NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2881 8.3144 122.1420 53.6736 33.4734 175.0010 2 E 3.8247 8.6593 119.4481 55.7994 29.9453 176.1105 3 T 4.1928 8.7526 118.4854 61.2456 72.0958 174.8875 4 A 3.9656 8.5081 123.3722 55.2887 18.5061 179.9558 5 A 3.9320 7.9768 118.5525 55.2813 18.5777 179.5126 6 A 4.0049 8.1170 119.3320 55.1419 18.3554 179.7257 7 K 3.8795 8.3374 118.2849 59.6014 32.2939 178.6987 8 F 4.0505 8.3410 120.8914 61.3794 39.2814 176.9260 9 E 4.0364 8.2774 117.6678 59.4296 29.0673 179.3439 10 R 3.8650 7.8580 117.4536 59.6530 30.2709 178.2894 11 Q 3.9940 7.9857 116.5524 58.0773 29.0185 176.3172 12 H 4.6626 7.9288 113.7041 53.7588 31.5899 173.1039 13 M 4.7529 7.9389 118.6908 53.7830 33.4491 176.3795 14 D 4.7859 9.0382 123.0085 52.9204 41.5203 175.7027 15 S 4.3943 8.5169 117.4525 60.0438 63.6850 176.0145 16 S 4.2871 7.8761 115.3698 60.4405 62.7703 174.4374 17 T 4.6753 7.6538 108.7820 59.5951 70.9814 174.0841 18 S 4.3125 8.4422 116.6719 59.9930 63.9141 173.5944 19 A 4.2460 7.4614 120.9807 50.2318 21.5932 174.5012 20 A 3.1189 8.7957 125.9288 52.8447 18.0528 178.6873 21 S 4.2212 8.1392 118.7472 61.3180 62.5119 171.6328 22 S 4.6646 7.6040 112.8323 56.7538 65.3525 174.9922 23 S 4.1642 8.8162 117.0213 61.8074 62.7768 175.7138 24 N 4.6176 8.1261 116.7505 53.3231 38.0387 180.6925 25 Y 4.1060 8.0304 118.2093 62.2170 38.5894 177.6954 26 C 4.1344 8.4870 116.7424 60.0450 38.6377 175.7100 27 N 4.3761 8.2947 117.5223 56.5969 38.1508 177.0476 28 Q 3.7682 7.8054 120.1759 59.5387 29.1949 178.1403 29 M 3.8709 7.6334 121.1564 57.7277 31.8722 178.6133 30 M 4.0182 8.0554 119.2482 58.0823 32.0248 178.8358 31 K 4.0268 7.8005 120.9362 59.0624 32.3811 179.2450 32 S 4.1791 8.0204 114.3690 60.8795 62.6061 175.4549 33 R 4.3840 7.6570 119.6429 55.1791 30.0380 175.7762 34 N 4.2443 7.9386 114.8520 54.7230 36.2098 174.7956 35 L 4.5512 8.0483 116.0603 54.9579 42.3224 177.8241 36 T 5.5348 7.5278 107.3485 60.3696 69.4989 175.8412 37 K 4.1065 8.4521 124.2026 59.9893 32.3296 177.5662 38 D 4.6661 7.8465 115.7224 55.0720 41.9160 175.8671 39 R 3.7343 7.2632 113.6594 55.5433 31.3884 174.1631 40 C 4.7634 8.7469 116.1600 55.4973 39.6855 173.9328 41 K 4.1119 8.2974 127.2585 56.0120 32.3201 175.1380 42 P 4.6290 0.0000 0.0000 65.5792 32.5686 176.5656 43 V 5.1812 7.5954 111.1576 60.0167 35.8164 174.0979 44 N 4.7340 8.9211 120.7927 52.8433 42.5519 173.0228 45 T 4.8474 7.9365 120.8042 61.6551 71.7839 172.8778 46 F 4.9115 8.8853 124.3201 55.6591 42.1243 174.6097 47 V 4.5370 8.7668 122.9942 61.0331 33.4479 175.7545 48 H 5.5850 8.4913 128.3497 53.9683 26.2264 173.3375 49 E 4.8168 7.6946 117.6874 53.2798 34.5327 176.6550 50 S 4.3621 8.3592 114.9012 58.2759 64.9268 174.9689 51 L 3.9992 8.5342 124.4493 58.3807 41.9236 179.1418 52 A 4.0017 8.0100 120.1829 55.4587 18.1402 179.2394 53 D 4.3578 7.8339 115.8205 57.3304 41.1379 178.8996 54 V 3.8125 7.7800 118.4987 66.0329 31.7160 178.1349 55 Q 3.9206 8.4977 117.9475 58.8160 28.5093 178.5905 56 A 4.0852 8.0299 121.3682 54.5135 18.3054 179.6494 57 V 3.5610 7.6144 117.0913 65.9751 31.3123 177.0160 58 C 3.8068 7.8095 114.8673 58.1133 39.9109 174.2054 59 S 4.6675 7.5376 114.0749 57.9755 63.8162 174.8513 60 Q 4.5416 7.4873 122.4794 56.1759 27.4969 177.0113 61 K 4.2453 7.9478 129.5556 56.7107 33.0378 175.6279 62 N 4.5864 8.7996 127.4518 53.6376 39.3373 174.3554 63 V 4.5895 8.3665 118.1169 59.0947 36.7370 174.8569 64 A 4.1540 8.4031 125.4665 52.2358 19.0573 178.6875 65 C 4.6697 8.7061 120.1298 56.2955 40.9992 175.2600 66 K 3.6895 8.8186 122.2685 59.4302 31.6703 177.9694 67 N 4.5234 8.0685 113.5135 52.8680 37.6647 175.9061 68 G 3.9375 8.1256 108.3586 45.5219 0.0000 174.1988 69 Q 4.2007 8.5830 119.5396 56.3303 29.2375 176.5102 70 T 4.6472 8.3184 108.5012 61.6590 69.2169 173.9589 71 N 4.9842 7.8476 118.6735 53.8528 38.5422 174.7998 72 C 5.3925 7.3545 116.3516 56.7029 43.4690 172.8099 73 Y 5.0885 8.7526 118.7183 56.3376 42.0064 173.8733 74 Q 5.1450 9.0180 125.4875 53.9872 31.3240 174.9003 75 S 4.4164 8.5879 121.8463 58.7323 63.1714 174.3243 76 Y 4.3983 8.9172 121.3219 60.7848 37.9331 176.7669 77 S 4.7911 7.8516 114.0381 57.0737 64.6719 173.8141 78 T 4.2649 8.0533 112.4293 62.1597 69.6879 173.4802 79 M 5.0563 8.9594 121.7538 53.4923 37.0016 174.4951 80 S 4.8960 9.1989 116.8683 58.0734 63.6412 173.0927 81 I 5.1379 8.8836 120.2346 