NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0597 8.0244 120.8009 60.2753 39.6982 175.5792 3 D 4.1853 7.9388 119.9931 53.8397 41.6096 173.5566 4 E 3.9284 8.4492 125.4840 58.4541 30.2907 178.5427 5 K 3.6267 8.8760 120.4230 60.1663 32.0780 178.8219 6 F 4.2927 6.8704 117.6919 59.9759 38.8661 177.1071 7 L 3.7521 7.7533 119.2139 58.4715 41.6332 179.1333 8 I 3.6950 7.4121 119.1719 64.1401 37.0038 178.0912 9 E 3.8691 9.0319 121.1721 59.5442 29.4976 178.9599 10 S 4.1942 8.8745 116.2898 61.7340 62.7995 176.6565 11 N 4.3746 8.3062 121.6423 56.7991 38.2964 177.7722 12 E 3.9821 8.3299 119.9059 61.0556 29.5384 180.6073 13 L 4.1205 7.7937 120.3715 58.0670 42.1411 178.9519 14 V 3.3443 7.6989 117.9298 66.1301 31.2446 177.9271 15 E 4.1982 8.4126 117.0437 58.8801 29.3390 178.9412 16 S 4.3634 7.9317 113.2486 59.4557 63.5981 174.0265 17 S 4.6993 7.1462 114.5166 56.7326 65.3138 173.7079 18 K 4.3491 8.6997 123.6698 57.1499 32.4640 176.7858 19 I 4.5354 7.4774 120.5765 59.4489 39.0609 175.4654 20 V 3.9200 7.6706 125.6050 60.5964 32.3604 174.9382 *22 V 3.9661 8.3267 118.1193 62.7377 32.9629 175.1513 23 G 4.3662 9.0764 116.3923 45.3767 0.0000 172.5333 24 T 5.0411 8.8106 114.1055 59.7374 73.2068 172.9118 25 N 4.8164 8.7664 119.6985 52.5346 38.6213 175.4971 26 G 4.0629 8.7350 113.1618 44.6769 0.0000 171.6658 27 E 4.3295 8.6802 118.4587 57.6839 29.8939 177.2141 28 N 4.1536 9.6037 117.3368 54.4377 35.9861 175.4183 29 G 3.8152 7.8505 104.3175 45.7304 0.0000 173.3837 30 Y 4.5739 7.5276 117.5859 55.9491 39.6018 173.8664 31 P 4.9883 0.0000 0.0000 62.6762 32.6417 175.3570 32 N 5.1643 9.1368 118.2626 51.6333 42.9796 173.5550 33 I 4.9666 8.3022 121.6107 59.4302 40.2935 174.8026 34 K 4.6738 8.7213 126.8097 54.3188 35.1901 175.7231 35 A 4.4929 8.3675 127.0277 51.1243 19.6726 177.0715 *38 R 4.0962 8.3198 118.9653 56.5512 30.3212 175.1957 39 L 4.3877 9.2201 127.9855 57.5317 42.5689 177.4826 40 K 4.7930 8.0415 117.0280 55.8964 35.4431 173.8864 41 H 5.3107 8.7642 119.3745 54.2234 32.2660 172.4985 42 D 4.5804 9.2353 120.2679 51.9904 42.0204 176.9337 43 G 3.8385 8.5086 119.2794 47.1065 0.0000 172.2598 44 L 4.9399 9.8872 124.7176 54.5253 42.1525 177.3786 45 K 4.2970 8.3100 121.0224 58.7344 32.6869 177.2200 46 K 4.9967 7.4883 116.7618 54.9482 36.7328 175.3587 47 F 5.2056 9.3968 122.9591 55.4356 43.1440 173.8179 48 W 5.2544 9.8969 122.8727 55.0456 31.6423 174.9196 49 L 5.2998 9.2786 123.9648 52.9791 45.5607 175.2780 50 S 5.4388 8.7067 115.1973 57.2371 65.0250 172.7159 51 T 4.8718 8.4911 119.1823 60.5411 71.5267 172.0141 52 N 5.8456 8.6189 122.2089 52.2737 38.2820 174.8646 53 T 4.0570 8.7164 119.4172 64.1552 69.6276 173.2009 54 S 4.7901 8.5147 121.1218 56.1319 65.7765 174.1532 55 T 3.9259 8.6947 114.7077 64.8392 68.7036 175.9519 56 R 3.7591 8.1195 119.4297 57.8219 30.6057 177.3988 *58 V 4.0041 7.8431 116.5751 63.2494 33.0335 177.0668 59 E 3.9665 8.4658 119.5162 59.4892 29.1495 179.4760 60 R 3.9096 8.1901 118.5484 59.5994 30.0102 178.6793 61 L 4.3076 7.7454 118.0436 57.1138 41.6789 179.1580 62 K 4.1231 8.1028 118.0918 59.0543 32.0284 178.7826 63 K 4.5273 7.6250 116.9823 56.8768 32.5725 176.5849 64 N 4.6586 8.4054 118.6574 52.9416 40.7007 173.2413 65 N 4.9731 8.7205 123.0798 52.5933 39.0488 173.9727 66 K 4.8447 8.1265 119.6927 56.4914 32.9483 176.2607 67 I 5.0196 8.9660 118.4034 59.4809 41.9999 173.4893 68 C 5.0675 8.8259 115.4875 56.5823 33.1254 172.9505 69 L 4.6039 8.3620 120.2970 53.0789 43.7236 175.4211 70 Y 4.7674 7.6996 121.8253 55.8041 42.5818 173.7141 71 F 4.8985 8.4200 124.4380 55.5066 42.5537 174.4930 72 V 4.7735 8.4413 121.4394 59.9010 35.0524 174.6490 73 D 4.8782 8.8519 122.1314 52.3402 43.0707 175.9410 74 D 4.6397 9.0018 127.1364 56.3603 39.6805 178.8030 75 N 4.3816 8.3072 116.5867 55.9880 38.5878 175.8713 76 K 4.2272 7.6035 114.8811 55.9105 32.9667 176.1087 77 F 3.8822 7.6083 120.4448 59.4897 38.4225 174.3784 78 A 4.7757 7.6986 120.5485 50.3801 22.7362 176.8289 79 