NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7665 8.2785 118.0773 53.4946 40.7760 173.5645 0 A 5.1238 8.2178 123.3097 49.5722 21.9708 174.1692 2 N 5.2464 9.0927 113.1217 52.1961 43.4741 172.6105 3 T 5.1734 9.0197 116.4839 60.3889 71.7584 172.1900 4 V 4.7313 8.4525 125.0802 60.9188 33.9271 174.7499 5 C 4.3905 9.0022 129.4193 59.4411 31.8086 174.3202 6 T 4.0406 8.8349 116.6142 63.4274 69.0380 175.3159 7 A 4.1571 7.5048 124.5885 54.1177 18.7559 176.9924 8 C 4.2440 7.1741 107.1386 59.2642 32.0444 172.9624 *10 A 4.1628 7.3898 120.2057 50.9344 20.3514 175.1593 11 T 4.5349 8.4828 117.9556 63.4389 69.6561 173.8559 12 N 4.9864 9.4552 123.6960 51.3675 41.7493 173.4081 13 R 4.6362 8.6357 124.5058 55.5184 31.3578 175.2719 14 L 4.9963 8.2839 124.3500 52.2268 46.7233 174.0886 15 P 4.6569 0.0000 0.0000 62.3775 32.0695 176.7905 16 E 3.9722 8.9535 122.7912 59.0309 29.4829 177.2430 17 E 4.4045 7.9365 119.1089 54.8000 29.4813 175.4954 18 R 4.4858 8.1013 123.0196 54.8922 31.6117 177.4222 19 I 3.8996 8.3283 122.5249 64.2182 37.4692 175.2934 20 D 4.6141 7.5502 116.2924 53.1186 41.3812 174.4412 21 D 4.9908 8.5978 118.2649 54.7322 41.2277 177.2394 22 G 3.9429 8.8481 106.8651 45.2469 0.0000 174.8097 23 A 4.1884 8.0101 122.4123 52.3304 19.4164 176.9348 24 K 4.9070 8.3206 119.5498 54.1032 35.6412 175.7666 25 C 4.2194 9.1072 124.4480 59.7923 31.8633 175.1483 26 G 3.5977 9.5519 115.7867 47.8146 0.0000 174.5237 27 R 4.2290 7.9798 119.3737 57.7812 30.5861 176.3005 28 C 4.6812 7.8665 107.9737 56.9111 30.8611 174.7084 29 G 3.9209 8.3761 109.1623 45.3678 0.0000 173.3485 30 H 4.3167 7.8351 120.5420 55.8972 31.0865 174.4910 31 S 4.4258 8.4498 121.4658 59.0371 63.0260 175.2399 32 L 3.5787 8.6048 125.7110 56.2189 41.7172 177.7878 33 F 5.0117 7.0398 116.6774 55.7274 39.0566 174.2341 34 D 4.5255 8.1287 118.4928 52.7303 40.4980 178.5862 35 G 3.8885 8.2483 107.5402 45.9549 0.0000 173.4361 36 E 4.3142 8.2548 118.9345 55.1207 30.5160 176.6328 37 V 4.0500 8.1158 121.9010 63.1521 32.7536 175.0105 38 I 4.5241 9.1492 127.5021 59.6604 39.7701 174.3331 39 N 5.3196 8.8826 124.5593 52.0556 39.1073 174.5555 40 A 4.6811 8.8583 127.0048 51.0428 20.8052 175.9360 41 T 4.6785 8.2858 108.8908 59.2273 72.0261 174.7970 42 A 4.0966 8.4753 123.9484 54.8322 18.3126 178.6632 43 E 4.2959 7.9038 113.0707 57.8879 30.5391 177.9631 44 T 4.3543 7.5871 109.3406 62.5397 69.8818 176.1893 45 L 3.8719 7.7785 123.5377 58.5006 41.8532 178.8396 46 D 4.3804 8.0241 116.6138 57.2709 41.1659 178.4804 47 K 4.1595 7.9952 118.6824 59.3064 32.1156 179.2357 48 L 4.0333 8.3077 119.8347 57.7266 41.3586 179.3423 49 L 4.0944 7.9684 117.4939 56.9766 41.5847 178.8533 50 Q 4.1480 7.6515 116.7347 56.6551 29.0860 176.0485 51 D 4.4835 7.4810 120.2210 54.5238 41.7331 175.9061 52 D 4.6070 8.8322 125.3230 55.8408 41.4429 177.4093 53 L 4.0697 8.1948 119.4993 54.0303 42.2616 175.7904 54 P 4.4673 0.0000 0.0000 62.6491 31.7683 174.8919 *56 V 4.3336 8.0198 116.6245 62.2329 33.2329 174.4937 57 I 5.0520 8.5913 123.8529 59.6269 40.5996 173.7069 58 D 4.8672 9.1854 127.9911 52.8103 42.4172 175.0405 59 F 5.2155 9.6605 127.1926 56.2464 40.4840 175.4250 60 W 5.7852 9.0356 120.2094 55.0600 32.2297 173.4248 61 A 4.5741 8.6123 120.0150 49.3724 21.8087 174.2864 62 P 4.4262 0.0000 0.0000 62.6983 32.6646 176.0325 63 W 3.6632 8.1515 116.4581 57.7081 26.2976 177.7015 64 C 4.8921 7.7245 116.5079 53.8634 45.0623 172.9820 65 G 3.7236 8.7718 115.6572 47.7074 0.0000 172.0552 66 P 4.3780 0.0000 0.0000 64.8708 31.3799 179.5559 67 C 4.3355 8.0957 115.3344 60.1025 40.0427 175.8504 68 R 3.8188 7.9939 118.6861 59.4604 29.7694 178.9731 69 S 4.3053 7.8867 112.5138 60.9918 63.4785 175.9413 70 F 4.3330 8.5169 124.2642 60.5475 38.9604 176.7411 71 A 3.7706 7.7831 121.0021 54.8187 18.1188 177.9173 72 P 4.1037 0.0000 0.0000 65.8466 31.3120 178.6644 73 I 3.5853 7.4005 119.3276 63.9169 37.0055 177.6890 74 F 3.9298 7.8228 121.6588 61.2428 39.2621 176.9265 75 A 3.7651 7.9744 