NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5534 8.3049 120.3292 54.7928 33.1531 173.9088 2 S 4.1059 7.4530 114.5343 57.6772 66.3862 173.0406 3 N 4.7091 9.6971 116.4003 54.6899 39.7461 174.6661 4 T 4.3250 8.1761 118.6754 64.1839 69.1058 173.9645 5 L 4.7307 8.2200 119.5424 55.5389 44.7606 176.7036 6 F 5.0554 7.7249 117.7559 57.4802 42.7272 172.4053 7 D 4.5223 7.1867 121.8464 52.9681 44.3740 173.3339 8 D 4.3592 8.0285 122.2203 53.9917 46.1221 174.0922 9 I 4.9696 7.7926 121.8105 59.7046 39.5268 175.1200 10 F 5.1627 9.0881 125.8142 55.8210 42.6893 174.6499 11 Q 4.8343 9.3412 122.4400 54.0658 31.0846 174.9156 12 V 4.1363 8.4088 128.3918 63.5434 31.8939 176.2968 13 S 4.7135 9.4199 121.7480 58.3803 65.5635 174.0987 14 E 4.5215 8.0596 121.5901 55.4469 32.4987 174.1879 15 V 4.6057 8.5666 128.3875 60.2932 31.9228 173.6364 16 D 4.6812 9.4221 128.7358 52.9374 42.3054 173.3224 17 P 4.9140 0.0000 0.0000 61.5627 30.4837 175.9331 18 G 3.7833 8.3745 118.2244 46.3674 0.0000 171.1774 19 R 3.6887 7.8980 125.3515 57.8268 28.0039 175.2478 20 Y 5.1235 7.5696 111.7793 56.6526 42.5137 175.2711 21 N 4.9008 8.9351 116.4637 54.5621 41.2122 175.8763 22 K 4.4464 8.0030 115.2611 56.1996 32.3135 175.6766 23 V 4.7473 7.2104 117.3523 62.1031 34.6088 173.0696 24 C 4.9739 8.9150 121.1744 58.1841 33.3728 172.9039 25 R 5.1205 8.6426 121.8252 54.2666 31.5042 174.5806 26 I 4.8058 9.3479 128.4796 59.2887 40.6069 173.6888 27 E 5.0087 9.5255 130.7414 54.6719 31.2069 174.2317 28 A 5.3233 9.1692 128.8732 50.2475 22.9615 174.6565 29 A 5.2038 8.8442 122.0753 50.4400 22.7465 175.2167 30 S 4.5351 8.1703 112.1664 57.2790 64.9849 173.7734 31 T 4.4903 7.6026 118.0480 62.9924 70.1899 176.6836 32 T 3.4672 8.8411 121.0394 64.6467 67.4869 172.4729 33 Q 4.4241 7.9465 118.9293 54.6856 30.3926 177.9675 34 D 4.0722 8.5052 119.5631 55.2828 40.5033 177.2453 35 Q 4.1422 9.1103 126.5232 56.9639 27.0158 174.2746 36 C 5.4445 8.1741 121.9331 60.3444 34.3601 171.9979 37 K 4.8992 8.6049 125.5643 55.0246 36.2439 174.7348 38 L 5.0345 9.3215 122.7277 53.8930 45.7508 174.9785 39 T 4.9441 9.3090 123.5076 61.9316 70.5361 172.7972 40 L 5.2830 8.8323 128.4828 53.1644 46.1202 174.7020 41 D 5.5447 8.6387 123.8537 53.1761 42.8400 175.5109 42 I 4.5593 8.6570 125.0779 58.9981 39.9822 174.5258 43 N 4.6548 8.7000 124.8279 53.6181 38.4325 175.3038 44 V 4.3033 8.1982 125.2767 63.5534 32.2197 176.6707 45 E 4.0502 8.3644 119.5753 58.7354 29.7555 177.1837 46 L 4.2852 7.8187 117.2091 55.8976 42.6465 176.9669 47 F 4.6700 7.5300 126.3901 55.3671 39.2077 172.2113 48 P 4.2832 0.0000 0.0000 62.0345 31.6814 176.6080 49 V 4.0271 8.1030 121.9978 60.8111 32.6361 174.8472 50 A 4.2949 8.3187 129.7506 51.0333 19.4616 176.6799 51 A 4.0973 8.2179 122.3271 52.8681 19.6469 177.0580 52 Q 3.5205 8.0779 117.8580 57.7898 27.3939 170.9422 53 D 5.3984 7.4515 119.0399 52.6790 45.7995 176.3572 54 S 5.4612 8.4146 112.3532 56.8781 66.0074 173.5211 55 L 5.0690 8.6477 122.7928 53.1739 45.6179 175.5612 56 T 4.5990 8.5376 121.0015 63.1289 69.8060 173.7860 57 V 4.7555 8.8266 127.6205 61.4133 33.7579 174.6055 58 T 4.3953 8.3528 123.8517 62.4453 71.8353 173.1782 59 I 4.1878 8.8137 125.8289 58.3149 37.0746 179.7129 60 A 3.6433 8.1196 126.5031 53.1309 18.2452 178.6497 61 S 4.7754 7.8513 108.6590 59.1414 64.0669 174.8976 62 S 4.0681 7.8979 115.0091 59.0832 63.2899 174.3811 63 L 3.2879 8.0828 113.9237 56.2728 38.0797 175.1095 *74 S 4.1638 7.9663 122.8036 58.5530 64.6699 176.4494 75 A 3.6461 8.5232 121.2127 53.1493 17.9568 178.6020 76 T 4.4362 8.8242 110.6976 61.3558 71.0105 176.4122 77 R 4.3862 8.4267 128.7203 57.3995 29.3338 178.6229 78 S 3.4869 8.0227 104.6329 58.3740 61.5649 169.9685 79 W 4.2920 8.3098 135.0000 58.0583 30.5394 175.7118 80 R 3.9914 7.9326 124.9771 54.2990 30.6000 174.6547 81 P 3.4388 0.0000 0.0000 61.6636 31.3437 173.5967 82 P 3.9706 0.0000 