NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2515 8.3049 118.1950 55.5864 33.0153 175.8972 2 L 3.3074 8.0491 113.9625 55.0280 38.3555 173.7094 3 T 3.7569 8.3783 114.6188 63.9903 69.9678 174.7497 4 D 4.5212 7.6368 118.6006 50.6248 42.6612 173.5103 5 P 4.2803 0.0000 0.0000 66.2254 31.5773 177.3080 6 I 3.5711 8.1426 116.7628 64.8139 37.0701 177.6760 7 A 4.1305 8.7520 121.3972 55.5730 18.2671 179.4205 8 D 4.1887 7.7677 116.4834 57.6576 40.8977 178.1017 9 M 3.9973 8.1795 119.0186 58.6115 32.3048 178.0242 10 L 3.9377 8.3665 119.4276 58.0715 41.7857 179.6974 11 T 3.7568 7.6537 115.2293 66.8061 68.0500 176.9359 12 R 4.1519 8.4271 119.7256 58.6812 29.9770 179.0178 13 I 3.6808 7.1888 118.9664 63.9411 37.4796 177.7880 14 R 3.7371 7.6891 119.3880 59.4899 29.7720 178.1298 15 N 4.2209 8.4898 116.2283 56.1104 38.8608 176.7099 16 A 4.2657 7.4735 121.7660 54.5205 19.1376 179.5530 17 T 4.3421 7.7719 107.0951 64.3641 68.8988 176.2965 18 R 3.8134 7.6262 118.8967 57.6711 30.0873 177.2397 19 V 4.2957 7.3982 111.2181 60.5678 32.8010 175.2555 20 Y 2.8661 7.1034 114.7891 57.9924 35.9982 171.5661 21 K 4.0002 7.3311 119.4109 56.9891 33.1065 176.4153 22 E 4.4155 8.9021 124.9951 58.9842 30.4909 176.1532 23 S 4.9297 7.5223 110.0098 57.4290 66.9293 172.2044 24 T 4.3330 8.3180 111.1768 61.4193 70.7842 172.3700 25 D 5.7115 8.6572 127.6778 52.8761 43.2035 176.0554 26 V 4.3624 8.2089 115.8573 60.3046 34.2452 170.6514 27 P 4.2724 0.0000 0.0000 62.8966 31.8896 175.3156 28 A 4.6088 8.1442 124.9209 51.3480 20.3829 177.3598 29 S 4.6810 8.1004 115.1906 55.8271 67.0006 175.4333 30 R 3.8803 8.6643 124.4067 59.6337 30.1613 178.2614 31 F 4.5159 8.2553 119.8023 61.3261 39.4333 176.9790 32 K 3.5291 8.1886 117.9358 59.5547 31.9257 178.7678 33 E 3.4818 7.9269 119.3333 59.2779 29.0249 179.1414 34 E 3.8377 7.5563 117.7374 59.3792 29.9068 178.4476 35 I 3.6348 7.3435 119.1460 64.6169 37.0826 177.7002 36 L 3.8224 7.5872 119.1845 58.3412 41.6432 179.6933 37 R 4.2119 7.6934 118.0105 59.7912 29.9296 178.3106 38 I 3.8367 8.0748 119.5549 64.2494 37.4341 177.9286 39 L 4.2169 8.0927 119.0839 58.2422 41.3388 179.1276 40 A 4.1950 8.5595 120.7161 55.4745 18.2025 179.6884 41 R 3.8628 7.9457 115.6532 58.7162 30.2598 177.6293 42 E 4.3567 8.4759 116.5743 56.0688 29.7046 176.8490 43 G 3.8875 8.2796 109.5195 45.2239 0.0000 175.8415 44 F 4.0950 7.5079 117.7667 59.7540 39.0705 175.0465 45 I 4.7273 7.0725 111.7952 59.1262 40.3868 175.2459 46 K 4.0979 8.5077 119.7291 56.6250 32.4334 176.3544 47 G 4.1608 7.5065 105.0225 43.4268 0.0000 171.5382 48 Y 6.1370 7.6267 117.4749 54.4654 41.7050 174.2613 49 E 4.8850 8.5571 112.5681 55.5997 32.0567 175.9267 50 R 4.5809 9.0400 122.3024 57.0433 30.8029 176.1269 51 V 4.7527 8.9127 117.6663 60.0046 36.4370 173.5456 52 D 4.8550 8.4678 118.6935 53.5194 45.0383 175.1634 53 V 4.3855 8.4785 124.2592 62.1639 33.7045 174.8006 54 D 4.1998 9.6810 127.8432 55.5272 38.0173 175.8165 55 G 4.4348 8.5507 107.3187 45.7207 0.0000 174.5301 56 K 4.2263 7.7210 120.7658 54.2373 32.7275 174.2498 57 P 4.5309 0.0000 0.0000 64.1589 31.3829 175.0261 58 Y 5.1224 8.6533 118.9076 56.8795 43.3906 173.4573 59 L 5.2183 9.2160 120.9939 53.1079 45.0595 175.7031 60 R 4.6621 8.8839 123.8443 54.7097 32.1218 174.7571 61 V 4.6376 9.0171 128.0920 62.2479 33.3713 174.1478 62 Y 4.6356 9.3510 126.5847 56.6836 39.1673 175.7262 63 L 4.5320 8.4048 125.0072 54.2800 43.0211 176.3618 64 K 4.5019 7.6609 120.2281 55.1917 35.3971 174.4643 65 Y 4.9761 8.3729 122.5189 56.5621 43.1954 174.2557 66 G 4.4436 8.8714 108.7708 44.2692 0.0000 172.0345 67 P 4.5554 0.0000 0.0000 62.5910 31.7904 176.1093 68 R 4.0917 8.5541 121.7275 57.1870 30.9048 175.2214 69 R 4.7982 8.3594 118.8170 54.4584 34.7111 174.9942 70 Q 4.3131 8.5893 119.9395 56.3237 30.2567 175.6412 71 G 3.7638 8.6897 107.0344 43.8369 0.0000 171.2979 72 P 4.3793 0.0000 0.0000 62.4555 32.0413 176.0095 73 D 