NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2966 8.1227 123.5828 52.0777 20.6368 176.9311 3 V 3.6455 7.7745 114.3300 63.1018 32.0677 171.8373 4 E 4.4611 10.6561 126.9179 56.4727 33.8907 174.9805 5 Y 5.1700 8.0007 115.6881 55.9099 42.0797 174.4681 6 L 5.0425 8.9210 125.5321 53.6364 44.0232 174.9888 7 V 4.7200 9.6014 127.7253 61.4078 33.2289 175.2700 8 D 4.3027 7.9911 127.5803 52.1849 42.0447 176.9153 9 A 3.8487 8.3148 119.1824 55.6448 17.9977 179.7203 10 S 4.0805 8.0380 112.1169 61.7129 62.7007 176.4670 11 A 3.9235 8.5441 124.3659 54.6872 18.2792 179.0128 12 L 3.5854 8.1917 118.8907 58.5744 42.1061 178.7605 13 Y 4.0643 8.5809 119.1611 60.8113 38.6782 177.9909 14 A 4.1446 7.8252 121.2021 55.2082 18.6166 179.5877 15 L 4.1319 8.4958 117.7627 57.9020 41.4075 179.3506 16 A 4.5206 8.1604 119.7876 55.3503 18.2157 179.3823 17 A 4.0562 7.7444 118.4196 54.9766 19.5112 179.0323 18 H 4.7869 8.0109 115.6600 55.2019 26.3388 174.9408 19 Y 3.3671 8.1990 122.4639 60.6498 39.6715 177.8417 20 D 4.1554 8.0388 117.9905 57.4645 41.6210 179.5518 21 K 3.7769 7.2421 116.8773 58.7572 32.3990 177.8040 22 W 4.6941 7.5269 113.4596 56.2769 29.2003 176.0874 23 I 3.9619 5.8243 119.9409 62.1094 37.1402 175.1041 24 K 4.4106 8.5916 122.7400 57.2056 30.1905 177.6336 25 H 4.6819 7.6411 112.3407 56.3053 29.6738 177.4651 26 R 4.1727 7.8125 116.4741 56.8073 29.3511 176.5052 27 E 3.8138 8.9796 113.8988 57.5753 29.2070 174.3661 28 K 4.8291 8.2648 118.9300 55.1520 35.0387 175.3476 29 L 5.2788 7.9222 119.4555 53.5994 43.3201 175.4770 30 A 5.1531 9.1027 123.3295 50.6404 23.4424 174.8177 31 I 5.0249 8.8885 112.6975 59.4233 42.0237 173.9468 32 L 4.9321 8.8325 121.8825 53.0793 44.1083 178.0892 33 H 4.2395 8.7931 116.7356 58.9286 29.2105 178.0204 34 L 4.0527 8.1464 120.6674 58.3349 41.8116 178.6164 35 T 4.0501 7.5693 116.6650 66.1219 68.4246 175.9724 36 I 3.6114 7.2374 120.7741 64.9533 37.1870 178.0808 37 Y 4.0089 7.8177 116.5645 60.9343 37.6892 178.2517 38 E 3.8888 8.4688 119.3516 59.3614 29.6008 179.2408 39 A 4.0582 8.7105 121.2107 55.0671 18.4687 179.8362 40 G 3.6186 8.4739 104.6487 48.0924 0.0000 175.3999 41 N 4.4741 8.8103 119.9918 56.1384 39.0872 176.6563 42 A 3.9360 8.1929 122.3491 55.2980 18.4921 179.4521 43 L 4.2431 8.0259 120.0469 57.4364 42.1401 178.9784 44 W 4.1833 8.4392 128.5913 60.3589 30.6372 178.0998 45 K 3.4090 8.3844 118.5185 59.1268 31.1962 179.0219 46 E 3.9012 7.7403 117.2984 59.4472 29.7980 178.9061 47 A 4.1590 7.9712 120.4773 55.2030 18.1961 179.5811 48 R 3.6037 7.5634 115.5075 59.4246 30.1333 179.2560 49 L 4.4597 7.4010 114.7544 53.8541 41.5753 174.3876 50 G 3.7018 9.0970 113.5993 46.2213 0.0000 174.4452 51 R 4.3490 8.1741 121.0762 55.0758 30.9579 174.8317 52 V 3.8366 8.6015 125.0078 65.0708 33.0772 177.4881 53 D 4.3035 8.7197 118.8545 54.3166 39.2584 179.2455 54 W 3.5975 9.6021 121.0183 58.8067 30.9930 177.2203 55 A 3.2300 5.9575 119.3716 53.8985 17.7891 179.2862 56 A 3.9712 7.3814 118.3784 54.9335 18.6740 179.6870 57 A 4.0014 7.9082 119.1130 55.1900 18.4108 179.8020 58 S 4.1916 9.2297 114.0914 61.6868 63.0477 177.0170 59 R 3.8939 7.6413 120.6054 59.1357 29.8031 178.3265 60 H 3.9490 8.0541 117.5864 59.1904 29.6271 176.7418 61 L 4.0329 7.9068 120.6164 58.2547 41.9929 178.2113 62 K 4.0171 8.0776 118.1789 59.7460 32.0694 178.4277 63 K 4.2009 7.7762 117.0711 59.4159 32.2489 180.3068 64 V 4.0150 7.7980 115.7718 64.1471 30.0441 177.4735 *66 S 4.5179 8.0782 113.3326 57.8582 64.7636 175.9625 67 S 4.4068 8.3763 116.7392 61.0223 62.7341 174.5088 68 F 4.7013 7.5971 116.8613 56.3560 40.4397 175.3355 69 K 4.4982 8.5063 122.3745 