NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4851 8.3049 120.3304 55.4556 33.3572 174.3856 2 M 4.5748 8.5748 123.0592 52.7785 34.9145 169.9304 3 V 4.3674 8.2878 121.7079 60.8312 34.3212 174.1467 4 W 4.6703 8.9481 135.0000 57.4165 31.0942 175.4089 5 T 4.1244 8.5276 124.1362 61.5612 66.9843 172.6141 6 P 4.4789 0.0000 0.0000 63.5995 32.2377 176.1120 7 V 4.1076 7.3087 119.3677 61.0756 32.6972 173.6437 8 N 4.1953 8.1936 124.0416 52.7443 36.2609 173.9231 9 N 4.9734 7.9392 129.3045 53.2056 39.9092 174.7785 10 K 3.8832 8.1324 115.6744 56.4267 32.8170 176.5064 11 M 4.8199 7.9720 120.9832 53.7494 35.2164 175.0208 12 F 4.9969 8.2416 116.7709 57.4750 41.2042 176.9708 13 E 3.5412 8.3750 121.5546 57.1561 27.5636 175.4684 14 T 3.8559 8.3410 122.6327 66.3807 68.9846 174.2918 15 F 4.5324 9.0182 123.7214 57.7337 36.6666 176.3185 16 S 4.5482 8.2765 114.7483 60.1825 63.1039 174.4213 17 Y 4.4033 8.2863 117.6007 58.1418 38.0797 175.0674 18 L 4.6712 7.6199 120.4469 52.0044 43.5715 174.4714 19 P 4.4187 0.0000 0.0000 62.1802 31.5566 174.5841 20 P 4.3609 0.0000 0.0000 62.7895 31.8232 176.2764 21 L 4.0914 8.3248 122.2758 54.5063 42.3082 177.9662 22 T 4.1942 8.2171 114.0136 61.3017 71.0503 175.1917 23 D 4.3510 8.5571 121.0269 57.6117 40.8438 178.7773 24 E 3.9741 8.1045 119.3070 59.2284 29.6870 178.8001 25 Q 3.8975 7.9729 117.8010 58.8173 28.7202 178.4796 26 I 3.6994 7.9329 120.7281 64.5167 37.1706 178.2912 27 A 4.0225 8.1688 121.1979 55.1553 18.1334 179.5814 28 A 3.9696 8.0115 119.2015 55.3274 18.4226 179.8761 29 Q 4.0611 8.1328 116.6861 59.0715 28.8126 179.0879 30 V 3.7215 8.1997 119.3854 66.2702 31.5953 177.5618 31 D 4.4297 8.3464 118.6233 57.7486 40.7104 178.2613 32 Y 4.1781 8.1539 119.7299 60.8345 38.8799 178.3393 33 I 3.8810 8.0190 120.6071 64.5188 37.3583 178.6526 34 V 3.5392 7.9603 118.7682 65.9639 31.1748 177.9319 35 A 3.9296 8.2912 119.5935 54.5769 18.2500 178.3677 36 N 4.0362 7.1584 112.0390 52.2491 38.6865 175.7903 37 G 3.7786 7.2196 108.1574 46.0180 0.0000 173.9621 38 W 5.0077 7.4583 118.3601 55.9512 30.7501 176.3439 39 I 4.4384 9.0350 124.0874 59.5396 37.7481 173.8559 40 P 4.8834 0.0000 0.0000 63.1467 32.7723 174.8733 41 C 5.0497 9.0340 121.0417 58.3167 35.7445 172.3087 42 L 5.3515 8.7458 122.9844 53.1652 44.6642 175.2522 43 E 5.5958 9.2385 121.0894 54.8299 34.1717 174.6127 44 F 5.6024 9.5120 116.6687 55.2944 42.3049 173.2168 45 A 4.4923 8.8226 121.6078 50.3546 21.4769 176.7576 46 T 4.5032 8.5740 111.2920 61.5740 70.9784 174.6126 47 D 4.8319 7.0452 120.6662 54.6609 41.1558 178.8277 48 H 4.2684 8.8979 128.1365 56.9901 28.4528 174.7845 49 G 2.9446 8.2600 112.8251 45.0509 0.0000 172.7285 50 F 5.0925 7.3939 116.8521 54.7894 42.8121 174.7955 51 V 4.1866 8.4254 122.7717 63.9581 32.1941 174.3974 52 Y 4.9478 8.5722 123.6752 56.5289 42.1032 173.5103 53 R 4.7399 8.7644 117.2069 55.1510 32.1161 174.5449 54 E 4.4704 9.7418 124.8724 57.7739 30.9166 176.8793 55 H 4.6804 8.2836 112.7037 57.0322 29.6728 174.2204 56 H 4.4405 7.4949 115.9484 55.5253 32.0089 172.5993 57 N 4.9015 7.8968 118.2901 52.4891 40.4595 175.1532 58 S 4.3360 7.5515 113.5435 56.6859 64.0761 171.7064 59 P 4.3038 0.0000 0.0000 64.5341 31.2279 177.2348 60 G 3.9311 8.8366 110.7407 45.4572 0.0000 172.1010 61 Y 4.2214 7.3634 121.1370 56.0071 39.7996 174.3586 62 Y 4.5445 6.9904 123.2317 56.4604 42.3367 174.4742 63 D 4.3048 8.6075 123.7388 54.4364 42.0465 177.6981 64 G 4.1917 8.5920 107.8562 46.0620 0.0000 174.9884 65 R 3.8898 7.7144 119.3435 58.7690 30.3642 176.8784 66 Y 4.4304 7.6963 114.8035 57.3487 38.6233 174.8410 67 W 5.0283 8.5839 123.8050 55.1642 32.5622 175.2314 68 T 4.1099 8.1186 117.8016 63.2070 68.9171 174.5559 69 M 4.6854 8.5923 126.8296 55.2988 33.2465 175.2934 70 W 4.7968 9.6251 135.0000 56.2461 31.2820 177.0823 71 K 3.5763 8.6755 129.6608 57.3760 30.3218 178.8713 72 L 4.9153 8.3957 123.7684 52.7895 45.4620 173.9374 73 P 4.3406 0.0000 0.0000 63.4018 32.2300 177.5663 74 M 4.3263 8.4840 123.2505 53.6624 30.4169 175.7033 75 F 4.4406 7.3562 118.3521 58.9829 40.0057 176.5857 76 G 4.0376 9.1464 113.1308 45.5539 0.0000 173.0865 77 C 4.3062 7.7536 120.3969 59.5864 31.7973 173.1515 78 R 4.5125 8.6585 124.2961 55.6549 30.8799 174.6878 79 D 4.8095 7.8280 119.1060 51.5570 41.9934 174.4824 80 P 4.2942 0.0000 0.0000 66.4976 30.8759 178.1144 81 M 4.0980 8.3058 118.1819 58.2023 31.8915 178.5887 82 Q 4.0124 8.0110 118.3019 58.9505 28.8986 179.1756 83 V 3.5925 7.7652 118.5077 66.1337 31.5981 