 632 618 619 2 633 618 637 am 634 620 621 1 635 620 630 1 636 620 631 1 637 621 622 ar 638 621 623 ar 639 622 624 ar 640 622 632 1 641 623 625 ar 642 623 633 1 643 624 626 ar 644 624 634 1 645 625 626 ar 646 625 635 1 647 626 627 1 648 627 636 1 649 637 638 1 650 637 649 1 651 638 641 1 652 638 639 1 653 638 650 1 654 639 640 2 655 639 658 am 656 641 642 1 657 641 651 1 658 641 652 1 659 642 643 ar 660 642 644 ar 661 643 645 ar 662 643 653 1 663 644 646 ar 664 644 654 1 665 645 647 ar 666 645 655 1 667 646 647 ar 668 646 656 1 669 647 648 1 670 648 657 1 671 658 659 1 672 658 665 1 673 659 662 1 674 659 660 1 675 659 666 1 676 660 661 2 677 660 672 am 678 662 664 1 679 662 663 1 680 662 667 1 681 663 668 1 682 664 669 1 683 664 670 1 684 664 671 1 685 672 673 1 686 672 676 1 687 673 674 1 688 673 677 1 689 673 678 1 690 674 675 2 691 674 679 am 692 679 680 1 693 679 687 1 694 680 683 1 695 680 681 1 696 680 688 1 697 681 682 2 698 681 698 am 699 683 685 1 700 683 684 1 701 683 689 1 702 684 686 1 703 684 690 1 704 684 691 1 705 685 692 1 706 685 693 1 707 685 694 1 708 686 695 1 709 686 696 1 710 686 697 1 711 698 699 1 712 698 702 1 713 699 700 1 714 699 703 1 715 699 704 1 716 700 701 2 717 700 705 am 718 705 706 1 719 705 713 1 720 706 709 1 721 706 707 1 722 706 714 1 723 707 708 2 724 707 717 am 725 709 710 1 726 709 715 1 727 709 716 1 728 710 711 ar 729 710 712 ar 730 717 718 1 731 717 726 1 732 718 721 1 733 718 719 1 734 718 727 1 735 719 720 2 736 719 734 am 737 721 722 1 738 721 728 1 739 721 729 1 740 722 723 1 741 722 730 1 742 722 731 1 743 723 724 2 744 723 725 am 745 725 732 1 746 725 733 1 747 734 735 1 748 734 741 1 749 735 738 1 750 735 736 1 751 735 742 1 752 736 737 2 753 736 750 am 754 738 739 1 755 738 740 1 756 738 743 1 757 739 744 1 758 739 745 1 759 739 746 1 760 740 747 1 761 740 748 1 762 740 749 1 763 750 751 1 764 750 759 1 765 751 754 1 766 751 752 1 767 751 760 1 768 752 753 2 769 752 767 am 770 754 755 1 771 754 761 1 772 754 762 1 773 755 756 1 774 755 763 1 775 755 764 1 776 756 757 2 777 756 758 am 778 758 765 1 779 758 766 1 780 767 768 1 781 767 773 1 782 768 771 1 783 768 769 1 784 768 774 1 785 769 770 2 786 769 778 am 787 771 772 1 788 771 775 1 789 771 776 1 790 772 777 1 791 778 779 1 792 778 789 1 793 779 782 1 794 779 780 1 795 779 790 1 796 780 781 2 797 780 798 am 798 782 783 1 799 782 791 1 800 782 792 1 801 783 784 ar 802 783 785 ar 803 784 786 ar 804 784 793 1 805 785 787 ar 806 785 794 1 807 786 788 ar 808 786 795 1 809 787 788 ar 810 787 796 1 811 788 797 1 812 798 799 1 813 798 803 1 814 799 802 1 815 799 800 1 816 799 804 1 817 800 