NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7887 8.4449 117.8686 55.2235 29.3907 172.7391 5 I 3.9630 8.3763 126.4166 61.1548 37.7926 172.3200 6 E 4.5800 9.9310 127.7631 54.7203 31.9796 175.0013 7 R 4.9885 8.1853 122.4405 54.3788 33.2708 175.2480 8 F 4.6766 8.3349 119.0966 56.3460 42.8916 174.8033 9 E 3.7491 8.6116 120.0346 57.4004 26.5487 173.7684 10 V 4.7811 7.4011 116.6164 61.1383 33.8081 174.7931 11 V 4.6127 8.4782 119.2579 59.0010 35.6041 176.4769 12 K 3.8668 8.7839 119.5704 59.9397 31.8860 178.8375 13 R 4.0849 8.0032 117.7681 58.8740 30.4962 176.0920 14 R 4.3999 7.5659 111.0037 55.3415 32.2969 173.1718 15 A 4.8614 8.3979 122.3351 51.1332 20.1356 177.6828 16 E 4.1356 8.7999 121.2834 58.4676 30.6021 176.5916 *18 A 4.7133 7.8547 121.8154 51.6713 20.6637 175.0002 19 L 5.1920 9.4512 124.5879 53.5798 44.8174 174.5870 20 H 5.0991 9.4799 126.6083 54.3046 32.4469 175.1360 21 G 3.8512 9.0692 117.8609 47.1559 0.0000 172.7099 22 N 4.9355 9.0118 119.9086 52.8307 39.1338 173.0949 23 T 4.9825 8.0514 115.6210 61.7339 71.5775 173.3228 24 V 4.7641 8.6574 125.9762 61.3571 33.8993 173.7309 25 Y 5.0483 9.1685 125.9900 56.2570 40.2362 175.1091 26 I 4.6513 8.7996 125.4624 59.5668 40.1830 176.4665 27 G 4.0721 8.5996 115.3480 45.1452 0.0000 172.6378 28 G 4.1969 8.6226 106.8137 46.2702 0.0000 173.2325 29 Q 4.6187 8.6623 124.0955 54.0638 30.9721 175.2478 30 V 4.4119 7.6264 114.3595 58.5788 35.4098 175.0351 31 A 4.0933 8.0593 124.3260 52.0672 18.7354 177.6321 32 D 4.4300 8.9198 123.2676 56.6046 40.7695 176.0324 33 D 4.8073 8.6369 120.2644 51.9303 41.0128 173.1016 34 P 5.3751 0.0000 0.0000 62.5379 31.6498 177.9578 35 S 4.2302 8.1933 115.5698 61.0549 63.2138 174.7245 36 G 3.9882 7.5148 109.4146 44.0189 0.0000 173.0273 37 D 4.7130 8.2116 119.7784 52.2637 42.1027 176.7458 38 I 3.6906 8.2258 117.8846 64.4514 37.8188 177.5284 39 Q 3.9792 8.0785 118.3849 59.1205 28.4609 178.3625 40 D 4.3130 8.4533 118.9135 57.3609 41.2408 178.3223 41 Q 3.9903 8.2063 118.6082 59.1911 28.6358 178.7113 42 T 3.7728 8.1482 117.0901 66.5582 68.4042 176.5535 43 R 3.4963 7.8274 120.4280 59.4106 30.0701 178.3921 44 Q 3.9427 8.0799 117.8049 59.1264 28.6434 179.2224 45 I 3.6097 7.7582 120.5737 64.4295 37.0911 178.5696 46 L 3.7125 7.7999 120.0488 57.6013 41.1418 179.5162 47 E 4.1222 8.2306 118.9101 59.4374 29.3428 178.8821 48 N 4.3281 8.3606 117.2530 56.6419 38.8992 177.0362 49 I 3.7038 8.0860 121.6340 64.2735 37.1129 177.8429 50 D 4.4319 8.4128 120.0701 57.5891 40.7346 179.0587 51 R 3.8610 8.1093 118.7782 59.4097 30.1947 178.4809 52 L 3.9065 8.0970 118.8485 57.7757 41.5586 179.5087 53 L 3.9651 8.1782 119.1810 57.8623 41.6131 179.2753 54 Q 4.0511 8.2510 119.8164 59.2774 28.7504 178.5794 55 S 4.2128 7.9153 113.7970 60.3421 63.0293 175.7457 56 V 4.1391 6.9501 113.2569 60.5249 31.8033 176.1491 57 G 3.7793 7.9028 106.3714 45.7163 0.0000 173.4443 58 S 4.6909 7.6510 115.1638 56.7233 64.7185 171.7081 59 D 4.5997 7.8694 118.8029 52.2342 41.5371 175.8894 60 R 3.9714 8.5848 118.9985 58.9274 29.9516 177.0027 61 G 3.9746 8.2660 104.7684 45.9998 0.0000 173.9425 62 Q 4.5603 8.2096 118.7772 55.3732 29.2613 175.0468 63 V 4.1624 7.7198 118.1820 62.6832 32.6536 175.2417 64 L 4.6050 8.9257 127.2803 56.2719 43.4681 176.7382 65 S 5.3031 7.6721 111.6074 56.2411 66.9094 173.0414 66 V 4.8201 8.8595 121.9122 61.2844 34.5172 173.9075 67 R 4.7426 9.0161 129.5014 55.3602 31.2118 175.3139 68 I 4.5048 8.7512 127.8767 59.6081 39.8488 174.5994 69 L 4.6853 8.9637 128.7821 53.2267 43.3121 175.2605 70 L 4.9358 8.6900 127.2320 53.3154 43.4447 177.1263 71 A 4.3255 8.8278 128.7605 54.0899 19.2878 177.7499 72 H 4.8451 7.9006 111.7509 53.1129 32.6575 174.0025 73 R 3.8875 8.9736 124.1513 59.9250 29.5817 178.3214 74 E 4.0997 8.2657 116.3372 59.0913 29.7579 177.9762 75 D 4.6906 8.1721 117.3458 54.8389 41.1691 177.5729 76 Y 4.1721 8.0903 121.6526 60.7868 38.7245 177.8782 77 A 3.9876 8.1274 121.3259 55.0192 18.2617 179.7182 78 G 