55.4638 33.6997 175.3226 70 V 4.7038 8.3669 127.0267 61.5887 32.8159 175.1781 71 L 4.6291 8.4077 127.7100 53.0680 43.3722 176.2933 72 E 4.1165 8.6402 121.4362 56.1808 30.2300 176.5346 73 D 4.5402 8.4858 124.8617 53.7655 41.5425 174.7300 74 P 4.6392 0.0000 0.0000 61.3621 32.5573 174.3284 75 P 4.4146 0.0000 0.0000 61.9587 31.8756 177.4293 76 L 4.0979 8.7883 125.2330 58.2333 41.4267 176.9460 77 D 4.0369 7.5411 113.7064 58.4611 41.8991 177.0648 78 E 3.9754 8.1426 116.7431 59.6160 30.2558 181.1068 79 V 3.3894 7.0822 117.7113 62.7680 30.9273 177.9071 *81 R 4.1505 8.1550 118.2160 55.9616 31.7972 177.0344 82 V 3.6701 7.7316 116.3528 66.3006 31.4008 177.3148 83 A 4.1432 8.4070 120.3406 55.5349 18.3022 179.5109 84 V 3.5449 7.7768 115.0775 66.3516 31.4519 178.1097 85 E 4.0769 8.7622 117.3028 59.1913 29.4700 178.7809 86 R 4.3730 8.6485 115.6916 55.0695 30.9939 176.2691 87 G 3.8323 7.7211 105.6432 47.1143 0.0000 173.1481 88 L 4.7860 7.8429 117.2285 52.3235 45.2541 177.3103 89 T 4.3785 8.0043 110.7204 60.8885 71.1725 175.4621 90 F 3.9914 8.4344 122.7191 61.4079 39.7393 176.3265 91 Y 4.5187 7.6122 115.9218 61.3925 37.8590 178.1554 92 D 4.6271 8.3359 119.5897 57.3501 41.0207 178.5904 93 A 4.1301 8.4086 121.1322 54.5009 18.2343 179.8823 94 S 3.8813 7.6218 113.9419 61.7572 62.5111 176.2924 95 Y 4.1097 7.8617 118.7495 60.8306 37.5881 177.9279 96 A 4.0939 8.2749 121.8271 55.2838 18.4318 179.0739 97 Y 3.8633 8.0898 117.8770 60.7737 38.8802 178.1120 98 V 3.4390 8.1571 120.1537 65.3575 31.5890 177.4187 99 A 3.9694 8.1611 120.6919 55.5595 18.0468 179.4514 100 E 4.0423 7.8504 116.6456 59.5034 29.6443 179.4459 101 S 3.8108 7.7348 114.2609 61.1234 62.4115 175.6821 102 S 4.6924 8.0152 116.2685 56.9218 63.2052 173.9143 103 G 3.8926 8.4539 110.1578 46.7992 0.0000 173.6397 104 L 4.7615 8.3779 118.4925 52.4944 44.8916 176.8504 105 V 4.0431 8.1830 121.6981 61.7285 32.9561 174.7263 106 L 4.6308 8.5628 130.8107 54.8290 43.6218 175.1623 107 V 4.7799 8.9723 127.2004 61.6488 33.4449 174.3528 108 T 4.7558 8.6724 121.3710 61.2660 70.7482 173.6825 109 Q 4.2748 8.6617 125.7965 56.6654 30.2983 176.0582 110 D 4.3975 7.9552 118.5172 54.3518 42.0956 176.8710 111 R 3.9423 8.6217 126.5343 59.3284 30.1363 178.6113 112 E 3.9943 8.6464 119.3302 59.1128 29.4833 178.8777 113 L 3.9995 8.0691 118.7204 57.6859 41.5464 179.1145 114 L 3.9777 7.7128 117.8169 57.8074 41.6159 179.2361 115 A 4.1864 7.6851 119.2004 54.7179 18.4611 178.9049 116 K 4.4975 7.9434 114.1157 55.5134 32.4611 176.6302 117 T 4.6214 7.2710 117.4743 61.1531 71.0727 173.2742 118 K 4.0389 8.6855 128.8154 57.9972 32.2817 176.9886 119 G 3.9375 9.0113 115.3167 44.7125 0.0000 173.0898 120 A 4.5740 7.2044 121.4216 52.5447 19.2523 176.6980 121 I 4.7662 8.7368 112.7599 59.6698 42.1917 173.8906 122 D 5.4950 8.2767 122.2498 51.3211 42.0072 177.4137 123 V 3.5487 8.3640 117.0429 66.1161 31.1412 177.5458 124 E 3.9596 8.2109 118.7076 59.4345 29.5075 178.8436 125 T 3.8566 8.5699 116.2867 66.4381 68.5271 176.3637 126 L 3.7686 7.8641 122.2575 58.1729 42.0203 179.0296 127 L 3.9827 7.9251 118.8001 57.9646 41.3169 179.9771 128 V 3.7104 7.4107 111.3828 64.0664 31.6087 178.6626 129 R 4.0737 7.9095 118.0791 59.3723 30.0477 179.1375 130 L 3.8186 8.0335 118.4553 57.4414 41.3162 179.3868 131 A 4.1408 7.7644 119.9514 54.6399 18.2886 179.3236 132 A 4.0786 7.4180 119.1983 55.3511 18.6156 177.5225 133 Q 4.1504 7.5257 118.2248 56.2986 28.8825 175.9266 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 A 8.12 4.30 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 3 V 7.77 3.65 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 