NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1961 8.1727 122.0522 56.3009 34.1964 174.0568 2 V 4.5658 8.1277 126.1503 60.6995 32.4234 174.6070 3 F 4.3835 9.8671 128.8994 57.5631 40.2147 174.9192 4 E 4.3641 8.9757 121.2094 55.6588 31.0527 177.3285 5 R 3.3437 8.8975 122.3728 60.3101 29.9654 179.6798 6 C 4.3455 8.0660 115.2968 59.7117 34.9212 175.5669 7 E 3.8826 8.1005 120.7066 59.2174 29.2235 178.5407 8 L 3.6469 8.0595 120.1723 57.6907 42.1323 178.4295 9 A 3.9568 7.8564 120.8373 55.6196 18.4131 179.9720 10 R 3.9245 8.1696 116.3080 59.4492 29.9910 179.5501 11 T 3.8537 7.7342 115.3493 66.7257 68.5347 176.7544 12 L 3.8936 8.1209 121.2358 57.3676 41.5108 179.4830 13 K 3.8658 7.9214 119.5087 59.6919 31.9934 178.7798 14 R 3.8989 7.6197 117.0653 59.1829 29.9863 177.4386 15 L 4.3371 7.4124 115.7906 53.9941 41.9410 176.6543 16 G 3.8302 7.9708 106.9709 47.0901 0.0000 175.2082 17 M 3.8805 7.9102 121.1829 56.5237 32.5020 175.7824 18 D 4.5933 8.0504 117.6732 55.9031 41.2725 175.6787 19 G 3.9145 9.3837 115.2536 45.7826 0.0000 171.3456 20 Y 4.1020 8.3675 121.8774 58.4913 38.7876 176.3267 21 R 3.6438 8.9537 127.0059 57.2879 27.8453 177.0407 22 G 3.8047 8.0404 102.2730 46.0107 0.0000 173.9293 23 I 4.1710 7.6247 121.6804 58.9000 38.2431 175.9321 24 S 4.6301 8.3921 120.3734 57.7732 63.8737 174.8781 25 L 4.2303 9.0384 123.7982 58.6588 41.6543 179.4449 26 A 4.1418 7.6900 118.3672 55.1250 18.1801 179.4890 27 N 4.3972 8.0610 114.6442 56.4906 38.7279 177.6808 28 W 4.1709 8.0494 119.7853 59.9273 29.1519 178.4061 29 M 4.1971 8.5256 118.9344 58.4914 31.4420 177.7822 30 C 3.1186 8.2045 118.8605 59.2802 41.8660 175.1434 31 L 3.9232 8.1786 121.6049 58.4452 41.7037 178.8228 32 A 4.2614 8.2779 121.7809 54.2953 18.1500 179.5290 33 K 2.8346 8.0093 118.0688 59.3261 32.0539 179.1638 34 W 4.2023 7.6378 117.3717 59.0739 29.0512 178.5054 35 E 4.2846 8.4987 118.9032 58.7360 29.3725 177.8285 36 S 4.5443 7.9012 110.0976 56.7373 64.2656 174.4715 37 G 3.7784 8.3027 108.3555 46.8064 0.0000 173.2358 38 Y 3.6256 7.6337 113.4953 58.6400 35.4991 168.4199 39 N 5.3442 7.6711 119.3206 52.1396 39.8839 175.7541 40 T 4.1561 8.9933 117.0657 63.5941 69.2759 175.9269 41 R 4.4697 7.9790 116.9661 55.6109 30.3415 176.3105 42 A 4.2978 7.4729 121.2347 53.1397 19.3615 176.9104 43 T 5.0546 8.3033 110.4020 60.0874 72.3893 173.0306 44 N 4.8539 8.7979 122.0275 52.1245 42.2259 172.4224 45 Y 4.6505 8.7100 128.4375 57.5150 40.6328 173.9037 46 N 4.7344 8.5775 125.1390 51.2565 38.5695 175.3597 47 A 3.5513 8.3086 127.7071 54.7888 18.9192 179.0046 48 G 3.8660 8.1268 104.1275 48.2866 0.0000 173.7463 49 D 4.6885 7.4341 114.4828 51.8945 40.3967 175.9847 50 R 4.1672 8.2723 116.8938 57.2775 28.0791 175.7461 51 S 4.9460 7.9317 113.1734 57.1583 66.2487 172.8501 52 T 5.1377 8.6145 115.7649 61.9329 72.5837 172.8158 53 D 5.5037 8.8302 124.9338 53.0897 43.3055 175.1085 54 Y 5.0568 9.1666 120.6708 57.4365 41.9651 177.2787 55 G 4.2581 8.9490 111.7936 44.5875 0.0000 173.6373 56 I 3.8581 7.3806 117.2505 62.9206 37.8412 177.7623 57 F 4.8170 7.9732 115.5050 56.4600 39.9208 175.3112 58 Q 3.6010 7.8906 119.0883 57.1484 26.3870 173.7218 59 I 4.3839 8.4594 119.3750 61.1311 39.1417 176.6209 60 N 5.3765 9.2425 126.3201 53.2127 39.8152 175.7982 61 S 4.5451 9.1847 120.7322 60.9080 63.2838 175.4900 62 R 3.7377 8.7895 122.3934 58.7061 30.3042 177.7592 63 Y 4.1947 7.6247 114.6201 57.7985 40.5229 177.1904 64 W 4.7252 8.0126 119.0089 57.4346 30.3497 173.5126 65 C 5.6084 7.9628 110.0835 53.4426 45.7906 172.1886 66 N 4.9343 9.0798 119.4813 52.0994 39.6326 174.7634 67 D 4.8218 8.4461 122.6224 52.0368 40.7462 176.8393 68 G 4.2465 8.8166 113.2999 46.4052 0.0000 174.8537 69 K 