NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4787 8.3049 120.3304 55.4857 33.1961 174.4348 2 M 4.4328 8.5760 123.6825 53.1091 34.2066 170.2438 3 V 4.3760 8.3121 122.1107 60.7933 34.3157 174.0896 4 W 4.6393 8.9463 135.0000 57.4731 31.1467 175.3025 5 T 4.2000 8.1474 124.0105 61.4012 67.0472 172.6594 6 P 4.5765 0.0000 0.0000 63.2808 32.2615 175.7543 7 V 4.3196 7.1665 118.0943 60.9430 34.0860 175.0553 8 N 4.6529 8.4471 122.3814 52.6988 37.5989 174.7216 9 N 5.0565 8.1793 125.3373 52.6218 39.8081 174.7717 10 K 4.0507 8.3303 116.1391 56.6298 32.7289 176.6503 11 M 5.0054 8.3037 121.3713 54.1415 35.0784 175.6993 12 F 4.5688 8.6233 117.0013 56.9189 41.1522 176.2506 13 E 3.5234 8.4697 121.5551 57.0178 27.7764 175.0254 14 T 3.8752 8.3829 121.1494 66.6151 68.9771 174.2115 15 F 4.5256 9.0795 124.0956 57.6239 36.6162 176.3283 16 S 4.5049 8.2798 114.7716 60.2418 63.0655 174.4610 17 Y 4.4083 8.2721 117.4681 58.2188 38.1909 175.1696 18 L 4.6771 7.6163 120.0799 52.2982 43.4525 174.6512 19 P 4.4559 0.0000 0.0000 61.8612 31.8177 174.9517 20 P 4.2752 0.0000 0.0000 62.9448 31.7450 176.4251 21 L 4.0211 8.3290 122.8742 54.6156 42.2307 177.8949 22 T 4.1926 8.2031 113.8752 61.3023 70.9539 175.2643 23 D 4.3320 8.5369 121.0760 57.5708 40.7924 178.7243 24 E 3.9328 8.1016 119.3086 59.3597 29.8036 178.7838 25 Q 3.9318 8.0085 118.2183 58.7508 28.6857 178.7122 26 I 3.7235 8.0261 120.8576 64.3866 37.1380 178.1698 27 A 4.0253 8.3841 121.7577 55.3166 18.2404 179.5507 28 A 3.9593 8.0880 119.1395 55.3971 18.4430 179.9483 29 Q 4.1151 7.9780 116.2303 59.0997 28.7925 179.0345 30 V 3.7564 8.2397 119.4626 66.1318 31.5813 177.7022 31 D 4.4182 8.5020 118.9237 57.6230 40.6969 178.2313 32 Y 4.2115 8.1510 119.7207 60.6471 38.7876 178.0605 33 I 3.7753 7.9190 120.7004 64.5120 37.3092 178.6259 34 V 3.4906 7.7868 118.6378 65.9729 31.1860 177.6991 35 A 3.9077 8.1065 119.6375 54.9512 18.2353 178.4344 36 N 4.0975 7.1947 111.3801 52.1921 38.6857 175.7247 37 G 3.7605 7.3976 108.2986 46.1376 0.0000 174.1048 38 W 4.9395 7.4780 118.7630 55.9758 30.7369 176.3866 39 I 4.3392 8.9476 123.4178 59.6725 37.7491 174.0759 40 P 4.8661 0.0000 0.0000 62.9335 32.7875 175.1593 41 C 4.9652 8.7883 120.8807 58.5139 35.5634 172.4888 42 L 5.3150 8.7184 124.0450 53.2546 44.4853 175.1823 43 E 5.6449 9.1558 120.7574 55.0552 34.2531 174.4882 44 F 5.5893 9.1657 115.9683 56.1306 42.0264 172.8928 45 A 4.4938 8.2628 119.9143 50.3475 22.6275 176.2961 46 E 4.2983 8.5821 118.6306 55.6626 30.7730 177.7091 47 A 4.2729 8.8197 122.7577 55.8032 18.4349 179.9156 48 D 4.5069 8.1906 113.5560 56.5610 41.0210 177.3016 49 K 4.6088 7.9425 117.1465 56.0593 32.4940 176.9254 50 A 3.8858 7.6859 124.5867 53.8727 18.8912 178.3677 51 Y 4.7377 7.4659 111.6783 55.4509 40.2584 175.9626 52 V 3.8397 8.3953 122.5150 62.6760 31.6395 175.4262 53 S 4.7345 9.0096 116.3938 57.5249 66.3332 173.6961 54 N 5.2446 8.5698 114.1796 52.4533 39.8111 176.2443 55 E 3.9727 8.3394 118.9008 59.8474 29.2773 179.2248 56 S 3.9742 8.8768 115.6344 60.7086 62.8368 176.0581 57 A 2.5800 7.6317 123.2327 53.6290 17.7320 179.0478 58 I 3.5765 6.9626 116.9125 63.7819 38.0233 177.1412 59 R 4.2429 7.6188 116.5002 55.7892 30.5165 176.1976 60 F 5.1272 7.1403 118.0685 55.8203 41.5206 177.3260 61 G 4.0702 8.2404 117.8925 46.3570 0.0000 175.6296 62 S 4.6205 8.4451 114.1764 58.7911 62.3339 174.4939 63 V 4.4355 7.3011 107.3804 61.1721 33.1048 177.5921 64 S 4.5140 8.2164 114.8291 59.4094 63.5605 173.4076 65 C 3.9508 8.1092 118.9393 61.6623 27.9559 173.1870 66 L 3.5685 8.4362 122.9508 55.5672 39.0119 173.1493 67 Y 4.3315 7.7333 119.6224 55.9609 39.9266 174.6188 68 Y 4.8972 7.0641 123.3016 56.3565 42.3446 174.7010 69 D 4.4909 8.8985 123.5574 55.4865 41.6505 176.8562 70 N 4.7253 8.9039 116.9270 54.2584 35.9372 176.0723 71 R 3.9496 7.9935 118.6351 59.3409 30.3883 177.1255 72 Y 4.3646 7.6938 114.5481 57.9449 38.3718 175.2998 