NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3808 8.1076 123.5817 51.8701 20.5642 178.7115 2 P 4.6823 0.0000 0.0000 62.8707 31.3395 170.7818 3 V 4.4374 8.7906 113.5289 60.6565 35.3894 176.7543 4 R 4.5522 8.6272 123.1767 55.4122 31.5454 175.9555 5 S 5.5498 8.3512 119.5897 56.3582 66.7278 173.2714 6 L 4.3933 7.9868 118.4685 54.8159 44.9381 173.4791 7 N 5.7714 9.1248 124.4304 52.8967 40.2853 173.8176 8 C 5.1965 8.0873 115.1878 58.1932 32.8223 172.1872 9 T 5.1739 8.5545 109.0991 59.9102 71.9459 172.7178 10 L 5.4102 8.6796 121.2336 53.0819 45.0869 176.0245 11 R 4.9629 8.9415 121.9976 54.5190 33.8013 174.6008 12 D 4.5625 8.9700 126.2891 52.5323 40.7702 177.3040 13 S 4.2586 8.0172 112.5919 60.3742 62.9779 174.7680 14 Q 4.1670 8.4645 121.5200 55.7357 28.8532 175.0241 15 Q 3.7541 8.3539 116.6175 57.5439 28.0859 172.8555 16 K 4.3741 7.9912 114.3996 55.1861 34.0452 176.0909 17 S 5.1051 8.8370 119.2707 57.2087 65.8375 173.1026 18 L 5.1716 8.3288 121.4923 53.8570 43.8806 176.0856 19 V 4.9493 8.8611 115.4754 59.4473 36.5792 174.4764 20 M 4.0738 8.5624 121.8441 56.7934 31.0775 174.8556 21 S 4.0503 9.6889 122.1593 59.3220 62.4707 177.3971 22 G 4.0855 7.4285 114.9846 44.2753 0.0000 172.1938 23 P 4.1721 0.0000 0.0000 64.7866 31.7502 176.3131 24 Y 4.9091 7.3368 116.8446 57.5326 39.6038 174.4187 25 E 4.9044 8.1687 117.4838 54.7413 34.4600 174.4365 26 L 5.2321 8.5965 121.9670 52.9331 45.0812 175.2705 27 K 5.2007 9.3721 122.8573 54.5743 36.3114 174.3555 28 A 5.4217 8.5710 126.8828 50.1027 21.3267 175.5569 29 L 4.8791 8.9132 122.1526 54.2945 44.6811 175.3120 30 H 4.5614 8.9966 118.0506 56.1866 28.5101 174.6410 31 L 4.7808 8.2512 124.9730 53.2294 44.4985 175.3260 32 Q 4.5725 8.5259 123.4845 56.2960 32.6752 174.7363 33 G 4.0649 8.6174 109.3833 45.4713 0.0000 175.4076 34 Q 4.0992 8.6334 118.7753 58.5893 29.2274 177.2094 35 D 4.5210 8.0261 116.0563 56.1862 41.2936 176.9379 36 M 4.3119 7.5682 116.1409 56.8440 31.8281 177.0312 37 E 4.1198 8.2259 120.2376 59.0791 30.1098 178.5404 38 Q 4.4263 7.9575 114.3615 56.2573 28.3909 175.0875 39 Q 4.4185 7.8506 120.0922 55.6022 29.9053 175.4096 40 V 3.6431 8.0467 125.4810 62.5729 32.5701 175.1265 41 V 4.2942 7.9511 126.9842 61.3023 33.5532 174.5516 42 F 5.0613 8.9319 126.7313 56.1664 41.9945 174.7708 43 S 4.9381 8.9563 116.4087 56.9698 64.5772 172.3617 44 M 4.7884 9.1337 128.7432 54.4468 33.7562 174.6909 45 S 5.2485 8.6513 122.2236 56.7776 66.0112 173.4549 46 F 4.7984 9.0141 124.0259 57.2060 38.9747 175.5034 47 V 4.5539 7.7865 117.9568 59.5605 34.3121 175.6094 48 Q 4.2414 9.1771 120.8269 55.5890 29.3115 177.3152 49 G 3.8045 7.8408 108.3477 46.3876 0.0000 172.2706 50 E 4.2954 8.4340 119.9166 54.7134 28.3663 175.8861 51 E 4.2900 8.2836 124.1184 56.4206 30.4886 175.3714 52 S 4.5293 8.2057 116.3287 57.5357 65.7186 173.8584 53 N 4.5188 8.7857 119.8718 55.5131 39.0571 175.0504 54 D 4.8222 8.0480 115.5656 52.7900 41.1930 175.3232 55 K 5.0941 7.9148 119.8855 54.6206 35.6904 174.9571 56 I 4.9797 8.5365 125.6549 58.5166 40.1031 173.2119 57 P 4.9733 0.0000 0.0000 63.1123 32.4729 175.8858 58 V 4.7102 9.4521 115.9376 59.6801 36.7588 173.9185 59 A 5.4845 8.6868 122.9975 49.4710 22.3275 175.7370 60 L 4.8032 8.8201 119.7748 53.0782 44.6917 175.9130 61 G 3.8930 8.5520 110.8620 43.6879 0.0000 171.3963 62 L 4.0477 8.2796 120.4233 54.1542 42.4698 177.3494 63 K 3.6894 8.5951 120.9996 58.4881 31.8605 176.3886 64 E 4.7256 7.8096 120.5321 56.0376 30.7688 176.1284 65 K 4.6273 7.4094 116.6792 54.5918 36.1190 176.5838 66 N 4.8672 8.3741 119.8439 52.6333 36.1716 174.4414 67 L 5.4197 7.3665 118.7997 53.8707 45.8820 177.0341 68 Y 