4.3643 7.4106 114.4014 56.6679 32.7716 176.0538 70 T 4.4854 7.6175 116.9357 61.3491 69.1778 172.8226 71 P 4.2465 0.0000 0.0000 63.7465 31.9952 176.7298 72 G 4.2325 8.7557 107.7640 46.3882 0.0000 173.4086 73 A 4.3965 7.1912 120.2642 51.5536 19.2505 177.8361 74 V 4.3822 8.3990 112.2085 59.3146 35.9482 175.8335 75 N 4.9799 8.1324 118.3365 51.7033 37.6592 174.4340 76 A 4.0191 9.0032 125.0586 54.8752 19.1319 178.5423 77 C 4.4622 8.5238 111.5190 57.3035 41.0151 173.0125 78 H 4.0838 7.8075 115.4766 56.7801 26.1398 174.4834 79 L 4.8475 8.2073 117.4173 52.7096 46.2262 176.5944 80 S 4.6049 8.4038 115.8926 58.1113 63.3568 176.0390 81 C 4.0773 8.7385 125.0841 59.7834 34.9100 176.2192 82 S 3.9335 7.9668 114.3638 61.4056 61.6191 175.8716 83 A 4.1150 7.7892 122.4098 54.5085 18.0374 177.9055 84 L 4.5037 7.4532 115.4250 54.9384 41.5991 177.0887 85 L 5.0835 7.6972 115.9936 53.5873 42.4338 176.1053 86 D 4.7053 7.7789 118.7031 53.3600 42.0429 175.8558 87 D 4.5061 8.4961 120.6804 55.7803 41.1372 176.2077 88 N 4.9065 7.9639 118.0036 52.1597 40.3028 174.1877 89 I 5.0062 8.4000 116.2005 59.9452 38.4485 177.1894 90 A 3.9455 8.0844 125.9781 56.0565 18.0759 180.3537 91 D 4.3272 8.0096 116.8426 57.5048 41.1349 178.5118 92 D 4.4741 8.0687 118.9944 57.3691 40.9010 178.9204 93 V 3.3935 8.1943 118.8132 65.9215 31.4415 177.9195 94 A 3.8567 7.9456 120.5259 55.1615 18.0585 178.8960 95 C 4.1796 8.2891 116.7628 59.7882 40.2215 175.5051 96 A 3.8951 8.2677 122.7881 55.2124 17.5640 179.7636 97 K 3.6588 7.4828 116.1268 59.3898 32.2911 179.2661 98 R 4.0361 7.5158 119.1560 59.2537 30.0209 178.5332 99 V 2.2552 7.4837 118.2483 65.7943 31.4094 178.1231 100 V 3.8594 7.7281 110.3023 62.9991 31.2300 178.0397 101 R 4.2370 7.7120 117.4586 57.1333 30.4833 176.4112 102 D 4.7483 7.3720 118.9170 52.6201 42.0963 175.4707 103 P 4.2045 0.0000 0.0000 66.1112 31.6547 177.9248 104 Q 3.9989 8.2427 116.4320 56.9424 29.7041 177.6326 105 G 3.7028 8.2130 107.3027 46.8830 0.0000 175.3426 106 I 3.7588 7.7139 119.4850 63.1158 38.1066 178.2652 107 R 4.1663 7.3282 117.6471 58.4661 29.9924 177.5885 108 A 4.0384 7.4989 120.4384 53.9986 18.6933 177.3056 109 W 4.7726 8.0134 116.4355 55.0792 29.8325 177.4677 110 V 3.7703 8.6858 125.0184 64.8472 30.8426 177.9782 111 A 3.9878 8.3570 120.7981 54.5625 18.0156 179.3001 112 W 4.0096 8.3529 127.0176 60.6721 30.5846 178.4964 113 R 3.7665 8.1440 116.4554 59.3685 29.7105 178.3707 114 N 4.3602 8.1928 115.2493 55.5520 38.6369 176.8371 115 R 4.0337 7.9529 117.1748 56.0753 31.4837 176.3058 116 C 4.5807 7.1100 114.5131 57.4558 42.8286 174.1920 117 Q 3.2039 6.8877 120.3048 57.1253 28.7604 175.3640 118 N 4.1698 8.5005 120.6668 54.4515 36.3294 173.9909 119 R 4.5261 7.1758 114.6004 53.9806 33.1530 176.0586 120 D 4.5105 8.4416 119.1398 54.4075 40.1806 176.6335 121 V 4.4453 8.1725 118.9684 61.4312 32.0812 177.6876 122 R 4.0540 7.9167 119.3168 59.3767 29.9458 178.4310 123 Q 3.9431 8.2002 116.9408 59.8494 27.9195 178.6737 124 Y 4.2599 7.9292 117.3888 59.8435 38.1604 177.0027 125 V 4.4065 7.8264 111.1409 60.5669 32.9584 175.4581 126 Q 4.1356 7.5983 118.9636 57.2674 28.7721 176.7453 127 G 3.9057 8.8198 108.7933 46.4003 0.0000 174.6477 128 C 4.4447 8.0564 115.7614 56.5495 40.6322 174.1935 129 G 3.8458 8.1323 107.2326 46.6383 0.0000 174.1162 130 V 3.9933 7.8787 118.0835 61.0673 31.9365 175.9125 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 4.20 0.00 1.84 1.67 0.00 1.31 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.16 7.81 2 V 8.13 4.57 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 0.92 0.00 0.00 0.95 0.00 0.00 3 F 9.87 4.38 0.00 2.89 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 E 8.98 4.36 0.00 1.91 