NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.3089 8.3001 118.7933 54.4464 33.5050 174.4345 2 A 4.2351 8.2944 122.4619 51.0974 20.5318 174.9396 3 N 4.4167 8.1630 111.6290 53.0880 43.4472 175.3305 4 L 4.6646 8.1710 126.6054 53.2504 40.6189 179.4686 5 E 5.0895 8.1646 129.3299 58.4312 33.8682 173.9372 6 R 4.8921 7.9239 118.3051 56.3150 32.9463 174.4429 7 T 4.7802 9.1972 120.0983 60.4319 71.6981 171.8960 8 F 5.1796 8.7877 127.7369 56.8409 41.2802 174.1663 9 I 4.5440 8.0383 127.0241 59.2025 39.9965 174.5148 10 A 4.6993 8.4281 128.1024 49.9584 22.2795 174.7828 11 I 4.4268 8.7636 124.2882 59.7395 38.5228 176.1225 12 K 4.3969 8.8556 127.2975 55.6467 33.0563 176.5876 13 P 4.5223 0.0000 0.0000 65.4386 31.2079 178.6758 14 D 4.5010 8.2924 117.2700 56.4091 39.4378 178.6779 15 G 3.6136 8.2427 107.2769 47.3544 0.0000 176.0107 16 V 3.6324 7.7319 119.9971 66.1675 31.6135 177.9458 17 Q 4.0541 8.2014 116.6126 58.7377 28.5892 178.3687 18 R 4.4011 7.9714 116.4356 54.8263 31.2233 176.3569 19 G 3.8508 8.1813 106.7770 47.3531 0.0000 174.4298 20 L 4.4166 7.8093 114.6212 54.1932 43.1019 179.5367 21 V 3.6686 7.8889 120.2642 66.1091 31.4272 178.1127 22 G 3.6349 8.0080 104.8516 47.8511 0.0000 175.1092 23 E 3.9748 8.0451 120.6572 59.1514 29.3905 179.4138 24 I 3.7722 7.7698 119.5381 64.4970 37.2459 178.4984 25 I 3.9418 8.0452 120.7355 64.3778 36.9865 178.0888 26 K 4.0415 8.4508 120.8040 59.9200 31.7066 178.6723 27 R 4.0285 7.7369 116.5316 59.5066 30.1604 178.7952 28 F 3.7914 7.8934 117.5006 60.1404 38.6505 177.6195 29 E 4.1738 8.3272 118.4975 59.5697 29.2233 179.4423 30 Q 4.0829 8.2480 116.0424 58.6150 28.5684 177.9360 31 K 3.9077 7.3035 121.4209 57.6733 32.2338 177.2304 32 G 3.9672 7.5090 105.6165 45.1515 0.0000 173.7146 33 F 5.1696 7.6798 117.9649 56.7950 40.2686 174.7522 34 R 4.9915 9.0286 119.1459 54.2537 32.0635 174.7910 35 L 3.0904 8.5240 124.8810 54.8961 41.7236 176.2970 36 V 3.9229 8.5431 128.4586 65.3755 32.8008 175.6625 37 A 4.7894 7.1588 119.4163 51.0730 22.5597 174.9656 38 M 5.4605 8.4009 119.1917 54.4596 35.4200 173.9835 39 K 4.8686 9.5337 124.3750 55.4590 36.8349 174.4501 40 F 5.5132 8.6865 124.2853 56.6848 41.0961 174.3671 41 L 4.2124 8.2161 124.3540 55.2701 44.2355 174.2890 42 R 4.3153 8.3328 120.5075 54.0710 29.4788 175.2499 43 A 3.9487 8.4602 128.5627 51.8371 18.9501 178.1147 44 S 4.4413 8.3839 118.4383 58.2691 65.1826 175.1828 45 E 3.9259 8.7448 122.7784 59.5673 29.2372 179.4073 46 E 3.8871 8.0409 118.7934 59.6700 29.8969 178.0726 47 H 3.9872 8.0136 118.0747 59.3375 29.7089 177.1906 48 L 4.0119 8.2384 121.0606 57.6147 41.2335 179.5282 49 K 4.3654 8.1408 117.8168 59.6634 32.1473 179.1011 50 Q 4.1435 8.0788 118.2604 59.2657 28.4206 178.2709 51 H 4.0658 7.9378 118.1234 58.3317 29.9821 175.8433 52 Y 5.0259 8.0684 118.0103 57.6829 39.0638 177.7830 53 I 3.6840 7.5660 123.9360 64.7640 37.1156 177.3307 54 D 4.5758 8.1397 116.1183 56.0396 41.0404 176.6268 55 L 4.7524 8.2978 119.1289 54.1534 42.8501 177.7786 56 K 2.0000 7.7163 115.2531 56.9881 31.7643 177.0559 57 D 4.6905 7.3403 116.2987 53.9155 42.9995 176.1276 58 R 3.9988 7.4789 119.1653 54.7151 30.8652 175.5506 59 P 4.2132 0.0000 0.0000 65.9978 31.5298 178.6451 60 F 4.4662 7.7345 112.9283 59.6278 37.8660 177.3366 61 F 4.0384 7.5939 120.9962 60.8082 39.2781 175.5194 62 P 4.1658 0.0000 0.0000 65.5237 31.2457 178.7908 63 G 3.6678 8.0977 103.8352 47.7960 0.0000 175.0263 64 L 3.8064 8.1657 123.4165 57.8530 41.7381 179.3961 65 V 3.5035 7.3530 116.8823 65.7922 31.6376 177.5146 66 K 4.0373 8.1436 119.5354 59.9749 31.9454 177.4973 67 Y 