NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2798 8.3149 120.1287 56.2874 34.2975 175.8814 7 K 3.9912 7.7329 117.9637 54.7164 32.7330 174.8692 8 P 4.0197 0.0000 0.0000 62.7701 32.6705 174.8082 9 D 4.6957 8.1499 121.8327 52.9892 42.6585 176.3774 10 F 4.9216 8.4856 122.8245 57.4603 39.6993 177.5934 11 T 3.9369 8.2876 117.7082 66.8138 68.3252 175.9765 12 L 4.0250 7.9419 121.5115 58.1684 42.0593 178.5872 13 F 4.1849 8.3030 120.1055 61.3871 39.3661 176.9943 14 L 3.8656 8.6201 119.0508 57.4590 41.2450 179.4967 15 Q 3.8083 8.2432 118.6279 59.1917 28.7117 178.9349 16 T 3.6560 7.5919 110.7370 64.4854 68.5855 176.2920 17 L 3.6419 7.7957 123.7513 57.6997 42.0255 178.8899 18 S 3.2559 7.5441 114.4371 60.9671 62.3964 176.5015 19 W 3.8616 7.7930 122.6570 59.3023 28.7207 178.0985 20 E 3.9803 8.1801 119.1099 59.4962 28.9829 178.9341 21 I 3.8013 8.0919 120.0834 64.4520 36.9028 178.2189 22 D 4.4049 8.1008 119.2807 57.3686 40.6975 177.9848 23 D 4.4141 8.0918 117.8175 57.2864 41.3049 177.9121 24 Q 4.2572 7.7713 117.8760 57.0176 29.0466 176.0262 25 V 4.5295 7.0672 111.1579 58.8038 35.8091 174.9889 26 G 3.8721 8.3059 109.8745 45.3070 0.0000 174.7275 27 I 3.7037 8.4009 119.8219 64.5910 36.9602 178.6765 28 E 4.0047 8.0412 118.7674 59.2637 29.5863 179.3283 29 V 3.6371 7.6915 117.9129 65.7066 31.6491 178.0021 30 R 3.9090 7.7751 118.8448 59.4130 29.9702 178.2308 31 N 4.2168 8.1657 116.3283 56.2988 38.6038 177.3074 32 E 3.9694 8.2625 120.1211 58.9177 29.6407 178.9232 33 L 3.9135 7.7375 120.1659 58.2467 42.0999 179.1632 34 L 3.8544 7.8225 118.6827 57.8042 41.5382 179.4949 35 R 3.9743 7.8648 118.0113 59.5278 29.9770 178.7387 36 E 3.9333 8.0522 118.4047 59.0471 29.3509 179.0477 37 V 3.6380 7.4335 117.6338 65.5184 31.3054 177.9594 38 G 3.5520 8.1239 105.6669 47.8560 0.0000 175.6997 39 R 3.9973 7.6770 119.8001 58.6604 30.3271 179.8462 40 G 3.7049 7.9748 102.5656 45.6786 0.0000 175.1491 *42 G 3.7959 8.0634 110.3077 44.8956 0.0000 174.2902 43 T 4.3944 7.6839 108.2196 61.7784 69.3759 175.3719 44 R 4.4926 7.9141 120.8298 56.7506 32.2375 175.9565 45 I 4.6002 7.3381 108.5013 58.1913 40.6778 172.4250 *47 P 3.9442 0.0000 0.0000 61.5604 32.0349 174.1239 48 P 4.3753 0.0000 0.0000 61.3431 31.9982 174.3735 49 P 4.7402 0.0000 0.0000 62.1114 30.6972 175.4404 50 C 4.4978 8.4770 121.9498 58.6110 29.8546 175.2575 51 Q 3.8568 8.8072 123.3093 58.7477 28.6488 176.2534 52 T 4.8651 7.4110 110.0773 59.9402 71.3657 174.7750 53 V 3.6184 8.0614 121.7711 65.6238 31.1768 177.2314 54 D 4.3794 8.0733 117.9375 56.8203 41.1618 178.2441 55 K 4.0186 7.9474 118.7577 58.8106 32.0796 178.9204 56 L 3.8931 7.6798 121.0709 58.0348 42.0354 178.6489 57 Q 3.9423 7.9630 119.4458 59.3501 29.0657 178.4278 58 I 3.6896 7.4132 120.3326 64.5698 37.0126 178.3669 59 E 3.9373 8.0568 119.0404 59.1272 29.1469 179.4689 60 L 3.5759 8.1620 119.5564 57.6892 41.6371 179.1311 61 N 4.3376 8.2310 116.2583 56.1932 38.5489 177.1590 62 A 3.9632 7.8602 121.9221 55.3416 18.2048 179.7710 63 L 3.9234 7.5408 117.4130 57.7903 41.5266 179.7250 64 L 4.2909 8.2654 119.0335 57.7653 41.3297 179.4167 65 A 4.0503 8.2309 120.3658 54.8559 18.3701 179.0307 66 L 4.0798 7.7674 118.1322 57.3343 42.1815 178.1278 67 I 4.5434 7.2210 109.9610 59.4318 38.7747 175.6341 68 G 3.9642 8.4249 108.7686 47.0351 0.0000 173.9597 69 W 4.7281 8.6538 116.5753 56.2504 29.8218 177.0669 70 G 4.0163 9.1303 104.5164 44.1642 0.0000 172.9911 71 T 5.1377 8.3884 109.3896 60.1089 72.8354 173.6708 72 V 5.1286 9.7486 122.3600 60.1823 34.6239 174.8234 73 T 4.8325 8.6845 113.0389 59.8889 71.7439 172.6597 74 L 5.0447 9.6652 125.0107 52.9418 44.0375 175.3999 75 E 4.5715 8.7345 125.1704 53.8973 32.2666 174.5859 76 L 4.2449 8.6383 129.7790 55.1656 43.1644 176.8414 77 L 4.7416 9.1491 127.5513 52.2604 41.7514 176.9629 78 S 4.1305 8.5564 117.9656 61.3812 63.3951 177.6014 79 E 3.8942 8.3417 119.0620 59.2676 29.1446 177.6210 80 D 4.4336 7.6926 113.1320 54.1394 41.8810 175.5504 81 Q 3.4545 7.6136 116.0607 56.9046 26.8339 172.6294 82 S 4.6987 7.9923 110.5084 57.3394 67.3493 174.7832 83 L 4.9790 8.3625 123.0216 53.2953 43.8781 175.1587 84 R 3.6967 8.8370 128.5449 55.9710 31.4133 175.0386 85 I 4.6061 7.8798 126.5566 59.5609 40.1400 