NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1636 8.1727 122.0507 56.2790 34.0809 173.9299 2 V 4.6583 8.1828 127.3193 60.6873 32.4393 174.4789 3 F 4.3488 9.3922 128.2053 57.3092 40.0749 174.9024 4 E 4.1047 8.9339 123.1076 55.9771 30.6469 176.9967 5 R 3.3686 9.0864 125.5487 60.4620 30.0261 179.4949 6 C 4.3336 8.4163 115.2503 59.6548 38.8640 175.5222 7 E 3.9113 8.5454 121.1570 59.2523 29.2280 178.7465 8 L 3.6244 8.1615 120.1924 57.8451 42.0838 178.4811 9 A 3.9298 7.8652 120.7034 55.5761 18.3552 179.9033 10 R 3.8900 8.0486 116.2303 59.6478 30.1373 179.5709 11 T 3.9030 7.8633 115.6507 66.5602 68.5097 176.8632 12 L 3.8668 8.3000 121.3825 57.4290 41.6254 179.4050 13 K 3.8834 8.1569 119.6898 59.5985 31.9494 178.7392 14 R 3.9500 7.8156 117.6174 59.0348 29.9212 177.3554 15 L 4.4866 7.4241 116.4058 53.9899 41.7924 176.7053 16 G 3.8433 7.8599 106.4037 47.0303 0.0000 175.3221 17 M 3.8723 7.7644 121.3552 56.4290 32.4665 175.7924 18 D 4.7206 7.9822 117.7536 56.6977 40.9370 175.8531 19 G 4.0008 9.5394 116.7230 45.0231 0.0000 171.4585 20 Y 4.2320 8.3855 122.3132 58.9598 39.0154 176.1444 21 R 3.6028 9.0032 125.7973 57.1505 27.9179 177.1056 22 G 3.8318 8.2923 103.2339 45.6443 0.0000 173.9722 23 I 4.1324 7.7273 122.0867 59.2535 38.2746 175.8912 24 S 4.6207 8.3398 120.8737 57.8487 65.0184 174.5808 25 L 4.1802 8.8854 124.9628 58.8413 41.6975 179.4899 26 A 4.1527 8.1250 119.8530 55.3344 18.3483 179.2344 27 N 4.4328 8.1316 114.7390 56.2429 38.5498 177.6881 28 W 4.2400 7.9458 119.9359 59.9574 29.0327 178.4696 29 M 4.1515 8.4334 118.7209 58.5878 31.4613 177.9195 30 C 3.2222 8.0817 118.6657 59.1405 44.4955 175.1206 31 L 4.0343 8.1774 121.6641 58.4421 41.6017 178.8372 32 A 4.1330 8.3771 120.5748 54.9633 18.2708 179.4778 33 K 3.0567 8.3129 118.1947 59.2901 32.1478 178.7973 34 W 4.2957 7.9306 116.2298 58.1071 29.2026 178.1914 35 E 4.3833 8.1532 118.9755 58.3026 29.7344 177.3787 36 S 4.5209 8.0053 110.1133 56.7282 64.2200 174.5669 37 G 3.6289 8.5433 108.4492 46.9565 0.0000 173.8594 38 Y 3.7011 7.5297 113.9062 58.2784 35.7780 168.2152 39 N 5.1707 7.7345 119.6166 52.2942 39.6242 175.7404 40 T 4.0650 9.1017 117.4884 63.6873 69.7228 175.7310 41 R 4.6500 8.2742 119.9520 55.8350 30.9593 176.5222 42 A 4.3710 7.8364 123.0521 52.5586 19.4639 177.2325 43 T 5.0760 8.2311 109.5222 60.4934 72.4656 172.9762 44 N 4.8653 8.6628 121.4293 52.7027 42.4900 172.3131 45 Y 4.8480 8.7517 127.9211 56.7296 40.6238 174.4146 46 N 4.5510 8.6987 124.6390 51.2515 39.2991 175.5589 47 A 3.6963 8.3537 128.1234 54.6511 18.9892 178.7444 48 G 4.0029 8.1476 104.6344 48.5497 0.0000 174.5497 49 D 4.8247 7.5165 116.9838 51.9053 39.9265 175.4519 50 R 3.8243 7.6483 115.5811 58.3111 28.3180 175.8970 51 S 4.9960 7.6891 109.6176 56.8753 66.9917 172.7845 52 T 5.0621 8.7274 115.9009 61.9248 72.7103 172.8324 53 D 5.3110 8.9872 125.4075 53.3610 43.1069 175.0267 54 Y 4.8406 9.1365 120.7502 57.5480 41.3463 177.1420 55 G 4.6181 9.1092 111.8447 46.4149 0.0000 173.3268 56 I 3.6577 8.2844 117.3921 63.5303 37.9433 177.4496 57 F 4.6346 7.9773 115.5297 56.4475 39.8415 175.2924 58 Q 3.6419 7.7855 119.1782 57.0414 26.3229 173.4943 59 I 4.5320 8.3208 119.2661 60.5382 39.6105 176.5408 60 N 5.4511 9.1616 126.0777 53.2309 39.8864 175.6851 61 S 4.7200 9.1599 120.4646 60.0791 63.3091 175.3728 62 R 3.7919 9.1157 122.6220 58.6302 30.3591 177.6605 63 Y 4.3342 7.8646 114.6409 57.5967 40.6761 176.8063 64 W 4.9158 8.1976 118.6956 57.5082 31.3738 173.8931 65 C 5.6237 8.1267 112.1055 53.7144 43.5583 172.4716 66 N 5.1623 9.3127 119.4461 52.2069 39.7707 174.8229 67 D 4.6636 8.7952 124.1859 52.2905 40.2168 176.5108 68 G 3.9713 8.5804 