NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3080 8.3049 120.3520 54.8160 34.3663 176.8963 2 K 3.6651 7.8159 116.5053 55.9663 30.0190 173.4241 3 K 4.3443 8.9002 122.8624 55.4296 34.4685 176.0697 4 I 4.2210 8.4813 128.7776 61.8122 37.7745 175.3429 5 I 4.4408 8.7705 127.9699 59.8529 38.5493 175.1158 6 E 4.8076 8.6335 126.4331 54.6594 32.3857 174.3177 7 T 4.6470 9.2807 122.3424 61.5086 69.8595 174.0673 8 Q 4.3470 8.5598 124.1495 56.2174 28.8042 177.4110 9 R 3.9406 7.7807 113.0901 57.7562 30.2857 176.0003 10 A 4.8645 7.0959 120.7249 49.0577 22.0530 174.3342 11 P 4.3954 0.0000 0.0000 62.4041 31.9949 177.2682 12 G 3.6980 8.3928 110.3820 44.9072 0.0000 173.2783 13 A 4.3558 8.2248 123.2461 51.1544 18.1569 177.7711 14 I 4.1280 9.3479 124.7922 63.3001 37.6597 175.0409 15 G 4.4015 8.0196 110.9726 42.5335 0.0000 170.4611 16 P 4.6367 0.0000 0.0000 61.0725 30.6450 173.5897 17 Y 4.8709 6.6223 116.6461 56.5621 41.6619 174.4665 18 V 4.6037 7.9923 112.4688 59.1895 34.9958 176.0048 19 Q 4.3417 8.7894 121.2969 59.2268 29.4975 176.9684 20 G 4.5453 7.8418 103.1548 45.2669 0.0000 171.6959 21 V 4.9548 9.0398 120.0692 60.9330 34.9586 173.5184 22 D 5.2812 9.6226 128.0500 52.8516 42.6114 176.4632 23 L 4.5765 8.9294 125.1778 53.7686 42.3090 176.6826 24 G 4.2279 7.6674 110.9873 45.7225 0.0000 175.3305 25 S 4.5109 8.2313 114.6875 59.9434 65.1055 173.9897 26 M 5.2454 7.9829 116.3079 53.4154 35.0314 174.0858 27 V 4.9292 9.0352 121.1160 61.3114 34.3386 174.0853 28 F 5.3342 9.2276 126.6550 55.9922 41.4060 174.9053 29 T 5.0982 8.3354 113.3205 59.9719 70.8320 174.7175 30 S 4.4127 8.9725 119.8309 58.2609 63.9517 174.5176 31 G 4.2009 8.5549 109.0683 46.5319 0.0000 172.7536 32 Q 4.8457 9.6116 125.9330 54.3297 30.6660 175.1434 33 I 4.6457 8.2670 117.7196 58.0359 40.0227 174.6682 34 P 4.6395 0.0000 0.0000 62.0930 30.4564 174.7037 35 V 4.8962 7.3068 124.7687 61.7939 32.0408 174.3977 *37 P 4.4790 0.0000 0.0000 62.5629 33.0986 177.9935 38 Q 4.2075 8.1978 117.0264 57.7301 29.0988 176.5746 39 T 4.2437 7.9082 105.8796 60.8173 70.2508 175.6800 40 G 3.8923 8.2588 108.3173 45.6540 0.0000 172.9920 41 E 4.4385 7.7259 119.2607 55.0660 30.9362 175.1975 42 I 4.6168 8.1622 121.0319 57.9159 38.6360 174.3519 43 P 4.3874 0.0000 0.0000 62.5038 31.8805 176.5262 44 A 4.0851 8.4968 123.6158 54.8926 18.8679 178.3541 45 D 4.6069 7.9342 115.6873 53.6483 42.9987 177.5297 46 V 3.6510 8.4321 126.6866 64.8993 31.3160 178.6947 47 Q 3.9714 8.3578 118.8450 58.8688 28.5969 178.0753 48 D 4.3625 8.0958 119.3237 57.6194 40.9419 178.4973 49 Q 3.9941 8.3547 118.4340 59.1362 28.7630 179.3315 50 A 3.9587 8.4403 121.6135 55.2060 18.5000 179.3225 51 R 3.7285 8.2303 117.4853 59.5880 30.0901 178.3137 52 L 3.8619 7.9948 119.6439 58.3012 42.1568 178.6809 53 S 4.0685 8.0083 115.1458 61.8610 62.8401 176.9561 54 L 3.4623 7.5545 120.9492 57.6048 41.2063 179.1114 55 E 4.0146 8.1842 118.8217 59.9688 29.4724 179.4123 56 N 4.4386 8.5883 116.3143 56.2902 38.5295 177.7332 57 V 3.5827 7.6950 119.6792 65.7411 31.6082 178.0288 58 K 3.9196 8.1936 119.1677 59.3912 32.0076 178.2366 59 A 4.0098 8.4080 121.5211 55.6602 18.1203 179.8130 60 I 3.7063 7.3655 117.3596 64.4610 37.1944 178.9138 61 V 3.6200 7.8701 119.2219 66.0014 31.3574 178.3236 62 V 4.3149 8.5897 119.6443 65.3799 31.1344 177.8663 63 A 4.0364 8.1955 119.9018 54.7957 18.2834 178.7053 64 A 4.2416 7.5650 117.0253 52.6556 18.4978 178.2264 65 G 3.7953 8.0020 105.4352 45.6358 0.0000 173.2500 66 L 4.7636 7.7646 120.5885 52.4845 44.6031 174.9335 67 S 5.0709 8.6981 113.0874 56.2048 66.2555 175.0776 