NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.6210 8.4249 118.2159 52.8151 38.5283 174.0237 15 S 4.4067 8.2682 118.5078 55.5688 65.0064 169.9583 16 E 3.9929 8.6460 122.6211 56.0987 30.4966 175.7999 17 L 4.0915 8.3812 128.7386 54.4542 43.1035 176.7346 18 L 4.1604 8.3777 127.0903 54.7335 44.0811 177.2348 19 E 3.9497 8.8706 125.5741 59.8594 29.6392 179.0807 20 E 3.9652 8.3499 118.4351 59.9159 29.5134 178.9048 21 Q 4.4296 7.9816 118.3474 57.7793 28.7469 178.1373 22 K 4.0460 8.5428 120.2356 59.9514 32.1288 179.1705 23 Q 4.2162 8.3120 117.8443 59.1214 28.1371 178.5543 24 E 4.0570 7.9164 118.2605 59.6197 29.5035 179.3775 25 I 3.9873 8.0677 119.7113 64.7272 37.2688 177.3226 26 Y 4.5869 8.1437 121.3482 60.4052 38.5809 178.0045 27 E 3.7128 9.2204 119.2328 59.6148 29.6631 179.0745 28 A 4.3212 8.5153 120.6656 55.6162 18.2243 179.4121 29 F 3.6860 8.3832 117.1201 61.4604 39.5484 177.2287 30 S 4.0882 8.3659 114.9788 61.7271 62.4303 176.8170 31 L 3.7096 8.1021 120.4123 56.6203 41.1744 178.1818 32 F 4.8133 7.1937 115.1151 57.0042 39.2177 174.9610 33 D 4.4157 7.3579 120.9381 53.6628 41.6267 176.7734 *35 N 4.5887 8.4165 119.5006 51.3905 39.1132 173.5681 36 N 4.3124 7.7297 115.3693 55.1802 37.2702 173.5898 37 D 4.7147 8.3340 112.2658 52.6214 40.0351 176.6861 38 G 3.8813 8.4320 106.1188 46.9763 0.0000 173.9188 39 F 5.5708 8.0759 116.7214 55.5699 42.1311 174.4418 40 L 4.8645 8.5995 121.8127 53.0971 43.9032 176.5204 41 D 4.9933 9.0335 122.7910 51.6505 43.1390 176.4318 42 Y 4.0950 8.4995 118.3704 61.6735 38.4047 177.4888 43 H 3.8517 8.2514 115.8879 59.2074 28.9906 177.5428 44 E 3.9150 8.4035 119.9287 59.2207 29.0720 179.1057 45 L 3.9489 8.1391 119.6496 57.9550 42.2122 178.4492 46 K 3.8615 8.1017 118.8504 59.7308 32.1115 178.7896 47 V 3.6534 7.2410 110.9235 63.5269 31.5802 178.6180 48 A 3.8845 7.9608 117.7358 53.1240 18.2518 179.1000 *50 K 4.0760 8.0877 121.4686 57.6338 34.0848 178.1911 51 A 4.0901 7.6335 120.8439 54.1814 18.4958 178.0269 52 L 4.5150 8.0169 115.0010 54.4485 42.0904 178.4886 53 G 3.7245 7.7405 109.0941 45.6062 0.0000 174.7866 54 F 4.3841 7.0610 119.2381 57.2907 39.0956 174.8965 55 E 4.5017 8.7072 126.2382 54.1809 30.0904 173.8854 56 L 4.6995 8.1141 124.3892 52.2310 43.7732 175.2387 57 P 4.0972 0.0000 0.0000 61.6731 33.1227 176.3952 58 K 3.9671 9.1042 123.2877 60.1552 31.9786 178.5679 59 R 3.8247 7.8908 117.6437 59.7782 29.9484 177.7250 60 E 4.1214 7.7211 117.0921 59.8260 29.7568 179.4651 61 I 3.8916 7.9427 119.3420 64.4179 37.2498 178.1437 62 L 4.0019 8.1833 119.1796 58.3315 41.4811 179.1168 63 D 4.4053 8.1798 118.3948 57.6049 40.8292 179.2635 64 L 4.0752 8.2169 119.3280 57.9431 41.6413 179.4520 65 I 3.8241 7.9159 119.2175 64.7106 36.8589 177.7689 66 D 4.3884 8.5261 118.6178 57.5301 40.7254 178.5344 67 E 3.9086 7.8951 118.3897 59.1369 29.8258 177.6999 68 Y 4.4899 7.8284 113.7621 57.9169 40.0390 176.4654 69 D 4.6857 8.0478 121.1521 53.8761 38.9473 175.8187 70 S 4.4326 7.7832 113.3834 58.5231 64.2670 175.9544 71 E 3.8787 7.9832 122.3270 57.2676 29.6954 177.3940 72 G 3.9934 7.5609 104.0878 46.8544 0.0000 172.7955 73 R 3.3508 8.4324 116.7301 58.1367 27.4809 176.1136 74 H 4.2699 8.3923 108.5204 57.3263 27.3622 174.3335 75 L 4.7241 7.2023 124.3437 53.5251 42.9971 178.5600 *77 K 4.6394 8.4202 124.8843 57.2913 34.4936 175.4940 78 Y 3.5908 8.5899 122.5645 60.7806 38.4631 178.3579 79 D 4.2232 8.1025 119.1537 57.6207 40.9370 177.9193 80 D 4.1552 8.2230 118.4679 57.4661 40.5959 178.4768 81 F 3.9530 7.8689 119.9605 61.7222 39.4859 176.4458 82 Y 3.9294 8.1165 117.6544 60.7322 38.5720 177.7536 83 I 3.7378 7.6328 119.3948 64.4704 37.5102 178.6720 84 V 3.4687 7.3686 114.6469 64.0787 30.9238 177.4300 *86 G 3.5668 7.9341 106.8431 45.4038 0.0000 175.3319 87 E 3.8368 8.1026 119.7442 58.8747 29.2481 179.0321 88 K 3.7091 7.7766 117.9676 59.0928 32.0226 178.8396 89 I 4.1469 7.5800 118.0825 64.4473 36.9498 177.6113 90 L 4.1191 7.6943 119.0756 58.0044 41.5279 179.3716 91 K 4.2297 8.2506 114.7763 57.3646 31.9807 177.3375 92 R 4.1359 7.3890 119.4689 55.1903 30.8550 175.2479 93 D 4.3440 8.7278 123.9910 53.9758 41.2009 175.1515 94 P 4.4308 0.0000 0.0000 64.5677 31.7508 177.7612 95 L 4.1927 7.8668 119.1345 56.5956 42.7684 178.6836 96 D 4.3388 8.2761 119.1622 56.9790 40.5903 177.8385 97 E 3.8198 8.2522 119.5671 59.7386 29.4448 179.1355 98 I 3.7922 7.2060 118.8420 64.1504 37.1680 178.4337 99 K 3.7926 8.2532 119.7282 59.6001 