801 2 818 800 808 am 819 802 805 1 820 802 806 1 821 802 807 1 822 808 809 1 823 808 814 1 824 809 812 1 825 809 810 1 826 809 815 1 827 810 811 2 828 810 819 am 829 812 813 1 830 812 816 1 831 812 817 1 832 813 818 1 833 819 820 1 834 819 823 1 835 820 821 1 836 820 824 1 837 820 825 1 838 821 822 2 839 821 826 am 840 826 827 1 841 826 830 1 842 827 828 1 843 827 831 1 844 827 832 1 845 828 829 2 846 828 833 am 847 833 834 1 848 833 842 1 849 834 837 1 850 834 835 1 851 834 843 1 852 835 836 2 853 835 855 am 854 837 838 1 855 837 844 1 856 837 845 1 857 838 839 1 858 838 846 1 859 838 847 1 860 839 840 1 861 839 848 1 862 839 849 1 863 840 841 1 864 840 850 1 865 840 851 1 866 841 852 1 867 841 853 1 868 841 854 1 869 855 856 1 870 855 863 1 871 856 859 1 872 856 857 1 873 856 864 1 874 857 858 2 875 857 874 am 876 859 860 1 877 859 865 1 878 859 866 1 879 860 861 1 880 860 862 1 881 860 867 1 882 861 868 1 883 861 869 1 884 861 870 1 885 862 871 1 886 862 872 1 887 862 873 1 888 874 875 1 889 874 883 1 890 875 878 1 891 875 876 1 892 875 884 1 893 876 877 2 894 876 896 am 895 878 879 1 896 878 885 1 897 878 886 1 898 879 880 1 899 879 887 1 900 879 888 1 901 880 881 1 902 880 889 1 903 880 890 1 904 881 882 1 905 881 891 1 906 881 892 1 907 882 893 1 908 882 894 1 909 882 895 1 910 896 897 1 911 896 904 1 912 897 900 1 913 897 898 1 914 897 905 1 915 898 899 2 916 898 910 am 917 900 901 1 918 900 906 1 919 900 907 1 920 901 902 2 921 901 903 am 922 903 908 1 923 903 909 1 924 910 911 1 925 910 924 1 926 911 914 1 927 911 912 1 928 911 925 1 929 912 913 2 930 912 934 am 931 914 915 1 932 914 926 1 933 914 927 1 934 915 916 ar 935 915 917 ar 936 916 918 ar 937 916 928 1 938 917 919 ar 939 917 920 ar 940 918 919 ar 941 918 929 1 942 919 921 ar 943 920 922 ar 944 920 930 1 945 921 923 ar 946 921 931 1 947 922 923 ar 948 922 932 1 949 923 933 1 950 934 935 1 951 934 943 1 952 935 938 1 953 935 936 1 954 935 944 1 955 936 937 2 956 936 949 am 957 938 939 1 958 938 945 1 959 938 946 1 960 939 940 1 961 939 947 1 962 939 948 1 963 940 941 ar 964 940 942 ar 965 949 955 1 966 949 950 1 967 950 953 1 968 950 951 1 969 950 956 1 970 951 952 2 971 951 963 am 972 953 954 1 973 953 957 1 974 953 958 1 975 954 955 1 976 954 959 1 977 954 960 1 978 955 961 1 979 955 962 1 980 963 964 1 981 963 967 1 982 964 965 1 983 964 968 1 984 964 969 1 985 965 966 2 986 965 970 am 987 970 971 1 988 970 978 1 989 971 974 1 990 971 972 1 991 971 979 1 992 972 973 2 993 972 982 am 994 974 975 1 995 974 980 1 996 974 981 1 997 975 976 ar 998 975 977 ar 999 982 983 1 1000 982 993 1 1001 983 986 1 1002 983 984 1 1003 983 