NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2437 8.3049 120.3521 54.9800 33.2933 179.4073 2 L 3.2433 7.5021 112.9815 51.2554 39.9128 173.4435 3 Q 4.1753 8.0150 120.7511 54.4918 30.9544 171.4080 4 P 4.1389 0.0000 0.0000 62.9140 31.5199 176.0249 5 K 3.9447 8.7562 124.6957 58.8758 32.2268 176.2194 6 R 4.7701 7.3723 111.5811 55.2616 32.3253 174.0383 7 T 4.5815 7.9113 112.9105 62.5449 72.3193 175.0740 8 K 3.9989 8.6954 124.6735 57.7396 32.2929 177.0204 9 F 4.7246 7.7371 116.6379 55.6837 41.7816 174.3992 10 R 4.1737 9.0553 125.3805 58.8059 30.0993 176.9758 11 K 4.5767 7.8433 115.0154 54.7633 35.0884 175.4147 12 M 4.5543 8.0800 120.6306 53.5642 33.9789 174.9962 13 H 4.4237 7.9874 117.7223 55.6182 29.2874 176.0206 14 K 4.5793 8.4581 133.8219 55.8780 34.6792 176.9102 15 G 3.7250 8.1179 107.4298 47.5615 0.0000 172.1145 16 R 4.5824 7.8790 118.0171 55.7483 30.9008 174.2055 17 N 4.5636 8.6283 118.3134 54.1731 39.7223 175.9109 18 R 4.5364 8.2929 117.4707 55.3770 31.8049 174.6101 19 G 3.7910 8.2517 108.7240 45.3370 0.0000 169.0701 20 L 3.4347 8.3919 124.8695 54.1272 39.0375 174.5693 21 A 4.5651 7.9460 124.8979 51.2696 20.1775 176.7409 22 Q 4.3870 8.5433 117.7889 57.0841 30.4811 177.1563 23 G 3.8896 7.7436 108.0199 44.8466 0.0000 173.3172 24 T 4.3070 7.6716 120.1178 65.7639 70.0003 175.6311 25 D 4.4787 7.6544 120.5941 54.2359 41.5463 177.2547 26 V 4.1232 7.9566 121.3653 62.4597 30.0570 175.1154 27 S 4.4434 8.4162 120.2042 58.0763 62.4371 174.7014 28 F 4.1844 7.5570 117.8778 57.4882 42.2474 176.2959 29 G 4.5015 9.7911 110.7942 44.6115 0.0000 173.0043 30 S 4.4610 8.2783 112.3290 58.2592 63.3946 174.5154 31 F 5.1207 8.1575 120.1039 56.5275 43.3601 173.8352 32 G 4.6367 8.8653 110.1748 44.6221 0.0000 170.4430 33 L 5.2881 8.6611 121.5548 53.0160 42.7134 176.0674 34 K 4.2228 9.1589 128.0981 56.5822 33.7280 175.8389 35 A 4.0384 8.5646 125.6624 49.2831 18.0335 176.1085 36 V 3.1820 8.6324 117.6068 59.3575 29.4038 170.3907 37 G 4.1860 7.3379 109.0220 43.0902 0.0000 170.3340 38 R 4.6911 9.3563 118.0663 53.5416 33.7911 176.9101 39 G 3.8967 6.4611 104.2661 45.3365 0.0000 171.2367 40 R 4.8091 7.9742 115.8090 54.4344 32.5631 175.0157 41 L 4.7808 8.3927 122.4227 53.1900 43.0939 176.1542 42 T 4.2296 8.4054 121.1481 63.8014 68.4286 175.5958 43 A 4.0024 8.6345 125.1495 55.2857 18.2661 180.4677 44 R 4.1861 7.8675 115.9858 58.7558 30.3981 178.7417 45 Q 4.0062 8.0136 117.7568 59.0778 28.3887 178.8084 46 I 4.3394 7.6192 114.1893 62.4205 37.6741 176.9718 47 E 4.3138 7.5626 117.8066 57.8013 29.9150 177.6628 48 A 3.9637 8.4098 121.3514 54.9458 18.1761 179.2697 49 A 3.8294 8.2917 119.6852 55.4383 18.4175 179.9130 50 R 3.8254 7.8191 116.0371 59.4974 30.1596 178.3799 51 R 3.8401 8.1673 118.5396 59.4805 29.7293 178.3432 52 A 4.0363 8.3866 120.6474 55.0913 18.1129 179.4307 53 M 4.0057 7.4246 115.9157 59.3663 32.6914 178.3627 54 T 4.0166 8.0033 115.8942 66.1756 68.3017 176.3998 55 R 3.8334 7.7578 120.0851 60.0891 30.0653 177.6841 56 A 4.0097 7.3389 118.3488 55.2408 18.4096 179.2487 57 V 3.5426 7.6000 109.9435 64.6094 32.2857 178.1135 58 K 3.8701 8.1892 116.3742 56.1477 30.5498 177.1574 59 R 4.2843 8.2928 114.9154 57.0815 27.3609 175.6862 60 Q 4.3414 7.7243 117.5001 55.3225 33.2506 176.0315 61 G 3.7572 8.8207 112.3329 44.3049 0.0000 171.6921 62 K 4.4374 8.1120 118.8004 54.5214 35.8775 176.5368 63 I 5.0656 7.4704 124.2958 58.3660 40.6125 174.6202 64 W 5.0447 8.8262 126.1162 54.8649 33.1585 174.9420 65 I 4.3770 8.2691 122.3563 59.8173 38.6075 175.4547 66 R 4.0553 8.7187 127.6847 58.8512 30.6419 178.6590 67 V 3.8454 7.5711 111.4937 60.8868 32.3004 175.1868 68 F 4.6955 8.2424 125.3089 55.6932 41.5469 172.4263 69 P 3.4807 0.0000 0.0000 62.2813 31.3869 175.9126 70 D 4.9230 7.5295 124.0204 55.0050 41.6742 174.1229 71 K 4.4672 7.9874 