106.8002 46.5402 0.0000 174.4505 69 K 4.5726 8.3938 114.7584 55.6814 34.2595 175.9102 70 T 4.6771 7.6559 117.0720 60.8185 70.0165 172.0327 71 P 4.2435 0.0000 0.0000 63.6380 31.8090 176.4662 72 G 3.8051 8.7726 109.9007 46.3693 0.0000 173.3709 73 A 4.3795 7.3180 119.1381 51.3765 19.4774 177.7602 74 V 4.3656 8.4143 112.3860 59.3564 35.8776 175.9492 75 N 4.9917 8.1628 118.1507 52.0252 37.7282 174.1964 76 A 4.0919 8.9879 123.8352 54.4497 19.1843 178.5008 77 C 4.3930 8.7148 111.1475 56.4835 40.8801 173.6753 78 H 4.0645 7.6498 115.4638 56.5535 26.4430 174.5613 79 L 4.8382 8.2340 117.8153 52.8577 46.5078 177.0475 80 S 4.7252 8.3763 116.0782 58.0724 64.1384 176.1117 81 C 4.1590 8.8313 120.4699 59.5975 39.6693 176.5541 82 S 3.9239 7.9501 115.7271 61.3985 62.2167 176.2239 83 A 4.0926 7.7415 122.9621 54.2828 18.4414 177.9437 84 L 4.4808 7.8725 116.1681 55.0195 41.8849 177.5056 85 L 5.0039 7.8530 117.6878 54.5952 42.1635 176.3294 86 Q 4.6016 7.7652 117.2516 54.3948 30.4118 175.6036 87 D 4.4494 8.6898 120.2642 57.4025 41.0439 177.0482 88 N 4.5596 8.0859 117.8459 53.3661 39.3147 174.6519 89 I 4.3005 8.4150 118.5117 60.9030 38.0802 176.9290 90 A 3.9358 8.6195 125.3273 56.0226 18.1585 180.1152 91 D 4.2902 8.0817 116.4273 57.4363 40.9841 178.7245 92 A 4.1096 7.9697 120.8993 54.9929 18.4347 179.7555 93 V 3.3006 8.1611 116.8863 66.0598 31.7741 178.0197 94 A 3.8197 7.9498 120.5344 55.4029 18.0619 178.8424 95 C 4.2212 8.3651 116.6735 59.5783 40.5136 175.6368 96 A 3.9174 7.9549 122.4938 54.9458 17.8220 179.6536 97 K 3.6355 7.6857 117.0197 59.5493 31.7924 179.5086 98 R 4.0915 7.4225 117.3452 59.3002 30.4189 178.2502 99 V 2.4762 7.5715 118.2372 65.7503 31.2963 178.0004 100 V 3.9098 7.7904 110.1204 62.7627 31.3853 177.9289 101 D 4.4601 7.7521 118.3727 56.2382 41.0660 176.5201 102 D 4.6901 7.4516 118.6959 53.0768 41.6599 175.3805 103 P 4.2427 0.0000 0.0000 65.8791 31.3549 177.8883 104 Q 4.1403 8.1579 113.9312 55.8527 30.1860 176.9413 105 G 3.7398 8.0291 108.8328 47.2972 0.0000 175.9101 106 I 3.7425 7.8288 119.6130 63.2959 38.0009 177.9996 107 R 4.2775 7.3311 118.0432 58.1853 29.9761 177.5152 108 A 3.8682 7.6327 120.9959 54.3031 18.6052 178.1127 109 W 4.6658 8.1541 116.8947 55.5810 29.9668 177.7293 110 V 3.7897 8.6336 125.5055 64.7058 30.9038 178.0882 111 A 4.0941 8.2679 121.1471 54.7275 18.2793 179.2022 112 W 3.9843 8.4235 126.4335 60.6983 30.6883 178.1622 113 R 3.7524 8.0772 116.8531 59.4698 29.5919 178.4968 114 N 4.3136 8.0219 115.0610 55.3401 38.6949 176.2087 115 H 4.3395 7.6597 114.1975 55.2992 30.3382 173.8841 116 C 4.4652 7.0326 115.9206 58.0281 42.7794 174.2031 117 Q 3.2791 6.2633 119.1377 57.4079 28.6205 176.3363 118 N 4.3030 8.7398 120.2583 53.6420 36.4163 173.9629 119 R 4.5846 7.2606 116.7171 53.7677 32.6503 175.3696 120 D 4.4910 8.4984 119.7955 54.8069 41.8678 176.3252 121 V 4.7886 8.3364 118.0298 60.8286 33.4632 177.7342 122 R 4.0814 8.8112 123.3214 59.1681 29.7738 178.5631 123 Q 3.9721 8.2546 117.2654 59.8824 27.8962 178.7182 124 Y 4.2031 7.8315 117.0358 59.9257 38.1597 177.0442 125 V 4.3068 7.7783 110.7045 60.5486 33.1345 175.3394 126 Q 3.9922 7.4438 121.1539 57.8964 29.0001 176.7215 127 G 3.9314 8.9408 112.2565 46.3894 0.0000 174.4121 128 C 4.5164 8.0560 115.9149 55.7999 41.2202 173.7561 129 G 3.8860 8.0537 107.3069 47.1084 0.0000 174.0331 130 V 4.0128 7.7313 115.8439 61.2086 32.1283 176.2614 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 K 8.17 4.16 0.00 1.88 1.67 0.00 1.32 0.00 0.00 1.24 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 1.11 7.81 2 V 8.18 4.66 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 0.91 0.00 0.00 0.99 0.00 0.00 3 F 9.39 4.35 0.00 2.86 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 4 E 8.93 4.10 0.00 2.04 1.81 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 2.33 2.41 0.00 5 R 9.09 3.37 0.00 2.02 1.95 0.00 3.45 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 6 C 8.42 4.33 0.00 3.27 3.12 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 7 E 8.55 3.91 0.00 2.07 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 0.00 2.53 2.38 0.00 8 L 8.16 3.62 0.00 1.42 1.37 0.