NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1513 8.0549 114.0825 60.8468 33.8368 175.6822 2 L 4.1031 7.7252 119.4915 52.3647 42.3711 175.1321 3 S 4.5435 10.7700 116.1500 57.4543 65.3937 174.5519 4 E 4.2403 9.1764 121.8539 59.9190 29.1871 179.4428 5 G 3.6933 8.1477 104.8796 47.8815 0.0000 175.3490 6 E 4.0040 8.1403 120.7982 58.6878 29.3396 179.4190 7 W 4.3535 7.9941 118.7402 59.9799 29.1992 178.2103 8 Q 4.1346 8.2887 117.9276 59.2058 28.2604 179.0867 9 L 4.1606 8.1002 119.8737 57.7163 41.5951 179.8660 10 V 3.7753 7.9200 118.3774 66.0534 31.4441 178.0050 11 L 4.3538 8.8526 118.5638 57.3846 41.3355 178.7577 12 H 4.2448 8.5222 118.5166 58.9284 30.0665 177.0903 13 V 3.6661 7.8045 119.8414 65.3291 31.4065 177.4588 14 W 3.8563 8.3528 128.0529 60.7181 30.1944 177.4233 15 A 3.9617 7.6107 118.9914 55.4328 18.0219 179.6009 16 K 3.8691 8.1644 116.9893 59.3727 32.0664 179.4581 17 V 2.6766 7.1291 117.9800 66.0201 30.9143 177.7895 18 E 3.9472 7.5363 115.7832 58.6604 29.2929 178.6125 19 A 4.1933 7.4047 119.5450 53.5082 20.0924 177.5623 20 D 4.6429 7.9832 115.8451 52.1465 43.3190 175.5690 21 V 3.4527 7.8505 123.5430 65.8709 32.0435 176.8177 22 A 4.0646 7.9676 120.0143 55.0730 18.3024 179.7339 23 G 4.0373 8.1473 105.1123 47.7919 0.0000 175.5540 24 H 4.1223 8.5436 119.1191 58.2785 28.6765 177.8349 25 G 3.7331 8.3625 108.0138 48.1995 0.0000 175.6310 26 Q 3.9137 8.0055 120.8024 58.6071 28.7078 178.6452 27 D 4.3057 7.8417 119.4494 57.2703 40.6560 178.9600 28 I 3.6459 8.1392 120.6315 64.4887 37.1693 178.5752 29 L 3.6037 7.8703 119.7523 57.6512 41.2573 179.6686 30 I 3.7912 7.9850 120.1758 64.0264 36.8558 178.5601 31 R 3.8306 8.0529 119.9493 59.1300 29.9784 177.9245 32 L 3.9774 7.4304 120.2111 58.5910 42.1866 179.1137 33 F 4.7149 7.8573 117.2378 60.3819 38.5273 177.8395 34 K 4.0936 7.5984 117.8712 58.8875 32.2919 178.8304 35 S 4.3155 8.5078 112.7556 59.6559 64.9313 174.7537 36 H 4.8500 8.0806 119.0353 52.6305 31.2020 171.9807 37 P 4.8233 0.0000 0.0000 65.5005 30.6857 178.1469 38 E 4.0490 8.3498 116.8905 59.6524 29.4770 179.1339 39 T 3.8395 8.1921 110.4324 64.2249 68.6251 176.1592 40 L 3.7451 8.3187 124.0249 58.1294 41.7971 178.5995 41 E 4.0342 7.8388 116.9620 59.2032 29.4682 178.8611 42 K 4.3686 7.9829 116.0304 56.7510 33.1486 177.3224 43 F 4.6359 8.2015 119.6460 54.8420 38.8133 175.2220 44 D 4.4883 8.5315 125.4131 57.0869 40.9461 178.6721 45 R 4.0329 7.6779 113.6674 57.4818 30.1692 176.9348 46 F 5.0159 7.5468 115.8613 57.3386 40.7098 177.3233 47 K 3.7662 8.4005 120.4117 60.0819 32.0233 177.3311 48 H 4.4205 8.1994 111.9551 56.0069 28.6718 175.4068 49 L 4.2646 8.0043 121.8688 53.9832 40.2716 176.7438 50 K 4.1792 8.8537 124.4025 58.1292 32.6671 177.8747 51 T 4.7197 7.5170 108.3151 58.6592 73.1342 174.1577 52 E 3.8376 8.6911 120.9044 59.4527 29.6003 178.5640 53 A 3.9626 7.9139 120.0519 55.3860 18.3252 179.2324 54 E 3.9522 8.0529 115.6591 59.8485 29.7660 179.3205 55 M 4.1819 8.4746 119.0695 58.2800 31.7990 178.8122 56 K 3.9007 8.4286 118.0563 59.4895 32.2815 178.8806 57 A 4.1982 8.2480 120.3161 53.2774 18.4448 177.9155 58 S 4.1200 7.4026 113.2937 58.3085 63.1220 174.5714 59 E 3.9597 8.9783 128.4903 59.3395 29.5044 178.1795 60 D 4.4727 8.1611 118.5052 57.5374 40.9951 178.4044 61 L 3.1399 7.8346 120.4756 57.8967 42.0599 178.9613 62 K 3.9327 7.6681 119.1476 59.3003 32.1954 178.9991 63 K 3.9934 8.2612 118.9761 59.6169 32.0724 178.7784 64 H 4.3789 8.7405 119.0899 59.3832 29.9791 177.4514 65 G 3.6066 8.4378 107.9106 47.9028 0.0000 175.7633 66 V 3.6860 7.8143 120.1798 65.9361 30.9744 178.3948 67 T 3.9060 7.7275 115.3050 66.4389 68.2741 176.7935 68 V 3.6541 7.6337 119.9480 66.2113 31.5702 178.1450 69 L 4.2742 7.8913 117.6552 57.4948 41.4030 179.7334 70 T 3.9403 7.9442 116.0325 66.4616 68.5610 176.5638 71 A 3.9309 7.6865 121.8648 55.0389 18.5034 179.0159 72 L 3.6664 8.0075 118.9952 58.5212 42.0896 179.5314 73 G 3.0182 8.0443 105.1245 47.5309 0.0000 175.3872 74 A 3.9544 7.6948 122.1677 54.9599 18.6439 179.5445 75 I 3.7835 7.4994 117.9279 64.5407 37.2190 178.7043 76 L 4.0303 7.5955 119.8115 57.4804 41.1890 178.9370 77 K 4.1739 7.5116 115.4015 57.1427 32.3780 178.2793 78 K 4.0000 7.9863 119.2343 55.7306 32.9458 176.4162 