0.0000 61.7543 31.8833 176.0249 83 Q 3.3364 8.1332 115.5552 57.0865 27.9328 175.3391 84 A 4.4100 8.1897 116.5452 52.9432 18.5522 179.7421 85 G 3.7438 8.0676 105.3738 47.7565 0.0000 174.4993 86 D 4.6592 7.8595 117.7837 54.4962 42.4877 176.6234 87 R 4.3686 7.7131 119.2352 54.2044 31.0445 175.7562 88 S 4.1311 8.6223 120.7493 58.3205 63.2412 174.3782 89 L 4.3261 8.3612 125.6911 55.1068 41.8113 176.1826 90 A 4.7029 7.9814 118.8849 51.7484 19.3851 175.9273 91 D 5.0153 7.8912 115.8300 52.4017 41.9708 175.2819 92 D 4.9804 8.9977 124.0034 54.1847 41.7520 175.2666 93 Y 4.7431 7.8605 115.3624 56.0825 40.4964 176.0950 94 D 4.5831 8.6483 122.3359 57.0733 41.9734 176.0589 95 Y 4.4454 8.2497 120.5668 56.4270 41.7235 173.8054 96 V 5.1199 8.5425 126.3070 61.6373 34.7415 174.4113 97 M 4.9065 8.9339 124.2347 54.0426 36.7765 173.1763 98 Y 4.3504 8.7098 122.9675 56.4377 41.3132 174.7923 99 G 3.8034 7.8199 111.6720 45.5298 0.0000 171.4300 100 T 4.8836 8.2021 114.3344 61.7254 73.1189 173.2072 101 A 5.0399 8.1426 127.2929 50.1467 19.6068 176.6801 102 Y 4.5146 7.6196 119.2014 56.3048 39.6722 175.3135 103 K 3.8880 6.0418 119.9823 56.0298 35.7479 173.2216 104 F 5.0587 8.5643 122.2710 55.4640 41.6488 174.5152 105 E 4.2598 8.7569 125.9971 55.5842 30.7955 176.8396 106 E 4.7107 8.4989 124.8782 55.8345 31.2627 175.6501 107 V 3.6382 8.1490 119.5432 63.9997 32.6290 176.3701 108 S 3.2868 9.2077 123.5212 57.9067 63.2464 170.4894 109 K 3.7994 9.3672 124.8911 56.6069 31.7637 174.9399 110 D 4.9337 9.6351 123.3042 54.7315 41.4474 172.6761 111 L 4.6568 7.0500 115.0379 55.0063 45.7285 174.7358 112 I 4.3382 8.0460 115.9759 60.8199 41.9316 173.9539 113 A 5.1717 8.5262 128.9825 50.2116 22.5282 175.2774 114 V 4.4288 8.1967 113.8885 59.7253 35.0395 174.7167 115 Y 4.7839 7.4386 121.2747 56.4197 40.5502 174.2600 116 Y 5.1048 9.1999 122.5358 56.0063 42.0497 174.9955 117 S 4.9116 9.5633 119.1134 56.6631 64.9861 172.9420 118 F 4.9276 8.8923 128.5158 56.3429 38.1260 176.1662 119 G 4.1561 8.6755 111.8601 44.1407 0.0000 171.3643 120 G 3.5752 6.8813 117.5002 45.3556 0.0000 174.9210 121 L 4.3863 8.3761 123.0279 54.1515 42.9599 176.7552 122 L 5.2651 9.2214 124.0484 53.8929 44.3914 175.3927 123 M 5.2216 9.4331 121.2441 54.0217 35.8301 173.7414 124 R 5.3603 9.2245 127.1058 53.8352 32.5591 174.0685 125 L 5.0467 8.2159 128.1158 53.2834 45.6784 174.6452 126 E 4.9198 8.6878 124.1228 55.2659 32.8687 174.2145 127 G 3.9383 8.3012 114.6306 46.4968 0.0000 172.1512 128 N 4.9934 8.9543 114.6714 53.7074 41.0657 175.1245 129 Y 4.6405 8.0686 115.1696 57.7665 38.5348 175.6673 130 R 4.5729 7.5834 116.9595 56.9447 31.1781 177.7220 131 N 4.3444 8.3386 117.8077 55.6373 38.6149 175.8806 132 L 4.7353 7.7338 114.7816 54.4028 43.2519 176.7179 133 N 4.5945 8.1112 117.0943 55.1205 39.1562 175.1422 134 N 4.9082 7.8038 113.7587 51.4670 40.2496 174.4608 135 L 4.6106 8.1503 122.0202 52.7315 44.9656 177.1873 136 K 4.7544 8.2581 119.9844 56.3362 29.4213 175.9370 137 Q 4.6897 7.4978 120.6744 53.9691 32.6849 174.8184 138 E 3.8036 8.4716 120.3899 58.8604 29.9370 176.6945 139 N 4.2050 8.0139 122.0216 54.4102 38.8110 174.6794 140 A 4.4989 7.7464 124.0064 51.4558 22.6575 174.9131 141 Y 4.8788 8.1621 121.3921 57.1096 41.2853 174.7658 142 L 4.4882 8.1039 118.9221 54.7890 46.1978 174.0749 143 L 5.0413 8.6899 126.3142 52.8995 45.4999 175.6322 144 I 5.7534 9.1384 122.8129 58.7288 41.5421 174.6097 145 R 4.8514 8.2975 121.1967 54.7679 33.8611 175.4548 146 R 4.2071 8.6942 116.6998 56.9623 30.3655 176.4378 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 M 8.30 4.55 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 2 S 7.45 4.11 0.00 3.89 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 3 N 9.70 4.71 0.00 2.95 2.95 0.00 0.00 6.93 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 4 T 8.18 4.33 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 