NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6402 8.1833 119.4841 56.2488 41.2337 174.6539 3 C 4.7573 8.2846 117.6204 59.7910 25.8595 172.0264 4 E 4.0972 7.9347 122.0985 59.5663 30.2723 178.8933 5 K 3.9979 8.2406 119.1451 59.4689 32.6318 180.3653 6 A 3.8210 7.3077 122.8827 51.6175 17.8438 179.2453 *8 E 4.2382 8.3130 121.4046 57.5582 31.1580 178.5358 9 L 3.7090 7.3286 118.6526 58.2247 41.9388 179.2235 10 I 4.1162 7.5732 119.3325 64.2913 37.0614 178.6247 11 R 3.9333 7.8902 118.5214 59.1421 29.7589 178.2918 12 E 3.9146 7.8292 117.6330 59.4642 29.7730 178.7612 13 L 4.1312 7.5143 119.1927 57.9765 41.5091 178.8784 14 H 4.1058 7.9791 117.0057 59.2768 29.9903 176.8113 15 R 4.0517 8.5514 117.6562 56.6409 30.3409 176.3404 16 A 4.1377 6.8194 120.6488 51.6466 19.1392 175.4741 17 P 4.1308 0.0000 0.0000 64.0440 31.4864 176.8483 18 E 3.7588 7.9216 124.5280 57.4625 27.1486 175.1339 19 G 4.1077 8.7361 113.8997 45.1201 0.0000 172.0031 20 Q 3.9885 8.1093 118.0594 56.1290 29.2749 176.6800 21 L 4.4894 8.1538 121.2849 52.5397 42.9403 174.4555 22 P 4.5506 0.0000 0.0000 61.3224 32.5157 175.8144 23 A 3.7449 8.0177 120.4190 52.0218 18.6154 177.2805 24 F 4.0898 8.5516 125.7234 58.6274 39.8697 174.3244 25 N 4.8601 8.4356 124.6419 51.4372 37.8730 175.7317 26 E 4.2455 8.9706 124.2964 59.2147 30.0721 178.5034 27 D 4.4728 8.1439 120.0196 57.0388 40.8004 178.6897 28 G 3.4407 7.8014 105.8061 47.5744 0.0000 175.5864 29 L 3.8555 7.4102 122.2182 57.1578 41.9515 179.1751 30 R 3.8870 7.9816 119.0391 59.6215 30.1840 178.3050 31 Q 3.9999 7.8953 117.5624 58.8964 28.3963 179.2471 32 V 3.5602 7.8486 118.8984 66.0377 31.7225 177.9996 33 L 4.1483 7.5876 116.5944 57.4169 41.6475 179.0017 34 E 4.1644 8.3700 119.4023 59.0523 29.4233 178.5937 35 E 3.7866 8.4567 119.3865 57.7588 30.5453 179.1099 *37 K 4.1570 8.0252 121.4217 56.5433 33.6046 177.0274 38 A 3.9982 8.1509 120.4474 55.1574 18.0748 179.1691 39 L 3.9170 8.9781 115.9654 58.2589 42.0152 179.6377 40 Y 4.1684 8.0598 118.5108 60.6130 38.8135 177.5690 41 E 3.7027 8.4793 119.6385 59.5454 29.6767 178.9848 42 Q 3.9113 8.1881 119.5724 59.2015 28.7866 178.1173 43 N 4.1907 8.0936 117.9124 56.7260 38.8803 176.5114 44 Q 3.8648 7.4330 118.1866 59.4233 29.0549 178.9895 45 S 4.1046 8.0469 113.5022 61.8897 62.3894 175.7923 46 D 4.3247 8.1758 121.1511 57.6599 40.6378 179.3990 47 V 3.6475 8.2245 118.7701 65.6705 31.4761 177.7012 48 N 4.4441 8.2990 116.5945 55.8346 38.5557 177.1920 49 E 4.0053 8.1745 119.2993 58.9723 29.2474 179.2272 50 A 4.0728 7.5880 120.2675 55.8908 18.6689 179.1258 51 K 3.9162 7.9656 116.1219 57.8808 33.2594 178.2165 52 S 4.5841 7.9219 119.7119 56.3420 62.0541 174.8031 53 G 4.4317 7.3877 106.3004 45.7673 0.0000 173.7494 54 G 3.8891 8.2517 106.2428 46.3287 0.0000 174.1113 55 R 4.3039 7.6865 122.7117 55.5336 28.9101 177.0377 56 S 4.5586 7.6547 113.2073 59.3555 63.6492 174.8488 57 D 4.5870 7.4985 120.8435 55.2334 39.2209 177.1324 58 L 4.3654 7.6570 120.1914 55.8586 42.2105 178.1861 59 I 3.6718 7.6446 120.9045 64.1295 36.9979 175.8352 60 P 4.2879 0.0000 0.0000 66.2659 31.2317 178.7101 61 T 3.8582 7.9426 113.6411 66.7962 68.4115 176.6129 62 I 4.1707 7.9204 123.2548 63.5425 37.1539 178.7397 63 K 4.0108 8.4863 119.9659 59.3520 31.8437 178.7447 64 F 4.0017 8.5500 121.3045 61.8285 39.2579 177.3464 65 R 4.1900 8.4255 117.2777 59.8099 29.9302 178.5999 66 H 4.2657 8.3821 117.6730 59.4383 29.7223 177.1718 67 C 4.1353 8.1085 118.5746 62.7284 27.8100 176.1857 68 S 4.0619 7.7678 117.0557 61.2567 62.3153 176.5995 69 L 3.9725 7.8540 121.7297 58.0236 41.3947 179.6672 70 L 3.9257 7.8791 118.7019 57.5204 41.3751 179.7036 71 R 3.7941 8.1343 118.8939 59.4815 30.0998 178.1959 72 N 4.2596 8.2786 116.4815 56.3067 38.5625 177.2712 73 R 3.8096 8.0842 119.9524 59.4870 30.2025 178.4136 74 R 3.8657 8.2399 118.7619 59.6323 29.9485 178.1685 75 C 4.1165 8.3716 116.9947 63.1699 28.0974 176.3340 76 T 3.9374 7.8881 111.3141 64.6782 