117.5962 55.0536 34.9614 174.4425 72 P 3.6383 0.0000 0.0000 63.0380 29.8543 177.5404 73 I 3.4594 9.3998 126.3277 62.4551 36.8241 172.1622 74 T 4.5707 7.8302 114.1076 59.8212 71.7487 173.1737 75 E 4.6637 8.1390 121.6129 54.5701 33.6357 175.0077 76 K 4.2820 8.8847 125.6100 54.6535 32.9673 174.0547 77 P 4.3381 0.0000 0.0000 63.1619 32.5557 176.9521 78 L 4.3517 8.9987 127.4944 56.4452 43.2085 175.7497 79 A 4.3939 8.7801 119.4088 52.4626 19.3912 178.6024 80 V 4.3806 7.4388 119.4803 60.6795 33.5710 176.0895 81 R 4.0630 8.3603 122.1216 56.3325 30.5517 176.3304 82 M 4.1039 8.5178 119.8215 55.3716 32.5890 177.4537 83 G 3.8825 8.6094 101.6980 47.3054 0.0000 174.3498 84 K 4.3513 8.0570 128.2856 55.7944 33.6500 175.5255 85 G 4.0022 8.2657 104.4007 43.6794 0.0000 174.9756 86 K 4.1397 8.4725 121.8919 54.7239 31.2993 176.3182 87 G 4.1049 8.5334 113.2576 46.2953 0.0000 171.2891 88 N 4.7750 8.6833 120.0657 51.9946 39.1335 174.7540 89 V 3.8789 8.0910 112.7658 61.9883 31.7460 176.1496 90 E 4.5343 8.1379 119.0525 57.3374 32.9152 175.5595 91 Y 4.9216 6.8823 113.3581 55.5618 40.7597 174.6902 92 W 5.6268 9.2209 120.4342 55.4514 32.1950 175.4213 93 V 4.7354 9.2279 119.5685 60.7978 34.8097 172.8224 94 A 5.0646 8.3380 125.3605 49.2337 20.6818 175.6321 95 L 4.3451 8.7418 122.5980 56.4108 42.3011 177.0788 96 I 4.6575 8.2810 118.4776 59.2119 40.4003 174.7340 97 Q 4.8906 8.2745 120.3288 53.3495 32.4880 172.4924 98 P 4.4632 0.0000 0.0000 63.9295 31.6753 175.9320 99 G 4.0956 9.7071 113.2182 45.7071 0.0000 173.7469 100 K 4.0287 8.4747 120.1814 56.7995 33.1886 176.8980 101 V 3.8150 8.8477 126.5910 61.7869 31.5347 175.8405 102 L 4.0986 9.5042 128.8229 55.4975 41.9601 177.8147 103 Y 5.5132 7.7588 114.0031 55.9158 41.7350 173.6198 104 E 5.6288 8.7820 117.6416 55.7133 34.1949 174.2133 105 M 5.0207 10.3558 120.7686 53.4887 35.9176 174.6325 106 D 4.7933 8.5673 117.8755 55.5189 47.3800 176.3800 107 G 4.0854 8.0382 106.5110 44.9110 0.0000 173.3034 108 V 4.1736 7.1237 115.2343 59.8904 34.0056 170.6094 109 P 4.5339 0.0000 0.0000 62.1947 31.8002 175.8512 110 E 3.8869 8.2890 118.5691 56.4074 27.3090 174.6894 111 E 4.4923 7.4965 130.1746 57.7314 36.9345 176.4939 112 L 4.2095 7.6342 118.2584 55.1660 42.2671 176.6383 113 A 4.2275 7.5425 119.8270 53.7577 20.3541 179.7292 114 R 2.6232 7.3399 115.3271 58.4362 30.0767 177.5094 115 E 3.8536 7.7843 116.9330 56.8852 29.9870 177.1817 116 A 4.1550 7.5223 120.6578 53.7877 19.0820 178.1341 117 F 5.1840 7.5444 113.7679 57.4189 39.2407 176.5905 118 K 4.3994 8.0977 123.1776 56.7734 34.0100 176.2437 119 L 4.3742 7.4571 117.7152 54.8485 42.4491 176.2203 120 A 4.5126 7.3378 120.7852 53.2044 20.7505 178.4632 121 A 3.9441 8.0323 118.2636 55.1095 18.5109 178.8038 122 A 4.2203 7.8795 116.3330 53.5552 18.7857 177.8498 123 K 4.3707 7.7888 114.1792 56.0060 32.6467 176.4109 124 L 4.6775 7.2725 118.6655 52.8571 43.4168 174.3624 125 P 4.7984 0.0000 0.0000 62.2428 31.5566 175.3034 126 I 4.5218 7.4845 112.1429 59.3401 40.0357 174.4521 127 K 3.9377 8.6344 123.4616 56.7988 32.6376 175.5695 128 T 5.5868 8.2444 111.9446 59.1749 72.1075 172.8124 129 T 4.6897 8.0687 116.4831 60.6582 70.7708 172.0428 130 F 5.3947 8.7961 124.8964 56.4585 41.3344 174.7316 131 V 4.5720 7.6835 124.5854 60.8671 34.9552 174.6212 132 T 4.6891 8.5946 117.6826 61.4857 67.2773 174.8839 133 K 4.1807 8.6023 114.8749 56.6240 35.7708 171.9267 134 T 3.5398 7.9364 121.5513 62.6113 70.1532 169.4136 135 V 3.5211 8.8778 126.6440 64.4916 30.0813 175.4076 136 M 4.1285 9.1729 117.8427 55.5825 32.0977 174.3261 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 4.24 0.00 1.99 1.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 L 7.50 3.24 0.00 1.59 1.30 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.02 4.18 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 4 P 0.00 4.14 0.00 2.20 2.03 0.00 2.