NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1630 8.1727 122.0499 56.2845 34.1218 174.0714 2 V 4.6490 8.1650 127.0015 60.6834 32.3444 174.4728 3 F 4.4742 10.0664 129.0984 57.5775 40.1557 175.0293 4 E 4.2681 9.2705 121.3324 55.6528 31.0047 176.8904 5 R 3.4193 9.0311 120.6343 60.8106 29.9559 179.4826 6 C 4.3316 8.0320 115.2990 59.6285 37.9317 175.6782 7 E 3.9122 8.1286 120.7371 59.2651 29.3134 178.5391 8 L 3.6024 8.0247 120.0529 57.9042 42.0660 178.5028 9 A 3.9705 7.9206 120.7361 55.5196 18.2297 179.9079 10 R 3.9414 8.1178 116.3026 59.3850 30.2270 179.3787 11 T 3.8530 7.7974 115.6914 66.7038 68.4773 176.7115 12 L 3.8744 8.2656 121.2307 57.4478 41.5602 179.4903 13 K 3.9160 8.0220 119.6831 59.6760 31.9604 179.1954 14 R 4.0219 7.9712 117.1237 58.7508 30.0053 178.0652 15 L 4.3563 7.3890 116.0359 54.4415 41.6851 177.2640 16 G 3.8955 7.7628 107.0438 46.5452 0.0000 174.9420 17 M 3.9202 7.8412 121.0651 56.4247 32.2936 175.5625 18 D 4.4813 8.0179 117.6169 55.8905 40.9400 175.7765 19 G 3.9627 9.3249 115.5253 45.3972 0.0000 171.3185 20 Y 4.0732 8.2405 121.8577 58.6712 38.9771 176.0609 21 A 3.5922 8.8597 130.0865 53.2343 16.2406 177.5771 22 G 3.8224 8.2016 105.2343 47.3530 0.0000 174.2265 23 I 4.0990 7.6116 121.9771 59.2369 38.1104 175.9940 24 S 4.6909 8.3096 120.7759 57.9218 65.0048 174.8651 25 L 4.2676 8.4327 122.8896 58.4026 41.7581 179.1234 26 A 4.1504 8.1568 120.3261 55.3004 18.3067 179.2463 27 N 4.4444 8.1231 114.8770 56.3623 38.6299 177.7302 28 W 4.2626 8.0035 119.9938 59.9608 29.0245 178.5607 29 M 4.1516 8.5257 118.9451 58.6120 31.4638 177.9747 30 C 3.1890 8.1899 118.7201 59.0160 41.3850 175.4157 31 L 3.9858 8.2105 121.8101 58.2373 41.6824 178.8536 32 A 4.2953 8.2662 122.1094 54.3438 18.3028 179.4005 33 K 2.8909 8.2472 118.2494 59.4291 32.0436 179.2053 34 W 4.0473 7.7336 117.5042 59.3290 29.0104 178.4098 35 E 4.3134 8.5836 118.8657 58.7740 29.0581 177.9001 36 S 4.5165 8.1047 109.7773 56.5776 64.5468 174.4997 37 G 3.2139 8.1509 108.8980 46.9665 0.0000 173.5244 38 Y 3.6631 7.7366 113.5374 58.5409 35.1104 168.4445 39 N 5.2340 7.5936 119.4278 52.1910 39.6768 175.6492 40 T 4.1518 9.2078 117.9110 63.4024 69.9816 175.8918 41 R 4.5329 8.1568 117.6595 55.8042 30.4748 176.3358 42 A 4.3968 7.8406 122.5297 52.7905 19.4143 177.5342 43 T 5.0765 8.3144 110.6385 60.1092 72.5564 172.9794 44 N 4.8955 8.7365 121.8112 52.4116 42.0552 172.3682 45 Y 4.7624 8.7528 127.6109 56.8957 41.1230 173.8820 46 N 4.6807 8.3578 124.2453 51.2022 39.1996 175.4075 47 A 3.6918 8.3164 127.9654 54.7239 19.0288 179.1861 48 G 3.6860 8.1180 104.4150 48.3172 0.0000 174.0835 49 D 4.7386 7.7115 115.7479 51.8734 39.8230 175.8489 50 R 3.8902 8.0236 116.4111 56.7739 28.2641 175.8994 51 S 4.9569 7.5586 111.8324 57.1157 66.4309 172.6783 52 T 5.1073 8.9292 115.8854 61.9800 72.7697 172.8990 53 D 5.3332 9.1284 125.6211 53.2981 43.0765 175.0550 54 Y 4.9938 9.0069 120.9465 57.4551 41.4867 177.4623 55 G 4.5301 8.9466 111.6720 46.1285 0.0000 173.5905 56 I 4.0407 8.1065 116.4445 62.7984 38.0159 177.9772 57 F 4.8303 7.9677 115.7306 56.3590 40.0595 175.1217 58 Q 3.5791 7.9032 119.2274 57.0914 26.5402 174.1583 59 I 4.3849 8.1289 118.9189 60.9031 39.1915 176.9847 60 N 5.2365 9.2340 126.6102 53.5150 39.3395 175.8835 61 S 4.5253 9.4540 121.0605 61.2757 63.9188 176.3354 62 R 3.7065 8.8966 122.0669 58.6926 30.2888 177.9608 63 Y 4.3528 7.5881 111.6449 57.7838 40.5622 177.2993 64 W 4.6783 8.2401 119.0350 57.6229 30.2905 173.5494 65 C 6.1192 7.8881 109.3731 52.6319 43.9814 172.2171 66 N 4.9136 8.8079 119.2251 52.0838 39.7600 174.6712 67 D 4.7900 8.5131 122.9790 52.2181 40.2479 177.8032 68 G 4.0298 8.4651 107.0710 46.3452 0.0000 174.6219 