79 K 2.0000 8.1106 118.8056 56.3785 29.7946 175.2607 80 G 3.9393 7.7699 106.3284 45.6407 0.0000 173.5067 81 H 4.9029 8.1791 118.8186 54.6310 27.5630 174.8213 82 H 5.6615 7.0328 109.6432 54.3518 29.7859 177.1406 83 E 3.9476 8.6916 120.4534 60.7472 29.1125 178.0636 84 A 3.9604 8.0501 118.5071 55.9128 18.5336 179.1384 85 E 4.0860 8.0988 115.7782 59.3163 29.7240 179.2921 86 L 4.0018 8.2754 120.7445 57.6914 42.1492 178.7316 87 K 3.9093 8.4446 120.4002 59.1549 31.9045 176.9950 88 P 4.3066 0.0000 0.0000 65.7228 31.1135 178.1024 89 L 4.0738 7.5325 117.2584 57.9946 42.0440 178.7971 90 A 4.2517 8.2280 120.8067 55.0882 18.1976 179.5523 91 Q 3.9237 8.2400 116.9186 59.2917 28.8548 179.4102 92 S 3.8481 7.7808 114.9149 61.7328 63.0926 176.1846 93 H 4.2336 8.4008 119.5830 58.0641 28.1537 177.7531 94 A 2.5800 7.6352 122.3689 55.1860 18.3629 179.3527 95 T 3.7679 8.0091 108.0674 64.8146 69.0819 175.9264 96 K 3.8545 7.5132 124.3671 58.6100 32.9643 177.9566 97 H 4.2494 8.4469 117.4895 56.5198 29.5428 175.6031 98 K 3.1289 7.5566 117.8108 56.7313 28.8832 174.6562 99 I 4.4310 7.0919 118.2590 58.7235 39.1483 174.7818 100 P 4.6746 0.0000 0.0000 62.0886 32.1449 177.5356 101 I 3.6752 8.0985 121.4282 64.3186 36.8001 178.8042 102 K 3.6787 7.8623 120.0366 59.8103 32.0273 177.9973 103 Y 4.1678 7.5792 116.7275 61.4715 37.7839 178.9868 104 L 4.2489 7.8492 119.1305 57.5170 41.8159 179.1694 105 E 4.0444 8.0321 118.8835 59.2840 29.3916 179.0404 106 F 4.4601 8.1522 117.9639 61.0158 39.0144 177.5960 107 I 3.7933 8.0365 117.9207 64.2168 37.7835 178.0007 108 S 4.2086 8.3791 116.1336 61.6411 62.5974 176.4893 109 E 4.0381 8.3128 120.9736 59.5073 29.2547 179.2935 110 A 4.0326 8.1604 120.7470 55.0866 18.3569 179.6913 111 I 3.6347 7.9842 118.4609 64.7323 37.2635 178.6068 112 I 3.9069 7.8017 120.2928 64.7502 36.9176 177.9214 113 H 4.1535 8.5779 119.1990 59.4088 29.7132 177.4652 114 V 3.5056 7.8320 119.9298 66.0288 31.3137 178.0541 115 L 4.0622 8.0067 118.7007 57.6612 41.0269 178.9891 116 H 4.5231 8.0963 117.8517 59.1504 29.9584 177.1090 117 S 4.1351 8.0393 116.3769 61.8366 62.7881 176.6973 118 R 3.9692 8.1307 119.4390 58.0073 30.4564 177.0510 119 H 4.9525 8.1035 116.1093 54.2812 28.8290 173.9760 120 P 4.1249 0.0000 0.0000 66.3109 31.8012 178.8382 121 G 3.9367 8.0289 109.2364 48.1174 0.0000 173.1989 122 D 4.9029 8.5994 117.5136 54.1088 42.5429 175.9435 123 F 5.2181 9.3067 121.4495 56.9176 39.1322 174.3079 124 G 3.8937 7.5961 109.4355 43.6385 0.0000 171.6221 125 A 4.3228 8.5113 121.0545 55.5352 18.1305 179.5544 126 D 4.1710 7.9503 116.1195 56.6667 39.5596 178.4856 127 A 4.0806 7.8061 121.9551 54.6821 18.5874 179.2261 128 Q 3.1414 8.8419 119.2372 58.5545 29.0433 178.6417 129 G 3.4748 8.4842 107.4547 47.5685 0.0000 175.5847 130 A 3.8892 8.3475 123.8373 55.1124 18.3854 179.4630 131 M 4.0860 8.1312 116.7029 58.4758 32.3636 177.9807 132 N 4.3143 8.0547 116.9042 56.6775 39.1329 176.8372 133 K 3.8477 7.8861 119.3993 59.6120 32.1301 179.1430 134 A 3.8958 7.7285 120.5782 55.0827 18.2720 179.5756 135 L 4.1758 8.0261 117.2200 57.2452 41.6731 179.2111 136 E 3.9983 8.0576 119.7937 58.8088 29.5593 178.1743 137 L 3.9694 8.1228 120.5446 58.1802 42.1852 178.5061 138 F 4.1518 8.2619 120.4027 61.7506 39.3454 177.4034 139 R 3.7022 8.1285 117.2566 58.6622 29.8074 179.1873 140 K 3.8123 8.0454 119.6626 59.5428 32.4493 178.3424 141 D 4.3534 8.1947 119.4285 57.6382 40.7795 179.1129 142 I 3.4007 7.9365 119.9048 64.2944 36.8943 178.2716 143 A 3.6269 7.6616 121.1788 55.0606 18.1357 179.5791 144 A 3.9520 7.8767 119.0477 55.2471 18.5709 180.0742 145 K 4.0425 7.9833 116.7232 59.6476 32.0149 179.2746 146 Y 4.4740 8.1518 117.3777 61.0795 37.8143 178.6106 147 K 4.0258 8.0298 119.6038 59.4649 31.9910 179.0508 148 E 4.2783 8.1141 118.1542 58.4711 29.6036 177.8156 149 L 4.4633 7.3947 116.0434 54.1184 42.2407 176.5790 150 G 3.7738 8.4923 107.3820 46.9319 0.0000 173.7777 151 Y 4.5286 7.8454 118.7302 55.8610 40.8472 175.3345 152 Q 4.2850 7.7465 122.3225 57.0451 27.9867 173.3255 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 V 8.05 4.15 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 0.93 0.00 0.00 0.93 0.00 0.00 2 L 7.73 4.10 0.00 1.10 0.64 0.56 