0.89 0.00 0.00 0.98 0.00 0.00 4 E 10.66 4.46 0.00 1.62 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.40 0.00 5 Y 8.00 5.17 0.00 2.93 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 6 L 8.92 5.04 0.00 1.81 1.60 1.08 1.26 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 7 V 9.60 4.72 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 0.57 0.00 0.00 0.89 0.00 0.00 8 D 7.99 4.30 0.00 1.58 1.54 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 9 A 8.31 3.85 1.30 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 0.00 0.00 10 S 8.04 4.08 0.00 4.01 4.08 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 11 A 8.54 3.92 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 12 L 8.19 3.59 0.00 1.58 1.83 0.98 0.12 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 13 Y 8.58 4.06 0.00 3.15 2.98 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 14 A 7.83 4.14 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 15 L 8.50 4.13 0.00 1.69 1.32 0.52 0.79 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 16 A 8.16 4.52 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.06 1.19 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 0.00 0.00 0.00 18 H 8.01 4.79 0.00 3.48 3.37 0.00 5.65 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.20 3.37 0.00 2.93 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 20 D 8.04 4.16 0.00 2.69 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 21 K 7.24 3.78 0.00 1.99 1.96 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.43 7.81 22 W 7.53 4.69 0.00 3.48 3.25 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 23 I 5.82 3.96 1.43 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.36 0.67 0.00 0.00 24 K 8.59 4.41 0.00 1.77 1.90 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.30 7.81 25 H 7.64 4.68 0.00 3.51 3.38 0.00 5.66 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 26 R 7.81 4.17 0.00 2.08 2.11 0.00 3.14 0.00 0.00 3.39 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 27 E 8.98 3.81 0.00 2.25 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 2.22 2.24 0.00 28 K 8.26 4.83 0.00 2.18 2.00 0.00 1.89 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.40 7.81 29 L 7.92 5.28 0.00 1.70 1.84 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.10 5.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.89 5.02 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.57 0.00 0.00 32 L 8.83 4.93 0.00 1.43 1.53 0.30 1.19 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 33 H 8.79 4.24 0.00 3.40 3.50 0.00 5.63 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 34 L 8.15 4.05 0.00 1.68 1.59 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.57 4.05 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 1.13 0.00 0.00 36 I 7.24 3.61 1.63 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 1.48 0.61 0.66 0.00 0.00 37 Y 7.82 4.01 0.00 3.16 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 38 E 8.47 3.89 0.00 2.18 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 2.17 2.21 0.00 39 A 8.71 4.06 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 40 G 8.47 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.81 4.47 0.00 2.82 2.99 0.00 0.00 7.15 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 42 A 8.19 3.