NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.3289 8.1844 121.0032 55.7627 41.9512 175.2794 -3 Y 4.8048 8.1064 118.4383 55.1846 40.5673 174.8933 -2 F 3.8505 10.1797 128.4106 60.1964 40.0647 175.7086 -1 Q 4.5503 5.7417 116.8805 54.4203 28.9561 176.8208 0 G 3.6591 7.0371 108.8367 45.3441 0.0000 173.1668 -2 D 3.8705 10.2197 128.5106 56.6964 41.5647 176.2086 -1 L 4.5503 5.6200 118.8805 53.8203 41.9561 178.4209 0 T 4.0491 6.8571 113.6367 62.0441 69.8602 172.9668 5 K 4.4611 7.8416 119.4358 56.0229 34.5055 175.5984 6 Q 4.3013 7.5835 114.4224 54.1257 31.7095 174.0224 7 F 4.9525 7.9826 117.4165 55.0986 40.7158 174.4552 8 P 4.4835 0.0000 0.0000 62.3481 31.7919 176.2707 9 R 4.1657 8.5410 118.9311 55.6588 30.8197 176.9044 10 S 4.2565 8.4558 113.8808 57.9005 63.0668 173.2492 11 P 4.4586 0.0000 0.0000 65.4792 31.2435 178.1228 12 V 4.7460 7.6491 107.8363 60.2676 31.7097 175.7617 13 D 4.5990 7.7648 121.3641 53.2320 39.7225 176.1482 14 R 4.3399 8.1297 124.7035 55.3076 30.8922 176.1887 15 L 4.6026 7.8365 121.2141 54.4019 44.8157 176.6509 16 G 3.9784 9.8738 113.3276 46.5621 0.0000 173.1340 17 G 3.4532 7.3304 103.6526 45.6266 0.0000 172.9432 *19 D 4.3735 7.3359 118.1070 55.2168 42.8056 177.3211 20 H 4.1169 8.9651 121.2338 57.6302 30.9627 176.7818 21 L 3.3209 7.6655 120.5057 57.8648 41.8268 179.0503 22 K 3.9285 7.8950 117.8207 59.4519 32.0135 179.0684 23 R 3.8271 7.7861 118.6064 59.4626 30.0486 178.7840 24 V 3.7175 7.8689 119.1574 64.3169 31.4072 178.2103 25 I 3.9251 8.2060 121.2535 64.7565 37.0373 177.9394 26 D 4.3681 8.1261 119.3500 57.4047 40.6499 179.0968 27 K 4.0714 8.3888 118.8564 59.2775 32.0031 179.2899 28 A 3.2902 8.6783 121.6227 55.0032 18.2968 179.8932 29 R 3.9762 8.2707 116.4333 59.4512 30.1082 179.2104 30 A 4.0681 8.1584 120.6069 55.1728 18.3257 179.0694 31 H 4.0345 8.6202 117.2907 59.4725 29.6851 177.5366 32 V 3.3030 7.4767 118.3360 66.0111 31.3589 177.6607 33 A 4.2449 7.9031 118.9118 52.7922 18.2863 177.6605 34 G 3.8646 7.8124 104.8154 47.0705 0.0000 173.7201 35 T 4.7806 7.9543 106.6295 60.7908 69.1401 174.9059 36 L 4.2626 8.2238 122.6819 56.5984 43.4197 178.9361 37 G 3.7855 7.7989 106.4893 47.0080 0.0000 175.8164 38 E 4.1027 8.9213 123.2839 57.7647 29.6384 176.4065 39 Y 4.3837 7.7922 116.6816 57.5416 38.9141 174.9964 40 T 4.6981 8.2802 117.3172 62.0133 71.8040 173.3215 41 Y 4.3986 8.8368 127.7962 57.8948 39.5773 171.5431 42 N 3.8075 8.5254 131.0355 52.8349 37.4667 171.3682 *44 P 4.4471 0.0000 0.0000 62.1475 34.0741 179.2789 45 L 3.9525 7.8388 119.0887 58.2921 42.1053 178.4335 46 D 4.1409 8.0409 118.3387 57.4728 40.7310 178.7112 47 Q 4.1910 8.0586 117.7597 58.9132 28.7840 178.5212 48 A 4.1465 8.1992 121.8323 55.0526 18.5527 179.5268 49 F 3.8802 8.1482 118.6178 61.5302 39.4587 177.3612 50 F 4.4641 8.4074 117.8567 60.6763 38.7454 177.6337 51 S 4.1025 8.7659 113.1162 61.3970 62.0122 175.8958 52 F 3.7398 8.0167 121.9965 60.7749 39.1666 176.2039 53 F 4.6071 7.6100 113.5719 56.2845 39.3883 175.7531 54 G 3.8051 7.7164 106.1391 46.7236 0.0000 173.6871 55 L 4.6951 8.1068 118.7140 52.8116 43.8462 176.4563 56 D 4.6660 8.4548 121.2300 53.2366 42.8383 177.1567 57 H 3.1680 8.4891 123.1755 58.5340 28.3723 177.6130 58 E 3.9642 7.7824 120.6911 59.2610 29.4133 179.1738 59 K 4.0193 8.3288 118.0646 59.2869 32.2503 179.0483 60 F 3.3552 8.6289 121.1289 61.0324 39.1159 177.0816 61 A 3.8260 7.9095 119.3080 55.0518 18.4956 178.8929 62 E 3.7937 8.1751 117.6328 59.2553 29.1448 178.9350 63 A 3.5276 7.4898 121.0003 54.8687 18.1460 179.9606 64 V 3.4198 7.0692 110.3398 63.8165 31.2603 178.8059 65 K 4.1439 7.4817 117.7921 58.4634 31.8663 178.2489 66 S 4.8048 7.3424 110.5350 57.3744 63.3292 174.9505 67 R 4.5443 7.5043 122.7286 53.8227 30.0584 173.9939 68 P 4.3584 0.0000 0.0000 64.2339 32.4585 177.4486 69 Q 4.6513 7.2695 118.4772 53.8492 30.6764 176.0218 70 D 4.4272 8.9099 121.6343 57.8673 41.2528 178.4843 71 Q 4.1726 8.1230 117.2641 59.1105 29.0591 177.7105 72 D 4.7525 7.9741 117.1175 54.7167 40.7134 178.0955 *74 L 4.2019 8.1268 122.6824 55.1137 