73 W 5.0695 8.6521 124.3539 55.4517 32.5763 174.5914 74 T 4.2850 8.1559 117.2624 62.6881 69.3964 174.6528 75 M 4.6173 8.5423 126.6582 55.3716 33.1822 175.1296 76 W 4.8537 9.5149 135.0000 56.2089 31.3831 176.7936 77 K 3.3623 8.4892 128.4019 57.6446 30.8173 177.4811 78 L 4.9243 8.2077 125.3012 52.6319 44.9821 174.0149 79 P 4.3241 0.0000 0.0000 63.4965 32.2293 177.5669 80 M 4.2984 8.6528 123.4415 53.6163 30.4848 175.9197 81 F 4.5030 7.2937 118.1355 59.0058 40.0065 176.6833 82 G 4.0009 9.1369 112.7163 45.5129 0.0000 173.1138 83 C 4.2542 7.9765 120.9497 59.7568 31.7390 173.1702 84 R 4.5455 8.6486 124.0343 55.5173 31.2275 174.4848 85 D 4.8044 7.7737 118.2136 51.4074 42.7517 174.4332 86 P 4.3411 0.0000 0.0000 65.9759 31.2324 178.5411 87 M 4.0921 8.2970 117.5726 58.1948 31.7773 178.4975 88 Q 3.9587 7.9603 119.5122 59.1261 29.2619 178.5538 89 V 3.5961 7.7558 118.6549 66.1263 31.6993 177.7565 90 L 4.0289 8.0946 118.7133 57.9754 41.4072 179.8138 91 R 3.9735 8.3237 118.1653 59.2761 29.8821 178.9988 92 E 4.1173 8.3498 118.5384 59.2340 29.4532 179.2882 93 I 3.5037 7.8213 120.0131 64.2759 37.1909 178.4993 94 V 3.4663 7.6666 118.6248 66.0280 31.3895 177.9442 95 A 3.9671 8.0382 120.4840 55.0916 18.1820 179.2370 96 C 2.0000 7.6308 117.6215 62.0750 31.2974 176.0083 97 T 3.6966 7.4492 111.2145 64.3538 67.9305 176.3680 98 K 3.8177 7.6512 121.7688 59.3551 32.3365 178.4662 99 A 3.9731 7.6257 119.8403 53.5401 19.9531 177.6440 100 F 4.7306 7.7827 115.5020 55.1064 39.1117 174.0535 101 P 4.4231 0.0000 0.0000 64.3777 31.8651 177.8850 102 D 4.6200 8.0447 116.3955 53.9102 41.2456 175.6619 103 A 4.6923 7.4071 120.9883 50.6968 20.8983 177.1081 104 Y 4.2037 8.5576 117.7930 57.8617 39.4581 175.2742 105 V 5.2191 8.9714 123.2435 61.1348 35.1955 174.2458 106 R 4.9764 9.5049 124.1149 54.2486 32.8658 174.0129 107 L 4.8126 8.0072 123.6455 54.0799 43.8350 175.7095 108 V 4.8296 8.6202 118.0992 59.5750 36.6047 174.1085 109 A 4.9122 8.1094 121.5145 50.4724 22.8517 175.1923 110 F 5.2152 9.0544 119.6062 55.7429 42.5319 174.1957 111 D 5.4095 8.8577 122.6037 52.6968 42.4152 176.6438 112 N 4.7159 9.1660 123.1316 54.4293 38.3833 176.4542 113 Q 4.1733 8.4110 118.0311 58.9947 29.0756 177.4351 114 K 4.0288 8.5721 115.0989 56.9700 32.8779 176.7402 115 Q 3.4210 8.0607 118.5824 55.9339 27.0366 172.7534 116 V 4.5122 7.7981 117.3010 60.0294 35.0412 174.1995 117 Q 4.3270 8.7676 123.3906 56.5759 29.3045 175.5562 118 I 4.2515 8.0835 124.6103 61.0793 39.9412 174.3198 119 M 4.5786 6.6473 117.3701 54.4277 34.3656 173.6862 120 G 4.9364 8.2511 108.4701 47.3215 0.0000 172.1402 121 F 4.9813 7.0572 115.4181 55.3305 41.0054 172.7900 122 L 4.5280 8.8581 122.8866 55.5914 41.9867 176.7994 123 V 4.4919 8.8962 118.2893 61.4992 34.0452 175.7213 124 Q 4.5816 7.7643 121.3143 54.4458 32.3989 173.2225 125 R 4.3080 8.0838 121.9027 52.8768 32.6190 173.5629 126 P 4.1421 0.0000 0.0000 62.8126 31.5742 177.4133 127 K 4.1864 8.4533 119.9480 58.9841 32.7993 177.8651 128 S 4.3124 7.9287 112.8638 59.2526 63.6281 174.2494 129 A 4.3179 7.7952 126.0583 52.6702 18.3790 177.3243 130 R 4.7073 8.7370 118.3840 55.9680 30.5263 175.0423 131 D 4.9318 8.6238 116.3068 53.2298 39.6959 175.3558 132 W 5.5958 7.7390 114.9360 55.3684 31.3703 173.9204 133 Q 4.3012 8.4169 117.4510 52.8617 31.2987 174.1864 134 P 4.4786 0.0000 0.0000 62.3829 31.8512 176.9671 135 A 3.9803 8.9162 123.0276 55.6486 18.1668 179.1236 136 N 4.7066 8.0650 109.0478 53.5477 37.6899 175.4053 137 K 4.4400 7.7193 117.0795 56.3424 33.1618 177.3583 138 R 3.5635 7.6137 119.8840 57.8336 30.1063 176.6998 139 S 5.0938 7.4543 110.1389 56.3330 66.0345 174.2377 140 V 3.9890 8.5635 114.5591 61.7624 32.2396 175.6011 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 4.48 0.00 2.05 2.11 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 2.52 2.59 0.00 2 M 8.58 4.43 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 3 V 8.31 4.38 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 8.95 4.64 0.00 3.46 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.20 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 1.01 0.00 0.00 6 P 0.00 4.58 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.17 4.