G 4.3114 8.2613 105.5521 45.3837 0.0000 171.4361 80 L 5.3802 8.0794 121.6720 51.9579 46.5000 174.6339 *82 L 4.3415 8.2481 117.3406 54.6206 43.3566 176.3373 83 V 4.5257 8.2005 122.6689 60.8097 34.4846 175.6471 84 G 3.8788 7.8253 112.1897 45.8988 0.0000 171.4717 85 T 5.7783 7.2922 107.8776 58.8305 72.4869 172.7088 86 I 5.3015 8.4146 122.2447 59.2173 41.2756 174.1465 87 E 4.8423 9.0646 125.5698 54.4640 32.9928 174.7413 88 I 4.3510 8.3548 122.6671 61.0425 38.2942 175.3517 89 L 4.4704 8.8093 127.9547 53.8808 41.5629 176.4284 90 H 4.4823 8.8531 121.9080 56.9581 29.8304 176.3742 91 D 4.6635 7.8216 120.3244 52.7703 41.6618 177.3197 92 R 3.9179 8.5471 121.6154 59.1314 29.9926 178.3842 93 A 3.9799 8.0626 119.7438 55.5743 18.3629 179.3873 94 S 4.2298 7.9734 111.5739 61.6701 63.1084 176.6757 95 K 4.2487 7.9510 120.7983 59.3771 31.5277 179.4121 96 E 4.3623 8.4158 116.6674 56.7748 29.5952 177.5103 *98 L 4.2674 7.8971 117.8564 53.3102 43.7624 177.2663 99 W 4.2851 7.9545 128.4199 58.0797 31.1619 174.8302 100 T 4.6978 7.1405 113.0616 59.1661 71.6253 172.7064 101 D 4.7049 8.5384 121.4800 56.0989 41.1146 177.5837 102 G 3.8027 8.9247 109.8481 46.1711 0.0000 174.6617 103 C 4.0752 7.4831 119.1473 62.1217 26.9747 175.9466 104 E 4.2918 7.8145 117.4781 59.2157 29.4122 179.1368 105 I 3.6773 7.4247 119.3169 63.5027 37.2585 176.2106 106 Y 4.3630 6.5531 113.9367 58.4881 39.0978 175.4442 107 Y 5.0927 7.8573 117.9467 54.7003 38.2406 173.8180 108 P 4.3353 0.0000 0.0000 65.3157 31.8883 177.3083 109 L 4.4206 8.4832 115.9506 54.3034 41.9878 178.5068 110 G 3.3773 8.1444 108.6814 44.6269 0.0000 174.3985 111 I 3.5539 7.4451 118.3537 64.5146 37.1100 176.4618 112 D 4.6733 7.7900 116.7935 54.0011 41.3406 175.9028 113 D 4.4826 8.3000 121.5891 53.9269 41.4762 175.5586 114 P 4.4340 0.0000 0.0000 65.2248 31.8126 176.4352 115 D 4.8224 8.7385 118.3145 54.0259 42.0581 175.3132 116 Y 3.8878 7.7397 121.0734 56.8352 39.1893 174.5209 117 T 4.4765 8.5053 123.9966 61.5065 71.6449 173.3814 118 A 5.1719 8.1632 126.7326 50.1239 22.0577 175.1172 119 L 5.2039 9.2000 121.0195 52.9668 46.2981 175.2257 120 C 4.8643 9.2771 122.3263 57.6574 33.9917 172.2608 121 F 5.1490 9.3801 129.7905 57.2481 41.0108 174.4137 122 T 4.6102 7.8123 122.1315 61.3810 70.8972 173.2058 123 A 3.8959 8.0956 129.4117 51.9112 18.9911 176.6930 124 E 4.5180 9.5948 122.7977 57.8431 31.6850 175.9263 125 W 5.2997 7.5104 114.2742 55.9455 32.2468 172.9028 126 G 3.7886 8.5229 106.4341 45.3325 0.0000 171.2579 127 N 5.2288 8.2273 117.2531 52.1801 42.4294 172.2523 128 Y 4.9512 9.1416 128.4322 56.4439 40.8024 173.5642 129 Y 5.0895 8.2020 124.9795 56.3325 40.7006 174.9020 130 R 4.2688 9.3380 120.7947 56.7029 34.5362 173.7726 131 H 4.2899 9.7694 120.4185 57.0137 26.4542 174.6983 132 L 3.7978 8.4415 115.3203 55.8491 40.6345 173.0224 133 K 5.0397 8.0143 115.2085 54.1291 36.4501 174.6207 134 N 5.4512 8.5768 117.1554 51.5037 40.7003 173.6669 135 I 4.4626 8.4289 121.0656 59.9902 39.8629 174.6381 136 T 5.0625 8.5430 124.0627 62.1693 70.0790 174.1892 137 F 5.0850 8.5049 119.8084 55.2281 42.0542 173.9480 138 K 4.7767 8.8669 119.9464 55.7675 32.8624 178.2886 139 I 4.0648 8.7509 124.6167 64.8046 36.9174 178.6709 140 D 4.5903 8.2782 117.7338 56.0610 39.3045 178.0635 141 E 4.2392 8.2385 120.5767 59.1690 29.5828 178.1609 142 I 3.8980 7.3122 113.6472 62.2273 37.8704 175.2034 143 Y 4.3391 7.7668 121.3737 58.9341 38.7526 174.9633 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 I 8.02 4.06 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 1.29 1.32 0.93 0.00 0.00 3 D 7.94 4.19 0.00 2.69 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 0.00 0.00 0.00 0.00 4 E 8.45 3.93 0.00 2.02 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 2.30 2.33 0.00 5 K 8.88 3.63 0.00 1.66 1.83 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.69 0.21 7.81 6 F 6.87 4.29 0.00 2.81 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 7 L 7.75 3.75 0.00 1.42 1.47 