NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3663 8.3044 118.1971 54.3068 33.1867 174.4024 2 K 4.2544 7.7933 121.5643 54.1797 33.3143 174.2379 3 T 3.9945 8.6727 123.5214 63.6857 70.1800 172.9978 4 Y 4.1921 8.6264 125.1484 58.1379 39.2905 175.6385 5 V 3.9567 6.5160 123.1128 60.0199 33.7700 174.0369 6 P 4.8833 0.0000 0.0000 62.6545 31.7939 175.3622 7 K 4.5352 8.5730 114.9660 56.3185 35.7475 173.9697 8 Q 4.1928 7.9625 122.9438 56.2374 27.3795 177.4828 9 V 4.1240 8.1019 121.7122 61.0064 33.1532 175.2850 10 E 4.1154 8.5232 125.0893 55.1997 30.0013 174.3952 11 P 4.6288 0.0000 0.0000 62.1224 32.0593 175.7771 12 R 4.5374 8.5798 120.4793 55.5225 31.1448 175.9035 13 W 4.8224 9.0379 121.3388 55.9483 31.3130 175.4005 14 V 4.8411 8.4613 120.4269 61.3736 35.4868 173.7687 15 L 5.2820 8.5243 124.5595 53.4179 45.6081 174.8663 16 I 4.7809 9.0406 125.6961 59.6486 41.9001 173.1164 17 D 5.3967 9.1192 128.0616 50.8914 42.0886 174.6301 18 A 4.6780 8.1076 131.3059 51.3495 19.6980 178.9671 19 E 4.0644 8.1123 119.5979 60.1001 29.5331 177.5622 20 G 4.1394 7.8868 104.0145 45.7701 0.0000 173.2050 21 K 4.5350 8.3705 121.1468 55.4817 34.6628 176.4223 22 T 4.5639 8.3050 118.1886 62.7228 69.0554 174.3976 23 L 4.0840 7.9846 129.3510 56.6734 42.5042 176.3549 24 G 4.1661 9.1913 113.4848 45.7699 0.0000 174.9166 25 R 4.4009 8.1428 116.6103 56.2609 31.0418 177.1662 26 L 4.4248 7.6812 119.3035 56.4184 43.2785 177.4827 27 A 3.9648 8.1176 120.2502 55.9254 18.3711 178.8689 28 T 3.6852 7.9691 110.2980 65.8080 67.2894 175.6112 29 K 4.0189 7.7640 119.6896 59.0955 32.0545 179.4989 30 I 3.7039 7.7947 118.2545 64.1649 37.0890 177.7672 31 A 4.1748 7.9421 122.6270 54.5954 18.2616 179.2217 32 T 3.6900 7.9285 107.0387 65.0232 68.5541 176.0104 33 L 4.0275 8.1180 122.7082 57.9674 42.1799 178.6519 34 L 4.0814 8.0464 119.5311 57.0931 41.5759 179.0579 35 R 4.4809 7.6959 113.4493 60.2611 30.6557 177.7722 36 G 3.5183 7.5171 103.3425 48.1125 0.0000 175.2616 37 K 3.6235 7.7157 119.4242 56.2661 32.6957 176.2267 38 H 4.6355 7.5608 114.0076 56.5839 30.1054 175.4928 39 R 4.2244 7.6830 117.9878 54.4958 29.9907 175.2208 40 P 4.4507 0.0000 0.0000 64.3743 31.0781 176.4466 41 D 5.0294 8.2098 118.2151 54.3294 40.5696 176.0684 42 W 4.6128 7.6759 129.5136 58.6793 31.0110 176.0412 43 T 3.8223 7.3004 122.1967 61.3899 69.9138 172.5786 44 P 3.6631 0.0000 0.0000 63.9605 31.2008 176.6296 45 N 4.7553 7.5741 114.7997 52.5653 38.5412 175.4498 46 V 3.7494 7.5243 117.7714 62.6188 32.9506 176.2896 47 A 3.6728 8.0048 119.7752 52.7153 14.6157 179.4380 48 M 4.5523 7.5535 119.4151 53.4763 30.7827 175.2346 49 G 4.7935 7.4486 111.2153 43.2375 0.0000 170.0470 50 D 4.8647 8.3153 118.8881 53.8314 41.8842 176.6528 51 F 4.1315 8.3763 120.2860 57.0779 40.5233 174.9084 52 V 4.5099 8.3246 121.1971 61.1101 35.0237 174.1719 53 V 4.8556 8.5570 127.2260 61.3148 33.8564 174.2398 54 V 4.7558 8.8680 129.6691 61.6948 32.9495 175.2211 55 V 4.6342 8.6969 127.6099 59.7338 34.5097 174.4466 56 N 5.0987 8.9491 116.8023 53.5915 37.1608 175.0110 57 A 4.3562 8.0729 123.9202 52.5591 19.4494 177.2254 58 D 4.0115 9.6122 112.9235 53.8902 40.7494 175.9931 59 K 4.0288 8.9314 113.0051 57.8403 31.4195 175.4240 60 I 3.9620 8.6680 112.1768 61.3119 37.9495 176.5240 61 R 4.5609 8.6038 124.5994 55.5562 32.5356 175.7073 62 V 4.2593 7.9705 114.6679 61.5280 33.3129 173.3830 63 T 3.9641 8.6339 116.6837 63.1905 68.7639 172.5334 64 G 3.6708 8.2601 107.4294 47.4330 0.0000 174.0469 65 K 4.3500 8.7651 122.9734 57.3670 32.7374 179.8189 66 K 4.9088 7.6463 120.6886 59.4500 32.2361 178.0591 67 L 3.9386 8.1762 118.6704 57.6142 41.7819 179.0984 68 E 4.2348 9.0280 117.2328 58.1898 30.3748 177.6061 69 Q 4.0269 7.9792 116.5947 58.3994 29.4312 175.9258 70 K 3.9561 7.9356 117.4104 56.9123 33.2205 174.6425 71 I 5.1867 8.4020 127.0150 59.8902 40.2737 174.6169 72 Y 4.6605 9.8042 125.9491 57.6752 39.5454 174.8251 73 T 4.9815 8.3184 117.7366 62.2327 72.6421 174.6057 74 R 4.4478 8.3804 123.6633 55.3421 33.0226 173.6367 75 