NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3109 8.1233 122.4707 52.1521 21.0315 174.9570 3 T 4.5561 7.9043 115.3983 61.5109 71.1354 171.7083 4 Y 4.3968 9.2748 125.7669 56.3402 40.7339 174.3385 5 Y 5.0671 9.0676 122.4844 57.0721 40.4845 174.2595 6 Y 5.6043 8.3713 119.1196 56.0875 41.5386 173.8179 7 I 4.9928 8.9297 113.9621 59.3675 41.0830 174.1038 8 L 5.3925 9.2404 125.2508 53.9345 46.0182 175.0228 9 A 4.7348 8.4015 125.1503 51.2934 23.6882 175.6239 10 S 4.8298 8.4305 112.0894 57.4612 64.0130 175.4020 11 K 3.9891 9.2716 123.9501 59.4587 31.7376 179.2725 12 K 3.9211 8.0542 119.5659 59.5089 32.0129 178.3337 13 F 4.0537 8.4549 119.8795 61.4176 39.3944 176.7902 14 L 4.2421 7.9460 117.3128 57.8597 41.4905 179.3554 15 T 4.0200 8.1733 115.4514 67.4203 68.8695 174.9269 16 E 4.3631 8.2001 118.7373 56.7107 33.1914 173.3503 17 E 3.8034 8.6137 118.6611 57.1759 28.2636 174.1473 18 E 4.5665 7.3546 118.8808 54.5919 32.3246 175.5483 19 P 4.6545 0.0000 0.0000 61.8127 28.7712 176.9446 20 L 4.1291 7.7548 122.6474 59.1471 42.4689 177.2901 21 E 4.0075 8.2648 118.5689 59.4102 29.5963 178.2957 22 E 3.9640 8.2380 118.7928 59.1753 29.7908 178.6317 23 V 3.6070 7.9892 118.3315 66.1056 31.5551 178.1080 24 F 3.8785 8.6995 117.3856 60.7227 38.7924 177.9440 25 R 4.0033 8.4054 117.8638 59.2679 29.7842 178.8309 26 E 3.8952 8.4026 119.1954 59.2562 29.5658 178.8895 27 R 3.6838 7.6541 118.3613 59.2357 29.9581 178.5218 28 Q 4.0346 8.3656 118.1418 59.0702 28.7358 178.9653 29 R 3.9608 8.2911 119.3055 59.4595 29.8748 178.5823 30 H 4.1815 8.2608 117.1028 59.4340 30.1780 176.5650 31 Y 4.0562 8.5230 118.7629 61.3338 37.6532 178.9078 32 R 4.0030 8.2727 118.8113 59.4049 29.9155 178.9093 33 E 4.0365 8.0745 117.2334 58.3834 29.5609 178.1587 34 Q 4.3939 7.8269 116.0370 54.7392 29.3667 176.1715 35 G 3.8585 7.3971 108.0641 46.0207 0.0000 173.3752 36 K 4.4075 7.6999 118.4521 54.0788 33.4262 176.4760 37 E 4.2185 8.5825 121.7355 55.7388 30.3702 176.8207 38 I 3.4910 8.3786 123.1767 61.9583 37.7679 175.5195 39 D 4.3735 8.0448 123.7144 52.2719 40.1385 174.3896 40 F 4.8689 5.7678 112.7165 55.6225 40.8517 173.6343 41 W 5.5631 9.8082 120.4845 55.2237 34.0520 173.5244 42 L 4.7241 8.8607 124.8390 54.5127 42.7438 176.5311 43 V 4.5055 9.2244 126.7486 60.0522 32.8342 172.2486 44 P 4.5148 0.0000 0.0000 62.6607 32.3769 176.3512 45 E 3.7223 8.8257 120.6181 56.3773 27.5174 173.4262 46 P 4.5332 0.0000 0.0000 63.0558 32.3524 178.1367 47 A 3.8338 8.7917 124.4357 54.8976 18.1860 179.8543 48 F 3.8749 7.9744 112.9116 59.8996 37.4325 177.0707 49 L 3.4661 5.8065 118.8736 56.8335 41.7938 177.6997 50 E 4.2933 7.7447 116.5756 56.2739 30.4325 176.3695 51 Q 4.3469 7.6911 119.4899 54.6194 30.0197 175.1031 52 P 4.2330 0.0000 0.0000 65.9541 31.4668 178.5973 53 Q 3.8774 8.0322 117.0303 58.0954 29.0974 176.5009 54 F 4.8425 8.1078 115.1419 57.2666 39.8450 176.9332 55 A 4.0242 8.0668 126.1162 55.6290 17.7530 180.4241 56 E 4.0200 8.1051 115.5488 59.4794 29.7918 179.0908 57 Q 4.2489 8.1656 117.8536 58.8752 28.7833 178.3845 58 K 3.9134 8.4926 120.6967 59.4366 31.9547 178.7367 59 A 4.0296 7.8462 120.2509 54.6911 18.4075 178.8963 60 R 4.3818 7.5136 113.9620 55.5746 30.5770 175.7558 61 C 4.7539 7.0881 120.3123 56.2674 33.5825 171.7723 62 P 4.3682 0.0000 0.0000 62.8654 31.6277 174.9892 63 Q 4.8177 8.1787 121.1560 53.6203 31.2112 173.3267 64 P 4.4941 0.0000 0.0000 62.7028 32.8121 175.7465 65 A 5.0245 8.4309 124.5119 50.8906 22.4451 175.1317 66 A 5.0426 8.7767 118.6627 50.9218 23.0981 175.5283 67 A 5.3535 9.2721 121.8931 50.2165 23.4290 175.0989 68 I 5.2205 8.7287 120.1056 59.7656 40.1977 174.9757 69 I 5.4670 9.1273 127.6924 60.0309 40.8837 174.6128 70 S 5.2504 9.3981 118.6290 57.7889 66.0238 174.7334 71 T 4.5920 8.6260 114.2849 61.2565 69.5898 174.0417 72 N 4.7915 8.2890 122.6752 