68 V 3.5653 8.4529 119.5595 66.1168 30.9944 177.9189 69 G 3.8244 8.0911 106.2325 47.6139 0.0000 173.2912 70 D 4.6643 8.0346 119.2096 54.2847 41.4904 176.1708 71 I 4.4022 7.7983 122.2196 61.1565 37.6021 175.5647 72 I 4.4574 9.1330 119.0155 60.8269 40.2995 175.3380 73 K 5.0836 7.7833 123.9302 55.3107 35.6307 174.4723 74 M 5.8433 9.3745 126.2528 52.8520 36.5178 174.4343 75 T 4.7462 8.3777 117.4872 61.7041 72.1271 173.0850 76 V 4.3477 8.6055 127.0942 61.1933 33.4555 174.1358 77 F 5.2465 8.8917 128.5541 56.6832 40.2505 175.3587 78 I 5.2349 9.1084 117.2854 59.4817 40.6141 175.9491 79 T 4.5884 8.5906 111.7766 62.0880 70.4829 174.1280 80 D 4.6258 7.7546 122.8403 53.2901 42.7861 175.3776 81 L 4.0175 8.8806 128.5232 57.2769 41.8412 179.5675 82 N 4.3678 8.0434 115.3016 56.2131 38.6361 176.3420 83 D 4.6058 8.4526 117.3609 55.5188 40.8916 178.2248 84 F 4.3548 8.3855 122.3834 61.3357 39.4395 176.7298 85 A 3.7486 8.0470 119.9034 55.2967 18.1491 179.6569 86 T 3.7722 7.7698 113.6806 66.8033 68.6441 176.7617 87 I 3.7074 7.9136 121.7949 64.5982 37.1171 177.9971 88 N 4.0819 8.1863 117.5752 56.3195 38.2038 177.0161 89 E 3.8807 8.0700 120.3641 59.3177 29.7259 178.9975 90 V 3.6299 7.7586 118.2731 66.1345 31.5767 177.3371 91 Y 4.0547 8.5487 119.6458 60.5555 38.6369 177.5074 92 K 3.9830 8.6128 121.0520 59.9622 32.2361 178.2802 93 Q 4.0362 8.5001 119.7242 59.1128 28.5874 177.8166 94 F 3.9542 8.5830 121.8816 61.5937 39.2883 177.2733 95 F 3.8764 8.5314 117.1534 60.4927 38.8164 177.4439 96 D 4.4127 8.7939 119.0166 57.5561 40.4640 178.8013 97 E 3.9371 8.4625 117.9024 58.9780 29.5324 177.4152 98 H 4.4241 7.3165 113.6731 54.6079 29.2582 174.7497 99 Q 3.2873 7.4617 117.4685 57.0932 26.6680 173.4786 100 A 4.8226 7.8867 118.5195 50.2483 21.6980 177.5552 101 T 3.7884 8.1659 117.7902 63.3521 69.2161 174.2610 102 Y 3.9883 7.5680 122.8959 57.4400 38.4577 174.3724 103 P 4.7293 0.0000 0.0000 61.8445 33.1580 175.8208 104 T 4.2652 8.5199 110.7498 62.3274 70.0334 173.6635 105 R 5.7520 8.0432 120.9314 55.5819 33.4845 174.0512 106 S 4.7651 8.5271 119.2829 56.8045 67.0486 172.5045 107 C 5.6687 8.4032 122.7514 56.7729 34.0213 173.3105 108 V 4.4681 8.1424 118.0189 59.5825 36.1928 174.2253 109 Q 4.9400 8.5326 124.4187 55.1513 29.6616 175.7785 110 V 4.1543 8.4692 120.6025 60.1624 32.9353 176.7050 111 A 4.0882 8.5772 124.1657 55.2366 18.4396 177.8785 112 R 4.4897 7.1983 111.2363 55.6471 32.9345 173.3360 113 L 4.8119 7.8740 121.5029 51.6234 45.3797 174.2842 114 P 4.2822 0.0000 0.0000 64.5840 31.5484 177.1863 115 K 3.9661 9.1716 119.8446 56.7937 29.3814 175.2466 116 D 4.4366 8.0572 116.1121 55.3272 38.7443 174.7457 117 V 3.9111 7.2771 111.2859 61.4158 32.2672 176.7246 118 K 4.3850 9.7165 120.7899 57.5324 32.9728 176.7880 119 L 5.1442 7.6207 118.0488 54.6991 43.4744 174.4018 120 E 4.9921 9.6510 121.2953 54.6545 33.4046 174.2834 121 I 5.1836 8.9118 126.7741 59.6199 40.7993 174.4138 122 E 5.1151 8.9232 124.6237 54.7944 32.6237 174.8260 123 A 5.2203 8.5480 121.5699 50.3722 23.2289 174.9820 124 I 4.7359 9.0466 120.5604 59.2837 40.6095 174.6389 125 A 5.1549 8.9946 128.1538 50.2045 22.2329 175.2251 126 V 4.6503 8.1054 113.9286 59.8751 33.5094 176.5738 127 R 4.0184 8.8658 125.1742 59.1909 30.3290 176.7854 128 S 4.3648 7.8693 117.5979 58.5742 63.4022 173.9365 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 4.31 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.72 0.00 2 K 7.82 3.67 0.00 1.95 1.87 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.49 7.81 3 K 8.90 4.34 0.00 1.95 