59.3936 41.5217 174.3128 82 T 5.0902 8.8897 119.7684 62.0071 71.6896 172.8741 83 D 5.0701 9.1417 127.1941 53.6293 42.9314 174.8035 84 C 5.6401 9.2735 120.7935 55.1987 44.5083 172.9788 85 R 5.2799 8.7517 123.3577 54.1892 33.2537 173.8045 86 E 4.1592 8.9586 128.3407 56.4244 29.9277 176.7576 87 T 4.1917 8.5304 117.7938 60.8452 70.3296 176.1054 88 G 3.5928 8.6602 111.0031 48.5955 0.0000 175.3575 89 S 4.1718 7.4369 113.2670 59.9449 63.3511 174.5799 90 S 3.9836 7.5441 119.0235 58.9885 62.4252 174.1544 91 K 4.5444 8.4423 127.7086 52.5908 34.9510 171.6911 92 Y 4.3091 8.8295 125.8410 56.7433 38.9944 174.1255 93 P 3.4227 0.0000 0.0000 62.8638 31.7502 176.7445 94 N 4.6438 7.8864 119.8478 52.2593 36.9833 173.1612 95 C 4.4730 7.8965 117.1804 56.5362 42.9078 173.2550 96 A 5.0899 8.2671 124.4479 50.4625 22.1754 174.5837 97 Y 5.2228 9.3445 120.7347 56.7330 42.0946 175.8866 98 K 4.5308 9.0204 126.0652 54.7865 33.7716 175.6242 99 T 4.8318 8.5464 121.0345 61.7531 70.0885 174.1731 100 T 4.6522 8.7884 123.2515 61.6898 71.9445 172.7340 101 Q 5.0335 8.7626 127.0298 54.6703 30.9445 174.0966 102 A 4.7531 8.8891 126.2179 50.8460 23.7720 174.5430 103 N 5.3841 8.6990 115.7936 51.7827 40.7978 174.3603 104 K 4.7573 8.7794 122.3963 54.8131 37.6333 175.5156 105 H 4.8381 9.2104 119.4190 55.7930 29.9862 174.9454 106 I 4.6660 8.5161 115.8769 59.4760 40.4679 174.4539 107 I 4.8890 8.1861 124.7036 59.7058 39.9049 175.0577 108 V 4.7856 8.5031 119.5186 59.3189 35.7383 174.5448 109 A 4.9812 8.7436 125.1621 51.1912 20.5746 175.7533 110 C 5.1665 8.7357 118.4148 55.3376 38.9813 173.3128 111 E 4.7228 8.5522 119.8188 55.8466 34.2010 174.8669 112 G 4.1074 9.6126 106.9809 45.0268 0.0000 172.1827 113 N 4.7809 8.1589 115.9658 50.6217 40.3320 172.0837 114 P 4.3895 0.0000 0.0000 62.6290 32.1481 175.5035 115 Y 4.8242 8.2596 121.1097 56.6407 38.9947 174.7276 116 V 4.4551 8.1261 119.3417 58.5241 36.6980 173.4478 117 P 4.3589 0.0000 0.0000 62.9366 30.9533 176.7838 118 V 4.3592 8.4305 116.1405 61.5755 34.2141 175.5102 119 H 5.2193 7.8979 115.9116 54.3315 33.5638 171.9643 120 F 4.7811 8.9825 123.7280 57.3413 39.8325 174.4824 121 D 4.6534 8.4491 126.5211 55.9274 42.0479 175.7515 122 A 4.6411 6.6278 117.1946 51.3977 22.4991 174.7509 123 S 5.2046 8.7720 113.0377 56.8114 66.3320 174.6764 124 V 4.1473 8.7794 114.3628 61.8099 32.7193 175.1492 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 8.31 4.29 0.00 1.79 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 2 E 8.66 3.82 0.00 2.01 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 2.31 2.37 0.00 3 T 8.75 4.19 4.25 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 1.22 0.00 0.00 4 A 8.51 3.97 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 5 A 7.98 3.93 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 6 A 8.12 4.00 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 7 K 8.34 3.88 0.00 1.95 2.03 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 F 8.34 4.05 0.00 3.16 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 9 E 8.28 4.04 0.00 2.30 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 0.00 2.51 2.69 0.00 10 R 7.86 3.86 0.00 1.81 2.08 0.00 3.35 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.99 3.99 0.00 1.59 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 12 H 7.93 4.66 0.00 2.04 2.66 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.94 4.75 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 14 D 9.04 4.79 0.00 2.75 2.59 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 15 S 8.52 4.39 0.00 3.94 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 16 S 7.88 4.29 0.00 3.92 3.93 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 17 T 7.65 4.68 4.11 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 1.23 0.00 0.00 18 S 8.44 4.31 0.00 3.97 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 19 A 7.46 4.25 1.16 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 20 A 8.80 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.14 4.22 0.00 3.64 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 22 S 7.60 4.66 0.00 3.97 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 23 S 8.82 4.16 0.00 4.03 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 0.00 24 N 8.13 4.62 0.00 2.71 2.85 0.00 0.00 6.45 6.91 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 25 Y 8.03 4.11 