4.2936 8.4647 117.0970 54.8386 38.6009 171.3446 74 P 4.4045 0.0000 0.0000 63.7233 32.3362 177.2661 75 R 3.2870 7.5885 117.0959 53.4935 29.7397 173.9793 76 P 4.4647 0.0000 0.0000 63.0842 31.9860 175.2016 77 E 4.4925 8.6504 120.1237 55.8327 31.1217 175.4508 78 Q 4.7734 8.5999 122.9397 55.7402 29.5189 176.1878 79 V 3.9299 8.4996 120.7566 64.4798 32.2039 176.3053 80 I 4.3642 7.3002 120.8925 59.8299 36.1071 174.6173 81 H 4.3379 8.5491 122.1333 58.3546 29.4367 175.7489 82 H 4.4691 8.1796 119.1203 54.4875 33.3343 172.5234 83 I 4.6873 7.5882 125.1444 59.5425 40.4504 173.8495 84 R 4.5279 8.2836 129.3380 54.5493 33.9078 174.0869 85 R 4.2898 8.5418 126.7396 56.5466 30.3728 175.7175 86 I 3.9592 7.8348 127.4969 63.3446 37.8403 175.7219 87 S 4.4510 7.5508 114.8176 57.3240 62.8576 173.7119 88 K 4.7603 8.2415 125.3804 53.5218 35.7321 175.6121 89 P 4.3283 0.0000 0.0000 65.6045 31.3290 178.3269 90 G 3.5703 8.1201 107.6645 47.8143 0.0000 173.8353 91 R 4.3939 7.7070 124.0454 53.7034 31.8820 174.9244 92 R 4.3090 8.4466 124.3364 55.9276 31.2572 176.1923 93 V 4.3798 7.9912 118.9014 61.3709 34.8146 173.8377 94 Y 5.2162 8.5639 124.0276 56.3166 41.4994 175.1987 95 V 4.5183 8.8846 116.3819 59.4001 35.9095 175.8930 96 G 3.9979 9.1060 114.1499 44.7626 0.0000 174.7740 97 V 3.6421 8.6328 120.9941 64.5851 31.2418 178.8107 98 K 4.3150 7.9744 118.1984 59.2730 32.8233 177.9444 99 E 4.1319 8.8437 119.0432 58.8772 29.7016 177.1871 100 I 3.4507 6.9543 118.1345 59.7233 37.2942 173.7374 101 P 4.5817 0.0000 0.0000 62.7478 32.1551 176.8541 102 R 4.5662 7.8946 117.3563 53.4295 30.1777 174.9333 103 V 3.4045 7.9191 119.2387 64.7285 32.8133 175.0997 104 R 3.2101 8.6569 123.5996 60.5700 27.9455 177.0023 105 R 3.3560 7.5445 121.5833 57.6115 28.8026 174.9774 106 G 4.3119 7.8246 112.9873 46.4996 0.0000 175.4196 107 L 4.0937 8.4233 119.3753 57.1697 41.7658 178.1368 108 G 4.1154 7.7411 105.7223 44.7784 0.0000 172.9404 109 I 4.3121 8.4231 122.2919 60.5404 40.2179 175.0348 110 A 5.0783 8.8621 126.6693 50.2613 20.6614 175.3745 111 I 4.2037 8.1856 121.7117 62.4137 39.0783 174.7880 112 L 4.7244 8.6699 122.9949 54.9596 44.2215 173.7500 113 S 4.9902 9.2421 118.7153 57.9551 64.0302 172.9076 114 T 5.1406 8.7264 116.2471 59.4794 72.4382 174.7991 115 S 4.3822 8.9587 114.9668 59.8222 63.4575 174.3798 116 K 4.5043 7.5058 119.7614 55.5950 32.2891 176.1857 117 G 3.9053 7.6112 109.7308 44.8114 0.0000 170.7657 118 V 4.5673 8.2116 118.4084 61.8782 32.6906 175.8114 119 L 5.0588 8.6087 126.3227 53.5769 46.9047 175.0727 120 T 4.5765 8.1976 109.6566 60.0807 71.5101 174.2228 121 D 4.2859 8.5902 118.9447 56.7617 38.5401 179.0144 122 R 3.8986 7.8143 121.0525 58.8799 30.8617 178.0195 123 E 4.0250 8.0589 117.7196 59.8462 29.5682 179.2554 124 A 4.1777 8.3354 120.1144 54.3474 18.1099 179.3715 125 R 3.9521 8.1718 117.7456 58.8195 29.9482 178.1760 126 K 4.0940 7.9231 119.0897 58.3806 32.3787 177.1804 127 L 4.3554 7.8459 116.2089 53.7914 42.2023 176.0553 128 G 3.9405 7.5505 105.5242 46.8251 0.0000 173.8179 129 V 4.6228 8.0016 109.9894 59.3452 36.1598 175.7090 130 G 4.2013 8.3751 108.4114 44.8759 0.0000 171.6817 131 G 4.8134 7.7786 102.5237 46.7255 0.0000 171.8151 132 E 4.5136 8.4688 121.8788 55.9630 31.1864 176.8046 133 L 4.5318 8.3177 129.2538 54.8960 43.3015 176.9776 134 I 4.0068 8.3311 127.4800 63.4286 38.5007 174.9257 135 C 5.3517 7.4838 112.9841 58.9137 33.5085 172.5549 136 E 4.8595 7.7591 113.4248 55.9815 33.2613 174.5504 137 V 4.5605 8.8474 120.9639 61.1328 35.6073 174.9109 138 W 5.0452 8.4434 123.6330 57.1451 28.1943 174.2638 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 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 L 8.05 3.31 0.00 1.89 1.72 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.38 3.76 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 4 D 7.64 4.52 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.28 0.00 