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.67 0.00 5 K 8.76 3.94 0.00 1.67 1.84 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.48 7.81 6 R 7.37 4.77 0.00 1.88 1.82 0.00 3.09 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 7 T 7.91 4.58 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 8 K 8.70 4.00 0.00 1.63 1.29 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.36 7.81 9 F 7.74 4.72 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.17 0.00 1.84 2.02 0.00 3.37 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 11 K 7.84 4.58 0.00 1.69 1.62 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.40 7.81 12 M 8.08 4.55 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 13 H 7.99 4.42 0.00 3.10 3.16 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.46 4.58 0.00 1.70 1.79 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 1.20 7.81 15 G 8.12 3.73 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 0.00 0.00 0.00 16 R 7.88 4.58 0.00 1.94 1.91 0.00 3.04 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 17 N 8.63 4.56 0.00 2.73 2.81 0.00 0.00 6.80 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 18 R 8.29 4.54 0.00 1.76 1.83 0.00 3.49 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 19 G 8.25 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.39 3.43 0.00 1.83 1.78 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.95 4.57 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 22 Q 8.54 4.39 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 23 G 7.74 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 24 T 7.67 4.31 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 25 D 7.65 4.48 0.00 2.64 2.58 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 26 V 7.96 4.12 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 0.96 0.00 0.00 0.97 0.00 0.00 27 S 8.42 4.44 0.00 3.61 3.42 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 28 F 7.56 4.18 0.00 2.93 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 29 G 9.79 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 0.00 0.00 0.00 30 S 8.28 4.46 0.00 3.25 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 31 F 8.16 5.12 0.00 3.04 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 32 G 8.87 4.64 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 0.00 0.00 0.00 33 L 8.66 5.29 0.00 1.26 1.46 0.41 0.84 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 34 K 9.16 4.22 0.00 1.97 1.78 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.48 7.81 35 A 8.56 4.04 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 36 V 8.63 3.18 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 0.80 0.00 0.00 0.98 0.00 0.00 37 G 7.34 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 0.00 0.00 0.00 0.00 38 R 9.36 4.69 0.00 1.78 1.82 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 39 G 6.46 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 0.00 0.00 0.00 40 R 7.97 4.81 0.00 1.82 1.90 0.00 3.08 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 41 L 8.39 4.78 0.00 1.64 1.66 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.41 4.23 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 1.09 0.00 0.00 43 A 8.63 4.00 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 44 R 7.87 4.19 0.00 1.83 1.96 0.00 3.07 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 45 Q 8.01 4.01 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 46 I 7.62 4.34 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.91 0.00 0.00 47 E 7.56 4.31 0.00 2.22 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 2.26 2.46 0.00 48 A 8.41 3.96 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 49 A 8.29 3.83 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 