NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5562 8.1849 122.7610 55.1972 43.2672 175.5146 2 Q 4.6862 8.8858 124.5634 53.7191 33.2531 172.8225 3 R 5.2161 8.7143 118.7382 54.9610 33.6214 175.0101 4 T 4.7642 8.8486 116.0682 60.4307 72.0625 171.7464 5 L 5.2578 8.3713 126.8859 53.3650 44.5731 175.1869 6 V 5.0397 8.9768 125.6787 61.1044 34.9986 173.8565 7 L 5.0370 8.7507 127.1090 53.0142 44.5928 175.5190 8 I 4.7040 8.7544 125.2052 59.8151 38.4333 175.8616 9 K 4.4007 9.0604 127.7496 55.3391 33.0827 176.7587 10 P 4.7193 0.0000 0.0000 65.3107 31.1055 178.7102 11 D 4.5331 8.3986 117.1102 56.2158 39.3544 178.3225 12 A 4.0071 8.2924 122.5682 55.1531 18.4630 179.6342 13 F 4.0252 8.1930 115.8764 60.3430 38.8797 177.2332 14 E 4.0537 8.3700 118.2967 59.2445 29.5347 178.3879 15 R 4.3902 7.8765 114.1335 54.7359 31.1226 176.4177 16 S 3.6750 7.6025 113.5285 60.2202 60.9735 172.7450 17 L 4.5827 8.1100 116.5720 54.5663 42.7639 179.2375 18 V 3.3183 7.6698 119.6978 66.2385 31.2307 177.8883 19 A 3.9898 7.8093 119.7936 54.7906 18.1291 178.8190 20 E 3.8686 8.1508 117.4938 59.6084 29.2219 179.0296 21 I 3.6802 7.8884 119.6602 64.8293 37.2500 178.4388 22 M 4.3168 8.1896 119.5887 58.2635 31.7645 178.8961 23 G 3.7772 8.7735 106.5600 48.1347 0.0000 175.9305 24 R 4.1033 7.5989 119.2415 58.8624 30.3695 179.0048 25 I 3.8181 7.4160 118.6077 64.0430 37.1419 177.7300 26 E 3.9454 8.6001 120.5414 59.4937 29.3184 179.0049 27 K 4.2845 8.3767 116.0264 57.9179 32.0860 177.9565 28 K 4.2949 7.4747 118.6906 55.3668 32.3629 175.0148 29 N 4.1425 8.3928 114.6903 55.0866 37.4873 173.6797 30 F 4.7472 8.0318 113.5064 55.3913 41.1926 175.3277 31 K 4.8280 8.6133 123.1512 54.5359 34.7038 175.7983 32 I 3.9424 8.5902 125.4378 61.7479 37.0544 175.6565 33 V 4.2798 8.6990 127.3929 64.3202 33.1871 175.4829 34 S 4.6190 7.2971 112.2196 57.9923 66.1597 173.1980 35 M 5.2431 8.2645 117.3751 54.8686 35.0389 173.7909 36 K 4.5602 9.1813 124.3502 54.5719 36.5897 174.7856 37 F 5.0877 8.5812 126.4219 56.6058 41.0211 174.8467 38 W 4.5267 8.1035 125.5717 54.6311 30.9752 176.4497 39 S 3.5071 8.3102 121.0108 60.3361 62.7916 174.4966 40 K 4.5236 7.5700 121.0932 54.1296 34.3483 175.1870 41 A 3.9121 8.4046 129.8579 51.0161 19.1655 174.9153 42 P 4.1105 0.0000 0.0000 62.9173 31.8800 177.4237 43 R 3.8461 8.6675 123.5945 59.1919 29.7817 177.8685 44 N 4.2010 7.9688 116.5199 56.6683 39.0052 176.4064 45 L 3.4667 7.3085 119.7630 57.7768 41.6481 179.7256 46 I 3.7030 7.3695 118.9356 64.4151 36.9012 178.1903 47 E 4.2222 7.9867 118.1848 59.4642 29.6199 179.1299 48 Q 4.1089 8.1256 118.0752 59.4110 28.6313 178.4169 49 H 4.0458 7.9962 117.5218 58.4665 29.8849 175.2186 50 Y 5.0423 7.5287 115.9565 57.7159 38.9548 177.6729 51 K 4.3273 8.4142 122.0942 60.1613 32.6766 178.1525 52 E 3.9469 8.2635 119.6490 58.5891 29.5750 177.1302 53 H 4.7921 9.2962 114.7443 55.3424 29.4767 176.6367 54 S 2.7900 8.0287 115.3437 60.3659 62.5333 175.4644 55 E 4.1072 7.7173 118.7304 57.6730 30.0271 176.8584 56 Q 3.9648 7.7898 118.7570 55.5259 29.0762 177.4733 57 S 4.1888 8.2160 115.3223 60.7336 63.7656 174.8046 58 Y 4.3712 7.4233 118.1969 57.9095 38.7019 176.8083 59 F 4.1309 7.8943 124.0795 62.0278 39.2095 176.7749 60 N 4.2558 8.2162 115.1659 56.2706 38.4749 176.9346 61 D 4.3831 8.1596 119.8668 57.2109 40.7968 178.6016 62 L 3.9116 7.8638 120.6805 58.4387 41.9368 178.8617 63 C 4.0128 7.4397 115.1230 62.6970 28.3406 175.3657 64 D 4.5133 8.3074 120.8910 57.5350 40.6211 178.8267 65 F 4.2500 8.3792 120.8725 61.5947 39.2778 176.5491 66 M 4.0284 8.0753 115.4993 56.2798 31.7369 177.0181 67 V 4.2771 7.1832 116.8300 61.1616 32.3649 175.9017 68 S 4.4961 7.6220 113.6990 57.5636 62.9065 173.5159 69 G 3.8003 