NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4493 8.3044 118.7892 52.6376 34.3619 174.2020 2 Q 4.4677 7.8473 121.1200 53.8300 31.4664 175.0333 3 D 4.6066 8.3810 126.3214 52.9096 40.5926 173.5719 4 Y 5.0905 7.3678 119.9017 55.4440 41.6833 176.1643 5 T 4.8142 8.8651 115.6842 61.7708 72.2562 173.5196 6 V 4.6761 8.7619 126.3948 62.0352 33.3549 174.0830 7 H 5.3429 9.3888 126.3935 54.5362 30.7239 174.0226 8 I 4.8707 8.7937 125.1069 59.5920 39.2800 174.8401 9 V 4.6565 7.8969 126.6836 61.0823 34.3563 173.7925 10 D 4.4843 7.8764 119.8845 53.6744 44.3195 175.9332 11 D 4.7679 8.5564 125.1474 55.4039 39.8709 175.6818 12 E 4.3277 8.5501 120.7273 54.9847 30.0804 176.4684 13 E 3.8984 8.7916 125.5203 58.9927 29.7328 176.7460 14 P 4.2046 0.0000 0.0000 65.6758 31.4548 178.7767 15 V 3.5402 7.6706 116.3317 65.8364 31.7032 177.5262 16 R 3.8646 8.1027 118.6602 59.6277 29.7731 178.5813 17 K 4.0235 8.6191 118.4295 59.4665 32.1079 179.5255 18 S 4.1976 8.1894 114.6082 61.4873 62.8628 176.3258 19 L 3.9682 7.9962 123.7491 57.6357 41.7584 178.7778 20 A 3.9863 7.9451 120.4091 55.0149 18.3218 179.3887 21 F 4.0672 8.5981 119.4953 61.5960 39.3098 176.7500 22 M 3.6894 7.8513 116.3029 58.8556 32.2621 177.9074 23 L 4.1255 7.9069 118.7970 58.0003 41.8026 179.5892 24 T 4.0279 8.0683 115.9085 66.9811 68.2228 176.3568 25 M 4.1310 8.0071 119.0055 56.9546 31.8161 177.3087 26 N 4.9547 8.0029 116.2396 52.7318 39.8183 175.8414 27 G 3.8149 7.8945 107.9270 45.3459 0.0000 174.6427 28 F 4.1578 7.7952 117.7778 56.7364 39.9136 174.7842 29 A 4.3039 8.3176 126.2790 51.7627 19.3674 176.5610 30 V 4.8789 8.3602 121.9114 60.9671 35.1813 174.6441 31 K 4.5580 8.8089 126.8180 55.1148 35.3067 175.1464 32 M 4.9198 8.6594 126.6423 54.9362 33.4359 175.2660 33 H 4.8660 8.7662 117.5522 54.2978 32.7835 175.0235 34 Q 4.0719 8.9455 121.5108 58.5075 29.2159 176.1114 35 S 4.8085 7.6562 110.4995 55.7508 67.6141 174.6517 36 A 4.1277 8.5285 123.4378 55.0330 18.1167 179.5082 37 E 3.8922 8.2357 117.3856 59.3882 29.8639 178.6902 38 A 4.0491 8.5020 121.1581 55.2898 18.4571 179.4295 39 F 4.1173 8.4745 119.1846 61.1489 39.2072 177.0325 40 L 3.7998 8.3887 119.3471 58.1719 41.9908 178.4830 41 A 4.0832 7.8768 119.3609 55.0749 18.5650 178.8920 42 F 4.2392 8.0286 117.9264 60.1972 39.5252 177.2829 43 A 3.4209 7.7004 121.6312 54.6591 17.8162 177.7295 44 P 4.1447 0.0000 0.0000 65.3828 31.2456 177.2628 45 D 4.3731 7.4820 117.2620 53.6433 41.5162 176.9274 46 V 3.6516 6.6593 120.2172 62.7403 32.0693 175.3374 47 R 4.5395 8.0505 124.7042 55.6176 33.7387 175.0367 48 N 4.2521 8.9267 120.1924 54.8650 36.1681 173.5415 49 G 4.8235 8.0259 102.5483 44.4901 0.0000 173.4446 50 V 4.7568 9.0871 121.5815 60.6957 34.8263 173.8829 51 L 4.9486 9.0535 129.5002 53.3226 44.5812 175.1742 52 V 4.4760 8.5056 125.4131 61.6369 33.8361 172.7500 53 T 5.0997 8.4229 128.2307 60.6883 70.7272 173.8557 *55 L 4.1579 8.6988 117.4818 55.2589 44.2028 178.6732 56 R 4.6299 7.9920 123.1945 55.0266 27.7546 174.7481 57 M 4.9307 8.2050 121.0291 51.2531 35.1771 175.0160 58 P 4.3024 0.0000 0.0000 65.9116 31.3382 176.7270 59 D 4.6399 7.4752 114.4043 55.0791 41.7606 176.8797 60 M 4.8450 7.6215 117.3640 52.7688 35.2091 175.1571 61 S 4.6706 9.0568 121.5877 57.7746 65.5222 175.4088 62 G 3.7044 8.9466 110.2395 48.2558 0.0000 176.2969 63 V 3.6989 7.7823 119.8977 65.8161 31.6670 177.8810 64 E 4.0109 8.5551 118.8781 59.0136 29.1650 178.8815 65 L 3.9741 8.2766 120.8548 58.4052 42.1753 179.1388 66 L 4.0368 7.9456 118.7125 57.8502 41.4423 179.8655 67 R 3.9464 7.9693 118.0546 59.3035 30.0915 178.7366 68 N 4.6060 8.5929 118.0053 55.8260 38.6583 177.4463 69 L 4.1258 8.4049 120.7993 57.5748 41.5979 179.8083 70 G 3.6059 8.0519 105.6866 48.0218 0.0000 175.2536 71 D 4.3775 8.5705 124.7528 57.6700 40.6887 179.0496 72 L 4.3072 7.9020 121.6344 56.3241 42.2625 179.2628 73 K 4.0811 8.2834 119.8149 56.7478 29.4022 179.9954 74 I 3.9418 8.0315 125.6816 64.3019 38.2244 175.5441 75 N 4.1656 8.1899 121.7187 52.0257 33.5369 173.5185 76 I 4.5623 7.6587 121.4410 58.0672 40.3717 173.7092 77 P 4.2896 0.0000 0.0000 63.5963 32.2050 175.6738 78 S 5.2508 8.7268 118.8279 56.7681 67.4441 172.8324 79 I 4.9207 9.1215 124.0919 59.5192 40.4866 174.4859 80 V 4.7629 8.6305 126.8085 61.1127 33.4546 174.4331 81 I 4.8959 8.2418 121.1581 59.6333 