4.0295 8.6933 119.9487 61.2606 38.5090 177.8342 68 M 4.3486 8.5926 120.0045 57.2721 31.0046 177.1185 69 N 4.9171 7.9601 116.8769 53.8625 39.5310 176.3454 70 S 4.5566 8.3219 115.3510 60.8450 63.2411 173.8385 71 G 4.1911 6.9090 107.9234 43.1671 0.0000 170.4879 72 P 4.4700 0.0000 0.0000 62.7224 32.7201 175.7012 73 V 4.7211 8.8935 114.4846 59.6250 36.1811 174.7526 74 V 4.8434 8.5365 121.8134 61.4589 33.4590 174.0507 75 A 4.6566 8.9046 130.7917 50.8848 21.0015 175.6251 76 M 5.4108 8.7451 120.8127 53.8285 37.6248 174.1949 77 V 4.7485 8.1364 119.3626 60.9951 34.8196 174.1570 78 W 5.1274 9.1384 127.5627 54.8326 32.3585 174.2133 79 E 5.0936 10.3852 125.1007 53.6967 32.3000 175.2727 80 G 4.8475 7.9997 116.0666 44.6537 0.0000 171.4520 81 L 3.9833 8.5630 122.0132 56.2345 41.9907 175.8471 82 N 4.6425 8.8662 123.7089 54.7179 37.4916 175.8531 83 V 3.0623 7.7430 117.9442 65.6614 31.4042 177.6216 84 V 3.5436 8.2604 117.6400 65.9615 31.4567 177.8405 85 K 3.9434 7.9656 118.8005 59.8526 32.1816 178.7560 86 T 4.0525 8.1280 110.2668 64.5939 68.7233 176.4304 87 G 3.7371 8.3571 109.0359 47.9476 0.0000 175.8550 88 R 4.0114 7.9386 120.4692 58.7263 29.7826 179.3396 89 V 3.5884 7.3689 116.9685 66.3193 31.7718 177.7472 90 M 4.1191 8.2557 118.7182 58.2715 31.7214 178.7686 91 L 4.0704 7.9559 119.4596 55.9597 41.8061 177.6236 92 G 3.9720 8.0674 104.0054 44.0415 0.0000 172.5923 93 E 4.1898 7.7294 117.8485 56.3164 29.8361 178.0116 94 T 3.8414 8.4860 118.3407 66.0068 68.9242 173.9507 95 N 4.6664 7.9338 120.3428 51.2901 38.7382 173.2563 96 P 4.3547 0.0000 0.0000 65.5056 31.6605 178.7295 97 A 4.0056 8.5566 120.6478 54.4154 18.2952 177.7628 98 D 4.7658 8.0985 113.6808 54.3423 41.9630 176.8716 99 S 4.3092 7.4470 116.6885 58.3809 63.3240 174.5075 100 K 4.2868 8.6331 124.1278 55.1795 33.4836 174.7030 101 P 4.2885 0.0000 0.0000 64.2388 31.2371 176.0428 102 G 3.9817 8.9921 112.4734 45.9569 0.0000 174.9139 103 T 4.4406 7.6245 110.3370 60.2535 71.6896 175.6970 104 I 3.8685 8.2258 122.9778 65.0624 37.2480 179.1034 105 R 4.1091 8.2054 118.6350 59.2929 29.7274 179.4964 106 G 3.5928 7.8828 104.3121 47.3913 0.0000 174.7569 107 D 4.3041 7.9615 120.1181 55.1928 41.3226 177.2592 108 F 5.0125 7.9118 115.5233 57.2562 40.6774 174.6685 109 C 5.0362 8.1719 113.9786 56.6273 32.8422 173.1768 110 I 4.2636 8.4682 117.9245 62.6793 38.8554 176.0843 111 Q 4.5433 7.6282 120.5182 54.1857 30.4967 176.3564 112 V 3.5711 8.4248 123.4228 65.8717 31.9689 177.4895 113 G 3.8031 8.2684 107.7583 48.1302 0.0000 173.9984 114 R 4.6562 7.4658 119.5690 54.2512 29.2887 175.2749 115 N 4.8511 7.9840 116.6408 52.3618 38.6056 177.5809 116 I 2.7581 8.4257 111.5879 63.8171 38.8128 172.9191 117 I 5.0909 8.4773 118.8147 59.9068 41.5890 173.4558 118 H 5.0086 9.4296 125.1313 54.2887 33.1787 172.2819 119 G 4.3284 8.3075 110.9353 43.9994 0.0000 172.4369 120 S 4.5930 8.3601 119.7197 58.7028 63.5018 175.3751 121 D 4.5599 8.9853 122.9753 55.1906 40.1085 176.4867 122 S 4.5952 7.4665 113.3338 56.4975 66.5357 176.1714 123 V 3.5814 8.2274 115.9469 64.3390 31.2903 178.8080 124 K 3.9166 7.9640 118.8527 59.7834 32.1858 178.9655 125 S 4.1507 8.0480 114.9333 61.2881 62.6328 176.3307 126 A 4.3893 8.6184 125.2912 54.8955 18.1744 179.6253 127 E 3.9908 8.2553 116.7431 59.4215 29.4027 179.5753 128 K 3.9112 7.9509 118.0924 59.5182 32.1762 178.8743 129 E 3.9028 8.6000 118.8363 59.7765 29.5112 179.5402 130 I 4.0024 8.1271 119.8883 64.8872 36.9626 178.7097 131 S 4.2750 7.9801 114.7941 61.4625 62.7442 176.1818 132 L 4.0260 7.9908 122.3990 57.4755 41.8828 178.2919 133 W 4.2846 8.6952 