6.9307 108.5759 44.8916 0.0000 171.3313 70 P 4.5670 0.0000 0.0000 61.8348 32.5557 175.9017 71 I 5.3471 8.2975 113.9830 58.8383 41.7110 173.7573 72 I 5.2722 8.6152 123.5851 59.6262 40.4795 174.3472 73 S 5.0713 8.9307 121.5382 56.6381 65.2623 173.1379 74 I 4.8741 9.0576 124.7657 59.2893 41.1643 174.4859 75 V 4.5656 8.2573 126.4015 61.6217 33.1023 173.9977 76 Y 5.3363 8.6424 126.0335 56.4723 40.6865 174.5046 77 E 5.2647 9.8394 123.4054 53.8119 33.3126 175.0246 78 G 4.5430 8.6292 114.6900 46.1746 0.0000 172.1721 79 T 4.1619 8.6192 116.9533 65.5201 69.0320 173.6011 80 D 4.4166 9.0307 123.0574 54.7457 40.3094 175.5433 81 A 4.0254 8.2260 120.3230 54.7787 18.4940 179.7235 82 I 3.5523 8.1053 118.3222 64.5278 37.3471 178.3678 83 S 4.0798 8.0331 113.2596 61.4847 62.2206 176.3174 84 K 3.9738 8.0663 120.8437 59.7096 31.8520 179.5900 85 I 3.5484 7.3529 119.7295 63.9416 36.8323 178.6856 86 R 3.8735 7.7142 118.7248 59.5140 29.7314 179.3329 87 R 3.9414 7.5641 116.0655 58.8364 30.1826 178.7484 88 L 4.0578 7.7739 120.4530 58.0795 42.0658 178.4767 89 Q 3.9143 8.4747 120.1558 59.7721 29.1756 176.6836 90 G 3.8571 8.3885 108.5470 46.0719 0.0000 171.7730 91 N 5.0572 8.1228 117.4291 51.0491 40.5191 175.1075 92 I 4.6295 8.2145 109.4523 61.3425 37.6333 176.3660 93 L 4.3034 8.2749 121.8088 55.7504 42.9106 176.3846 94 T 4.4100 7.6609 115.7584 60.7589 68.8621 172.1053 95 P 4.5035 0.0000 0.0000 64.1680 31.8687 176.4666 96 G 4.0504 9.1059 109.7429 45.6826 0.0000 174.5721 97 T 4.5371 7.5174 109.7954 59.9023 72.2821 175.5995 98 I 3.6612 8.4022 121.9216 64.8892 37.2379 179.2248 99 R 4.0975 8.4023 119.0729 59.0418 29.6150 179.4478 100 G 3.9055 8.3188 106.8034 46.7963 0.0000 174.8748 101 D 4.6687 8.2702 119.8269 55.0767 41.4555 177.3392 102 L 4.5289 7.9126 116.6839 54.3007 44.1272 176.2769 103 A 4.6872 7.5978 119.7589 51.0172 21.0481 175.8003 104 N 4.7753 8.1330 113.2018 54.0845 43.1217 173.5525 105 D 4.8897 7.6425 117.0072 52.6119 44.0800 176.1375 106 I 3.3670 8.4245 125.2565 63.2365 38.4860 176.9597 107 G 3.5241 7.5802 108.0232 47.1636 0.0000 174.4834 108 E 3.9417 7.7241 123.6630 54.3328 27.9965 175.3903 109 N 4.9655 7.9718 121.7404 52.2237 38.5376 176.0630 110 L 4.3717 9.1226 125.4865 55.8418 41.0374 174.3809 111 I 5.2158 7.3575 114.8098 59.4761 41.4797 173.4003 112 H 5.1593 9.5593 126.9235 54.3320 32.7688 172.3937 113 A 5.0963 8.0692 125.4164 49.8630 21.7769 175.9349 114 S 4.3685 8.5249 118.4522 59.0994 63.6215 174.4586 115 D 4.8770 8.5084 120.2754 52.9149 40.1008 176.0678 116 S 4.5980 7.5141 112.7125 56.7866 67.2484 175.6193 117 E 4.0252 8.6052 121.9900 59.5309 29.1136 179.5091 118 D 4.3450 8.0022 118.8156 57.4179 41.1766 178.8219 119 S 4.1673 8.3196 114.3681 60.9262 62.9765 176.5050 120 A 3.9514 8.0437 124.8194 55.1431 18.1331 179.4823 121 V 3.5740 7.6920 116.7770 66.2641 31.6498 177.6875 122 D 4.3037 8.2903 117.5176 57.6526 41.0536 178.2026 123 E 4.1595 8.7258 119.2649 59.3605 29.3824 179.4821 124 I 4.1321 8.1317 120.5055 64.3318 36.7242 178.5418 125 S 4.2525 8.1186 115.0942 61.3123 62.5639 176.6432 126 I 3.5425 7.4749 122.3076 64.0933 37.0167 178.1038 127 W 4.4556 7.8641 117.1664 57.6890 29.7423 177.0381 128 F 5.0079 8.4356 117.4372 55.3518 39.2025 173.5009 129 P 4.6835 0.0000 0.0000 64.4164 32.1097 176.6355 130 E 4.1339 7.5878 123.5402 56.6614 29.4335 176.2938 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 L 8.18 4.56 0.00 1.70 1.69 0.94 0.39 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 2 Q 8.89 4.69 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 3 R 8.71 5.22 0.00 1.66 1.80 0.00 3.30 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 4 T 8.85 4.76 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 