32.0212 179.2899 100 R 3.8412 8.1118 118.5096 59.2031 29.8518 178.1156 101 A 3.9688 7.5245 119.2337 55.2941 18.0117 179.3687 102 F 4.2528 7.8361 118.8255 61.6974 39.2510 177.3777 103 Q 3.8454 7.9515 115.9341 58.4577 28.4582 178.2673 104 L 4.1671 7.3559 118.8797 56.9057 42.0514 178.7262 105 F 4.3787 7.6562 117.3178 59.4549 40.1814 176.2431 106 D 4.5522 7.4772 118.7671 53.3798 38.7740 175.7923 107 D 4.2498 8.2253 123.4308 56.8193 41.6637 178.0874 108 D 4.3821 7.9694 119.7731 54.6056 40.0992 175.8374 109 H 4.7192 7.8038 116.3373 56.1657 26.6695 174.7371 110 T 4.1284 7.9780 109.7508 64.3965 69.9977 175.9395 111 G 4.2939 8.6008 109.5020 44.9778 0.0000 173.9069 112 K 4.8205 7.3719 117.7732 54.2461 35.1287 175.8985 113 I 3.9294 8.6522 124.5186 61.1135 37.5802 175.7674 114 S 4.7676 8.2953 119.5933 56.0007 65.7173 174.7873 115 I 3.7008 8.1121 119.8089 63.6621 37.7697 177.3065 116 K 4.2657 8.0954 117.5102 58.4324 32.4959 176.8406 117 N 5.0177 8.2107 116.1428 53.0072 39.6535 173.8923 118 L 4.6826 7.6587 119.2006 56.4298 44.2712 178.3889 119 R 3.9200 8.7243 118.6178 59.6151 29.6494 178.4596 120 R 3.7095 7.7790 117.1854 59.2675 30.3043 177.6059 121 V 3.8921 7.6899 116.8133 65.3444 31.7987 177.2010 122 A 4.1008 8.3464 119.4999 55.5045 18.4278 179.4479 123 K 4.1286 8.8313 117.4904 59.4906 31.8902 179.5923 124 E 4.5505 7.4949 115.5598 55.6055 30.4622 177.3453 125 L 4.7836 7.9262 118.7259 51.4786 44.1017 176.6701 126 G 3.8726 7.5602 119.4184 46.1327 0.0000 173.1106 *136 A 3.9536 8.7428 123.4041 51.8295 18.7994 177.0621 *138 I 4.1501 7.1728 125.5532 61.5232 39.8113 178.7951 139 E 3.7719 8.1566 118.4915 58.8788 29.8564 179.8072 140 E 3.4537 6.8622 119.5968 58.5233 29.9983 179.2269 141 F 5.1512 7.5612 115.9391 57.1645 40.0372 174.2820 142 D 4.9955 8.6235 120.3152 52.8191 42.4334 175.6750 143 L 4.6953 8.9460 125.4054 54.3409 41.6872 176.4539 144 D 4.4830 8.3815 116.9732 54.0731 41.6026 175.2317 *150 N 4.6229 7.8599 113.6938 51.4514 37.9444 175.5976 151 E 2.9794 7.8979 119.1797 58.6587 30.0902 178.9566 152 N 4.4310 8.1495 115.5199 56.2673 39.1269 176.3677 153 E 4.0274 9.0887 117.9714 59.1122 29.6419 178.5342 154 F 3.8046 7.5778 120.5008 61.6759 39.0373 177.0121 155 I 3.7837 7.5088 119.6485 64.5211 37.0828 177.9629 156 A 4.0643 7.3964 120.0507 54.8168 18.1504 177.3962 157 I 3.5867 7.7923 122.4931 61.5854 37.1997 175.7240 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 14 N 8.42 4.62 0.00 2.82 2.88 0.00 0.00 6.02 6.76 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 15 S 8.27 4.41 0.00 3.95 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 16 E 8.65 3.99 0.00 1.91 1.88 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 2.31 2.38 0.00 17 L 8.38 4.09 0.00 1.60 1.56 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.38 4.16 0.00 1.81 1.79 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.87 3.95 0.00 2.04 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 2.43 2.35 0.00 20 E 8.35 3.97 0.00 2.10 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 2.42 2.71 0.00 21 Q 7.98 4.43 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 22 K 8.54 4.05 0.00 1.98 2.02 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.71 1.75 7.81 23 Q 8.31 4.22 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 24 E 7.92 4.06 0.00 2.34 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 0.00 2.41 2.58 0.00 25 I 8.07 3.99 2.36 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 1.28 0.00 0.00 26 Y 8.14 4.59 0.00 3.20 3.35 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 27 E 9.22 3.71 0.00 2.27 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 2.44 2.77 0.00 28 A 8.52 4.32 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.38 3.69 0.00 3.19 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 30 S 8.37 4.09 0.00 3.49 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 31 L 8.10 3.71 0.00 1.45 0.53 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.19 4.81 0.00 2.87 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 33 D 7.36 4.42 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 N 8.42 4.59 0.00 2.89 2.98 0.00 0.00 6.08 8.04 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 36 N 7.73 4.31 0.00 2.85 2.94 0.00 0.00 7.03 8.35 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 37 D 8.33 4.71 0.00 2.74 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 38 G 8.43 