3.5051 8.0118 103.8780 47.5837 0.0000 175.3588 79 L 3.9928 7.9667 122.7731 58.3528 42.0478 179.0915 80 N 4.3491 7.9905 116.0641 55.8958 38.1260 177.1218 81 Q 3.9713 8.0058 120.9986 59.2564 29.3182 178.6048 82 V 3.8066 7.5511 118.6463 65.7461 31.6913 177.7236 83 W 4.1368 8.4986 128.4200 60.7069 30.3756 177.4110 84 D 4.7903 8.7395 117.1840 56.1161 40.3329 177.4553 85 Q 4.5751 7.6419 116.5961 55.2335 29.4747 176.1080 86 W 3.9689 7.9233 131.2869 59.6174 31.0309 176.7117 87 F 4.3157 7.6238 114.8539 55.3744 39.8206 173.8429 88 P 4.2806 0.0000 0.0000 62.2007 31.7863 175.6562 89 E 3.9971 8.6410 121.5173 57.9628 29.6737 177.2203 90 G 3.9526 9.0048 113.0773 46.2652 0.0000 173.5919 91 R 4.5108 8.0408 115.8409 55.2976 30.9847 175.8278 92 A 3.4320 7.9454 121.0141 51.6848 18.7096 176.3600 93 P 4.7407 0.0000 0.0000 61.9433 32.9832 175.8984 94 T 4.2100 8.4815 110.1382 62.0709 69.8892 173.4676 95 R 4.9555 8.3085 121.7125 54.9980 33.7748 174.1963 96 A 4.5183 8.8154 126.5458 50.7139 22.2887 174.2764 97 C 5.7592 8.9797 122.8582 57.2692 33.8775 172.9727 98 S 4.7346 8.2787 118.9242 56.6075 66.9363 172.5583 99 L 4.8791 8.3754 119.4561 54.6317 42.2858 176.4685 100 A 4.6778 8.8556 122.8290 50.6783 23.3659 174.7756 101 E 4.3648 8.6854 120.4715 54.8077 30.5008 175.9772 102 L 4.7450 8.1661 125.9491 53.2024 43.8271 176.9662 103 I 3.7114 8.6496 121.0532 64.2074 37.3683 176.2646 104 D 4.2330 6.4968 120.0291 51.5601 41.6075 175.2077 105 P 4.3131 0.0000 0.0000 65.1630 31.5334 177.7914 106 R 4.0992 8.1685 116.9204 57.9037 30.2767 176.9925 107 W 4.7807 7.6948 118.8803 56.8081 29.5612 176.2733 108 R 4.6622 9.4163 122.3515 57.2178 31.1364 176.4720 109 V 4.8965 7.4543 116.0716 60.8305 34.4282 172.4418 110 E 5.2176 8.7242 122.3035 53.8076 34.0262 173.5000 *112 I 4.2723 8.1026 119.1852 61.2342 38.8778 175.2925 113 V 4.9731 8.6566 125.4055 61.0716 35.1492 174.1368 114 V 4.7184 8.7822 126.4324 61.1312 34.5370 174.1743 115 A 5.3114 9.0305 128.0737 50.5838 23.3208 174.0176 116 A 5.2090 8.8878 120.6925 50.1930 22.1355 177.1476 117 R 4.2110 8.4713 114.8942 56.4342 29.3749 175.2406 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 4 H 8.44 4.79 0.00 3.12 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.38 3.96 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.96 0.00 0.00 6 E 9.93 4.58 0.00 2.07 1.59 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 2.23 2.32 0.00 7 R 8.19 4.99 0.00 1.53 1.76 0.00 3.10 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 8 F 8.33 4.68 0.00 2.88 2.95 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 9 E 8.61 3.75 0.00 2.22 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 2.37 2.37 0.00 10 V 7.40 4.78 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 11 V 8.48 4.61 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 0.73 0.00 0.00 1.02 0.00 0.00 12 K 8.78 3.87 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 13 R 8.00 4.08 0.00 1.79 1.97 0.00 3.31 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 14 R 7.57 4.40 0.00 1.95 1.97 0.00 3.06 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 15 A 8.40 4.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.14 0.00 2.13 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 2.57 2.62 0.00 *18 A 7.85 4.71 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.45 5.19 0.00 1.93 1.96 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.48 5.10 0.00 3.30 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.07 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 0.00 0.00 0.00 22 N 9.01 4.94 0.00 2.73 2.94 0.00 0.00 6.65 7.05 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 23 T 8.05 4.98 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 0.86 0.00 0.00 24 V 8.66 4.76 2.00 0.00 0.00 0.00 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 0.90 0.00 0.00 25 Y 9.17 5.05 0.00 2.90 2.92 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 26 I 8.80 4.65 1.91 