NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3403 8.1593 117.3738 62.4686 69.9241 173.5574 2 P 4.2092 0.0000 0.0000 62.8322 31.7646 174.5585 3 Q 4.6163 7.9627 119.3841 55.3381 30.3255 176.6827 4 N 4.3196 7.6229 113.4448 51.2249 40.4722 174.1550 5 I 3.5985 8.0215 121.7135 64.6041 37.6241 178.1699 6 T 3.7632 7.6968 109.1358 64.9097 69.0034 175.6882 7 D 4.4396 8.2703 122.6437 56.6748 40.8167 178.5091 8 L 3.8631 8.0887 120.8710 58.5920 41.9362 178.2814 9 C 4.3346 8.5900 118.1495 59.1567 43.3303 175.0743 10 A 3.8926 7.8246 121.4083 54.0489 18.0147 178.2630 11 E 4.0542 7.2625 115.4869 56.0000 29.9105 175.1214 12 Y 4.8645 6.6492 114.9792 55.8256 41.0679 174.7446 13 H 4.4550 9.1368 120.5405 56.4867 29.9153 174.7882 14 N 4.1487 8.6185 127.7823 54.7493 35.7008 173.3289 15 T 5.0587 7.4602 106.7240 60.3045 72.2427 175.2904 16 Q 4.5825 8.7873 119.4037 54.9262 32.3484 173.4854 17 I 4.6590 8.2599 122.7816 60.7420 38.6547 174.6801 18 H 4.8768 9.1212 123.9395 54.2595 31.7510 172.8401 19 T 4.6585 8.5032 119.7024 62.4950 69.3638 173.4736 20 L 4.2557 8.8801 125.5638 55.4165 43.9022 178.1413 21 N 4.1832 7.7504 112.5690 53.8960 36.8883 173.1679 22 D 4.8572 7.5696 114.3245 52.4618 44.9676 173.8346 23 K 5.0587 8.3477 120.4194 54.7528 34.0926 176.5309 24 I 3.2488 8.0730 120.6203 61.2634 37.7061 176.1969 25 F 4.5519 8.8591 128.0605 60.6761 39.6760 175.6039 26 S 4.3797 7.6781 110.7902 56.9636 66.5456 172.3799 27 Y 4.8047 7.6993 121.0339 56.0916 41.5276 174.4179 28 T 4.4313 8.3756 122.5630 61.4981 72.3003 172.3844 29 E 4.7927 8.5395 126.2668 54.2235 32.6848 174.6311 30 S 4.7047 9.1877 121.6117 56.1654 65.4280 173.9392 31 L 4.3837 8.5035 125.3761 55.1870 40.3429 175.9724 32 A 3.9657 8.2580 123.1065 53.5648 17.9077 177.8486 33 G 3.7349 7.9908 112.3206 45.4611 0.0000 174.4828 *34 K 4.3562 9.1429 131.2935 55.6008 30.8593 174.5782 *35 D 4.9176 7.2013 115.9692 52.1984 40.1596 178.5081 36 E 4.3639 8.2531 121.7052 57.9958 29.9968 177.0893 37 M 4.9783 8.9065 121.0202 53.3163 35.5514 173.9070 38 A 5.0004 8.4774 120.7491 50.2097 22.3408 174.9980 39 I 4.8857 8.5914 123.3412 59.3043 40.9814 174.7596 40 I 5.1987 8.9505 119.1551 58.2042 41.0468 174.4151 41 T 5.1954 8.1890 112.5828 60.3961 72.5732 172.6958 42 F 5.0865 9.1582 122.0687 55.4255 41.4685 177.0220 43 K 3.5287 8.3116 119.6924 60.1205 32.1606 177.8638 44 N 4.5314 8.2600 113.4778 53.1162 37.0168 175.7226 45 G 3.9414 8.3760 108.6637 45.4760 0.0000 174.3318 46 A 4.0621 7.9608 121.7278 52.7344 19.4290 176.7458 47 T 4.8632 7.7385 117.2719 61.7303 72.1815 173.3277 48 F 5.3113 9.2051 123.3340 55.9825 44.1192 173.5490 49 Q 5.2101 9.0116 117.0748 54.0428 32.3681 173.7245 50 V 4.5989 8.3034 120.5219 61.3680 32.8776 175.6043 51 E 4.0527 8.9121 127.4470 56.2696 29.9611 177.0169 52 V 3.7208 8.2454 123.6207 61.9023 32.1202 174.1488 53 P 4.5820 0.0000 0.0000 63.1752 29.0223 175.9088 54 G 3.7239 8.0132 115.7660 45.6789 0.0000 172.5413 55 S 3.9143 8.3926 115.9309 60.5721 63.5092 175.7655 56 Q 4.0646 8.0318 118.1352 57.9610 28.5350 175.6904 57 H 4.8836 7.1028 114.3048 53.1042 30.1301 174.7267 58 I 3.8334 8.2429 115.2520 61.4633 37.8426 176.4622 59 D 4.4581 8.6099 120.5559 57.1629 40.6593 179.1322 60 S 4.1519 8.0693 114.5976 61.3987 63.1721 176.3956 61 Q 4.0118 7.7698 121.2082 58.4862 28.4856 178.5000 62 K 4.1543 7.8959 119.4603 58.7923 32.1830 179.2402 63 K 4.0682 8.2976 119.3405 59.5370 32.5331 179.3154 64 A 3.9550 8.0640 122.0438 55.1638 18.2369 179.5538 65 I 3.6731 7.6196 118.0334 64.7128 37.0291 178.6018 66 E 4.0152 8.1365 118.9222 59.2138 29.1966 179.3233 67 R 3.8941 8.2990 119.0947 59.6578 30.2037 178.0539 68 M 4.0303 