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.29 7.81 4 I 8.48 4.22 1.88 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 1.35 0.66 0.91 0.00 0.00 5 I 8.77 4.44 1.91 0.00 0.00 0.90 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 0.57 1.00 0.00 0.00 6 E 8.63 4.81 0.00 1.86 1.77 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 2.17 2.25 0.00 7 T 9.28 4.65 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 1.27 0.00 0.00 8 Q 8.56 4.35 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 9 R 7.78 3.94 0.00 1.83 2.02 0.00 3.07 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 10 A 7.10 4.86 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 11 P 0.00 4.40 0.00 2.10 2.03 0.00 3.71 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 2.21 0.00 12 G 8.39 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 13 A 8.22 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.35 4.13 1.91 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 1.52 1.00 0.92 0.00 0.00 15 G 8.02 4.40 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 0.00 16 P 0.00 4.64 0.00 2.23 2.13 0.00 3.97 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 2.02 1.98 0.00 17 Y 6.62 4.87 0.00 3.16 3.09 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 0.00 0.00 0.00 18 V 7.99 4.60 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 0.73 0.00 0.00 0.97 0.00 0.00 19 Q 8.79 4.34 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 20 G 7.84 4.55 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 21 V 9.04 4.95 2.16 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 1.03 0.00 0.00 0.96 0.00 0.00 22 D 9.62 5.28 0.00 2.76 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 L 8.93 4.58 0.00 1.82 1.73 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.67 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 0.00 0.00 0.00 0.00 25 S 8.23 4.51 0.00 3.93 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 26 M 7.98 5.25 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 27 V 9.04 4.93 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 1.01 0.00 0.00 0.96 0.00 0.00 28 F 9.23 5.33 0.00 3.07 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 29 T 8.34 5.10 4.31 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 1.26 0.00 0.00 30 S 8.97 4.41 0.00 3.87 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 31 G 8.55 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 0.00 0.00 0.00 0.00 32 Q 9.61 4.85 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 33 I 8.27 4.65 1.87 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 1.40 0.60 0.90 0.00 0.00 34 P 0.00 4.64 0.00 2.25 2.42 0.00 3.67 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 2.11 2.04 0.00 35 V 7.31 4.90 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 0.90 0.00 0.00 0.94 0.00 0.00 *37 P 0.00 4.48 0.00 2.25 2.19 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.18 0.00 38 Q 8.20 4.21 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.34 1.91 0.00 39 T 7.91 4.24 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 40 G 8.26 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 0.00 0.00 0.00 41 E 7.73 4.44 0.00 1.98 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 2.43 2.42 0.00 42 I 8.16 4.62 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 1.29 1.44 0.92 0.00 0.00 43 P 0.00 4.39 0.00 2.18 2.06 0.00 3.95 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 44 A 8.50 4.09 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 45 D 7.93 4.61 0.00 2.73 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 