NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7943 8.3549 109.7362 45.2696 0.0000 176.1535 *2 R 4.1244 8.5244 122.8487 55.4448 30.9649 174.9703 3 E 4.1353 8.9628 121.8934 59.6368 29.8136 179.1552 4 D 4.6103 7.7183 118.5303 52.9457 38.7496 177.1629 *6 K 4.3916 8.1045 120.5400 57.5988 34.6799 178.4948 7 D 4.3761 8.0991 118.4358 56.6027 39.2252 178.1636 8 N 4.3259 8.1448 117.6633 56.0203 38.6200 177.4380 9 V 3.6385 7.7237 119.3346 65.8853 31.7942 178.3472 10 V 3.8024 8.1318 119.2688 64.3504 31.0686 178.2853 11 K 3.8939 8.1045 120.4317 59.3942 32.0632 178.2649 12 D 4.3026 7.8392 118.1807 57.4693 41.1644 178.3545 13 K 4.0578 8.5944 119.6271 59.4279 31.4939 179.5555 14 S 4.2187 8.2661 114.7189 61.0891 62.9325 176.4157 15 L 3.9799 7.7999 123.8904 58.1995 41.9569 178.7126 16 E 4.0102 8.1816 118.5378 59.4999 29.3753 179.3034 17 F 4.2346 8.6582 120.6492 61.1631 39.4261 177.0611 18 A 3.9052 8.2846 120.5455 54.9825 18.1257 179.7840 19 V 3.4727 7.7556 116.7112 66.3214 31.5843 178.3897 20 R 3.8717 7.8593 117.7147 59.3964 29.8206 179.2086 21 I 3.5298 7.3760 119.4557 64.1070 37.0039 178.4899 22 V 3.6086 7.8449 119.2310 66.3088 31.2910 177.8972 23 N 4.3710 8.2889 116.0575 56.0517 38.2132 177.2348 24 L 3.9788 8.2305 122.3196 58.1602 42.1804 178.1225 25 Y 4.0321 8.4150 119.9484 60.8399 38.6148 178.4750 26 K 3.7695 8.3258 119.1922 59.3096 32.1056 178.9278 27 F 4.1013 8.3434 120.9520 61.4030 39.1918 177.2080 28 L 3.5557 8.0250 118.5961 57.5899 41.1397 179.7930 29 V 2.9146 7.2222 118.0302 65.8037 31.2454 177.9131 30 N 4.2803 7.8221 114.9562 55.5819 38.5299 176.0308 31 E 4.1947 7.6539 118.0385 58.2493 30.3881 177.4524 32 Q 3.9975 7.2585 113.9368 55.6235 29.4292 175.6295 33 K 3.4503 7.3357 115.5853 56.1389 29.6758 174.5994 34 E 4.1496 7.4415 118.3921 54.3075 31.0837 175.0670 35 F 4.7148 8.4339 122.7859 57.2481 40.9625 175.7708 36 V 4.0037 7.8183 120.2537 63.0905 32.0634 177.1068 *38 S 4.3213 7.9468 113.5547 58.9125 64.7234 175.9632 39 K 3.9335 7.9124 121.6568 58.9499 31.9192 178.6522 40 Q 3.6711 7.3960 117.9649 58.8648 28.4885 178.6156 41 I 3.7601 6.9710 120.3455 62.9990 37.9635 177.3614 42 L 3.8150 7.7536 121.5770 58.0339 41.6966 179.0455 43 R 3.7872 7.6086 118.4828 59.4284 30.2349 178.5975 44 S 4.3148 8.1748 114.2408 61.6304 62.8304 176.6961 45 G 3.8447 8.5112 109.0621 46.9604 0.0000 175.3022 46 T 4.1900 7.8177 111.1009 63.8145 69.1235 176.9820 47 S 4.0532 7.8854 116.7440 60.9809 62.3441 175.6147 48 I 3.8144 7.5318 121.6953 64.7953 36.8788 178.5468 49 G 3.6758 8.1696 105.3081 46.8168 0.0000 175.3561 50 A 4.0091 7.5745 122.8346 55.3416 18.4730 179.5525 51 N 4.3239 8.2882 114.9380 56.3390 38.3152 177.8185 52 I 3.6663 7.5831 120.5653 64.3547 37.6061 178.1687 53 R 4.1049 8.2623 119.1891 59.5413 29.9179 178.8867 54 E 3.9909 8.3730 117.9137 59.4564 29.2233 179.3185 55 A 4.0864 7.9109 119.7485 55.0495 18.3949 178.9359 56 E 4.3432 7.9085 116.4596 58.3890 30.1618 177.3391 57 Q 4.2469 7.9843 120.6755 54.9747 28.1241 175.7718 *60 S 4.3664 8.1189 123.7629 60.0846 65.3178 173.6585 61 R 4.1856 8.4574 126.7841 61.0514 29.2213 178.0636 62 A 4.2128 8.1166 121.3985 55.4857 18.3034 179.4474 63 D 4.3610 8.1146 116.5696 57.1705 40.9343 178.4297 64 F 4.1986 8.4057 121.3045 61.6761 39.3137 177.3741 65 I 3.5966 8.4803 119.5334 64.0967 36.8650 177.7597 66 N 4.2288 8.5168 118.3881 56.8817 38.7298 177.0446 67 K 3.9525 8.1203 119.6434 59.4887 32.0426 179.4641 68 L 3.8569 7.7142 119.2522 57.6903 41.3489 179.2802 69 N 4.2866 8.4137 116.8914 56.1681 38.4141 177.5263 70 I 3.6546 7.8021 121.0702 64.3014 37.2288 178.1501 71 A 3.9898 8.0681 121.6685 55.1438 18.1330 179.4386 72 L 3.8390 8.1642 118.9796 58.0747 42.0925 178.8493 73 K 3.8273 8.2796 119.9170 59.9300 31.9966 178.5725 74 E 4.0234 8.4353 118.2959 59.0005 29.2995 179.1756 75 A 4.0238 8.1835 121.1062 55.3541 18.4457 179.4492 76 N 4.6202 8.2421 116.3590 55.9221 38.5335 177.5011 77 E 3.9561 8.5459 120.2753 59.7743 29.6409 179.4573 78 T 4.2079 8.3808 