51.9554 39.3554 174.8393 73 Q 3.7143 8.1017 127.6002 58.3655 28.9230 177.4712 74 Q 3.9059 8.2896 121.1507 59.3006 29.0763 178.1162 75 F 4.3815 7.8676 120.1258 61.4296 39.3207 177.1684 76 I 3.5702 7.7452 118.9963 64.2837 36.9053 178.0126 77 Q 3.8765 8.2777 120.6156 58.8925 28.9130 178.0563 78 W 4.0107 8.2234 129.3773 60.4387 30.7244 177.9305 79 L 3.7948 8.0961 118.8971 57.5383 40.9878 179.3412 80 K 3.8272 8.1707 119.7926 59.5075 31.8980 178.8258 81 L 3.8204 7.6500 118.0991 57.8314 41.5806 179.4115 82 R 3.7919 7.2687 116.7765 58.6819 30.0458 178.5103 83 L 4.1892 8.0632 118.1695 55.3794 41.9126 176.2353 84 E 3.6720 8.1807 121.5013 57.5894 30.1260 174.6856 85 Y 4.4261 6.9069 116.3258 56.9903 36.9211 174.7814 86 V 4.4126 6.8539 111.6859 59.9661 36.8521 175.3394 87 L 4.5016 8.6895 121.8143 53.7915 44.9116 174.7429 *89 G 3.5496 8.1817 105.4008 47.5347 0.0000 171.5938 90 Q 5.1663 8.4644 115.8576 55.7546 31.5357 172.9759 91 F 5.2496 8.3639 114.3308 56.6697 42.0114 172.6232 92 T 5.1849 9.5514 109.7079 59.7513 71.1760 175.5643 93 S 4.3709 9.1140 118.2989 61.7478 62.9199 176.7733 94 E 3.9132 7.7719 116.2144 57.9078 29.7605 177.3463 95 E 4.2715 8.1903 118.6750 57.1212 30.3704 176.1384 96 V 4.3481 7.2296 117.2055 60.2394 33.1330 172.9297 97 P 4.3962 0.0000 0.0000 65.4834 31.4709 177.3849 98 N 4.8417 7.6155 118.5468 49.5380 38.7523 172.7741 99 P 4.0330 0.0000 0.0000 65.4155 31.1901 178.0333 100 L 4.4069 7.4299 114.7967 53.8136 41.9664 176.0627 101 A 4.0510 7.8835 122.6814 52.4606 19.1664 177.0554 102 S 4.8422 8.6163 116.7480 56.2611 64.8518 173.4190 103 L 4.6587 8.5946 125.5583 54.4063 42.0922 176.8154 104 A 4.8104 7.7720 121.7675 52.1596 18.7252 178.1521 105 S 4.6192 8.5733 113.9118 57.6906 64.3711 174.3678 106 V 4.3855 7.5457 118.7749 59.6479 33.2516 175.0610 107 L 4.2582 8.2199 124.1848 55.0473 43.3410 175.9265 108 E 4.0704 8.6341 121.9722 56.6510 30.3205 174.0193 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 A 8.12 4.31 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.90 4.56 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 0.57 0.00 0.00 4 Y 9.27 4.40 0.00 1.54 2.43 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 0.00 5 Y 9.07 5.07 0.00 3.00 2.84 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 0.00 0.00 0.00 6 Y 8.37 5.60 0.00 3.17 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 7 I 8.93 4.99 1.95 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 1.21 0.89 0.91 0.00 0.00 8 L 9.24 5.39 0.00 2.05 1.74 0.92 1.17 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 9 A 8.40 4.73 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 10 S 8.43 4.83 0.00 4.07 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 0.00 11 K 9.27 3.99 0.00 1.89 1.87 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 K 8.05 3.92 0.00 1.90 1.86 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.52 7.81 13 F 8.45 4.05 0.00 3.08 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 14 L 7.95 4.24 0.00 1.80 1.82 1.10 1.08 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 15 T 8.17 4.02 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 1.21 0.00 0.00 16 E 8.20 4.36 0.00 1.92 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 2.28 2.32 0.00 17 E 8.61 3.80 0.00 1.71 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 1.70 2.19 0.00 18 E 7.35 4.57 0.00 1.95 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 2.03 2.22 0.00 19 P 0.00 4.65 0.00 2.33 2.26 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 20 L 7.75 4.13 0.00 1.80 1.80 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.26 4.01 0.00 2.11 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 2.44 2.42 0.00 22 E 8.24 3.96 0.00 2.17 2.15 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 2.42 2.46 0.00 23 V 7.99 