0.00 3.12 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 26 C 8.49 4.13 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 27 N 8.29 4.38 0.00 2.92 2.92 0.00 0.00 6.73 7.74 0.00 0.00 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 Q 7.81 3.77 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 29 M 7.63 3.87 0.00 0.95 1.19 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.65 0.00 30 M 8.06 4.02 0.00 1.67 1.85 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.40 0.00 31 K 7.80 4.03 0.00 1.88 1.89 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.02 4.18 0.00 4.03 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 33 R 7.66 4.38 0.00 1.93 2.11 0.00 3.59 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 34 N 7.94 4.24 0.00 2.89 2.93 0.00 0.00 6.84 7.33 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 35 L 8.05 4.55 0.00 1.80 1.63 0.81 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.53 5.53 4.38 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 1.40 0.00 0.00 37 K 8.45 4.11 0.00 1.78 1.92 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 38 D 7.85 4.67 0.00 2.69 2.65 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 39 R 7.26 3.73 0.00 1.80 1.79 0.00 2.89 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 40 C 8.75 4.76 0.00 3.11 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 41 K 8.30 4.11 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.40 7.81 42 P 0.00 4.63 0.00 2.19 2.32 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 43 V 7.60 5.18 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 0.72 0.00 0.00 0.96 0.00 0.00 44 N 8.92 4.73 0.00 2.62 2.28 0.00 0.00 6.97 7.03 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 45 T 7.94 4.85 2.97 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 0.86 0.00 0.00 46 F 8.89 4.91 0.00 2.97 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 47 V 8.77 4.54 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 1.06 0.00 0.00 1.00 0.00 0.00 48 H 8.49 5.58 0.00 3.06 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.69 4.82 0.00 1.95 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 2.25 2.27 0.00 50 S 8.36 4.36 0.00 4.07 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 51 L 8.53 4.00 0.00 1.83 1.74 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.01 4.00 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 53 D 7.83 4.36 0.00 2.87 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 54 V 7.78 3.81 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 1.23 0.00 0.00 1.05 0.00 0.00 55 Q 8.50 3.92 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 56 A 8.03 4.09 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 57 V 7.61 3.56 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 0.98 0.00 0.00 0.95 0.00 0.00 58 C 7.81 3.81 0.00 2.90 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 59 S 7.54 4.67 0.00 3.96 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 60 Q 7.49 4.54 0.00 1.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 61 K 7.95 4.25 0.00 1.55 1.61 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 62 N 8.80 4.59 0.00 2.80 2.67 0.00 0.00 7.00 7.71 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 63 V 8.37 4.59 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 0.65 0.00 0.00 0.79 0.00 0.00 64 A 8.40 4.15 1.19 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 65 C 8.71 4.67 0.00 3.16 2.97 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 66 K 8.82 3.69 0.00 1.72 1.87 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 67 N 8.07 4.52 0.00 2.79 2.90 0.00 0.00 6.21 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 68 G 8.13 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 69 Q 8.58 4.20 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 70 T 8.32 4.65 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 1.18 0.00 0.00 71 N 7.85 4.98 0.00 3.08 3.16 0.00 0.00 6.05 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 72 C 7.35 5.39 0.00 2.90 2.86 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 73 Y 8.75 5.09 0.00 2.82 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 74 Q 9.02 5.14 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 75 S 8.59 4.42 0.00 3.93 3.85 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 76 Y 8.92 4.40 