NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9295 8.3549 109.7378 45.4334 0.0000 173.4147 0 S 4.4724 8.3074 118.8337 57.5247 64.9474 171.4376 1 M 5.1408 9.2824 122.2707 53.8006 35.4459 174.8083 2 K 4.9075 9.0139 120.3245 54.5763 36.9842 175.1049 3 K 4.7338 9.1999 125.7237 55.2554 33.9610 175.2224 4 V 4.6021 8.9919 128.5648 61.6953 33.1848 174.0919 5 E 5.1870 9.3659 128.4724 54.5612 32.0433 174.9264 6 A 4.9675 9.1942 126.4582 50.0790 22.4126 174.6799 7 I 4.8704 8.5905 124.3761 59.8015 38.9986 174.9707 8 I 4.8313 8.6417 120.5870 58.4143 41.8635 175.0309 9 R 4.2641 8.3634 120.8174 55.4899 30.7427 176.4868 10 P 4.2683 0.0000 0.0000 65.5745 31.4946 177.9644 11 E 4.2184 8.1314 113.6217 57.6287 29.9448 177.7099 12 K 4.3851 7.9622 119.1034 56.3257 32.5374 177.7295 13 L 3.9357 7.6538 121.8780 58.2807 42.0708 178.6713 14 E 3.9513 8.0835 117.9020 59.4320 29.4428 179.0831 15 I 3.6921 7.6531 118.1738 64.0058 38.0778 177.9269 16 V 3.5589 7.8358 119.1736 65.8512 31.3420 177.8824 17 K 3.9179 8.4080 119.8206 59.3196 31.9940 178.7413 18 K 3.9148 8.1940 119.6653 59.4338 32.0485 178.5937 19 A 4.0302 8.1741 121.1762 55.2266 18.2237 179.6043 20 L 4.0891 8.2724 117.7121 58.0492 41.7366 179.7110 21 S 4.0986 8.3027 113.1092 61.5978 62.1376 175.9660 22 D 4.3885 8.4516 120.6051 56.7738 40.5890 177.6199 23 A 4.3935 7.4821 118.9386 51.8969 19.0392 177.9091 24 G 3.6147 8.0379 106.4696 45.3356 0.0000 174.2253 25 Y 4.5074 7.4596 118.1461 56.6396 36.8187 174.9741 26 V 3.9910 8.1151 124.0922 63.1890 32.8801 176.1260 27 G 3.9068 8.0428 108.7151 45.0524 0.0000 172.3717 28 M 5.0824 8.2381 122.1019 53.7057 34.7617 174.3099 29 T 4.6963 8.9622 117.0574 61.7921 71.7491 173.2621 30 V 5.0474 8.4534 125.3672 61.1081 34.1829 174.6388 31 S 4.8019 8.9524 121.1256 56.6127 66.8951 172.6046 32 E 4.6611 8.7505 121.2269 56.0342 30.4098 175.9762 33 V 4.6606 8.7397 116.8092 59.6314 36.6479 174.1970 34 K 5.1237 8.6819 119.4271 54.8768 35.4092 176.4830 35 G 4.2517 9.2453 110.0193 44.1970 0.0000 172.0408 36 R 4.6675 8.7818 122.5595 55.6430 30.3985 176.7640 37 G 4.1259 8.5297 112.5533 46.7277 0.0000 173.6138 38 V 3.8848 8.4889 120.0943 62.8626 32.9327 177.5149 *41 G 3.8696 8.0469 108.5228 44.2018 0.0000 173.0231 42 I 4.6667 5.4823 110.4052 58.2786 41.5531 176.7711 43 V 4.1648 8.4687 126.1017 61.7574 32.0821 175.1458 44 E 4.5908 8.8769 124.9511 54.2472 33.0808 174.9121 45 R 4.6074 8.1690 118.0452 55.9266 33.7458 173.5414 46 Y 4.8876 9.0386 118.5284 57.3066 41.1979 176.2501 47 R 4.2171 8.0477 120.5012 55.4947 30.9038 177.3491 48 G 3.9941 8.1781 106.7869 45.3319 0.0000 173.4433 49 R 4.3338 7.6385 120.6799 55.0916 30.8727 174.8109 50 E 4.8324 8.6431 123.8223 55.9197 31.4350 174.7455 51 Y 5.0466 8.8519 119.0827 55.4492 42.4838 173.9082 52 I 4.9082 8.3990 119.3218 59.4782 39.9726 175.5860 53 V 3.9234 8.1059 127.5759 62.6156 32.2393 175.8925 54 D 4.3306 9.0778 128.3119 56.9661 42.1247 175.2462 55 L 5.0719 7.8245 117.4851 53.3217 43.1863 175.5493 56 I 4.5387 8.6772 125.3993 58.5685 39.9017 173.6037 57 P 4.7598 0.0000 0.0000 63.4542 31.8823 175.6072 58 K 4.7685 9.3132 122.5511 54.7957 37.4975 174.9276 59 V 4.7722 8.6766 120.7584 61.1200 34.4132 173.9524 60 K 4.9102 9.0848 129.7192 55.2209 33.9201 174.8194 61 I 4.9650 8.8980 128.8237 59.6073 39.8504 174.4035 62 E 5.3121 9.3582 126.5063 54.3500 32.8571 174.9409 63 L 4.9669 8.9019 124.3276 53.9486 43.8776 175.3825 64 V 4.7142 8.4957 123.1895 61.7181 32.6703 175.0964 65 V 4.7086 8.8169 120.3562 59.0106 36.6639 175.2562 66 K 4.3863 8.6316 121.1605 56.5185 32.8652 177.8293 67 E 3.9175 9.0523 124.0172 59.7124 29.1954 179.3709 68 E 4.0793 8.1979 115.7579 58.8399 29.9287 177.7216 69 D 4.7159 8.2792 118.8509 54.6087 41.2712 178.4087 70 V 3.4986 7.5335 119.7872 66.0640 31.5695 177.4563 71 D 4.3194 8.0246 118.0283 57.3792 40.7112 178.1758 72 N 4.2891 8.0682 116.9126 56.6682 39.0725 176.7383 73 V 3.3010 7.6673 119.5970 66.0514 31.4693 178.0173 74 I 3.6420 7.7813 119.3957 64.3732 36.8561 178.1207 75 D 4.3189 