115.9432 67.0348 68.3990 176.5623 79 E 4.2408 8.5678 120.4126 59.3726 29.4092 178.8595 80 Y 4.1588 8.2494 119.8919 60.5519 38.7943 177.9623 81 W 4.3661 8.3308 119.9895 59.7550 29.1277 178.4332 82 L 4.1969 8.5808 119.2784 57.9275 41.0989 179.2168 83 E 3.8716 8.4200 118.4252 59.5840 29.3753 179.5255 84 L 3.8796 7.7971 118.6946 57.7697 41.6847 179.6342 85 L 4.1318 8.2995 119.1123 57.8611 41.6916 179.4637 86 I 3.7405 7.9874 118.6710 63.9240 37.6662 177.8348 87 R 3.8742 7.8996 119.0893 59.1170 29.9707 177.6228 88 T 4.3292 7.9179 106.5720 60.9213 69.2299 174.4546 89 E 3.7810 7.7332 119.2718 58.0904 27.2789 175.0316 90 Y 4.3088 8.0973 117.9161 58.8959 38.5136 175.7905 91 I 4.9688 7.5287 111.8489 58.3288 40.7964 175.7093 92 T 4.2470 8.7220 112.6841 61.1539 70.7740 175.6717 93 R 3.9304 8.5156 121.3908 59.6504 30.0274 177.9662 94 E 3.9393 8.2553 118.4259 59.5741 29.5146 178.6999 95 Q 3.9388 8.1958 117.7917 59.0651 28.7123 178.0339 96 Y 4.0861 8.3104 120.7337 61.0262 38.7785 178.2823 97 E 3.7613 8.6103 119.6472 59.1706 29.4913 179.3756 98 S 4.0264 8.0380 113.1846 61.5564 62.5737 176.3667 99 I 3.8375 7.9489 122.8150 64.3100 36.8615 177.9658 100 N 4.2038 8.1910 118.2728 56.6027 38.6941 176.5814 101 N 4.3281 8.0990 119.2959 55.8886 38.6723 177.0086 102 D 4.3229 7.8861 119.7565 57.4179 41.0034 178.9518 103 S 3.2074 7.8776 113.7772 61.2275 62.5291 176.2952 104 T 4.0564 8.3311 112.6391 64.3159 68.6896 176.2346 105 E 3.9761 8.1114 122.6234 59.2109 29.4985 178.8807 106 I 3.6390 7.2039 118.4588 64.2539 37.0825 177.9327 107 N 4.2373 7.8227 116.8376 56.4468 38.4072 177.5983 108 K 3.9506 8.0200 119.5739 59.3556 32.1082 179.4714 109 L 3.9640 7.7721 118.9009 57.7685 41.4965 179.5937 110 L 3.9418 8.0650 118.9904 57.7475 41.5128 179.5306 111 I 3.6464 7.8651 119.8232 64.5396 36.8671 178.3570 112 S 4.0862 7.7458 112.3498 61.5457 62.2626 175.9800 113 I 3.9335 7.7161 121.4598 64.4159 36.9030 178.2427 114 I 3.9794 7.9260 122.4262 64.7283 37.0573 177.4882 115 K 4.3401 8.0941 127.9564 56.9902 31.7598 178.4474 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 0 G 8.35 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 0.00 0.00 0.00 *2 R 8.52 4.12 0.00 1.84 2.07 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 3 E 8.96 4.14 0.00 1.96 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 0.00 2.32 2.26 0.00 4 D 7.72 4.61 0.00 2.76 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 *6 K 8.10 4.39 0.00 2.01 1.95 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.64 7.81 7 D 8.10 4.38 0.00 2.97 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 8 N 8.14 4.33 0.00 2.84 2.92 0.00 0.00 6.75 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 9 V 7.72 3.64 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 0.98 0.00 0.00 0.94 0.00 0.00 10 V 8.13 3.80 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 0.82 0.00 0.00 0.90 0.00 0.00 11 K 8.10 3.89 0.00 1.94 2.11 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 D 7.84 4.30 0.00 2.79 2.82 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 13 K 8.59 4.06 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.63 1.58 7.81 14 S 8.27 4.22 0.00 4.12 4.17 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 15 L 7.80 3.98 0.00 1.68 1.89 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.18 4.01 0.00 2.24 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 2.55 2.50 0.00 17 F 8.66 4.23 0.00 3.18 3.24 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 18 A 8.28 3.91 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 19 V 7.76 3.47 2.25 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 1.01 0.00 0.00 0.98 0.00 0.00 20 R 7.86 3.87 0.00 1.83 1.82 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 21 I 7.38 3.53 1.75 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.32 0.86 0.00 0.00 22 V 7.84 3.61 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 1.13 0.00 0.00 0.95 0.00 0.00 23 N 8.29 4.37 0.00 