NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1156 8.1127 120.8605 56.8747 29.9266 175.5014 3 V 3.3080 8.2367 121.2981 60.9207 30.5123 170.9900 4 K 4.2269 8.5369 118.7227 58.1351 34.1010 176.5087 5 M 3.9859 7.5814 119.2368 56.3512 32.4659 175.1963 6 H 4.7094 9.0811 114.1884 55.6891 32.1300 175.9804 7 V 2.4984 8.1875 107.3975 61.3193 32.4213 178.5126 8 K 4.3042 8.7446 127.6404 57.3049 34.2434 174.6372 9 K 4.2658 7.2055 114.9492 57.4041 35.7099 175.6345 10 G 4.0842 8.5737 104.5786 45.7728 0.0000 172.0220 11 D 4.4374 7.3724 128.0672 53.0798 40.9127 175.7846 12 T 4.6700 8.7118 115.6521 61.7510 70.5098 173.5942 13 V 4.6192 8.2406 117.8100 59.7979 36.8864 173.6690 14 L 4.7897 8.6712 122.1492 53.6001 45.4033 175.2850 15 V 4.7470 7.9865 121.5036 61.6561 33.9436 175.7602 16 A 4.3061 8.6160 121.1483 53.6442 22.4655 177.7086 17 S 3.8952 8.7642 109.2592 60.1944 62.2428 174.4577 18 G 3.8587 7.6926 113.5240 45.6112 0.0000 174.2791 19 K 3.9412 8.3418 123.6910 57.4533 33.0591 177.2494 20 Y 4.5672 7.6208 114.1437 58.1466 40.1120 174.5359 21 K 3.9642 8.2588 122.0012 58.2481 32.4644 177.1530 22 G 4.0615 8.9412 113.8834 45.7709 0.0000 173.6448 23 R 4.3506 7.6332 118.6479 56.3256 31.5926 175.6895 24 V 4.6758 7.8919 118.7558 61.9316 34.9804 173.6715 25 G 4.0235 8.2334 111.6136 45.1227 0.0000 173.9786 26 K 4.7035 8.2876 125.9709 55.2029 31.6280 176.5390 27 V 3.7923 8.6161 115.4388 62.5254 31.5455 176.3562 28 K 4.4082 8.4560 122.7655 56.5728 33.3334 176.1152 29 E 3.8796 7.9422 114.8750 57.4091 26.0710 175.0100 30 V 3.6744 7.3831 122.1468 62.9804 32.0129 174.3787 31 L 4.2316 7.2116 123.3037 54.1522 42.0698 175.4383 32 P 4.9499 0.0000 0.0000 62.4796 32.5243 177.7917 33 K 3.7986 8.4472 120.1342 60.4004 31.8624 177.8972 34 K 4.1889 8.0027 115.4225 55.7611 32.8703 174.9188 35 Y 3.5566 8.0670 118.0335 59.8696 37.3266 167.8737 36 A 5.1313 7.4414 121.6627 50.7360 23.3958 174.9733 37 V 4.3301 7.6720 112.3882 60.8139 34.3025 174.1836 38 I 4.6562 7.7386 123.1328 59.1592 45.3310 178.3083 39 V 3.6549 8.5191 126.3925 64.3649 30.3345 172.0821 40 E 4.7923 8.9388 113.6013 56.6314 35.8878 176.7718 41 G 3.6324 7.9307 108.8526 44.9207 0.0000 177.4956 42 V 3.3923 7.4511 122.4518 62.6279 31.6364 175.2103 43 N 5.4108 8.6636 118.3564 53.5342 42.1654 175.2524 44 I 3.2203 6.8305 117.7544 58.5188 37.7345 174.7728 45 V 4.2022 8.1452 122.5017 62.8242 33.4355 176.3875 46 K 4.5017 8.5078 122.8009 55.8397 31.3869 176.8421 47 K 3.4581 8.5424 127.2220 56.9885 33.5481 172.9840 48 A 3.7337 7.1450 124.3564 53.0737 17.5231 178.2978 49 V 3.8818 8.0487 119.3478 63.2285 32.2196 175.2566 50 R 4.2049 7.5799 119.1625 56.8036 29.2499 177.3661 51 V 3.4226 7.8011 121.2278 65.1907 31.7682 175.8171 52 S 5.0492 8.1439 113.1371 57.7508 64.8540 174.6562 53 P 4.0455 0.0000 0.0000 63.1796 30.0297 177.0270 54 K 3.7536 8.7188 120.4551 56.4856 32.2348 172.5817 55 Y 3.3005 8.3878 130.8860 57.6974 38.8392 168.3024 56 P 3.6095 0.0000 0.0000 62.9897 32.3222 174.6866 57 Q 4.4254 8.4032 118.1202 56.2767 28.3623 176.1239 58 G 4.3690 8.4425 104.3975 45.1170 0.0000 173.9984 59 G 4.1541 8.5362 103.5962 45.5187 0.0000 172.7799 60 F 4.9554 8.5186 114.8875 57.2066 40.0970 176.7988 61 I 3.8720 8.0328 123.6136 62.2618 37.4934 177.2245 62 E 3.7254 8.0858 118.3507 56.5187 28.2904 171.8291 63 K 4.5463 7.8619 116.7910 56.1409 36.1223 174.8131 64 E 4.4660 8.6630 118.5902 57.0416 29.4442 176.9723 65 A 4.3545 9.3253 127.2040 51.0886 18.7914 178.4550 66 P 4.2633 0.0000 0.0000 65.1482 33.0897 172.8905 67 L 3.4549 7.5518 121.4637 55.2203 42.3353 173.3371 68 H 3.7671 8.3769 119.4992 56.0610 30.7266 