46 V 8.43 3.65 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 0.92 0.00 0.00 0.96 0.00 0.00 47 Q 8.36 3.97 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 48 D 8.10 4.36 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 3.99 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 50 A 8.44 3.96 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 51 R 8.23 3.73 0.00 1.99 2.16 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 52 L 7.99 3.86 0.00 1.92 1.83 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.01 4.07 0.00 4.16 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 54 L 7.55 3.46 0.00 1.07 0.13 0.56 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.18 4.01 0.00 2.08 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 2.55 2.57 0.00 56 N 8.59 4.44 0.00 2.87 3.06 0.00 0.00 6.75 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 57 V 7.69 3.58 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 1.00 0.00 0.00 0.95 0.00 0.00 58 K 8.19 3.92 0.00 2.21 2.07 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 A 8.41 4.01 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 60 I 7.37 3.71 1.91 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 1.45 1.50 1.01 0.00 0.00 61 V 7.87 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 1.05 0.00 0.00 1.00 0.00 0.00 62 V 8.59 4.31 2.25 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 1.21 0.00 0.00 0.94 0.00 0.00 63 A 8.20 4.04 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 64 A 7.56 4.24 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 65 G 8.00 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 66 L 7.76 4.76 0.00 1.85 1.75 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.70 5.07 0.00 3.92 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 68 V 8.45 3.57 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 0.59 0.00 0.00 0.52 0.00 0.00 69 G 8.09 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 70 D 8.03 4.66 0.00 2.87 2.94 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 71 I 7.80 4.40 2.25 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 1.08 0.00 0.00 72 I 9.13 4.46 1.85 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 1.06 0.93 0.96 0.00 0.00 73 K 7.78 5.08 0.00 1.82 1.58 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 74 M 9.37 5.84 0.00 2.06 2.07 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 2.61 2.51 0.00 75 T 8.38 4.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 76 V 8.61 4.35 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 1.03 0.00 0.00 0.99 0.00 0.00 77 F 8.89 5.25 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.11 5.23 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.97 0.00 0.00 79 T 8.59 4.59 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 1.28 0.00 0.00 80 D 7.75 4.63 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 4.02 0.00 1.70 1.61 0.84 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.04 4.37 0.00 2.91 2.91 0.00 0.00 7.02 8.32 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 83 D 8.45 4.61 0.00 2.89 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 84 F 8.39 4.35 0.00 3.06 3.14 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 85 A 8.05 3.75 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 86 T 7.77 3.77 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 1.22 0.00 0.00 87 I 7.91 3.71 1.94 0.00 0.00 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 1.58 0.82 0.99 0.00 0.00 88 N 8.19 4.08 0.00 2.60 2.60 