NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3480 0.0000 0.0000 62.6322 32.8105 175.0498 10 M 4.0874 8.9229 118.4976 53.8598 33.1234 177.0443 11 R 3.4104 8.2244 123.5309 58.7009 32.6928 176.5936 12 R 4.5984 8.3774 115.2094 55.7063 30.2334 176.8313 13 R 4.7494 7.8892 114.5653 56.1135 31.2381 175.3994 14 R 4.6742 7.9065 111.3208 55.2491 32.7252 175.7375 15 E 3.7436 8.6727 118.8298 56.4988 27.9988 176.5746 16 A 4.8561 10.1626 110.6187 50.7787 20.3609 177.3024 17 R 4.5101 8.6582 125.5416 57.1269 28.3862 176.7626 18 T 4.1920 7.3466 108.8080 63.3648 67.6597 172.8509 19 D 4.3313 9.0983 117.0364 56.5264 45.8487 178.7643 20 Y 3.9681 8.5381 119.0347 59.9317 40.0585 177.4108 21 H 3.8239 6.4913 116.7577 58.0887 28.8293 176.8475 22 Q 4.1542 10.1203 114.5745 57.2389 28.8801 177.3963 23 R 4.2021 8.7170 120.3693 59.1048 30.4723 178.0184 24 L 4.0074 7.9362 118.0234 57.3999 41.2371 179.1015 25 R 3.8436 7.9115 118.6776 59.8672 30.1681 178.2082 26 L 4.1445 7.9129 117.4411 56.8660 41.5046 178.5018 27 L 3.8040 8.0432 120.0129 59.2575 41.9702 179.4724 28 K 4.5321 7.0097 117.9789 56.9666 33.3161 176.0071 29 S 4.4668 7.6757 110.2182 57.7020 67.0852 174.5555 30 G 4.1247 9.3621 108.4981 45.3031 0.0000 174.7363 31 K 4.3396 7.8528 115.3721 54.7548 35.7971 172.0942 32 P 4.8991 0.0000 0.0000 62.9444 32.1371 177.8985 33 R 4.1955 9.1622 123.2505 57.8904 29.0685 176.8859 34 L 3.8217 7.3122 116.2338 55.0765 40.4117 178.5310 35 V 4.3753 12.0000 120.0441 64.1011 32.7158 174.5779 36 A 4.9443 8.7642 130.5946 50.1658 19.7141 175.3758 37 R 4.2639 9.0496 121.6883 56.4628 31.2434 176.3710 38 K 4.8165 8.3066 122.6517 55.1132 35.7747 176.3080 39 S 4.4265 8.7348 113.2971 59.2379 65.3742 180.1294 40 N 3.5049 8.9669 116.0461 53.9084 40.3157 175.6531 41 K 4.6110 6.9201 123.0483 57.1383 34.8350 174.0393 42 H 4.5530 12.0000 113.1939 55.4252 31.2331 173.1118 43 V 4.7824 7.5023 118.1509 61.2953 35.0817 174.4334 44 R 4.5934 9.7706 126.2611 54.7768 34.1322 173.9862 45 A 5.0845 8.1113 124.8707 49.5414 22.2480 176.4553 46 Q 4.5834 8.2163 117.9964 54.9608 31.7952 178.9538 47 L 4.5084 7.8228 115.0483 55.2855 43.3896 174.5356 48 V 4.7859 7.4594 119.2948 63.2468 32.8852 175.2159 49 T 4.6534 8.7049 125.4131 61.4585 70.6362 171.6022 *52 P 3.8920 0.0000 0.0000 64.7156 32.0175 177.1591 53 N 3.6496 9.3107 115.8223 55.2517 36.5751 177.0701 54 G 3.9082 7.5279 118.7525 46.4376 0.0000 174.5964 55 D 4.9280 9.1282 119.5243 53.1717 40.4350 173.8242 56 D 4.4533 7.4323 123.2959 53.6613 46.2505 178.0476 57 T 4.1656 8.8491 108.6772 61.6691 71.6154 173.2496 58 L 4.4129 8.5939 119.5394 58.9449 40.8737 178.4887 59 A 3.8623 6.9616 126.9878 54.4159 15.7572 177.3907 60 S 4.2359 7.7871 118.5877 60.3615 63.8271 175.4435 61 A 4.6650 7.6162 120.6911 51.6152 21.5337 174.5847 62 H 5.0959 8.3572 118.7695 54.1609 33.1260 174.7137 63 S 4.2955 8.4211 115.9988 60.8905 62.8518 176.3212 64 S 4.1929 8.1888 111.7213 61.7965 62.7833 177.1187 65 D 4.4248 6.8762 117.8913 56.7830 41.4691 177.5468 66 L 4.4041 7.6215 116.3435 54.4122 41.1582 175.5554 67 A 3.3278 8.5867 123.1136 53.2284 18.7226 176.9787 68 E 5.3744 8.2539 113.2103 54.9366 30.4772 178.2013 69 Y 2.9224 7.2292 116.3463 59.2870 36.4683 172.2499 70 G 3.8607 7.0174 107.4227 45.5439 0.0000 173.3675 71 W 5.1187 8.1513 117.5736 55.4113 30.0195 176.5328 72 E 3.4401 8.0460 114.8724 57.1799 29.7232 175.0170 *74 P 4.4097 0.0000 0.0000 62.9440 32.8199 178.8461 75 T 4.0657 9.5908 111.8181 62.5958 73.9002 176.8525 76 G 3.6191 8.8170 104.9206 47.9455 0.0000 176.0116 *80 S 4.2397 7.1537 115.2706 55.9300 65.8477 177.4707 81 A 2.9843 8.1672 114.4289 51.9869 19.9117 181.0361 82 Y 3.7318 7.5430 114.1946 58.8941 38.9004 175.3579 83 L 4.3643 9.5170 118.5784 55.3094 43.2765 180.2885 84 T 3.8163 7.9923 114.5536 66.5298 68.9233 175.7403 85 G 3.7210 8.3539 110.8773 45.8935 0.0000 177.3351 86 L 3.1695 7.7070 111.9596 54.0250 43.3970 178.6518 87 L 3.4473 7.2676 116.4559 57.9060 42.4659 180.0255 88 A 4.4820 8.2600 118.7425 55.3427 19.6911 179.4460 89 G 4.0436 8.7607 104.1584 46.9831 