44.0030 178.5502 75 A 4.0406 8.1912 120.2831 54.7615 18.2176 179.4467 76 W 4.0017 8.3455 127.0146 60.5406 30.9432 178.1842 77 V 3.6633 8.2324 117.7527 66.6380 30.7212 177.4591 78 H 4.4244 8.3705 116.0134 58.3926 28.6308 177.7584 79 S 4.1687 7.9067 114.7589 60.6670 62.9283 175.5556 80 Q 4.3596 7.2290 119.4364 55.1941 29.7536 175.7771 81 S 4.4010 7.6497 114.1258 54.7937 63.6501 171.9695 82 P 4.2719 0.0000 0.0000 65.4902 31.0980 178.2040 83 R 3.9990 8.0285 117.2397 59.2832 29.9500 178.2967 84 S 4.5031 8.1918 113.0266 60.3290 62.8179 175.4255 85 K 4.5223 7.8154 120.7996 55.6701 32.3680 176.2251 86 N 4.8199 7.8980 119.5085 51.3764 40.0994 173.1422 87 P 4.3794 0.0000 0.0000 65.5501 31.4385 178.8359 88 K 4.0649 8.1982 117.0299 59.2921 31.9147 179.1145 89 E 4.1570 8.6404 119.2496 59.3846 29.3541 179.3513 90 V 3.9553 8.2020 118.3715 66.2723 31.5468 177.9531 91 E 4.0214 8.6701 118.5768 59.2226 29.2680 179.1360 92 S 4.1040 8.3565 113.4492 61.3997 62.4418 175.8104 93 F 3.3491 8.1654 123.2594 61.3141 38.8572 176.7536 94 N 4.2494 8.3859 115.9902 56.3473 38.1159 177.4129 95 R 3.8508 7.8689 119.0548 59.2982 30.5519 177.9345 96 E 3.9996 7.9978 119.1428 59.2580 29.5918 177.9941 97 Y 3.8944 7.7995 119.9457 60.8646 38.6109 178.0267 98 E 4.0475 8.3810 117.8661 58.3542 29.6709 178.5141 99 S 4.4667 7.5001 112.4550 58.1926 63.9216 174.6164 100 R 3.9449 7.3137 123.0410 56.8864 30.0719 175.9080 101 S 4.5162 8.2378 117.5617 55.2863 66.9881 172.0008 102 P 4.6572 0.0000 0.0000 63.6097 31.2212 176.1718 103 D 4.8147 8.9343 121.8730 53.0572 39.8940 176.3242 104 S 4.6338 7.4348 113.3669 56.3376 66.5915 173.7015 105 P 4.6312 0.0000 0.0000 65.5742 31.2123 178.5847 106 E 4.0195 8.3266 117.9135 59.5164 29.6151 179.0280 107 K 4.4277 8.4269 118.3594 59.0369 32.1313 179.2151 108 W 4.3698 8.7966 129.4604 60.5763 30.6381 177.6966 109 D 4.1805 8.5645 119.0520 57.4153 40.2420 178.1695 110 Y 4.3078 8.1086 119.4934 60.7799 38.8219 177.5903 111 F 3.5738 8.7083 121.9709 61.5637 39.3138 177.4333 112 R 3.9081 8.1574 117.3787 59.0554 29.6807 179.0078 113 S 4.0314 8.0895 113.2335 61.1352 62.2435 176.4247 114 V 3.4073 7.6419 120.9738 65.9891 31.3066 178.0105 115 R 3.6626 7.7476 118.6546 59.5161 29.6500 178.2325 116 D 4.5007 8.1810 118.3231 57.1373 40.8227 178.5976 117 S 4.2279 7.7196 113.8365 60.6326 63.0662 175.8654 118 L 4.4858 7.2233 121.5317 55.6556 43.3983 177.2768 119 A 4.5165 8.0903 122.3625 50.6980 20.5377 173.8448 120 P 4.7589 0.0000 0.0000 62.2884 32.4598 177.5266 121 G 3.8490 8.4133 105.9347 46.1587 0.0000 174.7786 122 R 4.6515 7.5459 120.1916 55.2953 29.2050 177.3678 123 T 4.2033 7.5385 106.5285 63.0924 69.7556 175.8805 124 D 4.4063 7.9402 121.0931 54.9365 40.0080 176.1359 125 I 4.2286 7.6210 122.0716 60.6337 36.9616 175.4123 126 T 4.2999 8.4262 113.7349 60.0478 70.3562 174.2274 127 T 4.4749 7.4472 113.1569 59.5863 72.5316 174.9788 128 W 4.5677 8.5068 123.2202 60.4219 29.2586 179.4966 129 V 3.7053 7.7992 111.6989 64.1216 30.9613 178.6391 130 K 4.0696 7.7482 118.2468 59.0424 31.8009 179.0813 131 L 3.8393 8.0282 120.8144 57.9805 41.9758 178.9467 132 L 3.9670 8.0898 118.8844 58.1055 41.5686 179.2863 133 D 4.3324 7.9540 118.1823 57.1098 40.7101 178.6834 134 L 3.8571 7.9352 120.8989 58.2233 41.9349 178.7373 135 E 3.9227 8.1671 118.0808 58.6149 29.4882 177.4241 136 E 3.0018 7.4865 116.6684 54.8624 29.8834 176.0125 137 K 3.8652 7.4443 116.3180 57.6572 30.1090 175.9153 138 R 4.6090 7.7084 116.5128 53.6529 31.9201 174.9509 139 P 4.3414 0.0000 0.0000 62.9812 31.8860 176.9322 140 V 3.9965 8.1013 121.3885 63.1530 31.7584 174.6619 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 -4 L 8.18 4.33 0.00 1.81 1.82 1.13 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.11 4.80 0.00 3.01 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 -2 F 10.18 3.85 0.00 2.85 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 -1 Q 5.74 4.55 0.00 1.