NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4339 8.1733 122.0547 56.2743 34.2822 173.9186 3 L 4.8414 8.4891 125.9640 52.1861 44.0864 173.8025 4 Q 4.6105 9.5645 126.1012 54.1280 32.5555 173.5787 5 L 4.6154 8.7313 128.0563 54.1469 43.3989 176.1551 6 V 4.6898 8.9440 124.8052 61.1593 33.2597 173.9250 7 A 5.1948 8.7064 129.7329 49.7240 22.3815 175.0740 8 V 3.9847 8.3936 123.0251 63.0839 32.2250 175.0791 9 G 3.9594 8.2612 116.5508 44.5764 0.0000 173.7031 10 T 4.7420 8.3194 110.9353 59.6992 69.7608 173.4943 11 K 4.4226 7.6758 120.9957 54.3103 34.7048 174.3330 *13 P 4.1713 0.0000 0.0000 62.1305 33.7867 177.5957 14 D 4.4093 8.5261 119.9871 57.3030 40.7585 179.2416 15 W 4.3355 8.1753 116.8965 59.5060 28.1106 178.4934 16 V 3.0464 6.4333 118.4491 65.5782 30.9452 177.7446 17 Q 4.0419 7.7811 117.7366 59.3092 28.5322 179.0521 18 T 3.9860 8.4012 117.1072 66.7903 68.5154 176.9215 19 G 3.7340 8.3774 107.5297 47.6538 0.0000 175.4665 20 F 4.3947 8.7864 123.6741 61.5007 39.5407 177.2980 21 T 3.7549 8.5267 109.1746 63.8912 68.5229 176.0431 22 E 3.6494 8.0028 122.0830 59.0495 29.7167 177.6164 23 Y 3.9789 7.0967 115.4013 59.6805 38.5605 177.3295 24 L 3.4891 7.5550 121.3933 58.4339 41.8440 179.3865 25 R 3.9906 7.6950 115.8608 58.5592 30.0202 178.6171 26 R 3.7728 7.3536 116.8168 56.9175 30.4043 177.0570 27 F 3.5099 7.1419 117.8356 56.2558 38.9299 173.5192 28 P 4.4908 0.0000 0.0000 61.8430 32.1652 177.4080 29 K 4.2068 8.5522 118.5612 59.4423 32.0297 177.2156 30 D 4.6416 7.2847 118.5033 53.2476 39.7966 174.3920 *32 P 4.2494 0.0000 0.0000 63.4420 33.4071 175.6842 33 F 4.8443 8.7095 124.7573 56.5407 41.4735 173.7102 34 E 4.9003 8.8525 125.5068 54.3334 33.6074 174.6474 35 L 5.2314 8.5330 122.6259 53.4022 45.1502 175.4991 36 I 4.5300 8.7509 126.2764 59.5854 39.9958 174.2002 37 E 4.8975 8.7471 126.7821 55.3086 31.4852 175.0802 38 I 4.5289 8.5483 125.4680 58.8158 39.5137 173.6077 39 P 4.6469 0.0000 0.0000 62.3137 31.9334 176.2558 40 A 4.2283 8.5317 126.9584 51.5837 19.1038 177.8497 41 G 3.7091 8.7480 111.7736 45.1941 0.0000 173.6436 42 K 4.0868 8.4444 121.6651 56.2426 32.8879 178.8559 43 R 4.3147 8.2902 127.5018 54.8361 28.9406 175.2771 44 G 3.9126 7.4320 110.0809 44.5616 0.0000 172.9041 45 K 3.9479 8.6732 117.7999 59.4339 32.3861 177.8095 46 N 4.8889 7.9793 114.3782 52.4418 39.1410 174.2583 47 A 4.2517 7.7012 121.0222 51.5102 19.8142 178.5074 48 D 4.6239 8.3958 120.5819 52.9597 41.8453 177.0102 49 I 3.6737 8.4302 122.7167 64.4637 37.1397 178.0201 50 K 3.9630 8.5659 119.9459 59.3087 31.9018 179.6054 51 R 3.9199 7.8965 117.8873 59.1279 29.9968 178.9450 52 I 3.6856 7.8847 119.7161 64.3103 37.0372 178.2264 53 L 3.9213 8.2262 121.4455 58.2348 41.8284 178.6268 54 D 4.3317 8.2937 119.0100 57.2383 40.7370 178.8551 55 K 3.9043 8.1575 119.9882 59.4535 32.0316 178.4940 56 E 4.0116 8.1399 117.9289 59.6356 29.5118 179.4121 57 G 3.7447 8.1056 104.3227 47.8081 0.0000 175.1044 58 E 4.1856 8.4401 121.2406 59.1963 29.4802 180.0104 59 Q 4.2951 7.8717 116.4207 56.3603 28.8458 178.2277 *61 L 4.2287 8.0138 122.1741 54.7797 43.8079 179.2818 62 A 3.9777 8.1461 119.5828 55.0213 18.2768 179.2379 63 A 4.0286 7.8972 118.3252 55.1364 18.7276 179.4091 64 A 4.0806 7.4143 120.3459 52.8971 18.8276 178.4467 65 G 3.5938 8.1624 106.1000 47.2932 0.0000 174.6192 66 K 4.3284 8.6306 124.6497 56.5075 32.1060 176.5439 67 N 4.6106 7.7652 117.0474 52.9412 39.4765 174.9510 68 R 4.2237 8.4503 121.8317 56.3459 31.3965 175.2108 69 I 4.7248 8.4857 126.9513 59.6993 39.5080 174.4382 70 V 4.9130 8.6768 128.1508 61.2598 33.8633 174.4275 71 T 4.8350 8.6659 118.4651 60.5096 71.1792 173.8287 72 L 4.8168 8.5309 124.8594 53.9845 42.5448 175.7264 73 D 4.6478 8.7462 123.2294 52.7126 44.5054 176.3825 74 I 3.6739 8.5643 125.6963 63.9971 37.2838 175.2571 75 P 4.4655 0.0000 0.0000 62.7144 31.2519 176.2583 76 G 3.7899 7.7400 108.6865 44.4131 0.0000 173.5035 77 K 3.9058 8.2920 119.7576 55.7609 32.5919 176.6024 78 P 5.0650 0.0000 0.0000 60.5089 30.1388 176.2799 79 W 4.6733 7.7577 119.8054 57.7703 30.1576 177.1737 80 D 4.8682 9.1616 123.4677 52.5301 41.8097 177.9366 81 T 3.8259 8.2839 115.2207 66.3877 68.4274 174.8705 82 P 4.1369 