0.0000 175.4806 90 L 3.9736 9.8895 119.8568 57.4574 41.8980 178.8907 91 R 4.0511 8.0358 117.8626 59.9172 29.0837 177.7783 92 A 4.0950 8.1609 120.4569 54.8648 18.2870 179.1754 93 Q 4.0356 7.8419 114.6335 58.1627 28.7979 178.2608 94 E 4.2065 7.7210 119.5036 59.5411 30.2664 177.6259 95 A 4.1298 9.4246 120.8762 53.2926 18.3560 177.9506 96 G 4.3844 7.4659 115.7696 45.8467 0.0000 173.5510 97 V 4.0714 7.3734 128.2336 61.5246 31.0637 174.7412 98 E 5.0605 9.1564 118.6706 54.6597 24.8092 177.3671 99 E 4.3622 8.7149 125.2285 54.3807 30.6296 174.9504 100 A 4.9511 7.8367 125.0480 49.8009 21.4639 176.4361 101 V 3.9622 8.0246 119.7733 61.1835 33.0696 176.1130 102 L 4.4078 8.4076 122.7738 55.1237 42.9663 176.7142 103 D 4.5450 8.3738 119.4535 52.2563 42.6672 175.6059 104 I 3.7655 8.5627 121.6213 62.0168 37.2254 179.3804 105 G 3.6791 10.1308 106.2617 47.5974 0.0000 173.9051 106 L 4.0024 12.0000 125.7024 55.4770 45.2758 173.6600 107 N 3.6194 7.7487 125.4800 49.9775 43.5508 173.6936 108 S 4.2696 8.5240 114.2278 57.5470 64.2115 172.3295 109 P 3.4825 0.0000 0.0000 62.3892 30.9949 175.0743 110 T 3.8497 12.0000 114.0924 61.0853 68.4913 172.3367 111 P 4.6142 0.0000 0.0000 65.5833 33.0071 177.8567 *114 K 4.2661 8.1587 113.9781 56.3063 34.3109 180.5084 115 V 2.4800 9.3582 122.8126 62.8797 34.6168 177.6061 116 F 4.9228 5.5067 118.1461 60.9487 39.4027 176.3866 117 A 4.0776 10.1473 115.0783 55.0758 18.0275 180.5306 118 I 3.2690 8.4721 119.6674 62.8894 39.9799 175.4294 119 Q 3.4416 8.8132 115.5320 58.1024 28.6619 180.4461 120 E 3.8718 9.6575 119.4313 59.9399 29.6789 180.5919 121 G 3.4564 9.2261 99.7523 46.3345 0.0000 175.9773 122 A 3.4963 7.5594 119.0552 54.0437 19.0371 180.5348 123 I 2.8493 7.9715 110.8148 62.3830 38.0421 177.0354 124 D 4.8737 7.5619 124.8676 58.0718 41.7027 178.7912 125 A 4.1162 10.2348 119.9059 52.7531 18.1913 179.3677 126 G 3.9578 9.3892 104.8279 45.6538 0.0000 174.9120 127 L 4.3907 7.8367 122.5278 54.9473 40.6579 174.7481 128 D 4.2481 6.6135 120.3388 51.4482 42.2728 177.1973 129 I 3.8810 8.0413 122.5578 62.2548 38.0817 174.0925 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 9 P 0.00 4.35 0.00 2.16 2.17 0.00 3.72 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 1.89 1.96 0.00 10 M 8.92 4.09 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 11 R 8.22 3.41 0.00 1.95 2.09 0.00 3.01 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 12 R 8.38 4.60 0.00 2.00 2.06 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 13 R 7.89 4.75 0.00 1.73 2.06 0.00 3.19 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 14 R 7.91 4.67 0.00 1.89 1.96 0.00 3.37 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 15 E 8.67 3.74 0.00 1.95 1.72 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 2.30 2.31 0.00 16 A 10.16 4.86 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 17 R 8.66 4.51 0.00 1.84 2.41 0.00 3.44 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 18 T 7.35 4.19 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 1.41 0.00 0.00 19 D 9.10 4.33 0.00 2.86 2.51 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 20 Y 8.54 3.97 0.00 3.18 3.33 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 21 H 6.49 3.82 0.00 2.52 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 10.12 4.15 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 23 R 8.72 4.20 0.00 1.85 2.20 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 1.60 1.67 0.00 24 L 7.94 4.01 0.00 1.72 1.68 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.91 3.84 0.00 1.74 2.04 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 7.91 4.14 0.00 1.85 1.69 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.04 3.80 0.00 1.64 1.98 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.01 4.53 0.00 1.72 1.72 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 S 7.68 4.47 0.00 3.78 3.71 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 30 G 9.36 4.12 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 0.00 0.00 0.00 31 K 7.85 4.34 0.00 1.89 