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 2.27 2.37 0.00 5 R 8.90 3.34 0.00 1.91 1.94 0.00 3.46 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 6 C 8.07 4.35 0.00 3.00 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 7 E 8.10 3.88 0.00 2.05 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 2.60 2.41 0.00 8 L 8.06 3.65 0.00 1.37 1.37 -0.13 0.60 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 9 A 7.86 3.96 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 10 R 8.17 3.92 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 11 T 7.73 3.85 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 1.21 0.00 0.00 12 L 8.12 3.89 0.00 1.61 1.60 0.96 0.51 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 13 K 7.92 3.87 0.00 1.86 1.80 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 R 7.62 3.90 0.00 1.87 2.20 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 1.67 0.00 15 L 7.41 4.34 0.00 1.65 1.55 0.85 1.33 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 16 G 7.97 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 0.00 0.00 0.00 17 M 7.91 3.88 0.00 1.31 1.96 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 18 D 8.05 4.59 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 9.38 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 20 Y 8.37 4.10 0.00 3.21 3.18 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 21 R 8.95 3.64 0.00 1.91 1.85 0.00 3.30 0.00 0.00 3.04 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.40 0.00 22 G 8.04 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 23 I 7.62 4.17 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.75 -0.12 0.00 0.00 24 S 8.39 4.63 0.00 4.07 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 25 L 9.04 4.23 0.00 2.08 1.82 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.69 4.14 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 8.06 4.40 0.00 2.87 2.87 0.00 0.00 6.94 7.58 0.00 0.00 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 8.05 4.17 0.00 3.55 3.19 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 0.00 29 M 8.53 4.20 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.91 0.00 30 C 8.20 3.12 0.00 2.56 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 31 L 8.18 3.92 0.00 1.78 1.84 0.56 0.03 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 32 A 8.28 4.26 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 2.83 0.00 1.45 1.71 0.00 0.74 0.00 0.00 1.09 0.00 0.00 2.58 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.21 0.37 7.81 34 W 7.64 4.20 0.00 3.35 3.27 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 35 E 8.50 4.28 0.00 1.92 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 2.51 2.29 0.00 36 S 7.90 4.54 0.00 4.15 4.22 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 37 G 8.30 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 0.00 0.00 0.00 38 Y 7.63 3.63 0.00 3.21 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 39 N 7.67 5.34 0.00 2.70 2.82 0.00 0.00 7.01 8.04 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 40 T 8.99 4.16 4.43 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 1.45 0.00 0.00 41 R 7.98 4.47 0.00 2.01 2.10 0.00 3.10 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 42 A 7.47 4.30 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 43 T 8.30 5.05 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 1.21 0.00 0.00 44 N 8.80 4.85 0.00 2.85 2.78 0.00 0.00 6.80 7.15 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 45 Y 8.71 4.65 0.00 3.08 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 46 N 8.58 4.73 0.00 2.68 2.62 0.00 0.00 6.50 6.80 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 