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.77 4.54 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.24 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 5 G 8.15 3.69 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 0.00 0.00 0.00 6 E 8.14 4.00 0.00 1.77 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 2.24 2.25 0.00 7 W 7.99 4.35 0.00 3.59 3.21 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 8 Q 8.29 4.13 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 9 L 8.10 4.16 0.00 1.88 1.79 0.91 0.78 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 10 V 7.92 3.78 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 1.24 0.00 0.00 0.91 0.00 0.00 11 L 8.85 4.35 0.00 1.93 1.81 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.24 0.00 3.20 3.65 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.67 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 0.74 0.00 0.00 1.15 0.00 0.00 14 W 8.35 3.86 0.00 3.75 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 15 A 7.61 3.96 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 16 K 8.16 3.87 0.00 1.24 1.47 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.32 7.81 17 V 7.13 2.68 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 0.00 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 18 E 7.54 3.95 0.00 2.09 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 2.36 0.00 19 A 7.40 4.19 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 20 D 7.98 4.64 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.85 3.45 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 1.07 0.00 0.00 0.93 0.00 0.00 22 A 7.97 4.06 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 23 G 8.15 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 0.00 0.00 0.00 24 H 8.54 4.12 0.00 3.30 3.24 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 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 26 Q 8.01 3.91 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 27 D 7.84 4.31 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.65 1.95 0.00 0.00 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 1.51 1.08 0.88 0.00 0.00 29 L 7.87 3.60 0.00 1.46 1.20 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.99 3.79 1.88 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 1.40 1.11 0.90 0.00 0.00 31 R 8.05 3.83 0.00 1.90 2.11 0.00 3.05 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 32 L 7.43 3.98 0.00 1.61 1.45 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.86 4.71 0.00 3.11 2.93 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 34 K 7.60 4.09 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.54 7.81 35 S 8.51 4.32 0.00 3.64 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 36 H 8.08 4.85 0.00 3.08 3.04 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.82 0.00 2.28 2.37 0.00 3.83 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 2.09 1.92 0.00 38 E 8.35 4.05 0.00 2.37 2.38 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 2.43 2.61 0.00 39 T 8.19 3.84 4.30 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 0.60 0.00 0.00 40 L 8.32 3.75 0.00 1.46 1.81 -0.51 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.84 4.03 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 42 K 7.98 4.37 0.00 1.67 1.61 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.91 7.81 43 F 8.20 4.64 0.00 3.17 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 44 D 8.53 4.49 0.00 2.56 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 45 R 7.68 4.03 0.00 1.74 1.89 0.00 2.78 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.00 46 F 7.55 5.02 0.00 2.82 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 47 K 8.40 3.77 0.00 1.81 2.09 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.42 7.81 48 H 8.20 4.42 0.00 3.29 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.00 4.26 0.00 1.73 1.68 0.97 0.97 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 50 K 8.85 4.18 0.00 1.72 1.85 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.35 7.81 51 T 7.52 4.72 4.23 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 1.20 0.00 0.00 52 E 8.69 3.84 0.00 2.04 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 