69 K 4.4970 8.1094 116.5863 56.5340 33.1246 175.6979 70 T 4.5811 7.7429 117.2145 61.3224 69.3905 172.2485 71 P 4.2070 0.0000 0.0000 64.1302 31.5963 176.2085 72 G 3.9045 8.8156 110.6535 46.2542 0.0000 173.2590 73 A 4.1701 7.4694 121.1376 51.4415 19.0678 177.7181 74 V 4.4288 8.1901 112.9855 59.7286 35.2731 176.3763 75 N 4.8885 7.9357 115.6471 52.0049 38.5617 174.3320 76 A 3.9651 8.5905 124.1959 55.0008 19.0749 178.4735 77 C 4.5732 8.5888 111.2974 57.3832 41.1222 173.0383 78 H 4.0427 7.9479 116.5842 56.6149 26.4713 173.9748 79 L 4.8391 7.3604 116.8942 52.8822 46.4544 176.5622 80 S 4.6729 8.3230 114.9160 57.9833 63.3089 175.9860 81 C 4.1153 8.6921 123.8276 59.5428 38.0914 176.4419 82 S 3.8971 7.9326 115.0650 61.1069 61.6860 175.8026 83 A 4.1082 7.8526 122.6448 54.3448 18.0290 178.4607 84 L 4.5394 7.7700 116.2206 54.7666 41.6818 177.4692 85 L 5.0322 7.8073 118.1536 54.5083 42.3874 176.6709 86 Q 4.3493 7.8137 117.6840 55.3660 29.5419 175.9910 87 D 4.4086 8.6112 120.6296 57.1984 41.1214 176.7670 88 N 4.5931 8.0194 118.1423 53.1569 39.2870 174.7840 89 I 4.1904 8.4770 118.6750 60.9909 38.0667 176.9499 90 A 3.9460 8.2692 124.5373 56.0215 18.1438 179.8573 91 D 4.2739 8.0844 116.3196 57.4198 40.9145 178.6611 92 A 4.0890 8.0022 120.8671 55.1871 18.3670 179.7302 93 V 3.3826 8.2782 116.9798 66.0042 31.7270 178.1485 94 A 3.8203 8.0917 120.6603 55.2352 18.0937 178.8339 95 C 4.2581 8.4484 116.9167 59.6186 39.4197 175.6351 96 A 3.9068 8.2271 122.9162 54.9390 17.5949 179.7906 97 K 3.6929 7.6495 116.4385 59.4310 32.3128 179.1945 98 R 4.0639 7.6844 118.6016 59.2941 29.9748 178.5901 99 V 2.3165 7.5404 118.1608 65.7784 31.3176 178.1609 100 V 3.8561 7.7181 110.3812 62.9433 31.2510 177.6010 101 R 4.4341 7.4944 116.4660 55.9742 30.4003 175.9068 102 D 4.8213 7.4069 119.9376 52.1114 42.5375 175.6111 103 P 4.1920 0.0000 0.0000 66.2240 31.2287 178.1900 104 Q 4.0656 8.1356 115.7330 56.2867 30.1750 177.2360 105 G 3.9545 7.8261 107.2462 46.9910 0.0000 176.4381 106 I 3.4647 7.7271 120.8167 63.2908 37.9152 177.6355 107 R 4.2534 7.2141 117.2714 57.4460 30.0690 177.2613 108 A 4.1175 7.5714 120.8995 53.6536 18.7017 177.8078 109 W 4.6726 8.0111 116.1459 55.4817 29.6896 177.5018 110 V 3.7412 8.7391 123.8028 66.0386 30.9728 177.6684 111 A 4.0375 8.2705 120.1467 54.6780 18.1426 179.2783 112 W 3.9422 8.4022 126.8644 60.6772 30.5952 178.4174 113 R 3.7955 8.2697 116.3880 59.2461 29.6311 178.4583 114 N 4.3499 8.2136 115.3671 55.9398 38.7850 176.9896 115 R 4.0552 7.8667 115.3971 55.9607 31.0957 176.0644 116 C 4.5188 7.0830 115.1909 57.5429 42.9932 174.2832 117 Q 3.2937 6.8208 120.6131 56.9725 28.7056 175.3497 118 N 4.1715 8.5860 121.2321 54.3792 36.2362 173.9283 119 R 4.4681 7.3084 114.8443 54.1381 32.8772 176.0040 120 D 4.5560 8.3861 119.1489 53.9597 40.2759 176.0793 121 V 4.4792 8.1379 118.8910 61.2727 32.6429 178.3306 122 R 4.0222 7.9284 120.3020 59.5182 29.3237 178.4222 123 Q 3.9562 8.1499 116.7430 59.8611 27.9330 178.6619 124 Y 4.3488 7.7248 117.2501 59.9439 38.1864 177.1519 125 V 4.3703 7.7344 110.7304 60.7219 32.9275 175.5603 126 Q 4.1724 7.6022 119.5592 57.3246 28.7450 177.1508 127 G 3.9635 8.9204 110.3521 45.9975 0.0000 174.5612 128 C 4.4148 8.1369 116.1891 56.9750 40.5584 174.0755 129 G 3.8560 8.1536 107.2561 46.6551 0.0000 174.1318 130 V 4.0035 7.8804 118.0873 61.0739 31.9940 175.8614 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 4.16 0.00 2.04 1.61 0.00 1.23 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.14 7.81 2 V 8.17 4.65 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 10.07 4.47 0.00 2.81 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 4 E 9.27 4.27 0.00 1.94 