8.1072 119.5964 57.4376 40.7807 178.8135 76 I 3.6903 7.8116 120.1583 64.5263 37.1075 178.5634 77 I 3.6686 7.7863 120.3483 64.5855 36.8620 178.3020 78 C 4.0900 8.1773 117.5551 62.9501 27.7528 176.0851 79 E 3.9657 8.1741 118.9532 59.2343 29.1503 178.5521 80 N 4.6032 8.0079 113.9733 54.3753 39.1234 176.5102 81 A 4.3663 7.9602 121.2652 52.2622 19.8020 177.8523 82 R 4.2767 7.1126 113.6264 56.4053 30.1619 176.6248 83 T 4.4238 9.4302 108.0425 60.6611 70.0470 175.0972 84 G 3.9435 8.7779 110.0298 45.3089 0.0000 172.7101 85 N 4.9965 7.3758 116.7479 50.1553 40.9594 172.4861 86 P 4.1975 0.0000 0.0000 64.9230 31.7577 176.5271 87 G 4.0663 8.9243 110.1303 45.5335 0.0000 174.2089 88 D 4.2715 7.3889 120.5279 55.5156 40.9167 175.0644 89 G 4.1801 7.8245 102.2318 44.5561 0.0000 172.4230 90 K 4.5767 8.1577 115.9683 54.6242 36.7606 175.7102 91 I 4.6371 7.8505 122.1971 59.4398 40.1356 174.9797 92 F 5.1315 9.0865 124.6726 55.6503 42.5347 174.1287 93 V 4.8790 8.6010 122.3093 61.2525 33.4585 174.6335 94 I 4.7554 8.7455 128.9173 58.4811 40.4060 173.2856 95 P 4.6279 0.0000 0.0000 62.8725 32.0894 175.6337 96 V 4.3628 8.0511 122.8096 61.4041 32.6129 175.3481 97 E 4.2766 9.0236 127.3092 58.0384 30.1331 176.5897 98 R 4.6145 7.4840 116.6491 54.8292 33.2405 173.6916 99 V 4.5134 8.2888 123.2616 61.0966 34.8326 174.0791 100 V 4.9618 8.3167 126.5773 61.0624 34.5854 174.3961 101 R 4.1949 9.0714 129.0451 55.6205 30.6410 177.2167 102 V 3.5709 8.6738 126.6295 66.1176 31.9595 177.0533 103 R 4.0301 8.2028 118.5777 59.0630 30.0389 176.9178 104 T 4.3900 7.7722 104.6095 60.4000 69.4853 174.5539 105 K 3.9812 8.3963 119.6457 57.1559 30.7466 175.1073 106 E 4.0697 7.7434 120.2634 56.2874 30.0116 175.6017 107 E 5.7006 7.7218 122.4077 53.6365 34.1709 177.6208 108 G 3.6359 8.0614 107.3253 47.5252 0.0000 175.5936 109 K 4.1905 8.3799 119.4772 59.6903 32.9755 178.4922 110 E 3.9434 8.2567 116.8091 59.3291 29.5361 178.5357 111 A 3.9783 7.7929 120.4212 54.3899 18.5069 177.2501 112 L 4.3647 7.4956 116.0840 53.3212 41.1271 176.8432 113 L 4.1019 8.4430 123.2112 55.9348 40.0418 177.3323 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 G 8.35 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.31 4.47 0.00 4.03 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 1 M 9.28 5.14 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 2 K 9.01 4.91 0.00 1.58 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 9.20 4.73 0.00 1.79 1.69 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.38 7.81 4 V 8.99 4.60 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 0.91 0.00 0.00 0.87 0.00 0.00 5 E 9.37 5.19 0.00 2.07 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 2.28 2.31 0.00 6 A 9.19 4.97 1.11 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 0.00 0.00 7 I 8.59 4.87 1.84 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 1.29 1.17 0.92 0.00 0.00 8 I 8.64 4.83 1.85 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 1.31 0.88 0.87 0.00 0.00 9 R 8.36 4.26 0.00 1.89 2.19 0.00 3.13 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.27 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 11 E 8.13 4.22 0.00 2.07 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 2.27 2.27 0.00 12 K 7.96 4.39 0.00 1.93 1.85 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.73 7.81 13 L 7.65 3.94 0.00 1.78 1.75 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.08 3.95 0.00 2.02 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 2.40 2.31 0.00 15 I 7.65 3.69 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 1.52 1.45 0.98 0.00 0.00 16 V 7.84 3.56 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 1.02 0.00 0.00 0.94 0.00 0.00 17 K 8.41 3.92 0.00 1.96 2.00 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 K 8.19 3.91 0.00 1.97 1.79 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 A 8.17 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 20 L 8.27 4.09 0.00 1.89 2.01 0.91 0.95 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 