NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1864 8.1727 122.0544 56.2981 34.1443 174.0782 2 V 4.5836 8.1805 126.8897 60.7140 32.3594 174.4730 3 F 4.3894 9.9671 128.9225 57.5041 40.2473 174.9250 4 E 4.2921 8.9554 121.1180 55.5957 30.9668 176.9662 5 R 3.3793 9.0183 122.0464 60.7228 30.0175 179.5400 6 C 4.3808 8.0466 115.2928 59.4908 37.8513 175.7624 7 E 3.9068 8.0814 120.9344 59.2288 29.2940 178.4304 8 L 3.6974 8.0233 120.1730 57.7933 42.1161 178.6277 9 A 3.9383 7.8699 120.7567 55.4353 18.4681 179.8987 10 R 3.9103 8.0623 116.4260 59.5242 30.0671 179.5496 11 T 3.8566 7.8319 115.5959 66.7198 68.5317 176.7650 12 L 3.8931 8.1260 121.2516 57.5323 41.5471 179.5766 13 K 3.9396 7.9895 119.5428 59.5025 31.9452 178.9320 14 R 3.9606 7.7029 117.7087 59.0343 30.0206 177.5124 15 L 4.3774 7.5633 116.4002 54.1985 41.6514 176.9175 16 G 3.8539 7.7722 106.7846 46.9759 0.0000 175.1459 17 M 3.8766 7.8777 121.0616 56.2344 32.4151 175.7289 18 D 4.3501 7.9880 117.7704 56.3725 41.0354 175.8163 19 G 3.9376 9.4475 116.1055 45.1924 0.0000 171.1770 20 Y 4.1613 8.2178 121.7572 58.6146 38.7518 176.2751 21 R 3.4210 8.9508 127.1968 57.3935 27.6658 177.2986 22 G 3.8100 8.2467 103.1347 45.8455 0.0000 174.0031 23 I 4.1541 7.5003 121.7850 58.8955 38.2855 175.8841 24 S 4.6188 8.3430 120.3630 57.7054 63.9791 174.9149 25 L 4.2651 8.9724 123.5095 58.5693 41.7489 179.2815 26 A 4.1657 8.1818 120.1676 55.4536 18.3283 179.2380 27 N 4.4874 8.2310 114.5455 56.2084 38.5753 177.7533 28 W 4.2565 8.0602 120.0217 59.9360 29.1541 178.3210 29 M 4.1558 8.4211 118.7627 58.5511 31.5238 177.9169 30 C 3.1498 8.0139 118.5558 59.0979 44.4401 175.3484 31 L 3.9536 8.0742 121.6020 58.2731 41.7506 178.7591 32 A 4.2024 8.2199 122.0269 54.3379 18.2428 179.4118 33 K 2.8601 8.0884 118.0643 59.3257 32.0288 179.0023 34 W 4.4109 7.5963 116.6562 58.8717 29.1178 178.1306 35 E 4.3897 8.3228 118.7165 58.3446 29.1620 177.4487 36 S 4.5110 8.0328 109.3916 56.5708 64.9156 174.5607 37 G 3.2335 8.0235 109.0136 46.8893 0.0000 173.3468 38 Y 3.6423 7.6895 113.5010 58.5849 35.2985 168.5977 39 N 5.3236 7.5627 119.1578 51.9430 39.7743 175.7681 40 T 3.9497 9.0756 117.8367 63.9719 69.1372 175.8947 41 R 4.5652 7.8681 116.6080 55.6473 29.9098 176.1316 42 A 4.3934 7.6699 121.9774 52.7049 19.4733 177.2872 43 T 4.9599 8.3040 110.4084 60.0450 72.3155 172.8789 44 N 4.8868 8.8734 122.4477 51.9350 42.1204 172.3663 45 Y 4.5908 8.6691 128.4340 57.4800 40.7553 173.8887 46 N 4.7490 8.5625 125.0089 51.1769 38.6856 175.4055 47 A 3.5281 8.1780 127.6247 54.5814 18.9996 179.1299 48 G 3.8097 8.1252 104.4696 48.3195 0.0000 173.9883 49 D 4.7431 7.4923 115.2315 51.8949 40.0407 175.6142 50 R 3.9649 7.9958 115.3525 56.7746 28.2436 176.0470 51 S 4.9066 7.6923 112.3901 57.4003 66.0824 172.8102 52 T 5.1112 8.8037 115.8920 61.9482 72.7345 172.8902 53 D 5.3724 8.9791 125.6966 53.4633 42.8481 175.0309 54 Y 4.9562 9.3935 121.5898 57.3911 41.3760 177.4765 55 G 4.1483 9.0464 112.1093 45.1794 0.0000 173.4819 56 I 4.0292 8.1444 116.4147 62.8825 37.8734 177.6931 57 F 4.7716 8.1229 115.7581 56.1902 39.6691 175.3538 58 G 4.1837 7.9832 108.8430 46.7160 0.0000 174.6008 59 I 4.3401 8.1363 119.6153 61.0117 38.8734 176.6039 60 N 5.3822 9.2938 126.5599 53.3368 39.6570 175.8513 61 S 4.5465 9.1965 121.1467 61.0608 63.3551 175.5728 62 R 3.7564 8.4764 121.7759 58.6257 30.3244 177.8619 63 Y 4.3473 7.6311 114.0128 57.4705 40.7385 176.7213 64 W 4.9662 8.0558 118.9401 57.6305 31.2187 173.9737 65 C 5.5705 8.1591 111.5807 53.7739 46.2637 172.8321 66 N 5.0863 9.0055 118.8810 51.9502 40.5167 174.6643 67 D 4.8392 8.6522 123.3663 52.1391 40.5027 178.0654 68 G 4.0417 8.5669 107.4984 46.1971 0.0000 174.5942 69 K 4.4226 7.9846 116.3858 56.6647 33.4494 176.0537 70 T 4.3789 7.5223 116.5335 61.6731 69.0376 173.0480 71 P 4.2475 0.0000 0.0000 63.9104 31.9367 176.3435 72 G 3.9141 8.5054 109.7896 46.5053 0.0000 172.6835 73 A 4.6543 7.7296 118.3827 50.3577 21.4519 177.2358 74 V 4.3445 8.2032 112.4762 59.3222 35.5530 176.2286 75 N 5.0051 8.0754 116.9368 52.1939 37.7845 174.6395 76 A 4.0303 9.0354 124.9144 54.6495 19.1292 178.4179 77 C 4.4724 8.2854 111.4586 57.1345 41.1323 173.0308 78 H 4.1236 7.9684 116.1902 56.6165 26.2430 174.1257 79 L 4.8228 8.3449 117.5851 52.9500 46.4436 176.5538 80 S 4.6568 8.3424 115.1048 57.9321 63.3067 176.0405 81 C 4.1256 8.6645 124.0514 59.6680 38.1263 176.3838 82 S 3.8893 7.6756 114.8525 61.2569 61.6516 175.9404 83 A 4.1449 