NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2489 8.3049 120.2875 57.7446 33.5585 174.0226 2 K 4.6025 7.5999 116.6226 55.9310 34.5710 174.4774 3 K 4.3423 8.6152 119.3378 54.9051 34.3132 176.0956 4 L 4.2016 8.4606 125.2399 54.4532 41.7224 176.9308 5 T 4.7518 8.1948 120.6461 62.1469 70.1692 174.4379 6 F 4.7573 8.7230 122.1171 55.9244 42.3320 175.0647 7 E 4.4856 8.5671 125.2602 54.7394 28.6736 175.8751 8 I 4.1351 7.8954 124.5896 61.2133 35.1338 175.7785 9 R 4.3326 8.1373 122.6543 56.7918 31.4516 177.0105 10 S 4.9227 7.8078 110.6708 55.5084 65.6990 173.1689 11 P 4.2848 0.0000 0.0000 65.3963 31.0137 178.9559 12 A 4.0273 7.9411 119.6653 55.1489 18.4708 178.9193 13 H 4.2114 8.0936 115.1488 59.3274 28.9667 177.7764 14 Q 4.1985 7.9664 118.1819 58.3195 28.1723 177.8742 15 Q 3.9820 7.8084 122.4788 59.1011 29.0921 177.2423 16 N 4.5903 8.3481 117.9317 56.3035 39.0927 176.8313 17 A 3.5686 7.9105 122.1632 55.0899 18.4725 179.7080 18 I 3.6851 7.8116 118.0622 64.3616 37.0183 178.4551 19 H 4.1123 7.8126 116.1258 58.6847 28.4302 177.1479 20 A 4.0335 7.8075 121.4643 55.5310 18.4937 179.6702 21 V 3.6247 7.5886 115.9919 66.3672 31.4838 178.2484 22 Q 4.0664 7.8882 116.1452 58.6799 28.5593 178.0936 23 Q 4.4218 7.7521 116.6566 54.9737 29.1391 175.4295 24 I 4.0694 7.3774 122.8575 60.0160 37.8858 175.2193 25 L 4.5001 8.2877 126.5623 52.9274 40.7746 174.5828 26 P 4.3218 0.0000 0.0000 63.1433 31.8642 175.9062 27 D 4.4015 8.4007 118.6329 52.9221 42.7861 174.0198 28 P 4.2323 0.0000 0.0000 65.6759 30.8902 176.9650 29 T 4.0591 7.1838 117.0226 64.5391 68.9179 176.1898 30 K 4.3449 8.8962 134.0821 52.5801 30.8943 177.0326 31 P 4.5662 0.0000 0.0000 61.7531 32.4193 176.7662 32 I 4.3708 7.9770 119.1058 59.5230 39.1214 175.3517 33 V 4.0642 8.3117 125.6874 61.4819 32.4701 175.1032 34 V 4.4336 8.1669 126.4212 61.2113 33.5831 174.9425 35 T 4.5449 8.1185 115.5195 60.3668 71.1524 173.3043 36 I 4.3111 8.0635 127.3238 59.8161 38.7605 175.1075 37 Q 4.5689 7.7195 119.4354 55.8795 30.0072 173.2161 38 E 4.2730 8.6089 120.5514 55.4869 30.6446 176.5633 39 R 4.2249 8.2320 122.3144 56.3388 31.0022 176.4747 40 N 5.0151 8.4770 119.6292 51.0743 41.2613 175.9988 41 R 3.8537 8.6785 124.5906 62.0209 29.2480 179.0255 42 S 4.0805 8.0530 113.2231 61.4851 62.3063 176.3055 43 L 4.0147 7.7093 121.1712 58.1024 41.7098 178.3681 44 D 4.5157 8.3987 118.6824 56.4309 40.7215 178.7466 45 Q 3.9705 8.1003 119.6026 59.0564 28.9785 178.1317 46 N 4.7798 7.9572 117.2064 56.1400 38.5199 177.9030 47 R 4.0681 8.0492 119.7472 59.2351 30.2697 178.9575 48 K 4.2632 7.8686 120.7489 58.8221 32.1701 178.2921 49 L 3.7318 8.5747 121.0267 58.1511 42.0182 179.0915 50 W 4.3584 8.1191 118.0771 59.4311 29.0876 178.6363 51 A 4.0907 7.9244 120.6875 55.4234 17.8070 179.4854 52 C 4.5739 8.0714 115.2357 63.0978 28.2270 176.2805 53 L 4.0947 8.1716 120.7562 57.7947 41.1764 179.8895 54 G 3.7968 8.3333 105.7215 47.8054 0.0000 175.6115 55 D 4.3388 8.0255 120.8132 57.1989 40.9353 179.0275 56 V 3.3624 7.9945 119.0304 65.9142 31.2766 177.5124 57 S 4.4625 8.5177 113.1658 62.1573 62.0340 176.6299 58 R 3.9834 8.3072 119.8249 58.5952 29.8793 178.2229 59 Q 4.6063 8.2018 116.4292 55.2567 30.0833 175.9084 60 V 4.3439 8.0476 120.0798 60.9664 32.8311 174.4603 61 E 3.2580 8.4769 128.1199 54.4340 30.5031 175.1461 62 W 4.8067 8.8714 135.0000 56.4852 31.3373 175.1421 63 H 3.6882 9.1796 126.4105 56.7343 25.4335 176.1609 64 G 3.8729 7.9576 103.8461 45.5625 0.0000 172.6052 65 R 4.6674 7.5749 117.9095 53.8510 33.6257 174.4855 66 W 5.0032 8.6610 118.9653 55.0888 30.8660 175.6113 67 L 4.5217 8.6038 123.8582 53.5717 42.6447 177.0488 68 D 5.0425 8.6540 123.2424 51.7442 42.2930 177.1248 69 A 4.3533 8.7711 120.3590 55.7136 18.3376 179.5792 70 E 4.3097 8.4846 116.5227 59.6637 