NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6025 8.4293 116.1831 55.1476 30.3951 173.3668 2 C 4.0622 7.6372 114.1608 56.9984 30.0910 171.8408 3 D 4.5319 8.2858 118.5431 55.3559 40.0852 175.6369 4 L 4.0824 8.1256 120.7453 56.7303 42.3144 175.5503 5 P 4.6015 0.0000 0.0000 61.9920 32.4514 175.5566 6 C 4.1405 8.4447 114.3012 58.7636 30.2562 174.9076 7 G 3.9591 8.2820 107.5499 45.2995 0.0000 172.9315 8 V 4.2467 7.1721 119.1520 61.1628 32.3653 174.2097 9 Y 4.6174 7.9596 123.7173 56.4079 41.9175 174.8365 10 D 3.6061 7.7322 115.3360 51.8233 43.3934 174.9060 11 P 4.1140 0.0000 0.0000 64.4413 31.1700 178.0905 12 A 3.9879 8.4475 120.6971 54.9059 18.0153 179.6991 13 Q 3.7642 8.0243 116.6792 59.0087 28.7318 178.7853 14 A 4.0418 7.7539 121.2226 55.1170 18.4540 179.3816 15 R 3.8404 8.1266 117.3449 59.7585 30.0271 178.7497 16 I 3.6983 7.9810 119.6923 64.4390 37.0817 178.3690 17 E 3.9770 8.0335 119.2176 59.3848 29.3738 179.2674 18 A 4.0766 8.2327 120.7568 55.0583 18.2795 179.5625 19 E 3.9816 8.4059 117.6638 59.6365 29.3931 179.6855 20 S 4.1214 7.8292 115.5212 61.2725 62.8677 176.7161 21 V 3.5584 7.7836 121.0275 65.9438 31.2210 178.0335 22 K 4.0825 8.1136 118.9401 59.5479 32.1347 178.5048 23 A 4.0017 8.2421 121.2245 55.2801 18.2517 179.7159 24 I 3.7086 8.1094 118.5314 64.6693 37.0680 178.6414 25 Q 4.0384 8.1550 118.8869 59.0807 28.5099 178.7919 26 E 4.0121 8.5076 119.7800 59.3885 29.4288 179.6144 27 K 4.2048 8.1011 118.5216 59.6018 31.9582 179.2620 28 M 4.3888 8.2467 117.9456 58.2373 31.8643 178.2187 29 A 4.1847 7.6404 118.6777 54.3136 18.7388 178.6870 30 A 4.4997 7.9625 117.6993 52.0150 19.1857 176.6541 31 N 4.6537 7.7202 114.7320 51.7640 40.5487 173.3222 32 D 4.6800 8.6684 124.6425 53.3655 40.3581 176.7211 33 D 4.3887 8.6232 121.1173 54.8112 42.3374 176.2065 34 L 3.9423 8.6881 128.3072 58.9885 42.2383 178.9719 35 H 4.1523 8.2689 115.3641 58.6532 28.5433 177.5195 36 F 4.1918 8.4207 122.2796 61.3434 39.2659 177.2685 37 Q 3.8424 8.5150 118.0211 58.8030 28.3877 178.9755 38 I 3.6111 7.8009 120.8913 64.4848 37.1737 178.6920 39 R 3.8172 7.9139 118.6075 59.0783 29.8162 178.9570 40 A 3.7335 7.7551 120.7720 55.3351 18.2712 179.8255 41 T 3.7124 7.6172 114.0618 66.6708 68.4081 176.9230 42 V 3.5441 7.7962 120.1309 66.2893 31.5698 178.1997 43 I 3.7132 8.0571 119.8218 64.1291 36.9290 178.3141 44 K 3.9087 8.4159 121.0360 59.3121 31.9668 178.3498 45 E 3.9095 8.2860 119.6403 59.5015 29.5888 178.9627 46 Q 3.9765 7.8333 117.8748 59.0403 28.7112 178.9621 47 R 3.9357 8.1508 118.9020 59.1294 30.0026 178.9789 48 A 3.9738 8.0953 120.6489 55.0518 18.3573 179.2321 49 E 3.8585 8.1558 117.8266 59.4498 29.6132 179.1054 50 L 3.9223 8.0619 118.7464 57.6909 41.6678 179.2984 51 A 4.0522 8.2553 120.8745 55.0743 18.2275 179.8263 52 K 3.8779 8.3583 117.2495 59.8029 32.1753 178.8750 53 H 4.1031 8.2964 118.4245 59.8352 29.8198 176.8916 54 H 4.2335 8.3810 118.0687 58.9758 28.5147 177.8600 55 L 4.1313 8.0562 120.8137 57.8028 41.4156 179.1842 56 D 4.5547 8.5582 119.4046 57.4230 40.6704 179.0381 57 V 3.7750 8.0427 118.8466 65.8589 31.4788 178.1391 58 L 3.9693 7.9681 118.4530 57.4604 41.2469 179.3379 59 W 4.6779 8.4379 127.5049 60.6927 30.8400 177.8558 60 S 4.0644 8.7724 113.3430 60.5432 62.8631 175.2659 61 D 4.6718 8.2809 121.0845 56.1410 41.6462 177.4406 62 Y 3.4688 7.5601 118.2307 60.1027 39.0886 175.5887 63 F 4.0224 8.0268 118.4474 57.3388 39.4705 175.0943 64 K 4.5902 8.1806 123.4400 53.3925 35.3729 175.0826 65 P 4.4177 0.0000 0.0000 65.9643 31.0015 177.1797 66 P 4.2640 0.0000 0.0000 65.5703 31.1187 178.5165 67 H 4.2753 8.0561 115.4785 59.0167 28.4877 177.9089 68 F 4.4323 7.6000 117.1708 59.9136 38.7498 176.9747 69 E 4.1489 7.8770 118.8597 59.4079 29.6487 178.5657 70 S 4.2404 8.1482 113.9657 59.9036 64.0620 174.0555 71 Y 4.6881 8.0824 120.1402 54.7366 37.6611 174.1567 72 P 4.4442 0.0000 0.0000 64.6956 32.0262 177.3146 73 E 4.3252 8.1709 114.8867 56.9906 30.6766 177.8001 74 L 3.8875 8.2447 122.6319 58.8700 41.9504 178.2119 75 H 4.3142 8.3892 115.2215 59.6107 28.6670 