NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2631 8.3144 120.1355 55.6288 33.8511 175.1194 2 E 3.7463 8.5911 122.4239 55.2667 30.0394 175.3969 3 T 4.3447 8.7249 118.2881 61.0869 72.1542 175.0458 4 A 3.9997 8.5276 123.2545 55.2692 18.4308 179.8977 5 A 4.0841 8.0049 118.4904 55.4387 18.5643 179.6156 6 A 4.0169 7.9429 118.8806 55.0808 18.3439 179.7417 7 K 4.1070 8.4370 119.9780 58.9761 32.1984 178.7215 8 F 4.0590 8.5473 121.1081 61.4192 39.3296 176.9080 9 E 4.0463 8.3806 118.0658 59.4717 29.0629 179.4085 10 R 3.8776 7.9123 117.4801 59.6484 30.2890 178.3144 11 Q 3.9503 8.1179 116.6789 58.0166 28.9679 176.3208 12 H 4.6397 7.9675 114.1288 53.9024 31.6137 173.2112 13 M 4.6399 7.9488 118.6282 53.8481 33.2217 176.6408 14 D 4.8046 9.0465 122.9496 53.0127 40.9718 175.8894 15 S 4.4267 8.3599 116.8157 60.4089 63.6074 175.8099 16 S 4.4081 7.7061 112.8284 59.6429 63.1815 174.2590 17 T 4.7356 7.4383 110.2498 60.0153 71.4898 174.1773 18 S 4.1828 8.6867 119.0944 61.1644 63.2990 173.7450 19 A 3.7758 6.9279 119.6554 50.8603 21.3676 175.1946 20 A 3.4398 8.5674 124.1157 52.0145 18.5208 178.1743 21 S 4.5406 8.4864 117.1390 58.6183 64.5091 173.8846 22 S 4.6903 7.5116 114.9086 56.6093 65.5963 174.9953 23 S 4.2549 8.6272 115.4397 60.9447 62.9235 174.7763 24 N 4.6809 8.0835 117.3836 53.6936 38.9794 176.0295 25 Y 4.0071 8.1253 120.6758 61.1414 38.7028 177.5284 26 C 4.1564 8.3726 116.9926 60.0621 37.2789 175.7563 27 N 4.4152 8.2453 117.4349 56.6094 38.1321 177.2932 28 Q 3.9192 8.0128 119.0434 59.3001 28.7846 178.8680 29 M 3.8230 7.6388 121.2477 57.8428 31.8248 178.6860 30 M 4.0223 8.1172 119.2951 58.1410 31.9984 178.8064 31 K 3.9249 7.7146 119.7454 59.6304 32.4169 179.1638 32 S 4.1163 8.1673 114.5219 61.0238 62.4871 175.5011 33 R 4.4074 7.8251 119.3481 55.1111 29.9975 175.8605 34 N 4.2757 7.9632 114.8518 54.4704 35.7534 175.3002 35 L 4.2770 8.0193 118.6725 56.1258 42.1359 178.4248 36 T 5.3532 7.5460 106.8375 60.5904 69.2158 175.3818 37 K 4.1991 8.3674 122.7531 60.0150 32.1068 177.7726 38 D 4.6799 7.8109 115.6713 54.9517 42.0588 176.2596 39 R 3.9059 7.2150 113.1406 55.4780 31.2028 174.3360 40 C 4.6372 8.8990 116.9067 55.9514 39.8774 173.8824 41 K 4.1727 8.0751 124.4482 55.8358 32.4915 174.6668 42 P 4.7350 0.0000 0.0000 65.5326 32.1510 176.3556 43 V 5.1068 7.5237 115.7239 61.7153 35.0138 173.6494 44 N 4.6421 8.8057 121.6893 52.8975 42.5756 173.0822 45 T 4.8456 7.7555 120.5712 61.6870 71.8506 172.7897 46 F 4.7625 8.9472 124.9935 55.7860 41.8711 174.8054 47 V 4.5592 9.1044 122.6069 61.1532 33.6428 175.5743 48 H 5.1936 8.7121 128.0671 53.6008 26.2875 173.1094 49 E 4.7754 7.6658 118.3279 53.4691 34.6129 176.1909 50 S 4.3749 8.3810 114.8669 58.0946 65.1213 174.7597 51 L 3.9811 8.6070 125.1187 58.5295 41.8628 179.1515 52 A 4.1672 8.0586 120.0075 55.5878 18.0843 179.2554 53 D 4.3591 7.7543 116.0644 57.2812 41.2439 178.8563 54 V 3.8170 7.6568 118.5547 65.9482 31.6688 178.1588 55 Q 3.8887 8.6583 118.0553 58.7496 28.5267 178.5399 56 A 4.0117 8.1108 121.6599 54.7622 18.2408 179.6865 57 V 3.4741 7.5105 116.5700 65.8930 31.2988 176.9164 58 C 3.7899 7.7154 114.6911 57.9017 39.8520 174.0479 59 S 4.6736 7.5502 114.3969 57.8849 63.9052 174.7309 60 Q 4.1091 7.3756 120.9893 55.9194 27.6030 177.5974 61 K 4.2271 8.0268 130.7871 57.3317 32.9351 175.3084 62 N 4.4779 8.7870 127.5103 53.3775 39.3709 174.4146 63 V 4.5887 8.4713 118.2547 59.3529 36.8344 174.5891 64 A 4.2635 8.3944 125.3600 52.0904 19.0299 178.5809 65 C 4.6503 9.2082 120.2349 56.1059 41.1168 174.9742 66 K 3.7287 9.1528 122.9137 59.5209 31.6551 177.2147 67 N 4.5852 8.0543 113.2551 52.8525 37.6159 175.5220 68 G 3.9890 8.1888 108.6900 45.5601 0.0000 174.5196 69 Q 4.1012 8.3790 119.2372 56.6877 29.1574 176.9153 70 T 4.5337 8.3700 109.8132 61.6576 69.2809 173.9874 71 N 4.9696 7.8864 118.5027 53.6700 38.6675 174.9484 72 C 5.3489 7.4610 116.1671 56.8640 43.9737 172.4881 73 Y 5.1677 8.9553 118.1410 56.5518 42.2328 173.8958 74 Q 5.1541 9.1780 124.4307 53.9505 31.8400 174.8962 75 S 4.4093 8.7266 121.5459 58.6624 63.2143 174.1097 76 Y 4.4554 9.2376 122.2376 60.8413 37.8170 176.3870 77 S 4.9898 7.8490 112.2737 56.5327 64.8407 173.6125 78 T 4.3329 8.2200 112.8576 61.7768 69.9457 173.6488 79 M 5.0514 9.0378 121.1418 53.5053 37.1386 174.5620 80 S 4.9266 9.2548 117.3381 58.2588 63.5780 173.0885 