120.2296 55.1534 17.9486 179.2509 76 E 3.7488 7.8924 116.4433 59.6091 30.0676 178.6938 77 T 3.8040 7.7393 115.5391 66.4002 68.5901 176.0478 78 A 2.5800 7.0390 122.3384 54.8711 18.0285 179.6635 79 A 3.9683 7.2911 117.1059 55.1892 18.4714 179.3055 80 E 4.1288 7.7047 115.7665 57.8763 29.8379 177.6823 81 R 4.6015 7.4595 117.9139 55.2434 31.0598 177.6774 82 A 3.9741 8.4874 123.5685 55.1251 18.2823 179.5771 83 G 3.5619 7.8800 101.2066 45.2549 0.0000 174.0105 84 K 4.3612 8.3410 118.3574 56.8547 34.7369 176.9929 85 V 4.5926 7.5868 115.5073 61.0380 34.5826 174.0044 86 R 4.8345 8.5004 125.3038 54.7327 32.2473 175.7243 87 F 4.7152 8.9094 121.1446 55.7575 41.6314 174.4573 88 V 5.0838 9.3188 124.1973 61.0037 34.7657 174.3782 89 K 5.1214 9.3190 125.7916 54.5950 36.3227 175.3435 90 V 4.4307 8.5480 123.0175 60.9817 34.6324 174.2968 91 N 3.7884 8.6601 127.5327 52.2874 38.1274 175.3633 92 T 3.8810 8.1838 118.1001 64.2732 68.9787 175.5978 93 E 4.0917 8.0846 120.9545 58.3650 29.9352 177.8178 94 A 4.0763 8.0259 120.8785 54.3074 19.4262 177.3533 95 E 4.7956 7.9832 114.0361 54.1723 30.1980 175.1320 96 P 4.3485 0.0000 0.0000 65.7940 31.8404 178.4729 97 A 4.0283 7.9878 118.9552 55.0837 18.3734 179.4644 98 L 4.1477 7.9643 117.0562 58.1451 41.8862 179.4901 99 S 4.2064 8.2985 113.0232 61.6438 62.2138 176.4788 100 T 3.8561 8.1863 118.4914 66.7154 68.0704 176.6101 101 R 3.8671 8.1624 119.5424 59.1796 30.0915 177.4873 102 F 4.3377 8.3395 114.2912 55.9313 40.1986 175.8289 103 R 3.7282 7.9043 117.1334 57.2316 27.8598 176.9532 104 I 3.8613 7.5853 117.2342 61.2798 37.9667 177.0683 105 R 4.5894 8.4774 122.4313 55.8625 32.0911 175.5808 106 S 4.7206 7.3686 110.0994 56.5160 66.1035 173.2186 107 I 4.8678 7.9718 114.5056 58.5864 39.9713 173.3254 108 P 4.9134 0.0000 0.0000 62.7689 33.1250 175.0851 109 T 4.6549 8.8678 116.8368 61.8652 71.2095 173.6298 110 I 5.5763 7.7597 124.9915 58.3722 40.8279 174.7936 *112 L 4.2984 8.2090 124.8360 55.4164 43.3474 175.0479 113 Y 5.0096 8.8563 123.1380 56.2244 40.6888 175.3455 114 R 4.5167 8.6610 122.5568 55.4587 33.3387 175.3325 115 N 4.2163 9.9904 121.9936 54.4484 36.0348 175.6014 116 G 4.2502 8.5712 104.2468 45.7871 0.0000 174.9713 117 K 4.4853 7.6625 122.4673 56.3989 30.8590 178.9204 *119 I 4.0085 8.4340 125.0300 61.9615 39.0399 174.3392 120 D 4.3775 7.1920 116.7488 54.1717 44.9080 174.2105 *122 L 3.7810 8.0667 116.1186 54.4894 42.8717 177.3184 123 N 4.1794 8.7672 120.8194 55.3523 37.5313 174.8191 124 G 3.9919 7.2896 104.5297 42.0417 0.0000 171.4189 125 A 3.3227 8.0985 121.2235 52.6264 18.5904 177.2221 126 V 4.5164 7.5390 111.9336 58.1372 36.0780 173.8452 127 P 4.6597 0.0000 0.0000 61.8078 33.2413 177.7869 128 K 4.1651 8.6063 118.9101 59.8082 32.0271 178.4832 129 A 4.0564 8.0507 120.5203 54.9592 18.4418 177.8101 130 P 4.3335 0.0000 0.0000 65.2558 31.4262 178.7388 131 F 4.6827 8.5453 119.9388 61.6609 39.4075 176.7583 132 D 4.2773 9.0881 119.2301 57.5928 40.5675 178.7239 133 N 4.3788 8.6524 117.2100 55.9234 38.4483 177.2938 134 W 4.2378 8.5297 129.7753 60.4499 30.7774 177.8072 135 L 3.3742 8.0290 118.8531 57.9594 41.1976 179.3297 136 D 4.2523 8.0731 118.5285 57.2478 40.4950 178.6374 137 E 3.8695 8.0218 118.8142 59.4858 29.6690 178.6232 138 Q 3.9433 7.9599 118.3248 58.8052 28.4091 178.7104 139 L 3.9828 7.8837 119.6736 56.9322 41.7755 178.7550 140 S 4.3180 7.5971 112.1081 58.5894 63.7766 174.7154 141 R 3.9287 6.6905 122.7239 56.3052 30.4216 175.0616 142 D 4.5699 8.3531 123.1824 52.8711 42.1031 174.4700 143 P 4.4189 0.0000 0.0000 62.8877 31.3207 176.1458 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 N 8.28 4.77 0.00 2.80 2.83 0.00 0.00 6.80 6.37 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 A 8.22 5.12 1.27 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 0.00 0.00 0.00 2 N 9.09 5.25 0.00 2.63 2.67 0.00 0.00 6.83 7.14 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 3 T 9.02 5.17 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 