NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1511 8.1849 122.4871 55.1859 43.1417 176.1782 2 T 4.2325 8.0486 118.2534 59.3881 69.5071 172.8834 3 P 4.4961 0.0000 0.0000 61.3479 31.0404 175.2982 4 A 4.5994 7.4538 125.1006 51.0406 21.7730 176.1597 5 V 4.4781 8.1307 120.6512 61.9972 32.4092 175.0715 6 T 4.8398 8.6640 123.9684 62.0790 72.9078 172.9730 7 T 5.0155 8.4714 118.5681 62.1981 71.3403 173.0224 8 Y 4.9322 8.9882 125.0084 55.9330 43.2760 173.7525 9 K 5.1449 7.5623 119.7135 54.4259 36.3249 175.1433 10 L 5.0871 8.9037 123.9142 53.3066 45.7662 175.3101 11 V 4.8360 8.6627 124.5374 61.0972 35.3322 174.0335 12 I 4.7143 8.5385 126.3876 59.3177 40.0487 174.9302 13 N 5.0541 8.9498 122.4946 51.7123 38.5629 173.1433 14 G 4.5843 8.2629 108.8708 43.9041 0.0000 171.3158 15 K 4.6179 8.4414 118.4341 56.6313 32.6593 176.9746 16 T 4.4352 7.8602 106.6354 62.3504 70.7600 173.2651 17 L 4.8040 7.4846 123.6759 52.4226 45.8647 175.8455 18 K 5.4294 7.8729 120.6884 54.1940 32.8262 174.0536 19 G 4.4293 7.5091 106.6583 44.6343 0.0000 170.6977 20 E 5.2679 8.7085 115.9530 55.0430 32.9589 174.7944 21 T 4.9082 8.8778 117.0321 62.6232 73.8097 172.3088 22 T 5.3104 8.2344 111.4741 61.3266 72.4832 172.1763 23 T 4.6160 8.8390 115.7802 61.2505 71.4074 171.4368 24 E 5.1091 8.4182 121.0126 54.7069 32.2534 174.7712 25 A 4.3753 8.7335 122.1248 51.5857 23.1286 176.6939 26 V 4.0364 8.6573 116.6851 63.5738 32.7914 175.8598 27 D 4.8498 7.2782 116.5392 50.1728 43.9094 175.6033 28 A 3.6882 8.3884 119.9944 55.4689 17.9633 179.2672 29 A 3.8165 7.8744 118.1769 55.7204 18.4727 179.3874 30 T 3.6736 8.0301 113.5709 66.9086 68.5519 176.0887 31 A 3.4757 7.4271 121.5879 55.1311 18.3181 178.9062 32 E 3.4352 7.7254 117.2030 59.2839 29.6263 178.9491 33 K 3.7542 8.0999 119.5555 59.5636 32.2482 178.7571 34 V 3.5496 7.5888 118.1154 66.0391 31.4074 177.7449 35 F 4.7079 7.9497 117.5199 60.8060 38.7678 177.6507 36 K 4.3631 8.6255 118.2083 59.7744 31.8795 178.6667 37 Q 4.0294 8.2392 119.6540 59.7156 28.8091 178.1978 38 Y 4.0544 8.3181 119.7569 60.9403 38.8035 177.8626 39 A 4.0788 9.0620 121.9549 55.3419 18.2298 179.0054 40 N 4.2650 8.7076 114.8576 56.8609 39.2010 175.9540 41 D 4.4934 7.9618 118.4162 57.6689 41.3029 177.7388 42 N 4.3023 7.7718 115.9224 57.3770 39.0813 176.3512 43 G 4.1243 7.6207 108.6808 46.1941 0.0000 173.8167 44 V 4.4838 8.6792 111.1941 58.6825 35.5987 174.2660 45 D 4.5456 7.4874 128.5934 53.2929 39.4942 175.4798 46 G 3.9035 7.9148 113.1029 48.1036 0.0000 170.9376 47 E 4.5946 8.7386 128.5073 53.5040 31.4224 173.4333 48 W 5.4128 8.8162 135.0000 55.9933 31.5408 174.3457 49 T 4.1845 9.2595 129.5289 62.7561 72.8632 172.1678 50 Y 4.5243 8.4024 127.0257 56.7986 41.6955 175.4312 51 D 4.5160 8.8034 122.7922 51.8391 44.3508 175.6684 52 D 4.9490 8.2869 124.3498 53.0395 40.3712 176.5636 53 A 4.6909 7.9194 118.9904 51.4341 18.6789 177.1916 54 T 3.5608 8.4563 113.9072 66.6181 67.5963 173.4095 55 K 4.0324 7.8278 117.2731 57.9784 30.5391 171.1846 56 T 4.6808 7.9710 118.5356 61.7874 73.7796 174.0980 57 F 5.5093 9.1218 123.4702 57.3466 43.2070 173.8726 58 T 5.2448 8.6984 118.7572 62.1132 73.5056 173.5587 59 V 4.3438 8.3304 124.2823 60.3607 33.4900 174.7059 60 T 4.8269 8.8894 122.7663 61.3142 71.8551 174.2214 61 E 4.4132 7.7727 120.4799 55.3167 27.7898 178.0044 62 K 4.4149 7.5963 120.9432 53.6927 32.6062 173.2486 63 P 4.6928 0.0000 0.0000 61.4041 33.1766 177.0168 64 E 4.2663 8.4641 117.1645 56.6021 29.9840 176.2139 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 L 8.18 4.15 0.00 1.58 1.62 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.05 4.23 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 P 0.00 4.50 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 4 A 7.45 4.60 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 5 V 8.13 4.48 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 0.76 0.00 0.00 0.91 0.00 0.00 6 T 8.66 4.84 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 1.27 0.00 0.00 7 T 8.47 5.02 4.27 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 1.27 0.00 0.00 8 Y 8.99 4.93 0.00 3.01 2.92 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 0.00 0.00 0.00 9 K 7.56 5.14 0.00 1.52 1.58 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 10 L 8.90 5.09 0.00 0.27 0.56 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.66 4.84 2.02 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 