0.0000 0.0000 65.9179 31.2622 178.6695 83 Q 3.7964 8.4780 116.6988 58.6513 28.4709 178.5760 84 L 3.0893 7.8287 121.3842 57.5778 42.0688 178.8198 85 A 3.6856 7.8343 120.5745 55.0327 18.2594 179.4135 86 A 3.7213 7.6357 119.1559 55.2296 18.3067 179.7775 87 E 3.1566 7.5621 117.2847 58.9493 29.2342 179.1397 88 L 3.2711 6.9976 120.3724 57.9571 41.9755 178.9184 89 E 3.8528 7.8535 118.3586 59.2847 29.1507 179.2144 90 R 3.8543 7.5650 117.5869 59.3310 30.5560 178.2126 91 W 4.5779 8.3057 119.0591 59.8789 28.8052 178.6142 92 K 4.0990 8.1565 117.4830 59.5571 31.5804 179.1780 93 L 4.1616 7.6639 117.7294 57.2662 41.5169 178.7492 94 D 4.4820 7.7071 117.7250 56.8473 41.2909 175.7930 95 G 4.1869 8.3873 105.4940 45.8687 0.0000 174.2155 96 R 4.2342 7.8063 117.1864 55.2891 31.1164 176.0855 97 D 4.6813 8.4528 120.0943 54.8149 42.4906 175.1940 98 V 4.6149 8.3871 120.3567 61.2771 33.8130 174.3822 99 S 5.1086 8.8476 124.2921 56.8339 65.2966 172.9239 100 L 4.9714 8.8578 125.3680 53.1319 43.7690 175.2977 101 L 5.0643 8.7984 124.9668 53.1286 44.0417 175.6939 102 I 4.5678 8.5987 124.9413 59.2709 39.9092 175.9091 103 G 4.0113 8.7502 114.7167 45.5336 0.0000 173.1534 104 G 4.0238 8.1929 108.1169 44.2201 0.0000 172.3690 105 P 4.1900 0.0000 0.0000 65.3078 31.3202 177.2499 106 E 4.2060 8.0831 115.2434 56.4882 30.3732 177.1759 107 G 3.8619 8.1768 105.4973 44.2375 0.0000 172.5079 108 L 4.7330 7.9480 119.9179 52.6336 44.3394 177.0616 109 S 4.3804 8.2424 116.7628 57.6091 65.1301 173.5392 110 P 4.2322 0.0000 0.0000 65.8565 31.0623 178.8766 111 A 3.9938 7.9127 119.0875 55.2297 18.1387 179.3189 112 C 4.0990 7.8157 114.3947 62.9602 28.2167 176.2008 113 K 4.1121 8.1528 119.9226 59.3254 31.3896 179.2912 114 A 4.0314 8.1235 120.0856 54.3968 18.4145 178.6677 115 A 4.2658 7.6322 116.9472 51.8409 19.2233 177.4634 116 A 4.1084 7.1124 121.5047 52.0643 19.0134 177.6547 117 E 4.3427 9.1543 123.3337 58.8087 30.9940 176.8058 118 Q 4.7722 7.9748 116.1231 54.3986 33.9880 173.9073 119 S 5.2182 8.5778 114.4249 56.3549 66.5396 172.2776 120 W 4.7384 9.1016 135.0000 55.5000 33.6460 173.5012 121 S 4.8758 8.8147 122.6252 56.6900 62.9562 174.9095 122 L 4.0381 8.4376 127.7708 57.5283 41.8939 176.8994 123 S 4.5493 7.3090 109.1325 57.0451 64.8937 174.3957 124 A 4.1315 8.5170 127.3371 54.5590 18.4881 178.4861 125 L 4.1759 7.6418 115.3720 54.7220 42.2290 177.6471 126 T 4.2030 8.1709 118.2466 62.8329 67.4315 174.4045 127 L 4.4707 8.0115 126.5099 52.8436 43.2438 175.9469 128 P 4.4726 0.0000 0.0000 62.4676 33.4942 176.6280 129 H 3.8030 8.8424 121.3096 59.1447 29.6698 175.1174 130 P 4.1008 0.0000 0.0000 66.2284 30.7451 178.1769 131 L 4.1330 7.8486 117.9202 56.9109 41.5489 179.3321 132 V 3.4872 7.7402 118.6612 65.9470 31.4055 178.2254 133 R 3.8918 7.7423 117.6716 59.2679 29.7964 179.2871 134 V 3.8897 7.6733 117.7412 66.0205 31.5687 177.8130 135 L 3.9446 8.3018 120.5035 58.0839 41.9019 179.1026 136 V 3.6855 8.1733 118.2417 65.9639 31.5373 177.9094 137 A 4.0062 8.3256 120.5572 55.2422 18.1689 179.2782 138 E 3.3936 8.3306 118.3915 59.1515 29.4993 179.1838 139 S 4.2917 8.4602 114.5359 61.5136 63.2093 176.5083 140 L 4.2124 8.4496 122.7448 57.5093 41.3879 178.6697 141 Y 3.5484 8.3358 119.7089 60.4881 38.7118 178.1412 142 R 3.9049 8.3408 119.5351 59.5345 30.2287 178.2704 143 A 3.8595 8.2530 120.6399 54.7478 18.4218 179.1923 144 W 3.9881 8.5012 127.5402 60.7421 30.7615 178.2465 145 S 3.2893 8.1562 114.3549 61.2275 62.0454 176.5963 146 I 3.5664 7.4555 123.3996 64.3394 36.6613 178.5534 147 T 3.7791 7.3548 109.3053 63.7443 68.5580 175.0132 148 T 4.0912 6.6468 108.8426 60.1378 69.1322 173.3724 149 N 3.9867 7.2937 119.1360 54.8911 38.2501 173.3198 150 H 4.5280 7.6052 115.4113 54.3369 30.7793 173.9617 151 P 4.5038 0.0000 0.0000 64.2706 31.5456 176.6438 152 Y 4.3218 7.8415 118.7449 60.9190 38.7902 175.6509 153 H 4.3086 8.2512 121.7062 56.3017 30.0098 174.4316 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 2 K 8.17 4.43 0.00 1.83 2.05 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 3 L 8.49 4.84 0.00 1.28 1.32 1.