174.5283 86 V 4.3791 8.3439 128.5404 61.5203 33.2637 173.8583 87 H 5.3205 9.1700 129.5588 54.7141 31.7149 173.0455 88 E 4.6940 9.1967 126.2448 55.2408 31.6432 176.0219 89 N 4.4387 8.7152 118.9724 53.6186 35.6248 174.8574 90 L 3.9368 7.8851 119.0795 54.7238 42.8317 174.8194 91 P 4.1176 0.0000 0.0000 62.8160 31.7420 175.5497 92 Q 4.4418 8.3799 123.8006 55.5426 30.4073 175.9549 93 V 4.3434 7.7920 122.8597 61.3456 31.8179 175.3060 94 G 3.8432 7.7396 111.3120 45.2233 0.0000 172.4077 95 S 4.6737 8.5054 113.1078 57.8197 64.0739 173.9127 96 A 3.8269 7.6674 124.7894 52.9905 18.6902 177.4314 97 G 4.2137 9.1123 105.1655 45.2647 0.0000 173.1206 98 E 4.5263 8.1780 117.3616 53.4654 31.7684 174.6493 99 P 4.5339 0.0000 0.0000 61.7359 32.3864 175.9111 100 S 4.8064 7.8819 114.4124 59.7366 63.0121 174.5386 101 G 4.3694 8.8454 113.3594 45.5271 0.0000 174.1629 102 T 4.6043 7.7157 109.4236 60.9253 69.4234 176.8218 103 W 4.2063 8.5164 134.4402 61.6419 30.9916 177.0519 104 L 4.0712 8.0635 116.0605 55.2933 41.2149 178.2648 105 A 3.9901 7.7185 122.3478 55.1195 18.0997 177.9846 106 P 4.4842 0.0000 0.0000 64.4462 31.3585 178.8554 107 V 3.6907 7.7436 117.7147 65.8004 31.3332 177.8819 108 L 3.8650 8.0585 119.0014 57.2225 41.0681 178.9897 109 E 4.1006 8.2526 118.4277 59.4915 29.4788 179.5250 110 G 3.5060 7.6610 105.3302 47.5739 0.0000 175.4099 111 L 3.5438 7.5005 124.2650 57.4746 42.1016 178.7940 112 Y 4.4131 8.0997 116.8606 60.6379 36.4279 178.9030 113 G 3.6619 7.9460 107.0605 48.0154 0.0000 175.8042 114 R 4.1549 7.7854 120.3413 58.6455 30.1601 178.1886 115 W 4.6932 8.2111 117.8349 58.7005 29.4809 177.8566 116 V 4.1642 7.9811 117.6505 64.2555 31.4669 177.4066 117 T 3.9296 7.2476 110.2417 65.1880 67.1163 174.5554 118 S 4.7053 8.0644 112.9378 58.3988 63.2982 173.9610 119 Q 4.2655 7.9776 120.6397 55.4599 29.7751 175.6652 120 A 4.3135 8.7080 119.5898 52.2522 16.6518 177.8420 121 G 3.6999 8.1738 103.6584 48.0040 0.0000 174.8710 122 A 4.4390 7.8290 124.4201 50.1957 18.4050 177.0681 123 F 5.2667 8.3470 123.9489 58.1873 39.8366 174.9048 124 G 3.5091 8.0693 117.1309 45.6587 0.0000 170.4769 125 D 4.5735 8.1216 121.8238 52.7752 41.6665 175.7111 126 Y 5.1692 8.2485 123.2940 56.1836 41.3246 175.6549 127 V 4.5231 8.9610 114.7828 59.6436 34.7224 175.4532 128 V 4.3502 8.5364 125.3363 62.1412 32.3311 174.7564 129 T 4.8348 8.6701 123.1047 59.8743 69.8249 173.4536 130 R 4.1357 9.5374 130.0599 56.7808 30.5752 176.5196 131 D 4.7497 8.7646 127.4948 52.3755 40.0364 176.3405 132 V 3.6208 8.0575 123.1989 65.7523 31.8747 176.3483 133 D 4.7170 8.4073 117.5203 56.0160 40.8975 177.3236 134 A 4.2460 8.1821 120.8665 54.5319 18.6879 179.1616 135 E 3.9903 8.4793 117.6684 58.7289 29.3386 178.2882 136 D 4.6301 7.9678 117.9136 54.5475 40.1111 178.2495 137 L 4.0245 7.3872 120.8633 57.2677 42.1098 176.9745 138 N 4.6448 7.7170 113.1738 51.8628 39.4801 174.4105 139 A 3.7097 7.7601 120.0138 52.9884 15.9485 177.7378 140 V 4.0664 7.4860 120.3980 60.5304 33.2762 173.9175 141 P 4.3837 0.0000 0.0000 62.7888 31.5047 176.9533 142 R 3.8765 8.6187 119.2500 59.3407 30.2526 177.2638 143 Q 4.4762 8.0322 114.3627 55.9081 29.0514 174.1927 144 T 5.0592 7.6777 115.9878 62.4699 69.7492 174.3352 145 I 4.7593 8.8209 127.0077 59.6205 40.5117 175.0033 146 I 4.9780 8.2698 126.3892 59.2422 40.4351 174.5954 *148 Y 5.0059 7.7775 118.3979 58.2175 40.3574 174.4154 *150 R 4.5293 8.3368 119.2282 56.6408 32.2256 175.6434 151 V 3.8861 8.5243 120.0403 62.9469 32.0986 175.6781 152 R 3.9983 8.5861 126.5719 59.2213 29.9520 176.1993 153 S 4.8083 7.6623 112.5109 56.8239 64.7915 173.4975 154 S 4.4797 8.2292 117.0920 57.7567 65.6433 172.4863 155 A 4.8548 7.9402 123.1965 50.8013 21.3040 176.9775 156 T 4.0910 8.3581 112.0963 64.2326 68.5647 174.6765 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 6 K 8.31 4.28 0.00 1.75 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 7 K 7.73 3.99 0.00 1.82 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 8 P 0.00 4.02 0.00 1.44 1.53 0.00 3.64 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 2.00 1.98 0.00 9 D 8.15 4.70 0.00 2.54 2.44 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 10 F 8.49 4.92 0.00 3.21 3.17 