NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.2951 8.1744 110.9397 61.7280 70.9733 174.5685 11 R 3.7325 8.1469 121.4749 56.9325 29.9975 174.1697 12 A 4.0417 7.4762 115.9020 52.0217 23.4960 174.0045 *15 K 3.9937 8.6540 117.6752 56.4096 32.7051 177.1086 16 T 4.2237 7.7641 117.3009 61.5161 70.8922 175.7254 17 R 3.9702 8.4729 120.8383 59.2046 30.0114 179.5959 18 S 4.1488 8.0500 115.0894 61.5935 62.9784 176.5435 19 S 4.1187 8.4703 117.3675 61.6099 62.4476 176.4261 20 R 3.9007 8.0630 121.1339 58.5109 29.8773 177.3766 21 A 4.4700 8.0399 118.0525 51.2263 19.3168 177.1395 22 G 3.7863 7.9949 105.1835 46.5143 0.0000 173.7266 23 L 4.8585 8.0414 118.2450 52.7490 44.5790 176.7747 24 Q 4.3706 9.7761 119.9917 57.9970 29.5670 177.3884 25 F 4.1741 8.5488 115.1006 56.4312 39.7819 173.9665 26 P 4.4825 0.0000 0.0000 62.3226 31.6759 177.3379 27 V 3.7348 8.8624 124.6598 65.7879 31.5688 177.9579 28 G 3.6804 8.1097 105.0393 47.9189 0.0000 175.4435 29 R 3.9239 7.9284 120.9045 59.0973 30.1949 178.5292 30 V 3.6431 7.9716 118.1070 66.1955 31.4717 177.4959 31 H 4.2052 8.5215 118.1778 59.3180 29.6777 177.2907 32 R 3.9260 8.1745 120.5297 59.4330 30.0241 178.4855 33 L 4.0737 8.4172 119.2713 57.7282 41.3614 179.4665 34 L 4.2448 8.2716 119.1093 58.0235 41.7312 179.8451 35 R 4.0590 8.2066 118.0954 59.0610 29.8105 178.9669 36 K 4.2527 8.4665 118.9467 58.6335 32.2701 178.1430 37 G 3.4389 7.8519 103.5930 43.5803 0.0000 172.8929 38 N 4.1173 7.3419 115.5496 54.4739 36.3735 174.5870 39 Y 4.3520 7.3087 115.8158 59.9265 39.0854 176.1065 40 A 4.5643 7.4115 119.2803 50.9901 22.0118 175.6242 41 E 4.1177 8.8219 120.4172 58.4414 29.9565 177.2083 42 R 4.7344 7.7039 115.0563 54.0738 33.7480 174.7604 43 V 4.3174 8.2129 119.1539 60.8169 33.7990 175.8224 44 G 3.8168 8.5360 115.8317 44.9751 0.0000 173.8104 45 A 3.9609 8.6258 122.8762 54.9052 18.7370 180.3464 46 G 3.6888 8.0631 101.7028 47.0148 0.0000 175.7367 47 A 3.9955 7.6670 123.7823 54.7600 18.3646 177.9369 48 P 4.2188 0.0000 0.0000 65.4393 31.4959 178.9388 49 V 3.5648 7.2050 118.9775 66.0797 31.5337 177.3091 50 Y 3.8959 8.2278 119.4400 60.5700 38.6258 177.7359 51 L 4.0436 8.3923 121.2758 58.1491 42.1747 178.5816 52 A 4.0852 8.3749 120.7925 55.2874 18.2429 179.3931 53 A 3.8347 8.0813 119.0947 55.2961 18.3564 180.0796 54 V 3.5438 7.8440 116.6480 66.1693 31.6511 178.2904 55 L 3.9025 8.0648 118.8669 57.5841 41.3734 179.1602 56 E 2.5400 7.7619 119.3999 58.8036 29.5081 178.1989 57 Y 3.9819 7.9405 119.6441 60.7904 38.8901 178.1462 58 L 3.5753 7.9900 119.9445 57.7766 41.5860 179.6617 59 T 3.8043 7.7205 115.5866 66.4990 68.3304 176.5347 60 A 3.9031 7.9096 122.7561 54.9780 18.4891 179.2857 61 E 3.6799 7.7138 117.7855 59.4408 29.6319 178.9824 62 I 3.6922 7.6348 118.6374 63.9757 37.9547 177.8732 63 L 3.9886 8.1151 120.1441 57.4479 41.5165 178.8350 64 E 3.8861 8.4779 119.7483 59.5380 29.6332 179.0164 65 L 3.9855 7.7937 118.1318 57.6897 41.5829 179.5081 66 A 4.2574 8.5056 121.3855 55.1047 18.3145 179.9512 67 G 3.5258 8.4900 104.6633 47.8823 0.0000 175.7665 68 N 4.3277 8.0492 118.3034 56.0772 38.6789 177.3274 69 A 3.9494 8.0425 121.9988 55.0298 18.4856 179.5447 70 A 3.3980 8.0527 119.4363 55.0132 18.3443 179.7970 71 R 3.7712 8.0377 117.2168 59.8313 29.9847 178.4294 72 D 4.3895 8.2200 117.5540 56.7823 40.7319 177.6210 73 N 4.8117 7.5895 114.3040 51.7465 39.4437 174.8847 74 K 3.9033 8.0670 118.0683 57.7982 30.3779 175.2234 75 K 4.7226 8.4633 115.9300 54.9501 35.2480 176.8400 76 T 4.4016 8.4397 109.7464 61.2744 69.9828 174.0399 77 R 4.5592 7.6830 122.7094 54.2363 31.9824 175.0402 78 I 4.0665 8.4115 126.8107 61.1627 37.8877 175.1563 79 I 4.6283 8.0467 117.2278 57.6007 40.8455 174.3085 80 P 4.2008 0.0000 0.0000 65.8953 30.8081 178.5014 81 R 3.8526 8.0071 116.7340 60.1492 29.7454 178.0942 82 H 4.3112 8.0845 115.6173 58.6910 28.5630 177.8558 83 L 3.9760 7.8541 120.4846 