NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5764 8.1476 120.3481 55.5799 33.4031 175.2184 2 T 4.4116 8.8777 117.7365 60.2256 71.2049 173.9160 3 M 4.0394 8.6939 120.4960 58.8665 32.6026 178.9380 4 E 3.9452 8.1782 118.8564 59.4938 29.8575 178.6629 5 Q 4.0329 8.1931 118.1162 58.7526 28.7844 178.5839 6 F 4.1711 8.5519 121.9031 61.3658 39.6242 177.1756 7 L 3.7600 8.2230 118.7524 58.0765 41.3964 179.6704 8 T 3.9421 8.0065 115.8815 66.5871 68.2803 176.7972 9 S 4.0692 8.0795 116.2607 61.2647 62.8604 176.5185 10 L 3.6728 7.3846 122.3453 57.8007 41.2679 179.3188 11 D 4.3546 7.5856 117.3173 57.5004 40.6114 178.7746 12 M 4.0619 8.0643 119.3318 58.1102 31.8365 178.9482 13 I 3.6674 7.9965 120.5557 64.1684 37.2562 178.2183 14 R 4.1972 8.3097 121.1923 59.0248 29.7152 178.7674 15 S 4.4247 8.2725 112.8732 61.2301 62.9961 176.2557 16 G 3.7536 7.8767 108.4770 46.6700 0.0000 174.2169 17 C 4.8660 7.9990 117.2950 58.4997 40.6528 175.7032 18 A 4.2414 8.7364 124.1493 54.9470 17.9792 177.4414 19 P 4.4886 0.0000 0.0000 64.3198 31.3001 176.8096 20 K 4.1464 7.9039 117.9493 56.6275 32.4159 176.3069 21 F 4.8698 7.8776 116.9653 55.3557 42.7939 174.3888 22 K 4.3486 9.1514 125.0911 55.4251 31.7649 176.0001 23 L 4.8787 8.1769 125.0453 52.8214 45.9084 175.9296 24 K 4.5150 8.1898 119.4879 54.8991 33.6386 177.9363 25 T 3.8535 8.5695 115.2762 64.8201 68.6114 176.1164 26 E 3.8566 8.1172 119.8920 59.4352 29.4133 178.8933 27 D 4.0242 7.8221 119.4822 56.9935 40.9073 178.6109 28 L 3.9881 7.8265 118.9677 58.0086 41.1740 179.1592 29 D 4.3975 8.3646 118.9797 57.3411 40.6066 179.2095 30 R 3.9765 7.7775 118.1856 59.3321 30.0602 179.0431 31 L 3.7404 7.9923 118.8209 57.7279 41.4318 179.4996 32 R 4.8397 8.3341 120.0764 58.4971 29.6883 177.9581 33 V 4.4324 7.4707 109.1420 61.0669 31.5963 176.2185 34 G 4.2203 8.7965 107.4283 46.5790 0.0000 173.9345 35 D 4.8541 8.5868 120.6067 52.8082 40.6379 175.3686 36 F 4.5470 8.7984 123.5823 57.2256 39.8420 176.6708 37 N 4.8171 8.3913 120.5914 51.7386 37.7503 174.6048 38 F 4.8973 7.0269 111.4973 55.0165 40.9221 172.6563 39 P 4.1662 0.0000 0.0000 61.8775 31.2868 174.6701 40 P 4.2553 0.0000 0.0000 61.7746 32.2848 176.9639 41 S 4.2868 8.2651 115.8616 58.0861 64.9680 175.1480 42 Q 3.8755 8.4665 122.7739 59.6021 28.7558 178.2189 43 D 4.3834 8.0528 119.3648 57.1585 40.9331 178.3337 44 L 3.8876 8.1534 121.1985 58.2942 42.1944 178.8842 45 M 4.0387 7.9229 118.5771 58.8116 31.8563 178.2559 46 C 4.3605 8.3435 116.5776 59.7209 38.5100 175.4767 47 Y 3.3655 7.6669 122.1361 60.6695 37.7901 178.3167 48 T 4.2940 8.0082 110.6408 64.7081 68.7536 176.3613 49 K 4.0118 8.0375 122.2191 59.3850 32.2639 177.7758 50 C 4.2546 8.5032 119.1912 59.8423 38.2510 175.7495 51 V 3.3698 7.6571 119.5594 66.2378 31.1967 178.2593 52 S 4.2887 8.2756 114.8167 61.4117 62.6529 176.6366 53 L 4.0676 8.5104 122.3736 58.1176 41.1411 179.4214 54 M 4.0919 7.9841 117.4331 58.0169 31.9331 178.0172 55 A 4.2954 7.6724 119.2813 52.2446 18.9730 178.3681 56 G 3.8613 7.8095 105.1777 46.1643 0.0000 174.3373 57 T 4.3788 7.8819 108.2230 61.2527 69.4959 174.4657 58 V 5.3490 7.7724 113.8775 58.7001 35.6202 174.2899 59 N 4.9498 8.1778 118.7237 51.0388 39.6232 175.6965 60 K 3.9669 8.5384 116.5074 59.6313 32.1630 178.4290 61 K 4.1292 8.1991 116.3587 56.8365 32.2812 178.2060 62 G 4.0954 8.3934 107.5373 45.6317 0.0000 173.4017 63 E 4.0912 8.5108 120.3222 55.4657 30.1225 175.9545 64 F 4.9294 8.0452 125.8946 57.8278 40.4356 175.5509 65 N 4.5145 8.2247 126.6991 51.5542 38.0307 175.1312 66 A 3.4702 7.6533 128.1132 54.0843 18.8760 177.0874 67 P 4.1366 0.0000 0.0000 65.6537 31.4148 178.7667 68 K 3.9045 8.1929 118.0976 59.2397 31.8850 178.6772 69 A 4.0161 7.6990 120.1718 55.2200 18.4725 179.3080 70 L 4.0713 8.2137 117.4469 58.0056 41.5163 179.7262 71 A 4.0360 7.8480 119.3712 54.8250 18.5922 178.9341 72 Q 4.2821 8.1976 115.1959 56.8199 29.0282 177.8109 73 L 3.9324 7.5597 121.4359 57.7225 41.5824 177.6700 74 P 4.2723 0.0000 0.0000 64.7935 31.3234 177.1817 75 H 4.7659 8.2966 113.6941 55.8363 29.4990 175.2954 76 L 4.6412 7.7718 119.0492 55.0005 43.5176 176.7998 77 V 4.2747 7.6587 109.8472 58.2551 35.4201 173.6056 78 P 4.9701 0.0000 0.0000 61.2622 32.3873 175.4361 79 P 4.1709 0.0000 0.0000 65.9290 30.9823 178.4956 80 E 4.1295 8.0989 113.5585 58.3426 29.8635 177.5888 81 M 4.4361 7.7857 