68.3186 176.8566 77 V 3.5956 8.0322 120.9548 65.7198 31.5843 177.9313 78 A 4.0244 8.0819 120.6570 55.2513 18.0007 179.0201 79 Y 3.9847 8.3949 118.3927 60.8521 38.7531 178.2344 80 L 3.8829 8.4435 120.3849 57.8690 41.7530 178.8027 81 Y 4.0004 8.3986 119.6954 60.2127 38.6678 177.1849 82 D 4.1647 7.8818 118.9589 57.1873 41.2220 178.4009 83 R 3.7768 7.3930 118.5188 58.8470 29.8935 179.0137 84 L 3.3636 7.2204 118.9355 57.5177 41.2510 179.3140 85 L 3.6292 6.9565 117.6105 57.8132 41.7486 179.7122 86 R 4.0564 7.6949 117.7754 59.2909 30.0554 178.9799 87 I 3.7451 8.3446 120.6089 64.5232 37.2343 178.4994 88 R 4.1258 8.7941 119.6538 59.2799 29.9056 178.4562 89 A 4.3406 8.1297 120.9426 54.8732 18.3367 179.2304 90 L 4.2363 7.9083 117.5155 58.5075 41.8523 179.6271 91 R 4.3273 8.2362 117.2403 59.1031 29.7410 177.5748 92 W 4.7252 8.3359 115.4634 56.7850 29.6938 176.2025 93 E 4.5872 8.2795 118.0240 56.1780 30.6595 175.6180 94 Y 4.5231 8.5831 112.7983 57.2165 40.7573 174.9963 95 G 3.8775 7.9284 103.7398 44.1567 0.0000 173.0366 96 S 4.1881 8.5614 113.4550 60.5326 62.9796 174.1547 97 I 4.4006 7.4894 120.2050 58.9711 37.7959 175.2369 98 L 4.0173 8.2181 125.7251 53.6030 42.2010 175.9394 99 P 4.4179 0.0000 0.0000 62.5689 31.6081 177.3176 100 N 4.3798 8.5983 117.8739 55.6242 37.1865 177.2039 101 A 4.1263 7.8691 121.9200 54.2053 18.7931 178.6659 102 L 4.0158 7.5075 119.3606 58.0028 42.1589 178.8232 103 R 4.0727 7.9502 116.2379 59.3252 30.0419 178.0829 104 F 4.7464 7.8798 117.4193 59.7952 40.8067 175.0645 105 H 4.5519 8.4892 117.6211 54.8408 28.0058 173.6003 *107 A 3.8815 7.3500 122.8106 51.3385 20.0142 177.8332 108 A 4.0135 8.4800 123.1034 55.2539 18.7718 179.4654 109 E 4.4458 7.8550 112.4007 58.4498 30.2358 177.7155 110 E 4.1692 7.8994 119.8263 56.8975 29.1885 178.4861 *112 E 4.2772 8.3728 120.9127 56.0980 31.5869 177.2882 113 W 4.0412 8.2323 127.9341 60.4677 30.6120 177.5973 114 F 4.2051 8.7784 120.5479 61.5417 38.8347 176.8949 115 N 4.3243 8.2877 115.6105 56.2351 38.4067 177.0364 116 N 4.1638 7.9452 117.7698 56.4989 38.6216 176.2928 117 Y 3.7347 7.6006 120.9592 60.5674 38.6487 178.1834 118 K 3.2952 7.7906 119.2066 59.5814 32.1621 179.2230 119 R 3.7724 7.7952 117.7826 59.3402 29.9991 179.2390 120 S 4.0196 7.7365 114.7460 61.4174 62.6054 176.4510 121 L 3.8196 7.2285 121.2347 58.0849 41.8338 178.4364 122 A 4.0393 7.5642 119.0844 55.4826 18.3657 179.3533 123 T 3.9651 7.8122 112.9929 66.9326 68.7777 176.5925 124 Y 4.0874 8.1428 119.6717 58.9442 39.1365 177.9844 *126 R 4.6963 7.8437 117.5299 55.8783 31.8090 176.8862 127 S 4.3030 8.0503 113.3537 59.8252 63.2192 176.0475 128 L 3.6346 7.7239 120.0348 57.2935 41.4644 177.2959 129 G 4.1612 7.3098 104.4771 43.7561 0.0000 173.3367 130 G 4.0209 8.3853 110.0446 43.1973 0.0000 172.3411 131 D 4.2746 6.8418 125.9232 53.9049 43.7272 178.3775 132 E 3.9232 8.6940 116.4149 56.8668 30.1320 176.8456 133 G 3.9867 8.8368 105.1759 44.1234 0.0000 171.3483 134 L 4.5091 7.8806 119.5877 53.0482 43.7148 176.5018 135 D 4.5471 8.4804 126.1994 53.5128 39.8740 175.4037 136 I 4.3202 8.2119 117.7146 61.1960 37.6483 176.9993 137 T 4.6231 7.4485 109.6655 62.5046 69.3164 175.9481 138 Q 4.1583 7.9331 121.3563 58.7885 29.3313 175.8036 139 D 4.3353 7.8124 116.9173 53.9867 41.3896 176.0275 *141 K 4.0451 8.3269 124.4297 55.1329 33.1558 173.1449 142 P 3.9976 0.0000 0.0000 62.0473 31.5011 174.0985 143 P 4.2910 0.0000 0.0000 62.6494 30.7205 175.6580 144 K 4.3243 8.3215 125.0192 55.8237 33.1973 176.7896 145 S 4.2177 8.3028 120.0210 58.9322 63.8992 173.8676 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 F 8.18 4.64 0.00 3.10 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 3 C 8.28 4.76 0.00 3.14 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 4 E 7.93 4.10 0.00 1.91 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 2.49 2.47 0.00 5 K 8.24 4.00 0.00 1.88 1.82 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.43 7.81 6 A 7.31 3.82 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 *8 E 8.31 4.24 0.00 2.17 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 2.27 2.28 0.00 9 L 7.33 3.71 0.00 1.66 1.50 0.