177.7334 84 L 4.0183 7.9845 118.6213 58.0958 41.4844 179.8414 85 R 3.9815 8.3357 118.0315 59.3289 29.8826 179.0141 86 E 4.1484 8.2225 118.3892 59.2299 29.4581 179.2662 87 I 3.5486 7.7562 120.1014 64.3405 37.1640 178.6353 88 V 3.4937 7.6014 118.5323 65.7750 31.3635 177.9199 89 A 3.9313 7.9898 120.5192 55.2143 18.2875 179.1401 90 C 2.0000 7.6205 117.6079 62.1373 31.3615 176.0107 91 T 3.7538 7.5517 111.0515 64.3206 67.9665 176.3478 92 K 3.8273 7.6550 121.9774 59.2263 32.2911 178.3721 93 A 3.9669 7.5885 120.2100 53.4020 20.0363 177.6371 94 F 4.7340 7.7269 115.3906 55.1725 39.1016 174.0706 95 P 4.5385 0.0000 0.0000 64.2269 31.8599 177.7802 96 D 4.6027 8.0266 116.8476 53.9567 41.2928 175.5819 97 A 4.6593 7.3870 121.1119 50.3492 21.2105 177.0634 98 Y 4.2377 8.1267 117.7938 58.0460 39.1921 175.4966 99 V 5.1999 9.1617 123.9166 61.1260 35.2878 174.3381 100 R 5.0254 9.5729 123.4071 54.3465 33.3598 173.5275 101 L 4.8809 8.0855 123.2818 53.8016 43.8107 175.6886 102 V 4.8121 8.6241 118.3762 59.5043 36.3291 174.2103 103 A 4.8622 8.0749 121.7806 50.4779 22.8671 175.2084 104 F 5.2755 9.2129 119.6882 55.7195 42.6344 174.0699 105 D 5.4252 8.7290 122.2927 52.7257 42.4928 176.6329 106 N 4.7303 9.1554 122.8746 54.3152 38.4345 176.5655 107 Q 4.1351 8.4414 118.5659 59.2021 28.8525 177.6511 108 K 4.0663 8.2333 113.8763 56.7541 32.9731 176.7050 109 Q 3.3806 7.9641 117.9693 55.8893 27.0863 172.5996 110 V 4.4799 7.7448 117.2662 60.0630 34.9795 173.9969 111 Q 4.4457 8.7190 123.2587 56.4335 29.2991 175.4722 112 I 4.2348 7.9352 124.8964 61.1091 39.8958 174.3681 113 M 4.5270 6.7669 117.2943 54.8103 34.3026 173.6388 114 G 4.7492 8.3580 104.1465 46.9695 0.0000 172.6425 115 F 5.0436 7.1696 116.1045 55.1991 41.0772 172.9686 116 L 4.6561 8.8896 123.0963 55.6996 42.1128 176.8105 117 V 4.5595 9.0392 117.8334 61.5069 34.0363 175.6965 118 Q 4.6774 7.8673 121.2375 54.6701 32.3025 173.1718 119 R 4.6530 8.2712 121.6625 53.1899 32.6336 173.5319 120 P 4.1485 0.0000 0.0000 62.6616 32.2601 176.8959 121 K 4.0721 8.3292 122.4403 55.2650 31.5236 176.3690 *127 Q 4.0405 8.2757 122.2699 54.5940 30.1201 173.7381 128 P 4.1373 0.0000 0.0000 62.4564 32.0020 176.9678 129 A 4.0823 8.7021 124.5788 54.4876 18.2855 177.9410 130 N 4.8702 7.9832 110.0741 52.8245 38.9572 175.2243 131 K 4.3744 7.7517 117.8394 56.6554 32.1729 177.6991 132 R 3.8148 7.5938 120.3941 57.5565 30.9298 176.2274 133 S 5.7590 7.6287 111.8947 55.5126 66.2954 174.6337 134 V 4.0995 8.1281 113.1617 61.8081 32.1577 175.1404 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 M 8.30 4.49 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.57 4.57 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 3 V 8.29 4.37 2.11 0.00 0.00 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 0.97 0.00 0.00 4 W 8.95 4.67 0.00 3.47 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 4.12 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 1.09 0.00 0.00 6 P 0.00 4.48 0.00 2.22 2.18 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 7 V 7.31 4.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 8 N 8.19 4.20 0.00 2.86 2.89 0.00 0.00 5.77 8.04 0.00 0.00 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 N 7.94 4.97 0.00 2.70 2.69 0.00 0.00 7.28 6.68 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 10 K 8.13 3.88 0.00 1.77 1.20 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.32 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.17 1.11 7.81 11 M 7.97 4.82 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 12 F 8.24 5.00 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.38 3.54 0.00 2.15 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 0.00 2.26 2.17 0.00 14 T 8.34 3.86 4.08 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 0.22 0.00 0.00 15 F 9.02 4.53 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.28 4.55 0.00 4.18 4.26 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 17 Y 8.29 4.40 0.00 3.02 3.18 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 18 L 7.62 4.67 0.00 1.84 1.61 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.42 0.00 2.17 2.07 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 20 P 0.00 4.36 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.32 4.09 0.00 1.63 1.52 0.47 0.60 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 22 T 8.22 4.19 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 1.19 0.00 0.00 23 D 8.56 4.35 0.00 2.71 