118.8989 55.2198 32.8006 177.3702 82 M 3.9673 7.8205 120.6594 58.4952 32.2114 178.2091 83 E 3.9165 8.0167 118.8370 59.3780 29.9569 178.1965 84 M 4.0255 7.9414 117.8108 58.8459 32.2696 178.2712 85 S 4.0806 8.1700 115.3200 61.2981 62.9187 176.5528 86 R 3.8600 8.0533 121.4593 59.5549 29.8350 178.8270 87 K 4.0179 8.0897 118.1715 59.3417 31.7305 179.6074 88 S 4.2235 7.9311 114.8216 61.5953 63.1667 176.4674 89 V 4.0205 7.9360 121.0268 66.2858 31.0750 177.8853 90 E 4.0688 8.2581 116.7641 59.4690 29.3907 179.0000 91 A 4.2320 8.2370 119.8014 54.3029 18.5509 177.4781 92 C 5.0043 8.1023 111.8652 55.6927 41.1766 176.1284 93 R 4.2383 8.3108 118.0236 58.6485 29.3507 176.9651 94 D 4.9153 7.9877 116.2714 54.1517 42.0237 177.6948 95 T 3.9201 7.9073 118.4185 67.0913 68.4072 175.9032 96 H 4.4904 8.3187 116.2121 58.4858 28.2594 177.2094 97 K 4.1346 7.6868 119.7695 58.1279 31.9767 178.0355 98 Q 4.0758 7.7906 117.0020 55.1418 29.2677 175.3128 99 F 4.8797 7.2626 117.7449 55.5970 42.6604 174.9539 100 K 4.2993 8.8019 121.7186 57.4234 33.1104 177.1982 101 E 4.6211 7.9200 119.0894 54.1987 32.0476 175.6470 102 S 4.5639 8.6339 122.2123 61.4020 62.3526 177.3330 103 C 4.3244 8.5094 118.2224 60.0314 37.8199 175.6242 104 E 3.7544 8.8194 121.1984 59.1675 29.2547 178.8556 105 R 3.9388 8.3695 118.6200 59.3863 30.0900 179.2374 106 V 3.4844 7.5606 117.7115 66.0141 31.5218 177.1790 107 Y 3.9137 8.0068 120.9534 60.2774 38.4822 178.4652 108 Q 3.5043 8.1903 118.9417 58.7591 28.5010 178.9386 109 T 3.2581 7.3125 116.2228 66.2680 68.4097 176.5320 110 A 3.2181 7.3337 122.8766 54.5875 17.9466 179.5968 111 K 2.4800 6.8229 117.3463 59.0925 32.4403 177.7771 112 C 4.0962 7.6691 118.9157 59.6589 44.2806 175.3952 113 F 4.3233 7.6772 119.7740 60.8533 38.3454 177.8928 114 S 2.8274 7.0598 111.8923 60.2077 62.6623 175.3983 115 E 4.2414 7.4162 120.3224 56.4297 30.3907 175.6076 116 N 5.0443 7.9202 115.9012 52.8740 39.2691 174.4927 117 A 4.6973 7.9285 115.9745 51.4721 20.7634 176.6426 118 D 4.8195 7.9743 117.8067 51.7338 39.5045 176.5834 119 G 3.9971 8.2056 118.4892 46.3384 0.0000 171.1666 120 Q 4.3195 8.0795 116.2999 56.1930 29.7088 176.1908 121 F 4.4462 8.0233 120.7250 59.0994 39.9476 173.5757 122 M 5.3367 7.6604 116.6175 53.2074 36.0333 174.4696 123 W 4.7230 8.7768 132.2193 54.5835 33.7717 174.0319 124 P 4.2517 0.0000 0.0000 63.0239 30.7041 176.1502 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 8.15 4.58 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 2 T 8.88 4.41 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 M 8.69 4.04 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 4 E 8.18 3.95 0.00 2.09 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 2.39 2.41 0.00 5 Q 8.19 4.03 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 6 F 8.55 4.17 0.00 3.06 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 7 L 8.22 3.76 0.00 1.72 1.67 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.01 3.94 4.35 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 1.18 0.00 0.00 9 S 8.08 4.07 0.00 3.95 4.18 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 10 L 7.38 3.67 0.00 1.65 1.55 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.59 4.35 0.00 2.70 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 12 M 8.06 4.06 0.00 2.01 2.06 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 2.59 2.87 0.00 13 I 8.00 3.67 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.72 0.00 0.00 14 R 8.31 4.20 0.00 2.04 2.12 0.00 3.16 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 15 S 8.27 4.42 0.00 4.07 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 0.00 16 G 7.88 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 0.00 0.00 0.00 17 C 8.00 4.87 0.00 3.14 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 18 A 8.74 4.24 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 19 P 0.00 4.49 0.00 2.19 2.21 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 2.02 2.11 0.00 20 K 7.90 4.15 0.00 1.14 1.19 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.33 7.81 21 F 7.88 4.87 0.00 3.09 2.95 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 22 K 9.15 4.35 0.00 1.75 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 23 L 8.18 4.88 0.00 1.57 1.41 0.70 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.19 4.52 0.00 1.89 1.87 