2.25 2.16 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 6 I 8.14 3.57 1.93 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.43 0.90 0.00 0.00 7 A 8.75 4.13 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 8 D 7.77 4.19 0.00 2.76 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 9 M 8.18 4.00 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 10 L 8.37 3.94 0.00 1.75 1.60 0.86 0.62 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 11 T 7.65 3.76 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 1.17 0.00 0.00 12 R 8.43 4.15 0.00 1.75 1.94 0.00 3.09 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 13 I 7.19 3.68 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.77 0.83 0.00 0.00 14 R 7.69 3.74 0.00 1.80 1.94 0.00 3.03 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 15 N 8.49 4.22 0.00 2.63 2.85 0.00 0.00 7.11 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 16 A 7.47 4.27 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 17 T 7.77 4.34 4.71 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 1.22 0.00 0.00 18 R 7.63 3.81 0.00 1.73 1.90 0.00 3.01 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 19 V 7.40 4.30 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 0.72 0.00 0.00 0.97 0.00 0.00 20 Y 7.10 2.87 0.00 2.91 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.33 4.00 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.39 7.81 22 E 8.90 4.42 0.00 2.16 1.94 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 2.40 2.40 0.00 23 S 7.52 4.93 0.00 3.28 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 24 T 8.32 4.33 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 1.20 0.00 0.00 25 D 8.66 5.71 0.00 2.24 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 0.00 0.00 0.00 26 V 8.21 4.36 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 0.86 0.00 0.00 0.96 0.00 0.00 27 P 0.00 4.27 0.00 2.12 2.08 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.48 0.00 28 A 8.14 4.61 1.26 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 29 S 8.10 4.68 0.00 4.06 3.94 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 30 R 8.66 3.88 0.00 1.86 2.07 0.00 3.28 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 31 F 8.26 4.52 0.00 3.04 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 32 K 8.19 3.53 0.00 1.89 1.71 0.00 1.88 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.47 7.81 33 E 7.93 3.48 0.00 2.19 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 2.18 2.27 0.00 34 E 7.56 3.84 0.00 2.09 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 2.34 2.53 0.00 35 I 7.34 3.63 1.65 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.77 0.00 0.00 36 L 7.59 3.82 0.00 1.14 1.36 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.69 4.21 0.00 2.10 2.17 0.00 3.14 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 38 I 8.07 3.84 2.05 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 1.54 0.51 0.97 0.00 0.00 39 L 8.09 4.22 0.00 1.72 1.90 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.56 4.20 1.52 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 0.00 0.00 41 R 7.95 3.86 0.00 1.88 2.22 0.00 3.28 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 42 E 8.48 4.36 0.00 2.20 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 2.45 2.55 0.00 43 G 8.28 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 44 F 7.51 4.09 0.00 3.25 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 45 I 7.07 4.73 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.95 0.00 0.00 46 K 8.51 4.10 0.00 1.88 1.89 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.38 7.81 47 G 7.51 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 0.00 0.00 0.00 0.00 48 Y 7.63 6.14 0.00 2.98 2.99 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 49 E 8.56 4.88 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 