0.76 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.41 3.69 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.87 0.00 0.00 9 E 9.03 3.87 0.00 2.05 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 2.30 2.22 0.00 10 S 8.87 4.19 0.00 3.77 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 11 N 8.31 4.37 0.00 2.99 2.87 0.00 0.00 7.06 6.94 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 12 E 8.33 3.98 0.00 1.97 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 2.25 2.20 0.00 13 L 7.79 4.12 0.00 1.80 1.91 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.70 3.34 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 0.78 0.00 0.00 0.29 0.00 0.00 15 E 8.41 4.20 0.00 2.15 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 2.52 2.51 0.00 16 S 7.93 4.36 0.00 4.08 4.15 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 17 S 7.15 4.70 0.00 3.89 3.80 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 18 K 8.70 4.35 0.00 1.84 1.89 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 19 I 7.48 4.54 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 1.38 0.83 0.87 0.00 0.00 20 V 7.67 3.92 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 0.67 0.00 0.00 0.04 0.00 0.00 *22 V 8.33 3.97 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 0.80 0.00 0.00 0.74 0.00 0.00 23 G 9.08 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 0.00 0.00 0.00 0.00 24 T 8.81 5.04 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 1.18 0.00 0.00 25 N 8.77 4.82 0.00 2.63 2.84 0.00 0.00 6.86 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 26 G 8.73 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 0.00 0.00 0.00 27 E 8.68 4.33 0.00 2.17 1.93 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 2.40 1.90 0.00 28 N 9.60 4.15 0.00 3.18 3.14 0.00 0.00 7.05 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 29 G 7.85 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 30 Y 7.53 4.57 0.00 2.96 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 31 P 0.00 4.99 0.00 1.93 1.97 0.00 3.71 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 2.03 2.11 0.00 32 N 9.14 5.16 0.00 2.60 2.62 0.00 0.00 7.06 7.54 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 33 I 8.30 4.97 1.80 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 1.13 0.54 0.81 0.00 0.00 34 K 8.72 4.67 0.00 1.67 1.56 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.32 7.81 35 A 8.37 4.49 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 *38 R 8.32 4.10 0.00 2.08 2.17 0.00 3.46 0.00 0.00 3.61 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.04 0.00 39 L 9.22 4.39 0.00 1.92 1.97 1.20 1.17 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 40 K 8.04 4.79 0.00 1.77 1.71 0.00 1.28 0.00 0.00 0.74 0.00 0.00 2.49 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.50 1.37 7.81 41 H 8.76 5.31 0.00 2.15 2.76 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.24 4.58 0.00 2.95 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 43 G 8.51 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 0.00 0.00 0.00 44 L 9.89 4.94 0.00 1.97 2.04 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.31 4.30 0.00 1.83 1.74 0.00 1.42 0.00 0.00 1.10 0.00 0.00 2.14 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.06 7.81 46 K 7.49 5.00 0.00 1.43 0.85 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.08 1.22 7.81 47 F 9.40 5.21 0.00 3.18 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 48 W 9.90 5.25 0.00 3.34 3.05 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 49 L 9.28 5.30 0.00 1.61 1.57 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.71 5.44 0.00 4.10 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 51 T 8.49 4.87 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 52 N 8.62 5.85 0.00 2.89 2.96 0.00 0.00 6.42 7.71 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 53 T 8.72 4.06 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 