2.90 2.85 0.00 0.00 6.70 6.24 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 24 L 8.23 3.98 0.00 1.78 1.84 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.41 4.03 0.00 3.03 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 26 K 8.33 3.77 0.00 2.04 1.85 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.75 7.81 27 F 8.34 4.10 0.00 3.06 3.22 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 0.00 0.00 0.00 0.00 28 L 8.03 3.56 0.00 1.59 1.37 0.89 1.15 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 29 V 7.22 2.91 1.57 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 1.08 0.00 0.00 0.22 0.00 0.00 30 N 7.82 4.28 0.00 2.73 2.79 0.00 0.00 7.05 7.67 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 31 E 7.65 4.19 0.00 1.30 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 2.20 2.49 0.00 32 Q 7.26 4.00 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.83 0.00 0.00 0.00 0.00 0.00 1.30 2.28 0.00 33 K 7.34 3.45 0.00 1.82 1.92 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.32 7.81 34 E 7.44 4.15 0.00 1.30 1.27 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 1.47 1.47 0.00 35 F 8.43 4.71 0.00 3.02 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 36 V 7.82 4.00 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 0.99 0.00 0.00 0.95 0.00 0.00 *38 S 7.95 4.32 0.00 3.96 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 39 K 7.91 3.93 0.00 2.01 1.78 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.10 7.81 40 Q 7.40 3.67 0.00 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.10 1.75 0.00 41 I 6.97 3.76 1.77 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.93 0.00 0.00 42 L 7.75 3.82 0.00 1.65 1.60 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.61 3.79 0.00 1.80 1.99 0.00 3.16 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 1.61 0.00 44 S 8.17 4.31 0.00 4.28 4.31 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 45 G 8.51 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 0.00 0.00 0.00 46 T 7.82 4.19 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 47 S 7.89 4.05 0.00 4.04 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 48 I 7.53 3.81 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.73 0.97 0.00 0.00 49 G 8.17 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 50 A 7.57 4.01 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 51 N 8.29 4.32 0.00 2.89 3.01 0.00 0.00 7.10 6.90 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 52 I 7.58 3.67 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.91 0.00 0.00 53 R 8.26 4.10 0.00 1.99 2.00 0.00 3.43 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 54 E 8.37 3.99 0.00 2.22 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 2.34 2.50 0.00 55 A 7.91 4.09 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 56 E 7.91 4.34 0.00 2.20 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 0.00 2.42 2.49 0.00 57 Q 7.98 4.25 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 *60 S 8.12 4.37 0.00 3.76 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 61 R 8.46 4.19 0.00 1.81 1.97 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 62 A 8.12 4.21 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 63 D 8.11 4.36 0.00 2.76 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 64 F 8.41 4.20 0.00 3.20 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 65 I 8.48 3.60 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.90 0.00 0.00 66 N 8.52 4.23 0.00 2.80 3.06 0.00 0.00 7.24 5.76 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 67 K 8.12 3.95 0.00 1.85 1.92 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.63 7.81 68 L 7.71 3.86 0.00 1.43 1.51 0.17 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.41 4.29 0.00 2.94 2.84 0.00 0.00 6.98 7.66 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 70 I 7.80 3.65 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.94 0.00 0.00 71 A 