1.23 0.00 0.00 5 L 8.22 4.73 0.00 1.71 1.72 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.72 5.06 0.00 3.06 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 7 D 7.19 4.52 0.00 2.49 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 8 D 8.03 4.36 0.00 2.81 2.39 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 9 I 7.79 4.97 1.82 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 1.36 1.08 0.93 0.00 0.00 10 F 9.09 5.16 0.00 3.08 3.06 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 11 Q 9.34 4.83 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 12 V 8.41 4.14 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 0.95 0.00 0.00 0.99 0.00 0.00 13 S 9.42 4.71 0.00 3.85 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 14 E 8.06 4.52 0.00 2.05 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 0.00 2.31 2.32 0.00 15 V 8.57 4.61 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 0.77 0.00 0.00 0.96 0.00 0.00 16 D 9.42 4.68 0.00 2.80 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 17 P 0.00 4.91 0.00 2.15 2.12 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 18 G 8.37 3.78 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 0.00 19 R 7.90 3.69 0.00 1.67 1.73 0.00 3.23 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 20 Y 7.57 5.12 0.00 2.97 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 21 N 8.94 4.90 0.00 2.72 2.84 0.00 0.00 6.91 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 22 K 8.00 4.45 0.00 1.79 1.79 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.43 7.81 23 V 7.21 4.75 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 0.48 0.00 0.00 0.83 0.00 0.00 24 C 8.92 4.97 0.00 3.09 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 5.12 0.00 2.05 1.85 0.00 3.16 0.00 0.00 3.24 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 26 I 9.35 4.81 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 1.13 1.38 0.94 0.00 0.00 27 E 9.53 5.01 0.00 2.09 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 0.00 2.24 2.31 0.00 28 A 9.17 5.32 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 29 A 8.84 5.20 1.31 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 30 S 8.17 4.54 0.00 3.62 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 31 T 7.60 4.49 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 1.18 0.00 0.00 32 T 8.84 3.47 4.19 0.00 0.00 0.00 0.00 0.00 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 33 Q 7.95 4.42 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 5.93 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 34 D 8.51 4.07 0.00 2.74 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 0.00 0.00 0.00 35 Q 9.11 4.14 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 36 C 8.17 5.44 0.00 3.08 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 37 K 8.60 4.90 0.00 1.88 1.91 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.41 7.81 38 L 9.32 5.03 0.00 1.45 1.40 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.31 4.94 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 1.31 0.00 0.00 40 L 8.83 5.28 0.00 1.64 1.37 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.64 5.54 0.00 2.79 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 42 I 8.66 4.56 1.