1.21 0.00 0.00 4 V 8.45 4.73 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 0.79 0.00 0.00 1.00 0.00 0.00 5 C 9.00 4.39 0.00 3.00 2.87 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 0.00 0.00 0.00 6 T 8.83 4.04 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 1.23 0.00 0.00 7 A 7.50 4.16 1.02 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 8 C 7.17 4.24 0.00 3.05 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 *10 A 7.39 4.16 1.27 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 0.00 0.00 0.00 11 T 8.48 4.53 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 1.22 0.00 0.00 12 N 9.46 4.99 0.00 2.50 2.65 0.00 0.00 6.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.64 4.64 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 14 L 8.28 5.00 0.00 1.65 1.56 1.09 1.13 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 15 P 0.00 4.66 0.00 2.20 1.99 0.00 3.74 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 2.05 2.12 0.00 16 E 8.95 3.97 0.00 1.95 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 0.00 2.36 2.40 0.00 17 E 7.94 4.40 0.00 1.94 1.90 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 2.22 2.29 0.00 18 R 8.10 4.49 0.00 1.73 1.96 0.00 3.41 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 19 I 8.33 3.90 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.91 0.00 0.00 20 D 7.55 4.61 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.60 4.99 0.00 2.67 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 22 G 8.85 3.94 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 23 A 8.01 4.19 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 24 K 8.32 4.91 0.00 1.59 1.79 0.00 1.93 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.32 7.81 25 C 9.11 4.22 0.00 2.93 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 26 G 9.55 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 0.00 0.00 0.00 27 R 7.98 4.23 0.00 1.77 1.94 0.00 3.17 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 28 C 7.87 4.68 0.00 3.05 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 29 G 8.38 3.92 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 0.00 0.00 0.00 30 H 7.84 4.32 0.00 3.24 3.17 0.00 5.88 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.45 4.43 0.00 3.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 3.58 0.00 0.71 0.75 0.73 0.92 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 33 F 7.04 5.01 0.00 2.91 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 34 D 8.13 4.53 0.00 2.75 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 35 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 36 E 8.25 4.31 0.00 2.09 1.89 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 2.48 2.39 0.00 37 V 8.12 4.05 2.09 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 0.86 0.00 0.00 0.95 0.00 0.00 38 I 9.15 4.52 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.93 0.00 0.00 39 N 8.88 5.32 0.00 2.62 2.85 0.00 0.00 7.02 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 40 A 8.86 4.68 1.14 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 0.00 0.00 41 T 8.29 4.68 4.49 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 1.21 0.00 0.00 42 A 8.48 4.10 1.35 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 43 E 7.90 4.30 0.00 2.04 2.09 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 2.27 2.38 0.00 44 T 7.59 4.35 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 45 L 7.78 3.87 0.00 1.84 1.74 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.02 4.38 0.00 2.72 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 47 K 8.00 4.16 0.00 1.95 1.85 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 48 L 8.31 4.03 0.00 1.82 1.70 0.91 0.50 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 49 L 7.97 4.09 0.00 1.72 1.67 0.85 0.63 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 50 Q 7.65 4.15 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 51 