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 39 F 8.08 5.57 0.00 3.23 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 40 L 8.60 4.86 0.00 1.60 1.46 0.39 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.03 4.99 0.00 2.89 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 42 Y 8.50 4.09 0.00 3.04 2.86 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 43 H 8.25 3.85 0.00 3.25 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.40 3.91 0.00 2.09 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 0.00 2.31 2.46 0.00 45 L 8.14 3.95 0.00 1.65 1.89 1.21 0.83 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 46 K 8.10 3.86 0.00 1.18 1.66 0.00 1.69 0.00 0.00 1.39 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.33 7.81 47 V 7.24 3.65 1.58 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 0.63 0.00 0.00 0.88 0.00 0.00 48 A 7.96 3.88 1.41 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 0.00 0.00 *50 K 8.09 4.08 0.00 1.83 1.81 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.58 7.81 51 A 7.63 4.09 1.47 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 0.00 0.00 52 L 8.02 4.51 0.00 1.86 1.66 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.74 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 54 F 7.06 4.38 0.00 3.03 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 55 E 8.71 4.50 0.00 1.87 1.84 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 2.17 2.28 0.00 56 L 8.11 4.70 0.00 1.70 1.59 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.10 0.00 2.26 1.99 0.00 3.65 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 2.35 2.21 0.00 58 K 9.10 3.97 0.00 1.91 1.84 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.58 7.81 59 R 7.89 3.82 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 60 E 7.72 4.12 0.00 2.17 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 0.00 2.37 2.39 0.00 61 I 7.94 3.89 2.22 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 1.55 0.94 1.00 0.00 0.00 62 L 8.18 4.00 0.00 1.86 1.74 0.78 0.86 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 63 D 8.18 4.41 0.00 3.09 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 64 L 8.22 4.08 0.00 1.94 1.86 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.92 3.82 2.07 0.00 0.00 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 1.76 0.89 0.99 0.00 0.00 66 D 8.53 4.39 0.00 2.88 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 67 E 7.90 3.91 0.00 2.06 1.73 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 1.92 2.16 0.00 68 Y 7.83 4.49 0.00 3.04 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 69 D 8.05 4.69 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.78 4.43 0.00 4.01 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 71 E 7.98 3.88 0.00 1.84 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 2.02 2.25 0.00 72 G 7.56 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 73 R 8.43 3.35 0.00 1.91 1.95 0.00 3.48 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 74 H 8.39 4.27 0.00 3.28 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.20 4.72 0.00 1.26 1.02 0.94 1.06 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 *77 K 8.42 4.64 0.00 2.10 1.97 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.73 1.51 7.81 78 Y 8.59 3.59 0.00 1.48 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 79 D 8.10 4.22 0.00 2.74 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 80 D 8.22 4.16 0.00 2.82 2.37 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 81 F 7.87 3.95 0.00 3.15 3.33 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 82 Y 8.12 3.93 0.00 2.22 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 83 I 7.63 3.74 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.83 0.00 0.00 84 V 7.37 3.47 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.46 0.00 0.00 *86 G 7.93 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.10 3.84 0.00 2.11 2.15 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 2.26 2.44 0.00 88 K 7.78 3.71 0.00 1.08 0.74 0.00 1.12 0.00 0.00 0.69 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 1.21 7.81 89 I 7.58 4.15 2.03 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 1.78 0.86 0.94 0.00 0.00 90 L 7.69 4.12 0.00 1.70 1.70 0.92 0.99 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 91 K 8.25 4.23 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 92 R 7.39 4.14 0.00 