NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4256 8.3044 120.3286 55.1029 33.4179 174.4198 2 Q 4.1042 8.5993 123.7870 54.8647 29.8660 174.7563 3 D 4.5846 8.4412 126.7482 52.8912 40.6870 173.8142 4 Y 5.1229 7.5914 120.7646 55.1219 41.4821 175.3823 5 T 4.8272 8.9505 116.3525 61.8162 71.9474 173.5069 6 V 4.6207 8.9683 126.3443 62.1825 33.3577 174.1806 7 H 5.2070 9.6026 126.1391 54.4977 30.6124 173.7762 8 I 4.6998 8.8623 125.7825 59.6138 39.3264 175.1044 9 V 4.5666 8.6096 127.5078 61.1372 33.4491 173.5853 10 D 5.5707 8.6837 127.1507 51.3356 43.3420 174.8755 11 D 4.4562 9.0160 126.0039 56.3955 40.6169 176.3545 12 E 4.0326 8.5745 125.5282 55.8836 29.2094 177.2156 *13 E 3.9127 8.8389 126.5832 61.0278 29.7592 174.2769 14 P 4.4231 0.0000 0.0000 66.4639 31.3951 179.5099 *15 V 3.6805 7.6683 118.7971 65.3412 31.5035 180.1106 16 R 4.1119 7.8416 118.5802 59.4557 29.9946 178.8211 17 K 3.3844 7.5731 117.8117 59.1337 31.9569 179.0564 18 S 3.9269 7.7941 113.3072 61.3636 62.2167 176.0882 19 L 3.9716 7.8992 122.4293 58.0884 41.8288 178.6515 20 A 4.0248 8.0977 120.7764 55.3884 18.2817 179.6224 21 F 4.3353 8.8547 116.6468 60.9741 38.7328 177.5994 22 M 4.1094 8.0961 116.8997 58.7261 32.3680 178.0126 23 L 4.2376 8.2822 119.3038 58.0088 41.7483 179.5181 24 T 3.9393 8.3966 116.1323 67.0817 68.2274 176.5869 25 M 4.1772 8.3005 119.2367 57.6839 31.9992 177.4879 26 N 4.7992 7.9617 114.8289 53.0159 39.0925 175.8630 27 G 3.8692 8.0904 109.3495 45.0327 0.0000 174.1788 28 F 4.0496 7.8314 117.3756 56.8405 39.9548 174.6419 29 A 4.3901 8.2501 125.3855 51.7244 19.6674 176.6600 30 V 4.8991 8.2853 121.2156 60.9921 35.2613 174.4035 31 K 4.5551 9.0542 127.7258 54.9463 35.3915 174.4239 32 M 4.9481 8.6747 126.7864 54.2982 32.2749 174.9428 33 H 4.9082 9.1884 123.5651 54.5576 30.9342 176.7445 34 Q 4.2214 8.9567 121.4168 57.5995 28.5841 174.1219 35 S 4.6948 7.5358 109.4673 56.5315 67.2666 175.3730 36 A 4.0961 8.5441 123.9131 55.4298 18.1508 179.7423 37 E 3.9202 8.2435 116.3290 59.5423 29.7058 179.2656 38 A 4.0512 8.1170 120.7800 55.1589 18.3809 179.5014 39 F 4.0307 8.4073 119.1410 61.4252 39.2654 177.3240 40 L 3.7853 8.0796 117.4717 57.7587 41.4430 179.1389 41 A 4.0803 7.7823 119.8894 54.7496 18.5273 178.9090 42 F 4.1170 7.9762 118.0865 60.1167 39.5113 177.2831 43 A 3.5295 7.5074 121.0824 54.9104 17.8031 177.8506 44 P 4.1777 0.0000 0.0000 65.0185 31.4625 177.6694 45 D 4.4005 7.5998 116.4227 53.8231 41.2092 176.9122 46 V 3.7514 6.7164 120.5685 62.7516 31.9668 175.2959 47 R 4.5811 8.3040 125.3401 55.8034 33.8577 175.2107 48 N 4.2370 8.8569 117.5360 54.5142 35.9831 173.3873 49 G 4.7072 7.6770 102.9873 44.4407 0.0000 171.6127 50 V 4.7377 9.1849 122.4649 60.7517 34.5549 173.9479 51 L 4.9970 8.8590 129.0150 53.2835 44.6236 175.0788 52 V 4.7994 8.7757 125.9787 61.3144 34.2746 174.0907 53 T 4.8746 8.7140 118.4247 60.1085 71.6779 173.4510 54 D 4.9849 8.8438 122.5156 52.6621 41.8181 172.0282 55 L 4.9786 7.9886 119.1042 52.9680 43.1282 176.4888 56 R 4.2392 8.7203 123.0291 57.4668 31.6883 176.5177 57 M 4.1141 7.5051 118.9134 54.5958 31.8221 174.8045 58 P 4.3256 0.0000 0.0000 65.0060 31.3555 177.6149 59 D 4.4486 7.9440 117.9933 56.2365 39.9918 181.0662 60 M 5.3011 7.7943 111.2005 55.2928 34.0826 174.7596 61 S 4.6562 8.9623 122.0994 56.6918 66.0513 175.0405 62 G 3.6790 8.5474 107.7676 47.9816 0.0000 175.7033 63 V 3.6119 7.7898 119.8848 66.0746 31.5257 177.8999 64 E 4.0133 7.9091 117.2874 59.1250 29.1844 179.0871 65 L 3.9878 7.9996 120.5220 58.2132 42.1129 179.0098 66 L 4.1042 8.4842 121.8167 58.4380 41.5253 180.4732 67 R 3.9534 8.0199 120.5615 61.5808 29.5201 180.8986 68 N 4.6037 8.6123 118.0642 55.9804 38.5610 177.6356 69 L 4.1184 8.4877 121.0775 57.6857 41.7530 179.5560 70 G 3.7260 8.3707 105.9598 48.2018 0.0000 175.4491 71 D 4.4394 7.9972 120.0281 56.7376 40.9084 178.1131 72 L 4.1717 7.5575 116.7139 54.4466 41.8742 176.8955 73 K 3.9613 7.9667 117.3837 57.6459 29.9287 175.3657 74 I 4.4531 7.6360 118.5967 59.3476 39.4284 174.7824 75 N 4.9607 8.7161 123.2656 51.6766 40.6953 173.6811 76 I 4.6033 8.1330 125.1967 58.6613 40.6995 173.2343 77 P 4.3526 0.0000 0.0000 63.3407 32.3297 175.4874 78 S 5.2329 8.6526 118.8557 56.7574 67.1738 172.7076 79 I 4.7454 8.6549 124.5461 59.5330 39.7678 174.5984 80 V 4.7148 8.2434 127.1245 60.3660 33.3809 174.5322 81 I 4.7154 8.7532 130.5397 61.1066 37.5762 175.6408 82 T 