57.8220 41.4706 179.1501 84 Q 3.9441 8.2643 119.5644 59.1082 29.1208 178.2100 85 L 3.9607 8.3226 120.1863 57.6269 41.4331 179.2819 86 A 3.9740 7.9731 119.7569 55.2078 18.6584 179.6277 87 V 3.6674 8.0114 116.8921 66.3485 31.4797 178.4859 88 R 4.2362 8.1387 116.3319 58.4670 30.0447 177.7405 89 N 4.7679 7.8670 113.8811 52.3937 39.1532 174.0630 90 D 4.8069 7.3191 121.4408 52.1213 43.0547 175.8315 91 E 3.9249 9.0691 127.5316 59.7670 29.4946 178.7001 92 E 3.9929 8.0726 117.7153 59.4743 29.6387 179.2207 93 L 3.9713 8.8492 119.4186 57.6385 41.3907 178.9942 94 N 4.2973 8.1353 116.5200 56.5107 39.1525 176.6113 95 K 4.0797 7.9722 120.5647 59.4142 32.1454 178.4901 96 L 4.0234 7.9688 119.5771 57.4021 42.3086 178.1016 97 L 4.8271 8.2529 118.5885 54.3412 42.8192 178.9382 98 G 3.7800 7.9857 110.8395 47.9589 0.0000 175.1870 99 R 4.6664 7.8176 118.2971 55.8785 31.1331 175.2699 100 V 4.4477 7.5777 115.9864 61.2164 34.1417 174.5031 101 T 4.5018 8.3916 122.3083 61.7725 70.4363 173.7970 102 I 4.1684 8.1594 127.0852 59.3928 37.8705 175.2315 103 A 4.0303 8.5023 128.9735 53.5255 18.7273 176.4714 104 Q 3.5340 8.6394 118.7599 56.9891 26.4345 175.2669 105 G 3.6946 7.9014 108.5112 45.2934 0.0000 176.4730 106 G 3.8546 7.9701 107.6135 44.9662 0.0000 172.1749 107 V 4.5525 7.9169 111.2874 59.0436 35.5861 174.9979 108 L 4.2435 8.1969 120.7254 53.6566 42.1263 175.7118 109 P 4.2042 0.0000 0.0000 62.9014 31.6179 175.8136 110 N 4.3579 8.3510 118.5984 53.2815 40.5055 173.1788 111 I 4.4726 8.1688 127.1002 59.0427 39.5227 175.9341 112 Q 4.1026 8.5803 124.4044 55.9649 29.5761 177.1352 113 S 4.1229 9.0827 119.2992 62.0771 62.9134 177.3991 114 V 3.7579 7.7593 110.6015 63.5810 31.3188 176.9434 115 L 4.3167 7.8440 118.4847 55.3995 42.0243 177.1808 116 L 4.2344 7.6343 119.3244 53.3691 42.1676 175.0367 117 P 4.5496 0.0000 0.0000 61.6967 32.1528 175.0931 118 K 4.0930 8.9377 114.5367 57.6316 35.6051 175.2388 119 K 4.2539 8.8294 120.1655 57.7191 30.0347 176.1164 120 T 3.2758 7.0001 111.0037 62.7704 67.7013 171.5185 *128 S 4.1467 7.6401 113.6149 58.0571 63.3431 173.8911 129 K 4.1928 8.6338 125.8535 56.6014 32.0212 176.3497 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 10 T 8.17 4.30 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 11 R 8.15 3.73 0.00 1.85 2.03 0.00 3.34 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 12 A 7.48 4.04 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 *15 K 8.65 3.99 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 16 T 7.76 4.22 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 1.22 0.00 0.00 17 R 8.47 3.97 0.00 1.90 2.05 0.00 3.17 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.05 4.15 0.00 3.89 4.14 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 19 S 8.47 4.12 0.00 4.01 4.14 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 20 R 8.06 3.90 0.00 1.94 2.21 0.00 3.26 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 21 A 8.04 4.47 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 22 G 7.99 3.79 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 0.00 0.00 0.00 23 L 8.04 4.86 0.00 1.64 1.77 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.78 4.37 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 25 F 8.55 4.17 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 26 P 0.00 4.48 0.00 2.25 2.18 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 27 V 8.86 3.73 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 1.11 0.00 0.00 0.97 0.00 0.00 28 G 8.11 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 29 R 7.93 3.92 0.00 1.89 2.08 0.00 3.16 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 30 V 7.97 3.64 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 0.99 0.00 0.00 1.10 0.00 0.00 31 H 8.52 4.21 0.00 3.40 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.17 3.93 0.00 1.95 2.03 0.00 3.15 