29.6376 179.5825 71 S 4.1024 8.8222 115.4511 61.5847 62.9841 176.8250 72 W 4.0163 8.2600 121.5074 59.4255 28.6055 178.5452 73 K 4.0138 8.2211 119.8478 59.6767 31.5508 178.3869 74 C 4.0707 8.0351 118.7657 62.5790 31.2430 175.7709 75 V 3.4585 7.4251 118.7933 65.5760 31.2688 177.8301 76 F 4.3958 8.1097 117.9059 60.6161 38.9858 178.0487 77 T 3.8866 8.2922 109.4411 64.6865 66.8831 176.1992 78 A 4.6017 8.1773 124.0876 53.8435 18.1531 178.9937 79 A 4.0899 7.8846 118.3167 53.9658 18.6327 178.5905 80 L 4.5639 6.9549 114.3740 54.1107 43.4324 176.7736 81 K 4.3925 7.7354 119.4776 54.8149 35.5765 174.8742 82 Q 4.2892 8.6909 124.5554 56.7338 28.9466 176.1872 83 Q 4.4896 8.3154 118.1348 55.8262 30.2899 174.9571 84 D 4.9373 9.2219 121.2760 53.2250 43.7622 175.9297 85 V 4.9519 8.1272 119.0609 61.6260 34.1595 174.7713 86 V 4.6883 8.5049 120.0765 58.5581 35.7166 173.5470 87 P 4.8383 0.0000 0.0000 62.6264 32.1338 176.3516 88 N 4.6926 8.5142 119.9609 51.9490 38.4880 176.1660 89 L 3.9338 8.5965 119.0645 58.0821 41.7683 179.1032 90 A 3.9833 7.9202 119.8384 53.2949 18.4763 178.0556 91 G 3.9487 8.3012 103.3837 46.4344 0.0000 173.5665 92 N 5.1158 7.9629 113.2907 51.4847 38.6262 174.6314 93 G 4.1435 7.9427 106.4474 46.7345 0.0000 171.9430 94 F 5.2753 8.1064 118.8846 56.1394 41.3992 174.1945 95 V 4.4457 9.1139 117.7630 60.1624 34.6438 174.7303 96 V 4.9142 8.5173 116.2203 60.0275 33.8769 175.3440 97 I 4.4950 8.8894 125.0422 59.5063 40.1163 175.7436 98 G 4.1913 8.7528 114.4413 45.2229 0.0000 173.0562 99 Q 4.3388 8.5421 119.3406 55.5753 28.1108 176.2953 100 S 4.7526 8.3139 115.3868 57.2096 64.6889 175.3987 101 T 3.9910 8.4031 112.1673 63.8970 68.5791 175.2420 102 S 4.0432 6.8083 116.6805 62.1432 63.6196 175.3419 103 R 4.3388 7.8357 124.5923 56.4505 29.1745 176.4889 104 M 4.7687 7.5644 116.5226 53.6014 35.4335 174.7264 105 R 4.3570 9.0504 125.0884 55.7773 31.5480 178.2069 106 V 3.3789 8.1210 123.0578 66.0473 32.9132 177.8821 107 G 3.7659 8.5024 108.9321 48.8038 0.0000 174.4441 108 E 4.3974 8.2857 115.5597 56.0936 29.9775 177.1987 109 F 4.3863 7.7523 121.1448 59.7384 40.5463 177.2031 110 A 4.2120 8.4875 120.4226 54.3281 18.1811 179.1490 111 E 3.8733 8.0474 118.0902 59.0144 29.7324 178.4734 112 L 3.7538 7.5796 119.9678 58.1253 42.2700 178.7110 113 L 3.7551 7.5717 120.8758 58.2345 41.4613 180.1830 114 E 3.8181 7.8501 118.1036 60.8587 29.6847 181.5242 115 L 4.1132 7.6806 121.7739 57.9911 42.1537 178.9660 116 I 2.8676 7.3650 119.5727 64.4005 37.0227 178.3378 117 Q 3.2835 7.6516 118.3110 58.6214 28.4325 178.8572 118 A 3.9886 8.4281 121.9945 55.2190 18.3531 179.3788 119 F 4.1678 9.0758 119.3985 61.6191 39.5392 177.6786 120 G 3.6236 9.1904 105.5509 47.7466 0.0000 175.9749 121 T 4.0293 8.3024 118.3445 66.6844 68.4200 176.4424 122 E 3.7507 7.8590 118.0961 59.6212 29.3304 178.5206 123 R 4.2183 7.3995 115.8544 54.5051 31.1683 176.5830 124 G 3.8697 8.6051 108.0932 46.4947 0.0000 174.2616 125 V 3.5607 7.7700 116.6785 62.0201 32.5012 175.8604 126 K 4.1182 8.6262 127.4977 54.1274 30.9092 175.7168 127 W 4.5471 7.9398 125.4313 56.2565 29.7436 178.1464 128 S 4.5235 8.8584 118.5506 58.2711 65.4793 174.0032 129 D 4.5268 8.5174 119.7585 57.6428 40.4572 178.2120 130 E 3.9581 8.2834 118.7123 58.7448 29.5625 178.1379 131 A 4.3415 7.6660 122.5847 54.6413 18.9059 179.1879 132 R 4.2576 7.6995 113.4806 56.0943 29.6299 179.5775 133 L 4.1525 7.2785 124.4443 56.6549 41.9525 176.7338 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 M 8.30 4.25 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.01 0.00 2 K 7.60 4.60 0.00 1.79 1.75 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.47 7.81 3 K 8.62 4.34 0.00 1.83 1.80 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.45 7.81 4 L 8.46 4.20 0.00 1.81 