4.7409 9.0566 117.1751 59.2825 72.2654 173.9126 83 G 3.8765 8.5605 109.5217 46.2463 0.0000 172.5357 84 H 4.6712 8.3248 121.7236 56.7309 30.1370 175.6444 85 G 3.7049 9.1403 114.6469 46.3114 0.0000 174.0688 86 D 4.5255 7.9170 120.3106 53.0079 40.6283 176.8219 87 V 3.5220 7.9485 126.1780 65.2645 31.8335 175.6284 88 P 4.1817 0.0000 0.0000 65.6229 31.2072 178.0818 89 M 3.9305 8.4392 116.8335 58.6595 32.2373 178.1705 90 A 3.6896 7.4011 119.4078 54.9939 18.4346 179.7737 91 V 3.4038 7.6052 116.7011 66.2376 31.5955 178.1951 92 E 3.9759 8.5660 118.4640 59.0457 29.2062 179.2376 93 A 3.9904 8.0221 121.1033 55.4478 18.5975 179.6519 94 M 4.0671 7.9489 117.0010 58.3593 31.8102 178.9196 95 K 3.9664 8.0149 118.7406 59.2218 32.4689 178.0394 96 A 4.2757 7.9460 118.8166 52.5714 18.5367 177.9352 97 G 3.9690 7.6962 105.0484 44.7229 0.0000 174.1929 98 A 4.1775 7.6386 122.6029 51.9669 18.9429 178.4731 99 V 3.7373 8.4530 122.3177 66.1156 32.2888 175.3638 100 D 4.7140 7.6418 117.3584 53.4847 44.4884 174.0252 101 F 5.4158 8.4216 116.0955 55.0075 41.2572 174.7128 102 I 4.2883 8.4992 119.9940 59.4625 40.5579 174.2737 103 E 4.9109 8.8845 128.6641 55.1632 30.4447 176.2428 104 K 4.5535 9.0813 126.4544 55.5980 33.5816 175.1545 105 P 4.3976 0.0000 0.0000 61.9498 32.2891 175.5352 106 F 5.0562 7.0537 114.2001 54.8469 41.2579 174.4563 107 E 4.3814 8.5792 120.7355 55.8551 30.6170 177.7060 108 D 4.5717 8.8868 122.2589 57.9471 40.9166 179.3390 109 T 3.9354 7.9809 109.7453 64.7971 68.6650 176.5785 110 V 3.5657 7.7381 120.9546 65.8270 31.5395 177.9344 111 I 3.5005 7.6638 117.9494 63.8119 37.7957 177.7196 112 I 3.6050 7.8927 120.8539 64.4025 36.9058 178.2292 113 E 3.9880 8.3888 119.1940 59.2663 29.1802 179.2605 114 A 3.9187 7.8874 120.7495 55.2513 18.4464 179.7632 115 I 3.6098 7.8641 118.4024 64.5716 36.9147 178.5640 116 E 4.1214 8.2888 118.5722 59.3372 29.4681 179.0717 117 R 3.9953 8.2722 118.6951 59.4490 30.2024 178.5293 118 A 4.1014 8.3499 121.1117 54.9778 18.3934 179.6657 119 S 3.8333 8.0174 112.6413 61.0237 62.7182 176.2378 120 E 4.0671 7.5755 120.9731 58.6246 29.2808 177.7687 121 H 4.4447 7.8373 114.7737 55.6763 29.4248 175.3314 122 L 4.3885 6.9224 121.2804 53.9002 42.5951 177.3007 123 V 3.8370 8.2154 113.7779 61.8033 31.5878 176.2801 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 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 Q 8.60 4.10 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.34 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 3 D 8.44 4.58 0.00 2.67 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 4 Y 7.59 5.12 0.00 3.19 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 5 T 8.95 4.83 4.39 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 1.15 0.00 0.00 6 V 8.97 4.62 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 0.97 0.00 0.00 0.99 0.00 0.00 7 H 9.60 5.21 0.00 3.15 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.86 4.70 1.85 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 1.08 0.99 0.88 0.00 0.00 9 V 8.61 4.57 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 1.00 0.00 0.00 0.58 0.00 0.00 10 D 8.68 5.57 0.00 2.65 2.45 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 0.00 11 D 9.02 4.46 0.00 2.72 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 12 E 8.57 4.03 0.00 2.01 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 2.28 2.23 0.00 *13 E 8.84 3.91 0.00 2.01 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 0.00 2.33 1.99 0.00 14 P 0.00 4.42 0.00 2.20 2.29 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 *15 V 7.67 3.68 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 0.81 0.00 0.00 0.93 0.00 0.00 16 R 7.84 4.11 0.00 1.97 2.08 0.00 3.17 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 17 K 7.57 3.38 0.00 1.55 0.80 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.36 7.81 18 S 7.79 3.93 0.00 3.80 3.97 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 0.00 0.00 0.00 0.00 19 L 7.90 3.97 0.00 1.90 1.65 1.01 0.91 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 20 A 8.10 4.02 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 21 F 8.85 4.34 0.00 3.03 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 22 M 8.10 4.11 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.80 0.00 23 L 8.28 4.24 0.00 1.86 1.58 0.73 0.26 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 