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.24 0.00 2.14 1.99 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.44 4.18 0.00 3.44 3.47 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 45 K 8.38 3.41 0.00 1.99 1.72 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.43 1.92 7.81 46 E 7.74 3.90 0.00 2.23 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 2.67 2.68 0.00 47 A 7.97 4.16 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 48 R 7.56 3.60 0.00 1.29 1.60 0.00 3.08 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 49 L 7.40 4.46 0.00 1.54 1.62 0.86 0.77 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 50 G 9.10 3.70 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 0.00 0.00 0.00 51 R 8.17 4.35 0.00 1.83 1.85 0.00 3.26 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 52 V 8.60 3.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 53 D 8.72 4.30 0.00 2.84 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 0.00 0.00 0.00 0.00 54 W 9.60 3.60 0.00 3.58 3.30 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 55 A 5.96 3.23 0.23 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 56 A 7.38 3.97 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 57 A 7.91 4.00 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 58 S 9.23 4.19 0.00 4.10 4.51 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 59 R 7.64 3.89 0.00 2.15 2.00 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 60 H 8.05 3.95 0.00 3.19 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.91 4.03 0.00 2.01 1.79 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.08 4.02 0.00 1.92 2.14 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 63 K 7.78 4.20 0.00 1.83 1.74 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 64 V 7.80 4.02 2.51 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 1.83 0.00 0.00 1.24 0.00 0.00 *66 S 8.08 4.52 0.00 4.14 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 0.00 67 S 8.38 4.41 0.00 4.16 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 68 F 7.60 4.70 0.00 2.96 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 69 K 8.51 4.50 0.00 1.95 1.74 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.56 7.81 70 V 8.37 4.70 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 0.57 0.00 0.00 0.95 0.00 0.00 71 L 8.41 4.63 0.00 1.59 1.60 0.95 0.81 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 72 E 8.64 4.12 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 73 D 8.49 4.54 0.00 2.74 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 74 P 0.00 4.64 0.00 1.91 2.15 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 75 P 0.00 4.41 0.00 2.05 1.93 0.00 3.29 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 2.11 2.08 0.00 76 L 8.79 4.10 0.00 1.64 1.73 0.79 1.16 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 77 D 7.54 4.04 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.98 0.00 1.16 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 2.29 2.27 0.00 79 V 7.08 3.39 1.74 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 -0.14 0.00 0.00 0.54 0.00 0.00 *81 R 8.15 4.15 0.00 1.90 2.09 0.00 3.26 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 82 V 7.73 3.67 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.14 0.00 0.00 83 A 8.41 4.14 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 0.00 0.00 84 V 7.78 3.54 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 85 E 8.76 4.08 0.00 2.02 2.01 0.00 0.00 0.00 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 2.44 0.00 86 R 8.65 4.37 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 87 G 7.72 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 88 L 7.84 4.79 0.00 1.63 1.60 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.00 4.38 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 1.26 0.00 0.00 90 F 8.43 3.99 0.00 2.84 