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 0 G 7.04 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 0.00 0.00 0.00 -2 D 10.22 3.87 0.00 2.43 2.65 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 -1 L 5.62 4.55 0.00 0.60 1.43 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0 T 6.86 4.05 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 5 K 7.84 4.46 0.00 1.82 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 6 Q 7.58 4.30 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 7 F 7.98 4.95 0.00 3.10 2.91 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 8 P 0.00 4.48 0.00 2.06 1.84 0.00 3.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.20 0.00 9 R 8.54 4.17 0.00 1.87 1.93 0.00 3.18 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 10 S 8.46 4.26 0.00 3.88 3.77 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 11 P 0.00 4.46 0.00 2.36 2.40 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 12 V 7.65 4.75 2.16 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 1.05 0.00 0.00 0.98 0.00 0.00 13 D 7.76 4.60 0.00 2.69 2.76 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 0.00 0.00 0.00 0.00 14 R 8.13 4.34 0.00 1.88 1.87 0.00 3.25 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 15 L 7.84 4.60 0.00 1.66 1.45 0.94 1.32 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 16 G 9.87 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 0.00 0.00 0.00 17 G 7.33 3.45 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 0.00 0.00 0.00 *19 D 7.34 4.37 0.00 2.69 2.47 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 20 H 8.97 4.12 0.00 2.81 2.81 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.67 3.32 0.00 1.72 1.58 1.18 0.56 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 22 K 7.90 3.93 0.00 1.81 1.84 0.00 2.02 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.50 7.81 23 R 7.79 3.83 0.00 1.91 1.85 0.00 3.33 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 24 V 7.87 3.72 1.59 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 0.39 0.00 0.00 0.94 0.00 0.00 25 I 8.21 3.93 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.00 0.93 0.00 0.00 26 D 8.13 4.37 0.00 2.87 2.68 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 27 K 8.39 4.07 0.00 2.04 2.14 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.60 7.81 28 A 8.68 3.29 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 3.98 0.00 2.09 2.40 0.00 3.15 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 30 A 8.16 4.07 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 31 H 8.62 4.03 0.00 3.13 3.16 0.00 5.80 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 32 V 7.48 3.30 1.67 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 0.15 0.00 0.00 0.64 0.00 0.00 33 A 7.90 4.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 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 35 T 7.95 4.78 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 1.23 0.00 0.00 36 L 8.22 4.26 0.00 1.85 2.13 1.11 1.04 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 37 G 7.80 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 38 E 8.92 4.10 0.00 1.69 1.82 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 2.28 2.32 0.00 39 Y 7.79 4.38 0.00 3.29 3.03 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 0.00 0.00 0.00 0.00 40 T 8.28 4.70 4.30 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 1.27 0.00 0.00 41 Y 8.84 4.40 0.00 2.98 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 42 N 8.53 3.81 0.00 2.39 2.70 0.00 0.00 7.20 7.65 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 *44 P 0.00 4.45 0.00 2.17 2.09 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 1.95 2.05 0.00 45 L 7.84 3.95 0.00 1.70 1.67 0.95 1.31 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 46 D 8.04 4.14 0.00 2.59 2.32 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 47 Q 8.06 4.19 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 48 A 8.20 4.15 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 3.88 0.00 3.05 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 50 F 8.41 4.46 0.00 3.11 