24 T 8.40 3.94 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 1.17 0.00 0.00 25 M 8.30 4.18 0.00 2.00 2.30 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 2.87 2.57 0.00 26 N 7.96 4.80 0.00 3.14 3.04 0.00 0.00 7.20 7.68 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 27 G 8.09 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 0.00 0.00 0.00 28 F 7.83 4.05 0.00 3.16 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 29 A 8.25 4.39 1.25 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 0.00 0.00 30 V 8.29 4.90 2.12 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 0.84 0.00 0.00 1.03 0.00 0.00 31 K 9.05 4.56 0.00 1.72 1.48 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.00 1.22 7.81 32 M 8.67 4.95 0.00 1.92 1.98 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 2.53 2.53 0.00 33 H 9.19 4.91 0.00 3.10 3.30 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.96 4.22 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 35 S 7.54 4.69 0.00 4.13 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 36 A 8.54 4.10 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 37 E 8.24 3.92 0.00 2.10 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 2.42 2.47 0.00 38 A 8.12 4.05 1.45 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 0.00 0.00 0.00 39 F 8.41 4.03 0.00 3.08 3.23 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 0.00 40 L 8.08 3.79 0.00 1.82 1.71 1.00 0.89 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 41 A 7.78 4.08 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 42 F 7.98 4.12 0.00 3.16 3.01 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 0.00 0.00 0.00 43 A 7.51 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.18 0.00 1.89 2.03 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 1.92 2.06 0.00 45 D 7.60 4.40 0.00 1.78 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 0.00 0.00 0.00 0.00 46 V 6.72 3.75 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 0.88 0.00 0.00 0.99 0.00 0.00 47 R 8.30 4.58 0.00 1.83 1.81 0.00 3.58 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 48 N 8.86 4.24 0.00 2.97 2.92 0.00 0.00 6.75 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 49 G 7.68 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 0.00 0.00 0.00 0.00 50 V 9.18 4.74 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 0.91 0.00 0.00 0.84 0.00 0.00 51 L 8.86 5.00 0.00 1.66 1.42 0.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.78 4.80 1.98 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 0.89 0.00 0.00 0.82 0.00 0.00 53 T 8.71 4.87 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 1.11 0.00 0.00 54 D 8.84 4.98 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 55 L 7.99 4.98 0.00 1.62 1.72 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.72 4.24 0.00 1.91 1.97 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 57 M 7.51 4.11 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 58 P 0.00 4.33 0.00 2.21 2.17 0.00 3.82 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 1.99 1.98 0.00 59 D 7.94 4.45 0.00 2.72 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 60 M 7.79 5.30 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 61 S 8.96 4.66 0.00 4.09 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 62 G 8.55 3.68 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 0.00 0.00 0.00 63 V 7.79 3.61 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 1.06 0.00 0.00 0.90 0.00 0.00 64 E 7.91 4.01 0.00 2.24 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 2.33 2.32 0.00 65 L 8.00 3.99 0.00 1.81 1.88 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.48 4.10 0.00 1.87 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.02 3.95 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 68 N 8.61 4.60 0.00 2.91 2.91 0.00 0.00 7.08 6.31 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 69 L 8.49 4.12 0.00 1.89 1.91 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.37 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 71 D 8.00 4.44 0.00 2.83 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 72 L 7.56 4.17 0.00 1.82 1.68 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.97 3.96 0.00 1.91 1.91 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.53 7.81 74 I 7.64 4.45 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 