40.2261 174.6155 82 T 4.4111 8.3643 116.4208 61.5080 70.9582 173.8890 83 G 4.0339 8.8405 114.4485 45.8417 0.0000 173.3512 84 H 4.8740 8.2600 115.9514 54.5347 29.3699 172.0184 85 G 4.3157 7.6743 108.6850 44.7809 0.0000 171.3884 86 D 4.6128 8.1626 117.3537 51.0376 42.9147 176.3132 87 V 3.4561 8.2748 118.8109 65.8223 31.2751 175.8384 88 P 4.1753 0.0000 0.0000 65.9764 31.1657 178.4055 89 M 3.9699 8.8833 117.2387 58.3963 31.8957 178.5923 90 A 2.5800 7.6264 120.9933 54.5829 18.2420 179.9319 91 V 3.4232 7.7956 116.8574 65.9968 31.5177 178.0699 92 E 3.8990 8.3247 118.3804 59.2816 29.3107 179.1801 93 A 4.0276 8.2494 121.0628 55.6463 18.4827 179.6749 94 M 4.0553 7.9542 117.1503 58.4579 31.7487 179.2157 95 K 3.9682 8.2084 118.0788 59.1306 32.3182 178.5341 96 A 4.2921 8.0300 119.0565 52.5317 18.5002 177.9567 97 G 3.9894 7.9247 105.6219 44.7933 0.0000 174.1900 98 A 4.2366 7.7899 122.7738 52.0641 18.7786 178.7050 99 V 3.8126 8.5922 122.3617 65.2620 32.2331 175.3554 100 D 4.5068 7.4873 117.5344 53.8666 44.5624 174.6804 101 F 5.1176 8.9278 124.2131 56.7724 42.1892 173.5847 102 I 4.6224 8.4481 127.4022 59.4420 40.3521 174.8433 103 E 4.8602 8.8036 125.4556 55.6679 30.5967 176.2224 104 K 4.5516 8.7321 123.4584 54.8541 33.5114 175.0638 105 P 4.3277 0.0000 0.0000 62.0735 32.5940 175.2654 106 F 5.0151 7.0098 113.0847 54.9986 41.1976 174.2244 107 E 4.2871 8.7107 120.9938 56.1450 30.2794 177.7035 108 D 4.5320 8.9803 121.6188 58.2250 40.8118 179.3023 109 T 3.8915 8.1163 115.4659 66.8374 68.3993 176.3160 110 V 3.5038 7.8149 119.6432 66.1597 31.5593 178.0169 111 I 3.4291 7.5129 117.7913 63.7127 37.8751 177.5778 112 I 3.6025 7.9395 120.9619 64.6008 36.9525 178.1993 113 E 4.3348 8.5711 120.3078 58.9345 29.2315 179.4134 114 A 3.9733 8.0093 120.8065 54.9615 18.3772 179.8707 115 I 3.6625 8.0147 118.9436 64.5486 36.6684 178.3380 116 E 4.1557 8.8030 119.8502 59.5113 29.3031 179.6774 117 R 3.8585 8.3531 118.0125 59.3840 30.2735 179.0306 118 A 4.1236 8.3887 120.9901 55.1151 18.2116 179.7502 119 S 3.7940 8.0512 112.7107 61.2290 62.6333 176.4849 120 E 3.8751 7.7239 121.4789 59.2131 29.1945 178.2119 121 H 4.5975 7.6575 114.5152 56.0044 28.9298 175.3444 122 L 4.1681 7.4121 122.3248 54.2600 41.6626 177.4560 123 V 3.8252 8.3475 116.4030 61.6454 31.5473 176.1879 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 4.45 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 Q 7.85 4.47 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.37 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 3 D 8.38 4.61 0.00 2.69 2.62 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 4 Y 7.37 5.09 0.00 3.25 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 5 T 8.87 4.81 4.37 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 1.11 0.00 0.00 6 V 8.76 4.68 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 0.88 0.00 0.00 1.00 0.00 0.00 7 H 9.39 5.34 0.00 2.93 3.17 0.00 5.64 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 8 I 8.79 4.87 1.86 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 1.07 0.59 0.89 0.00 0.00 9 V 7.90 4.66 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 0.95 0.00 0.00 0.66 0.00 0.00 10 D 7.88 4.48 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.77 0.00 2.87 2.93 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 12 E 8.55 4.33 0.00 2.16 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 2.30 2.30 0.00 13 E 8.79 3.90 0.00 2.02 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 0.00 2.37 2.41 0.00 14 P 0.00 4.20 0.00 2.18 2.07 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 15 V 7.67 3.54 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 1.10 0.00 0.00 0.96 0.00 0.00 16 R 8.10 3.86 0.00 2.05 2.11 0.00 3.15 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 1.63 1.70 0.00 17 K 8.62 4.02 0.00 1.93 1.84 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.55 7.81 18 S 8.19 4.20 0.00 4.09 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 19 L 8.00 3.97 0.00 1.82 1.71 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.95 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.07 0.00 3.13 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 22 M 7.85 3.69 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.73 0.00 23 L 7.91 4.13 0.00 1.66 1.49 0.71 0.21 