D 7.48 4.48 0.00 2.82 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 52 D 8.83 4.61 0.00 2.85 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 53 L 8.19 4.07 0.00 1.80 1.65 1.13 1.39 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 54 P 0.00 4.47 0.00 2.10 1.97 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 *56 V 8.02 4.33 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 0.33 0.00 0.00 1.62 0.00 0.00 57 I 8.59 5.05 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.26 0.33 0.00 0.00 58 D 9.19 4.87 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 59 F 9.66 5.22 0.00 2.87 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 60 W 9.04 5.79 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 61 A 8.61 4.57 1.15 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 0.00 0.00 62 P 0.00 4.43 0.00 1.79 1.80 0.00 3.73 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.88 0.00 63 W 8.15 3.66 0.00 3.66 3.12 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 64 C 7.72 4.89 0.00 3.04 3.21 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 0.00 65 G 8.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.15 2.08 0.00 3.63 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 2.10 2.17 0.00 67 C 8.10 4.34 0.00 3.27 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 68 R 7.99 3.82 0.00 1.98 2.00 0.00 3.16 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 69 S 7.89 4.31 0.00 4.06 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 70 F 8.52 4.33 0.00 3.06 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 71 A 7.78 3.77 1.14 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 0.00 0.00 72 P 0.00 4.10 0.00 2.20 2.25 0.00 3.63 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 2.09 1.99 0.00 73 I 7.40 3.59 1.61 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.79 0.00 0.00 74 F 7.82 3.93 0.00 2.50 2.95 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 75 A 7.97 3.77 1.27 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 0.00 0.00 0.00 76 E 7.89 3.75 0.00 1.94 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 2.25 2.27 0.00 77 T 7.74 3.80 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 78 A 7.04 2.58 0.87 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 0.00 0.00 0.00 0.00 0.00 79 A 7.29 3.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.70 4.13 0.00 2.02 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 2.28 2.41 0.00 81 R 7.46 4.60 0.00 2.01 1.96 0.00 3.38 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 82 A 8.49 3.97 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 83 G 7.88 3.56 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 0.00 0.00 0.00 84 K 8.34 4.36 0.00 1.68 1.76 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.41 7.81 85 V 7.59 4.59 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 0.41 0.00 0.00 0.89 0.00 0.00 86 R 8.50 4.83 0.00 1.73 1.88 0.00 3.21 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 87 F 8.91 4.72 0.00 2.69 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 0.00 0.00 0.00 88 V 9.32 5.08 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 0.84 0.00 0.00 0.96 0.00 0.00 89 K 9.32 5.12 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.20 1.58 7.81 90 V 8.55 4.43 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 0.85 0.00 0.00 0.38 0.00 0.00 91 N 8.66 3.79 0.00 2.18 2.42 0.00 0.00 6.92 7.22 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 92 T 8.18 3.88 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 1.35 0.00 0.00 93 E 8.08 4.09 0.00 1.98 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 2.24 2.37 0.00 94 A 8.03 4.08 1.21 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 0.00 0.00 0.00 95 E 7.98 4.80 0.00 2.03 1.86 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 2.16 2.34 0.00 96 P 0.00 4.35 0.00 2.16 2.11 0.00 3.60 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 97 