NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 V 4.0077 8.0549 120.3896 62.9285 31.3632 174.3924 59 K 4.2522 8.3341 124.6048 54.7901 33.4421 175.0293 60 N 3.6528 7.3627 115.5448 50.8219 41.6446 174.0998 61 Y 3.9133 7.3283 119.9426 60.7642 38.8190 177.3030 62 E 3.7446 8.0771 119.2792 59.7779 29.6330 179.3921 63 T 3.9477 8.4031 109.3658 64.2308 68.8630 176.7683 64 A 3.5009 7.7286 124.0332 54.7453 18.2053 179.6519 65 V 3.3751 7.8260 117.0855 66.1787 31.5075 178.2504 66 Q 4.0884 7.9253 117.6780 58.8986 28.5985 178.4947 67 F 4.0989 8.2919 121.5890 61.6006 39.4289 176.5425 68 C 4.4191 8.7158 116.3400 59.9663 40.8362 176.0081 69 W 4.2350 8.6902 130.1880 60.4213 30.2541 177.7388 70 N 4.1902 8.2421 116.5917 56.2160 37.8735 176.9823 71 H 3.8939 7.7790 117.1458 58.9029 28.7224 177.2087 72 Y 4.1316 7.8762 121.0528 60.7585 38.6991 177.9937 73 K 3.4099 7.5042 119.2806 59.5157 31.8496 179.0334 74 D 4.3750 7.7677 118.0021 57.3533 40.7028 178.6393 75 Q 4.0813 7.4215 117.7742 59.0649 29.1437 178.0715 76 M 4.2481 7.6862 119.5956 58.0315 31.8174 178.4203 77 D 4.5894 8.3054 119.0043 56.8309 41.0945 176.0632 78 P 4.4101 0.0000 0.0000 64.0550 31.9697 176.3905 79 I 4.3750 7.3422 113.8489 59.9921 38.1379 177.5046 80 E 2.0000 7.7793 124.2320 59.2558 29.5789 178.4682 81 K 3.6864 7.6531 116.7535 59.4105 32.6216 176.9948 82 D 4.7743 7.8422 117.2200 53.6030 40.9693 178.2085 83 W 4.5028 7.7716 120.8377 59.3755 29.0559 176.3643 84 C 3.7707 7.9619 113.4848 56.3711 40.2162 174.0979 85 D 4.4606 7.5163 122.6336 52.1511 39.3693 176.3440 86 W 4.4147 8.3049 124.2995 59.4469 29.0607 177.1536 87 A 4.0863 8.1343 118.8990 55.4882 18.2407 178.6679 88 M 4.1050 8.2603 115.6109 59.1009 32.1254 178.2685 89 I 3.9177 8.2373 118.7079 63.6281 38.0454 177.8353 90 S 4.2904 8.0196 115.4699 61.4177 62.6707 176.7673 91 R 3.9920 8.2113 122.0838 58.8105 30.0753 177.2809 92 P 4.4668 0.0000 0.0000 65.8154 31.3490 177.8061 93 Y 4.1463 8.1238 119.5374 60.7511 38.6911 177.7746 94 S 4.1188 8.6974 116.5430 61.9913 62.9437 176.7005 95 T 3.8542 7.9090 118.1830 66.6352 68.1134 176.2814 96 L 3.8914 7.6300 121.6482 58.2038 41.9803 179.3117 97 R 3.8487 7.6379 117.9840 59.3112 29.9918 178.7411 98 D 4.2260 8.3199 119.0497 57.3023 40.7472 178.1647 99 C 4.3499 8.3491 118.9609 59.8155 44.6145 175.4575 100 L 4.1295 8.1717 120.8270 57.9933 41.2159 179.2599 101 E 3.2737 8.0346 119.1476 58.8417 29.4547 177.9446 102 H 3.8727 8.4695 118.7192 59.5502 29.9527 177.2918 103 F 4.2139 8.3395 119.0994 60.0842 38.6568 177.3732 104 A 3.6711 8.4796 120.7515 55.5631 18.1827 179.6915 105 E 3.8449 8.1206 116.6814 59.3017 29.2456 179.3847 106 L 3.8409 7.6523 119.6710 56.9005 42.0308 178.0054 107 F 4.7599 7.6425 115.1926 55.9846 40.1155 175.1344 108 D 4.3862 7.8771 116.6473 55.9425 38.5653 173.3704 109 L 4.7476 7.8912 116.8667 52.4185 45.0137 177.3329 110 G 3.8924 8.2685 109.9159 45.5923 0.0000 172.9371 111 F 4.6181 8.1801 120.7826 55.7781 42.1168 172.2562 112 P 3.1498 0.0000 0.0000 62.2217 32.0093 175.2132 113 N 5.0081 7.7425 115.2309 49.7784 41.6779 173.4531 114 P 4.1808 0.0000 0.0000 65.6527 31.5120 178.7995 115 L 3.9074 8.0212 118.3686 58.1057 42.1773 178.5970 116 A 4.0654 8.5928 120.7741 55.3915 18.2509 179.4855 117 E 3.5690 8.3047 117.1343 59.3982 29.4441 179.7795 118 R 3.9583 8.0164 118.1732 59.2795 30.1832 179.1914 119 I 3.3563 7.5322 119.4365 64.0421 37.1216 178.5518 120 I 3.8541 7.6354 120.6885 64.5555 37.0090 178.3810 121 F 4.6194 7.9068 118.7811 60.6064 38.6630 177.2278 122 E 3.9377 8.3211 118.8885 59.8252 29.3380 178.9759 123 T 4.1998 8.1250 112.5812 65.3464 67.2476 176.0344 124 H 4.4203 8.5310 118.2281 58.9167 28.4853 177.8176 125 Q 4.0759 8.1193 119.4150 58.6512 28.7645 177.9963 126 I 4.0127 7.9836 112.5244 62.3781 38.1422 176.6449 127 H 3.8062 7.7622 116.6457 55.9867 30.3272 175.4073 128 F 5.0889 7.3932 115.9530 57.2334 39.8421 177.3858 129 A 4.1429 7.7953 122.0715 55.2219 18.2873 178.2325 130 N 4.8194 8.1403 109.7449 53.5384 38.9892 175.8931 131 C 4.6114 7.9236 117.6515 56.4157 40.9048 173.9510 132 S 4.4803 8.6341 120.5662 58.7286 63.1967 174.3638 133 L 4.4132 8.5520 122.7742 55.1731 41.5217 176.7717 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 58 V 8.05 4.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.55 0.00 0.00 59 K 8.33 4.25 0.00 2.01 1.85 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 60 N 7.36 3.65 0.00 2.63 2.72 0.00 0.00 5.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.33 3.91 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.08 3.74 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 63 T 8.40 3.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 A 7.73 3.50 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.83 3.38 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.06 0.00 0.00 66 Q 7.93 4.09 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 67 F 8.29 4.10 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.72 4.42 0.00 3.29 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.69 4.23 0.00 3.46 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.24 4.19 0.00 2.69 2.70 0.00 0.00 6.92 8.