5.1016 9.2132 120.7827 55.8816 41.8346 174.8235 69 L 4.9515 9.1166 123.7830 54.9169 42.9125 176.3629 70 S 4.9927 9.8427 117.8330 56.9139 67.1665 172.4944 71 C 5.3515 8.5645 118.7656 58.3581 29.9609 173.8698 72 V 4.7146 8.6118 116.0790 59.4380 36.4440 174.4366 73 L 4.4771 8.4680 121.9794 54.3347 42.4698 177.4480 74 K 4.2791 8.5791 122.7984 56.1420 33.5576 175.5979 75 D 4.5092 8.4386 125.7822 55.2552 37.2813 176.4796 76 D 4.5466 8.2675 116.1957 54.2874 39.0997 173.6312 77 K 4.3781 7.2198 121.4133 53.4528 34.5163 173.5561 78 P 3.6977 0.0000 0.0000 63.1689 31.5576 175.7984 79 T 4.7108 8.5751 120.5301 61.5700 73.0120 172.6402 80 L 5.1696 8.6805 127.2590 54.3114 43.2962 175.5897 81 Q 4.7774 9.6815 123.7386 54.4302 32.7158 173.8220 82 L 5.0271 8.6609 120.5582 54.0476 42.9689 175.5819 83 E 4.8459 9.7336 125.9223 54.2091 32.0597 175.1859 84 S 5.1253 8.8793 121.8075 58.5008 64.3351 173.4927 85 V 4.5210 8.3016 114.5107 59.0172 36.0346 174.8232 86 D 4.3940 8.6950 121.1935 54.1712 41.0311 175.0676 87 P 4.5846 0.0000 0.0000 64.6601 31.5161 177.6989 88 K 4.2658 8.9492 118.6989 58.6159 32.5654 177.6684 89 N 4.5889 8.0777 113.8438 52.7921 39.1608 174.4762 90 Y 4.5299 7.1764 117.4605 55.1723 41.4823 173.3891 91 P 4.7675 0.0000 0.0000 62.0076 32.7716 174.7866 92 K 4.6171 7.8230 116.6580 54.8650 35.8353 176.2289 93 K 4.0998 8.5300 119.7983 58.2633 32.5053 175.9178 94 K 4.5900 7.5106 120.3721 54.6755 30.8441 175.0692 95 M 4.4388 7.7591 122.2671 54.2581 33.4059 176.0921 96 E 4.3191 8.9519 119.4982 55.8233 30.7388 178.2218 97 K 3.7311 8.7633 121.6563 59.8289 32.6456 178.8419 98 R 3.5448 7.9012 118.1487 59.3698 29.6009 177.6170 99 F 4.8746 7.7847 113.6936 57.6886 39.6093 174.7885 100 V 4.6226 7.3738 122.4602 61.4984 33.1585 174.6361 101 F 5.3039 9.4098 126.0234 55.7441 43.0066 173.7785 102 N 5.1870 9.4579 120.3400 52.1135 40.2123 174.1341 103 K 4.3113 9.1299 126.8657 55.6545 33.7199 175.3487 104 I 5.3043 8.3306 128.2491 58.6643 40.3816 174.4376 105 E 4.8025 8.8169 126.5490 55.2079 30.5563 176.0159 106 I 4.2317 8.6166 126.8518 60.0540 39.5090 175.2844 107 N 4.2070 9.3164 125.0319 55.1520 35.3062 173.7879 108 N 4.2262 8.1161 108.6610 53.3073 37.2077 174.0979 109 K 4.8969 7.7654 116.6432 55.0611 36.6954 174.6916 110 L 5.2576 9.1473 120.2393 53.1706 45.4315 175.9259 111 E 5.2094 8.7961 120.0483 54.6960 34.1703 175.0796 112 F 5.0819 9.0399 121.4095 55.8744 41.4638 173.6543 113 E 4.4611 9.1088 126.0913 54.6614 31.2514 175.3197 114 S 4.2578 9.2174 122.3707 58.3182 62.2873 174.1309 115 A 4.0028 8.4421 129.6987 54.9085 18.2611 178.7940 116 Q 3.5082 7.8975 115.9295 58.2896 29.2697 175.8397 117 F 4.6885 7.9537 120.5628 54.5155 39.1808 172.7968 118 P 4.4422 0.0000 0.0000 64.0587 31.3554 176.6677 119 N 4.5387 10.1966 119.1237 53.3225 36.6633 173.1604 120 W 5.0891 7.8131 118.8033 55.1721 31.8244 174.6243 121 Y 5.4304 9.4641 121.5211 55.8325 41.9874 175.1118 122 I 4.3236 8.5971 123.0679 61.9077 38.2816 175.5342 123 S 5.1589 9.4745 122.9204 56.8927 67.4153 172.9420 124 T 5.0381 8.6710 111.6012 60.1110 72.3726 172.5633 125 S 4.9968 8.6288 116.2440 56.7348 63.7597 173.6408 126 Q 4.0317 8.9306 125.4918 59.0584 29.0131 177.2612 127 A 4.2923 7.8171 119.0578 51.7611 18.9288 176.7139 128 E 4.4552 8.4895 119.2394 56.4499 30.7568 176.2441 129 N 4.7572 8.5533 116.9376 54.9651 38.3499 173.6422 130 M 4.7904 7.2965 115.0985 52.5064 34.3194 174.0971 131 P 4.9682 0.0000 0.0000 62.6064 32.5893 176.1990 132 V 4.2325 8.4192 122.6175 63.3062 32.3003 174.9084 133 F 5.1293 8.9182 121.5885 55.4759 42.2417 172.4883 134 L 5.1236 8.9306 121.2917 54.0656 42.9265 175.7083 135 G 4.3636 