1.23 0.00 0.00 5 L 8.37 5.26 0.00 1.90 1.64 1.22 1.44 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 6 V 8.98 5.04 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 0.84 0.00 0.00 1.11 0.00 0.00 7 L 8.75 5.04 0.00 1.53 1.31 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.75 4.70 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.51 0.82 0.00 0.00 9 K 9.06 4.40 0.00 2.05 1.81 0.00 1.98 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.65 7.81 10 P 0.00 4.72 0.00 1.79 1.94 0.00 3.29 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 11 D 8.40 4.53 0.00 3.01 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 12 A 8.29 4.01 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 13 F 8.19 4.03 0.00 3.38 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 14 E 8.37 4.05 0.00 2.05 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 2.40 2.47 0.00 15 R 7.88 4.39 0.00 1.91 1.95 0.00 3.40 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 16 S 7.60 3.68 0.00 4.01 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 17 L 8.11 4.58 0.00 1.60 1.60 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.67 3.32 1.80 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 0.84 0.00 0.00 -0.21 0.00 0.00 19 A 7.81 3.99 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 20 E 8.15 3.87 0.00 2.07 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 0.00 2.37 2.46 0.00 21 I 7.89 3.68 1.98 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 1.51 1.04 0.92 0.00 0.00 22 M 8.19 4.32 0.00 2.16 2.14 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 2.67 2.69 0.00 23 G 8.77 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 0.00 0.00 0.00 24 R 7.60 4.10 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 25 I 7.42 3.82 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 -0.14 0.00 0.00 26 E 8.60 3.95 0.00 2.10 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 0.00 2.33 2.40 0.00 27 K 8.38 4.28 0.00 1.88 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 28 K 7.47 4.29 0.00 1.80 2.12 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.54 7.81 29 N 8.39 4.14 0.00 2.68 2.59 0.00 0.00 7.01 7.03 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 30 F 8.03 4.75 0.00 2.80 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 31 K 8.61 4.83 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.55 7.81 32 I 8.59 3.94 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.83 0.00 0.00 33 V 8.70 4.28 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 0.68 0.00 0.00 0.94 0.00 0.00 34 S 7.30 4.62 0.00 3.83 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 35 M 8.26 5.24 0.00 2.02 1.88 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 2.44 2.58 0.00 36 K 9.18 4.56 0.00 1.51 0.83 0.00 1.35 0.00 0.00 1.05 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.03 1.30 7.81 37 F 8.58 5.09 0.00 2.91 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 38 W 8.10 4.53 0.00 3.08 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 39 S 8.31 3.51 0.00 3.91 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 40 K 7.57 4.52 0.00 1.61 1.64 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.47 7.81 41 A 8.40 3.91 1.03 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 0.00 0.00 42 P 0.00 4.11 0.00 1.89 1.91 0.00 2.92 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 1.94 2.10 0.00 43 R 8.67 3.85 0.00 1.82 1.89 0.00 3.16 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 N 7.97 4.20 0.00 2.75 2.67 0.00 0.00 7.23 6.66 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 45 L 7.31 3.47 0.00 1.39 0.52 0.59 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.37 