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 1.64 1.68 0.00 33 L 8.42 4.07 0.00 1.90 1.79 0.96 0.54 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 34 L 8.27 4.24 0.00 1.97 1.82 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.21 4.06 0.00 2.04 1.99 0.00 3.08 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 36 K 8.47 4.25 0.00 1.82 2.04 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 37 G 7.85 3.44 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 0.00 38 N 7.34 4.12 0.00 2.70 2.75 0.00 0.00 6.90 7.34 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 39 Y 7.31 4.35 0.00 3.02 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 40 A 7.41 4.56 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 41 E 8.82 4.12 0.00 1.93 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 2.30 2.40 0.00 42 R 7.70 4.73 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.21 4.32 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 0.84 0.00 0.00 1.02 0.00 0.00 44 G 8.54 3.82 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 45 A 8.63 3.96 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 46 G 8.06 3.69 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 0.00 0.00 0.00 47 A 7.67 4.00 1.32 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 48 P 0.00 4.22 0.00 2.43 2.33 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.59 0.00 49 V 7.21 3.56 2.29 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 0.99 0.00 0.00 0.95 0.00 0.00 50 Y 8.23 3.90 0.00 3.25 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 51 L 8.39 4.04 0.00 1.86 1.76 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.37 4.09 1.51 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 53 A 8.08 3.83 1.25 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 54 V 7.84 3.54 2.29 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 1.17 0.00 0.00 1.09 0.00 0.00 55 L 8.06 3.90 0.00 1.81 1.75 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.76 2.54 0.00 1.54 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 2.14 2.08 0.00 57 Y 7.94 3.98 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 58 L 7.99 3.58 0.00 1.63 1.60 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.72 3.80 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 1.34 0.00 0.00 60 A 7.91 3.90 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 61 E 7.71 3.68 0.00 1.54 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 2.13 2.24 0.00 62 I 7.63 3.69 1.82 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 1.51 1.40 0.97 0.00 0.00 63 L 8.12 3.99 0.00 1.70 1.69 0.95 0.69 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 64 E 8.48 3.89 0.00 2.09 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 2.29 2.38 0.00 65 L 7.79 3.99 0.00 1.74 1.69 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.51 4.26 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 67 G 8.49 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.33 0.00 2.99 2.86 0.00 0.00 6.82 7.45 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 69 A 8.04 3.95 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 70 A 8.05 3.40 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 71 R 8.04 3.77 0.00 1.96 2.07 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 72 D 8.22 4.39 0.00 2.83 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 73 N 7.59 4.81 0.00 2.80 2.85 0.00 0.00 7.13 6.97 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 74 K 8.07 3.90 0.00 1.86 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.38 7.81 75 K 8.46 4.72 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.56 7.81 76 T 8.44 4.40 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 77 R 7.68 4.56 0.00 1.77 1.85 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 78 I 8.41 4.07 1.90 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 