NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2301 8.3144 121.7893 55.7429 33.2707 175.2135 2 E 3.8697 8.7044 127.7041 54.4156 30.3912 175.5680 3 T 4.1738 8.7095 118.1164 61.3019 72.0125 174.9965 4 A 4.0135 8.5074 123.5368 55.3638 18.5813 179.9550 5 A 4.1225 8.0103 118.5883 55.3493 18.5510 179.6039 6 A 4.3192 8.1744 120.6683 54.5729 18.3772 179.8093 7 K 4.1692 8.3092 118.3731 59.5799 32.2450 178.8565 8 F 4.0885 8.3680 121.0761 61.2202 38.9496 177.0021 9 E 4.0274 8.3116 117.7658 59.4824 29.1102 179.2928 10 R 3.8493 7.7797 117.2544 59.5706 30.2148 178.2367 11 Q 3.9730 7.9351 116.7012 58.1633 29.1221 176.4775 12 H 4.8445 7.9077 114.3054 54.5675 30.4760 173.6393 13 M 4.8468 7.7581 118.6461 53.5916 34.2498 176.2817 14 D 4.6980 8.8225 123.1622 53.5097 42.3180 175.5836 15 S 4.2472 8.5179 120.0478 60.7956 63.6022 176.7560 16 S 4.2989 8.0591 110.3372 59.4348 62.3843 173.8110 17 T 4.6298 8.0839 116.4964 62.7919 72.3236 174.1530 18 S 4.2401 8.5756 118.4897 59.5590 63.7544 173.5576 19 A 4.0449 7.2800 121.2547 51.0227 21.2071 175.4917 20 A 2.5983 8.5295 122.8317 52.8375 18.4886 178.3744 21 S 4.3627 8.1269 119.3221 58.0185 62.7425 174.8748 22 S 4.4547 8.4075 115.5713 57.8023 62.0493 169.9560 23 S 4.3324 8.4315 116.8186 60.4299 63.2715 174.5905 24 N 4.7608 8.1391 118.1467 53.4126 39.1474 175.9635 25 Y 4.0454 8.0940 121.0821 61.1984 38.7941 177.6256 26 C 4.0803 8.3141 117.1303 59.9189 35.3327 175.7830 27 N 4.3716 8.1402 117.6026 56.3650 38.1857 177.0834 28 Q 3.8263 7.7590 120.2695 59.3220 29.2319 177.8504 29 M 3.8060 7.6819 120.8666 58.3412 32.1187 178.0661 30 M 3.8198 8.0818 119.1586 57.9946 31.9516 178.8025 31 K 4.0094 7.9583 121.4719 58.9568 32.0978 179.1807 32 S 4.0788 8.0888 113.9676 61.2126 63.0617 175.5740 33 R 4.3411 7.9245 117.7742 55.3556 29.6718 175.7997 34 N 4.1805 7.6094 114.0208 54.7254 36.6597 174.6994 35 L 4.6135 8.1661 115.1176 54.8481 42.0856 178.1165 36 T 5.4156 7.8427 105.9056 60.3174 69.6305 175.5389 37 K 4.0390 8.1503 121.0731 59.9321 32.5723 177.1821 38 D 4.7423 7.6594 118.2288 51.9306 42.3172 176.3411 39 R 3.5258 6.7862 113.5272 55.3552 31.2534 174.1340 40 C 4.8013 8.6958 117.5326 55.8933 40.7223 173.7047 41 K 4.1774 8.6967 127.3656 55.8194 32.4998 174.4135 42 P 4.7439 0.0000 0.0000 64.6524 32.0241 176.3224 43 V 5.1035 7.5451 116.3707 61.3802 34.9704 173.9647 44 N 4.7221 9.0337 123.6204 53.0992 42.5023 172.9687 45 T 4.8053 8.2573 122.6629 61.8267 71.1921 173.4846 46 V 4.4270 8.4155 125.4111 60.9794 34.7432 174.1412 47 V 4.3438 8.6445 127.8623 61.3838 33.1429 175.5521 48 H 5.7109 8.8324 127.6745 53.6274 26.3971 173.0295 49 E 4.7658 7.6670 118.3264 53.3485 34.6726 176.2726 50 S 4.3565 8.3629 114.8145 58.2592 64.9871 174.9019 51 L 3.9885 8.5377 124.4215 58.3288 41.8776 179.1423 52 A 4.1394 8.0019 120.1864 55.4713 18.1480 179.1920 53 D 4.3383 7.9711 116.0851 57.4472 41.2094 178.9668 54 V 3.7903 7.8225 118.5927 66.1050 31.6681 178.2225 55 Q 3.9174 8.5982 117.9858 58.6706 28.5165 178.4635 56 A 4.0431 8.1080 121.6123 54.5339 18.2880 179.6388 57 V 3.4674 7.5297 116.9103 65.9337 31.2970 176.9055 58 C 3.8245 7.6481 114.0735 58.1219 39.9202 174.1332 59 S 4.6119 7.5524 115.3279 58.1964 64.2228 174.7584 60 Q 4.2651 7.3187 121.5793 54.4977 27.3534 177.4182 61 K 4.1860 7.9673 128.9424 57.4418 33.0580 175.5513 62 N 4.2969 8.7674 127.6992 53.3275 39.1626 174.3846 63 V 4.5944 8.3618 118.8094 58.9802 36.3209 175.4274 64 A 4.2933 8.4711 125.0378 52.5161 19.1140 178.3461 65 C 4.6923 8.7761 118.8500 55.4596 41.6977 175.4012 66 K 3.8246 8.6772 120.9067 59.5980 31.5681 178.1634 67 N 4.5917 8.0787 113.2008 52.8388 37.5959 175.4719 68 G 4.0002 8.0568 108.5959 45.7212 0.0000 174.5240 69 Q 4.2137 8.5389 119.0851 56.4452 29.1576 176.4575 70 T 4.6960 8.3047 108.8002 61.7009 69.2584 174.0459 71 N 5.1302 8.0806 117.6952 53.9449 38.5816 174.3087 72 C 5.4159 7.5042 116.3548 56.7641 43.7297 172.6296 73 Y 5.1066 8.9399 118.6942 56.4261 42.0134 173.8917 74 Q 5.1985 9.1144 124.9221 53.8874 31.4324 174.9238 75 S 4.1613 8.7507 122.0817 58.8085 63.0698 174.3872 76 Y 4.5109 8.7002 120.9544 60.4189 37.9980 176.2474 77 S 4.8517 7.8501 112.3849 56.3349 65.5827 173.3211 78 T 4.2361 8.0081 110.8952 61.7438 69.8747 173.7742 79 M 5.0319 9.0603 121.8139 53.4099 36.9277 174.5540 80 S 4.8490 9.2319 