9.8401 113.7454 43.9863 0.0000 173.3087 136 G 2.9185 7.4612 111.4611 44.2826 0.0000 174.3544 137 T 4.2935 7.3429 116.8134 61.3017 70.4778 174.1202 138 K 4.1271 8.2796 125.6772 56.7311 34.3128 179.5555 139 G 3.8609 8.0994 111.9927 44.5712 0.0000 178.4970 140 G 3.6636 8.5722 114.3196 46.5460 0.0000 171.8615 141 Q 4.3854 8.5334 117.6602 56.3161 30.3528 176.2351 142 D 4.8532 7.8115 116.9572 53.9874 42.3550 175.8780 143 I 4.2110 8.5703 123.8184 60.8138 38.3186 176.2477 144 T 5.0780 8.7655 114.9763 60.0174 70.2607 173.0619 145 D 5.3715 7.7336 122.1947 51.9919 42.4564 175.0623 146 F 5.4340 9.3946 119.2841 56.0394 44.1492 173.4779 147 T 5.0238 9.1059 109.5390 60.2031 71.8735 172.5768 148 M 5.2424 8.6579 122.3000 53.9145 35.2591 174.3973 149 Q 4.7114 8.5812 124.0220 53.9951 31.7001 175.1395 150 F 4.6097 8.8887 122.6308 57.6913 39.6710 175.7501 151 V 4.2278 7.8615 116.8857 61.2612 36.4768 174.1647 152 S 4.8359 8.4504 120.2324 59.8873 64.8676 177.4826 153 S 4.2731 8.5181 119.5956 59.3915 63.5293 175.7341 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 A 8.11 4.38 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 2 P 0.00 4.68 0.00 2.28 2.15 0.00 3.70 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 2.04 0.00 3 V 8.79 4.44 2.15 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 0.76 0.00 0.00 1.01 0.00 0.00 4 R 8.63 4.55 0.00 1.88 1.95 0.00 3.08 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 5 S 8.35 5.55 0.00 3.81 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 6 L 7.99 4.39 0.00 2.08 1.81 1.24 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.12 5.77 0.00 2.79 2.75 0.00 0.00 7.20 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 8 C 8.09 5.20 0.00 2.96 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 9 T 8.55 5.17 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 1.24 0.00 0.00 10 L 8.68 5.41 0.00 1.51 1.52 -0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.94 4.96 0.00 1.91 1.76 0.00 3.12 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 12 D 8.97 4.56 0.00 2.18 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.02 4.26 0.00 3.94 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 14 Q 8.46 4.17 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 15 Q 8.35 3.75 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 16 K 7.99 4.37 0.00 1.86 1.62 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.85 1.29 7.81 17 S 8.84 5.11 0.00 3.77 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 18 L 8.33 5.17 0.00 1.68 1.65 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.86 4.95 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 0.78 0.00 0.00 0.97 0.00 0.00 20 M 8.56 4.07 0.00 1.92 2.02 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 2.49 2.43 0.00 21 S 9.69 4.05 0.00 3.83 3.75 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 22 G 7.43 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 0.00 0.00 0.00 23 P 0.00 4.17 0.00 1.76 2.02 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 24 Y 7.34 4.91 0.00 3.04 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 25 E 8.17 4.90 0.00 1.95 1.81 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 2.37 2.33 0.00 26 L 8.60 5.23 0.00 1.63 1.59 1.03 0.63 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 27 K 9.37 5.20 0.00 1.80 1.61 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.56 7.81 28 A 8.57 5.42 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 29 L 8.91 4.88 0.00 1.88 1.73 0.97 1.08 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 30 H 9.00 4.56 0.00 3.31 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.25 