3.61 2.53 0.00 0.00 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 1.23 0.00 0.00 24 F 8.70 3.88 0.00 3.29 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 25 R 8.41 4.00 0.00 1.91 2.03 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 26 E 8.40 3.90 0.00 2.06 1.91 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 2.26 2.39 0.00 27 R 7.65 3.68 0.00 1.32 1.02 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 28 Q 8.37 4.03 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.73 0.00 29 R 8.29 3.96 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 30 H 8.26 4.18 0.00 3.32 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.52 4.06 0.00 3.27 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 32 R 8.27 4.00 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 33 E 8.07 4.04 0.00 2.10 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 0.00 2.35 2.49 0.00 34 Q 7.83 4.39 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.39 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 35 G 7.40 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 36 K 7.70 4.41 0.00 1.29 1.43 0.00 1.47 0.00 0.00 1.33 0.00 0.00 2.69 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.19 1.34 7.81 37 E 8.58 4.22 0.00 2.16 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 0.00 2.32 2.42 0.00 38 I 8.38 3.49 1.69 0.00 0.00 0.48 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 0.58 -0.26 0.00 0.00 39 D 8.04 4.37 0.00 2.81 2.84 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 0.00 0.00 0.00 40 F 5.77 4.87 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.81 5.56 0.00 3.42 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 42 L 8.86 4.72 0.00 1.07 1.45 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.22 4.51 2.23 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 1.09 0.00 0.00 1.10 0.00 0.00 44 P 0.00 4.51 0.00 2.11 2.03 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 45 E 8.83 3.72 0.00 2.08 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 2.21 2.20 0.00 46 P 0.00 4.53 0.00 1.54 2.15 0.00 3.56 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 47 A 8.79 3.83 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.97 3.87 0.00 2.37 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 49 L 5.81 3.47 0.00 0.76 1.40 0.80 0.75 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 50 E 7.74 4.29 0.00 2.03 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 2.16 2.40 0.00 51 Q 7.69 4.35 0.00 2.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 52 P 0.00 4.23 0.00 2.15 2.11 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 2.12 2.10 0.00 53 Q 8.03 3.88 0.00 1.80 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.20 0.00 0.00 0.00 0.00 0.00 1.54 2.09 0.00 54 F 8.11 4.84 0.00 3.27 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 55 A 8.07 4.02 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 56 E 8.11 4.02 0.00 2.00 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 2.41 0.00 57 Q 8.17 4.25 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.69 2.85 0.00 58 K 8.49 3.91 0.00 1.96 1.99 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 59 A 7.85 4.03 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 60 R 7.51 4.38 0.00 1.79 2.01 0.00 3.15 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 61 C 7.09 4.75 0.00 2.96 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 62 P 0.00 4.37 0.00 2.27 2.17 0.00 3.71 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 2.08 1.95 0.00 63 Q 8.18 4.82 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 64 P 0.00 4.49 0.00 2.11 1.93 0.00 3.63 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 2.10 2.08 0.00 65 A 8.43 5.02 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 66 A 