NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.4548 8.2116 122.9402 51.8183 19.7866 179.4836 5 E 3.7150 8.3171 117.9240 55.7964 32.1679 174.3263 6 F 4.9820 7.3499 125.0454 57.1526 41.8599 174.3993 7 D 4.1275 9.7115 131.3590 55.0663 37.4439 176.0865 8 A 4.7150 9.1729 127.9378 51.9769 19.4203 178.7889 9 D 4.2625 6.9242 118.0421 56.4683 41.9937 177.2426 10 V 4.0689 7.8421 123.8465 61.6903 31.2819 173.1247 11 I 4.1663 7.9605 124.3122 59.9304 37.0088 174.3037 12 V 4.5517 8.1320 126.3286 61.9332 35.2097 172.5255 13 D 4.7199 8.2300 120.9673 53.3023 41.3396 173.6596 14 A 4.2275 7.8100 121.4442 51.9564 22.5593 173.7050 15 R 4.0449 10.0211 114.8744 56.2314 30.4133 173.1324 16 D 4.6049 7.1316 130.1003 53.4113 40.3292 175.7588 17 C 3.4175 6.0348 113.3533 54.7408 35.2677 172.5149 18 I 4.1482 7.8168 118.6830 59.5383 38.3298 175.5782 19 M 4.4839 7.9980 131.5135 55.3504 30.7790 174.8795 20 G 3.9311 7.2884 120.8326 45.8513 0.0000 175.9492 21 R 4.0489 8.3062 122.2243 60.7340 31.0568 177.8913 22 V 2.8968 7.4418 109.9965 65.6725 31.6814 177.3522 23 A 3.9223 6.6168 121.3660 57.2240 19.0152 182.0473 24 S 3.2527 7.2384 107.3831 59.4660 65.6400 175.7736 25 Q 3.8581 9.0490 119.6886 59.8094 28.8211 180.4376 26 V 2.9799 7.2832 115.0844 65.0110 32.8756 177.0490 27 A 3.7238 9.0786 120.0431 53.4052 18.2265 181.9422 28 E 3.3832 8.5132 113.0096 57.7354 30.4929 179.3048 29 Q 4.2228 8.5744 116.2476 57.4584 28.7985 178.1546 30 A 3.9429 12.0000 121.6567 54.3367 18.8270 178.7899 31 L 4.6015 7.8794 122.5214 52.8346 41.0247 180.8654 32 D 3.9150 9.3043 122.1069 57.3509 41.4597 173.0022 33 G 3.4325 9.1462 111.4501 45.5829 0.0000 172.0031 34 E 4.9044 7.5579 118.0616 54.5051 34.2755 177.0084 35 T 4.8285 8.2726 111.5083 59.5391 71.3917 173.5015 36 V 4.5306 8.4275 125.7895 61.0078 33.6164 173.0591 37 A 5.5759 8.5205 129.4178 49.0238 20.7057 175.7135 38 V 5.3563 9.1505 121.8866 61.8531 33.3223 178.8844 39 V 4.8573 9.7209 111.4554 58.9411 32.0474 168.4744 40 N 3.8519 9.7336 122.2074 53.3741 38.8852 179.4757 41 A 3.1680 8.7698 116.7791 52.5135 19.2873 179.4344 42 E 3.8359 7.8637 120.4064 60.7839 32.4126 179.4435 43 R 3.6839 8.8366 122.2352 59.6243 30.8679 175.9294 44 A 3.6631 8.1089 117.0905 49.5974 23.0098 175.3507 45 V 4.7677 6.7771 111.8737 63.0516 34.2244 172.8641 46 I 4.1315 8.1753 126.1941 62.0995 41.1854 174.9859 47 T 3.5099 7.6371 112.0832 59.4041 71.8179 172.3346 48 G 3.8279 8.6326 110.5496 46.1114 0.0000 176.2140 49 R 3.6253 9.2853 119.4392 60.4717 27.0325 177.1907 50 E 3.0750 8.5911 114.4375 57.5675 31.0255 182.1747 51 E 3.8285 8.0016 112.9862 54.9696 32.8207 181.9353 52 Q 5.3048 8.6412 133.0152 60.1349 28.2588 178.3940 53 I 3.5786 9.9286 120.4910 63.6878 38.0108 177.5216 54 V 3.7762 8.8425 116.0235 64.8514 31.6737 177.0059 55 E 4.1516 8.1241 118.9628 58.4613 29.2679 179.4796 56 K 4.3809 8.0841 116.7846 59.8766 32.4531 178.4116 57 Y 4.1127 8.2780 116.0353 60.2988 38.0711 177.5345 58 E 4.1425 8.6848 119.9638 58.6662 29.2978 179.0369 59 K 3.9802 7.9905 117.9084 58.6706 32.1092 178.1693 60 R 4.2799 7.6371 116.7676 57.5660 30.8744 177.4126 61 V 3.5085 7.4961 116.8717 65.2538 31.0525 175.3911 62 D 4.6434 6.7144 119.1880 53.3508 40.6685 177.7757 63 I 3.5267 6.8906 122.2473 61.5582 35.0258 174.2378 64 G 4.0493 7.6673 108.8452 43.5019 0.0000 170.5600 65 N 4.8790 10.5380 123.7270 52.8322 39.1810 176.6866 66 D 3.7928 7.5417 120.2530 54.7165 42.4472 178.2426 67 N 3.8741 7.7457 123.0458 55.2697 40.5957 175.0536 68 G 3.6152 12.0000 103.0101 44.7479 0.0000 171.1324 69 Y 3.8707 8.1293 109.4473 57.1909 36.4990 170.0679 70 F 3.9327 6.3558 115.9747 58.5698 39.3830 175.5734 71 Y 3.6229 9.0063 125.7558 57.9147 34.5532 166.7490 72 P 4.3361 0.0000 0.0000 61.3990 33.0847 175.8567 73 K 4.8476 8.2261 116.7839 55.0898 33.3388 176.5665 74 R 4.5903 8.2162 115.0793 54.9188 33.7109 174.3498 75 P 3.5997 0.0000 0.0000 64.4328 31.8758 181.4122 76 D 3.6474 6.6509 118.0901 56.1408 43.7613 178.0773 77 G 3.5261 9.5702 108.7454 46.8602 0.0000 178.2380 78 I 3.4333 8.3437 117.9755 63.9102 39.2507 176.3763 79 F 4.3386 8.5751 119.5625 59.5604 38.8817 177.3585 80 K 3.7897 10.7800 115.0614 60.0151 