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 2.32 2.25 0.00 5 R 9.03 3.42 0.00 2.01 1.94 0.00 3.45 0.00 0.00 3.49 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 6 C 8.03 4.33 0.00 3.01 3.12 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 7 E 8.13 3.91 0.00 2.06 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 0.00 2.64 2.43 0.00 8 L 8.02 3.60 0.00 1.37 1.36 -0.13 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.92 3.97 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 10 R 8.12 3.94 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.28 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 7.80 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 1.23 0.00 0.00 12 L 8.27 3.87 0.00 1.55 1.56 0.90 0.50 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 13 K 8.02 3.92 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.97 4.02 0.00 1.94 1.97 0.00 3.21 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 15 L 7.39 4.36 0.00 1.63 1.57 0.88 0.83 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 16 G 7.76 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 0.00 0.00 0.00 17 M 7.84 3.92 0.00 1.27 1.96 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 18 D 8.02 4.48 0.00 2.67 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 9.32 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 0.00 0.00 0.00 20 Y 8.24 4.07 0.00 3.39 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 21 A 8.86 3.59 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 22 G 8.20 3.82 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 0.00 0.00 0.00 23 I 7.61 4.10 1.73 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 0.89 0.94 -0.26 0.00 0.00 24 S 8.31 4.69 0.00 4.12 4.04 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 25 L 8.43 4.27 0.00 2.14 1.81 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.16 4.15 1.53 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 27 N 8.12 4.44 0.00 2.76 2.80 0.00 0.00 7.00 8.82 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 28 W 8.00 4.26 0.00 3.52 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 29 M 8.53 4.15 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.92 0.00 30 C 8.19 3.19 0.00 2.61 3.17 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 31 L 8.21 3.99 0.00 1.90 1.88 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.27 4.30 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 33 K 8.25 2.89 0.00 1.58 1.72 0.00 0.71 0.00 0.00 0.91 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 0.45 7.81 34 W 7.73 4.05 0.00 3.46 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 35 E 8.58 4.31 0.00 1.98 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 2.59 2.53 0.00 36 S 8.10 4.52 0.00 4.04 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 37 G 8.15 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 0.00 0.00 0.00 38 Y 7.74 3.66 0.00 3.32 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 39 N 7.59 5.23 0.00 2.82 2.83 0.00 0.00 7.00 6.88 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 40 T 9.21 4.15 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 1.50 0.00 0.00 41 R 8.16 4.53 0.00 1.86 2.07 0.00 3.13 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 42 A 7.84 4.40 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 43 T 8.31 5.08 4.08 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 0.00 0.00 1.30 0.00 0.00 44 N 8.74 4.90 0.00 2.90 2.73 0.00 0.00 6.82 7.67 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 45 Y 8.75 4.76 0.00 2.97 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 46 N 8.36 4.68 0.00 2.60 2.58 0.00 0.00 6.72 7.17 