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.56 4.61 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 5 L 8.73 4.62 0.00 1.59 1.56 1.26 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.94 4.69 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 0.91 0.00 0.00 0.87 0.00 0.00 7 A 8.71 5.19 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 8 V 8.39 3.98 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 0.67 0.00 0.00 0.89 0.00 0.00 9 G 8.26 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 0.00 0.00 0.00 10 T 8.32 4.74 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 11 K 7.68 4.42 0.00 1.68 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 *13 P 0.00 4.17 0.00 1.69 2.02 0.00 3.22 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.12 0.00 14 D 8.53 4.41 0.00 2.79 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 15 W 8.18 4.34 0.00 3.60 3.37 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 16 V 6.43 3.05 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 0.82 0.00 0.00 -0.85 0.00 0.00 17 Q 7.78 4.04 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 18 T 8.40 3.99 4.52 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 0.00 0.00 1.25 0.00 0.00 19 G 8.38 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.79 4.39 0.00 3.14 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 21 T 8.53 3.75 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 1.46 0.00 0.00 22 E 8.00 3.65 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 23 Y 7.10 3.98 0.00 3.00 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 24 L 7.55 3.49 0.00 1.11 1.50 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.69 3.99 0.00 1.75 1.86 0.00 3.16 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 26 R 7.35 3.77 0.00 0.67 0.92 0.00 2.21 0.00 0.00 2.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.31 0.00 27 F 7.14 3.51 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 28 P 0.00 4.49 0.00 2.49 2.10 0.00 3.20 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 29 K 8.55 4.21 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 30 D 7.28 4.64 0.00 3.05 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 *32 P 0.00 4.25 0.00 2.10 2.05 0.00 3.56 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 2.01 2.10 0.00 33 F 8.71 4.84 0.00 2.02 2.50 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 34 E 8.85 4.90 0.00 1.79 1.74 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 2.19 2.16 0.00 35 L 8.53 5.23 0.00 1.87 1.63 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.75 4.53 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.88 0.00 0.00 37 E 8.75 4.90 0.00 1.88 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 2.26 2.27 0.00 38 I 8.55 4.53 1.83 0.00 0.00 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 1.19 0.91 0.88 0.00 0.00 39 P 0.00 4.65 0.00 1.90 1.95 0.00 3.77 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 2.00 2.07 0.00 40 A 8.53 4.23 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 41 G 8.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.09 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 43 R 8.29 4.31 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 44 G 7.43 3.91 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 0.00 45 K 8.67 3.95 0.00 1.87 1.96 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 46 N 7.98 4.89 0.00 2.70 2.83 0.00 0.00 6.84 7.35 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 47 A 7.70 4.25 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 48 D 8.40 4.62 0.00 2.71 2.57 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 49 I 8.43 3.