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.93 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 10 R 8.05 3.89 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.86 3.90 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 1.20 0.00 0.00 12 L 8.30 3.87 0.00 1.57 1.58 0.95 0.49 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 13 K 8.16 3.88 0.00 1.83 1.94 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.82 3.95 0.00 1.93 2.12 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.42 4.49 0.00 1.56 1.54 0.85 0.88 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 16 G 7.86 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 17 M 7.76 3.87 0.00 1.26 1.95 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 18 D 7.98 4.72 0.00 2.68 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 19 G 9.54 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 0.00 0.00 0.00 20 Y 8.39 4.23 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.00 3.60 0.00 1.89 1.84 0.00 3.33 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.47 0.00 22 G 8.29 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 23 I 7.73 4.13 1.82 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.71 -0.23 0.00 0.00 24 S 8.34 4.62 0.00 4.11 4.03 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 25 L 8.89 4.18 0.00 2.06 1.83 1.03 0.99 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 26 A 8.12 4.15 1.50 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 0.00 0.00 27 N 8.13 4.43 0.00 2.76 2.73 0.00 0.00 7.00 8.96 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 28 W 7.95 4.24 0.00 3.57 3.16 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 29 M 8.43 4.15 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.94 0.00 30 C 8.08 3.22 0.00 2.56 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.18 4.03 0.00 1.81 1.92 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.38 4.13 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 33 K 8.31 3.06 0.00 1.83 1.89 0.00 0.84 0.00 0.00 1.05 0.00 0.00 2.86 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.39 0.74 7.81 34 W 7.93 4.30 0.00 3.41 3.19 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 35 E 8.15 4.38 0.00 2.01 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 0.00 2.57 2.37 0.00 36 S 8.01 4.52 0.00 4.07 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 37 G 8.54 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 0.00 0.00 0.00 38 Y 7.53 3.70 0.00 3.29 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 39 N 7.73 5.17 0.00 2.76 2.82 0.00 0.00 6.98 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.10 4.06 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 1.44 0.00 0.00 41 R 8.27 4.65 0.00 1.88 2.02 0.00 3.18 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 42 A 7.84 4.37 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 43 T 8.23 5.08 4.12 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 1.29 0.00 0.00 44 N 8.66 4.87 0.00 2.98 2.67 0.00 0.00 6.96 7.09 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 45 Y 8.75 4.85 0.00 2.95 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 