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 47 A 8.32 3.69 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 48 G 8.12 3.69 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 0.00 0.00 0.00 49 D 7.71 4.74 0.00 2.72 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 50 R 8.02 3.89 0.00 2.03 2.19 0.00 3.13 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.56 4.96 0.00 3.92 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 52 T 8.93 5.11 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 0.64 0.00 0.00 53 D 9.13 5.33 0.00 2.69 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 54 Y 9.01 4.99 0.00 2.97 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 55 G 8.95 4.53 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 56 I 8.11 4.04 1.67 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 2.28 0.09 0.00 0.00 57 F 7.97 4.83 0.00 3.21 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 58 Q 7.90 3.58 0.00 2.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 59 I 8.13 4.38 2.14 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 1.33 1.08 1.14 0.00 0.00 60 N 9.23 5.24 0.00 3.10 3.06 0.00 0.00 6.96 7.63 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 61 S 9.45 4.53 0.00 4.09 4.53 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 62 R 8.90 3.71 0.00 1.60 1.57 0.00 2.67 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 63 Y 7.59 4.35 0.00 1.83 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 0.00 0.00 0.00 64 W 8.24 4.68 0.00 3.64 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 65 C 7.89 6.12 0.00 3.19 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 8.81 4.91 0.00 2.79 2.69 0.00 0.00 7.10 8.08 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 67 D 8.51 4.79 0.00 2.89 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 68 G 8.47 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 0.00 0.00 0.00 69 K 8.11 4.50 0.00 1.85 1.88 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.45 7.81 70 T 7.74 4.58 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 1.21 0.00 0.00 71 P 0.00 4.21 0.00 2.01 2.01 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.82 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 0.00 0.00 0.00 73 A 7.47 4.17 1.24 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 0.00 0.00 74 V 8.19 4.43 1.97 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 0.63 0.00 0.00 0.83 0.00 0.00 75 N 7.94 4.89 0.00 2.68 2.55 0.00 0.00 6.77 8.19 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 76 A 8.59 3.97 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 77 C 8.59 4.57 0.00 3.35 3.25 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 78 H 7.95 4.04 0.00 3.28 3.36 0.00 5.80 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 79 L 7.36 4.84 0.00 1.67 1.50 0.97 0.80 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 80 S 8.32 4.67 0.00 3.83 3.69 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 81 C 8.69 4.12 0.00 2.22 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 82 S 7.93 3.90 0.00 3.87 3.82 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 83 A 7.85 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 7.77 4.54 0.00 1.92 1.83 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.81 5.03 0.00 1.75 1.71 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.81 4.35 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 87 D 8.61 4.41 0.00 2.62 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 88 N 8.02 4.59 0.00 2.70 2.75 0.00 0.00 6.95 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 8.48 4.19 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.98 