NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0028 8.3393 109.7368 45.5369 0.0000 172.5001 2 S 4.5221 8.2526 112.3056 56.3239 65.7300 171.6567 3 S 4.6575 8.7902 118.0307 56.8608 68.0091 174.3653 4 G 4.0658 8.5466 120.4169 45.0861 0.0000 172.7311 5 S 4.2232 7.5593 119.1159 59.5140 64.3244 175.1833 6 S 4.6048 8.2593 116.7524 56.9679 62.4407 174.5650 7 G 3.5326 7.6681 106.7562 49.5000 0.0000 173.1862 8 S 4.5429 8.0871 115.6656 55.8787 64.9171 172.6372 9 P 4.2161 0.0000 0.0000 62.1810 31.7390 175.7912 10 N 4.1862 8.8851 119.2592 52.9462 39.3269 173.3929 11 P 4.5836 0.0000 0.0000 61.8861 33.5860 175.7469 12 P 4.3739 0.0000 0.0000 65.5465 31.3865 178.6996 13 K 4.0045 7.9697 118.4369 58.9254 32.1956 178.6461 14 L 4.0800 7.7868 120.2127 58.1369 42.3263 178.3535 15 T 3.9137 7.8665 115.6251 66.7552 68.4950 176.0254 16 K 3.8039 7.7313 121.1312 59.6665 32.3016 178.0129 17 Q 3.9139 7.5554 118.5653 59.7237 28.8098 178.5159 18 M 4.0393 7.8567 118.7413 58.6642 32.0757 178.2381 19 N 4.2575 8.2077 115.9959 56.6408 38.7970 176.8003 20 A 3.9176 8.3443 121.8080 56.4662 18.3580 179.0051 21 I 3.4078 7.8796 115.7213 65.3663 37.1575 178.1958 22 I 3.6701 8.2282 119.3473 65.2076 37.0937 178.0163 23 D 4.4479 8.8988 118.5107 57.8967 41.1779 179.4151 24 T 4.0223 7.9169 116.0894 66.1468 68.4494 177.2480 25 V 3.5530 7.7919 119.4040 66.2633 31.7262 177.9775 26 I 3.5568 7.8434 118.3200 64.1049 36.9004 177.7483 27 N 4.6376 7.6930 115.9765 54.2810 38.9191 175.3096 28 Y 4.0830 7.7176 122.0665 57.6752 39.3188 175.4707 29 K 4.6249 7.5645 124.5952 55.1007 35.7207 174.2445 30 D 4.5344 8.5112 117.4329 56.0309 42.9931 176.6905 31 S 4.4409 7.6933 110.6827 57.7667 63.8898 173.1528 32 S 4.4531 8.2130 115.7147 58.3891 62.0938 174.1165 33 G 3.6400 8.1717 112.5302 46.0821 0.0000 173.9578 34 R 3.9579 7.7808 120.1603 55.7049 29.0879 175.6124 35 Q 4.3021 8.3921 126.4514 56.0161 30.1624 175.6519 36 L 4.6749 8.5308 119.6364 56.5443 43.3355 179.2056 37 S 4.7321 8.3818 113.3206 61.3745 62.3694 176.1684 38 E 4.0364 8.4406 122.2056 59.7936 29.0868 178.9035 39 V 3.9652 7.5600 107.9634 61.9162 31.3367 176.5763 40 F 4.8301 8.4364 117.4957 57.3299 39.2847 177.0191 41 I 4.2278 7.3410 122.0005 62.3138 37.5619 175.7572 42 Q 4.7288 7.6590 120.3826 54.2416 31.3007 175.1220 43 L 4.6848 7.9797 119.5401 51.8290 44.6302 174.8327 44 P 4.3129 0.0000 0.0000 62.3893 31.5440 176.2276 45 S 4.4463 8.4379 115.2483 58.3305 62.8814 174.9402 46 R 4.0710 8.3084 120.5469 58.3021 29.4574 179.2058 47 K 3.9626 7.8447 118.5990 59.6413 32.5368 178.0090 48 E 4.2323 8.2193 116.8830 58.1055 30.3313 177.8307 49 L 4.7597 7.6507 123.0336 52.2435 42.4812 175.1106 50 P 4.3999 0.0000 0.0000 64.7267 32.3303 179.2394 51 E 3.9769 8.5343 118.1394 59.4775 29.0230 178.2160 52 Y 3.7044 7.5836 119.8198 60.8613 38.4886 177.8752 53 Y 3.8883 8.3572 115.3089 59.7356 38.0872 177.6470 54 E 4.1329 8.3230 120.3224 59.0944 29.7670 178.6834 55 L 4.1538 7.5844 117.7279 57.6759 41.4608 177.5738 56 I 3.6141 6.6942 120.4183 60.7755 37.2652 176.2497 57 R 4.0367 8.3224 125.2350 58.4501 30.4055 177.8420 58 K 4.4852 7.3131 120.2083 53.5440 32.4976 174.3308 59 P 4.4461 0.0000 0.0000 62.3148 29.1780 177.2107 60 V 4.1692 7.5672 126.3083 61.1632 33.2103 175.2872 61 D 5.0016 8.0480 119.0994 51.2474 42.5395 176.2425 62 F 4.6159 8.2109 116.2491 60.5985 39.0854 178.3272 63 K 4.0823 8.2734 117.6529 59.3272 31.8217 179.4160 64 K 4.0239 8.5437 118.8163 59.4909 32.2938 179.2221 65 I 4.0786 7.4004 120.1587 63.9065 36.9522 178.6670 66 K 4.2114 8.3207 119.1605 59.3812 31.7556 179.0014 67 E 3.9831 7.8877 118.2120 59.2109 29.6056 179.0102 68 R 3.8501 7.8876 118.2040 59.1430 29.6213 178.7422 69 I 3.7701 7.3581 118.6172 64.3775 36.9461 178.1506 70 R 4.1778 7.6893 114.2332 57.5853 29.8222 177.2847 71 N 4.7450 8.0267 117.1842 52.1672 38.6031 174.4488 72 H 4.4082 7.4356 114.5225 56.7392 26.8117 176.8827 73 K 4.0420 7.1093 117.8590 58.9673 32.4297 177.2530 74 Y 4.4521 7.3647 114.3825 59.1799 38.5055 178.0333 75 R 4.0726 8.8879 123.6561 58.3810 30.6593 176.2728 76 S 4.7298 8.2859 110.3549 55.1330 66.2069 174.0929 77 L 4.0309 8.8480 124.1864 58.2761 41.5411 178.8815 78 G 3.9543 8.1389 105.0479 48.2739 0.0000 174.6420 79 D 4.3815 7.6771 121.5295 57.1124 40.8105 179.0721 80 L 3.1914 7.5894 120.3821 57.9300 41.8972 178.6409 81 E 3.6880 8.2059 119.1513 59.0862 