46 N 8.70 4.55 0.00 2.52 2.58 0.00 0.00 6.58 8.75 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 47 A 8.35 3.70 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 48 G 8.15 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 0.00 0.00 0.00 49 D 7.52 4.82 0.00 2.69 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 50 R 7.65 3.82 0.00 2.02 2.15 0.00 3.24 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 51 S 7.69 5.00 0.00 3.94 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 52 T 8.73 5.06 4.10 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 0.68 0.00 0.00 53 D 8.99 5.31 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.14 4.84 0.00 3.06 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 55 G 9.11 4.62 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 56 I 8.28 3.66 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.70 0.20 0.00 0.00 57 F 7.98 4.63 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.79 3.64 0.00 2.52 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 59 I 8.32 4.53 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 1.13 0.00 0.00 60 N 9.16 5.45 0.00 3.09 3.05 0.00 0.00 6.98 7.29 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 61 S 9.16 4.72 0.00 4.08 4.50 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 62 R 9.12 3.79 0.00 1.58 1.58 0.00 2.71 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 63 Y 7.86 4.33 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.20 4.92 0.00 3.57 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 65 C 8.13 5.62 0.00 3.07 3.22 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 66 N 9.31 5.16 0.00 2.81 2.71 0.00 0.00 7.10 8.41 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 67 D 8.80 4.66 0.00 2.83 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 68 G 8.58 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 0.00 0.00 0.00 0.00 69 K 8.39 4.57 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.66 7.81 70 T 7.66 4.68 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 1.17 0.00 0.00 71 P 0.00 4.24 0.00 2.02 1.98 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 72 G 8.77 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 0.00 0.00 0.00 0.00 73 A 7.32 4.38 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 74 V 8.41 4.37 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 0.63 0.00 0.00 0.89 0.00 0.00 75 N 8.16 4.99 0.00 2.79 2.65 0.00 0.00 6.76 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.99 4.09 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 77 C 8.71 4.39 0.00 3.18 3.22 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 78 H 7.65 4.06 0.00 3.32 3.36 0.00 5.80 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.23 4.84 0.00 1.70 1.50 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.38 4.73 0.00 3.95 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 81 C 8.83 4.16 0.00 2.12 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 82 S 7.95 3.92 0.00 4.03 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 83 A 7.74 4.09 1.44 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 0.00 0.00 84 L 7.87 4.48 0.00 1.94 1.82 1.05 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.85 5.00 0.00 1.79 1.71 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.77 4.60 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 7.05 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 87 D 8.69 4.45 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.09 4.56 0.00 2.70 2.75 0.00 0.00 6.91 7.94 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 89 I 8.41 4.30 