NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4761 8.3349 115.4125 58.2935 63.5501 171.5443 2 T 4.3566 7.5555 121.1396 61.6022 72.2147 172.7268 3 A 4.1863 9.3073 130.7106 51.7562 20.1144 176.8729 4 L 4.1663 8.2566 120.5074 54.5633 42.5005 176.6377 5 A 4.5173 8.1041 123.7742 50.2269 20.3214 177.3400 6 K 3.8673 8.5613 123.0611 56.1695 32.4644 175.1745 7 P 4.6210 0.0000 0.0000 61.1082 33.1354 174.7533 8 Q 4.1397 8.4051 119.7257 56.3276 29.0536 175.1114 9 M 4.6770 8.6624 123.1519 54.8274 34.2227 175.6691 10 R 4.5971 7.9623 117.2483 55.2109 32.8136 175.4729 11 G 3.9714 8.6461 107.5720 47.0391 0.0000 176.2755 12 L 4.0232 7.9842 121.7331 57.3050 41.7287 178.6157 13 L 3.9787 7.8804 119.7005 57.9659 42.1385 178.6819 14 A 4.0270 7.9357 120.3145 55.2258 18.5287 179.4393 15 R 3.9108 8.4253 117.0735 59.5028 30.1578 179.2467 16 R 4.0756 7.8028 118.1777 59.3050 30.0401 178.3143 17 L 3.9662 8.0164 120.0154 58.4061 41.9625 178.8894 18 R 3.9792 7.9563 116.5910 59.4115 29.8359 178.5915 19 F 4.5897 8.2374 119.6063 61.9971 39.5541 177.1054 20 H 3.4753 8.3790 115.6192 58.2603 28.3887 177.5984 21 I 3.7148 8.1347 121.2379 64.1614 37.7419 177.9507 22 V 3.8576 7.5493 118.8949 66.1168 31.3538 178.1999 23 G 3.6538 7.8865 104.2555 46.9623 0.0000 175.5648 24 A 3.9433 7.8894 123.4873 55.2134 18.4409 179.7151 25 F 4.1071 8.2928 117.7414 60.0951 39.0385 177.4867 26 M 4.0424 8.5344 118.3755 58.7149 32.1741 178.4179 27 V 3.6202 7.7916 118.3657 66.1977 31.4958 178.2226 28 S 4.4238 8.3797 113.8455 61.3645 62.7105 176.3505 29 L 4.3384 8.2810 123.1245 57.7454 41.4031 178.7021 30 G 3.6772 8.0868 105.1872 47.7771 0.0000 175.1876 31 F 4.0733 8.3191 119.3128 60.0109 39.2323 177.9589 32 A 4.1591 8.0419 120.0558 55.6196 18.2097 179.7523 33 T 4.1471 8.7745 108.2714 64.3907 69.0733 176.8842 34 F 4.2495 9.0502 124.3418 61.3672 39.3443 176.4491 35 Y 3.9188 8.5566 119.2534 60.4398 38.5885 177.4919 36 K 3.6123 8.0373 120.6827 59.4812 31.6536 178.2109 37 F 4.1533 8.1112 116.8084 59.8874 39.3043 178.1231 38 A 3.5324 7.8328 118.9887 54.1347 18.2366 177.9910 39 V 3.7963 7.5767 114.6101 63.9746 33.4232 177.1557 40 A 3.8137 7.0886 120.9819 54.8120 18.1946 178.8458 41 E 3.7963 8.4120 116.2787 59.4057 29.6975 179.6343 42 K 3.8157 7.3933 118.9366 59.8604 32.3265 178.7783 43 R 4.0544 7.8502 118.1931 59.0651 30.0973 178.2668 44 K 3.9750 8.1801 119.9589 59.1833 32.1011 178.7174 45 K 4.0864 8.3253 119.7041 59.1160 32.1702 178.3318 46 A 3.9932 8.3572 121.5874 55.8428 18.3358 179.3209 47 Y 3.8116 8.1453 114.1120 60.8769 37.6718 178.6435 48 A 4.1265 7.5575 119.6861 55.3908 18.9057 178.9468 49 D 4.5236 8.7862 117.5854 58.0843 40.7382 178.3262 50 F 3.9597 8.2125 119.3176 62.0898 39.3121 175.9668 51 Y 4.4471 8.2769 114.5905 58.8330 37.7673 177.7372 52 R 4.1802 7.9038 121.1517 58.8271 30.8720 177.7847 53 N 5.0861 7.8991 113.4042 52.6459 39.7879 174.0264 54 Y 4.1230 7.8499 118.9642 56.9832 40.2239 173.3374 55 D 4.5440 7.4486 124.9977 51.7505 43.2759 176.3036 56 S 4.1326 7.9322 124.9142 60.8744 63.0788 175.9849 57 M 4.1060 7.9542 121.3740 58.2058 32.0680 177.7823 58 K 3.8191 8.2185 119.8016 59.6229 32.4465 177.8307 59 D 4.5083 7.9668 118.1949 57.5464 41.0186 178.2058 60 F 4.4402 8.5233 121.0003 61.4854 39.4831 176.5788 61 E 3.5245 8.5649 118.4730 59.5282 29.3366 179.0858 62 E 3.8656 8.1746 118.2679 59.9585 29.0763 179.5878 63 M 3.8661 7.8282 118.1349 58.1356 31.9825 178.6913 64 R 3.8530 8.0776 119.0648 59.5740 30.0103 178.7886 65 K 3.9440 8.2071 116.6590 59.2077 32.0969 178.7297 66 A 4.1474 7.6647 119.4449 52.6492 18.2888 178.3251 67 G 3.8467 7.6740 105.3516 45.7302 0.0000 174.9998 68 I 3.7247 7.1309 113.9879 63.4036 37.7228 177.1623 69 F 4.7498 7.3669 118.1815 57.3921 39.2695 174.8353 70 Q 4.6991 8.9012 119.4003 56.0750 29.0555 175.9041 71 S 4.6275 7.8653 110.7034 57.7201 63.5711 174.3328 72 A 4.4521 7.5392 119.5398 52.3466 19.7616 177.0203 73 K 4.2349 8.5785 119.7322 57.1048 32.2772 177.4107 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 1 S 8.33 4.48 0.00 3.99 3.98 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 2 T 7.56 4.36 4.24 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 1.21 0.00 0.00 3 A 9.31 4.19 1.24 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 4 L 8.26 4.17 0.00 1.65 1.61 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.10 4.52 1.23 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 6 K 8.56 3.87 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 P 0.00 4.62 0.00 2.21 2.06 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 8 Q 8.41 4.14 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.66 4.68 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 10 R 7.96 4.60 0.00 1.77 1.82 0.00 3.34 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 11 G 8.65 3.97 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 12 L 7.98 4.02 0.00 1.71 1.74 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.88 3.98 0.00 1.77 1.67 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.94 4.03 1.39 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 