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.88 1.21 0.00 0.00 43 N 8.70 4.65 0.00 2.78 2.79 0.00 0.00 6.67 7.59 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 44 V 8.20 4.30 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 1.10 0.00 0.00 0.98 0.00 0.00 45 E 8.36 4.05 0.00 1.97 2.16 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 2.29 2.34 0.00 46 L 7.82 4.29 0.00 1.54 1.60 0.80 0.69 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 47 F 7.53 4.67 0.00 3.05 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 48 P 0.00 4.28 0.00 1.89 1.88 0.00 3.27 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 49 V 8.10 4.03 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 0.87 0.00 0.00 1.16 0.00 0.00 50 A 8.32 4.29 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 51 A 8.22 4.10 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 52 Q 8.08 3.52 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 53 D 7.45 5.40 0.00 2.64 2.62 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 54 S 8.41 5.46 0.00 3.86 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 55 L 8.65 5.07 0.00 1.66 1.63 0.95 0.95 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 56 T 8.54 4.60 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 1.34 0.00 0.00 57 V 8.83 4.76 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 1.01 0.00 0.00 0.78 0.00 0.00 58 T 8.35 4.40 3.81 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 1.15 0.00 0.00 59 I 8.81 4.19 2.01 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 1.49 0.93 0.89 0.00 0.00 60 A 8.12 3.64 1.28 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 0.00 0.00 0.00 61 S 7.85 4.78 0.00 4.02 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 62 S 7.90 4.07 0.00 3.95 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 63 L 8.08 3.29 0.00 1.69 1.76 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 *74 S 7.97 4.16 0.00 3.87 3.90 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 75 A 8.52 3.65 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 76 T 8.82 4.44 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 1.25 0.00 0.00 77 R 8.43 4.39 0.00 1.81 1.91 0.00 3.35 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 78 S 8.02 3.49 0.00 4.08 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 79 W 8.31 4.29 0.00 3.19 3.23 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 80 R 7.93 3.99 0.00 1.53 1.57 0.00 3.21 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 81 P 0.00 3.44 0.00 1.82 1.86 0.00 3.42 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 82 P 0.00 3.97 0.00 2.06 2.06 0.00 3.78 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 83 Q 8.13 3.34 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 84 A 8.19 4.41 1.31 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 85 G 8.07 3.74 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 0.00 0.00 0.00 86 D 7.86 4.66 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 87 R 7.71 4.37 0.00 1.74 1.81 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 88 S 8.62 4.13 0.00 4.02 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 89 L 8.36 4.33 0.00 1.96 1.79 1.03 0.57 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 90 A 7.98 4.70 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 91 D 7.89 5.02 0.00 2.90 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 92 D 9.00 4.98 0.00 2.42 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 93 Y 7.86 4.74 0.00 2.87 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 94 D 8.65 4.58 0.00 2.23 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 95 Y 8.25 4.45 0.00 2.21 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 0.00 0.00 0.00 96 V 8.54 5.12 2.16 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 1.05 0.00 0.00 1.00 0.00 0.00 97 M 8.93 4.91 0.00 1.45 1.15 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.50 0.00 98 Y 8.71 4.35 0.00 2.73 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 99 G 7.82 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 0.00 100 T 8.20 4.88 4.20 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 1.20 0.00 0.00 101 A 8.14 5.04 0.35 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 0.00 102 Y 7.62 4.51 0.00 2.81 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 0.00 103 K 6.04 3.89 0.00 1.61 1.30 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.29 