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 0.94 0.00 0.00 90 A 8.62 3.94 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 91 D 8.08 4.29 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.97 4.11 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 93 V 8.16 3.30 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 0.68 0.00 0.00 0.94 0.00 0.00 94 A 7.95 3.82 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 95 C 8.37 4.22 0.00 3.17 3.12 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 96 A 7.95 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.69 3.64 0.00 1.61 1.22 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.87 7.81 98 R 7.42 4.09 0.00 1.84 2.10 0.00 3.43 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 99 V 7.57 2.48 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 -0.12 0.00 0.00 -0.53 0.00 0.00 100 V 7.79 3.91 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 1.11 0.00 0.00 1.45 0.00 0.00 101 D 7.75 4.46 0.00 2.94 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 0.00 102 D 7.45 4.69 0.00 3.05 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 0.00 103 P 0.00 4.24 0.00 2.02 2.11 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 104 Q 8.16 4.14 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 105 G 8.03 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 0.00 106 I 7.83 3.74 1.04 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 -0.10 0.80 -0.81 0.00 0.00 107 R 7.33 4.28 0.00 2.01 2.04 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.71 0.00 108 A 7.63 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.15 4.67 0.00 3.62 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 0.00 110 V 8.63 3.79 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 0.96 0.00 0.00 0.97 0.00 0.00 111 A 8.27 4.09 1.59 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 0.00 0.00 112 W 8.42 3.98 0.00 3.47 3.54 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 0.00 113 R 8.08 3.75 0.00 2.03 2.00 0.00 3.29 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 114 N 8.02 4.31 0.00 2.44 2.48 0.00 0.00 6.90 7.44 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 0.00 115 H 7.66 4.34 0.00 2.36 1.68 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 C 7.03 4.47 0.00 1.47 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 0.00 117 Q 6.26 3.28 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.01 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 118 N 8.74 4.30 0.00 2.81 2.89 0.00 0.00 6.94 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.26 4.58 0.00 1.84 1.78 0.00 3.00 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 120 D 8.50 4.49 0.00 2.65 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 0.00 121 V 8.34 4.79 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 1.02 0.00 0.00 1.04 0.00 0.00 122 R 8.81 4.08 0.00 1.98 2.02 0.00 3.17 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.25 3.97 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 1.97 1.60 0.00 124 Y 7.83 4.20 0.00 3.30 3.19 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 0.00 125 V 7.78 4.31 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 1.04 0.00 0.00 1.01 0.00 0.00 126 Q 7.44 3.99 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 127 G 8.94 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 0.00 0.00 0.00 128 C 8.06 4.52 0.00 3.11 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 0.00 129 G 8.05 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 0.00 130 V 7.73 4.01 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 0.75 0.00 0.00 0.96 0.00 0.00