0.00 3.07 3.02 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 77 S 7.85 4.79 0.00 3.91 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 78 T 8.05 4.26 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 1.04 0.00 0.00 79 M 8.96 5.06 0.00 1.97 1.99 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 2.54 2.49 0.00 80 S 9.20 4.90 0.00 3.93 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 81 I 8.88 5.14 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.99 0.00 0.00 82 T 8.89 5.09 4.38 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 1.33 0.00 0.00 83 D 9.14 5.07 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.27 5.64 0.00 2.83 2.86 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 85 R 8.75 5.28 0.00 1.97 1.79 0.00 3.21 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 86 E 8.96 4.16 0.00 2.18 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 0.00 1.99 1.71 0.00 87 T 8.53 4.19 4.21 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 1.21 0.00 0.00 88 G 8.66 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 0.00 0.00 0.00 89 S 7.44 4.17 0.00 3.80 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 90 S 7.54 3.98 0.00 3.81 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 91 K 8.44 4.54 0.00 1.69 1.60 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.23 7.81 92 Y 8.83 4.31 0.00 2.89 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 93 P 0.00 3.42 0.00 1.82 1.25 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 94 N 7.89 4.64 0.00 2.89 2.76 0.00 0.00 7.00 7.45 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 95 C 7.90 4.47 0.00 3.12 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 96 A 8.27 5.09 1.12 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 97 Y 9.34 5.22 0.00 2.84 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 98 K 9.02 4.53 0.00 1.45 1.67 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.28 7.81 99 T 8.55 4.83 4.32 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 1.33 0.00 0.00 100 T 8.79 4.65 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 1.23 0.00 0.00 101 Q 8.76 5.03 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 102 A 8.89 4.75 1.23 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 0.00 0.00 103 N 8.70 5.38 0.00 2.56 2.74 0.00 0.00 6.67 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 0.00 104 K 8.78 4.76 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.21 4.84 0.00 3.16 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.52 4.67 1.88 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 1.28 0.79 1.13 0.00 0.00 107 I 8.19 4.89 1.74 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 1.12 0.72 0.82 0.00 0.00 108 V 8.50 4.79 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 0.73 0.00 0.00 0.83 0.00 0.00 109 A 8.74 4.98 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 0.00 110 C 8.74 5.17 0.00 1.99 1.70 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 0.00 111 E 8.55 4.72 0.00 1.85 1.80 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 2.27 2.24 0.00 112 G 9.61 4.11 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 0.00 0.00 0.00 113 N 8.16 4.78 0.00 2.63 2.71 0.00 0.00 6.96 7.69 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 0.00 114 P 0.00 4.39 0.00 2.23 2.05 0.00 3.82 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 1.99 1.96 0.00 115 Y 8.26 4.82 0.00 2.81 2.86 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 0.00 116 V 8.13 4.46 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 0.64 0.00 0.00 0.88 0.00 0.00 117 P 0.00 4.36 0.00 0.49 1.13 0.00 3.34 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 118 V 8.43 4.36 1.90 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 0.63 0.00 0.00 0.88 0.00 0.00 119 H 7.90 5.22 0.00 3.08 3.20 0.00 5.60 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 0.00 120 F 8.98 4.78 0.00 2.72 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 0.00 121 D 8.45 4.65 0.00 2.57 2.50 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 0.00 122 A 6.63 4.64 1.15 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 0.00 0.00 123 S 8.77 5.20 0.00 3.95 4.06 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 0.00 124 V 8.78 4.15 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 0.68 0.00 0.00 0.93 0.00 0.00