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 51 S 8.77 4.10 0.00 3.96 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 52 F 8.02 3.74 0.00 3.10 2.42 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 0.00 0.00 0.00 53 F 7.61 4.61 0.00 2.77 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 54 G 7.72 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.70 0.00 1.87 1.80 1.16 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 56 D 8.45 4.67 0.00 2.79 2.59 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 57 H 8.49 3.17 0.00 3.19 3.04 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.78 3.96 0.00 2.16 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 2.38 2.04 0.00 59 K 8.33 4.02 0.00 2.18 2.20 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.74 7.81 60 F 8.63 3.36 0.00 3.26 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 61 A 7.91 3.83 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 62 E 8.18 3.79 0.00 2.00 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 2.23 2.24 0.00 63 A 7.49 3.53 -0.35 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 0.00 0.00 0.00 0.00 0.00 64 V 7.07 3.42 1.91 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 0.25 0.00 0.00 0.80 0.00 0.00 65 K 7.48 4.14 0.00 1.70 1.78 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.84 1.38 7.81 66 S 7.34 4.80 0.00 4.00 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 67 R 7.50 4.54 0.00 1.83 1.79 0.00 3.02 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 68 P 0.00 4.36 0.00 2.16 2.16 0.00 3.72 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 1.97 1.97 0.00 69 Q 7.27 4.65 0.00 2.34 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 70 D 8.91 4.43 0.00 2.67 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 71 Q 8.12 4.17 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.23 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 72 D 7.97 4.75 0.00 2.87 2.68 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 *74 L 8.13 4.20 0.00 1.82 1.92 0.80 1.00 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 75 A 8.19 4.04 1.45 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 0.00 0.00 76 W 8.35 4.00 0.00 3.44 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 77 V 8.23 3.66 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 0.96 0.00 0.00 1.46 0.00 0.00 78 H 8.37 4.42 0.00 3.30 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.91 4.17 0.00 3.92 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 80 Q 7.23 4.36 0.00 1.56 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 81 S 7.65 4.40 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.27 0.00 2.18 2.08 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 83 R 8.03 4.00 0.00 1.83 2.01 0.00 2.80 0.00 0.00 2.83 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 84 S 8.19 4.50 0.00 3.87 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 85 K 7.82 4.52 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.56 7.81 86 N 7.90 4.82 0.00 2.79 2.92 0.00 0.00 7.17 7.85 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 87 P 0.00 4.38 0.00 2.24 2.13 0.00 3.68 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 88 K 8.20 4.06 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.57 7.81 89 E 8.64 4.16 0.00 2.47 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 0.00 2.56 2.50 0.00 90 V 8.20 3.96 2.36 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 1.25 0.00 0.00 1.17 0.00 0.00 91 E 8.67 4.02 0.00 2.32 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 2.38 2.38 0.00 92 S 8.36 4.10 0.00 4.13 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 0.00 93 F 8.17 3.35 0.00 1.51 2.91 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 94 N 8.39 4.25 0.00 2.97 2.95 0.00 0.00 6.74 8.15 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 95 R 7.87 3.85 0.00 1.80 2.09 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 96 E 8.00 4.00 0.00 2.06 1.77 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 2.26 