0.00 0.00 90 A 8.27 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.08 4.27 0.00 2.75 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 A 8.00 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 93 V 8.28 3.38 2.19 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 0.78 0.00 0.00 0.87 0.00 0.00 94 A 8.09 3.82 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 8.45 4.26 0.00 3.15 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 96 A 8.23 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.65 3.69 0.00 1.59 1.33 0.00 1.29 0.00 0.00 0.82 0.00 0.00 2.34 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.90 7.81 98 R 7.68 4.06 0.00 2.00 2.12 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 99 V 7.54 2.32 1.77 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 -0.41 0.00 0.00 -0.55 0.00 0.00 100 V 7.72 3.86 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 1.26 0.00 0.00 1.43 0.00 0.00 101 R 7.49 4.43 0.00 2.05 2.03 0.00 3.24 0.00 0.00 3.32 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 102 D 7.41 4.82 0.00 3.05 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 0.00 103 P 0.00 4.19 0.00 2.00 2.14 0.00 3.67 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 2.02 2.14 0.00 104 Q 8.14 4.07 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.83 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 0.00 106 I 7.73 3.46 1.01 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.62 0.00 0.00 107 R 7.21 4.25 0.00 1.97 2.02 0.00 3.23 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.50 0.00 108 A 7.57 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.01 4.67 0.00 3.57 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 0.00 110 V 8.74 3.74 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 1.19 0.00 0.00 1.00 0.00 0.00 111 A 8.27 4.04 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 0.00 112 W 8.40 3.94 0.00 3.50 3.51 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 0.00 113 R 8.27 3.80 0.00 2.10 2.02 0.00 3.54 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.18 0.00 114 N 8.21 4.35 0.00 2.67 2.70 0.00 0.00 6.96 7.47 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 0.00 115 R 7.87 4.06 0.00 0.67 0.66 0.00 2.79 0.00 0.00 2.85 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.00 116 C 7.08 4.52 0.00 1.52 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 0.00 117 Q 6.82 3.29 0.00 0.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 118 N 8.59 4.17 0.00 2.80 2.81 0.00 0.00 6.93 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 7.31 4.47 0.00 1.80 1.78 0.00 3.22 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 120 D 8.39 4.56 0.00 2.63 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 0.00 121 V 8.14 4.48 2.41 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 1.01 0.00 0.00 1.05 0.00 0.00 122 R 7.93 4.02 0.00 2.03 2.02 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 123 Q 8.15 3.96 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.05 1.53 0.00 124 Y 7.72 4.35 0.00 3.22 3.15 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 0.00 0.00 0.00 0.00 125 V 7.73 4.37 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 0.87 0.00 0.00 1.06 0.00 0.00 126 Q 7.60 4.17 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 127 G 8.92 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 0.00 0.00 0.00 128 C 8.14 4.41 0.00 3.08 3.15 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 0.00 0.00 0.00 0.00 129 G 8.15 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 0.00 130 V 7.88 4.00 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 0.76 0.00 0.00 0.97 0.00 0.00