29.3508 178.6469 82 K 3.7792 7.3753 117.4031 59.9493 32.4544 178.6009 83 D 4.3949 7.9583 118.3049 56.9535 40.7659 178.6052 84 V 3.3048 7.8156 118.7858 66.6194 31.4605 178.2509 85 M 3.8466 7.9069 118.2327 57.9357 31.5944 178.6855 86 L 3.8070 8.1521 120.9342 58.1823 42.1687 178.5763 87 L 3.7829 7.8011 118.2551 58.3671 41.9545 178.5348 88 C 4.0626 7.5827 116.2420 62.7720 28.2836 174.9963 89 H 3.9385 8.2388 119.9261 59.7773 29.4808 176.4960 90 N 4.2208 8.4399 117.8621 56.9660 38.3760 176.7115 91 A 4.1790 8.3166 121.9145 55.0100 18.3681 179.4349 92 Q 4.2539 8.0859 116.0308 59.4263 28.8742 179.7408 93 T 4.1828 7.7191 115.9398 65.9663 68.7217 176.4244 94 F 4.6614 7.9024 121.0316 60.0002 40.1162 175.6281 95 N 4.3891 8.2844 115.8677 52.5418 38.8849 175.1510 96 L 4.0310 8.3281 124.5817 54.9543 42.9673 176.0593 97 E 2.7248 8.4752 121.5036 55.8151 29.9880 177.0481 98 G 4.1198 6.7072 105.0871 46.2490 0.0000 174.2313 99 S 4.6282 7.3588 115.7387 56.2705 65.4229 173.3746 100 Q 4.0049 8.3673 121.8198 59.6252 28.6512 178.1911 101 I 3.9253 7.7215 118.7050 64.7159 37.5143 176.5715 102 Y 4.0120 8.4334 120.4266 59.7820 38.4613 177.7072 103 E 3.9968 8.6603 118.9452 59.8191 29.9111 179.1901 104 D 4.5061 7.7294 118.8512 57.7256 40.8690 179.1168 105 S 3.8815 8.1210 114.2407 61.9643 62.6216 176.7139 106 I 3.5549 7.5205 123.1125 63.7638 36.8272 178.2379 107 V 3.4389 7.7904 118.9307 65.8873 31.4339 177.8272 108 L 3.6709 8.0340 118.7998 58.0921 41.6070 179.9158 109 Q 3.8887 7.6954 117.6350 59.1514 28.6205 178.5859 110 S 4.0795 7.7149 113.7307 61.5584 62.1628 176.5024 111 V 3.4942 7.6494 120.8990 65.5310 31.2556 177.5734 112 F 4.0845 8.0757 120.4966 61.3210 38.7653 176.9069 113 K 3.6640 8.0316 117.4420 59.6258 31.9170 178.8345 114 S 3.8860 7.7175 112.8638 61.5682 62.0032 175.8108 115 A 4.0455 7.8726 121.9371 55.8387 18.1032 179.4010 116 R 3.7863 6.9905 114.1144 60.1270 30.1965 178.0061 117 Q 4.4266 7.2538 116.0186 56.7796 29.2896 176.0468 118 S 4.2023 8.3857 126.3502 59.0335 60.8272 173.6966 119 G 3.9824 7.8987 119.2198 44.1203 0.0000 169.5960 120 P 4.2022 0.0000 0.0000 64.9580 31.6403 175.6586 121 S 3.9549 7.1877 114.7377 59.1123 62.1997 174.0578 122 S 4.4760 8.2948 120.3953 55.6156 63.0989 174.0891 123 G 3.8570 8.6769 115.4331 45.8839 0.0000 171.6432 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 G 8.34 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 2 S 8.25 4.52 0.00 4.01 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 3 S 8.79 4.66 0.00 3.82 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 4 G 8.55 4.07 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 0.00 0.00 0.00 5 S 7.56 4.22 0.00 3.87 3.84 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 6 S 8.26 4.60 0.00 3.97 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 7 G 7.67 3.53 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 0.00 0.00 0.00 8 S 8.09 4.54 0.00 3.86 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 9 P 0.00 4.22 0.00 2.06 1.64 0.00 3.77 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 1.94 1.91 0.00 10 N 8.89 4.19 0.00 2.81 2.90 0.00 0.00 7.16 8.33 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 11 P 0.00 4.58 0.00 2.27 2.20 0.00 3.72 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 2.09 2.03 0.00 12 P 0.00 4.37 0.00 2.29 2.36 0.00 3.70 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 2.08 2.06 0.00 13 K 7.97 4.00 0.00 1.79 1.89 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.44 7.81 14 L 7.79 4.08 0.00 1.73 1.67 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.87 3.91 4.27 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 1.23 0.00 0.00 16 K 7.73 3.80 0.00 1.94 1.83 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 Q 7.56 3.91 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 18 M 7.86 4.04 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 19 N 8.21 4.26 0.00 2.93 2.89 0.00 0.00 7.10 7.72 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 20 A 8.34 3.92 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 21 I 7.88 3.41 2.