7.8235 122.4400 54.2828 17.8263 178.4749 84 L 4.4903 7.8954 116.5322 54.9270 41.6224 177.5727 85 L 5.2006 7.3959 117.1346 53.7297 42.3536 176.6719 86 Q 4.3914 7.8216 117.8607 55.3150 29.6101 175.9114 87 D 4.4262 8.5288 119.6027 57.1273 41.1286 176.7360 88 N 4.5641 8.0583 118.2058 53.2045 38.9883 174.5478 89 I 4.2343 8.4510 119.1589 61.0703 37.9457 176.9979 90 A 3.9434 8.3805 124.8290 56.0136 18.1946 180.1473 91 D 4.2829 8.0834 116.4822 57.4240 40.8947 178.7146 92 A 4.1030 7.9858 120.9007 55.0773 18.4433 179.7606 93 V 3.3308 8.1984 116.9584 65.9919 31.6392 178.1216 94 A 3.8298 8.0291 120.6213 55.2994 18.1845 178.8406 95 C 4.2313 8.3850 116.8011 59.5825 37.9107 175.6230 96 A 3.8920 8.1168 122.7181 54.9408 17.6090 179.6955 97 K 3.6235 7.4938 116.1605 59.4384 32.3128 179.1846 98 R 4.0401 7.6125 118.4589 59.3499 29.8942 178.5369 99 V 2.1509 7.3559 117.9640 65.6913 31.0535 177.8848 100 V 3.8711 7.6077 109.4322 62.6471 31.3428 177.9583 101 R 4.2439 7.7031 117.6437 57.1250 30.6019 176.4447 102 D 4.7083 7.3026 119.6282 52.6666 41.8436 175.3028 103 P 4.2335 0.0000 0.0000 66.3580 30.9655 177.9421 104 Q 3.9962 8.1502 117.6027 56.3089 29.9304 177.3953 105 G 3.7600 7.8015 106.5859 46.8425 0.0000 176.0778 106 I 3.5666 7.8031 119.9237 63.5497 37.9826 177.9910 107 R 4.1796 7.2212 117.9911 57.8500 29.9514 177.4930 108 A 4.0808 7.6657 120.9842 54.0662 18.7362 177.5611 109 W 4.8006 8.0652 117.0067 55.2996 30.2030 177.6368 110 V 3.7819 8.6889 123.3890 65.8352 30.8949 177.7029 111 A 4.0559 8.2751 120.4234 54.7661 18.1762 179.1971 112 W 3.9743 8.3795 126.6001 60.5263 30.5397 178.5195 113 R 3.7932 8.1662 116.7458 59.3542 29.7222 178.3593 114 N 4.3491 7.9989 114.8665 55.7002 38.6905 176.9007 115 R 4.0434 7.7256 116.3723 56.0678 31.2220 176.2859 116 C 4.5841 7.1495 114.3970 57.5006 42.9716 174.2472 117 Q 3.1191 6.7049 120.2603 57.0895 28.7215 175.4683 118 N 4.2008 8.6899 120.5127 54.2182 36.1202 173.7557 119 R 4.4900 7.2821 116.0779 54.0713 33.0264 175.6245 120 D 4.5643 8.4091 118.8650 54.0725 40.3041 176.5469 121 V 4.4484 8.1872 119.3031 61.4906 32.0836 177.7587 122 R 4.0506 8.0214 120.5885 59.3857 29.6298 178.5232 123 Q 3.9649 8.1269 116.9484 59.7008 28.0538 178.3910 124 Y 4.1803 7.8416 117.1329 59.7549 38.3206 176.8384 125 V 4.4258 7.7799 111.0398 60.5975 33.4624 175.5764 126 Q 4.1698 7.5109 120.0668 57.3284 28.7860 177.0516 127 G 3.9489 8.9121 110.0887 46.0636 0.0000 174.5768 128 C 4.4362 8.0458 115.7820 56.7060 40.6667 173.8486 129 G 3.8172 8.1375 107.1730 46.9644 0.0000 174.1042 130 V 4.0170 7.8621 117.8653 61.1082 32.2035 175.8975 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.19 0.00 1.81 1.75 0.00 1.30 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.10 7.81 2 V 8.18 4.58 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.97 4.39 0.00 2.87 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 0.00 4 E 8.96 4.29 0.00 1.96 1.86 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 2.30 2.25 0.00 5 R 9.02 3.38 0.00 1.96 1.94 0.00 3.44 0.00 0.00 3.48 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 6 C 8.05 4.38 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.08 3.91 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 8 L 8.02 3.70 0.00 1.43 1.40 -0.09 0.53 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 9 A 7.87 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.06 3.91 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.83 3.86 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 1.21 0.00 0.00 12 L 8.13 3.89 0.00 1.60 1.59 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 3.94 0.00 1.86 1.93 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.70 3.96 0.00 2.00 2.07 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.56 4.38 0.00 1.55 1.55 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.88 3.88 0.00 1.21 1.93 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 18 D 7.99 4.35 0.00 2.68 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 19 G 9.45 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 20 Y 8.22 4.16 0.00 3.18 3.17 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 21 R 8.95 3.42 0.00 2.00 1.90 0.00 3.24 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.50 0.00 22 G 8.25 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.50 4.15 1.88 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.75 -0.22 0.00 0.00 24 S 8.34 4.62 0.00 4.07 