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 24 E 8.10 3.97 0.00 2.02 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 2.35 2.39 0.00 25 Q 7.97 3.90 0.00 2.31 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 7.93 3.70 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 1.10 0.00 0.00 27 A 8.17 4.02 1.38 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 0.00 0.00 28 A 8.01 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 4.06 0.00 2.45 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.32 1.87 0.00 30 V 8.20 3.72 2.31 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 1.10 0.00 0.00 1.13 0.00 0.00 31 D 8.35 4.43 0.00 2.97 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 32 Y 8.15 4.18 0.00 3.23 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 33 I 8.02 3.88 2.18 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.43 1.08 0.00 0.00 34 V 7.96 3.54 2.19 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 1.03 0.00 0.00 1.00 0.00 0.00 35 A 8.29 3.93 1.22 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 0.00 0.00 0.00 36 N 7.16 4.04 0.00 1.44 1.42 0.00 0.00 7.03 8.25 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 37 G 7.22 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 0.00 0.00 0.00 0.00 38 W 7.46 5.01 0.00 3.39 3.09 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 39 I 9.04 4.44 2.09 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.76 0.00 0.00 40 P 0.00 4.88 0.00 2.14 2.21 0.00 3.88 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 41 C 9.03 5.05 0.00 3.08 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 42 L 8.75 5.35 0.00 1.86 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.24 5.60 0.00 2.10 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 2.38 2.34 0.00 44 F 9.51 5.60 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 45 A 8.82 4.49 -0.32 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 46 T 8.57 4.50 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 1.26 0.00 0.00 47 D 7.05 4.83 0.00 2.58 1.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.90 4.27 0.00 3.11 3.23 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.26 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 5.09 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.79 0.00 0.00 52 Y 8.57 4.95 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 53 R 8.76 4.74 0.00 1.75 1.94 0.00 3.25 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 54 E 9.74 4.47 0.00 2.20 1.94 0.00 0.00 0.00 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 2.26 0.00 55 H 8.28 4.68 0.00 3.25 3.35 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.49 4.44 0.00 2.31 1.65 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.90 4.90 0.00 2.55 2.68 0.00 0.00 6.98 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 58 S 7.55 4.34 0.00 3.99 3.96 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 0.00 0.00 0.00 0.00 59 P 0.00 4.30 0.00 2.05 2.05 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 60 G 8.84 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.36 4.22 0.00 2.96 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 62 Y 6.99 4.54 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.61 4.30 0.00 1.58 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 0.00 0.00 0.00 0.00 64 G 8.59 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 0.00 0.00 0.00 0.00 65 R 7.71 3.89 0.00 1.46 1.63 0.00 3.02 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 66 Y 7.70 4.43 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.58 5.03 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.11 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 0.97 0.00 0.00 69 M 8.59 4.69 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.78 0.00 70 W 9.63 4.80 0.00 3.67 3.32 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 71 K 8.68 3.58 0.00 1.70 0.74 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.76 0.21 7.81 72 L 8.40 4.92 0.00 1.61 1.59 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.34 0.00 0.69 1.82 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 74 M 8.48 4.33 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 75 F 7.36 4.44 0.00 3.13 3.02 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 0.00 0.00 0.00 0.00 76 G 9.15 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 7.75 4.31 0.00 3.00 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 78 R 8.66 