117.1853 58.3306 63.6021 173.1416 81 I 5.0567 9.1137 120.1021 59.5875 41.8205 174.1005 82 T 4.9421 8.6165 118.5765 61.9211 72.3918 172.5178 83 D 4.9301 9.3607 126.8545 53.0970 43.3555 174.1751 84 C 5.5424 9.1599 123.7291 55.3863 39.5108 173.1718 85 R 5.4398 8.7649 122.0389 54.0652 34.0443 174.8345 86 E 4.0095 8.9780 122.6933 57.1951 30.8237 176.8698 87 T 4.2224 8.1691 118.4883 60.4829 69.5507 175.7362 88 G 3.5674 8.6491 111.6988 48.4987 0.0000 174.6393 89 S 4.4491 7.8875 111.8900 58.1262 63.1644 173.4980 90 S 4.2328 7.5233 116.5809 57.8162 62.8406 173.7717 91 K 4.2728 8.7532 128.5315 55.3774 34.2764 174.1358 92 Y 4.3873 8.7949 128.0368 57.8948 39.0230 174.4698 93 P 3.4606 0.0000 0.0000 62.7281 31.9300 176.9639 94 N 4.7418 8.0885 119.3469 52.2572 37.1975 173.6192 95 C 4.6457 7.9136 116.7807 56.7482 38.1183 173.3866 96 A 4.9966 8.4154 123.9566 50.5111 22.1075 174.6612 97 Y 5.1178 9.5246 119.4299 55.9768 41.8166 175.0419 98 K 4.4516 9.3371 124.7306 55.8170 34.1379 175.3069 99 T 4.7968 8.5700 123.8493 62.4174 70.2571 174.1275 100 T 4.5113 8.6908 124.0000 61.7176 71.1953 173.1738 101 Q 4.8108 8.6887 127.9478 55.5632 30.4200 174.3866 102 A 4.6210 8.8706 125.9523 51.2468 23.6750 174.9437 103 N 5.5162 8.6499 116.0862 51.8314 41.0968 173.9070 104 K 4.5803 8.6288 122.6617 55.7568 37.0243 174.7471 105 H 4.8314 9.0599 117.5754 55.7515 29.7984 175.1542 106 I 4.7740 8.6156 115.5505 59.3325 40.7586 174.4894 107 I 4.8937 8.1726 124.2101 59.7509 40.2137 175.0078 108 V 4.7710 8.5587 119.5329 59.3046 35.8511 174.6204 109 A 4.9697 8.8211 125.2430 51.3003 20.4631 175.8271 110 C 5.2479 8.6646 118.8404 55.2510 39.4253 173.1645 111 E 4.6261 8.5828 117.4690 56.7480 33.0796 175.7726 112 G 3.8921 9.5987 107.3567 44.7882 0.0000 171.6834 113 N 5.0422 8.1637 116.3038 50.8228 40.5688 172.3770 114 P 4.3035 0.0000 0.0000 62.8934 31.8528 175.8958 115 Y 4.7434 8.2785 121.3115 57.0093 38.6540 174.4855 116 V 4.4131 7.9134 119.5793 58.1748 36.5411 173.4482 117 P 4.4687 0.0000 0.0000 62.9352 31.0867 177.0397 118 V 4.5083 8.5020 115.4300 61.0944 33.8429 175.1409 119 H 5.0250 7.9558 119.4878 55.0220 33.4308 171.8338 120 F 4.7027 8.6631 127.8695 57.1467 39.4441 174.6777 121 D 4.4930 8.5414 127.1204 56.1573 41.7647 175.6516 122 A 4.5956 6.4587 117.5452 51.7863 22.3838 174.5350 123 S 5.1497 8.8451 112.4218 56.7324 66.5574 174.5681 124 V 4.1114 9.0462 120.7782 63.2380 31.7870 175.0706 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 8.31 4.23 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.70 3.87 0.00 2.05 1.85 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 2.31 2.37 0.00 3 T 8.71 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 A 8.51 4.01 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 5 A 8.01 4.12 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 6 A 8.17 4.32 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 7 K 8.31 4.17 0.00 1.97 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 8 F 8.37 4.09 0.00 3.23 3.24 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 9 E 8.31 4.03 0.00 2.28 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 0.00 2.50 2.76 0.00 10 R 7.78 3.85 0.00 1.79 2.05 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 11 Q 7.94 3.97 0.00 1.68 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 12 H 7.91 4.84 0.00 1.88 2.71 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 13 M 7.76 4.85 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 14 D 8.82 4.70 0.00 2.78 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 15 S 8.52 4.25 0.00 3.95 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 16 S 8.06 4.30 0.00 3.99 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 17 T 8.08 4.63 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 1.19 0.00 0.00 18 S 8.58 4.24 0.00 3.95 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 19 A 7.28 4.04 1.12 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 0.00 0.00 20 A 8.53 2.