2.29 0.00 97 Y 7.80 3.89 0.00 2.06 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 98 E 8.38 4.05 0.00 2.04 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 2.44 2.69 0.00 99 S 7.50 4.47 0.00 3.99 4.07 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 0.00 100 R 7.31 3.94 0.00 1.98 2.09 0.00 2.97 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 101 S 8.24 4.52 0.00 3.59 3.31 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 0.00 102 P 0.00 4.66 0.00 2.05 2.27 0.00 2.84 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.00 103 D 8.93 4.81 0.00 2.80 2.84 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 0.00 0.00 0.00 104 S 7.43 4.63 0.00 4.09 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 0.00 105 P 0.00 4.63 0.00 2.31 2.38 0.00 3.67 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 2.17 2.18 0.00 106 E 8.33 4.02 0.00 2.10 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 2.47 2.48 0.00 107 K 8.43 4.43 0.00 2.25 2.33 0.00 2.19 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.62 7.81 108 W 8.80 4.37 0.00 3.36 3.48 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 0.00 109 D 8.56 4.18 0.00 2.97 2.71 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 0.00 110 Y 8.11 4.31 0.00 3.16 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 0.00 111 F 8.71 3.57 0.00 2.77 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 0.00 112 R 8.16 3.91 0.00 1.71 1.82 0.00 2.86 0.00 0.00 2.76 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 113 S 8.09 4.03 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.41 1.77 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 0.75 0.00 0.00 0.50 0.00 0.00 115 R 7.75 3.66 0.00 1.50 1.73 0.00 3.36 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 116 D 8.18 4.50 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 0.00 117 S 7.72 4.23 0.00 3.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.22 4.49 0.00 1.62 1.69 0.86 0.64 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 0.00 119 A 8.09 4.52 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 0.00 120 P 0.00 4.76 0.00 2.16 2.17 0.00 3.74 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 1.96 1.93 0.00 121 G 8.41 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 0.00 122 R 7.55 4.65 0.00 1.98 1.86 0.00 3.28 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 123 T 7.54 4.20 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 1.21 0.00 0.00 124 D 7.94 4.41 0.00 2.81 2.83 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 0.00 125 I 7.62 4.23 2.02 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 1.36 0.58 0.95 0.00 0.00 126 T 8.43 4.30 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 1.17 0.00 0.00 127 T 7.45 4.47 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 1.11 0.00 0.00 128 W 8.51 4.57 0.00 3.38 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 0.00 129 V 7.80 3.71 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 0.27 0.00 0.00 0.85 0.00 0.00 130 K 7.75 4.07 0.00 2.06 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 131 L 8.03 3.84 0.00 1.50 1.84 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.09 3.97 0.00 1.96 1.75 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.95 4.33 0.00 2.84 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 0.00 134 L 7.94 3.86 0.00 1.78 1.78 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.17 3.92 0.00 1.89 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 2.21 2.27 0.00 136 E 7.49 3.00 0.00 1.77 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 1.47 2.05 0.00 137 K 7.44 3.87 0.00 2.07 1.98 0.00 1.97 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.44 7.81 138 R 7.71 4.61 0.00 1.87 1.85 0.00 3.42 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 139 P 0.00 4.34 0.00 2.04 2.00 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 140 V 8.10 4.00 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 0.79 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.