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 24 T 8.07 4.03 4.37 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 1.19 0.00 0.00 25 M 8.01 4.13 0.00 1.68 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 26 N 8.00 4.95 0.00 3.01 2.98 0.00 0.00 7.06 7.23 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 27 G 7.89 3.81 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 0.00 0.00 0.00 28 F 7.80 4.16 0.00 3.10 2.88 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 29 A 8.32 4.30 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 30 V 8.36 4.88 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 0.80 0.00 0.00 0.98 0.00 0.00 31 K 8.81 4.56 0.00 1.79 1.54 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.11 1.28 7.81 32 M 8.66 4.92 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 33 H 8.77 4.87 0.00 3.21 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.95 4.07 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 35 S 7.66 4.81 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 36 A 8.53 4.13 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 37 E 8.24 3.89 0.00 2.08 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 2.41 2.41 0.00 38 A 8.50 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.12 0.00 3.11 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 40 L 8.39 3.80 0.00 1.78 1.89 0.91 1.13 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 41 A 7.88 4.08 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 42 F 8.03 4.24 0.00 3.11 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 43 A 7.70 3.42 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.11 2.11 0.00 3.52 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 1.83 1.96 0.00 45 D 7.48 4.37 0.00 1.84 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 46 V 6.66 3.65 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 0.86 0.00 0.00 0.83 0.00 0.00 47 R 8.05 4.54 0.00 1.82 1.80 0.00 3.57 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 48 N 8.93 4.25 0.00 2.99 2.99 0.00 0.00 6.82 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 49 G 8.03 4.82 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 0.00 0.00 0.00 50 V 9.09 4.76 2.23 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 0.92 0.00 0.00 0.86 0.00 0.00 51 L 9.05 4.95 0.00 1.60 1.44 0.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.51 4.48 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 0.83 0.00 0.00 0.85 0.00 0.00 53 T 8.42 5.10 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 1.17 0.00 0.00 *55 L 8.70 4.16 0.00 1.74 1.69 1.07 0.99 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 R 7.99 4.63 0.00 1.82 1.87 0.00 3.38 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 57 M 8.21 4.93 0.00 2.04 2.16 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 2.57 2.68 0.00 58 P 0.00 4.30 0.00 2.17 2.23 0.00 3.89 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 2.01 2.04 0.00 59 D 7.48 4.64 0.00 2.67 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 60 M 7.62 4.84 0.00 1.94 1.90 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 2.50 2.55 0.00 61 S 9.06 4.67 0.00 4.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 3.70 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 0.00 63 V 7.78 3.70 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 1.09 0.00 0.00 1.05 0.00 0.00 64 E 8.56 4.01 0.00 2.15 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 2.35 2.34 0.00 65 L 8.28 3.97 0.00 1.79 1.98 1.09 0.76 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 66 L 7.95 4.04 0.00 1.93 1.74 0.97 1.02 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 67 R 7.97 3.95 0.00 2.07 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 68 N 8.59 4.61 0.00 2.93 2.89 0.00 0.00 6.59 6.78 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 69 L 8.40 4.13 0.00 1.90 1.76 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.05 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 71 D 8.57 4.38 0.00 2.83 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 72 L 7.90 4.31 0.00 1.78 1.56 0.92 0.88 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 73 K 8.28 4.08 0.00 1.82 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.26 7.81 74 I 8.03 3.94 1.86 