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.57 4.12 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.32 0.91 0.00 0.00 11 R 7.89 3.93 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 12 E 7.83 3.91 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 2.34 2.37 0.00 13 L 7.51 4.13 0.00 2.16 1.71 0.88 0.73 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 14 H 7.98 4.11 0.00 3.14 3.61 0.00 5.94 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 15 R 8.55 4.05 0.00 2.03 1.93 0.00 3.33 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 16 A 6.82 4.14 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 17 P 0.00 4.13 0.00 2.20 2.01 0.00 3.62 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 2.12 2.07 0.00 18 E 7.92 3.76 0.00 1.93 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 0.00 2.28 2.43 0.00 19 G 8.74 4.11 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 0.00 0.00 0.00 20 Q 8.11 3.99 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 21 L 8.15 4.49 0.00 1.51 1.54 0.86 0.92 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 22 P 0.00 4.55 0.00 2.19 2.05 0.00 3.80 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 1.95 0.00 23 A 8.02 3.74 0.99 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 0.00 0.00 24 F 8.55 4.09 0.00 3.17 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 25 N 8.44 4.86 0.00 2.75 2.89 0.00 0.00 6.31 7.32 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 26 E 8.97 4.25 0.00 2.36 2.52 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 2.44 2.45 0.00 27 D 8.14 4.47 0.00 2.76 2.73 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 28 G 7.80 3.44 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 0.00 29 L 7.41 3.86 0.00 1.59 1.69 0.89 0.97 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 30 R 7.98 3.89 0.00 2.20 1.89 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 31 Q 7.90 4.00 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.71 0.00 32 V 7.85 3.56 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 0.79 0.00 0.00 0.93 0.00 0.00 33 L 7.59 4.15 0.00 1.90 1.72 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.37 4.16 0.00 2.10 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 2.57 2.49 0.00 35 E 8.46 3.79 0.00 2.25 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 2.37 2.38 0.00 *37 K 8.03 4.16 0.00 2.00 2.00 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.50 7.81 38 A 8.15 4.00 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 39 L 8.98 3.92 0.00 1.81 1.87 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.06 4.17 0.00 3.06 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 41 E 8.48 3.70 0.00 2.18 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 2.39 2.64 0.00 42 Q 8.19 3.91 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 43 N 8.09 4.19 0.00 3.10 2.72 0.00 0.00 7.14 6.88 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 44 Q 7.43 3.86 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 45 S 8.05 4.10 0.00 3.84 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 46 D 8.18 4.32 0.00 3.02 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 47 V 8.22 3.65 2.18 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 1.01 0.00 0.00 0.90 0.00 0.00 48 N 8.30 4.44 0.00 2.96 2.82 0.00 0.00 6.87 8.34 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 49 E 8.17 4.01 0.00 2.16 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 2.38 2.36 0.00 50 A 7.59 4.07 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 51 K 7.97 3.92 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.74 7.81 52 S 7.92 4.58 0.00 3.86 3.82 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 53 G 7.39 