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 0.00 0.00 0.00 0.00 11 T 8.29 3.94 4.27 0.00 0.00 0.00 0.00 0.00 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 12 L 7.94 4.03 0.00 1.67 1.69 0.91 0.79 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 13 F 8.30 4.18 0.00 3.30 3.38 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 14 L 8.62 3.87 0.00 2.14 1.70 1.24 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.24 3.81 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 16 T 7.59 3.66 4.08 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 0.00 0.00 1.04 0.00 0.00 17 L 7.80 3.64 0.00 0.96 1.39 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.54 3.26 0.00 2.72 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 19 W 7.79 3.86 0.00 3.32 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 20 E 8.18 3.98 0.00 2.21 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 0.00 2.31 2.41 0.00 21 I 8.09 3.80 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.70 1.07 0.00 0.00 22 D 8.10 4.40 0.00 2.72 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 23 D 8.09 4.41 0.00 2.66 2.71 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 24 Q 7.77 4.26 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 25 V 7.07 4.53 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 0.71 0.00 0.00 1.00 0.00 0.00 26 G 8.31 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 27 I 8.40 3.70 1.86 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 1.77 0.84 0.90 0.00 0.00 28 E 8.04 4.00 0.00 1.96 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 2.38 2.29 0.00 29 V 7.69 3.64 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 1.04 0.00 0.00 0.93 0.00 0.00 30 R 7.78 3.91 0.00 1.95 2.18 0.00 3.68 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.70 0.00 31 N 8.17 4.22 0.00 2.86 2.78 0.00 0.00 7.06 7.09 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 32 E 8.26 3.97 0.00 2.09 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 2.30 2.43 0.00 33 L 7.74 3.91 0.00 1.85 1.83 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.82 3.85 0.00 1.76 1.47 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.86 3.97 0.00 1.98 1.94 0.00 3.34 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 36 E 8.05 3.93 0.00 2.22 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 2.28 2.32 0.00 37 V 7.43 3.64 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 0.83 0.00 0.00 0.95 0.00 0.00 38 G 8.12 3.55 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 0.00 0.00 0.00 39 R 7.68 4.00 0.00 1.89 1.96 0.00 3.14 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 1.62 1.67 0.00 40 G 7.97 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 *42 G 8.06 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 43 T 7.68 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 1.20 0.00 0.00 44 R 7.91 4.49 0.00 1.76 1.97 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 45 I 7.34 4.60 1.90 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 1.56 1.00 0.92 0.00 0.00 *47 P 0.00 3.94 0.00 2.06 1.80 0.00 3.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 48 P 0.00 4.38 0.00 2.16 2.07 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 49 P 0.00 4.74 0.00 2.16 2.11 0.00 3.33 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 50 C 8.48 4.50 0.00 2.97 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 51 Q 8.81 3.86 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 52 T 7.41 4.87 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 1.23 0.00 0.00 53 V 8.06 3.62 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 0.90 0.00 0.00 54 D 8.07 4.38 0.00 2.84 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 55 K 7.95 4.02 0.00 1.95 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.47 7.81 56 L 7.68 3.89 0.00 1.68 1.82 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.96 3.94 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 58 I 7.41 3.69 1.84 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 1.50 1.09 0.88 0.00 0.00 59 E 8.06 3.94 0.00 2.03 1.84 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 2.41 2.42 0.00 60 L 8.16 3.58 0.00 1.85 1.81 0.55 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.23 4.34 0.00 2.82 2.88 0.00 0.00 6.92 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.86 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 63 L 7.54 3.92 0.00 1.36 1.54 -0.