117.7606 56.5182 29.8697 176.4396 134 F 5.2281 8.1194 115.9945 55.4439 41.7572 174.6132 135 K 4.5980 9.3672 123.0484 54.1647 33.5490 176.2623 136 P 4.3103 0.0000 0.0000 66.0068 30.9195 177.2584 137 E 4.1851 8.1094 116.5556 56.9919 29.8524 176.5014 138 E 4.2142 8.5679 117.2528 58.6337 30.0581 176.3190 139 L 4.2754 7.2597 118.1442 53.9583 41.5473 176.9104 140 V 3.9550 8.5846 125.5274 62.5137 32.4167 174.9202 141 D 5.1068 8.7375 127.5358 52.7777 42.6220 175.0590 142 Y 4.8017 8.0470 120.2960 55.7187 41.1211 173.5123 143 K 4.4046 8.4272 120.6630 53.9307 34.5392 175.5917 144 S 4.4455 8.5527 121.4443 58.2857 63.4863 175.0911 145 C 4.2237 8.9807 118.7590 60.5095 29.6761 174.0975 146 A 4.8853 7.9994 122.0653 52.2907 19.2871 177.3857 147 H 4.2053 8.4541 119.8767 60.6655 29.6030 176.9576 148 D 4.3775 8.1050 117.3016 55.7692 40.7904 177.3522 149 W 4.7406 8.0584 118.3993 57.1125 29.8232 177.3058 150 V 3.9666 7.5118 116.6619 63.3272 31.8740 174.6999 151 Y 4.4101 7.8717 120.4427 58.0708 38.6602 174.9160 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 M 8.30 4.31 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 A 8.29 4.24 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 3 N 8.16 4.42 0.00 2.60 2.64 0.00 0.00 6.99 7.78 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 4 L 8.17 4.66 0.00 1.64 0.90 0.77 0.52 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 5 E 8.16 5.09 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 6 R 7.92 4.89 0.00 1.78 1.75 0.00 3.13 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 7 T 9.20 4.78 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 1.18 0.00 0.00 8 F 8.79 5.18 0.00 3.24 3.13 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 9 I 8.04 4.54 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.29 0.58 0.00 0.00 10 A 8.43 4.70 0.70 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 11 I 8.76 4.43 1.90 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 1.23 0.92 0.99 0.00 0.00 12 K 8.86 4.40 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.45 7.81 13 P 0.00 4.52 0.00 2.27 2.19 0.00 4.00 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 14 D 8.29 4.50 0.00 2.94 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 15 G 8.24 3.61 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 0.00 0.00 0.00 16 V 7.73 3.63 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 1.40 0.00 0.00 1.19 0.00 0.00 17 Q 8.20 4.05 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 18 R 7.97 4.40 0.00 1.88 1.96 0.00 3.34 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 19 G 8.18 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 20 L 7.81 4.42 0.00 1.68 1.28 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.89 3.67 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 1.15 0.00 0.00 0.96 0.00 0.00 22 G 8.01 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 23 E 8.05 3.97 0.00 1.83 1.79 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 2.32 2.17 0.00 24 I 7.77 3.77 2.07 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 1.58 0.87 1.05 0.00 0.00 25 I 8.05 3.94 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.09 1.24 0.00 0.00 26 K 8.45 4.04 0.00 1.96 2.10 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 27 R 7.74 4.03 0.00 1.96 1.81 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 28 F 7.89 3.79 0.00 2.12 1.45 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 29 E 8.33 4.17 0.00 2.31 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 2.77 2.87 0.00 30 Q 8.25 4.08 