33.4381 180.0669 81 R 3.9639 8.5266 113.7359 57.5602 32.4874 181.7999 82 T 3.3136 10.0770 117.6770 62.3345 72.4913 176.0192 83 I 2.7434 6.5303 113.2117 60.7122 39.8135 177.5159 84 R 3.8367 5.8400 119.3335 57.9479 30.5367 177.4662 85 G 3.8245 9.3045 105.4472 48.0875 0.0000 174.4138 86 M 4.1438 10.6600 119.6405 57.9819 32.4162 177.1891 87 L 4.4770 7.1832 117.3825 53.5769 44.8156 174.9538 88 P 4.8894 0.0000 0.0000 63.5611 29.8193 177.2040 *90 K 4.6871 8.5155 117.4251 55.6541 33.0977 174.6596 91 K 4.2768 8.0354 116.2626 56.8792 34.6028 176.7076 92 Q 2.6970 9.3887 120.2242 56.6086 30.3704 176.9384 93 R 3.6153 8.7604 117.9285 58.8229 31.1604 178.9422 94 G 3.6517 7.7212 102.5482 47.4383 0.0000 177.2246 95 R 2.0000 8.8034 109.7197 56.5061 31.3420 179.4213 96 E 4.0777 9.0149 126.1009 61.4151 30.6828 178.0672 97 A 4.0212 9.4350 118.9440 54.3368 18.4695 178.4378 98 F 4.5275 12.0000 114.2372 58.3283 40.3487 177.4760 99 E 4.2422 8.8998 118.7238 59.0239 29.4076 178.8070 100 S 4.2846 8.0879 114.5142 60.6192 63.9923 174.5643 101 V 4.4169 7.4985 118.5792 61.8899 33.1828 175.4954 102 R 4.3947 8.1644 121.8943 55.4185 35.1656 174.1909 103 V 4.3765 7.2489 122.0123 61.7495 35.6686 172.6857 104 Y 4.7474 7.6605 117.6998 57.2980 42.4919 177.5269 105 L 4.0694 9.0923 123.6290 56.8370 40.5689 178.9659 106 G 3.5400 9.8329 104.9655 45.3458 0.0000 173.1699 107 N 4.4052 7.2695 120.2337 51.7548 41.8189 172.4819 108 P 4.2378 0.0000 0.0000 63.0787 33.0644 175.4794 109 Y 4.6547 7.0777 116.0225 57.6140 41.1656 176.4939 110 D 4.4001 7.7661 126.5261 55.7659 37.3080 176.8266 *131 T 4.1448 7.3445 112.4057 61.4588 70.4509 174.6077 132 L 4.9870 7.9043 129.7081 52.9077 42.5465 176.1609 133 G 4.4252 7.1261 102.5821 45.9313 0.0000 172.3130 134 E 4.4904 7.7896 119.3847 57.6384 32.5600 176.6940 135 I 4.2850 7.9052 118.2588 63.9645 38.7097 177.2101 136 S 4.2125 8.4532 106.9165 59.4987 60.8153 179.1941 137 E 3.0838 8.6370 116.3199 57.5331 31.7239 177.4486 138 T 3.6502 8.0247 107.3558 64.9325 69.4638 174.4285 139 L 4.7126 9.5527 123.7510 53.3296 40.8843 178.3397 140 G 4.8335 10.0021 121.6663 47.6334 0.0000 172.9534 141 A 4.8968 6.8094 126.2079 52.9577 18.6859 176.1414 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 A 8.21 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.32 3.72 0.00 2.07 1.76 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 2.28 2.38 0.00 6 F 7.35 4.98 0.00 2.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.71 4.13 0.00 2.86 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 0.00 0.00 0.00 8 A 9.17 4.71 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 6.92 4.26 0.00 2.83 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 10 V 7.84 4.07 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 0.89 0.00 0.00 0.32 0.00 0.00 11 I 7.96 4.17 1.89 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 1.27 0.80 0.95 0.00 0.00 12 V 8.13 4.55 2.10 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 1.10 0.00 0.00 0.95 0.00 0.00 13 D 8.23 4.72 0.00 3.00 2.49 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 14 A 7.81 4.23 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 15 R 10.02 4.04 0.00 1.93 2.13 0.00 3.28 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 1.47 1.44 0.00 16 D 7.13 4.60 0.00 2.87 2.79 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 17 C 6.03 3.42 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.82 4.15 1.84 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 1.26 1.38 0.89 0.00 0.00 19 M 8.00 4.48 0.00 1.75 2.27 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 20 G 7.29 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.31 4.05 0.00 1.93 1.91 0.00 3.47 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 22 V 7.44 2.90 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.84 0.00 0.00 23 A 6.62 3.92 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 24 S 7.24 3.25 0.00 4.07 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 25 Q 9.05 3.86 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 26 V 7.28 2.