8.2789 118.1254 58.9158 32.1688 178.4180 69 K 4.1802 7.9913 118.3697 59.2595 32.1510 179.2728 70 D 4.3395 7.8482 119.6483 57.6678 40.7798 178.6911 71 T 3.9156 8.2406 116.6096 66.7633 68.3486 176.6817 72 L 4.0537 8.1480 120.8036 57.5493 41.5915 179.4418 73 R 2.9836 7.9036 118.6599 59.3355 30.0806 178.5597 74 I 3.5767 8.1737 118.4204 63.7626 37.8788 177.7342 75 A 3.9996 8.1978 122.1414 55.0090 18.0736 178.9898 76 Y 3.8988 8.2406 118.3806 60.8895 38.7011 178.2628 77 L 3.6300 7.8572 119.0482 57.2207 41.7932 178.6494 78 T 4.1659 7.6243 106.8583 60.7460 69.4895 174.2782 79 E 3.5984 7.5804 119.9759 57.4389 27.0159 174.4046 80 A 4.1786 7.7856 120.5321 51.6533 19.7476 177.8580 81 K 4.5163 8.6847 123.8637 56.3444 33.7258 175.9962 82 V 4.0948 9.0512 122.6195 60.8906 32.6794 176.2085 83 E 4.1038 9.3760 128.8857 57.9776 29.8573 176.2539 84 K 5.0759 8.3368 116.2502 54.5430 37.4361 174.5942 85 L 5.0571 8.6641 120.7735 53.0569 45.7630 174.9269 86 C 5.1126 8.9241 123.2762 55.0378 45.4311 173.0082 87 V 4.7963 8.5918 119.0377 59.1339 35.9181 174.7101 88 W 5.0176 9.4071 123.2609 55.9414 29.2584 176.9094 89 N 4.5402 9.2187 123.7720 54.8030 38.1316 176.8811 90 N 4.8159 8.2774 115.0677 52.8740 37.0326 174.3980 91 K 4.7244 8.1324 116.6429 56.1759 36.3098 176.5125 92 T 4.3354 8.1144 117.0190 61.8055 71.4218 172.2910 93 P 4.3954 0.0000 0.0000 62.6709 32.4938 175.9782 94 H 4.5383 8.6742 118.0294 56.3461 29.9811 174.3399 95 A 5.0219 8.9568 125.2261 51.6363 19.7011 176.6414 96 I 4.1719 8.8069 124.4122 61.4894 37.3173 175.9630 97 A 4.6099 8.7871 126.9154 52.5944 21.2449 176.0388 98 A 4.6380 7.4694 114.3688 51.1588 22.8522 175.1840 99 I 5.0210 8.0674 118.5051 59.6140 41.3244 174.1394 100 S 4.9212 8.9447 122.0057 56.8626 66.3623 172.6920 101 M 5.1719 8.2337 119.4243 53.8080 35.6322 174.3734 102 A 4.3566 7.6142 120.8320 51.8948 23.1863 176.4191 103 N 4.5246 8.7975 115.8528 53.4323 39.1189 175.0425 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 T 8.16 4.34 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 1.22 0.00 0.00 2 P 0.00 4.21 0.00 2.29 2.01 0.00 3.73 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 1.99 2.12 0.00 3 Q 7.96 4.62 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 4 N 7.62 4.32 0.00 2.91 2.84 0.00 0.00 5.74 7.58 0.00 0.00 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 I 8.02 3.60 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.10 0.87 0.00 0.00 6 T 7.70 3.76 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 1.17 0.00 0.00 7 D 8.27 4.44 0.00 2.82 2.72 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 8 L 8.09 3.86 0.00 1.87 1.84 0.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.59 4.33 0.00 3.16 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 10 A 7.82 3.89 1.31 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 11 E 7.26 4.05 0.00 1.16 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 2.11 2.10 0.00 12 Y 6.65 4.86 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 13 H 9.14 4.45 0.00 3.22 3.48 0.00 6.08 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.62 4.15 0.00 2.99 3.02 0.00 0.00 6.68 7.05 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 15 T 7.46 5.06 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 0.77 0.00 0.00 16 Q 8.79 4.58 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 17 I 8.26 4.66 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.85 0.00 0.00 18 H 9.12 4.88 0.00 2.85 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.50 4.66 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 1.16 0.00 0.00 20 L 8.88 4.26 0.00 1.22 1.22 0.43 