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.57 0.00 0.00 22 I 8.23 3.67 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.86 0.00 0.00 23 D 8.90 4.45 0.00 2.77 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 24 T 7.92 4.02 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 V 7.79 3.55 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 0.76 0.00 0.00 1.11 0.00 0.00 26 I 7.84 3.56 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.01 0.73 0.00 0.00 27 N 7.69 4.64 0.00 2.79 2.87 0.00 0.00 6.91 7.16 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 28 Y 7.72 4.08 0.00 3.03 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 29 K 7.56 4.62 0.00 1.74 1.63 0.00 1.26 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.17 7.81 30 D 8.51 4.53 0.00 2.79 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 31 S 7.69 4.44 0.00 3.89 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 32 S 8.21 4.45 0.00 3.90 3.84 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 33 G 8.17 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 0.00 0.00 0.00 34 R 7.78 3.96 0.00 1.80 1.92 0.00 3.26 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 35 Q 8.39 4.30 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 36 L 8.53 4.67 0.00 2.02 2.13 1.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.38 4.73 0.00 4.04 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 38 E 8.44 4.04 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 2.45 2.48 0.00 39 V 7.56 3.97 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 0.61 0.00 0.00 0.06 0.00 0.00 40 F 8.44 4.83 0.00 3.50 2.87 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 41 I 7.34 4.23 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.99 0.00 0.00 42 Q 7.66 4.73 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 43 L 7.98 4.68 0.00 1.61 1.47 1.02 0.71 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 44 P 0.00 4.31 0.00 2.10 1.92 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 45 S 8.44 4.45 0.00 3.90 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 46 R 8.31 4.07 0.00 1.74 1.74 0.00 2.42 0.00 0.00 2.69 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 47 K 7.84 3.96 0.00 1.74 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 48 E 8.22 4.23 0.00 2.01 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 0.00 2.34 2.40 0.00 49 L 7.65 4.76 0.00 1.74 1.53 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.40 0.00 2.32 2.49 0.00 4.07 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 51 E 8.53 3.98 0.00 2.33 2.39 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 2.50 2.57 0.00 52 Y 7.58 3.70 0.00 2.47 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 53 Y 8.36 3.89 0.00 3.00 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 54 E 8.32 4.13 0.00 2.07 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 0.00 2.62 2.50 0.00 55 L 7.58 4.15 0.00 1.80 1.82 1.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 56 I 6.69 3.61 1.10 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.19 0.60 0.00 0.00 57 R 8.32 4.04 0.00 1.73 1.91 0.00 3.28 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 58 K 7.31 4.49 0.00 1.64 1.68 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.34 7.81 59 P 0.00 4.45 0.00 2.10 1.36 0.00 3.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.54 0.00 60 V 7.57 4.17 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 0.80 0.00 0.00 1.00 0.00 0.00 61 D 8.05 5.00 0.00 3.04 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 62 F 8.21 4.62 0.00 3.26 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 63 K 8.27 4.08 0.00 2.03 1.93 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.65 7.81 64 K 8.54 4.02 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.65 7.81 65 I 7.40 4.08 2.24 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 1.64 1.92 1.13 0.00 0.00 66 K 8.32 4.21 0.00 2.00 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 67 E 7.89 3.98 0.00 2.11 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 0.00 2.29 2.35 0.00 68 R 7.89 3.85 0.00 1.41 0.90 0.00 2.95 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 69 I 7.36 3.77 2.06 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 1.87 1.64 0.97 0.00 0.00 70 R 7.69 4.18 0.00 1.90 2.03 0.00 3.05 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 1.76 1.69 0.00 71 N 8.03 4.74 0.00 2.83 2.79 0.00 0.00 6.87 8.76 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 72 H 7.44 4.41 0.00 3.31 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.11 4.04 0.00 1.58 1.55 