1.70 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.19 4.75 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 1.28 0.00 0.00 6 F 8.72 4.76 0.00 2.83 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 7 E 8.57 4.49 0.00 1.88 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 2.23 2.29 0.00 8 I 7.90 4.14 1.89 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 1.46 0.51 0.94 0.00 0.00 9 R 8.14 4.33 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 10 S 7.81 4.92 0.00 3.96 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 11 P 0.00 4.28 0.00 2.19 2.15 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 12 A 7.94 4.03 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 13 H 8.09 4.21 0.00 3.54 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.97 4.20 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 15 Q 7.81 3.98 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 16 N 8.35 4.59 0.00 3.02 3.13 0.00 0.00 7.04 8.07 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 17 A 7.91 3.57 1.17 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 0.00 0.00 18 I 7.81 3.69 1.99 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 1.46 1.12 0.84 0.00 0.00 19 H 7.81 4.11 0.00 3.43 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.81 4.03 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 21 V 7.59 3.62 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 0.97 0.00 0.00 0.82 0.00 0.00 22 Q 7.89 4.07 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 23 Q 7.75 4.42 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 24 I 7.38 4.07 1.92 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 1.36 0.80 0.91 0.00 0.00 25 L 8.29 4.50 0.00 1.73 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.32 0.00 2.19 2.10 0.00 3.78 0.00 0.00 3.68 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 27 D 8.40 4.40 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.23 0.00 2.07 2.13 0.00 3.72 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 2.03 2.14 0.00 29 T 7.18 4.06 4.41 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 1.21 0.00 0.00 30 K 8.90 4.34 0.00 1.71 1.63 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.23 7.81 31 P 0.00 4.57 0.00 2.16 2.08 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 32 I 7.98 4.37 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.92 0.00 0.00 33 V 8.31 4.06 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 0.76 0.00 0.00 0.92 0.00 0.00 34 V 8.17 4.43 2.05 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 0.85 0.00 0.00 0.90 0.00 0.00 35 T 8.12 4.54 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 36 I 8.06 4.31 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 1.43 0.55 0.90 0.00 0.00 37 Q 7.72 4.57 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 38 E 8.61 4.27 0.00 1.95 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 2.28 2.33 0.00 39 R 8.23 4.22 0.00 1.84 1.84 0.00 3.72 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 N 8.48 5.02 0.00 2.84 2.84 0.00 0.00 6.23 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 41 R 8.68 3.85 0.00 1.83 2.01 0.00 3.29 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.29 0.00 42 S 8.05 4.08 0.00 3.79 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 43 L 7.71 4.01 0.00 1.81 1.96 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.40 4.52 0.00 2.85 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 45 Q 8.10 3.97 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 46 N 7.96 4.78 0.00 2.89 3.18 0.00 0.00 7.10 8.68 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 47 R 8.05 4.07 0.00 2.09 2.20 0.00 3.26 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 48 K 7.87 4.26 0.00 1.87 1.93 