47 A 8.31 3.55 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 48 G 8.13 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 0.00 0.00 0.00 49 D 7.43 4.69 0.00 2.69 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 8.27 4.17 0.00 2.05 2.24 0.00 3.13 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 1.65 1.54 0.00 51 S 7.93 4.95 0.00 3.99 3.92 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 52 T 8.61 5.14 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 0.61 0.00 0.00 53 D 8.83 5.50 0.00 2.75 2.74 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 0.00 0.00 0.00 54 Y 9.17 5.06 0.00 3.02 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 8.95 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 0.00 0.00 0.00 0.00 56 I 7.38 3.86 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 2.24 0.16 0.00 0.00 57 F 7.97 4.82 0.00 3.18 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 58 Q 7.89 3.60 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 59 I 8.46 4.38 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 1.42 1.14 1.15 0.00 0.00 60 N 9.24 5.38 0.00 3.07 2.99 0.00 0.00 6.97 7.55 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 61 S 9.18 4.55 0.00 4.20 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 0.00 62 R 8.79 3.74 0.00 1.59 1.39 0.00 2.71 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 63 Y 7.62 4.19 0.00 1.43 1.66 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 64 W 8.01 4.73 0.00 3.63 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 7.96 5.61 0.00 3.13 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 66 N 9.08 4.93 0.00 2.75 2.69 0.00 0.00 7.10 8.51 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 67 D 8.45 4.82 0.00 2.84 2.61 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 68 G 8.82 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 0.00 0.00 0.00 69 K 7.41 4.36 0.00 1.87 1.93 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 70 T 7.62 4.49 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 1.16 0.00 0.00 71 P 0.00 4.25 0.00 2.20 2.17 0.00 3.84 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 72 G 8.76 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 0.00 0.00 0.00 0.00 73 A 7.19 4.40 1.18 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 74 V 8.40 4.38 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 0.64 0.00 0.00 0.85 0.00 0.00 75 N 8.13 4.98 0.00 2.78 2.65 0.00 0.00 6.75 8.75 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 76 A 9.00 4.02 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 77 C 8.52 4.46 0.00 3.25 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 7.81 4.08 0.00 3.41 3.41 0.00 5.62 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 79 L 8.21 4.85 0.00 1.68 1.49 0.96 0.62 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 80 S 8.40 4.60 0.00 3.83 3.70 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 81 C 8.74 4.08 0.00 2.15 1.18 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 82 S 7.97 3.93 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 7.79 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.50 0.00 1.90 1.93 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.70 5.08 0.00 1.69 1.72 1.