50 R 9.04 4.58 0.00 1.78 1.99 0.00 3.20 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 51 V 8.91 4.75 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 0.86 0.00 0.00 1.14 0.00 0.00 52 D 8.47 4.86 0.00 2.79 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.48 4.39 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 54 D 9.68 4.20 0.00 2.94 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 55 G 8.55 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 0.00 0.00 0.00 0.00 56 K 7.72 4.23 0.00 1.86 1.58 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.63 7.81 57 P 0.00 4.53 0.00 1.99 2.04 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 58 Y 8.65 5.12 0.00 2.96 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 59 L 9.22 5.22 0.00 1.60 1.62 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.88 4.66 0.00 1.89 1.89 0.00 3.05 0.00 0.00 2.79 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.22 0.00 61 V 9.02 4.64 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 0.92 0.00 0.00 0.95 0.00 0.00 62 Y 9.35 4.64 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 63 L 8.40 4.53 0.00 1.67 1.06 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.66 4.50 0.00 1.62 1.50 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.43 7.81 65 Y 8.37 4.98 0.00 3.06 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 66 G 8.87 4.44 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 0.00 67 P 0.00 4.56 0.00 2.09 2.09 0.00 3.83 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 2.01 2.00 0.00 68 R 8.55 4.09 0.00 1.80 1.88 0.00 3.12 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 69 R 8.36 4.80 0.00 1.67 1.73 0.00 3.18 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 70 Q 8.59 4.31 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.54 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 71 G 8.69 3.76 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 0.00 72 P 0.00 4.38 0.00 2.05 1.99 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 73 D 8.46 4.29 0.00 2.75 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 74 P 0.00 4.40 0.00 2.18 2.29 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 75 R 7.59 3.29 0.00 1.82 1.41 0.00 3.49 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 76 P 0.00 4.46 0.00 2.14 2.07 0.00 2.54 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 77 E 8.65 4.49 0.00 2.14 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 2.43 2.44 0.00 78 Q 8.60 4.77 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 79 V 8.50 3.93 2.24 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 1.00 0.00 0.00 0.96 0.00 0.00 80 I 7.30 4.36 1.79 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 1.44 0.84 0.63 0.00 0.00 81 H 8.55 4.34 0.00 3.12 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.18 4.47 0.00 1.92 1.31 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.59 4.69 1.57 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.62 0.70 0.00 0.00 84 R 8.28 4.53 0.00 1.63 1.54 0.00 3.14 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 85 R 8.54 4.29 0.00 1.77 1.79 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 86 I 7.83 3.96 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.94 0.89 0.00 0.00 87 S 7.55 4.45 0.00 3.90 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 88 K 8.24 4.76 0.00 1.76 1.61 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 89 P 0.00 4.33 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 90 G 8.12 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.39 0.00 1.80 1.75 0.00 3.25 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 92 R 8.45 4.31 0.00 1.83 1.68 0.00 3.55 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 93 V 7.99 4.38 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 0.92 0.00 0.00 0.87 0.00 0.00 94 Y 8.56 5.22 0.00 2.91 