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 1.19 1.07 0.93 0.00 0.00 27 G 8.60 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 0.00 0.00 0.00 28 G 8.62 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 0.00 0.00 0.00 0.00 29 Q 8.66 4.62 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.26 0.00 30 V 7.63 4.41 0.73 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 -0.46 0.00 0.00 0.08 0.00 0.00 31 A 8.06 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.92 4.43 0.00 2.69 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 33 D 8.64 4.81 0.00 2.73 2.55 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 34 P 0.00 5.38 0.00 2.55 2.46 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 35 S 8.19 4.23 0.00 4.06 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 36 G 7.51 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 37 D 8.21 4.71 0.00 2.98 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 38 I 8.23 3.69 2.08 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 1.87 1.48 1.02 0.00 0.00 39 Q 8.08 3.98 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 40 D 8.45 4.31 0.00 2.87 2.81 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 41 Q 8.21 3.99 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 42 T 8.15 3.77 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 1.19 0.00 0.00 43 R 7.83 3.50 0.00 1.90 2.05 0.00 3.12 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 1.65 1.71 0.00 44 Q 8.08 3.94 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 45 I 7.76 3.61 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.85 0.00 0.00 46 L 7.80 3.71 0.00 0.27 0.13 -0.11 0.80 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 47 E 8.23 4.12 0.00 2.19 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 2.59 2.55 0.00 48 N 8.36 4.33 0.00 2.89 2.87 0.00 0.00 7.24 7.40 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 49 I 8.09 3.70 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.98 0.00 0.00 50 D 8.41 4.43 0.00 2.99 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 51 R 8.11 3.86 0.00 1.89 2.09 0.00 3.10 0.00 0.00 3.17 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 52 L 8.10 3.91 0.00 1.86 1.66 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.18 3.97 0.00 1.80 1.70 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.25 4.05 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 55 S 7.92 4.21 0.00 3.99 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 56 V 6.95 4.14 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 -0.06 0.00 0.00 0.86 0.00 0.00 57 G 7.90 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 0.00 0.00 0.00 58 S 7.65 4.69 0.00 3.78 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 59 D 7.87 4.60 0.00 2.86 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 60 R 8.58 3.97 0.00 1.84 1.91 0.00 2.72 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 61 G 8.27 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 0.00 0.00 0.00 62 Q 8.21 4.56 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 63 V 7.72 4.16 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 0.84 0.00 0.00 1.16 0.00 0.00 64 L 8.93 4.61 0.00 1.72 1.64 0.83 0.85 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 65 S 7.67 5.30 0.00 3.85 3.90 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 66 V 8.86 4.82 2.35 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 1.08 0.00 0.00 1.20 0.00 0.00 67 R 9.02 4.74 0.00 1.82 1.82 0.00 3.51 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 68 I 8.75 4.50 1.71 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.37 0.80 0.00 0.00 69 L 8.96 4.69 0.00 1.56 1.61 0.93 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.69 4.94 0.00 1.76 1.63 1.00 1.28 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 71 A 8.83 4.33 1.18 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 0.00 0.00 72 H 7.90 4.85 0.00 3.17 3.36 0.00 