177.6995 76 T 3.7919 7.9127 116.6279 66.3044 68.2305 176.2722 77 L 3.7344 8.1375 122.4990 58.1911 42.1581 179.2565 78 V 3.4871 7.9641 118.3226 65.9300 31.4692 177.3420 79 N 4.0032 8.0566 116.8361 56.8247 38.7073 176.7136 80 E 3.7786 8.3623 120.0268 58.9835 29.4423 179.2195 81 A 3.9306 7.6701 121.1560 55.2469 18.4370 180.1671 82 V 3.6083 7.8298 110.9683 64.3528 31.4780 179.0333 83 K 3.9607 8.0416 118.2267 59.1959 31.8252 179.2689 84 A 4.0571 8.1331 121.3591 55.0566 18.2724 179.7324 85 L 4.0024 7.8583 117.5432 57.9409 41.5577 179.7509 86 S 4.1038 8.2129 115.0196 61.6271 62.5531 176.6535 87 A 3.9852 8.1558 122.4150 55.0903 18.4883 179.2868 88 A 4.3025 7.9631 120.6727 54.4634 18.1618 179.9919 89 K 3.9344 7.8055 116.4665 59.4413 32.2334 178.5060 90 A 4.3733 7.4233 117.6506 51.6777 18.7606 176.7887 91 S 4.6370 7.2474 111.4586 57.1010 65.6553 173.8322 92 T 4.3576 8.3055 113.3918 61.3290 69.6824 174.0157 93 D 4.4948 8.4039 124.7019 53.3870 41.5624 175.1363 94 P 4.6756 0.0000 0.0000 64.7358 31.2665 178.3556 95 A 3.9901 8.5716 120.4950 55.1903 18.0635 179.7447 96 T 3.9731 8.1402 108.6900 64.9003 68.9077 177.2314 97 G 3.5887 8.1307 108.2031 47.4038 0.0000 175.2768 98 Q 3.9378 8.2603 122.1637 58.8397 29.1179 178.2111 99 K 3.7113 8.1774 120.4172 59.4029 32.1574 178.5607 100 A 4.1348 7.8220 120.9806 55.3152 18.3779 179.5759 101 L 3.9750 7.9101 117.4753 58.0974 41.6844 179.6110 102 D 4.3499 8.2815 118.9790 57.5048 40.6985 178.4304 103 Y 4.3580 7.8339 117.2583 61.1571 37.8619 178.4992 104 I 3.7773 8.1944 120.6959 64.3419 37.3181 178.3074 105 A 4.1619 8.1953 121.6471 55.1808 18.2842 179.7934 106 Q 4.0098 7.9818 116.1307 59.2697 28.7785 178.9566 107 I 3.7711 8.0308 120.9109 64.4189 37.1217 177.9363 108 D 4.4156 8.7104 119.3668 57.2032 40.9679 178.3319 109 K 4.1509 8.1514 119.8033 59.7251 32.2807 178.9463 110 I 3.5266 7.7199 119.7954 64.0229 36.8960 178.0830 111 F 4.1241 8.6480 121.9778 61.3513 39.2131 177.3948 112 W 4.1573 8.3040 118.1676 59.4917 28.6347 178.4794 113 E 4.1593 8.1260 118.9954 59.4670 28.7060 179.2366 114 T 4.0644 7.7918 108.9145 64.3176 68.9661 176.6702 115 K 4.0567 7.3921 120.9128 58.9594 32.1670 179.0591 116 K 4.1806 8.0778 118.2626 59.6137 32.6163 177.4032 117 A 4.3007 7.6623 125.8106 52.2928 18.4574 176.8517 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 H 8.43 4.60 0.00 3.24 3.27 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.64 4.06 0.00 3.11 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 3 D 8.29 4.53 0.00 2.91 2.83 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 4 L 8.13 4.08 0.00 1.60 1.75 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.60 0.00 2.34 2.12 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 6 C 8.44 4.14 0.00 3.00 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 7 G 8.28 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 0.00 0.00 0.00 8 V 7.17 4.25 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 9 Y 7.96 4.62 0.00 2.68 2.42 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 10 D 7.73 3.61 0.00 2.51 2.32 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 11 P 0.00 4.11 0.00 2.24 1.90 0.00 2.84 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.23 0.00 12 A 8.45 3.99 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 13 Q 8.02 3.76 0.00 1.79 1.56 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 2.19 2.28 0.00 14 A 7.75 4.04 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 15 R 8.13 3.84 0.00 1.89 2.08 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 16 I 7.98 3.70 1.86 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 1.52 0.94 0.91 0.00 0.00 17 E 8.03 3.98 0.00 2.12 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 0.00 2.57 2.54 0.00 18 A 8.23 4.08 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 19 E 8.41 3.98 0.00 2.22 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 2.34 2.58 0.00 20 S 7.83 4.12 0.00 4.01 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 21 V 7.78 3.56 2.28 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 