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.75 4.18 0.00 2.83 2.86 0.00 0.00 6.80 7.61 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 22 D 7.57 4.86 0.00 2.87 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 23 K 8.35 5.06 0.00 1.96 1.87 0.00 1.24 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.54 7.81 24 I 8.07 3.25 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.58 0.86 0.00 0.00 25 F 8.86 4.55 0.00 3.15 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 26 S 7.68 4.38 0.00 3.72 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 27 Y 7.70 4.80 0.00 2.21 1.93 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 28 T 8.38 4.43 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 1.08 0.00 0.00 29 E 8.54 4.79 0.00 1.64 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 0.00 2.14 2.23 0.00 30 S 9.19 4.70 0.00 3.79 3.59 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 31 L 8.50 4.38 0.00 1.74 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.26 3.97 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 33 G 7.99 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 K 9.14 4.36 0.00 1.97 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 0.99 7.81 *35 D 7.20 4.92 0.00 2.72 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 36 E 8.25 4.36 0.00 1.82 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 2.32 2.38 0.00 37 M 8.91 4.98 0.00 2.08 2.07 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 2.41 2.62 0.00 38 A 8.48 5.00 1.20 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 39 I 8.59 4.89 1.76 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 1.24 0.76 0.90 0.00 0.00 40 I 8.95 5.20 1.82 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.24 1.03 0.00 0.00 41 T 8.19 5.20 4.34 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 1.20 0.00 0.00 42 F 9.16 5.09 0.00 3.43 3.16 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 43 K 8.31 3.53 0.00 1.75 2.06 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.38 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.41 7.81 44 N 8.26 4.53 0.00 2.89 3.01 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.38 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 46 A 7.96 4.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.74 4.86 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 1.16 0.00 0.00 48 F 9.21 5.31 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.01 5.21 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 50 V 8.30 4.60 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 0.89 0.00 0.00 1.02 0.00 0.00 51 E 8.91 4.05 0.00 2.00 1.84 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 2.26 2.29 0.00 52 V 8.25 3.72 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 0.88 0.00 0.00 1.01 0.00 0.00 53 P 0.00 4.58 0.00 2.23 2.15 0.00 3.83 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 2.00 2.00 0.00 54 G 8.01 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 0.00 0.00 0.00 55 S 8.39 3.91 0.00 3.95 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 56 Q 8.03 4.06 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 57 H 7.10 4.88 0.00 3.19 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.24 3.83 1.88 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 1.42 0.87 0.92 0.00 0.00 59 D 8.61 4.46 0.00 2.72 2.77 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 60 S 8.07 4.15 0.00 4.05 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 61 Q 7.77 4.01 0.00 2.29 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 62 K 7.90 4.15 0.00 2.01 1.88 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.63 