1.03 0.00 0.00 0.88 0.00 0.00 12 I 8.54 4.71 1.83 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.08 0.85 0.00 0.00 13 N 8.95 5.05 0.00 2.49 2.63 0.00 0.00 6.41 8.20 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 14 G 8.26 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 0.00 0.00 0.00 0.00 15 K 8.44 4.62 0.00 1.71 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.32 7.81 16 T 7.86 4.44 4.21 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 1.18 0.00 0.00 17 L 7.48 4.80 0.00 1.67 1.47 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.87 5.43 0.00 1.70 1.66 0.00 1.77 0.00 0.00 2.34 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.34 7.81 19 G 7.51 4.43 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 0.00 20 E 8.71 5.27 0.00 1.99 1.85 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 2.14 2.35 0.00 21 T 8.88 4.91 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 1.02 0.00 0.00 22 T 8.23 5.31 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 T 8.84 4.62 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 24 E 8.42 5.11 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 25 A 8.73 4.38 1.09 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 0.00 0.00 26 V 8.66 4.04 2.01 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 0.96 0.00 0.00 0.87 0.00 0.00 27 D 7.28 4.85 0.00 2.76 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 28 A 8.39 3.69 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 3.82 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.03 3.67 4.28 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 1.11 0.00 0.00 31 A 7.43 3.48 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.73 3.44 0.00 2.00 2.01 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 2.15 2.31 0.00 33 K 8.10 3.75 0.00 1.80 1.87 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 34 V 7.59 3.55 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.86 0.00 0.00 35 F 7.95 4.71 0.00 3.16 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 36 K 8.63 4.36 0.00 1.97 1.96 0.00 1.69 0.00 0.00 1.40 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.92 1.33 7.81 37 Q 8.24 4.03 0.00 2.24 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 38 Y 8.32 4.05 0.00 3.24 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.06 4.08 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.71 4.26 0.00 2.79 3.12 0.00 0.00 7.19 8.39 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 41 D 7.96 4.49 0.00 2.65 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.77 4.30 0.00 2.42 2.95 0.00 0.00 7.43 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.62 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.68 4.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.83 0.00 0.00 45 D 7.49 4.55 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 46 G 7.91 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 0.00 0.00 0.00 47 E 8.74 4.59 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 48 W 8.82 5.41 0.00 3.22 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.26 4.18 4.18 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 1.21 0.00 0.00 50 Y 8.40 4.52 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.52 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.95 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.92 4.69 1.26 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 0.00 0.00 54 T 8.46 3.56 4.21 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 1.18 0.00 0.00 55 K 7.83 4.03 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.29 1.78 7.81 56 T 7.97 4.68 4.40 0.00 0.00 0.00 0.00 0.00 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 57 F 9.12 5.51 0.00 3.61 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.70 5.24 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 59 V 8.33 4.34 0.67 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 0.49 0.00 0.00 -0.11 0.00 0.00 60 T 8.89 4.83 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 61 E 7.77 4.41 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 62 K 7.60 4.41 0.00 1.64 1.66 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.36 7.81 63 P 0.00 4.69 0.00 2.22 2.04 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 64 E 8.46 4.27 0.00 1.92 1.85 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 2.19 2.32 0.00