8.11 4.08 0.00 1.89 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 A 8.24 4.00 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 24 I 8.11 3.71 2.06 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 1.53 0.88 0.91 0.00 0.00 25 Q 8.15 4.04 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 26 E 8.51 4.01 0.00 2.17 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 2.54 2.51 0.00 27 K 8.10 4.20 0.00 2.23 2.17 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.70 7.81 28 M 8.25 4.39 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.49 0.00 29 A 7.64 4.18 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 30 A 7.96 4.50 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 31 N 7.72 4.65 0.00 2.09 1.99 0.00 0.00 7.01 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 32 D 8.67 4.68 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.62 4.39 0.00 2.87 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 34 L 8.69 3.94 0.00 1.80 1.66 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.27 4.15 0.00 3.46 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.42 4.19 0.00 3.18 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 37 Q 8.51 3.84 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 38 I 7.80 3.61 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.88 0.00 0.00 39 R 7.91 3.82 0.00 1.72 1.90 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 40 A 7.76 3.73 0.77 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 41 T 7.62 3.71 4.32 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 1.17 0.00 0.00 42 V 7.80 3.54 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 1.00 0.00 0.00 0.92 0.00 0.00 43 I 8.06 3.71 1.86 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 1.38 0.83 0.89 0.00 0.00 44 K 8.42 3.91 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.29 3.91 0.00 2.29 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 2.29 2.39 0.00 46 Q 7.83 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 47 R 8.15 3.94 0.00 1.83 2.11 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 48 A 8.10 3.97 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 49 E 8.16 3.86 0.00 2.22 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 0.00 2.29 2.38 0.00 50 L 8.06 3.92 0.00 1.93 1.69 0.93 0.60 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 51 A 8.26 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.36 3.88 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.66 7.81 53 H 8.30 4.10 0.00 3.22 3.43 0.00 5.79 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 54 H 8.38 4.23 0.00 3.34 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.06 4.13 0.00 1.88 1.76 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.56 4.55 0.00 2.87 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 57 V 8.04 3.78 2.29 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 1.31 0.00 0.00 0.91 0.00 0.00 58 L 7.97 3.97 0.00 2.09 1.74 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.44 4.68 0.00 3.45 3.60 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 60 S 8.77 4.06 0.00 4.06 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 0.00 61 D 8.28 4.67 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.56 3.47 0.00 1.43 2.49 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 63 F 8.03 4.02 0.00 2.95 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 0.00 0.00 0.00 64 K 8.18 4.59 0.00 1.46 1.54 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.13 7.81 65 P 0.00 4.42 0.00 2.15 2.18 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 66 P 0.00 4.26 0.00 1.95 2.00 0.00 3.35 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 67 H 8.06 4.28 0.00 2.95 3.11 0.00 5.64 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 68 F 7.60 4.43 0.00 3.04 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 69 E 7.88 4.15 0.00 2.18 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 0.00 2.31 2.38 0.00 70 S 8.15 4.24 0.00 3.68 3.37 