174.4635 69 A 4.2640 8.0381 127.2586 52.1687 18.4691 177.9132 70 S 4.7029 8.0200 110.5982 58.7849 64.1091 175.1608 71 K 4.1629 7.7088 118.7313 58.6508 32.1609 176.9085 72 V 4.7993 7.4392 111.0981 59.8954 33.9461 175.2472 73 R 4.8785 8.9327 121.0290 53.5844 34.3363 173.4179 74 P 4.7924 0.0000 0.0000 62.7913 33.4548 174.9669 75 I 4.1802 7.7177 115.2436 60.6401 40.6115 172.6337 76 C 4.3839 9.0890 124.3028 60.1646 34.5258 172.9709 77 P 4.0129 0.0000 0.0000 62.1927 28.9226 172.4531 78 A 4.9082 7.3436 133.3805 50.6966 16.9384 180.5104 79 C 4.9780 8.9789 113.0559 60.4879 32.0656 174.4066 80 G 3.6982 8.9183 111.1405 45.5364 0.0000 171.6821 81 K 3.9803 8.8855 130.5106 54.6818 32.0690 174.8364 82 P 4.5539 0.0000 0.0000 62.8474 31.6031 174.7962 83 T 4.8394 8.0733 107.5937 61.1663 72.5485 172.5935 84 R 4.7675 8.6404 119.4501 54.9172 35.0762 174.0302 85 V 4.8682 8.3153 118.0088 61.5995 34.4006 174.8703 86 R 4.7928 8.9477 127.1491 54.4771 33.4794 176.8060 87 K 3.9341 8.7299 121.5703 59.7955 31.9890 179.5338 88 K 4.0621 8.3598 117.3344 54.9533 30.1270 176.5981 89 F 3.7167 8.2420 118.8987 58.0597 37.4028 174.7105 90 L 5.2763 6.9981 123.2630 55.6044 42.9415 173.8598 91 E 4.3907 7.9321 120.5231 56.0834 34.2414 173.9248 92 N 5.0978 8.0455 122.1730 54.6016 41.9992 174.4788 93 G 4.3509 8.5146 110.6148 45.1784 0.0000 171.6657 94 K 5.6708 8.4414 120.5769 54.7933 35.0968 175.3966 95 K 4.6392 8.3388 121.8303 54.3674 35.3454 177.6134 96 I 4.3352 8.4205 124.9316 61.3375 36.8128 177.5389 97 R 4.1427 8.3654 121.7432 56.4611 29.1207 175.9461 98 V 3.3564 8.6475 125.4997 62.3431 30.1215 169.8922 99 C 4.4318 6.2718 129.2599 58.8731 35.5695 177.5349 100 A 4.0660 9.2700 134.8065 53.2626 20.3474 176.2112 101 K 3.3267 7.8048 121.6432 57.8513 32.7684 175.2301 *102 C 4.3630 8.3630 114.5356 57.9821 28.5244 170.5886 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 2 R 8.11 4.12 0.00 1.82 1.91 0.00 3.41 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 V 8.24 3.31 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 0.78 0.00 0.00 0.92 0.00 0.00 4 K 8.54 4.23 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.41 7.81 5 M 7.58 3.99 0.00 2.07 2.13 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 2.64 2.54 0.00 6 H 9.08 4.71 0.00 3.39 3.46 0.00 5.55 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.19 2.50 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 0.73 0.00 0.00 0.90 0.00 0.00 8 K 8.74 4.30 0.00 1.63 1.73 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 9 K 7.21 4.27 0.00 1.76 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.36 7.81 10 G 8.57 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 0.00 0.00 0.00 11 D 7.37 4.44 0.00 2.84 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 12 T 8.71 4.67 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 13 V 8.24 4.62 2.27 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 0.73 0.00 0.00 0.90 0.00 0.00 14 L 8.67 4.79 0.00 1.74 1.46 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.99 4.75 2.33 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.62 4.31 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 17 S 8.76 3.90 0.00 4.05 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 18 G 7.69 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 19 K 8.34 3.94 0.00 1.67 1.86 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.40 1.15 7.81 20 Y 7.62 4.57 0.00 3.29 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 21 K 8.26 3.96 0.00 1.72 1.78 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 22 G 8.94 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 