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.78 4.71 0.00 2.66 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 87 D 8.50 4.51 0.00 2.69 2.66 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 88 N 7.96 4.91 0.00 2.69 2.72 0.00 0.00 6.86 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 8.40 5.01 1.76 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.12 0.90 0.00 0.00 90 A 8.08 3.95 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 91 D 8.01 4.33 0.00 2.72 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 D 8.07 4.47 0.00 2.93 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 93 V 8.19 3.39 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 0.72 0.00 0.00 0.88 0.00 0.00 94 A 7.95 3.86 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 95 C 8.29 4.18 0.00 3.13 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 96 A 8.27 3.90 0.89 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 97 K 7.48 3.66 0.00 1.64 1.42 0.00 1.31 0.00 0.00 0.98 0.00 0.00 2.37 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.87 7.81 98 R 7.52 4.04 0.00 1.89 2.09 0.00 3.26 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 99 V 7.48 2.26 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 -0.11 0.00 0.00 -0.70 0.00 0.00 100 V 7.73 3.86 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 1.06 0.00 0.00 1.46 0.00 0.00 101 R 7.71 4.24 0.00 2.04 2.04 0.00 3.23 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.13 0.00 102 D 7.37 4.75 0.00 2.97 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 0.00 103 P 0.00 4.20 0.00 2.03 2.14 0.00 3.96 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 2.02 2.02 0.00 104 Q 8.24 4.00 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 105 G 8.21 3.70 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 0.00 0.00 0.00 106 I 7.71 3.76 1.07 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.87 -0.85 0.00 0.00 107 R 7.33 4.17 0.00 2.00 2.03 0.00 3.32 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.46 0.00 108 A 7.50 4.04 0.95 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 0.00 109 W 8.01 4.77 0.00 3.72 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 0.00 110 V 8.69 3.77 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 0.87 0.00 0.00 0.98 0.00 0.00 111 A 8.36 3.99 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 8.35 4.01 0.00 3.49 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 8.14 3.77 0.00 1.98 1.99 0.00 3.34 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 114 N 8.19 4.36 0.00 2.53 2.72 0.00 0.00 6.97 7.46 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 0.00 115 R 7.95 4.03 0.00 1.16 0.66 0.00 2.21 0.00 0.00 2.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.16 0.00 116 C 7.11 4.58 0.00 1.77 2.63 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 0.00 0.00 0.00 0.00 117 Q 6.89 3.20 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 118 N 8.50 4.17 0.00 2.79 2.81 0.00 0.00 6.85 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 7.18 4.53 0.00 1.73 1.79 0.00 3.20 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 120 D 8.44 4.51 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 121 V 8.17 4.45 2.33 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 0.99 0.00 0.00 1.03 0.00 0.00 122 R 7.92 4.05 0.00 1.91 2.03 0.00 3.17 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 123 Q 8.20 3.94 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.21 1.51 0.00 124 Y 7.93 4.26 0.00 3.12 3.19 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 0.00 125 V 7.83 4.41 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 1.07 0.00 0.00 1.05 0.00 0.00 126 Q 7.60 4.14 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 127 G 8.82 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 0.00 128 C 8.06 4.44 0.00 3.05 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 0.00 129 G 8.13 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 0.00 130 V 7.88 3.99 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 0.76 0.00 0.00 0.96 0.00 0.00