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 27 A 9.08 3.72 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 28 E 8.51 3.38 0.00 2.09 2.10 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 2.51 2.50 0.00 29 Q 8.57 4.22 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 30 A 12.00 3.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.88 4.60 0.00 1.90 0.89 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.30 3.92 0.00 2.69 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 33 G 9.15 3.43 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 34 E 7.56 4.90 0.00 1.97 1.79 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 2.21 2.20 0.00 35 T 8.27 4.83 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 1.16 0.00 0.00 36 V 8.43 4.53 2.05 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 0.98 0.00 0.00 0.91 0.00 0.00 37 A 8.52 5.58 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 38 V 9.15 5.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.99 0.00 0.00 39 V 9.72 4.86 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.04 0.00 0.00 40 N 9.73 3.85 0.00 3.02 3.15 0.00 0.00 7.53 7.16 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 41 A 8.77 3.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 3.84 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.27 0.00 43 R 8.84 3.68 0.00 1.78 2.06 0.00 3.30 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 44 A 8.11 3.66 1.68 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 0.00 0.00 45 V 6.78 4.77 2.28 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 1.07 0.00 0.00 0.79 0.00 0.00 46 I 8.18 4.13 1.75 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.86 0.00 0.00 47 T 7.64 3.51 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 1.19 0.00 0.00 48 G 8.63 3.83 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 0.00 0.00 0.00 49 R 9.29 3.63 0.00 1.90 2.34 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 50 E 8.59 3.08 0.00 2.07 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 2.34 0.00 51 E 8.00 3.83 0.00 2.08 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 2.38 2.38 0.00 52 Q 8.64 5.30 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.67 2.31 0.00 53 I 9.93 3.58 1.97 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 1.41 1.19 0.83 0.00 0.00 54 V 8.84 3.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 55 E 8.12 4.15 0.00 2.11 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 2.34 2.48 0.00 56 K 8.08 4.38 0.00 2.09 1.96 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.76 7.81 57 Y 8.28 4.11 0.00 3.05 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 58 E 8.68 4.14 0.00 2.21 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 2.71 0.00 59 K 7.99 3.98 0.00 2.27 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 60 R 7.64 4.28 0.00 2.09 2.38 0.00 3.70 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 61 V 7.50 3.51 2.33 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 0.78 0.00 0.00 1.06 0.00 0.00 62 D 6.71 4.64 0.00 2.76 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 63 I 6.89 3.53 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.60 0.00 0.00 64 G 7.67 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 0.00 0.00 0.00 65 N 10.54 4.88 0.00 4.16 3.13 0.00 0.00 6.62 7.96 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 66 D 7.54 3.79 0.00 2.83 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 67 N 7.75 3.87 0.00 2.67 2.70 0.00 0.00 7.21 7.98 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 68 G 12.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 3.87 0.00 3.22 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 70 F 6.36 3.93 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.01 3.62 0.00 3.