Y 4.6903 8.5472 126.1355 56.5342 39.1373 175.3922 76 S 4.5095 8.6953 130.2951 58.6501 62.7628 175.4363 77 G 3.5691 8.6147 104.5802 46.5138 0.0000 173.0430 78 Y 4.2011 7.9952 116.2257 56.5498 38.5652 173.8142 79 P 4.4420 0.0000 0.0000 63.8127 31.8776 176.7032 80 G 4.0878 8.8838 109.3106 47.1062 0.0000 173.8257 81 G 4.2537 7.9511 104.6710 44.5992 0.0000 176.1954 82 L 3.8651 8.3886 123.0368 56.2150 42.6703 176.3906 83 K 3.6761 7.8203 113.1024 57.1650 29.6575 172.1831 84 K 4.9628 8.2286 124.7690 54.9977 35.1498 175.6428 85 I 4.7972 8.7277 122.7674 58.9747 40.8682 173.4718 86 P 4.8836 0.0000 0.0000 61.7732 33.2381 176.7831 87 L 3.4820 8.5313 122.2597 58.1870 41.6354 178.1498 88 E 3.7189 7.5267 115.7298 59.6456 28.9461 179.7365 89 K 4.1274 7.6891 121.6653 60.5843 32.7449 178.0001 90 M 4.0848 7.6802 118.2395 57.4128 31.5605 178.2733 91 L 4.0204 7.7995 119.8900 58.2439 42.1963 179.1771 92 A 4.3672 7.6790 116.5045 52.7049 18.1758 177.0907 93 T 4.4539 8.8760 112.6782 64.2434 72.8070 174.7527 94 H 5.3236 7.9014 116.2421 51.9045 29.4860 172.5975 95 P 4.2746 0.0000 0.0000 66.1334 30.9262 177.8381 96 E 3.9781 8.1812 116.7960 59.6865 29.5501 178.9855 97 R 4.0150 8.1331 119.5506 58.8066 30.1749 178.9823 98 V 3.9492 7.5749 117.3808 66.2290 31.5221 177.9310 99 L 4.0655 7.9300 119.3254 58.4647 42.1235 177.5796 100 E 3.9875 8.8657 118.0776 60.2980 29.4300 178.6142 101 H 3.9774 9.4254 117.8789 59.5938 29.8588 177.0616 102 A 3.9135 7.5968 120.3453 55.4117 18.0558 179.6287 103 V 3.6364 8.0364 116.2635 66.0762 31.7083 177.8366 104 K 3.9819 8.1148 119.6573 59.7918 31.7140 178.3360 105 G 3.6676 7.8621 103.3187 46.6237 0.0000 174.2851 106 M 4.4289 8.8012 119.8591 54.1261 33.0056 175.3856 107 L 4.5953 7.0898 120.0170 52.1430 43.6188 174.7005 108 P 4.3434 0.0000 0.0000 62.8699 32.0124 177.3764 109 K 4.0028 8.5400 119.4001 58.7953 32.6875 178.5568 110 G 3.8887 7.7629 105.1183 43.6995 0.0000 171.8499 111 P 4.3265 0.0000 0.0000 65.1771 31.0557 178.7619 112 L 4.0028 7.8773 119.1738 58.0582 42.1689 178.6196 113 G 4.3436 8.0776 106.5317 47.5363 0.0000 175.5737 114 R 4.0512 7.8168 119.2261 58.9022 30.5727 178.8377 115 R 4.0351 7.9905 118.5199 59.0571 30.0067 178.6597 116 L 3.9703 8.0481 119.3506 57.5458 41.4821 178.8694 117 F 4.4269 7.8577 119.1103 61.0519 39.0402 176.7585 118 K 3.9396 7.6129 116.1737 57.9608 31.9486 178.1729 119 R 3.5146 7.8026 118.1708 55.5728 29.8116 174.8924 120 L 4.9164 6.9857 119.5655 53.0822 44.3154 175.7119 121 K 4.3307 9.4644 126.7300 54.6014 34.4922 175.2596 122 V 4.6713 7.9161 125.2319 61.2196 33.4700 174.2655 123 Y 4.9299 8.8954 124.7377 55.9762 41.4663 176.6753 124 A 3.8221 9.4018 123.8799 54.4162 19.4541 178.5741 125 G 3.8324 7.9493 101.4706 44.5856 0.0000 172.0658 126 P 4.4402 0.0000 0.0000 63.4748 31.8743 175.1677 127 D 4.8108 9.1065 118.3053 55.0278 39.9041 174.2315 128 H 4.3279 8.1380 117.8832 52.7038 30.2866 172.3086 129 P 4.2595 0.0000 0.0000 62.3564 31.3379 175.6933 130 H 4.2869 10.2109 110.4138 55.9381 31.3485 172.7885 131 Q 4.2356 8.6207 125.6466 54.5587 29.9964 175.9316 132 A 4.2283 7.7412 130.9742 50.8701 19.3716 174.7206 133 Q 3.7117 7.4278 123.1320 54.6218 29.7729 172.7164 134 R 5.6116 8.1445 127.6561 55.7580 29.5979 172.9869 135 P 4.2522 0.0000 0.0000 63.4697 32.9055 177.1591 136 E 4.3282 8.8555 126.1777 56.3678 30.0588 175.7621 137 K 4.6477 9.4364 127.6175 54.7414 35.8123 175.9672 138 L 4.4448 8.4625 126.0229 53.1336 41.7787 177.3924 *139 E 4.1515 8.3398 117.5917 55.8593 30.3597 175.4201 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 4.37 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 K 7.79 4.25 0.00 1.80 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.51 7.81 3 T 8.67 3.99 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 1.27 0.00 0.00 4 Y 8.63 4.19 0.00 3.04 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 5 V 6.52 3.96 1.77 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 0.71 0.00 0.00 0.83 0.00 0.00 6 P 0.00 4.88 0.00 2.05 2.13 