4.78 0.00 1.70 1.52 0.93 0.75 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 32 Q 8.53 4.57 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.29 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 33 G 8.62 4.06 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 0.00 0.00 0.00 34 Q 8.63 4.10 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.73 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 35 D 8.03 4.52 0.00 2.75 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 36 M 7.57 4.31 0.00 2.03 2.25 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 2.85 2.48 0.00 37 E 8.23 4.12 0.00 2.19 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 2.32 2.45 0.00 38 Q 7.96 4.43 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 39 Q 7.85 4.42 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 40 V 8.05 3.64 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 0.23 0.00 0.00 0.80 0.00 0.00 41 V 7.95 4.29 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 0.96 0.00 0.00 0.84 0.00 0.00 42 F 8.93 5.06 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 43 S 8.96 4.94 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 44 M 9.13 4.79 0.00 2.15 1.81 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 2.28 1.90 0.00 45 S 8.65 5.25 0.00 3.87 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 46 F 9.01 4.80 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 47 V 7.79 4.55 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 0.74 0.00 0.00 1.03 0.00 0.00 48 Q 9.18 4.24 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 49 G 7.84 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 50 E 8.43 4.30 0.00 1.97 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 2.27 2.23 0.00 51 E 8.28 4.29 0.00 1.97 1.88 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 2.33 2.36 0.00 52 S 8.21 4.53 0.00 3.85 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 53 N 8.79 4.52 0.00 2.74 2.84 0.00 0.00 6.78 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 54 D 8.05 4.82 0.00 2.94 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 55 K 7.91 5.09 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 56 I 8.54 4.98 1.99 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 1.35 1.10 1.21 0.00 0.00 57 P 0.00 4.97 0.00 2.17 2.22 0.00 3.73 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 2.13 2.04 0.00 58 V 9.45 4.71 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 0.47 0.00 0.00 1.10 0.00 0.00 59 A 8.69 5.48 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 60 L 8.82 4.80 0.00 1.30 1.11 -0.26 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.55 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 62 L 8.28 4.05 0.00 1.46 1.39 0.76 0.54 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 63 K 8.60 3.69 0.00 1.77 1.65 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.58 7.81 64 E 7.81 4.73 0.00 1.92 1.88 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 2.19 2.26 0.00 65 K 7.41 4.63 0.00 1.58 1.59 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.23 7.81 66 N 8.37 4.87 0.00 2.95 3.05 0.00 0.00 5.85 6.67 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 67 L 7.37 5.42 0.00 1.48 1.56 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.21 5.10 0.00 2.84 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 69 L 9.12 4.95 0.00 1.72 1.78 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.84 4.99 0.00 3.43 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 71 C 8.56 5.35 0.00 2.86 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 