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 1.10 1.00 0.88 0.00 0.00 75 N 8.19 4.17 0.00 2.93 2.79 0.00 0.00 6.42 7.72 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 76 I 7.66 4.56 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 1.08 0.00 0.00 77 P 0.00 4.29 0.00 2.07 2.10 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 78 S 8.73 5.25 0.00 3.73 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 79 I 9.12 4.92 1.80 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 1.07 0.72 0.79 0.00 0.00 80 V 8.63 4.76 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 0.95 0.00 0.00 1.01 0.00 0.00 81 I 8.24 4.90 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.79 0.00 0.00 82 T 8.36 4.41 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 0.99 0.00 0.00 83 G 8.84 4.03 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 0.00 0.00 0.00 84 H 8.26 4.87 0.00 3.09 3.25 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.61 0.00 2.93 2.79 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 87 V 8.27 3.46 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 1.10 0.00 0.00 0.91 0.00 0.00 88 P 0.00 4.18 0.00 2.17 2.07 0.00 3.82 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 2.10 2.16 0.00 89 M 8.88 3.97 0.00 2.09 2.41 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.79 0.00 90 A 7.63 2.58 0.62 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 91 V 7.80 3.42 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 1.06 0.00 0.00 0.86 0.00 0.00 92 E 8.32 3.90 0.00 2.19 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 2.31 2.46 0.00 93 A 8.25 4.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 M 7.95 4.06 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.89 0.00 95 K 8.21 3.97 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.57 7.81 96 A 8.03 4.29 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 97 G 7.92 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 98 A 7.79 4.24 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 99 V 8.59 3.81 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 0.78 0.00 0.00 0.91 0.00 0.00 100 D 7.49 4.51 0.00 2.74 2.40 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 0.00 101 F 8.93 5.12 0.00 3.00 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 0.00 102 I 8.45 4.62 1.54 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.66 0.00 0.00 103 E 8.80 4.86 0.00 1.92 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 2.37 2.47 0.00 104 K 8.73 4.55 0.00 1.55 1.52 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.46 7.81 105 P 0.00 4.33 0.00 2.05 1.91 0.00 3.71 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 1.93 1.90 0.00 106 F 7.01 5.02 0.00 3.05 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 0.00 107 E 8.71 4.29 0.00 2.10 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 0.00 2.45 2.32 0.00 108 D 8.98 4.53 0.00 2.73 2.79 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 0.00 109 T 8.12 3.89 4.28 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 1.27 0.00 0.00 110 V 7.81 3.50 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 0.72 0.00 0.00 0.96 0.00 0.00 111 I 7.51 3.43 1.50 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.16 1.06 0.00 0.00 112 I 7.94 3.60 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 1.17 0.00 0.00 113 E 8.57 4.33 0.00 2.00 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 2.36 2.52 0.00 114 A 8.01 3.97 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 0.00 115 I 8.01 3.66 1.91 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.04 0.00 0.00 116 E 8.80 4.16 0.00 2.20 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 0.00 2.53 2.81 0.00 117 R 8.35 3.86 0.00 2.08 1.95 0.00 3.12 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 118 A 8.39 4.12 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 0.00 119 S 8.05 3.79 0.00 2.79 3.16 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 0.00 120 E 7.72 3.88 0.00 1.87 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 2.57 2.42 0.00 121 H 7.66 4.60 0.00 3.27 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.41 4.17 0.00 1.83 1.63 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.35 3.83 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.