0.00 3.62 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 7 K 8.57 4.54 0.00 1.80 1.65 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.38 7.81 8 Q 7.96 4.19 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 9 V 8.10 4.12 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 0.79 0.00 0.00 1.03 0.00 0.00 10 E 8.52 4.12 0.00 1.99 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 2.33 2.42 0.00 11 P 0.00 4.63 0.00 2.42 2.26 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 12 R 8.58 4.54 0.00 2.02 2.19 0.00 3.02 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 13 W 9.04 4.82 0.00 3.22 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 14 V 8.46 4.84 2.13 0.00 0.00 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 0.98 0.00 0.00 15 L 8.52 5.28 0.00 1.75 1.50 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 I 9.04 4.78 1.89 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 1.13 1.25 1.01 0.00 0.00 17 D 9.12 5.40 0.00 2.71 2.55 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 18 A 8.11 4.68 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 19 E 8.11 4.06 0.00 2.11 2.47 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 2.41 2.38 0.00 20 G 7.89 4.14 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 0.00 21 K 8.37 4.54 0.00 1.68 1.75 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.57 7.81 22 T 8.30 4.56 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 23 L 7.98 4.08 0.00 1.62 1.63 1.04 1.19 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 24 G 9.19 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 0.00 0.00 0.00 0.00 25 R 8.14 4.40 0.00 1.95 1.98 0.00 3.30 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 26 L 7.68 4.42 0.00 1.74 1.77 0.93 1.01 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 27 A 8.12 3.96 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 28 T 7.97 3.69 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 1.30 0.00 0.00 29 K 7.76 4.02 0.00 1.99 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.34 7.81 30 I 7.79 3.70 1.99 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 1.46 0.74 0.90 0.00 0.00 31 A 7.94 4.17 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 32 T 7.93 3.69 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 1.09 0.00 0.00 33 L 8.12 4.03 0.00 2.01 1.70 0.91 0.49 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 34 L 8.05 4.08 0.00 1.93 1.69 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.70 4.48 0.00 2.20 2.14 0.00 3.00 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 36 G 7.52 3.52 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 0.00 0.00 0.00 37 K 7.72 3.62 0.00 1.29 1.42 0.00 1.19 0.00 0.00 1.39 0.00 0.00 2.63 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.66 0.21 7.81 38 H 7.56 4.64 0.00 3.25 3.35 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.68 4.22 0.00 2.38 2.23 0.00 3.26 0.00 0.00 3.60 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 40 P 0.00 4.45 0.00 2.29 2.38 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 2.11 2.02 0.00 41 D 8.21 5.03 0.00 2.82 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 42 W 7.68 4.61 0.00 3.21 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 43 T 7.30 3.82 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 1.00 0.00 0.00 44 P 0.00 3.66 0.00 2.04 2.03 0.00 3.17 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 45 N 7.57 4.76 0.00 2.71 2.81 0.00 0.00 6.03 7.68 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 46 V 7.52 3.75 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 0.60 0.00 0.00 0.88 0.00 0.00 47 A 8.00 3.67 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.55 4.55 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 49 G 7.45 4.79 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 50 D 8.32 4.86 0.00 2.61 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 51 F 8.38 4.13 0.00 1.51 1.57 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 