2.36 2.37 0.00 53 A 7.91 3.96 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 54 E 8.05 3.95 0.00 2.10 2.00 0.00 0.00 0.00 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 2.33 0.00 55 M 8.47 4.18 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 56 K 8.43 3.90 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 57 A 8.25 4.20 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 58 S 7.40 4.12 0.00 3.89 3.87 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 59 E 8.98 3.96 0.00 2.10 1.95 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 2.38 2.41 0.00 60 D 8.16 4.47 0.00 2.91 3.09 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 61 L 7.83 3.14 0.00 1.30 1.63 0.49 -0.02 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 62 K 7.67 3.93 0.00 1.81 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.26 3.99 0.00 2.23 1.92 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 64 H 8.74 4.38 0.00 3.64 3.61 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.44 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.69 2.21 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 1.04 0.00 0.00 1.00 0.00 0.00 67 T 7.73 3.91 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 V 7.63 3.65 2.21 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 1.09 0.00 0.00 0.95 0.00 0.00 69 L 7.89 4.27 0.00 1.85 1.99 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.94 3.94 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 1.25 0.00 0.00 71 A 7.69 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.01 3.67 0.00 1.66 1.58 0.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.04 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 0.00 0.00 0.00 74 A 7.69 3.95 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 75 I 7.50 3.78 1.95 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 1.52 0.75 0.90 0.00 0.00 76 L 7.60 4.03 0.00 1.30 1.67 0.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.51 4.17 0.00 1.66 1.77 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 78 K 7.99 4.00 0.00 1.93 1.83 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.73 7.81 79 K 8.11 2.00 0.00 1.20 0.74 0.00 1.47 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.60 0.73 7.81 80 G 7.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.18 4.90 0.00 3.11 3.25 0.00 5.57 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 82 H 7.03 5.66 0.00 3.26 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.69 3.95 0.00 2.09 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 2.40 2.46 0.00 84 A 8.05 3.96 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 85 E 8.10 4.09 0.00 2.27 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 2.39 2.43 0.00 86 L 8.28 4.00 0.00 1.84 1.86 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.44 3.91 0.00 2.02 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 88 P 0.00 4.31 0.00 2.34 2.32 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 89 L 7.53 4.07 0.00 1.96 1.84 1.08 1.24 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 90 A 8.23 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.24 3.92 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 92 S 7.78 3.85 0.00 3.86 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 93 H 8.40 4.23 0.00 3.58 3.59 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.64 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.01 3.77 4.11 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 1.16 0.00 0.00 96 K 7.51 3.85 0.00 1.55 1.37 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.26 7.81 97 H 8.45 4.25 0.00 3.03 3.17 0.00 5.85 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 98 K 7.56 3.13 0.00 1.81 1.78 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.22 7.81 99 I 7.09 4.43 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 1.20 0.00 0.00 100 P 0.00 4.67 0.00 1.82 1.80 0.00 3.02 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 0.85 1.77 0.00 101 I 8.10 3.68 1.81 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.71 0.86 0.00 0.00 102 K 7.86 3.68 0.00 1.71 1.58 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.70 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.03 