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.38 7.81 25 T 8.57 3.85 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 1.18 0.00 0.00 26 E 8.12 3.86 0.00 2.06 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 0.00 2.23 2.22 0.00 27 D 7.82 4.02 0.00 2.91 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 28 L 7.83 3.99 0.00 1.78 1.67 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.36 4.40 0.00 2.85 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 30 R 7.78 3.98 0.00 2.04 2.26 0.00 2.70 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 31 L 7.99 3.74 0.00 1.94 1.66 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.33 4.84 0.00 2.09 2.22 0.00 3.18 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 33 V 7.47 4.43 2.20 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 0.80 0.00 0.00 1.12 0.00 0.00 34 G 8.80 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 0.00 0.00 0.00 35 D 8.59 4.85 0.00 2.72 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 36 F 8.80 4.55 0.00 2.77 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 37 N 8.39 4.82 0.00 2.77 2.88 0.00 0.00 6.87 7.06 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 38 F 7.03 4.90 0.00 3.11 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 39 P 0.00 4.17 0.00 2.05 2.01 0.00 3.82 0.00 0.00 3.80 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 40 P 0.00 4.26 0.00 1.54 1.19 0.00 3.40 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 41 S 8.27 4.29 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.47 3.88 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 43 D 8.05 4.38 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 44 L 8.15 3.89 0.00 1.69 1.69 0.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.92 4.04 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.82 0.00 46 C 8.34 4.36 0.00 2.89 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 47 Y 7.67 3.37 0.00 2.53 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 48 T 8.01 4.29 4.29 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 1.39 0.00 0.00 49 K 8.04 4.01 0.00 1.93 2.08 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.51 7.81 50 C 8.50 4.25 0.00 3.32 3.30 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 51 V 7.66 3.37 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 0.29 0.00 0.00 0.33 0.00 0.00 52 S 8.28 4.29 0.00 4.19 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.51 4.07 0.00 1.86 1.75 0.98 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 54 M 7.98 4.09 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 55 A 7.67 4.30 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 56 G 7.81 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 57 T 7.88 4.38 4.40 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 1.27 0.00 0.00 58 V 7.77 5.35 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 1.25 0.00 0.00 0.99 0.00 0.00 59 N 8.18 4.95 0.00 2.95 2.98 0.00 0.00 5.95 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.54 3.97 0.00 1.79 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.49 7.81 61 K 8.20 4.13 0.00 2.02 1.88 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.46 7.81 62 G 8.39 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.51 4.09 0.00 2.17 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 2.43 2.30 0.00 64 F 8.05 4.93 0.00 2.84 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 65 N 8.22 4.51 0.00 2.61 2.55 0.00 0.00 6.88 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.65 3.47 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 67 P 0.00 4.14 0.00 2.12 2.09 0.00 3.65 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 2.08 2.12 0.00 68 K 8.19 3.90 0.00 1.85 1.87 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 69 A 7.70 4.02 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 70 L 8.21 4.07 0.00 1.83 1.73 0.96 0.96 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 71 A 7.85 4.04 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 72 Q 8.20 4.28 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 73 L 7.56 3.93 0.00 1.68 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.27 0.00 1.80 2.02 0.00 3.68 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 1.95 2.12 0.00 75 H 8.30 4.77 0.00 3.19 3.33 