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 25 L 8.97 4.27 0.00 2.08 1.82 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.17 1.51 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 0.00 0.00 0.00 27 N 8.23 4.49 0.00 2.83 2.82 0.00 0.00 7.01 6.95 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 28 W 8.06 4.26 0.00 3.57 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.42 4.16 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 30 C 8.01 3.15 0.00 2.63 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 31 L 8.07 3.95 0.00 1.86 1.87 0.53 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.22 4.20 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 33 K 8.09 2.86 0.00 1.37 1.63 0.00 0.69 0.00 0.00 1.06 0.00 0.00 2.61 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.81 0.21 7.81 34 W 7.60 4.41 0.00 3.34 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 35 E 8.32 4.39 0.00 1.99 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 2.49 2.50 0.00 36 S 8.03 4.51 0.00 4.08 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 37 G 8.02 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.69 3.64 0.00 3.24 2.96 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 39 N 7.56 5.32 0.00 2.81 2.83 0.00 0.00 7.00 6.88 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 40 T 9.08 3.95 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 1.46 0.00 0.00 41 R 7.87 4.57 0.00 1.95 2.09 0.00 3.14 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 1.58 1.81 0.00 42 A 7.67 4.39 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 43 T 8.30 4.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 44 N 8.87 4.89 0.00 2.86 2.71 0.00 0.00 6.71 6.86 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 45 Y 8.67 4.59 0.00 3.01 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 46 N 8.56 4.75 0.00 2.66 2.60 0.00 0.00 6.52 7.84 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 47 A 8.18 3.53 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 48 G 8.13 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.49 4.74 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.00 3.96 0.00 2.07 2.20 0.00 3.15 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 51 S 7.69 4.91 0.00 3.90 3.95 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 52 T 8.80 5.11 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 53 D 8.98 5.37 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.39 4.96 0.00 2.88 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 55 G 9.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.14 4.03 1.66 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.76 0.08 0.00 0.00 57 F 8.12 4.77 0.00 3.17 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 58 G 7.98 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.14 4.34 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 1.17 0.00 0.00 60 N 9.29 5.38 0.00 3.10 3.04 0.00 0.00 6.96 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 61 S 9.20 4.55 0.00 4.07 4.40 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 62 R 8.48 3.76 0.00 1.64 1.48 0.00 2.69 0.00 0.00 2.88 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 63 Y 7.63 4.35 0.00 1.43 1.68 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 64 W 8.06 4.97 0.00 3.44 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 65 C 8.16 5.57 0.00 3.02 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 66 N 9.01 5.09 0.00 2.84 2.69 0.00 0.00 7.10 9.23 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 67 D 8.65 4.84 0.00 2.97 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 68 G 8.57 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 69 K 7.98 4.42 0.00 1.92 1.92 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.45 7.81 70 T 7.52 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 P 0.00 4.25 0.00 2.02 1.98 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 72 G 8.51 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 73 A 7.73 4.65 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 74 V 8.20 4.34 2.01 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 0.63 0.00 0.00 0.88 0.00 0.00 75 N 8.08 5.01 0.00 2.78 2.64 0.00 0.00 6.78 8.01 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 76 A 9.04 4.03 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 77 C 8.29 4.47 0.00 3.36 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 78 H 7.97 4.12 