1.49 0.66 0.95 0.00 0.00 79 I 8.05 4.63 1.82 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 1.05 0.72 0.90 0.00 0.00 80 P 0.00 4.20 0.00 2.31 2.28 0.00 3.59 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 2.15 0.00 81 R 8.01 3.85 0.00 1.85 1.79 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 82 H 8.08 4.31 0.00 3.38 3.49 0.00 5.69 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 83 L 7.85 3.98 0.00 1.86 1.72 0.93 1.04 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 84 Q 8.26 3.94 0.00 2.16 2.23 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 2.58 2.44 0.00 85 L 8.32 3.96 0.00 1.87 1.71 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.97 3.97 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 87 V 8.01 3.67 2.15 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 1.02 0.00 0.00 0.95 0.00 0.00 88 R 8.14 4.24 0.00 1.81 1.98 0.00 3.39 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 89 N 7.87 4.77 0.00 2.91 2.85 0.00 0.00 6.78 7.43 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 90 D 7.32 4.81 0.00 2.79 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 91 E 9.07 3.92 0.00 2.07 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 2.39 2.42 0.00 92 E 8.07 3.99 0.00 2.06 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 93 L 8.85 3.97 0.00 1.67 1.70 0.88 0.53 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 94 N 8.14 4.30 0.00 2.94 3.04 0.00 0.00 7.19 6.28 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 95 K 7.97 4.08 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 L 7.97 4.02 0.00 1.66 1.86 0.93 1.21 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 97 L 8.25 4.83 0.00 1.74 1.63 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.99 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 99 R 7.82 4.67 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 100 V 7.58 4.45 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 0.94 0.00 0.00 101 T 8.39 4.50 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 0.00 102 I 8.16 4.17 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 1.35 0.71 0.91 0.00 0.00 103 A 8.50 4.03 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 0.00 104 Q 8.64 3.53 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 7.90 3.69 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 0.00 0.00 0.00 106 G 7.97 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 0.00 107 V 7.92 4.55 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 0.00 108 L 8.20 4.24 0.00 1.64 1.59 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.20 0.00 2.04 2.00 0.00 3.71 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 2.03 2.07 0.00 110 N 8.35 4.36 0.00 2.60 2.67 0.00 0.00 7.04 7.94 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 0.00 111 I 8.17 4.47 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 1.41 0.77 0.91 0.00 0.00 112 Q 8.58 4.10 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 113 S 9.08 4.12 0.00 3.88 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 0.00 114 V 7.76 3.76 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 0.70 0.00 0.00 0.93 0.00 0.00 115 L 7.84 4.32 0.00 1.75 1.71 0.92 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 0.00 116 L 7.63 4.23 0.00 1.65 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.55 0.00 2.17 2.08 0.00 3.93 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 1.98 1.98 0.00 118 K 8.94 4.09 0.00 1.92 1.87 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.09 7.81 119 K 8.83 4.25 0.00 1.85 1.86 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.47 7.81 120 T 7.00 3.28 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 *128 S 7.64 4.15 0.00 3.89 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 0.00 129 K 8.63 4.19 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.