81 I 5.2425 9.0311 120.3683 59.4755 41.6511 174.2495 82 T 5.0422 8.8451 119.3295 62.0311 71.8297 172.7352 83 D 5.0315 9.5143 127.0654 53.2423 43.1193 174.8300 84 C 5.6459 9.3062 120.8079 55.2007 41.7793 173.0598 85 R 5.2765 8.9071 123.0586 54.2722 33.2915 174.1039 86 E 4.0311 8.9697 125.9195 57.2676 30.2870 176.8959 87 T 4.2829 8.4140 118.4881 60.6415 69.0256 175.8883 88 G 3.6386 8.6853 112.9500 48.3642 0.0000 174.6810 89 S 4.4176 7.2880 114.1893 58.4405 63.1559 174.1843 90 S 4.1005 7.6255 117.1446 57.8327 62.5006 173.4431 91 K 4.4526 8.7278 128.7458 54.6589 34.7630 174.5503 92 Y 4.1885 8.8365 127.5691 57.7869 38.9503 174.1902 93 P 3.0496 0.0000 0.0000 63.0869 32.4357 176.7622 94 N 4.6039 7.9051 120.0889 52.1804 36.9588 173.2944 95 C 4.5846 7.8621 116.7037 56.6334 42.8832 173.3259 96 A 5.0818 8.4878 125.2814 50.3704 21.8935 174.5313 97 Y 5.1830 9.8333 118.5379 56.0701 42.5195 174.7592 98 K 4.5426 9.4599 123.9144 55.4930 34.1178 175.1746 99 T 5.0365 8.5791 124.2180 62.7554 70.1457 174.3474 100 T 4.5441 8.8451 122.5149 61.8398 72.0684 172.9397 101 Q 4.7656 8.7576 127.9162 55.6841 30.4165 174.2814 102 A 4.5505 8.6148 125.5475 51.4811 23.7413 174.7819 103 N 5.3660 8.6935 115.6673 51.8105 41.1909 174.3546 104 K 4.7573 8.8654 122.3625 54.8353 37.6259 175.6578 105 H 4.8893 8.7944 118.1841 55.7085 30.2276 174.7187 106 I 4.9331 8.7635 114.5410 59.2258 41.1151 174.2986 107 I 4.8963 8.2213 123.8395 59.7165 40.2571 175.1485 108 V 4.8285 8.7404 119.2009 59.4088 36.1336 174.2451 109 A 5.1542 8.8282 124.3913 50.7942 21.0269 175.5801 110 C 5.2771 8.4405 118.6658 55.2711 37.9334 173.0429 111 E 4.7460 8.6688 117.7873 56.9754 33.1711 175.7916 112 G 4.1870 9.6528 107.7371 44.8571 0.0000 171.6807 113 N 5.0323 8.2262 116.6911 50.9754 40.7094 172.4596 114 P 4.2689 0.0000 0.0000 63.0722 31.7311 175.9146 115 Y 4.8840 8.3480 121.6917 57.3197 38.5174 174.4874 116 V 4.3935 8.0466 118.8761 58.1033 36.3061 173.3868 117 P 4.5468 0.0000 0.0000 62.9077 31.1714 177.1007 118 V 4.5146 8.6176 114.7788 61.0808 33.9846 175.2221 119 H 5.0542 7.9791 119.8778 54.8719 33.4795 171.6109 120 F 4.6537 8.7321 127.9918 57.4315 39.5059 174.4169 121 D 4.5846 8.4351 126.8922 55.9514 42.0056 175.7626 122 A 4.5679 6.3272 117.5838 51.5877 22.3740 174.8373 123 S 5.1328 8.8420 113.1080 56.7481 65.9359 174.7047 124 V 4.1567 8.8756 115.6186 61.6704 32.0257 175.3573 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 4.26 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 E 8.59 3.75 0.00 2.09 1.86 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 2.40 2.38 0.00 3 T 8.72 4.34 4.26 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 1.22 0.00 0.00 4 A 8.53 4.00 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 5 A 8.00 4.08 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 6 A 7.94 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 7 K 8.44 4.11 0.00 1.96 2.06 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.31 7.81 8 F 8.55 4.06 0.00 3.17 3.28 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 0.00 9 E 8.38 4.05 0.00 2.33 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 2.50 2.67 0.00 10 R 7.91 3.88 0.00 1.81 2.09 0.00 3.25 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 8.12 3.95 0.00 1.44 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 12 H 7.97 4.64 0.00 2.10 2.67 0.00 5.61 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 7.95 4.64 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.73 0.00 14 D 9.05 4.80 0.00 2.71 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 15 S 8.36 4.43 0.00 3.93 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 7.71 4.41 0.00 4.04 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 17 T 7.44 4.74 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 1.27 0.00 0.00 18 S 8.69 4.18 0.00 3.83 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 19 A 6.93 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.57 3.44 0.74 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 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.49 4.54 0.00 3.96 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 22 S 7.51 4.69 0.00 3.98 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 23 S 8.63 4.25 0.00 4.03 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 24 N 