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 95 V 8.88 4.52 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 0.91 0.00 0.00 1.02 0.00 0.00 96 G 9.11 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 97 V 8.63 3.64 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 0.84 0.00 0.00 0.95 0.00 0.00 98 K 7.97 4.31 0.00 1.90 1.99 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 99 E 8.84 4.13 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 100 I 6.95 3.45 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.93 0.00 0.00 101 P 0.00 4.58 0.00 2.06 2.01 0.00 3.64 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 2.04 2.12 0.00 102 R 7.89 4.57 0.00 1.70 1.81 0.00 3.28 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 103 V 7.92 3.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.07 0.00 0.00 104 R 8.66 3.21 0.00 1.57 1.74 0.00 2.64 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.32 0.00 105 R 7.54 3.36 0.00 1.78 2.15 0.00 3.28 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 106 G 7.82 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 0.00 0.00 0.00 0.00 107 L 8.42 4.09 0.00 1.63 1.77 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.74 4.12 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 0.00 0.00 0.00 109 I 8.42 4.31 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 1.38 0.00 0.00 110 A 8.86 5.08 1.28 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 I 8.19 4.20 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.94 0.00 0.00 112 L 8.67 4.72 0.00 1.89 1.73 0.95 0.65 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 0.00 113 S 9.24 4.99 0.00 4.12 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 0.00 114 T 8.73 5.14 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 1.30 0.00 0.00 115 S 8.96 4.38 0.00 4.01 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 0.00 116 K 7.51 4.50 0.00 1.76 1.80 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.35 7.81 117 G 7.61 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 0.00 118 V 8.21 4.57 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 0.86 0.00 0.00 1.05 0.00 0.00 119 L 8.61 5.06 0.00 1.65 1.54 0.99 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.20 4.58 4.30 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 1.31 0.00 0.00 121 D 8.59 4.29 0.00 2.96 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 0.00 122 R 7.81 3.90 0.00 1.82 2.08 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 123 E 8.06 4.03 0.00 2.20 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 2.35 2.36 0.00 124 A 8.34 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.17 3.95 0.00 2.09 2.04 0.00 3.10 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 K 7.92 4.09 0.00 1.86 2.18 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 127 L 7.85 4.36 0.00 1.68 1.70 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.55 3.94 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 0.00 0.00 0.00 129 V 8.00 4.62 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 0.73 0.00 0.00 0.99 0.00 0.00 130 G 8.38 4.20 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 0.00 131 G 7.78 4.81 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 0.00 0.00 0.00 132 E 8.47 4.51 0.00 2.13 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 2.22 1.97 0.00 133 L 8.32 4.53 0.00 1.75 1.46 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.33 4.01 1.87 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.92 0.00 0.00 135 C 7.48 5.35 0.00 3.00 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 0.00 136 E 7.76 4.86 0.00 2.21 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 0.00 2.23 2.29 0.00 137 V 8.85 4.56 1.68 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 -0.54 0.00 0.00 0.66 0.00 0.00 138 W 8.44 5.05 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