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.90 0.00 0.00 50 K 8.57 3.96 0.00 1.91 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.47 7.81 51 R 7.90 3.92 0.00 1.96 1.96 0.00 3.17 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 52 I 7.88 3.69 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.89 0.00 0.00 53 L 8.23 3.92 0.00 1.88 1.81 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.29 4.33 0.00 2.87 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 55 K 8.16 3.90 0.00 1.86 1.95 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.50 7.81 56 E 8.14 4.01 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 57 G 8.11 3.74 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 0.00 0.00 0.00 58 E 8.44 4.19 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 59 Q 7.87 4.30 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 *61 L 8.01 4.23 0.00 1.71 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.15 3.98 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 63 A 7.90 4.03 1.34 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 0.00 0.00 64 A 7.41 4.08 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 65 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.63 4.33 0.00 1.74 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 67 N 7.77 4.61 0.00 2.66 2.75 0.00 0.00 6.83 7.21 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 68 R 8.45 4.22 0.00 1.80 1.59 0.00 2.39 0.00 0.00 2.80 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 69 I 8.49 4.72 2.01 0.00 0.00 0.80 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 0.77 0.89 0.00 0.00 70 V 8.68 4.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.67 0.00 0.00 71 T 8.67 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 1.21 0.00 0.00 72 L 8.53 4.82 0.00 1.58 1.49 0.75 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.75 4.65 0.00 2.74 2.40 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 74 I 8.56 3.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.95 0.00 0.00 75 P 0.00 4.47 0.00 2.02 2.06 0.00 3.60 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 2.00 2.06 0.00 76 G 7.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.91 0.00 0.79 1.32 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.57 7.81 78 P 0.00 5.07 0.00 2.24 2.12 0.00 3.37 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 79 W 7.76 4.67 0.00 3.32 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 80 D 9.16 4.87 0.00 3.00 2.90 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 81 T 8.28 3.83 4.23 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 1.05 0.00 0.00 82 P 0.00 4.14 0.00 2.10 2.04 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 83 Q 8.48 3.80 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 84 L 7.83 3.09 0.00 1.67 1.63 -0.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.83 3.69 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 86 A 7.64 3.72 1.12 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 87 E 7.56 3.16 0.00 1.16 1.12 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 1.47 1.47 0.00 88 L 7.00 3.27 0.00 1.34 1.57 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.85 3.85 0.00 2.04 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 0.00 2.37 2.32 0.00 90 R 7.56 3.85 0.00 1.66 1.95 0.00 3.43 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 91 W 8.31 4.58 0.00 3.49 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 92 K 8.16 4.10 0.00 1.95 1.92 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.68 7.81 93 L 7.66 4.16 0.00 1.78 1.75 0.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.71 4.48 0.00 2.79 2.96 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 95 G 8.39 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 96 R 7.81 4.23 0.00 1.90 1.83 0.00 3.38 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 97 D 8.45 4.68 0.00 2.55 2.53 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 98 V 8.39 4.61 1.83 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 0.20 0.00 0.00 0.65 0.00 0.00 99 S 8.85 5.11 0.00 3.69 3.67 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 0.00 100 L 8.86 4.97 0.00 1.57 1.68 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.80 5.06 0.00 1.61 1.56 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.60 4.57 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.71 0.00 0.00 103 G 8.75 4.01 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 0.00 0.00 0.00 104 G 8.19 4.02 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 0.00 0.00 0.00 105 P 0.00 4.19 0.00 2.04 2.12 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 106 E 8.08 4.21 0.00 1.92 1.97 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 