4.51 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 79 D 7.83 4.81 0.00 2.66 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 80 P 0.00 4.29 0.00 2.33 2.35 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 81 M 8.31 4.10 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 82 Q 8.01 4.01 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 83 V 7.77 3.59 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 1.12 0.00 0.00 1.02 0.00 0.00 84 L 7.98 4.02 0.00 1.91 1.73 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.34 3.98 0.00 2.11 2.02 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 86 E 8.22 4.15 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 87 I 7.76 3.55 2.02 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 1.36 0.99 0.87 0.00 0.00 88 V 7.60 3.49 2.19 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 0.97 0.00 0.00 0.96 0.00 0.00 89 A 7.99 3.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 7.62 2.00 0.00 1.23 2.24 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 91 T 7.55 3.75 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 1.15 0.00 0.00 92 K 7.66 3.83 0.00 1.86 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 93 A 7.59 3.97 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 94 F 7.73 4.73 0.00 2.83 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 95 P 0.00 4.54 0.00 2.11 2.10 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 96 D 8.03 4.60 0.00 2.65 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 97 A 7.39 4.66 1.33 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 0.00 0.00 98 Y 8.13 4.24 0.00 2.18 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.16 5.20 2.08 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 0.78 0.00 0.00 0.96 0.00 0.00 100 R 9.57 5.03 0.00 1.85 2.02 0.00 2.34 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.40 0.00 101 L 8.09 4.88 0.00 1.53 0.76 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.62 4.81 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.61 0.00 0.00 103 A 8.07 4.86 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 0.00 104 F 9.21 5.28 0.00 2.97 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 0.00 105 D 8.73 5.43 0.00 2.37 2.43 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 0.00 106 N 9.16 4.73 0.00 2.94 3.05 0.00 0.00 6.31 7.39 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 0.00 107 Q 8.44 4.14 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 108 K 8.23 4.07 0.00 1.75 1.86 0.00 1.94 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 109 Q 7.96 3.38 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 110 V 7.74 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 0.55 0.00 0.00 0.91 0.00 0.00 111 Q 8.72 4.45 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 112 I 7.94 4.23 1.25 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.38 -0.45 0.00 0.00 113 M 6.77 4.53 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 114 G 8.36 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.17 5.04 0.00 3.25 3.19 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 0.00 116 L 8.89 4.66 0.00 1.78 1.71 1.09 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 117 V 9.04 4.56 2.12 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 0.74 0.00 0.00 0.92 0.00 0.00 118 Q 7.87 4.68 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 119 R 8.27 4.65 0.00 1.55 1.65 0.00 3.16 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 120 P 0.00 4.15 0.00 1.71 1.88 0.00 2.69 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.53 0.00 121 K 8.33 4.07 0.00 1.69 1.75 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 *127 Q 8.28 4.04 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 128 P 0.00 4.14 0.00 2.13 2.00 0.00 3.59 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 2.10 2.12 0.00 129 A 8.70 4.08 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 0.00 130 N 7.98 4.87 0.00 2.80 2.91 0.00 0.00 6.03 7.13 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 0.00 131 K 7.75 4.37 0.00 1.73 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 132 R 7.59 3.81 0.00 1.19 0.66 0.00 2.89 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 133 S 7.63 5.76 0.00 3.88 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 0.00 134 V 8.13 4.10 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 0.62 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.