1.23 0.00 0.00 54 S 8.51 4.79 0.00 3.93 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 55 T 8.69 3.93 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 1.22 0.00 0.00 56 R 8.12 3.76 0.00 1.86 1.96 0.00 3.20 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 *58 V 7.84 4.00 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 0.97 0.00 0.00 0.97 0.00 0.00 59 E 8.47 3.97 0.00 2.25 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 2.34 2.45 0.00 60 R 8.19 3.91 0.00 1.88 2.00 0.00 3.09 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 61 L 7.75 4.31 0.00 1.66 1.73 0.92 1.07 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 62 K 8.10 4.12 0.00 1.96 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.72 7.81 63 K 7.62 4.53 0.00 1.73 1.86 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.60 7.81 64 N 8.41 4.66 0.00 2.67 2.64 0.00 0.00 6.68 6.89 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 65 N 8.72 4.97 0.00 3.00 3.17 0.00 0.00 6.20 6.68 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 66 K 8.13 4.84 0.00 1.84 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.40 7.81 67 I 8.97 5.02 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.92 0.00 0.00 68 C 8.83 5.07 0.00 2.94 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 69 L 8.36 4.60 0.00 0.93 0.79 -0.00 0.09 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 70 Y 7.70 4.77 0.00 2.85 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 71 F 8.42 4.90 0.00 2.86 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 72 V 8.44 4.77 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 0.79 0.00 0.00 1.14 0.00 0.00 73 D 8.85 4.88 0.00 2.82 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 74 D 9.00 4.64 0.00 3.03 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 75 N 8.31 4.38 0.00 2.99 2.96 0.00 0.00 6.90 7.61 0.00 0.00 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 K 7.60 4.23 0.00 1.95 1.88 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.41 7.81 77 F 7.61 3.88 0.00 3.04 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 78 A 7.70 4.78 1.10 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 0.00 0.00 0.00 0.00 0.00 79 G 8.26 4.31 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 0.00 0.00 0.00 80 L 8.08 5.38 0.00 1.85 1.57 1.19 0.38 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 *82 L 8.25 4.34 0.00 1.70 1.82 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.20 4.53 0.67 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 0.80 0.00 0.00 0.09 0.00 0.00 84 G 7.83 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 85 T 7.29 5.78 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 1.24 0.00 0.00 86 I 8.41 5.30 2.02 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 1.12 0.99 0.00 0.00 87 E 9.06 4.84 0.00 2.02 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 2.16 2.26 0.00 88 I 8.35 4.35 1.77 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 1.31 0.53 0.62 0.00 0.00 89 L 8.81 4.47 0.00 1.46 1.65 1.16 1.18 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 90 H 8.85 4.48 0.00 3.12 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.82 4.66 0.00 2.88 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 92 R 8.55 3.92 0.00 1.90 1.96 0.00 3.20 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 93 A 8.06 3.98 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 94 S 7.97 4.23 0.00 4.10 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 95 K 7.95 4.25 0.00 2.02 2.02 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.47 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.08 1.45 7.81 96 E 8.42 4.36 0.00 2.01 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 0.00 2.33 2.31 0.00 *98 L 7.90 4.27 0.00 1.93 1.89 1.06 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 W 7.95 4.29 0.00 3.50 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 0.00 100 