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.38 7.81 74 Y 7.36 4.45 0.00 3.05 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 75 R 8.89 4.07 0.00 1.86 2.02 0.00 3.35 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 76 S 8.29 4.73 0.00 3.82 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 77 L 8.85 4.03 0.00 1.88 1.65 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.14 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 79 D 7.68 4.38 0.00 2.80 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 80 L 7.59 3.19 0.00 1.36 1.77 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.21 3.69 0.00 2.24 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 0.00 2.26 2.40 0.00 82 K 7.38 3.78 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.63 7.81 83 D 7.96 4.39 0.00 2.84 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 84 V 7.82 3.30 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 0.23 0.00 0.00 0.83 0.00 0.00 85 M 7.91 3.85 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 86 L 8.15 3.81 0.00 1.80 1.69 0.93 0.42 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 87 L 7.80 3.78 0.00 1.43 1.56 -0.25 0.26 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 88 C 7.58 4.06 0.00 3.00 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 89 H 8.24 3.94 0.00 3.26 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.44 4.22 0.00 2.95 2.93 0.00 0.00 6.96 9.10 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 91 A 8.32 4.18 1.56 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 0.00 0.00 92 Q 8.09 4.25 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.80 0.00 0.00 0.00 0.00 0.00 1.62 2.19 0.00 93 T 7.72 4.18 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 1.28 0.00 0.00 94 F 7.90 4.66 0.00 3.18 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 95 N 8.28 4.39 0.00 2.96 2.86 0.00 0.00 7.20 7.85 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 96 L 8.33 4.03 0.00 1.51 1.53 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.48 2.72 0.00 1.79 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 1.87 2.10 0.00 98 G 6.71 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 99 S 7.36 4.63 0.00 4.10 3.84 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 0.00 100 Q 8.37 4.00 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 101 I 7.72 3.93 2.07 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.91 0.00 0.00 102 Y 8.43 4.01 0.00 3.32 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 0.00 103 E 8.66 4.00 0.00 2.11 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 2.46 2.60 0.00 104 D 7.73 4.51 0.00 3.20 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 0.00 105 S 8.12 3.88 0.00 3.92 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 0.00 106 I 7.52 3.55 1.98 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.88 0.00 0.00 107 V 7.79 3.44 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 0.85 0.00 0.00 1.07 0.00 0.00 108 L 8.03 3.67 0.00 1.60 1.61 0.03 1.14 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 0.00 109 Q 7.70 3.89 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 110 S 7.71 4.08 0.00 3.80 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 0.00 111 V 7.65 3.49 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 0.98 0.00 0.00 -0.24 0.00 0.00 112 F 8.08 4.08 0.00 3.20 3.20 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 0.00 113 K 8.03 3.66 0.00 1.91 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.60 7.81 114 S 7.72 3.89 0.00 3.95 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 0.00 115 A 7.87 4.05 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 0.00 116 R 6.99 3.79 0.00 1.78 1.88 0.00 2.67 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.00 117 Q 7.25 4.43 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 118 S 8.39 4.20 0.00 3.80 3.81 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 0.00 119 G 7.90 3.98 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 0.00 0.00 0.00 120 P 0.00 4.20 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 121 S 7.19 3.95 0.00 3.95 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 0.00 122 S 8.29 4.48 0.00 3.84 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 0.00 123 G 8.68 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