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 31 K 7.30 3.91 0.00 1.49 1.72 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.77 0.45 7.81 32 G 7.51 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 33 F 7.68 5.17 0.00 3.30 3.29 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 34 R 9.03 4.99 0.00 1.80 2.12 0.00 2.62 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 35 L 8.52 3.09 0.00 1.17 1.41 0.74 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.54 3.92 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 0.89 0.00 0.00 0.82 0.00 0.00 37 A 7.16 4.79 0.72 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 0.00 0.00 38 M 8.40 5.46 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 39 K 9.53 4.87 0.00 1.91 1.99 0.00 1.22 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.29 1.43 7.81 40 F 8.69 5.51 0.00 2.95 3.03 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 0.00 0.00 0.00 41 L 8.22 4.21 0.00 1.67 1.68 0.86 0.62 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 42 R 8.33 4.32 0.00 1.68 1.84 0.00 3.21 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 A 8.46 3.95 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 44 S 8.38 4.44 0.00 4.02 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 45 E 8.74 3.93 0.00 2.02 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 2.39 2.37 0.00 46 E 8.04 3.89 0.00 2.02 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 2.35 2.36 0.00 47 H 8.01 3.99 0.00 3.04 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.24 4.01 0.00 1.92 1.90 1.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.14 4.37 0.00 2.01 2.18 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.87 7.81 50 Q 8.08 4.14 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 51 H 7.94 4.07 0.00 3.02 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.07 5.03 0.00 3.58 3.30 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 53 I 7.57 3.68 1.87 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 1.53 1.13 0.88 0.00 0.00 54 D 8.14 4.58 0.00 2.71 2.76 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 55 L 8.30 4.75 0.00 2.06 1.78 1.30 0.61 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 56 K 7.72 2.00 0.00 0.85 0.90 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.12 7.81 57 D 7.34 4.69 0.00 2.50 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 58 R 7.48 4.00 0.00 1.28 0.66 0.00 3.02 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 59 P 0.00 4.21 0.00 2.04 2.14 0.00 3.35 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 60 F 7.73 4.47 0.00 3.22 3.35 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 61 F 7.59 4.04 0.00 3.21 3.12 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 62 P 0.00 4.17 0.00 2.23 2.11 0.00 3.91 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 63 G 8.10 3.67 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 0.00 0.00 0.00 64 L 8.17 3.81 0.00 1.64 1.75 0.39 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.35 3.50 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 0.82 0.00 0.00 0.19 0.00 0.00 66 K 8.14 4.04 0.00 1.89 2.06 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 67 Y 8.69 4.03 0.00 3.30 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 68 M 8.59 4.35 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.86 0.00 69 N 7.96 4.92 0.00 2.79 3.02 0.00 0.00 6.81 7.75 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 70 S 8.32 4.56 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.91 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 