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.27 4.29 0.00 1.96 2.03 1.25 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.23 4.05 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 66 L 7.77 4.08 0.00 1.86 1.89 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.22 4.54 1.80 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.85 0.00 0.00 68 G 8.42 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 69 W 8.65 4.73 0.00 3.31 3.38 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 70 G 9.13 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 0.00 0.00 0.00 71 T 8.39 5.14 4.34 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 1.24 0.00 0.00 72 V 9.75 5.13 2.32 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 0.98 0.00 0.00 0.77 0.00 0.00 73 T 8.68 4.83 4.20 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 1.19 0.00 0.00 74 L 9.67 5.04 0.00 1.42 1.54 0.92 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.73 4.57 0.00 1.97 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 2.17 2.19 0.00 76 L 8.64 4.24 0.00 1.68 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.15 4.74 0.00 1.87 1.60 0.99 0.63 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 78 S 8.56 4.13 0.00 4.01 4.15 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 79 E 8.34 3.89 0.00 1.97 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 2.33 2.38 0.00 80 D 7.69 4.43 0.00 2.68 2.71 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 81 Q 7.61 3.45 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 82 S 7.99 4.70 0.00 4.06 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 83 L 8.36 4.98 0.00 1.71 1.51 0.88 0.70 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 84 R 8.84 3.70 0.00 1.77 1.61 0.00 2.99 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.00 85 I 7.88 4.61 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.42 0.28 0.00 0.00 86 V 8.34 4.38 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 0.91 0.00 0.00 0.84 0.00 0.00 87 H 9.17 5.32 0.00 3.44 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.20 4.69 0.00 1.91 1.84 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 2.27 2.28 0.00 89 N 8.72 4.44 0.00 2.89 2.95 0.00 0.00 6.92 7.85 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 90 L 7.89 3.94 0.00 1.64 1.76 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.12 0.00 1.55 1.68 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.49 0.00 92 Q 8.38 4.44 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.40 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 93 V 7.79 4.34 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 0.80 0.00 0.00 0.97 0.00 0.00 94 G 7.74 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 0.00 0.00 0.00 95 S 8.51 4.67 0.00 4.07 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 96 A 7.67 3.83 1.07 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 97 G 9.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.53 0.00 1.90 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 0.00 2.19 2.32 0.00 99 P 0.00 4.53 0.00 2.23 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 100 S 7.88 4.81 0.00 3.90 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 0.00 101 G 8.85 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 0.00 0.00 0.00 0.00 102 T 7.72 4.60 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 1.23 0.00 0.00 103 W 8.52 4.21 0.00 3.31 3.32 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 0.00 104 L 8.06 4.07 0.00 1.71 1.57 1.21 0.67 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 0.00 105 A 7.72 3.99 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 0.00 106 P 0.00 4.48 0.00 2.01 2.02 0.00 3.74 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 2.02 1.88 0.00 107 V 7.74 3.69 2.36 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 1.01 0.00 0.00 0.89 0.00 0.00 108 L 8.06 3.86 0.00 1.91 1.89 0.88 0.77 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 