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.45 4.65 0.00 2.73 2.83 0.00 0.00 6.65 8.00 0.00 0.00 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 N 8.18 5.06 0.00 2.69 2.68 0.00 0.00 7.26 6.68 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 10 K 8.33 4.05 0.00 2.00 1.55 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.46 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.33 1.46 7.81 11 M 8.30 5.01 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 12 F 8.62 4.57 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.47 3.52 0.00 2.15 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 0.00 2.21 2.14 0.00 14 T 8.38 3.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 15 F 9.08 4.53 0.00 3.29 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 16 S 8.28 4.50 0.00 4.14 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 0.00 17 Y 8.27 4.41 0.00 3.04 3.20 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 18 L 7.62 4.68 0.00 1.84 1.60 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.04 2.02 0.00 3.72 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 2.04 2.15 0.00 20 P 0.00 4.28 0.00 2.07 2.03 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 21 L 8.33 4.02 0.00 1.59 1.49 0.34 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.20 4.19 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 1.19 0.00 0.00 23 D 8.54 4.33 0.00 2.70 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 24 E 8.10 3.93 0.00 2.02 1.92 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 2.35 2.39 0.00 25 Q 8.01 3.93 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.03 3.72 2.07 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 1.69 0.70 1.09 0.00 0.00 27 A 8.38 4.03 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 28 A 8.09 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 29 Q 7.98 4.12 0.00 2.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.91 0.00 30 V 8.24 3.76 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 1.13 0.00 0.00 1.11 0.00 0.00 31 D 8.50 4.42 0.00 2.98 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 32 Y 8.15 4.21 0.00 3.10 3.32 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 33 I 7.92 3.78 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.83 1.04 0.00 0.00 34 V 7.79 3.49 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.11 3.91 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 36 N 7.19 4.10 0.00 1.44 1.42 0.00 0.00 7.05 7.98 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 37 G 7.40 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 38 W 7.48 4.94 0.00 3.30 3.05 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 0.00 0.00 0.00 39 I 8.95 4.34 2.11 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.70 0.00 0.00 40 P 0.00 4.87 0.00 2.08 1.98 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 41 C 8.79 4.97 0.00 3.08 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 5.31 0.00 1.85 1.62 0.84 0.84 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 43 E 9.16 5.64 0.00 2.06 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 0.00 2.37 2.34 0.00 44 F 9.17 5.59 0.00 3.05 3.02 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 0.00 0.00 0.00 45 A 8.26 4.49 -0.14 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 46 E 8.58 4.30 0.00 2.18 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 0.00 2.29 2.28 0.00 47 A 8.82 4.27 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.51 0.00 2.70 2.78 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 49 K 7.94 4.61 0.00 