72 P 0.00 4.47 0.00 0.85 1.74 0.00 3.64 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 2.09 2.03 0.00 73 V 8.89 4.72 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 0.86 0.00 0.00 1.11 0.00 0.00 74 V 8.54 4.84 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 1.04 0.00 0.00 1.25 0.00 0.00 75 A 8.90 4.66 1.28 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 0.00 0.00 76 M 8.75 5.41 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 77 V 8.14 4.75 1.63 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 0.96 0.00 0.00 0.34 0.00 0.00 78 W 9.14 5.13 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.39 5.09 0.00 1.99 1.80 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 2.28 2.44 0.00 80 G 8.00 4.85 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 81 L 8.56 3.98 0.00 1.77 2.01 1.04 1.13 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 82 N 8.87 4.64 0.00 3.04 2.97 0.00 0.00 7.27 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 83 V 7.74 3.06 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 0.19 0.00 0.00 0.96 0.00 0.00 84 V 8.26 3.54 2.17 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 0.98 0.00 0.00 0.96 0.00 0.00 85 K 7.97 3.94 0.00 1.89 2.10 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 86 T 8.13 4.05 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 1.31 0.00 0.00 87 G 8.36 3.74 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 0.00 88 R 7.94 4.01 0.00 2.05 2.01 0.00 3.31 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 89 V 7.37 3.59 2.26 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 0.81 0.00 0.00 1.03 0.00 0.00 90 M 8.26 4.12 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.41 0.00 91 L 7.96 4.07 0.00 1.97 1.74 1.22 0.77 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 92 G 8.07 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 93 E 7.73 4.19 0.00 2.15 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 2.40 2.44 0.00 94 T 8.49 3.84 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 1.21 0.00 0.00 95 N 7.93 4.67 0.00 2.70 2.71 0.00 0.00 7.21 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 96 P 0.00 4.35 0.00 2.40 2.28 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 97 A 8.56 4.01 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 98 D 8.10 4.77 0.00 2.62 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 99 S 7.45 4.31 0.00 3.87 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 0.00 100 K 8.63 4.29 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.39 7.81 101 P 0.00 4.29 0.00 1.88 1.93 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 102 G 8.99 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 0.00 0.00 0.00 0.00 103 T 7.62 4.44 4.33 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 1.25 0.00 0.00 104 I 8.23 3.87 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.86 1.11 0.00 0.00 105 R 8.21 4.11 0.00 1.95 1.99 0.00 3.44 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 106 G 7.88 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.96 4.30 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 0.00 108 F 7.91 5.01 0.00 3.13 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 0.00 109 C 8.17 5.04 0.00 3.21 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 0.00 110 I 8.47 4.26 1.89 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 1.31 0.70 0.92 0.00 0.00 111 Q 7.63 4.54 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 112 V 8.42 3.57 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 0.82 