3.70 1.97 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 1.56 1.15 0.99 0.00 0.00 47 E 7.99 4.22 0.00 2.16 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 0.00 2.62 2.52 0.00 48 Q 8.13 4.11 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 49 H 8.00 4.05 0.00 3.06 3.38 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.53 5.04 0.00 3.38 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 51 K 8.41 4.33 0.00 1.96 2.14 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.70 1.48 7.81 52 E 8.26 3.95 0.00 2.04 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 0.00 2.32 2.45 0.00 53 H 9.30 4.79 0.00 3.64 3.55 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.03 2.79 0.00 3.28 3.33 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 55 E 7.72 4.11 0.00 1.85 1.94 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 2.19 2.29 0.00 56 Q 7.79 3.96 0.00 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 57 S 8.22 4.19 0.00 3.98 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 58 Y 7.42 4.37 0.00 3.12 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 59 F 7.89 4.13 0.00 3.15 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 60 N 8.22 4.26 0.00 2.84 2.87 0.00 0.00 7.09 8.08 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 61 D 8.16 4.38 0.00 2.87 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 62 L 7.86 3.91 0.00 1.72 1.65 0.65 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 C 7.44 4.01 0.00 2.75 2.82 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 0.00 0.00 0.00 0.00 64 D 8.31 4.51 0.00 2.86 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 65 F 8.38 4.25 0.00 3.02 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 66 M 8.08 4.03 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.94 0.00 67 V 7.18 4.28 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 0.79 0.00 0.00 0.88 0.00 0.00 68 S 7.62 4.50 0.00 4.02 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 69 G 6.93 3.80 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 0.00 0.00 0.00 70 P 0.00 4.57 0.00 0.49 1.18 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 71 I 8.30 5.35 1.90 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 1.10 1.73 0.77 0.00 0.00 72 I 8.62 5.27 2.04 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.31 1.08 0.00 0.00 73 S 8.93 5.07 0.00 3.68 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 74 I 9.06 4.87 1.53 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 1.00 0.67 -0.06 0.00 0.00 75 V 8.26 4.57 1.67 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 0.74 0.00 0.00 0.19 0.00 0.00 76 Y 8.64 5.34 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.84 5.26 0.00 2.04 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 0.00 2.25 2.29 0.00 78 G 8.63 4.54 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 0.00 0.00 0.00 79 T 8.62 4.16 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 1.23 0.00 0.00 80 D 9.03 4.42 0.00 2.86 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 81 A 8.23 4.03 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 82 I 8.11 3.55 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.91 0.00 0.00 83 S 8.03 4.08 0.00 3.89 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 84 K 8.07 3.97 0.00 1.82 1.96 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.88 1.89 7.81 85 I 7.35 3.55 1.70 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.74 0.00 0.00 86 R 7.71 3.87 0.00 2.13 1.96 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 87 R 7.56 3.94 0.00 2.00 1.99 0.00 3.17 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 88 L 7.77 4.06 0.00 1.95 1.69 