1.51 1.69 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.69 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.47 4.74 0.00 2.92 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 52 V 8.40 3.84 1.91 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 0.56 0.00 0.00 0.77 0.00 0.00 53 S 9.01 4.73 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 5.24 0.00 2.77 2.85 0.00 0.00 6.57 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 55 E 8.34 3.97 0.00 2.15 2.24 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 2.39 2.38 0.00 56 S 8.88 3.97 0.00 3.94 3.68 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 0.00 0.00 0.00 0.00 57 A 7.63 2.58 1.17 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 58 I 6.96 3.58 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.86 0.00 0.00 59 R 7.62 4.24 0.00 1.83 1.99 0.00 3.18 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 60 F 7.14 5.13 0.00 3.03 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 61 G 8.24 4.07 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 0.00 0.00 0.00 62 S 8.45 4.62 0.00 3.86 3.86 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 63 V 7.30 4.44 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.48 0.00 0.00 64 S 8.22 4.51 0.00 4.14 4.31 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 65 C 8.11 3.95 0.00 2.96 2.95 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 0.00 0.00 0.00 0.00 66 L 8.44 3.57 0.00 1.77 1.75 0.94 0.99 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 67 Y 7.73 4.33 0.00 2.95 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 68 Y 7.06 4.90 0.00 2.81 2.81 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 69 D 8.90 4.49 0.00 2.80 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 70 N 8.90 4.73 0.00 3.06 3.24 0.00 0.00 6.99 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 71 R 7.99 3.95 0.00 1.53 1.68 0.00 3.09 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.69 4.36 0.00 3.05 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 73 W 8.65 5.07 0.00 3.10 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 74 T 8.16 4.29 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 0.91 0.00 0.00 75 M 8.54 4.62 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 76 W 9.51 4.85 0.00 3.66 3.28 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 77 K 8.49 3.36 0.00 1.64 0.84 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.86 0.21 7.81 78 L 8.21 4.92 0.00 1.61 1.59 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 0.62 1.83 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 80 M 8.65 4.30 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 81 F 7.29 4.50 0.00 3.10 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 82 G 9.14 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 83 C 7.98 4.25 0.00 3.04 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 84 R 8.65 4.55 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 85 D 7.77 4.80 0.00 2.72 2.53 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 0.00 0.00 0.00 0.00 86 P 0.00 4.34 0.00 2.22 2.12 0.00 3.67 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 2.13 2.20 0.00 87 M 8.30 4.09 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.96 3.96 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.76 3.60 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 1.04 0.00 0.00 1.02 0.00 0.00 90 L 8.09 4.03 0.00 1.88 1.72 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.32 3.97 0.00 2.03 2.01 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 92 E 8.35 4.12 0.00 2.23 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 0.00 2.59 2.66 0.00 93 I 7.82 3.50 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.84 0.00 0.00 94 V 7.67 3.47 2.20 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 0.97 0.00 0.00 0.90 0.00 0.00 95 A 8.04 3.97 