21 S 8.30 4.10 0.00 4.07 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 22 D 8.45 4.39 0.00 2.80 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 23 A 7.48 4.39 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 24 G 8.04 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 25 Y 7.46 4.51 0.00 2.97 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 26 V 8.12 3.99 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 0.97 0.00 0.00 27 G 8.04 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 0.00 0.00 0.00 28 M 8.24 5.08 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 29 T 8.96 4.70 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 1.22 0.00 0.00 30 V 8.45 5.05 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 0.84 0.00 0.00 0.94 0.00 0.00 31 S 8.95 4.80 0.00 3.89 3.89 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 0.00 0.00 0.00 32 E 8.75 4.66 0.00 1.88 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 2.29 2.34 0.00 33 V 8.74 4.66 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 0.78 0.00 0.00 0.99 0.00 0.00 34 K 8.68 5.12 0.00 1.60 1.67 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.25 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 0.00 0.00 0.00 0.00 36 R 8.78 4.67 0.00 1.73 1.92 0.00 3.20 0.00 0.00 3.62 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 37 G 8.53 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 0.00 0.00 0.00 38 V 8.49 3.88 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 0.75 0.00 0.00 0.93 0.00 0.00 *41 G 8.05 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 42 I 5.48 4.67 1.83 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 1.27 1.03 0.89 0.00 0.00 43 V 8.47 4.16 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 0.67 0.00 0.00 0.90 0.00 0.00 44 E 8.88 4.59 0.00 1.16 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 2.09 2.14 0.00 45 R 8.17 4.61 0.00 1.65 1.83 0.00 3.15 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 46 Y 9.04 4.89 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.05 4.22 0.00 1.31 1.63 0.00 2.35 0.00 0.00 2.89 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.00 48 G 8.18 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 49 R 7.64 4.33 0.00 1.88 1.89 0.00 3.22 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 50 E 8.64 4.83 0.00 2.12 1.92 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 2.26 2.32 0.00 51 Y 8.85 5.05 0.00 2.96 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 52 I 8.40 4.91 1.91 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 1.23 0.70 0.91 0.00 0.00 53 V 8.11 3.92 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 0.97 0.00 0.00 1.14 0.00 0.00 54 D 9.08 4.33 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 5.07 0.00 1.57 1.60 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.68 4.54 1.88 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 0.90 0.91 0.00 0.00 57 P 0.00 4.76 0.00 1.93 2.01 0.00 3.63 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 2.04 2.14 0.00 58 K 9.31 4.77 0.00 1.60 1.79 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.51 7.81 59 V 8.68 4.77 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 1.02 0.00 0.00 0.93 0.00 0.00 60 K 9.08 4.91 0.00 1.87 1.67 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 61 I 8.90 4.96 1.85 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 1.23 0.45 0.90 0.00 0.00 62 E 9.36 5.31 0.00 1.85 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 2.23 2.23 0.00 63 L 8.90 4.97 0.00 1.64 1.88 0.83 0.51 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 64 V 8.50 4.71 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 0.83 0.00 0.00 0.94 0.00 0.00 65 V 8.82 4.71 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 0.65 0.00 0.00 0.91 0.00 0.00 66 K 8.63 4.39 0.00 2.02 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.47 7.81 67 E 9.05 3.92 0.00 2.16 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 