2.27 2.35 0.00 107 G 8.18 3.86 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 0.00 0.00 0.00 108 L 7.95 4.73 0.00 1.60 1.56 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.24 4.38 0.00 4.03 4.16 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 0.00 110 P 0.00 4.23 0.00 2.17 2.14 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 2.11 2.15 0.00 111 A 7.91 3.99 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 112 C 7.82 4.10 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.15 4.11 0.00 1.93 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.62 7.81 114 A 8.12 4.03 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 0.00 115 A 7.63 4.27 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 0.00 116 A 7.11 4.11 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 0.00 117 E 9.15 4.34 0.00 2.06 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 0.00 2.33 2.29 0.00 118 Q 7.97 4.77 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 119 S 8.58 5.22 0.00 3.84 3.60 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 0.00 0.00 0.00 0.00 120 W 9.10 4.74 0.00 2.97 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 0.00 121 S 8.81 4.88 0.00 4.20 3.73 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 0.00 0.00 0.00 122 L 8.44 4.04 0.00 1.52 1.61 0.65 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.31 4.55 0.00 3.78 3.66 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 0.00 124 A 8.52 4.13 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.64 4.18 0.00 1.66 1.61 0.93 0.75 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 0.00 126 T 8.17 4.20 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 1.20 0.00 0.00 127 L 8.01 4.47 0.00 1.59 1.57 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.47 0.00 2.29 2.20 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 129 H 8.84 3.80 0.00 3.17 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.10 0.00 2.07 2.09 0.00 3.63 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 2.07 2.03 0.00 131 L 7.85 4.13 0.00 1.86 1.81 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.74 3.49 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 0.94 0.00 0.00 0.89 0.00 0.00 133 R 7.74 3.89 0.00 1.91 1.54 0.00 2.83 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 134 V 7.67 3.89 2.21 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 1.31 0.00 0.00 1.14 0.00 0.00 135 L 8.30 3.94 0.00 1.86 1.61 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.17 3.69 2.25 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 1.30 0.00 0.00 0.75 0.00 0.00 137 A 8.33 4.01 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 0.00 138 E 8.33 3.39 0.00 1.16 1.66 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 1.68 1.89 0.00 139 S 8.46 4.29 0.00 4.41 4.33 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 0.00 140 L 8.45 4.21 0.00 2.34 2.30 1.53 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.34 3.55 0.00 2.78 2.97 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 0.00 142 R 8.34 3.90 0.00 2.28 2.21 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 143 A 8.25 3.86 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 0.00 144 W 8.50 3.99 0.00 3.45 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 0.00 145 S 8.16 3.29 0.00 3.93 3.75 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 0.00 146 I 7.46 3.57 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.78 0.00 0.00 147 T 7.35 3.78 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 1.10 0.00 0.00 148 T 6.65 4.09 3.86 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 0.57 0.00 0.00 149 N 7.29 3.99 0.00 2.69 2.78 0.00 0.00 7.02 7.74 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 0.00 150 H 7.61 4.53 0.00 3.08 2.79 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.50 0.00 2.11 2.07 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 152 Y 7.84 4.32 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.25 4.31 0.00 3.16 3.17 0.00 6.01 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 * Residues marked with a * may have inaccurate shift predictions.