0.00 109 E 8.25 4.10 0.00 2.19 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 2.44 2.41 0.00 110 G 7.66 3.51 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 0.00 111 L 7.50 3.54 0.00 1.26 1.03 -0.39 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.10 4.41 0.00 3.13 2.98 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 0.00 113 G 7.95 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.15 0.00 1.69 1.83 0.00 3.31 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 115 W 8.21 4.69 0.00 3.47 3.18 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 0.00 116 V 7.98 4.16 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 1.00 0.00 0.00 1.14 0.00 0.00 117 T 7.25 3.93 4.44 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 1.36 0.00 0.00 118 S 8.06 4.71 0.00 3.94 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 0.00 119 Q 7.98 4.27 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.20 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 120 A 8.71 4.31 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 0.00 121 G 8.17 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 0.00 122 A 7.83 4.44 1.23 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 0.00 0.00 0.00 123 F 8.35 5.27 0.00 2.90 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 0.00 124 G 8.07 3.51 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 0.00 125 D 8.12 4.57 0.00 2.44 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 0.00 126 Y 8.25 5.17 0.00 2.90 2.98 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 0.00 127 V 8.96 4.52 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 0.68 0.00 0.00 0.99 0.00 0.00 128 V 8.54 4.35 2.32 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 0.83 0.00 0.00 1.02 0.00 0.00 129 T 8.67 4.83 4.29 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 1.32 0.00 0.00 130 R 9.54 4.14 0.00 1.88 1.87 0.00 3.31 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 131 D 8.76 4.75 0.00 3.11 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 0.00 132 V 8.06 3.62 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 1.07 0.00 0.00 0.95 0.00 0.00 133 D 8.41 4.72 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 0.00 134 A 8.18 4.25 1.53 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 0.00 135 E 8.48 3.99 0.00 2.25 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 2.36 2.35 0.00 136 D 7.97 4.63 0.00 2.95 2.92 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 0.00 0.00 0.00 137 L 7.39 4.02 0.00 2.02 1.92 0.94 0.96 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 0.00 138 N 7.72 4.64 0.00 2.73 2.82 0.00 0.00 7.10 7.20 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 0.00 139 A 7.76 3.71 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 0.00 140 V 7.49 4.07 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 0.86 0.00 0.00 0.94 0.00 0.00 141 P 0.00 4.38 0.00 2.27 2.20 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 142 R 8.62 3.88 0.00 1.78 2.02 0.00 3.40 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 143 Q 8.03 4.48 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 144 T 7.68 5.06 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 1.28 0.00 0.00 145 I 8.82 4.76 1.93 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 1.25 0.76 0.95 0.00 0.00 146 I 8.27 4.98 1.91 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 1.21 1.57 0.83 0.00 0.00 *148 Y 7.78 5.01 0.00 3.01 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 *150 R 8.34 4.53 0.00 1.88 1.97 0.00 3.15 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 151 V 8.52 3.89 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 0.74 0.00 0.00 0.97 0.00 0.00 152 R 8.59 4.00 0.00 1.75 1.94 0.00 3.36 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 153 S 7.66 4.81 0.00 3.86 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 0.00 154 S 8.23 4.48 0.00 3.92 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 0.00 155 A 7.94 4.85 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 0.00 156 T 8.36 4.09 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 * Residues marked with a * may have inaccurate shift predictions.