2.25 2.09 0.00 3.21 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 93 D 8.73 4.34 0.00 2.76 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 94 P 0.00 4.43 0.00 2.26 2.29 0.00 3.73 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 2.07 1.99 0.00 95 L 7.87 4.19 0.00 1.88 1.71 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.28 4.34 0.00 2.87 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 97 E 8.25 3.82 0.00 2.02 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 2.48 0.00 98 I 7.21 3.79 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.65 0.83 0.00 0.00 99 K 8.25 3.79 0.00 1.89 1.86 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.60 7.81 100 R 8.11 3.84 0.00 1.83 1.85 0.00 3.24 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 101 A 7.52 3.97 1.51 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 0.00 0.00 102 F 7.84 4.25 0.00 2.19 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.95 3.85 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 104 L 7.36 4.17 0.00 1.61 1.46 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.66 4.38 0.00 3.01 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 0.00 106 D 7.48 4.55 0.00 2.34 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 0.00 0.00 0.00 107 D 8.23 4.25 0.00 2.72 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 0.00 108 D 7.97 4.38 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 7.80 4.72 0.00 3.30 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.98 4.13 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 1.27 0.00 0.00 111 G 8.60 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 0.00 0.00 0.00 112 K 7.37 4.82 0.00 1.62 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.45 7.81 113 I 8.65 3.93 1.90 0.00 0.00 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 1.54 0.64 0.84 0.00 0.00 114 S 8.30 4.77 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.91 0.00 0.00 116 K 8.10 4.27 0.00 1.91 1.93 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 117 N 8.21 5.02 0.00 2.86 3.22 0.00 0.00 6.64 7.42 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 0.00 118 L 7.66 4.68 0.00 1.64 1.70 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.72 3.92 0.00 1.88 2.07 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 120 R 7.78 3.71 0.00 1.96 1.96 0.00 3.53 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 1.64 1.91 0.00 121 V 7.69 3.89 2.44 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 1.09 0.00 0.00 1.02 0.00 0.00 122 A 8.35 4.10 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 0.00 123 K 8.83 4.13 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 124 E 7.49 4.55 0.00 2.28 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 2.32 2.35 0.00 125 L 7.93 4.78 0.00 1.74 1.55 1.00 0.71 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 0.00 126 G 7.56 3.87 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 0.00 *136 A 8.74 3.95 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 *138 I 7.17 4.15 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.88 0.00 0.00 139 E 8.16 3.77 0.00 1.93 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 2.36 2.20 0.00 140 E 6.86 3.45 0.00 1.38 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 1.47 1.47 0.00 141 F 7.56 5.15 0.00 2.97 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 0.00 142 D 8.62 5.00 0.00 2.54 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 0.00 143 L 8.95 4.70 0.00 1.76 1.65 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.38 4.48 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 N 7.86 4.62 0.00 2.98 3.07 0.00 0.00 5.61 7.66 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 0.00 151 E 7.90 2.98 0.00 1.16 1.58 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 0.00 2.03 1.61 0.00 152 N 8.15 4.43 0.00 2.86 2.82 0.00 0.00 6.95 7.66 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 0.00 153 E 9.09 4.03 0.00 1.98 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 2.33 2.43 0.00 154 F 7.58 3.80 0.00 3.26 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 0.00 155 I 7.51 3.78 1.88 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 1.45 0.80 0.92 0.00 0.00 156 A 7.40 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.79 3.59 1.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.27 0.59 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.