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.13 4.36 0.00 3.98 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 22 S 8.41 4.45 0.00 4.03 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 23 S 8.43 4.33 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.14 4.76 0.00 2.82 2.89 0.00 0.00 6.44 7.60 0.00 0.00 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 Y 8.09 4.05 0.00 3.22 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 26 C 8.31 4.08 0.00 3.11 3.03 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 27 N 8.14 4.37 0.00 2.89 2.91 0.00 0.00 6.77 7.36 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 28 Q 7.76 3.83 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 29 M 7.68 3.81 0.00 1.41 1.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 30 M 8.08 3.82 0.00 1.55 1.67 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.16 0.00 31 K 7.96 4.01 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.30 7.81 32 S 8.09 4.08 0.00 3.99 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 33 R 7.92 4.34 0.00 1.78 1.97 0.00 3.52 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 34 N 7.61 4.18 0.00 2.86 2.88 0.00 0.00 6.82 7.91 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 35 L 8.17 4.61 0.00 1.70 1.60 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.84 5.42 4.42 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 1.37 0.00 0.00 37 K 8.15 4.04 0.00 1.92 1.97 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.47 7.81 38 D 7.66 4.74 0.00 2.57 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 39 R 6.79 3.53 0.00 1.72 1.63 0.00 2.88 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 40 C 8.70 4.80 0.00 3.08 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 41 K 8.70 4.18 0.00 1.89 1.78 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.43 7.81 42 P 0.00 4.74 0.00 2.15 2.11 0.00 3.90 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 43 V 7.55 5.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 44 N 9.03 4.72 0.00 2.77 2.45 0.00 0.00 7.02 6.83 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 45 T 8.26 4.81 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 0.79 0.00 0.00 46 V 8.42 4.43 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 1.01 0.00 0.00 0.86 0.00 0.00 47 V 8.64 4.34 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 1.01 0.00 0.00 1.07 0.00 0.00 48 H 8.83 5.71 0.00 3.08 3.45 0.00 5.63 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 49 E 7.67 4.77 0.00 1.93 1.83 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 2.24 2.26 0.00 50 S 8.36 4.36 0.00 4.06 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.54 3.99 0.00 1.82 1.74 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.00 4.14 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 53 D 7.97 4.34 0.00 2.86 2.77 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 54 V 7.82 3.79 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 1.25 0.00 0.00 1.09 0.00 0.00 55 Q 8.60 3.92 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 56 A 8.11 4.04 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 57 V 7.53 3.47 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 1.07 0.00 0.00 0.99 0.00 0.00 58 C 7.65 3.82 0.00 2.88 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 59 S 7.55 4.61 0.00 3.89 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 60 Q 7.32 4.27 0.00 1.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 1.83 2.15 0.00 61 K 7.97 4.19 0.00 2.13 1.89 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.46 7.81 62 N 8.77 4.30 0.00 2.61 2.61 0.00 0.00 7.01 7.71 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 63 V 8.36 4.59 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 0.73 0.00 0.00 0.87 0.00 0.00 64 A 8.47 4.29 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.78 4.69 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.68 3.82 0.00 1.80 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.75 1.55 7.81 67 N 8.08 4.59 0.00 2.80 2.91 0.00 0.00 6.27 7.00 0.00 0.00 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 8.06 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 69 Q 8.54 4.21 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 70 T 8.30 4.70 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 71 N 8.08 5.13 0.00 3.09 3.15 0.00 0.00 6.04 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 72 C 7.50 5.42 0.00 2.93 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 73 Y 8.94 5.11 0.00 2.81 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 74 Q 