2.32 2.35 0.00 68 E 8.20 4.08 0.00 2.18 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 2.31 2.44 0.00 69 D 8.28 4.72 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 71 D 8.02 4.32 0.00 2.76 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 72 N 8.07 4.29 0.00 2.89 3.01 0.00 0.00 6.78 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 73 V 7.67 3.30 1.97 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 0.77 0.00 0.00 0.14 0.00 0.00 74 I 7.78 3.64 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.87 0.00 0.00 75 D 8.11 4.32 0.00 2.89 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 76 I 7.81 3.69 2.01 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 1.56 1.25 0.99 0.00 0.00 77 I 7.79 3.67 1.81 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 1.48 0.66 0.86 0.00 0.00 78 C 8.18 4.09 0.00 3.08 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 79 E 8.17 3.97 0.00 2.02 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 2.34 2.34 0.00 80 N 8.01 4.60 0.00 2.79 2.86 0.00 0.00 6.97 7.17 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 81 A 7.96 4.37 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 82 R 7.11 4.28 0.00 1.89 2.02 0.00 3.00 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.55 0.00 83 T 9.43 4.42 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 1.20 0.00 0.00 84 G 8.78 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 0.00 0.00 0.00 85 N 7.38 5.00 0.00 2.92 2.69 0.00 0.00 6.93 7.91 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 86 P 0.00 4.20 0.00 2.02 2.02 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 87 G 8.92 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 88 D 7.39 4.27 0.00 2.65 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 89 G 7.82 4.18 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 0.00 90 K 8.16 4.58 0.00 1.29 1.20 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 91 I 7.85 4.64 1.72 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 1.21 0.46 0.86 0.00 0.00 92 F 9.09 5.13 0.00 2.91 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 93 V 8.60 4.88 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 0.82 0.00 0.00 0.93 0.00 0.00 94 I 8.75 4.76 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 1.30 0.56 0.91 0.00 0.00 95 P 0.00 4.63 0.00 2.07 2.06 0.00 3.71 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 1.98 1.96 0.00 96 V 8.05 4.36 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 0.84 0.00 0.00 0.96 0.00 0.00 97 E 9.02 4.28 0.00 2.00 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 2.29 2.29 0.00 98 R 7.48 4.61 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 99 V 8.29 4.51 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 0.93 0.00 0.00 0.94 0.00 0.00 100 V 8.32 4.96 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 0.93 0.00 0.00 101 R 9.07 4.19 0.00 1.90 1.78 0.00 3.16 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 102 V 8.67 3.57 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 0.82 0.00 0.00 0.93 0.00 0.00 103 R 8.20 4.03 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.77 4.39 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 0.00 105 K 8.40 3.98 0.00 1.92 1.93 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.50 7.81 106 E 7.74 4.07 0.00 1.95 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 2.31 2.29 0.00 107 E 7.72 5.70 0.00 1.95 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 2.19 2.22 0.00 108 G 8.06 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.38 4.19 0.00 1.86 1.80 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 110 E 8.26 3.94 0.00 2.12 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 0.00 2.32 2.38 0.00 111 A 7.79 3.98 1.37 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 0.00 112 L 7.50 4.36 0.00 1.76 1.68 0.97 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 0.00 113 L 8.44 4.10 0.00 1.75 1.69 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.