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 54 G 8.25 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 0.00 0.00 0.00 55 R 7.69 4.30 0.00 1.97 1.83 0.00 3.08 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 2.05 1.55 0.00 56 S 7.65 4.56 0.00 4.09 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 0.00 57 D 7.50 4.59 0.00 2.89 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 58 L 7.66 4.37 0.00 1.70 1.73 0.99 0.85 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 59 I 7.64 3.67 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.93 0.92 0.00 0.00 60 P 0.00 4.29 0.00 2.17 2.15 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 61 T 7.94 3.86 4.37 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 1.14 0.00 0.00 62 I 7.92 4.17 2.07 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 1.54 2.08 0.92 0.00 0.00 63 K 8.49 4.01 0.00 2.01 1.90 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.66 7.81 64 F 8.55 4.00 0.00 3.28 3.20 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 0.00 65 R 8.43 4.19 0.00 2.32 2.09 0.00 3.35 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 1.80 1.93 0.00 66 H 8.38 4.27 0.00 3.46 3.49 0.00 5.78 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 67 C 8.11 4.14 0.00 3.04 2.81 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 68 S 7.77 4.06 0.00 4.02 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 69 L 7.85 3.97 0.00 1.80 1.68 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.88 3.93 0.00 1.75 1.65 0.87 0.60 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 71 R 8.13 3.79 0.00 1.97 1.98 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 72 N 8.28 4.26 0.00 2.99 2.84 0.00 0.00 6.73 8.42 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 73 R 8.08 3.81 0.00 1.84 2.05 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 74 R 8.24 3.87 0.00 1.91 2.03 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 75 C 8.37 4.12 0.00 3.11 2.93 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 76 T 7.89 3.94 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 1.23 0.00 0.00 77 V 8.03 3.60 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 1.06 0.00 0.00 1.03 0.00 0.00 78 A 8.08 4.02 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.39 3.98 0.00 3.03 3.15 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 0.00 0.00 0.00 80 L 8.44 3.88 0.00 1.95 1.74 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.40 4.00 0.00 3.06 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 82 D 7.88 4.16 0.00 2.87 2.60 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 83 R 7.39 3.78 0.00 1.69 1.79 0.00 2.21 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 84 L 7.22 3.36 0.00 1.05 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 L 6.96 3.63 0.00 1.59 1.56 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.69 4.06 0.00 1.93 1.93 0.00 3.04 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 87 I 8.34 3.75 1.96 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 1.40 1.33 1.28 0.00 0.00 88 R 8.79 4.13 0.00 1.83 2.07 0.00 3.11 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 89 A 8.13 4.34 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 90 L 7.91 4.24 0.00 2.19 1.90 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.24 4.33 0.00 2.31 2.24 0.00 3.20 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.02 0.00 92 W 8.34 4.73 0.00 3.42 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 93 E 8.28 4.59 0.00 1.98 2.13 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 2.16 1.55 0.00 94 Y 8.58 4.52 0.00 3.09 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 95 G 7.93 3.88 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 0.00 0.00 0.00 96 S 8.56 4.19 0.00 3.87 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 97 I 7.49 4.40 1.90 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 1.44 0.89 0.92 