72 V 8.61 4.71 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 0.61 0.00 0.00 0.94 0.00 0.00 73 L 8.47 4.48 0.00 1.52 1.53 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.58 4.28 0.00 1.61 1.67 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 75 D 8.44 4.51 0.00 2.82 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 76 D 8.27 4.55 0.00 2.81 2.80 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 77 K 7.22 4.38 0.00 1.71 1.55 0.00 1.53 0.00 0.00 1.36 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.56 7.81 78 P 0.00 3.70 0.00 0.49 0.49 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 79 T 8.58 4.71 4.34 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 1.22 0.00 0.00 80 L 8.68 5.17 0.00 1.78 1.69 1.18 0.69 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 81 Q 9.68 4.78 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 82 L 8.66 5.03 0.00 1.99 1.90 0.95 0.89 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 83 E 9.73 4.85 0.00 2.08 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 2.33 2.26 0.00 84 S 8.88 5.13 0.00 4.04 4.14 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 85 V 8.30 4.52 1.19 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 0.32 0.00 0.00 0.72 0.00 0.00 86 D 8.70 4.39 0.00 2.86 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 87 P 0.00 4.58 0.00 2.31 2.21 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 K 8.95 4.27 0.00 1.84 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 N 8.08 4.59 0.00 2.64 2.59 0.00 0.00 6.83 7.49 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 90 Y 7.18 4.53 0.00 2.89 2.69 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 91 P 0.00 4.77 0.00 2.26 2.29 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 92 K 7.82 4.62 0.00 1.66 1.47 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.35 7.81 93 K 8.53 4.10 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.46 7.81 94 K 7.51 4.59 0.00 1.86 1.68 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 95 M 7.76 4.44 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 96 E 8.95 4.32 0.00 2.26 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 2.47 2.46 0.00 97 K 8.76 3.73 0.00 1.62 1.69 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.29 7.81 98 R 7.90 3.54 0.00 1.38 1.01 0.00 2.69 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 99 F 7.78 4.87 0.00 3.29 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 0.00 100 V 7.37 4.62 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 0.96 0.00 0.00 1.03 0.00 0.00 101 F 9.41 5.30 0.00 3.10 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 0.00 102 N 9.46 5.19 0.00 2.67 2.78 0.00 0.00 6.65 8.62 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 0.00 103 K 9.13 4.31 0.00 1.81 1.77 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 0.80 7.81 104 I 8.33 5.30 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.71 0.98 0.00 0.00 105 E 8.82 4.80 0.00 1.83 1.91 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 2.28 2.39 0.00 106 I 8.62 4.23 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.88 0.00 0.00 107 N 9.32 4.21 0.00 2.83 2.83 0.00 0.00 7.27 8.00 0.00 0.00 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 N 8.12 4.23 0.00 2.95 2.96 0.00 0.00 6.13 7.13 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 0.00 109 K 7.77 4.90 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 110 L 9.15 5.26 0.00 1.54 1.01 0.94 1.07 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 0.00 111 E 8.80 5.21 0.00 1.96 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 2.18 2.22 