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.78 3.89 0.00 3.01 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.88 4.13 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.50 3.41 0.00 1.44 1.57 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.71 0.33 7.81 74 D 7.77 4.38 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.42 4.08 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 76 M 7.69 4.25 0.00 1.57 1.55 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.80 0.00 77 D 8.31 4.59 0.00 2.60 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.41 0.00 2.13 2.13 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 79 I 7.34 4.37 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.88 0.00 0.00 80 E 7.78 2.00 0.00 1.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 81 K 7.65 3.69 0.00 1.78 1.79 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.35 7.81 82 D 7.84 4.77 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 7.77 4.50 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 7.96 3.77 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.52 4.46 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.30 4.41 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.13 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.26 4.10 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 89 I 8.24 3.92 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.32 1.00 0.00 0.00 90 S 8.02 4.29 0.00 4.14 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.21 3.99 0.00 2.14 2.09 0.00 3.17 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 92 P 0.00 4.47 0.00 2.45 2.39 0.00 4.00 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 93 Y 8.12 4.15 0.00 3.42 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.70 4.12 0.00 4.10 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.91 3.85 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 96 L 7.63 3.89 0.00 1.32 1.33 0.95 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.64 3.85 0.00 1.92 1.94 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.00 98 D 8.32 4.23 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 8.35 4.35 0.00 3.24 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.17 4.13 0.00 1.98 2.05 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.03 3.27 0.00 1.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.72 0.00 102 H 8.47 3.87 0.00 3.11 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.34 4.21 0.00 3.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.48 3.67 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.12 3.84 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 106 L 7.65 3.84 0.00 1.41 1.50 0.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 107 F 7.64 4.76 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.88 4.39 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.89 4.75 0.00 1.32 1.36 0.46 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.27 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.18 4.62 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 3.15 0.00 2.00 1.36 0.00 3.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 113 N 7.74 5.01 0.00 2.94 3.04 0.00 0.00 5.92 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.18 0.00 2.19 2.15 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 115 L 8.02 3.91 0.00 1.82 1.97 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.59 4.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.30 3.57 0.00 2.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 118 R 8.02 3.96 0.00 1.92 1.92 0.00 3.46 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 119 I 7.53 3.36 1.94 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.93 0.00 0.00 120 I 7.64 3.85 1.73 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.40 1.12 0.00 0.00 121 F 7.91 4.62 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.32 3.94 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.37 0.00 123 T 8.12 4.20 4.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 124 H 8.53 4.42 0.00 3.64 3.55 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.12 4.08 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 126 I 7.98 4.01 1.74 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.04 0.92 0.00 0.00 127 H 7.76 3.81 0.00 1.41 1.76 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.39 5.09 0.00 3.16 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.80 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.14 4.82 0.00 2.80 2.93 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 C 7.92 4.61 0.00 3.41 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.63 4.48 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.55 4.41 0.00 1.67 1.55 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00