9.11 5.20 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 75 S 8.75 4.16 0.00 3.92 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 76 Y 8.70 4.51 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.85 4.85 0.00 3.99 3.93 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 78 T 8.01 4.24 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 1.05 0.00 0.00 79 M 9.06 5.03 0.00 1.92 1.98 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 2.53 2.48 0.00 80 S 9.23 4.85 0.00 3.91 3.93 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 81 I 9.11 5.06 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.96 0.00 0.00 82 T 8.62 4.94 4.28 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 1.28 0.00 0.00 83 D 9.36 4.93 0.00 2.70 2.54 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 84 C 9.16 5.54 0.00 2.89 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 85 R 8.76 5.44 0.00 1.75 1.81 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 86 E 8.98 4.01 0.00 1.84 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 0.00 1.69 1.96 0.00 87 T 8.17 4.22 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 88 G 8.65 3.57 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 0.00 0.00 0.00 0.00 89 S 7.89 4.45 0.00 3.97 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 90 S 7.52 4.23 0.00 3.75 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 91 K 8.75 4.27 0.00 1.83 1.59 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.43 7.81 92 Y 8.79 4.39 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 93 P 0.00 3.46 0.00 1.75 1.04 0.00 3.60 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 94 N 8.09 4.74 0.00 2.78 2.75 0.00 0.00 7.03 7.63 0.00 0.00 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 7.91 4.65 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 5.00 1.12 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 0.00 0.00 97 Y 9.52 5.12 0.00 2.88 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 98 K 9.34 4.45 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 99 T 8.57 4.80 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 1.35 0.00 0.00 100 T 8.69 4.51 4.26 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 1.22 0.00 0.00 101 Q 8.69 4.81 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 102 A 8.87 4.62 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 0.00 103 N 8.65 5.52 0.00 2.55 2.74 0.00 0.00 6.70 7.61 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 0.00 104 K 8.63 4.58 0.00 1.94 1.92 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.48 7.81 105 H 9.06 4.83 0.00 3.21 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.62 4.77 1.87 0.00 0.00 1.00 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 0.73 1.13 0.00 0.00 107 I 8.17 4.89 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 0.61 0.81 0.00 0.00 108 V 8.56 4.77 1.99 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 0.77 0.00 0.00 0.81 0.00 0.00 109 A 8.82 4.97 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 0.00 110 C 8.66 5.25 0.00 1.81 1.79 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 0.00 111 E 8.58 4.63 0.00 2.03 1.96 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 2.07 2.18 0.00 112 G 9.60 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 0.00 113 N 8.16 5.04 0.00 2.65 2.69 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.30 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 115 Y 8.28 4.74 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.91 4.41 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 0.72 0.00 0.00 0.87 0.00 0.00 117 P 0.00 4.47 0.00 0.49 0.92 0.00 3.29 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 118 V 8.50 4.51 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 0.57 0.00 0.00 0.93 0.00 0.00 119 H 7.96 5.02 0.00 3.28 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.66 4.70 0.00 2.66 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 0.00 121 D 8.54 4.49 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.46 4.60 1.21 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 0.00 0.00 123 S 8.85 5.15 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 9.05 4.11 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 0.94 0.00 0.00 0.93 0.00 0.00