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.35 7.81 49 L 8.57 3.73 0.00 1.75 1.66 0.45 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.12 4.36 0.00 3.67 3.29 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 51 A 7.92 4.09 1.49 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 0.00 0.00 52 C 8.07 4.57 0.00 3.07 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 53 L 8.17 4.09 0.00 1.98 1.89 0.33 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.33 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 55 D 8.03 4.34 0.00 3.03 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.36 1.89 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 -0.45 0.00 0.00 0.93 0.00 0.00 57 S 8.52 4.46 0.00 4.26 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 58 R 8.31 3.98 0.00 1.85 1.96 0.00 3.17 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 59 Q 8.20 4.61 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 60 V 8.05 4.34 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 1.06 0.00 0.00 0.90 0.00 0.00 61 E 8.48 3.26 0.00 1.16 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 1.72 1.47 0.00 62 W 8.87 4.81 0.00 3.09 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 63 H 9.18 3.69 0.00 2.90 3.04 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.96 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 65 R 7.57 4.67 0.00 1.96 1.80 0.00 3.05 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 1.52 1.51 0.00 66 W 8.66 5.00 0.00 3.32 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 67 L 8.60 4.52 0.00 1.02 1.31 0.84 0.10 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 D 8.65 5.04 0.00 3.03 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 69 A 8.77 4.35 1.76 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 70 E 8.48 4.31 0.00 2.17 2.17 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 2.70 2.56 0.00 71 S 8.82 4.10 0.00 4.02 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 72 W 8.26 4.02 0.00 3.63 3.31 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 73 K 8.22 4.01 0.00 1.99 2.00 0.00 1.21 0.00 0.00 0.85 0.00 0.00 3.24 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.17 7.81 74 C 8.04 4.07 0.00 3.22 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 75 V 7.43 3.46 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 0.27 0.00 0.00 0.55 0.00 0.00 76 F 8.11 4.40 0.00 3.26 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 77 T 8.29 3.89 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 1.20 0.00 0.00 78 A 8.18 4.60 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 79 A 7.88 4.09 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 80 L 6.95 4.56 0.00 1.72 1.70 0.87 0.77 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 81 K 7.74 4.39 0.00 1.75 1.60 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.36 7.81 82 Q 8.69 4.29 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 83 Q 8.32 4.49 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 84 D 9.22 4.94 0.00 2.78 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 85 V 8.13 4.95 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 0.76 0.00 0.00 0.91 0.00 0.00 86 V 8.50 4.69 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 0.73 0.00 0.00 0.97 0.00 0.00 87 P 0.00 4.84 0.00 1.96 2.02 0.00 3.70 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 2.05 2.12 0.00 88 N 8.51 4.69 0.00 2.81 2.99 0.00 0.00 7.11 6.47 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 89 L 8.60 3.93 0.00 1.65 1.79 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.92 3.98 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 G 8.30 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 92 N 7.96 5.12 0.00 2.77 