8.78 5.04 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 67 A 9.27 5.35 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 68 I 8.73 5.22 2.06 0.00 0.00 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 1.61 1.13 1.26 0.00 0.00 69 I 9.13 5.47 2.32 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 1.26 0.00 0.00 70 S 9.40 5.25 0.00 4.17 3.91 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 71 T 8.63 4.59 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 1.07 0.00 0.00 72 N 8.29 4.79 0.00 2.98 2.82 0.00 0.00 6.78 7.23 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 73 Q 8.10 3.71 0.00 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 74 Q 8.29 3.91 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 75 F 7.87 4.38 0.00 2.90 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 76 I 7.75 3.57 1.98 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 1.65 1.00 0.89 0.00 0.00 77 Q 8.28 3.88 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 78 W 8.22 4.01 0.00 3.53 3.34 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 79 L 8.10 3.79 0.00 1.77 1.61 0.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.17 3.83 0.00 1.85 1.88 0.00 1.43 0.00 0.00 1.59 0.00 0.00 3.25 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 81 L 7.65 3.82 0.00 1.50 1.51 0.86 0.99 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 82 R 7.27 3.79 0.00 0.94 1.45 0.00 2.96 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 83 L 8.06 4.19 0.00 1.71 1.90 0.91 1.05 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 84 E 8.18 3.67 0.00 1.67 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 1.47 1.47 0.00 85 Y 6.91 4.43 0.00 2.69 2.70 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 86 V 6.85 4.41 2.22 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 0.66 0.00 0.00 0.90 0.00 0.00 87 L 8.69 4.50 0.00 1.73 1.75 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *89 G 8.18 3.55 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 0.00 0.00 0.00 90 Q 8.46 5.17 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 91 F 8.36 5.25 0.00 3.45 3.57 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 92 T 9.55 5.18 4.55 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 1.26 0.00 0.00 93 S 9.11 4.37 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 94 E 7.77 3.91 0.00 1.95 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 0.00 2.37 2.47 0.00 95 E 8.19 4.27 0.00 2.30 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 0.00 2.34 2.32 0.00 96 V 7.23 4.35 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 0.53 0.00 0.00 0.22 0.00 0.00 97 P 0.00 4.40 0.00 2.04 2.11 0.00 3.74 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 2.02 2.13 0.00 98 N 7.62 4.84 0.00 2.71 2.63 0.00 0.00 6.70 8.03 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 99 P 0.00 4.03 0.00 1.18 1.75 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 100 L 7.43 4.41 0.00 1.38 1.53 -0.39 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.88 4.05 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 0.00 102 S 8.62 4.84 0.00 3.85 3.69 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 0.00 0.00 0.00 0.00 103 L 8.59 4.66 0.00 1.48 1.61 0.85 0.63 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 0.00 104 A 7.77 4.81 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 0.00 105 S 8.57 4.62 0.00 3.79 3.84 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 0.00 0.00 0.00 106 V 7.55 4.39 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 0.77 0.00 0.00 0.92 0.00 0.00 107 L 8.22 4.26 0.00 1.62 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.63 4.07 0.00 2.15 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 2.16 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.