T 7.14 4.70 4.17 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 1.26 0.00 0.00 101 D 8.54 4.70 0.00 2.64 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 0.00 102 G 8.92 3.80 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 0.00 0.00 0.00 103 C 7.48 4.08 0.00 1.30 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 0.00 104 E 7.81 4.29 0.00 2.27 2.46 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 2.27 2.31 0.00 105 I 7.42 3.68 0.86 0.00 0.00 0.61 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 0.29 0.38 0.00 0.00 106 Y 6.55 4.36 0.00 1.98 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 0.00 0.00 0.00 107 Y 7.86 5.09 0.00 3.26 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 0.00 108 P 0.00 4.34 0.00 2.11 2.18 0.00 3.98 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 2.09 2.16 0.00 109 L 8.48 4.42 0.00 1.82 1.71 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.14 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 0.00 0.00 0.00 111 I 7.45 3.55 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.36 0.96 0.00 0.00 112 D 7.79 4.67 0.00 2.65 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 0.00 113 D 8.30 4.48 0.00 2.99 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 0.00 114 P 0.00 4.43 0.00 2.26 2.20 0.00 3.89 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 2.05 2.03 0.00 115 D 8.74 4.82 0.00 3.05 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 0.00 116 Y 7.74 3.89 0.00 2.09 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 0.00 117 T 8.51 4.48 4.38 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 1.15 0.00 0.00 118 A 8.16 5.17 1.09 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 0.00 0.00 119 L 9.20 5.20 0.00 1.62 1.55 1.00 0.56 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 0.00 120 C 9.28 4.86 0.00 2.93 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 0.00 121 F 9.38 5.15 0.00 3.02 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 0.00 122 T 7.81 4.61 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 1.04 0.00 0.00 123 A 8.10 3.90 1.42 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 0.00 0.00 124 E 9.59 4.52 0.00 2.08 2.17 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 2.28 2.18 0.00 125 W 7.51 5.30 0.00 3.48 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 0.00 126 G 8.52 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 0.00 127 N 8.23 5.23 0.00 2.70 2.26 0.00 0.00 6.45 7.56 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 0.00 128 Y 9.14 4.95 0.00 3.13 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 0.00 129 Y 8.20 5.09 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.34 4.27 0.00 1.31 1.65 0.00 3.25 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.26 0.00 131 H 9.77 4.29 0.00 3.37 3.40 0.00 6.09 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.44 3.80 0.00 1.88 1.82 1.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.01 5.04 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.71 7.81 134 N 8.58 5.45 0.00 2.35 2.51 0.00 0.00 5.85 7.81 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 0.00 135 I 8.43 4.46 1.59 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 1.14 0.78 0.77 0.00 0.00 136 T 8.54 5.06 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 1.09 0.00 0.00 137 F 8.50 5.09 0.00 3.04 3.05 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 0.00 138 K 8.87 4.78 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 139 I 8.75 4.06 2.02 0.00 0.00 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 1.79 1.62 1.14 0.00 0.00 140 D 8.28 4.59 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 0.00 141 E 8.24 4.24 0.00 2.33 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 2.37 2.38 0.00 142 I 7.31 3.90 1.71 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.40 0.69 0.00 0.00 143 Y 7.77 4.34 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.