8.07 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.16 3.84 0.00 1.81 1.81 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.28 3.83 0.00 1.92 2.00 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.49 7.81 74 E 8.44 4.02 0.00 2.22 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 0.00 2.39 2.36 0.00 75 A 8.18 4.02 1.39 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 76 N 8.24 4.62 0.00 2.89 2.86 0.00 0.00 6.56 7.18 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 77 E 8.55 3.96 0.00 2.30 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 0.00 2.34 2.59 0.00 78 T 8.38 4.21 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 79 E 8.57 4.24 0.00 2.25 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 0.00 2.54 2.40 0.00 80 Y 8.25 4.16 0.00 2.85 2.71 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 81 W 8.33 4.37 0.00 3.67 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 82 L 8.58 4.20 0.00 2.11 2.05 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.42 3.87 0.00 1.99 1.78 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 2.40 2.69 0.00 84 L 7.80 3.88 0.00 1.93 1.78 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.30 4.13 0.00 2.00 1.87 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.99 3.74 1.68 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.04 0.40 0.00 0.00 87 R 7.90 3.87 0.00 1.73 2.14 0.00 3.31 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 88 T 7.92 4.33 4.45 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 1.31 0.00 0.00 89 E 7.73 3.78 0.00 2.04 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 2.18 2.21 0.00 90 Y 8.10 4.31 0.00 3.04 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 91 I 7.53 4.97 2.05 0.00 0.00 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 1.52 0.81 1.10 0.00 0.00 92 T 8.72 4.25 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 1.27 0.00 0.00 93 R 8.52 3.93 0.00 1.96 2.01 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 94 E 8.26 3.94 0.00 2.08 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 2.38 2.42 0.00 95 Q 8.20 3.94 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 96 Y 8.31 4.09 0.00 3.13 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 97 E 8.61 3.76 0.00 2.06 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 2.48 2.70 0.00 98 S 8.04 4.03 0.00 3.93 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 99 I 7.95 3.84 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.03 0.00 0.00 100 N 8.19 4.20 0.00 2.08 2.34 0.00 0.00 7.23 7.07 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 0.00 101 N 8.10 4.33 0.00 2.92 2.82 0.00 0.00 6.60 7.82 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 0.00 102 D 7.89 4.32 0.00 3.01 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 0.00 103 S 7.88 3.21 0.00 3.92 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 0.00 104 T 8.33 4.06 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 1.26 0.00 0.00 105 E 8.11 3.98 0.00 2.02 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 0.00 2.25 2.32 0.00 106 I 7.20 3.64 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.34 0.81 0.00 0.00 107 N 7.82 4.24 0.00 2.96 2.84 0.00 0.00 7.07 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 0.00 108 K 8.02 3.95 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 109 L 7.77 3.96 0.00 1.83 1.70 0.93 0.42 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 0.00 110 L 8.06 3.94 0.00 1.77 1.65 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.87 3.65 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.90 0.00 0.00 112 S 7.75 4.09 0.00 3.88 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 0.00 113 I 7.72 3.93 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 1.06 0.00 0.00 114 I 7.93 3.98 2.02 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 1.30 0.49 0.90 0.00 0.00 115 K 8.09 4.34 0.00 1.86 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.