A 7.99 4.03 1.35 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 98 L 7.96 4.15 0.00 2.02 1.92 0.90 0.97 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 99 S 8.30 4.21 0.00 3.97 4.06 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 0.00 0.00 0.00 100 T 8.19 3.86 4.44 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 1.22 0.00 0.00 101 R 8.16 3.87 0.00 1.92 2.31 0.00 3.24 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 0.00 102 F 8.34 4.34 0.00 2.92 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 0.00 103 R 7.90 3.73 0.00 1.88 1.93 0.00 3.12 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 104 I 7.59 3.86 1.78 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.36 0.85 0.00 0.00 105 R 8.48 4.59 0.00 1.72 1.90 0.00 3.33 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 106 S 7.37 4.72 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 0.00 107 I 7.97 4.87 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.94 0.00 0.00 108 P 0.00 4.91 0.00 2.00 2.12 0.00 3.62 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 1.73 1.84 0.00 109 T 8.87 4.65 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 110 I 7.76 5.58 1.63 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.35 1.22 0.00 0.00 *112 L 8.21 4.30 0.00 1.76 1.59 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.86 5.01 0.00 3.03 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 0.00 114 R 8.66 4.52 0.00 1.79 1.79 0.00 3.22 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 1.54 1.55 0.00 115 N 9.99 4.22 0.00 2.87 2.91 0.00 0.00 7.22 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 0.00 116 G 8.57 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.66 4.49 0.00 1.91 1.27 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 *119 I 8.43 4.01 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.83 0.00 0.00 120 D 7.19 4.38 0.00 2.76 2.75 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 *122 L 8.07 3.78 0.00 1.18 1.11 0.40 -0.29 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 0.00 123 N 8.77 4.18 0.00 2.75 2.88 0.00 0.00 5.82 7.00 0.00 0.00 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 G 7.29 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 0.00 125 A 8.10 3.32 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 4.52 2.14 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 0.71 0.00 0.00 1.09 0.00 0.00 127 P 0.00 4.66 0.00 2.23 2.04 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 2.16 2.18 0.00 128 K 8.61 4.17 0.00 1.89 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.67 7.81 129 A 8.05 4.06 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 0.00 130 P 0.00 4.33 0.00 2.30 2.20 0.00 3.81 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 2.18 2.21 0.00 131 F 8.55 4.68 0.00 3.43 3.49 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 0.00 132 D 9.09 4.28 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.65 4.38 0.00 2.95 2.94 0.00 0.00 6.67 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 0.00 134 W 8.53 4.24 0.00 3.44 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.03 3.37 0.00 1.74 1.51 0.62 0.72 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 0.00 136 D 8.07 4.25 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 0.00 137 E 8.02 3.87 0.00 1.96 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 0.00 2.28 2.35 0.00 138 Q 7.96 3.94 0.00 1.44 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 1.83 1.43 0.00 139 L 7.88 3.98 0.00 1.48 1.63 0.80 0.75 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 0.00 140 S 7.60 4.32 0.00 4.01 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 0.00 141 R 6.69 3.93 0.00 1.98 1.86 0.00 3.23 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 142 D 8.35 4.57 0.00 2.66 2.54 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 0.00 143 P 0.00 4.42 0.00 2.07 1.94 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.