0.93 0.64 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 Q 8.47 3.91 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.61 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 90 G 8.39 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 0.00 0.00 0.00 91 N 8.12 5.06 0.00 2.89 2.87 0.00 0.00 5.75 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 92 I 8.21 4.63 1.85 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 1.41 1.70 0.89 0.00 0.00 93 L 8.27 4.30 0.00 1.90 1.74 0.92 0.75 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 94 T 7.66 4.41 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 1.21 0.00 0.00 95 P 0.00 4.50 0.00 2.03 2.00 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 96 G 9.11 4.05 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 0.00 0.00 0.00 97 T 7.52 4.54 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 98 I 8.40 3.66 1.86 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 1.51 0.94 0.91 0.00 0.00 99 R 8.40 4.10 0.00 1.96 2.04 0.00 3.34 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 100 G 8.32 3.91 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 0.00 0.00 0.00 101 D 8.27 4.67 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.53 0.00 1.70 1.66 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.60 4.69 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 0.00 104 N 8.13 4.78 0.00 2.62 2.74 0.00 0.00 6.66 8.47 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 0.00 105 D 7.64 4.89 0.00 2.59 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 0.00 106 I 8.42 3.37 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.80 0.00 0.00 107 G 7.58 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.72 3.94 0.00 1.83 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 1.47 2.04 0.00 109 N 7.97 4.97 0.00 2.75 2.97 0.00 0.00 6.39 7.79 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 0.00 110 L 9.12 4.37 0.00 1.96 1.91 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.36 5.22 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 0.93 0.00 0.00 112 H 9.56 5.16 0.00 3.35 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.07 5.10 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.52 4.37 0.00 3.84 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 0.00 115 D 8.51 4.88 0.00 2.75 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 0.00 116 S 7.51 4.60 0.00 4.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.61 4.03 0.00 2.05 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 2.42 2.42 0.00 118 D 8.00 4.34 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.17 0.00 4.24 4.16 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 0.00 120 A 8.04 3.95 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 0.00 121 V 7.69 3.57 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 1.01 0.00 0.00 0.98 0.00 0.00 122 D 8.29 4.30 0.00 2.95 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 0.00 123 E 8.73 4.16 0.00 2.19 2.25 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 2.28 2.49 0.00 124 I 8.13 4.13 2.10 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 1.67 0.93 0.99 0.00 0.00 125 S 8.12 4.25 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.47 3.54 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.18 0.00 0.00 127 W 7.86 4.46 0.00 3.36 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 0.00 128 F 8.44 5.01 0.00 3.24 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 0.00 129 P 0.00 4.68 0.00 2.07 2.13 0.00 3.83 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 130 E 7.59 4.13 0.00 2.18 1.94 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 2.38 2.37 0.00