2.00 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 1.02 7.81 32 P 0.00 4.90 0.00 2.11 2.20 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.86 0.00 33 R 9.16 4.20 0.00 1.85 1.97 0.00 3.33 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 34 L 7.31 3.82 0.00 1.61 1.83 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 35 V 12.00 4.38 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 0.99 0.00 0.00 0.87 0.00 0.00 36 A 8.76 4.94 1.22 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 0.00 0.00 37 R 9.05 4.26 0.00 1.87 1.88 0.00 3.25 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 1.70 1.73 0.00 38 K 8.31 4.82 0.00 1.71 1.75 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.42 7.81 39 S 8.73 4.43 0.00 3.91 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 40 N 8.97 3.50 0.00 2.85 2.59 0.00 0.00 6.76 6.75 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 41 K 6.92 4.61 0.00 1.67 1.66 0.00 0.61 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.40 7.81 42 H 12.00 4.55 0.00 3.53 3.55 0.00 5.45 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.50 4.78 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 0.99 0.00 0.00 0.93 0.00 0.00 44 R 9.77 4.59 0.00 1.66 1.78 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 A 8.11 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.22 4.58 0.00 1.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.26 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 47 L 7.82 4.51 0.00 1.47 1.56 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.46 4.79 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 1.17 0.00 0.00 0.94 0.00 0.00 49 T 8.70 4.65 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 *52 P 0.00 3.89 0.00 2.07 2.02 0.00 3.66 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 1.92 2.08 0.00 53 N 9.31 3.65 0.00 2.93 3.24 0.00 0.00 5.94 7.30 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 54 G 7.53 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 55 D 9.13 4.93 0.00 2.72 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 56 D 7.43 4.45 0.00 2.62 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 0.00 0.00 0.00 57 T 8.85 4.17 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 1.34 0.00 0.00 58 L 8.59 4.41 0.00 1.73 1.68 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 A 6.96 3.86 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 60 S 7.79 4.24 0.00 4.03 4.16 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 61 A 7.62 4.66 1.24 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 0.00 0.00 62 H 8.36 5.10 0.00 3.58 3.16 0.00 5.82 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 63 S 8.42 4.30 0.00 4.05 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 64 S 8.19 4.19 0.00 3.93 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 65 D 6.88 4.42 0.00 2.92 2.69 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 66 L 7.62 4.40 0.00 1.69 1.53 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.59 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.25 5.37 0.00 1.93 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 2.25 2.26 0.00 69 Y 7.23 2.92 0.00 2.68 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 0.00 0.00 0.00 70 G 7.02 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 71 W 8.15 5.12 0.00 3.25 3.05 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 0.00 0.00 0.00 72 E 8.05 3.44 0.00 2.12 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 2.30 2.42 0.00 *74 P 0.00 4.41 0.00 2.27 1.59 0.00 3.70 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 2.05 2.11 0.00 75 T 9.59 4.07 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 G 8.82 3.62 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 0.00 0.00 0.00 0.00 *80 S 7.15 4.24 0.00 4.04 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 81 A 8.17 2.98 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.54 3.73 0.00 3.50 3.02 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 83 L 9.52 4.36 0.00 1.72 