15 R 8.43 3.91 0.00 2.15 2.05 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 R 7.80 4.08 0.00 2.02 2.17 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 17 L 8.02 3.97 0.00 1.85 1.82 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.96 3.98 0.00 1.91 2.07 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 19 F 8.24 4.59 0.00 3.09 3.38 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 20 H 8.38 3.48 0.00 3.22 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.13 3.71 2.12 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 1.11 0.00 0.00 22 V 7.55 3.86 2.30 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 1.06 0.00 0.00 0.98 0.00 0.00 23 G 7.89 3.65 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 24 A 7.89 3.94 1.18 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 25 F 8.29 4.11 0.00 3.28 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 26 M 8.53 4.04 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 27 V 7.79 3.62 2.26 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 1.35 0.00 0.00 1.00 0.00 0.00 28 S 8.38 4.42 0.00 4.10 4.09 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 29 L 8.28 4.34 0.00 1.98 1.85 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.09 3.68 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 31 F 8.32 4.07 0.00 3.18 3.24 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 32 A 8.04 4.16 1.50 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 0.00 0.00 33 T 8.77 4.15 4.58 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 1.43 0.00 0.00 34 F 9.05 4.25 0.00 3.14 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 35 Y 8.56 3.92 0.00 3.30 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 36 K 8.04 3.61 0.00 1.96 1.63 0.00 0.61 0.00 0.00 0.65 0.00 0.00 2.57 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.17 1.39 7.81 37 F 8.11 4.15 0.00 3.06 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 38 A 7.83 3.53 0.27 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 39 V 7.58 3.80 1.02 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 0.50 0.00 0.00 0.69 0.00 0.00 40 A 7.09 3.81 1.18 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 41 E 8.41 3.80 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 42 K 7.39 3.82 0.00 1.60 1.85 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 43 R 7.85 4.05 0.00 1.99 2.16 0.00 3.13 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 44 K 8.18 3.98 0.00 2.06 1.80 0.00 1.52 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 45 K 8.33 4.09 0.00 1.91 1.98 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.48 7.81 46 A 8.36 3.99 1.32 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 47 Y 8.15 3.81 0.00 3.16 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 48 A 7.56 4.13 1.47 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 49 D 8.79 4.52 0.00 2.94 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 50 F 8.21 3.96 0.00 2.83 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 51 Y 8.28 4.45 0.00 3.21 3.10 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 52 R 7.90 4.18 0.00 2.11 2.06 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 53 N 7.90 5.09 0.00 2.65 2.73 0.00 0.00 6.83 7.46 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 54 Y 7.85 4.12 0.00 2.89 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 55 D 7.45 4.54 0.00 2.54 2.27 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 56 S 7.93 4.13 0.00 4.22 4.36 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 57 M 7.95 4.11 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.70 0.00 58 K 8.22 3.82 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.41 7.81 59 D 7.97 4.51 0.00 2.91 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 60 F 8.52 4.44 0.00 3.28 3.41 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 61 E 8.56 3.52 0.00 2.10 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 2.60 2.54 0.00 62 E 8.17 3.87 0.00 2.14 1.98 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 2.30 2.60 0.00 63 M 7.83 3.87 0.00 1.58 2.29 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.46 0.00 64 R 8.08 3.85 0.00 1.07 1.74 0.00 3.17 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 65 K 8.21 3.94 0.00 1.85 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 66 A 7.66 4.15 1.28 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 67 G 7.67 3.85 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 0.00 0.00 0.00 68 I 7.13 3.72 1.66 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.74 0.00 0.00 69 F 7.37 4.75 0.00 3.32 3.08 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 Q 8.90 4.70 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.14 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 71 S 7.87 4.63 0.00 3.95 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 72 A 7.54 4.45 1.44 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 73 K 8.58 4.23 0.00 1.80 1.76 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.48 7.81