0.00 0.00 0.00 23 R 7.63 4.35 0.00 2.07 1.95 0.00 3.19 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 24 V 7.89 4.68 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 0.81 0.00 0.00 0.94 0.00 0.00 25 G 8.23 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 0.00 0.00 0.00 26 K 8.29 4.70 0.00 1.79 1.52 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.41 7.81 27 V 8.62 3.79 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 1.17 0.00 0.00 0.97 0.00 0.00 28 K 8.46 4.41 0.00 1.86 1.95 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.29 7.81 29 E 7.94 3.88 0.00 2.01 2.16 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 2.24 2.33 0.00 30 V 7.38 3.67 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 0.84 0.00 0.00 0.87 0.00 0.00 31 L 7.21 4.23 0.00 1.73 1.58 0.91 0.93 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 32 P 0.00 4.95 0.00 2.15 2.23 0.00 3.73 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 1.96 1.92 0.00 33 K 8.45 3.80 0.00 1.77 1.94 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.46 7.81 34 K 8.00 4.19 0.00 1.72 1.81 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 35 Y 8.07 3.56 0.00 3.13 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 36 A 7.44 5.13 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 37 V 7.67 4.33 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 0.59 0.00 0.00 0.94 0.00 0.00 38 I 7.74 4.66 1.84 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 1.22 0.64 0.92 0.00 0.00 39 V 8.52 3.65 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 0.83 0.00 0.00 0.88 0.00 0.00 40 E 8.94 4.79 0.00 1.93 1.89 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 2.16 2.19 0.00 41 G 7.93 3.63 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 0.00 0.00 0.00 42 V 7.45 3.39 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 1.37 0.00 0.00 0.53 0.00 0.00 43 N 8.66 5.41 0.00 2.70 2.77 0.00 0.00 7.39 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 44 I 6.83 3.22 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.47 0.95 0.00 0.00 45 V 8.15 4.20 2.16 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 1.08 0.00 0.00 1.00 0.00 0.00 46 K 8.51 4.50 0.00 1.92 0.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.30 7.81 47 K 8.54 3.46 0.00 1.66 1.80 0.00 1.36 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 1.29 7.81 48 A 7.15 3.73 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 49 V 8.05 3.88 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 0.85 0.00 0.00 0.95 0.00 0.00 50 R 7.58 4.20 0.00 2.01 1.94 0.00 3.26 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 51 V 7.80 3.42 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 0.77 0.00 0.00 0.88 0.00 0.00 52 S 8.14 5.05 0.00 4.01 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 53 P 0.00 4.05 0.00 2.05 2.15 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.49 0.00 54 K 8.72 3.75 0.00 1.53 1.24 0.00 1.80 0.00 0.00 1.16 0.00 0.00 3.36 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.27 7.81 55 Y 8.39 3.30 0.00 3.16 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 56 P 0.00 3.61 0.00 2.27 2.34 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 57 Q 8.40 4.43 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 58 G 8.44 4.37 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 0.00 59 G 8.54 4.15 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 0.00 60 F 8.52 4.96 0.00 2.90 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 61 I 8.03 3.87 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.94 