7.81 63 K 8.30 4.07 0.00 2.03 2.07 0.00 1.21 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 64 A 8.06 3.96 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 65 I 7.62 3.67 1.89 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 1.54 1.30 0.98 0.00 0.00 66 E 8.14 4.02 0.00 2.19 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 2.55 2.48 0.00 67 R 8.30 3.89 0.00 1.88 2.11 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.28 4.03 0.00 2.35 2.10 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 2.67 2.71 0.00 69 K 7.99 4.18 0.00 1.99 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.77 7.81 70 D 7.85 4.34 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 71 T 8.24 3.92 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 1.23 0.00 0.00 72 L 8.15 4.05 0.00 1.88 1.87 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.90 2.98 0.00 1.59 1.90 0.00 3.01 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.18 0.00 74 I 8.17 3.58 1.83 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 1.43 1.02 0.98 0.00 0.00 75 A 8.20 4.00 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 76 Y 8.24 3.90 0.00 3.06 3.05 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 77 L 7.86 3.63 0.00 1.54 1.60 0.86 1.12 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 78 T 7.62 4.17 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 1.21 0.00 0.00 79 E 7.58 3.60 0.00 2.04 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 2.08 2.05 0.00 80 A 7.79 4.18 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 81 K 8.68 4.52 0.00 1.89 1.73 0.00 1.97 0.00 0.00 1.98 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.55 7.81 82 V 9.05 4.09 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 1.02 0.00 0.00 0.97 0.00 0.00 83 E 9.38 4.10 0.00 2.02 1.93 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 2.26 2.26 0.00 84 K 8.34 5.08 0.00 1.63 1.61 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.34 7.81 85 L 8.66 5.06 0.00 1.12 1.12 -0.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.92 5.11 0.00 2.86 2.77 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 87 V 8.59 4.80 2.34 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 0.62 0.00 0.00 1.08 0.00 0.00 88 W 9.41 5.02 0.00 3.39 3.08 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 0.00 89 N 9.22 4.54 0.00 2.91 3.19 0.00 0.00 6.30 7.11 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 90 N 8.28 4.82 0.00 2.91 3.02 0.00 0.00 5.80 7.13 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 91 K 8.13 4.72 0.00 1.86 1.96 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.57 7.81 92 T 8.11 4.34 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 1.15 0.00 0.00 93 P 0.00 4.40 0.00 2.01 1.96 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 94 H 8.67 4.54 0.00 3.36 3.47 0.00 5.63 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 95 A 8.96 5.02 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.81 4.17 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.90 0.00 0.00 97 A 8.79 4.61 -0.19 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 98 A 7.47 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.07 5.02 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.92 0.00 0.00 100 S 8.94 4.92 0.00 3.88 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 0.00 101 M 8.23 5.17 0.00 1.87 1.95 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 2.50 2.54 0.00 102 A 7.61 4.36 1.18 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 0.00 0.00 103 N 8.80 4.52 0.00 2.69 2.69 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.