994 1 1004 984 985 2 1005 984 1006 am 1006 986 987 1 1007 986 995 1 1008 986 996 1 1009 987 988 1 1010 987 997 1 1011 987 998 1 1012 988 989 1 1013 988 999 1 1014 988 1000 1 1015 989 990 ar 1016 989 1001 1 1017 990 991 ar 1018 990 992 ar 1019 991 1002 1 1020 991 1003 1 1021 992 1004 1 1022 992 1005 1 1023 1006 1007 1 1024 1006 1011 1 1025 1007 1010 1 1026 1007 1008 1 1027 1007 1012 1 1028 1008 1009 2 1029 1008 1016 am 1030 1010 1013 1 1031 1010 1014 1 1032 1010 1015 1 1033 1016 1017 1 1034 1016 1030 1 1035 1017 1020 1 1036 1017 1018 1 1037 1017 1031 1 1038 1018 1019 2 1039 1018 1040 am 1040 1020 1021 1 1041 1020 1032 1 1042 1020 1033 1 1043 1021 1022 ar 1044 1021 1023 ar 1045 1022 1024 ar 1046 1022 1034 1 1047 1023 1025 ar 1048 1023 1026 ar 1049 1024 1025 ar 1050 1024 1035 1 1051 1025 1027 ar 1052 1026 1028 ar 1053 1026 1036 1 1054 1027 1029 ar 1055 1027 1037 1 1056 1028 1029 ar 1057 1028 1038 1 1058 1029 1039 1 1059 1040 1041 1 1060 1040 1046 1 1061 1041 1044 1 1062 1041 1042 1 1063 1041 1047 1 1064 1042 1043 2 1065 1042 1051 am 1066 1044 1045 1 1067 1044 1048 1 1068 1044 1049 1 1069 1045 1050 1 1070 1051 1052 1 1071 1051 1060 1 1072 1052 1055 1 1073 1052 1053 1 1074 1052 1061 1 1075 1053 1054 2 1076 1053 1066 am 1077 1055 1056 1 1078 1055 1062 1 1079 1055 1063 1 1080 1056 1057 1 1081 1056 1064 1 1082 1056 1065 1 1083 1057 1058 ar 1084 1057 1059 ar 1085 1066 1067 1 1086 1066 1077 1 1087 1067 1070 1 1088 1067 1068 1 1089 1067 1078 1 1090 1068 1069 2 1091 1068 1083 am 1092 1070 1071 1 1093 1070 1079 1 1094 1070 1080 1 1095 1071 1072 ar 1096 1071 1074 ar 1097 1072 1075 ar 1098 1072 1073 1 1099 1074 1076 ar 1100 1074 1081 1 1101 1075 1076 ar 1102 1075 1082 1 1103 1083 1084 1 1104 1083 1094 1 1105 1084 1087 1 1106 1084 1085 1 1107 1084 1095 1 1108 1085 1086 2 1109 1085 1107 am 1110 1087 1088 1 1111 1087 1096 1 1112 1087 1097 1 1113 1088 1089 1 1114 1088 1098 1 1115 1088 1099 1 1116 1089 1090 1 1117 1089 1100 1 1118 1089 1101 1 1119 1090 1091 ar 1120 1090 1102 1 1121 1091 1092 ar 1122 1091 1093 ar 1123 1092 1103 1 1124 1092 1104 1 1125 1093 1105 1 1126 1093 1106 1 1127 1107 1108 1 1128 1107 1118 1 1129 1108 1111 1 1130 1108 1109 1 1131 1108 1119 1 1132 1109 1110 2 1133 1109 1131 am 1134 1111 1112 1 1135 1111 1120 1 1136 1111 1121 1 1137 1112 1113 1 1138 1112 1122 1 1139 1112 1123 1 1140 1113 1114 1 1141 1113 1124 1 1142 1113 1125 1 1143 1114 1115 ar 1144 1114 1126 1 1145 1115 1116 ar 1146 1115 1117 ar 1147 1116 1127 1 1148 1116 1128 1 1149 1117 1129 1 1150 1117 1130 1 1151 1131 1132 1 1152 1131 1141 1 1153 1132 1135 1 1154 1132 1133 1 1155 1132 1142 1 1156 1133 1134 2 1157 1133 1148 am 1158 