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 4.34 0.00 2.13 2.05 0.00 3.66 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 2.07 2.16 0.00 73 K 8.23 4.85 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.66 7.81 74 R 8.22 4.59 0.00 1.81 2.35 0.00 3.55 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 75 P 0.00 3.60 0.00 1.94 1.81 0.00 3.59 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 2.06 2.14 0.00 76 D 6.65 3.65 0.00 2.70 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 77 G 9.57 3.53 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 0.00 0.00 0.00 78 I 8.34 3.43 2.47 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.71 1.03 0.00 0.00 79 F 8.58 4.34 0.00 3.34 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 80 K 10.78 3.79 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.84 1.64 7.81 81 R 8.53 3.96 0.00 2.07 1.02 0.00 3.22 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 82 T 10.08 3.31 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 1.45 0.00 0.00 83 I 6.53 2.74 1.85 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 2.29 0.69 1.05 0.00 0.00 84 R 5.84 3.84 0.00 2.06 2.36 0.00 3.27 0.00 0.00 3.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.32 0.00 85 G 9.30 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 0.00 0.00 0.00 86 M 10.66 4.14 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.80 0.00 87 L 7.18 4.48 0.00 1.49 1.47 0.80 -0.16 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 88 P 0.00 4.89 0.00 2.48 1.71 0.00 3.90 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 2.28 2.03 0.00 *90 K 8.52 4.69 0.00 1.75 1.86 0.00 1.53 0.00 0.00 2.24 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.24 7.81 91 K 8.04 4.28 0.00 1.81 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 92 Q 9.39 2.70 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 93 R 8.76 3.62 0.00 1.95 1.87 0.00 3.22 0.00 0.00 3.34 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 94 G 7.72 3.65 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 0.00 0.00 0.00 95 R 8.80 2.00 0.00 2.20 1.60 0.00 3.10 0.00 0.00 3.03 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.73 0.00 96 E 9.01 4.08 0.00 2.27 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 2.43 2.34 0.00 97 A 9.43 4.02 1.08 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 98 F 12.00 4.53 0.00 2.90 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 99 E 8.90 4.24 0.00 2.05 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 2.35 2.42 0.00 100 S 8.09 4.28 0.00 3.75 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 0.00 101 V 7.50 4.42 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 0.83 0.00 0.00 0.91 0.00 0.00 102 R 8.16 4.39 0.00 1.74 1.69 0.00 3.03 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 103 V 7.25 4.38 1.75 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 0.68 0.00 0.00 0.87 0.00 0.00 104 Y 7.66 4.75 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 0.00 105 L 9.09 4.07 0.00 1.65 1.17 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 G 9.83 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.27 4.41 0.00 2.67 2.75 0.00 0.00 6.79 8.02 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 0.00 108 P 0.00 4.24 0.00 0.49 1.66 0.00 3.74 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 1.97 1.91 0.00 109 Y 7.08 4.65 0.00 3.18 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 0.00 110 D 7.77 4.40 0.00 2.77 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 *131 T 7.34 4.14 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 1.20 0.00 0.00 132 L 7.90 4.99 0.00 2.02 2.02 0.88 0.99 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 0.00 133 G 7.13 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 0.00 134 E 7.79 4.49 0.00 1.95 1.85 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 2.27 2.32 0.00 135 I 7.91 4.28 1.82 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 1.23 1.26 1.02 0.00 0.00 136 S 8.45 4.21 0.00 3.92 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 0.00 137 E 8.64 3.08 0.00 2.12 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 2.36 2.34 0.00 138 T 8.02 3.65 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 1.25 0.00 0.00 139 L 9.55 4.71 0.00 1.70 1.85 1.50 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 140 G 10.00 4.83 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 0.00 0.00 0.00 141 A 6.81 4.90 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 * Residues marked with a * may have inaccurate shift predictions.