2.85 0.00 0.00 6.61 7.95 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 93 G 7.94 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 0.00 0.00 0.00 94 F 8.11 5.28 0.00 3.15 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 95 V 9.11 4.45 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 0.81 0.00 0.00 0.95 0.00 0.00 96 V 8.52 4.91 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 0.99 0.00 0.00 0.98 0.00 0.00 97 I 8.89 4.49 1.90 0.00 0.00 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 1.19 1.04 0.94 0.00 0.00 98 G 8.75 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 0.00 0.00 0.00 0.00 99 Q 8.54 4.34 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 100 S 8.31 4.75 0.00 4.05 4.02 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 0.00 0.00 0.00 101 T 8.40 3.99 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 1.08 0.00 0.00 102 S 6.81 4.04 0.00 3.93 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 0.00 103 R 7.84 4.34 0.00 1.81 1.94 0.00 3.22 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 104 M 7.56 4.77 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 105 R 9.05 4.36 0.00 2.08 1.84 0.00 3.22 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 106 V 8.12 3.38 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 1.05 0.00 0.00 0.85 0.00 0.00 107 G 8.50 3.77 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 0.00 108 E 8.29 4.40 0.00 2.10 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 2.53 2.29 0.00 109 F 7.75 4.39 0.00 3.26 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 A 8.49 4.21 1.42 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 0.00 0.00 111 E 8.05 3.87 0.00 2.03 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 2.34 2.34 0.00 112 L 7.58 3.75 0.00 1.53 1.36 0.78 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.57 3.76 0.00 1.92 1.57 0.68 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.85 3.82 0.00 2.01 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 2.24 2.18 0.00 115 L 7.68 4.11 0.00 1.85 1.76 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.36 2.87 1.44 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 -0.17 -0.14 0.59 0.00 0.00 117 Q 7.65 3.28 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.48 2.21 0.00 118 A 8.43 3.99 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 0.00 119 F 9.08 4.17 0.00 3.27 3.40 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 0.00 120 G 9.19 3.62 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 0.00 0.00 0.00 121 T 8.30 4.03 4.68 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 1.28 0.00 0.00 122 E 7.86 3.75 0.00 2.08 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 0.00 2.35 2.12 0.00 123 R 7.40 4.22 0.00 1.52 1.80 0.00 2.21 0.00 0.00 2.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 124 G 8.61 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 0.00 125 V 7.77 3.56 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 0.00 0.00 -0.10 0.00 0.00 0.56 0.00 0.00 126 K 8.63 4.12 0.00 1.59 1.63 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.35 7.81 127 W 7.94 4.55 0.00 3.31 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 0.00 128 S 8.86 4.52 0.00 4.08 3.97 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 0.00 129 D 8.52 4.53 0.00 2.71 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 0.00 130 E 8.28 3.96 0.00 2.08 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 0.00 2.43 2.49 0.00 131 A 7.67 4.34 1.49 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 0.00 0.00 132 R 7.70 4.26 0.00 1.85 1.82 0.00 3.30 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 133 L 7.28 4.15 0.00 1.82 1.58 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00