8.08 4.68 0.00 2.83 3.02 0.00 0.00 6.43 6.78 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 25 Y 8.13 4.01 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 26 C 8.37 4.16 0.00 3.17 3.14 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 0.00 0.00 0.00 27 N 8.25 4.42 0.00 2.91 2.92 0.00 0.00 7.09 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 28 Q 8.01 3.92 0.00 2.20 1.95 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 2.30 2.38 0.00 29 M 7.64 3.82 0.00 0.74 1.04 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.47 0.00 30 M 8.12 4.02 0.00 1.72 1.92 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.46 0.00 31 K 7.71 3.92 0.00 1.95 1.75 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.57 7.81 32 S 8.17 4.12 0.00 4.01 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 33 R 7.83 4.41 0.00 1.93 2.10 0.00 3.64 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 1.66 1.95 0.00 34 N 7.96 4.28 0.00 2.87 2.92 0.00 0.00 6.91 7.37 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 35 L 8.02 4.28 0.00 1.79 1.64 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.55 5.35 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 8.37 4.20 0.00 1.79 1.97 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.57 7.81 38 D 7.81 4.68 0.00 2.64 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 39 R 7.22 3.91 0.00 1.82 1.79 0.00 2.92 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 40 C 8.90 4.64 0.00 3.10 3.19 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 41 K 8.08 4.17 0.00 1.93 1.79 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.43 7.81 42 P 0.00 4.73 0.00 2.15 2.13 0.00 3.65 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 2.14 2.13 0.00 43 V 7.52 5.11 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 0.81 0.00 0.00 0.98 0.00 0.00 44 N 8.81 4.64 0.00 2.61 2.23 0.00 0.00 7.14 6.81 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 45 T 7.76 4.85 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 0.94 0.00 0.00 46 F 8.95 4.76 0.00 3.00 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 9.10 4.56 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 1.15 0.00 0.00 1.00 0.00 0.00 48 H 8.71 5.19 0.00 3.13 3.42 0.00 5.64 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 7.67 4.78 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 2.27 2.29 0.00 50 S 8.38 4.37 0.00 4.07 4.01 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 51 L 8.61 3.98 0.00 1.83 1.75 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.06 4.17 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 7.75 4.36 0.00 2.78 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 54 V 7.66 3.82 2.31 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 1.22 0.00 0.00 1.11 0.00 0.00 55 Q 8.66 3.89 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 56 A 8.11 4.01 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 57 V 7.51 3.47 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 1.05 0.00 0.00 0.94 0.00 0.00 58 C 7.72 3.79 0.00 2.85 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 59 S 7.55 4.67 0.00 3.91 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 60 Q 7.38 4.11 0.00 1.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 1.70 2.15 0.00 61 K 8.03 4.23 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 N 8.79 4.48 0.00 2.76 2.65 0.00 0.00 7.01 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 8.47 4.59 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 0.67 0.00 0.00 0.83 0.00 0.00 64 A 8.39 4.26 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 9.21 4.65 0.00 3.12 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 66 K 9.15 3.73 0.00 1.87 1.85 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.39 7.81 67 N 8.05 4.59 0.00 2.86 2.89 0.00 0.00 6.29 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 8.19 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 0.00 0.00 0.00 69 Q 8.38 4.10 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 70 T 8.37 4.53 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 1.17 0.00 0.00 71 N 7.89 4.97 0.00 2.97 3.14 0.00 0.00 6.09 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 7.46 5.35 0.00 3.06 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 73 Y 8.96 5.17 0.00 2.79 