0.00 112 F 9.04 5.08 0.00 2.77 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 0.00 113 E 9.11 4.46 0.00 1.85 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.47 0.00 114 S 9.22 4.26 0.00 4.01 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 0.00 115 A 8.44 4.00 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 0.00 116 Q 7.90 3.51 0.00 1.54 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 1.26 1.39 0.00 117 F 7.95 4.69 0.00 2.92 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 0.00 118 P 0.00 4.44 0.00 2.12 2.02 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 119 N 10.20 4.54 0.00 3.02 3.08 0.00 0.00 6.63 7.11 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 0.00 120 W 7.81 5.09 0.00 3.46 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 0.00 121 Y 9.46 5.43 0.00 2.92 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 0.00 122 I 8.60 4.32 1.81 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.67 0.00 0.00 123 S 9.47 5.16 0.00 2.72 3.10 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 T 8.67 5.04 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 1.34 0.00 0.00 125 S 8.63 5.00 0.00 4.02 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 0.00 126 Q 8.93 4.03 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 127 A 7.82 4.29 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 0.00 128 E 8.49 4.46 0.00 2.07 1.90 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 2.41 2.38 0.00 129 N 8.55 4.76 0.00 2.87 2.89 0.00 0.00 7.09 7.14 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 0.00 130 M 7.30 4.79 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 131 P 0.00 4.97 0.00 2.19 2.43 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 132 V 8.42 4.23 2.15 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 0.77 0.00 0.00 1.01 0.00 0.00 133 F 8.92 5.13 0.00 3.16 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 0.00 134 L 8.93 5.12 0.00 1.92 2.01 1.24 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.84 4.36 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 0.00 136 G 7.46 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 0.00 0.00 0.00 137 T 7.34 4.29 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 1.17 0.00 0.00 138 K 8.28 4.13 0.00 1.58 1.50 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.71 0.80 7.81 139 G 8.10 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 0.00 140 G 8.57 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.53 4.39 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 142 D 7.81 4.85 0.00 2.71 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 0.00 143 I 8.57 4.21 1.74 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 1.19 0.67 0.64 0.00 0.00 144 T 8.77 5.08 4.13 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 1.12 0.00 0.00 145 D 7.73 5.37 0.00 2.65 2.71 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 0.00 0.00 0.00 146 F 9.39 5.43 0.00 3.10 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 0.00 147 T 9.11 5.02 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 1.23 0.00 0.00 148 M 8.66 5.24 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 149 Q 8.58 4.71 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 150 F 8.89 4.61 0.00 2.96 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 0.00 151 V 7.86 4.23 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 0.78 0.00 0.00 0.99 0.00 0.00 152 S 8.45 4.84 0.00 3.84 3.72 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 0.00 153 S 8.52 4.27 0.00 3.82 3.64 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