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 91 Y 7.61 4.52 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.34 4.63 0.00 2.83 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 93 A 8.41 4.13 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 94 S 7.62 3.88 0.00 3.84 3.59 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 95 Y 7.86 4.11 0.00 3.21 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 96 A 8.27 4.09 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 97 Y 8.09 3.86 0.00 3.14 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 98 V 8.16 3.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.07 0.00 0.00 99 A 8.16 3.97 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 0.00 100 E 7.85 4.04 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 101 S 7.73 3.81 0.00 3.72 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 0.00 102 S 8.02 4.69 0.00 3.90 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 0.00 103 G 8.45 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 0.00 104 L 8.38 4.76 0.00 1.54 1.53 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.18 4.04 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 1.21 0.00 0.00 0.78 0.00 0.00 106 L 8.56 4.63 0.00 1.80 1.54 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.97 4.78 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 0.78 0.00 0.00 0.95 0.00 0.00 108 T 8.67 4.76 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 1.17 0.00 0.00 109 Q 8.66 4.27 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 110 D 7.96 4.40 0.00 2.73 2.51 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 0.00 111 R 8.62 3.94 0.00 1.86 1.96 0.00 3.34 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 112 E 8.65 3.99 0.00 2.04 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 2.32 2.36 0.00 113 L 8.07 4.00 0.00 1.85 1.69 0.90 0.76 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 0.00 114 L 7.71 3.98 0.00 1.79 1.74 0.91 0.86 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 0.00 115 A 7.69 4.19 1.34 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 0.00 116 K 7.94 4.50 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.58 7.81 117 T 7.27 4.62 4.35 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 1.22 0.00 0.00 118 K 8.69 4.04 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 119 G 9.01 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 0.00 120 A 7.20 4.57 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 0.00 121 I 8.74 4.77 1.89 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 1.36 0.75 1.03 0.00 0.00 122 D 8.28 5.50 0.00 3.01 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 0.00 123 V 8.36 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 124 E 8.21 3.96 0.00 2.07 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 0.00 125 T 8.57 3.86 4.39 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 1.22 0.00 0.00 126 L 7.86 3.77 0.00 1.57 1.70 -0.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.93 3.98 0.00 1.88 1.68 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.41 3.71 2.07 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 0.82 0.00 0.00 1.00 0.00 0.00 129 R 7.91 4.07 0.00 2.03 1.99 0.00 3.17 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 130 L 8.03 3.82 0.00 1.62 1.50 0.88 0.53 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 0.00 131 A 7.76 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.42 4.08 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 0.00 133 Q 7.53 4.15 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.