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 76 L 7.77 4.64 0.00 1.62 1.73 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.66 4.27 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.88 0.00 0.00 78 P 0.00 4.97 0.00 2.30 2.14 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 79 P 0.00 4.17 0.00 2.13 2.12 0.00 3.55 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 80 E 8.10 4.13 0.00 2.08 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 0.00 2.18 2.38 0.00 81 M 7.79 4.44 0.00 1.84 1.92 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 2.48 2.41 0.00 82 M 7.82 3.97 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.80 0.00 83 E 8.02 3.92 0.00 2.06 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 0.00 2.36 2.41 0.00 84 M 7.94 4.03 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.60 0.00 85 S 8.17 4.08 0.00 3.98 3.79 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 86 R 8.05 3.86 0.00 1.97 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 87 K 8.09 4.02 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.71 7.81 88 S 7.93 4.22 0.00 3.90 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 89 V 7.94 4.02 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 1.33 0.00 0.00 0.94 0.00 0.00 90 E 8.26 4.07 0.00 2.16 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 0.00 2.56 2.50 0.00 91 A 8.24 4.23 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 92 C 8.10 5.00 0.00 3.16 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.31 4.24 0.00 2.17 2.49 0.00 3.25 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 94 D 7.99 4.92 0.00 2.72 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 95 T 7.91 3.92 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 96 H 8.32 4.49 0.00 3.50 3.63 0.00 5.65 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 97 K 7.69 4.13 0.00 1.80 1.83 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.09 7.81 98 Q 7.79 4.08 0.00 1.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.66 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 99 F 7.26 4.88 0.00 3.02 2.95 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 0.00 100 K 8.80 4.30 0.00 1.78 1.89 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.41 7.81 101 E 7.92 4.62 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 102 S 8.63 4.56 0.00 3.97 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 0.00 103 C 8.51 4.32 0.00 3.27 3.07 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 0.00 0.00 0.00 104 E 8.82 3.75 0.00 1.95 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 0.00 1.87 2.09 0.00 105 R 8.37 3.94 0.00 2.14 2.18 0.00 3.42 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 106 V 7.56 3.48 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 1.17 0.00 0.00 1.09 0.00 0.00 107 Y 8.01 3.91 0.00 3.02 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 0.00 108 Q 8.19 3.50 0.00 1.48 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 109 T 7.31 3.26 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 -0.02 0.00 0.00 110 A 7.33 3.22 0.28 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 0.00 0.00 111 K 6.82 2.48 0.00 0.82 1.38 0.00 1.80 0.00 0.00 1.52 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.24 1.08 7.81 112 C 7.67 4.10 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.68 4.32 0.00 3.16 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 0.00 114 S 7.06 2.83 0.00 3.27 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 0.00 115 E 7.42 4.24 0.00 1.96 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 0.00 2.17 2.24 0.00 116 N 7.92 5.04 0.00 2.67 2.75 0.00 0.00 6.65 6.70 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 0.00 117 A 7.93 4.70 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 0.00 118 D 7.97 4.82 0.00 2.78 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 0.00 119 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.08 4.32 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 121 F 8.02 4.45 0.00 3.13 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 0.00 122 M 7.66 5.34 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 123 W 8.78 4.72 0.00 3.80 3.22 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 0.00 124 P 0.00 4.25 0.00 1.66 1.82 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00