52 V 8.32 4.51 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 0.95 0.00 0.00 0.90 0.00 0.00 53 V 8.56 4.86 2.19 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 1.33 0.00 0.00 1.33 0.00 0.00 54 V 8.87 4.76 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 1.03 0.00 0.00 0.95 0.00 0.00 55 V 8.70 4.63 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 0.75 0.00 0.00 1.03 0.00 0.00 56 N 8.95 5.10 0.00 2.87 3.16 0.00 0.00 7.31 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 57 A 8.07 4.36 1.33 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 0.00 0.00 58 D 9.61 4.01 0.00 2.92 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 59 K 8.93 4.03 0.00 2.00 2.17 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 60 I 8.67 3.96 1.89 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 1.35 0.55 1.04 0.00 0.00 61 R 8.60 4.56 0.00 1.78 1.91 0.00 3.33 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 62 V 7.97 4.26 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 0.64 0.00 0.00 0.96 0.00 0.00 63 T 8.63 3.96 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 64 G 8.26 3.67 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 0.00 0.00 0.00 65 K 8.77 4.35 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 66 K 7.65 4.91 0.00 1.71 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.65 7.81 67 L 8.18 3.94 0.00 1.73 1.73 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.03 4.23 0.00 1.81 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 2.44 2.25 0.00 69 Q 7.98 4.03 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 70 K 7.94 3.96 0.00 2.00 1.87 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.83 7.81 71 I 8.40 5.19 1.93 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 1.37 1.12 1.03 0.00 0.00 72 Y 9.80 4.66 0.00 2.94 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 73 T 8.32 4.98 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 74 R 8.38 4.45 0.00 1.64 1.85 0.00 3.16 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 75 Y 8.55 4.69 0.00 2.92 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 76 S 8.70 4.51 0.00 3.95 3.63 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 77 G 8.61 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 78 Y 8.00 4.20 0.00 2.95 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 79 P 0.00 4.44 0.00 2.11 2.04 0.00 4.00 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 2.08 2.12 0.00 80 G 8.88 4.09 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 0.00 81 G 7.95 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 82 L 8.39 3.87 0.00 1.68 1.77 0.98 0.76 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 83 K 7.82 3.68 0.00 1.93 1.98 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 84 K 8.23 4.96 0.00 1.81 1.80 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.46 7.81 85 I 8.73 4.80 1.90 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 1.29 1.05 0.86 0.00 0.00 86 P 0.00 4.88 0.00 2.07 2.16 0.00 3.68 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 2.00 1.93 0.00 87 L 8.53 3.48 0.00 1.63 1.79 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.53 3.72 0.00 2.03 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 2.26 2.63 0.00 89 K 7.69 4.13 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.51 7.81 90 M 7.68 4.08 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.50 0.00 91 L 7.80 4.02 0.00 1.72 1.75 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.68 4.37 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 93 T 8.88 4.45 4.22 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 1.21 0.00 0.00 94 H 7.90 5.32 0.00 3.19 3.26 0.00 5.99 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.27 0.00 2.27 2.49 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 96 E 8.18 3.98 0.00 2.18 2.27 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 2.40 2.36 0.00 97 R 8.13 4.01 0.00 2.10 2.16 0.00 3.19 