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 74 Q 9.18 5.15 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 75 S 8.73 4.41 0.00 4.01 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 76 Y 9.24 4.46 0.00 2.99 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 77 S 7.85 4.99 0.00 3.96 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 78 T 8.22 4.33 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 1.02 0.00 0.00 79 M 9.04 5.05 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 S 9.25 4.93 0.00 3.91 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 81 I 9.03 5.24 1.95 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 1.37 0.79 1.01 0.00 0.00 82 T 8.85 5.04 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 1.26 0.00 0.00 83 D 9.51 5.03 0.00 2.66 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 84 C 9.31 5.65 0.00 2.85 2.88 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 85 R 8.91 5.28 0.00 1.94 1.78 0.00 3.14 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 86 E 8.97 4.03 0.00 1.99 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 1.98 1.92 0.00 87 T 8.41 4.28 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 88 G 8.69 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 89 S 7.29 4.42 0.00 4.04 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 90 S 7.63 4.10 0.00 3.80 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 91 K 8.73 4.45 0.00 1.83 1.58 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.44 7.81 92 Y 8.84 4.19 0.00 2.98 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 93 P 0.00 3.05 0.00 1.77 1.27 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 94 N 7.91 4.60 0.00 2.81 2.76 0.00 0.00 6.96 8.23 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 95 C 7.86 4.58 0.00 3.14 3.06 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 96 A 8.49 5.08 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 9.83 5.18 0.00 2.90 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 9.46 4.54 0.00 1.88 1.90 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.50 7.81 99 T 8.58 5.04 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 1.29 0.00 0.00 100 T 8.85 4.54 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 4.77 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 102 A 8.61 4.55 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 8.69 5.37 0.00 2.57 2.73 0.00 0.00 6.65 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 8.87 4.76 0.00 1.73 1.70 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 8.79 4.89 0.00 3.11 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.76 4.93 1.81 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 1.29 0.73 1.15 0.00 0.00 107 I 8.22 4.90 1.67 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 1.15 0.70 0.85 0.00 0.00 108 V 8.74 4.83 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 0.78 0.00 0.00 0.83 0.00 0.00 109 A 8.83 5.15 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 8.44 5.28 0.00 1.89 1.73 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 0.00 111 E 8.67 4.75 0.00 2.06 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 2.09 2.19 0.00 112 G 9.65 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 0.00 0.00 0.00 0.00 113 N 8.23 5.03 0.00 2.65 2.69 0.00 0.00 6.88 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 4.27 0.00 2.22 2.06 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 8.35 4.88 0.00 2.81 2.91 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 0.00 116 V 8.05 4.39 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 0.77 0.00 0.00 0.83 0.00 0.00 117 P 0.00 4.55 0.00 0.49 1.11 0.00 3.26 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 118 V 8.62 4.51 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 0.63 0.00 0.00 0.94 0.00 0.00 119 H 7.98 5.05 0.00 3.22 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.73 4.65 0.00 2.67 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 0.00 121 D 8.44 4.58 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 6.33 4.57 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 0.00 123 S 8.84 5.13 0.00 3.96 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 0.00 124 V 8.88 4.16 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 0.66 0.00 0.00 0.95 0.00 0.00