7.81 104 F 8.56 5.06 0.00 2.87 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 0.00 105 E 8.76 4.26 0.00 2.37 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 2.36 2.38 0.00 106 E 8.50 4.71 0.00 1.95 1.87 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 2.42 2.22 0.00 107 V 8.15 3.64 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 0.82 0.00 0.00 0.95 0.00 0.00 108 S 9.21 3.29 0.00 4.13 3.34 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 0.00 109 K 9.37 3.80 0.00 1.93 2.10 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.67 7.81 110 D 9.64 4.93 0.00 2.82 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 0.00 111 L 7.05 4.66 0.00 1.50 1.53 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.05 4.34 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.39 0.85 0.00 0.00 113 A 8.53 5.17 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 0.00 114 V 8.20 4.43 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 0.90 0.00 0.00 0.94 0.00 0.00 115 Y 7.44 4.78 0.00 2.19 1.43 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 0.00 116 Y 9.20 5.10 0.00 2.80 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 0.00 0.00 0.00 117 S 9.56 4.91 0.00 3.55 3.55 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 0.00 118 F 8.89 4.93 0.00 3.20 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 0.00 119 G 8.68 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 0.00 120 G 6.88 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.38 4.39 0.00 1.77 1.79 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.22 5.27 0.00 1.71 1.74 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.43 5.22 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 124 R 9.22 5.36 0.00 1.89 1.73 0.00 3.30 0.00 0.00 3.20 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.00 125 L 8.22 5.05 0.00 1.66 1.33 0.96 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.69 4.92 0.00 2.00 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 2.19 2.21 0.00 127 G 8.30 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 0.00 128 N 8.95 4.99 0.00 2.67 2.85 0.00 0.00 6.87 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 0.00 129 Y 8.07 4.64 0.00 3.13 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 0.00 130 R 7.58 4.57 0.00 1.62 1.72 0.00 2.76 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.00 131 N 8.34 4.34 0.00 2.69 2.84 0.00 0.00 6.89 7.85 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 0.00 132 L 7.73 4.74 0.00 1.58 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.11 4.59 0.00 2.84 3.05 0.00 0.00 6.80 7.36 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 0.00 134 N 7.80 4.91 0.00 2.51 2.80 0.00 0.00 6.76 7.85 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 0.00 135 L 8.15 4.61 0.00 1.64 1.58 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.26 4.75 0.00 1.83 1.94 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.43 7.81 137 Q 7.50 4.69 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 138 E 8.47 3.80 0.00 2.09 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 2.36 2.33 0.00 139 N 8.01 4.21 0.00 2.79 3.00 0.00 0.00 6.63 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 0.00 140 A 7.75 4.50 1.23 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 0.00 0.00 141 Y 8.16 4.88 0.00 2.85 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 0.00 142 L 8.10 4.49 0.00 1.65 1.35 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.69 5.04 0.00 0.69 0.13 0.83 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.14 5.75 1.47 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.35 0.75 0.00 0.00 145 R 8.30 4.85 0.00 1.92 1.97 0.00 2.98 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 146 R 8.69 4.21 0.00 2.02 1.98 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.