1135 1136 1 1159 1135 1143 1 1160 1135 1144 1 1161 1136 1137 ar 1162 1136 1138 ar 1163 1137 1139 ar 1164 1138 1140 ar 1165 1138 1145 1 1166 1139 1140 ar 1167 1139 1146 1 1168 1140 1147 1 1169 1148 1149 1 1170 1148 1159 1 1171 1149 1152 1 1172 1149 1150 1 1173 1149 1160 1 1174 1150 1151 2 1175 1150 1168 am 1176 1152 1153 1 1177 1152 1161 1 1178 1152 1162 1 1179 1153 1154 ar 1180 1153 1155 ar 1181 1154 1156 ar 1182 1154 1163 1 1183 1155 1157 ar 1184 1155 1164 1 1185 1156 1158 ar 1186 1156 1165 1 1187 1157 1158 ar 1188 1157 1166 1 1189 1158 1167 1 1190 1168 1174 1 1191 1168 1169 1 1192 1169 1172 1 1193 1169 1170 1 1194 1169 1175 1 1195 1170 1171 2 1196 1170 1182 am 1197 1172 1173 1 1198 1172 1176 1 1199 1172 1177 1 1200 1173 1174 1 1201 1173 1178 1 1202 1173 1179 1 1203 1174 1180 1 1204 1174 1181 1 1205 1182 1183 1 1206 1182 1190 1 1207 1183 1186 1 1208 1183 1184 1 1209 1183 1191 1 1210 1184 1185 2 1211 1184 1196 am 1212 1186 1187 1 1213 1186 1192 1 1214 1186 1193 1 1215 1187 1188 2 1216 1187 1189 am 1217 1189 1194 1 1218 1189 1195 1 1219 1196 1197 1 1220 1196 1202 1 1221 1197 1200 1 1222 1197 1198 1 1223 1197 1203 1 1224 1198 1199 2 1225 1198 1207 am 1226 1200 1201 1 1227 1200 1204 1 1228 1200 1205 1 1229 1201 1206 1 1230 1207 1208 1 1231 1207 1218 1 1232 1208 1211 1 1233 1208 1209 1 1234 1208 1219 1 1235 1209 1210 2 1236 1209 1227 am 1237 1211 1212 1 1238 1211 1220 1 1239 1211 1221 1 1240 1212 1213 ar 1241 1212 1214 ar 1242 1213 1215 ar 1243 1213 1222 1 1244 1214 1216 ar 1245 1214 1223 1 1246 1215 1217 ar 1247 1215 1224 1 1248 1216 1217 ar 1249 1216 1225 1 1250 1217 1226 1 1251 1227 1228 1 1252 1227 1238 1 1253 1228 1231 1 1254 1228 1229 1 1255 1228 1239 1 1256 1229 1230 2 1257 1229 1247 am 1258 1231 1232 1 1259 1231 1240 1 1260 1231 1241 1 1261 1232 1233 ar 1262 1232 1234 ar 1263 1233 1235 ar 1264 1233 1242 1 1265 1234 1236 ar 1266 1234 1243 1 1267 1235 1237 ar 1268 1235 1244 1 1269 1236 1237 ar 1270 1236 1245 1 1271 1237 1246 1 1272 1247 1248 1 1273 1247 1254 1 1274 1248 1251 1 1275 1248 1249 1 1276 1248 1255 1 1277 1249 1250 2 1278 1249 1263 am 1279 1251 1252 1 1280 1251 1253 1 1281 1251 1256 1 1282 1252 1257 1 1283 1252 1258 1 1284 1252 1259 1 1285 1253 1260 1 1286 1253 1261 1 1287 1253 1262 1 1288 1263 1264 1 1289 1263 1271 1 1290 1264 1267 1 1291 1264 1265 1 1292 1264 1272 1 1293 1265 1282 am 1294 1265 1266 2 1295 1267 1268 1 1296 1267 1273 1 1297 1267 1274 1 1298 1268 1269 1 1299 1268 1270 1 1300 1268 1275 1 1301 1269 1276 1 1302 1269 1277 1 1303 1269 1278 1 1304 1270 1279 1 1305 1270 1280 1 1306 1270 1281 1 1307 1282 1283 1 1308 1282 1286 1 1309 1283 1284 1 1310 1283 1287 1 1311 