1.33 0.81 0.90 0.00 0.00 75 N 8.72 4.96 0.00 2.65 2.69 0.00 0.00 6.92 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 76 I 8.13 4.60 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 1.08 0.00 0.00 77 P 0.00 4.35 0.00 2.04 2.00 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 78 S 8.65 5.23 0.00 3.70 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.65 4.75 1.76 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 1.04 0.88 0.76 0.00 0.00 80 V 8.24 4.71 2.13 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 1.34 0.00 0.00 0.93 0.00 0.00 81 I 8.75 4.72 2.04 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 1.14 0.00 0.00 82 T 9.06 4.74 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 1.32 0.00 0.00 83 G 8.56 3.88 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 0.00 0.00 0.00 84 H 8.32 4.67 0.00 3.19 3.28 0.00 5.86 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 85 G 9.14 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.92 4.53 0.00 2.73 2.64 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 87 V 7.95 3.52 2.03 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 0.94 0.00 0.00 0.89 0.00 0.00 88 P 0.00 4.18 0.00 2.16 2.04 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 89 M 8.44 3.93 0.00 2.05 2.32 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 2.59 2.55 0.00 90 A 7.40 3.69 0.39 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 91 V 7.61 3.40 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 0.97 0.00 0.00 0.89 0.00 0.00 92 E 8.57 3.98 0.00 2.02 1.96 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 2.46 2.44 0.00 93 A 8.02 3.99 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 94 M 7.95 4.07 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.94 0.00 95 K 8.01 3.97 0.00 1.74 1.98 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 A 7.95 4.28 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 97 G 7.70 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.64 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 99 V 8.45 3.74 2.12 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 0.70 0.00 0.00 0.76 0.00 0.00 100 D 7.64 4.71 0.00 2.64 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 5.42 0.00 3.03 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 0.00 102 I 8.50 4.29 1.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.72 0.70 0.00 0.00 103 E 8.88 4.91 0.00 2.28 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 2.43 2.47 0.00 104 K 9.08 4.55 0.00 1.85 1.73 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.76 1.77 7.81 105 P 0.00 4.40 0.00 1.93 1.79 0.00 3.57 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 1.91 1.96 0.00 106 F 7.05 5.06 0.00 3.06 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 0.00 107 E 8.58 4.38 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 2.42 2.30 0.00 108 D 8.89 4.57 0.00 2.75 2.80 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 0.00 109 T 7.98 3.94 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 1.25 0.00 0.00 110 V 7.74 3.57 2.30 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 0.93 0.00 0.00 0.95 0.00 0.00 111 I 7.66 3.50 1.15 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 1.18 0.99 0.96 0.00 0.00 112 I 7.89 3.60 2.15 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 1.58 0.50 1.21 0.00 0.00 113 E 8.39 3.99 0.00 2.10 2.00 0.00 0.00 0.00 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 2.50 0.00 114 A 7.89 3.92 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 0.00 115 I 7.86 3.61 1.86 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 1.38 0.67 0.97 0.00 0.00 116 E 8.29 4.12 0.00 2.16 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 0.00 2.66 2.84 0.00 117 R 8.27 4.00 0.00 2.17 1.91 0.00 3.13 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 1.61 1.68 0.00 118 A 8.35 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 3.83 0.00 2.72 3.35 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 0.00 120 E 7.58 4.07 0.00 2.03 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 2.30 2.34 0.00 121 H 7.84 4.44 0.00 3.26 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 6.92 4.39 0.00 1.81 1.59 0.82 1.00 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 0.00 123 V 8.22 3.84 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.