1.55 1.12 0.65 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 84 T 7.99 3.82 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 85 G 8.35 3.72 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 0.00 86 L 7.71 3.17 0.00 1.88 1.55 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.27 3.45 0.00 1.76 1.60 0.97 1.00 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 88 A 8.26 4.48 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 89 G 8.76 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 0.00 0.00 0.00 90 L 9.89 3.97 0.00 1.79 1.76 0.95 0.89 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 91 R 8.04 4.05 0.00 1.89 2.16 0.00 3.21 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 92 A 8.16 4.10 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 93 Q 7.84 4.04 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.82 0.00 94 E 7.72 4.21 0.00 2.10 2.31 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 2.21 2.67 0.00 95 A 9.42 4.13 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 96 G 7.47 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.37 4.07 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 0.85 0.00 0.00 0.94 0.00 0.00 98 E 9.16 5.06 0.00 2.21 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 2.07 2.07 0.00 99 E 8.71 4.36 0.00 1.97 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 2.24 2.23 0.00 100 A 7.84 4.95 1.22 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 0.00 0.00 101 V 8.02 3.96 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 0.78 0.00 0.00 0.93 0.00 0.00 102 L 8.41 4.41 0.00 1.53 1.63 0.95 0.95 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 0.00 103 D 8.37 4.54 0.00 2.68 2.68 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 0.00 104 I 8.56 3.77 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.88 0.00 0.00 105 G 10.13 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 0.00 106 L 12.00 4.00 0.00 1.58 1.37 0.95 1.04 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 0.00 107 N 7.75 3.62 0.00 2.68 2.72 0.00 0.00 6.85 7.63 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 0.00 108 S 8.52 4.27 0.00 4.01 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 0.00 109 P 0.00 3.48 0.00 1.21 1.35 0.00 3.60 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 110 T 12.00 3.85 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 1.14 0.00 0.00 111 P 0.00 4.61 0.00 2.15 2.20 0.00 3.83 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 2.10 2.25 0.00 *114 K 8.16 4.27 0.00 1.80 1.28 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 115 V 9.36 2.48 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 0.69 0.00 0.00 0.79 0.00 0.00 116 F 5.51 4.92 0.00 3.37 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 0.00 117 A 10.15 4.08 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 0.00 118 I 8.47 3.27 1.84 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 1.61 1.53 0.94 0.00 0.00 119 Q 8.81 3.44 0.00 2.53 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.27 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 120 E 9.66 3.87 0.00 1.95 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 2.08 2.37 0.00 121 G 9.23 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.56 3.50 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 0.00 123 I 7.97 2.85 2.06 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 1.65 0.82 0.93 0.00 0.00 124 D 7.56 4.87 0.00 2.81 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 0.00 125 A 10.23 4.12 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 0.00 0.00 0.00 0.00 0.00 126 G 9.39 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 0.00 0.00 0.00 127 L 7.84 4.39 0.00 1.59 1.62 0.93 1.70 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 0.00 128 D 6.61 4.25 0.00 3.59 2.39 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 0.00 129 I 8.04 3.88 1.88 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 1.50 0.50 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.