0.00 0.00 62 E 8.09 3.73 0.00 2.11 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 0.00 2.33 2.35 0.00 63 K 7.86 4.55 0.00 1.74 1.67 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 E 8.66 4.47 0.00 1.89 1.82 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 2.26 2.32 0.00 65 A 9.33 4.35 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 66 P 0.00 4.26 0.00 2.07 2.12 0.00 3.85 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 67 L 7.55 3.45 0.00 1.92 1.89 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.38 3.77 0.00 3.22 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.04 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.02 4.70 0.00 4.09 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 71 K 7.71 4.16 0.00 2.07 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.60 7.81 72 V 7.44 4.80 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 0.72 0.00 0.00 0.86 0.00 0.00 73 R 8.93 4.88 0.00 1.66 1.76 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 P 0.00 4.79 0.00 2.11 2.19 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.98 0.00 75 I 7.72 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.90 0.00 0.00 76 C 9.09 4.38 0.00 2.91 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 77 P 0.00 4.01 0.00 2.16 2.41 0.00 3.78 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 1.97 2.08 0.00 78 A 7.34 4.91 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 79 C 8.98 4.98 0.00 3.07 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 80 G 8.92 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 81 K 8.89 3.98 0.00 1.93 1.86 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.45 7.81 82 P 0.00 4.55 0.00 2.04 2.05 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 T 8.07 4.84 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 1.21 0.00 0.00 84 R 8.64 4.77 0.00 1.92 1.84 0.00 3.07 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 85 V 8.32 4.87 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 0.82 0.00 0.00 0.94 0.00 0.00 86 R 8.95 4.79 0.00 1.89 1.73 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 K 8.73 3.93 0.00 2.05 2.10 0.00 1.92 0.00 0.00 2.20 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.65 7.81 88 K 8.36 4.06 0.00 2.12 2.10 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 89 F 8.24 3.72 0.00 3.05 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 90 L 7.00 5.28 0.00 1.76 1.76 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.93 4.39 0.00 1.97 1.74 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 2.26 2.38 0.00 92 N 8.05 5.10 0.00 2.68 2.64 0.00 0.00 7.10 7.98 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 93 G 8.51 4.35 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 0.00 94 K 8.44 5.67 0.00 1.86 1.98 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.30 7.81 95 K 8.34 4.64 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.43 7.81 96 I 8.42 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 1.00 0.00 0.00 97 R 8.37 4.14 0.00 1.74 1.86 0.00 3.39 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 98 V 8.65 3.36 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 99 C 6.27 4.43 0.00 2.95 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 0.00 0.00 0.00 0.00 100 A 9.27 4.07 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 0.00 101 K 7.80 3.33 0.00 1.88 1.78 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 *102 C 8.36 4.36 0.00 2.74 2.73 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 * Residues marked with a * may have inaccurate shift predictions.