1.52 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 96 C 7.63 2.00 0.00 1.23 2.35 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 97 T 7.45 3.70 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 98 K 7.65 3.82 0.00 1.85 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.63 3.97 1.25 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 0.00 100 F 7.78 4.73 0.00 2.90 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 0.00 101 P 0.00 4.42 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.04 4.62 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.41 4.69 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 0.00 104 Y 8.56 4.20 0.00 2.52 2.68 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 0.00 0.00 0.00 0.00 105 V 8.97 5.22 2.04 0.00 0.00 0.00 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 0.86 0.00 0.00 106 R 9.50 4.98 0.00 1.83 1.92 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 107 L 8.01 4.81 0.00 1.52 0.80 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.62 4.83 1.66 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 0.48 0.00 0.00 0.43 0.00 0.00 109 A 8.11 4.91 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 0.00 110 F 9.05 5.22 0.00 2.99 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 0.00 111 D 8.86 5.41 0.00 2.35 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 0.00 112 N 9.17 4.72 0.00 2.94 3.05 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.41 4.17 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.13 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 114 K 8.57 4.03 0.00 1.75 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.41 7.81 115 Q 8.06 3.42 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.80 4.51 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 0.51 0.00 0.00 0.91 0.00 0.00 117 Q 8.77 4.33 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.19 1.95 0.00 118 I 8.08 4.25 1.23 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 -0.57 0.00 0.00 119 M 6.65 4.58 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.78 0.00 120 G 8.25 4.94 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 0.00 121 F 7.06 4.98 0.00 3.22 3.27 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 0.00 122 L 8.86 4.53 0.00 1.58 1.59 0.69 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.90 4.49 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 0.65 0.00 0.00 0.89 0.00 0.00 124 Q 7.76 4.58 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 125 R 8.08 4.31 0.00 1.11 1.45 0.00 2.21 0.00 0.00 2.68 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.20 0.00 126 P 0.00 4.14 0.00 2.10 2.18 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 127 K 8.45 4.19 0.00 1.90 1.99 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 S 7.93 4.31 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.32 1.52 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 0.00 130 R 8.74 4.71 0.00 1.86 1.97 0.00 3.24 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 131 D 8.62 4.93 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.74 5.60 0.00 3.65 3.20 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 0.00 133 Q 8.42 4.30 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 134 P 0.00 4.48 0.00 2.30 2.08 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.92 3.98 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 0.00 136 N 8.07 4.71 0.00 2.83 2.94 0.00 0.00 5.82 7.13 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 0.00 137 K 7.72 4.44 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.61 3.56 0.00 1.56 0.66 0.00 3.10 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.57 0.00 139 S 7.45 5.09 0.00 4.02 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 0.00 140 V 8.56 3.99 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 0.60 0.00 0.00 0.96 0.00 0.00