50 R 7.82 3.83 0.00 2.41 2.22 0.00 3.17 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 1.71 1.83 0.00 51 R 8.17 3.84 0.00 2.10 2.08 0.00 3.15 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 52 A 8.39 4.04 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 53 M 7.42 4.01 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 54 T 8.00 4.02 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 1.21 0.00 0.00 55 R 7.76 3.83 0.00 1.95 2.08 0.00 3.32 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 56 A 7.34 4.01 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 57 V 7.60 3.54 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 0.79 0.00 0.00 0.95 0.00 0.00 58 K 8.19 3.87 0.00 1.93 1.87 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.56 7.81 59 R 8.29 4.28 0.00 1.76 1.86 0.00 3.22 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 60 Q 7.72 4.34 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.36 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 61 G 8.82 3.76 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 0.00 0.00 0.00 62 K 8.11 4.44 0.00 1.51 0.94 0.00 1.25 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.21 7.81 63 I 7.47 5.07 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.98 0.00 0.00 64 W 8.83 5.04 0.00 3.33 2.66 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 0.00 0.00 0.00 0.00 65 I 8.27 4.38 1.82 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 1.28 0.63 0.57 0.00 0.00 66 R 8.72 4.06 0.00 1.82 1.96 0.00 3.21 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 67 V 7.57 3.85 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 0.64 0.00 0.00 0.76 0.00 0.00 68 F 8.24 4.70 0.00 2.88 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 69 P 0.00 3.48 0.00 1.50 1.77 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 70 D 7.53 4.92 0.00 3.19 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 71 K 7.99 4.47 0.00 2.03 1.95 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 72 P 0.00 3.64 0.00 2.05 1.55 0.00 3.69 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 73 I 9.40 3.46 1.50 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 0.13 0.00 0.00 74 T 7.83 4.57 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 75 E 8.14 4.66 0.00 1.65 1.84 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 2.24 2.21 0.00 76 K 8.88 4.28 0.00 1.75 1.72 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.45 7.81 77 P 0.00 4.34 0.00 2.08 1.07 0.00 3.66 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 2.03 2.12 0.00 78 L 9.00 4.35 0.00 1.55 1.37 0.92 0.97 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 79 A 8.78 4.39 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 80 V 7.44 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 81 R 8.36 4.06 0.00 1.82 1.91 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 82 M 8.52 4.10 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 83 G 8.61 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.06 4.35 0.00 1.71 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.36 7.81 85 G 8.27 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 86 K 8.47 4.14 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 87 G 8.53 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 0.00 0.00 0.00 0.00 88 N 8.68 4.78 0.00 2.81 2.93 0.00 0.00 6.21 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 89 V 8.09 3.88 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 0.33 0.00 0.00 0.77 0.00 0.00 90 E 8.14 4.53 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 91 Y 6.88 4.92 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 92 W 9.22 5.63 0.00 3.28 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 93 V 9.23 4.74 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 