0.00 0.00 98 L 8.22 4.02 0.00 1.37 1.34 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.42 0.00 2.00 1.94 0.00 3.07 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.14 0.00 100 N 8.60 4.38 0.00 2.90 3.04 0.00 0.00 5.90 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 0.00 101 A 7.87 4.13 1.29 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 0.00 0.00 102 L 7.51 4.02 0.00 1.56 1.44 0.76 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.95 4.07 0.00 1.96 2.01 0.00 3.23 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 104 F 7.88 4.75 0.00 2.92 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 0.00 105 H 8.49 4.55 0.00 3.29 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 A 7.35 3.88 0.08 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 0.00 0.00 108 A 8.48 4.01 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 0.00 109 E 7.86 4.45 0.00 2.16 2.23 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 2.22 2.20 0.00 110 E 7.90 4.17 0.00 2.21 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 0.00 2.33 2.14 0.00 *112 E 8.37 4.28 0.00 2.27 2.20 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 2.31 2.34 0.00 113 W 8.23 4.04 0.00 3.66 3.50 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 0.00 114 F 8.78 4.21 0.00 3.44 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 0.00 115 N 8.29 4.32 0.00 2.80 2.84 0.00 0.00 7.12 6.92 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 0.00 116 N 7.95 4.16 0.00 2.73 2.61 0.00 0.00 6.62 7.33 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 0.00 117 Y 7.60 3.73 0.00 1.81 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 0.00 118 K 7.79 3.30 0.00 1.69 1.62 0.00 1.93 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 0.73 7.81 119 R 7.80 3.77 0.00 1.89 1.88 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 120 S 7.74 4.02 0.00 3.87 3.84 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 0.00 121 L 7.23 3.82 0.00 0.99 1.40 1.03 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.56 4.04 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 0.00 123 T 7.81 3.97 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 1.21 0.00 0.00 124 Y 8.14 4.09 0.00 3.05 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 *126 R 7.84 4.70 0.00 1.97 1.96 0.00 3.26 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 127 S 8.05 4.30 0.00 3.85 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 0.00 128 L 7.72 3.63 0.00 1.55 1.63 0.81 0.40 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 0.00 129 G 7.31 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 0.00 0.00 0.00 130 G 8.39 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 0.00 131 D 6.84 4.27 0.00 2.69 2.34 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 0.00 132 E 8.69 3.92 0.00 1.96 1.95 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 2.33 2.22 0.00 133 G 8.84 3.99 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 0.00 0.00 0.00 134 L 7.88 4.51 0.00 1.53 1.49 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.48 4.55 0.00 2.77 2.55 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 0.00 136 I 8.21 4.32 2.01 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 1.89 1.27 1.08 0.00 0.00 137 T 7.45 4.62 4.11 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 0.72 0.00 0.00 138 Q 7.93 4.16 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 139 D 7.81 4.34 0.00 2.71 2.64 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 *141 K 8.33 4.05 0.00 1.75 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 142 P 0.00 4.00 0.00 2.08 2.02 0.00 3.74 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 2.04 2.13 0.00 143 P 0.00 4.29 0.00 2.18 2.12 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 144 K 8.32 4.32 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 145 S 8.30 4.22 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.