5.65 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 73 R 8.97 3.89 0.00 1.85 1.95 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 74 E 8.27 4.10 0.00 1.98 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 2.33 2.49 0.00 75 D 8.17 4.69 0.00 2.95 2.74 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 76 Y 8.09 4.17 0.00 3.10 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 A 8.13 3.99 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 78 G 8.01 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.99 0.00 1.76 1.79 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.99 4.35 0.00 2.69 2.92 0.00 0.00 6.72 7.58 0.00 0.00 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 Q 8.01 3.97 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 82 V 7.55 3.81 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 0.86 0.00 0.00 0.97 0.00 0.00 83 W 8.50 4.14 0.00 3.54 3.11 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 84 D 8.74 4.79 0.00 2.87 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 85 Q 7.64 4.58 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 86 W 7.92 3.97 0.00 3.17 2.37 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 87 F 7.62 4.32 0.00 3.01 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 88 P 0.00 4.28 0.00 2.16 1.93 0.00 3.74 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 2.09 1.97 0.00 89 E 8.64 4.00 0.00 1.90 1.87 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 2.29 2.32 0.00 90 G 9.00 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 0.00 0.00 0.00 91 R 8.04 4.51 0.00 1.91 1.90 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 92 A 7.95 3.43 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 93 P 0.00 4.74 0.00 2.06 1.93 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.56 0.00 94 T 8.48 4.21 4.24 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 1.24 0.00 0.00 95 R 8.31 4.96 0.00 1.85 1.76 0.00 2.21 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.20 0.00 96 A 8.82 4.52 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 97 C 8.98 5.76 0.00 2.84 2.81 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 98 S 8.28 4.73 0.00 3.83 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 99 L 8.38 4.88 0.00 1.52 1.60 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.86 4.68 1.20 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 0.00 0.00 0.00 101 E 8.69 4.36 0.00 1.93 1.87 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 2.22 2.30 0.00 102 L 8.17 4.74 0.00 1.85 1.97 1.15 1.00 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 0.00 103 I 8.65 3.71 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.84 0.00 0.00 104 D 6.50 4.23 0.00 1.58 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 0.00 0.00 0.00 105 P 0.00 4.31 0.00 2.00 2.05 0.00 3.50 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 1.93 2.01 0.00 106 R 8.17 4.10 0.00 1.77 2.17 0.00 3.16 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 107 W 7.69 4.78 0.00 3.51 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 0.00 108 R 9.42 4.66 0.00 1.91 2.14 0.00 3.16 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 109 V 7.45 4.90 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 0.56 0.00 0.00 0.96 0.00 0.00 110 E 8.72 5.22 0.00 1.93 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 2.12 2.12 0.00 *112 I 8.10 4.27 1.89 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 1.23 0.55 1.01 0.00 0.00 113 V 8.66 4.97 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 1.06 0.00 0.00 1.00 0.00 0.00 114 V 8.78 4.72 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 0.70 0.00 0.00 0.93 0.00 0.00 115 A 9.03 5.31 1.20 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 0.00 0.00 0.00 116 A 8.89 5.21 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 0.00 117 R 8.47 4.21 0.00 1.76 1.82 0.00 3.15 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.