1283 1288 1 1312 1284 1285 2 1313 1284 1289 1 @SUBSTRUCTURE 1 GLY1 2 RESIDUE 1 A GLY 1 ROOT 2 THR2 11 RESIDUE 1 A THR 2 3 ILE3 25 RESIDUE 1 A ILE 2 4 TYR4 44 RESIDUE 1 A TYR 2 5 PRO5 65 RESIDUE 1 A PRO 2 6 ARG6 79 RESIDUE 1 A ARG 2 7 ASN7 103 RESIDUE 1 A ASN 2 8 PRO8 117 RESIDUE 1 A PRO 2 9 ALA9 131 RESIDUE 1 A ALA 2 10 MET10 141 RESIDUE 1 A MET 2 11 TYR11 158 RESIDUE 1 A TYR 2 12 SER12 179 RESIDUE 1 A SER 2 13 GLU13 190 RESIDUE 1 A GLU 2 14 GLU14 205 RESIDUE 1 A GLU 2 15 ALA15 220 RESIDUE 1 A ALA 2 16 ARG16 230 RESIDUE 1 A ARG 2 17 LEU17 254 RESIDUE 1 A LEU 2 18 LYS18 273 RESIDUE 1 A LYS 2 19 SER19 295 RESIDUE 1 A SER 2 20 PHE20 306 RESIDUE 1 A PHE 2 21 GLN21 326 RESIDUE 1 A GLN 2 22 ASN22 343 RESIDUE 1 A ASN 2 23 TRP23 357 RESIDUE 1 A TRP 2 24 PRO24 381 RESIDUE 1 A PRO 2 25 ASP25 395 RESIDUE 1 A ASP 2 26 TYR26 407 RESIDUE 1 A TYR 2 27 ALA27 428 RESIDUE 1 A ALA 2 28 HIS28 438 RESIDUE 1 A HIS 2 29 LEU29 455 RESIDUE 1 A LEU 2 30 THR30 474 RESIDUE 1 A THR 2 31 PRO31 488 RESIDUE 1 A PRO 2 32 ARG32 502 RESIDUE 1 A ARG 2 33 GLU33 526 RESIDUE 1 A GLU 2 34 LEU34 541 RESIDUE 1 A LEU 2 35 ALA35 560 RESIDUE 1 A ALA 2 36 SER36 570 RESIDUE 1 A SER 2 37 ALA37 581 RESIDUE 1 A ALA 2 38 GLY38 591 RESIDUE 1 A GLY 2 39 LEU39 598 RESIDUE 1 A LEU 2 40 TYR40 617 RESIDUE 1 A TYR 2 41 TYR41 638 RESIDUE 1 A TYR 2 42 THR42 659 RESIDUE 1 A THR 2 43 GLY43 673 RESIDUE 1 A GLY 2 44 ILE44 680 RESIDUE 1 A ILE 2 45 GLY45 699 RESIDUE 1 A GLY 2 46 ASP46 706 RESIDUE 1 A ASP 2 47 GLN47 718 RESIDUE 1 A GLN 2 48 VAL48 735 RESIDUE 1 A VAL 2 49 GLN49 751 RESIDUE 1 A GLN 2 50 CYS50 768 RESIDUE 1 A CYS 2 51 PHE51 779 RESIDUE 1 A PHE 2 52 ALA52 799 RESIDUE 1 A ALA 2 53 CYS53 809 RESIDUE 1 A CYS 2 54 GLY54 820 RESIDUE 1 A GLY 2 55 GLY55 827 RESIDUE 1 A GLY 2 56 LYS56 834 RESIDUE 1 A LYS 2 57 LEU57 856 RESIDUE 1 A LEU 2 58 LYS58 875 RESIDUE 1 A LYS 2 59 ASN59 897 RESIDUE 1 A ASN 2 60 TRP60 911 RESIDUE 1 A TRP 2 61 GLU61 935 RESIDUE 1 A GLU 2 62 PRO62 950 RESIDUE 1 A PRO 2 63 GLY63 964 RESIDUE 1 A GLY 2 64 ASP64 971 RESIDUE 1 A ASP 2 65 ARG65 983 RESIDUE 1 A ARG 2 66 ALA66 1007 RESIDUE 1 A ALA 2 67 TRP67 1017 RESIDUE 1 A TRP 2 68 SER68 1041 RESIDUE 1 A SER 2 69 GLU69 1052 RESIDUE 1 A GLU 2 70 HIS70 1067 RESIDUE 1 A HIS 2 71 ARG71 1084 RESIDUE 1 A ARG 2 72 ARG72 1108 RESIDUE 1 A ARG 2 73 HIS73 1132 RESIDUE 1 A HIS 2 74 PHE74 1149 RESIDUE 1 A PHE 2 75 PRO75 1169 RESIDUE 1 A PRO 2 76 ASN76 1183 RESIDUE 1 A ASN 2 77 CYS77 1197 RESIDUE 1 A CYS 2 78 PHE78 1208 RESIDUE 1 A PHE 2 79 PHE79 1228 RESIDUE 1 A PHE 2 80 VAL80 1248 RESIDUE 1 A VAL 2 81 LEU81 1264 RESIDUE 1 A LEU 2 82 GLY82 1283 RESIDUE 1 A GLY 1 83 ZN83 1290 RESIDUE 1 A ZN 0 ROOT