0.74 0.00 0.00 1.07 0.00 0.00 94 A 8.34 5.06 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 95 L 8.74 4.35 0.00 1.55 1.91 0.96 0.94 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 96 I 8.28 4.66 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 1.31 0.92 1.01 0.00 0.00 97 Q 8.27 4.89 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 98 P 0.00 4.46 0.00 2.11 2.09 0.00 3.85 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 2.14 2.01 0.00 99 G 9.71 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 0.00 0.00 0.00 0.00 100 K 8.47 4.03 0.00 1.88 1.82 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.68 7.81 101 V 8.85 3.82 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 0.75 0.00 0.00 1.07 0.00 0.00 102 L 9.50 4.10 0.00 1.86 1.55 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.76 5.51 0.00 2.54 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 0.00 104 E 8.78 5.63 0.00 2.37 2.26 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 2.56 2.54 0.00 105 M 10.36 5.02 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.23 0.00 106 D 8.57 4.79 0.00 2.73 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 0.00 107 G 8.04 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 0.00 108 V 7.12 4.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.88 0.00 0.00 109 P 0.00 4.53 0.00 2.19 2.07 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 110 E 8.29 3.89 0.00 1.95 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 2.37 2.32 0.00 111 E 7.50 4.49 0.00 1.91 1.75 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 2.14 2.19 0.00 112 L 7.63 4.21 0.00 1.40 1.54 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.54 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.34 2.62 0.00 0.67 1.39 0.00 2.84 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 115 E 7.78 3.85 0.00 2.10 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 2.17 2.30 0.00 116 A 7.52 4.16 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 0.00 117 F 7.54 5.18 0.00 3.11 3.11 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 0.00 0.00 0.00 0.00 118 K 8.10 4.40 0.00 1.82 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.27 7.81 119 L 7.46 4.37 0.00 1.56 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.34 4.51 1.20 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 0.00 0.00 0.00 121 A 8.03 3.94 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 0.00 122 A 7.88 4.22 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 0.00 123 K 7.79 4.37 0.00 1.74 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 124 L 7.27 4.68 0.00 1.66 1.60 0.94 1.03 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 0.00 125 P 0.00 4.80 0.00 2.17 2.13 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.19 0.00 126 I 7.48 4.52 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 1.49 0.49 0.97 0.00 0.00 127 K 8.63 3.94 0.00 1.91 1.92 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.67 7.81 128 T 8.24 5.59 4.57 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 1.44 0.00 0.00 129 T 8.07 4.69 4.32 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 1.29 0.00 0.00 130 F 8.80 5.39 0.00 3.08 3.01 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 0.00 131 V 7.68 4.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 132 T 8.59 4.69 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 1.34 0.00 0.00 133 K 8.60 4.18 0.00 1.53 1.61 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.33 7.81 134 T 7.94 3.54 4.21 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 1.21 0.00 0.00 135 V 8.88 3.52 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 0.74 0.00 0.00 0.92 0.00 0.00 136 M 9.17 4.13 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00