0.00 0.00 0.96 0.00 0.00 113 G 8.27 3.80 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 0.00 0.00 0.00 114 R 7.47 4.66 0.00 1.83 2.13 0.00 3.39 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 115 N 7.98 4.85 0.00 2.87 3.09 0.00 0.00 6.06 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 0.00 116 I 8.43 2.76 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 1.01 0.00 0.00 117 I 8.48 5.09 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 1.02 0.00 0.00 118 H 9.43 5.01 0.00 3.28 3.05 0.00 5.77 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 0.00 119 G 8.31 4.33 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 0.00 120 S 8.36 4.59 0.00 3.85 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 0.00 121 D 8.99 4.56 0.00 2.83 2.85 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 0.00 122 S 7.47 4.60 0.00 4.03 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 0.00 123 V 8.23 3.58 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 0.79 0.00 0.00 0.95 0.00 0.00 124 K 7.96 3.92 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 125 S 8.05 4.15 0.00 4.12 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 0.00 126 A 8.62 4.39 1.45 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 0.00 0.00 127 E 8.26 3.99 0.00 2.03 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 2.53 2.51 0.00 128 K 7.95 3.91 0.00 2.04 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 129 E 8.60 3.90 0.00 2.02 1.38 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 2.23 2.54 0.00 130 I 8.13 4.00 2.09 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 1.71 0.86 0.99 0.00 0.00 131 S 7.98 4.27 0.00 4.03 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 0.00 132 L 7.99 4.03 0.00 1.71 1.88 0.35 0.90 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 0.00 133 W 8.70 4.28 0.00 3.01 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 0.00 134 F 8.12 5.23 0.00 3.14 2.99 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 0.00 135 K 9.37 4.60 0.00 1.84 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 136 P 0.00 4.31 0.00 2.23 2.37 0.00 3.73 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 2.11 2.01 0.00 137 E 8.11 4.19 0.00 1.97 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 2.30 2.34 0.00 138 E 8.57 4.21 0.00 2.30 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 0.00 2.41 2.44 0.00 139 L 7.26 4.28 0.00 1.64 1.57 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.58 3.95 2.18 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 0.77 0.00 0.00 1.00 0.00 0.00 141 D 8.74 5.11 0.00 2.59 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 0.00 142 Y 8.05 4.80 0.00 3.05 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 0.00 143 K 8.43 4.40 0.00 1.65 1.72 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.30 7.81 144 S 8.55 4.45 0.00 4.18 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 0.00 145 C 8.98 4.22 0.00 3.19 3.20 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 0.00 146 A 8.00 4.89 1.43 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 0.00 0.00 147 H 8.45 4.21 0.00 3.42 3.42 0.00 5.59 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 0.00 148 D 8.10 4.38 0.00 2.34 2.34 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 0.00 149 W 8.06 4.74 0.00 3.40 3.15 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 0.00 150 V 7.51 3.97 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 0.13 0.00 0.00 0.87 0.00 0.00 151 Y 7.87 4.41 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.