0.00 0.00 6.72 7.21 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 89 E 8.07 3.88 0.00 2.24 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 2.30 2.37 0.00 90 V 7.76 3.63 2.25 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 1.13 0.00 0.00 0.96 0.00 0.00 91 Y 8.55 4.05 0.00 3.19 3.08 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 0.00 92 K 8.61 3.98 0.00 1.95 2.00 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.78 1.35 7.81 93 Q 8.50 4.04 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 94 F 8.58 3.95 0.00 3.21 3.11 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 95 F 8.53 3.88 0.00 3.60 3.34 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 96 D 8.79 4.41 0.00 2.88 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 97 E 8.46 3.94 0.00 1.65 1.77 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 2.28 2.43 0.00 98 H 7.32 4.42 0.00 2.64 3.15 0.00 6.00 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.46 3.29 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 100 A 7.89 4.82 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.17 3.79 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 102 Y 7.57 3.99 0.00 2.94 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 0.00 103 P 0.00 4.73 0.00 1.91 2.13 0.00 3.33 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 104 T 8.52 4.27 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 0.00 105 R 8.04 5.75 0.00 1.73 1.68 0.00 2.33 0.00 0.00 3.36 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 106 S 8.53 4.77 0.00 3.64 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.40 5.67 0.00 2.87 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 0.00 108 V 8.14 4.47 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 0.63 0.00 0.00 1.04 0.00 0.00 109 Q 8.53 4.94 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 110 V 8.47 4.15 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 0.78 0.00 0.00 1.04 0.00 0.00 111 A 8.58 4.09 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 0.00 112 R 7.20 4.49 0.00 1.70 1.72 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 113 L 7.87 4.81 0.00 1.84 1.46 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.28 0.00 2.12 1.95 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 115 K 9.17 3.97 0.00 1.91 1.92 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.44 7.81 116 D 8.06 4.44 0.00 2.84 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 0.00 117 V 7.28 3.91 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 0.67 0.00 0.00 1.02 0.00 0.00 118 K 9.72 4.38 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.24 7.81 119 L 7.62 5.14 0.00 1.82 1.65 0.99 0.51 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 0.00 120 E 9.65 4.99 0.00 2.03 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 2.34 2.30 0.00 121 I 8.91 5.18 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 0.99 0.00 0.00 122 E 8.92 5.12 0.00 2.18 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 0.00 2.32 2.31 0.00 123 A 8.55 5.22 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 0.00 124 I 9.05 4.74 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.91 0.32 0.00 0.00 125 A 8.99 5.15 1.17 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 0.00 0.00 126 V 8.11 4.65 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 0.63 0.00 0.00 0.92 0.00 0.00 127 R 8.87 4.02 0.00 1.88 1.95 0.00 3.26 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 128 S 7.87 4.36 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.