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 98 V 7.57 3.95 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 1.09 0.00 0.00 0.90 0.00 0.00 99 L 7.93 4.07 0.00 1.77 1.68 0.95 0.98 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 0.00 100 E 8.87 3.99 0.00 2.25 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 0.00 2.45 2.49 0.00 101 H 9.43 3.98 0.00 3.21 3.44 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.60 3.91 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 0.00 0.00 0.00 0.00 0.00 103 V 8.04 3.64 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 1.03 0.00 0.00 0.96 0.00 0.00 104 K 8.11 3.98 0.00 1.20 1.85 0.00 1.33 0.00 0.00 1.38 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.20 7.81 105 G 7.86 3.67 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 0.00 0.00 0.00 106 M 8.80 4.43 0.00 1.77 2.18 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 107 L 7.09 4.60 0.00 1.83 1.59 1.05 1.06 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 0.00 108 P 0.00 4.34 0.00 2.19 2.03 0.00 3.61 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 2.19 2.18 0.00 109 K 8.54 4.00 0.00 1.73 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.36 7.81 110 G 7.76 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 0.00 111 P 0.00 4.33 0.00 2.16 2.11 0.00 3.59 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 2.10 2.14 0.00 112 L 7.88 4.00 0.00 1.74 1.64 0.90 1.01 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 0.00 113 G 8.08 4.34 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 0.00 0.00 0.00 114 R 7.82 4.05 0.00 1.96 2.03 0.00 3.17 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 115 R 7.99 4.04 0.00 2.09 1.99 0.00 3.08 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 116 L 8.05 3.97 0.00 1.92 1.65 1.00 0.75 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 0.00 117 F 7.86 4.43 0.00 2.90 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 0.00 118 K 7.61 3.94 0.00 1.83 1.76 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.70 7.81 119 R 7.80 3.51 0.00 1.31 0.66 0.00 2.21 0.00 0.00 2.73 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.31 0.00 120 L 6.99 4.92 0.00 1.45 1.37 0.68 0.51 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 0.00 121 K 9.46 4.33 0.00 1.92 1.75 0.00 1.74 0.00 0.00 1.50 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.87 7.81 122 V 7.92 4.67 1.95 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 0.80 0.00 0.00 0.89 0.00 0.00 123 Y 8.90 4.93 0.00 3.04 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 0.00 124 A 9.40 3.82 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 0.00 125 G 7.95 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 0.00 0.00 0.00 126 P 0.00 4.44 0.00 2.22 2.13 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 127 D 9.11 4.81 0.00 2.76 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 0.00 128 H 8.14 4.33 0.00 3.04 3.27 0.00 5.49 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.26 0.00 2.12 2.12 0.00 2.59 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 130 H 10.21 4.29 0.00 3.17 3.21 0.00 5.51 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.62 4.24 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 132 A 7.74 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.43 3.71 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.80 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 134 R 8.14 5.61 0.00 2.09 2.05 0.00 3.13 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 135 P 0.00 4.25 0.00 2.14 2.12 0.00 3.96 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 2.18 2.15 0.00 136 E 8.86 4.33 0.00 2.00 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 2.49 0.00 137 K 9.44 4.65 0.00 1.73 1.63 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.37 7.81 138 L 8.46 4.44 0.00 1.63 1.57 0.93 0.86 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 *139 E 8.34 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.