0.00 3.33 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.34 4.82 0.00 1.67 1.49 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.34 4.66 0.00 3.83 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 81 C 8.66 4.13 0.00 2.24 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 82 S 7.68 3.89 0.00 3.84 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 83 A 7.82 4.14 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 84 L 7.90 4.49 0.00 1.92 1.83 1.05 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.40 5.20 0.00 1.81 1.73 1.12 1.16 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 86 Q 7.82 4.39 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 87 D 8.53 4.43 0.00 2.65 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 88 N 8.06 4.56 0.00 2.70 2.76 0.00 0.00 6.96 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.45 4.23 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.95 0.00 0.00 90 A 8.38 3.94 1.37 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 0.00 0.00 0.00 91 D 8.08 4.28 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 92 A 7.99 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.20 3.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 94 A 8.03 3.83 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 95 C 8.39 4.23 0.00 3.12 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.12 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.49 3.62 0.00 1.62 1.39 0.00 1.29 0.00 0.00 0.94 0.00 0.00 2.24 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.84 7.81 98 R 7.61 4.04 0.00 1.94 2.08 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 99 V 7.36 2.15 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 -0.64 0.00 0.00 100 V 7.61 3.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.45 0.00 0.00 101 R 7.70 4.24 0.00 2.05 2.03 0.00 3.24 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 1.73 2.06 0.00 102 D 7.30 4.71 0.00 2.98 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.23 0.00 2.14 2.19 0.00 3.77 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 1.97 2.00 0.00 104 Q 8.15 4.00 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.80 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 0.00 106 I 7.80 3.57 1.05 0.00 0.00 -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 -0.30 -0.03 -0.48 0.00 0.00 107 R 7.22 4.18 0.00 1.98 2.02 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.48 0.00 108 A 7.67 4.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.07 4.80 0.00 3.48 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 0.00 110 V 8.69 3.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.28 4.06 1.51 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 0.00 0.00 0.00 112 W 8.38 3.97 0.00 3.46 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 0.00 113 R 8.17 3.79 0.00 2.10 2.00 0.00 3.51 0.00 0.00 3.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.10 0.00 114 N 8.00 4.35 0.00 2.53 2.70 0.00 0.00 7.00 6.97 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 0.00 115 R 7.73 4.04 0.00 0.90 0.67 0.00 2.75 0.00 0.00 2.77 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.00 116 C 7.15 4.58 0.00 1.62 2.64 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 0.00 117 Q 6.70 3.12 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 118 N 8.69 4.20 0.00 2.81 2.83 0.00 0.00 6.89 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.28 4.49 0.00 1.79 1.81 0.00 3.18 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 120 D 8.41 4.56 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.19 4.45 2.40 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 0.97 0.00 0.00 1.06 0.00 0.00 122 R 8.02 4.05 0.00 1.93 2.02 0.00 3.27 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.13 3.96 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.09 1.48 0.00 124 Y 7.84 4.18 0.00 3.11 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 0.00 125 V 7.78 4.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.07 0.00 0.00 126 Q 7.51 4.17 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 127 G 8.91 3.95 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 0.00 0.00 0.00 128 C 8.05 4.44 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.14 3.82 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 0.00 0.00 0.00 130 V 7.86 4.02 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 0.75 0.00 0.00 0.96 0.00 0.00