7.81 103 Y 7.58 4.17 0.00 3.18 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 0.00 104 L 7.85 4.25 0.00 1.85 1.83 0.79 1.15 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 0.00 105 E 8.03 4.04 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 106 F 8.15 4.46 0.00 3.25 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 0.00 107 I 8.04 3.79 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 1.08 0.00 0.00 108 S 8.38 4.21 0.00 4.24 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 0.00 109 E 8.31 4.04 0.00 2.28 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 0.00 2.43 2.63 0.00 110 A 8.16 4.03 1.46 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 0.00 0.00 0.00 111 I 7.98 3.63 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 1.02 0.00 0.00 112 I 7.80 3.91 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 1.17 0.00 0.00 113 H 8.58 4.15 0.00 3.31 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.83 3.51 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 0.78 0.00 0.00 0.95 0.00 0.00 115 L 8.01 4.06 0.00 1.18 0.72 0.55 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.10 4.52 0.00 3.67 3.66 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.04 4.14 0.00 3.83 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 0.00 118 R 8.13 3.97 0.00 1.41 1.59 0.00 3.07 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 119 H 8.10 4.95 0.00 3.15 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.12 0.00 2.17 2.03 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 121 G 8.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.60 4.90 0.00 2.66 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 0.00 123 F 9.31 5.22 0.00 3.03 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 0.00 124 G 7.60 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 0.00 125 A 8.51 4.32 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 0.00 126 D 7.95 4.17 0.00 2.85 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 0.00 127 A 7.81 4.08 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 0.00 128 Q 8.84 3.14 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.03 1.40 0.00 129 G 8.48 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.35 3.89 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 0.00 131 M 8.13 4.09 0.00 2.53 2.39 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.90 0.00 132 N 8.05 4.31 0.00 3.07 2.78 0.00 0.00 7.15 5.79 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 0.00 133 K 7.89 3.85 0.00 1.89 1.68 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.58 7.81 134 A 7.73 3.90 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 0.00 135 L 8.03 4.18 0.00 1.79 1.83 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.06 4.00 0.00 2.37 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 2.31 2.32 0.00 137 L 8.12 3.97 0.00 1.85 1.92 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.26 4.15 0.00 3.06 3.13 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 0.00 139 R 8.13 3.70 0.00 2.13 1.91 0.00 3.17 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 140 K 8.05 3.81 0.00 2.01 1.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.61 7.81 141 D 8.19 4.35 0.00 2.98 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 0.00 142 I 7.94 3.40 1.34 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.28 0.14 0.00 0.00 143 A 7.66 3.63 1.24 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 0.00 0.00 0.00 144 A 7.88 3.95 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 0.00 145 K 7.98 4.04 0.00 2.08 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.15 4.47 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.03 4.03 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.37 7.81 148 E 8.11 4.28 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 149 L 7.39 4.46 0.00 2.01 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.49 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.85 4.53 0.00 2.68 2.89 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 0.00 152 Q 7.75 4.28 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.42 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00