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 71 Y 8.08 4.69 0.00 2.98 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 72 P 0.00 4.44 0.00 2.07 2.16 0.00 3.69 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 2.03 2.23 0.00 73 E 8.17 4.33 0.00 2.16 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 2.39 2.30 0.00 74 L 8.24 3.89 0.00 1.92 1.95 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.39 4.31 0.00 3.23 3.32 0.00 5.68 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 76 T 7.91 3.79 4.37 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 1.17 0.00 0.00 77 L 8.14 3.73 0.00 1.84 1.85 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.96 3.49 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 0.89 0.00 0.00 1.13 0.00 0.00 79 N 8.06 4.00 0.00 2.67 2.74 0.00 0.00 7.27 7.26 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 80 E 8.36 3.78 0.00 1.40 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 2.17 2.38 0.00 81 A 7.67 3.93 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 82 V 7.83 3.61 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 0.82 0.00 0.00 0.86 0.00 0.00 83 K 8.04 3.96 0.00 1.89 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.48 7.81 84 A 8.13 4.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.00 0.00 1.92 1.73 0.94 0.89 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 86 S 8.21 4.10 0.00 4.03 3.90 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 87 A 8.16 3.99 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 88 A 7.96 4.30 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 89 K 7.81 3.93 0.00 1.97 2.12 0.00 1.69 0.00 0.00 2.01 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.42 4.37 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 91 S 7.25 4.64 0.00 3.80 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 92 T 8.31 4.36 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 1.21 0.00 0.00 93 D 8.40 4.49 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.68 0.00 2.20 2.20 0.00 3.94 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 2.12 2.03 0.00 95 A 8.57 3.99 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 96 T 8.14 3.97 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 97 G 8.13 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 3.94 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 99 K 8.18 3.71 0.00 1.96 1.94 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.27 7.81 100 A 7.82 4.13 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 0.00 101 L 7.91 3.97 0.00 1.93 1.74 0.93 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 0.00 102 D 8.28 4.35 0.00 2.58 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 0.00 103 Y 7.83 4.36 0.00 3.22 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.19 3.78 2.07 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 1.51 0.79 0.94 0.00 0.00 105 A 8.20 4.16 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 0.00 106 Q 7.98 4.01 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 107 I 8.03 3.77 2.09 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 1.45 0.93 1.10 0.00 0.00 108 D 8.71 4.42 0.00 2.93 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 0.00 109 K 8.15 4.15 0.00 2.00 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.58 7.81 110 I 7.72 3.53 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.45 -0.11 0.00 0.00 111 F 8.65 4.12 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.30 4.16 0.00 3.57 3.26 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 0.00 113 E 8.13 4.16 0.00 2.27 2.19 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 2.46 2.55 0.00 114 T 7.79 4.06 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 1.33 0.00 0.00 115 K 7.39 4.06 0.00 1.92 1.89 0.00 1.44 0.00 0.00 0.91 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.48 0.51 7.81 116 K 8.08 4.18 0.00 1.99 2.14 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.76 1.51 7.81 117 A 7.66 4.30 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