NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4504 8.2893 120.3265 55.1947 33.4308 174.3375 2 R 4.3461 8.4280 119.7172 53.9971 31.5435 173.9699 3 L 4.5298 8.9998 122.6899 53.6553 43.7571 177.9950 4 N 4.6147 8.7100 120.7058 54.1752 38.2954 174.9522 5 T 4.4314 7.6190 111.5264 62.9967 67.6300 174.2188 6 L 3.7775 8.0815 115.0922 54.7470 39.6366 174.9644 7 S 4.5158 7.8330 112.7809 56.4122 66.5995 172.6428 8 P 4.4370 0.0000 0.0000 63.1449 32.3340 176.1112 9 A 4.6620 7.7303 115.5839 51.6375 21.4859 175.3281 10 E 4.2783 8.3270 129.1067 55.6997 28.1010 180.9336 11 G 4.9886 8.3250 127.0700 46.5532 0.0000 171.9969 12 S 4.3291 8.7299 122.3314 57.5527 63.1471 175.0248 13 K 4.2660 7.9880 114.9855 52.5949 34.9158 177.0492 14 K 3.9905 8.7653 123.0519 55.2101 31.2787 178.0423 15 A 4.6192 7.2110 122.0215 51.7609 22.1245 175.3781 16 G 4.2609 7.9324 104.1844 45.8486 0.0000 174.9795 17 K 3.4821 8.1107 122.2499 56.8563 30.8850 175.9202 18 R 4.5334 8.2567 122.9151 56.4239 31.8757 174.8523 19 L 4.4537 8.1691 118.5974 53.3402 42.2189 178.3456 20 G 3.8589 8.4671 115.3014 45.2417 0.0000 170.8177 21 R 4.4340 8.6202 116.8537 55.3669 32.2370 175.9503 22 G 3.8964 10.2680 108.2249 47.2454 0.0000 174.6362 23 I 4.3703 7.8296 129.6832 59.0114 38.5724 175.6462 24 G 3.8210 8.3734 108.1981 44.5775 0.0000 172.8718 25 S 4.1027 8.9258 121.8515 62.1099 62.4362 173.9390 26 G 3.6424 8.1018 107.3006 45.1394 0.0000 173.8129 27 L 4.6417 7.6186 131.2885 55.3004 39.1366 180.7054 28 G 4.1404 9.8547 105.4346 45.4960 0.0000 172.1730 29 K 4.2856 7.0700 123.9151 56.5194 38.1134 174.0677 30 T 4.5554 9.2152 104.7010 62.1955 74.7761 173.9701 31 G 3.8642 8.0733 109.4455 45.9866 0.0000 172.0590 32 G 3.7382 8.9757 108.6461 43.6984 0.0000 173.0580 33 R 3.9143 8.8417 118.6098 56.6388 29.5741 177.5101 34 G 3.6890 8.8117 103.1370 46.2604 0.0000 173.8851 35 H 3.9025 8.1310 108.0850 56.3359 27.0190 174.1512 36 K 4.2743 7.8806 128.0023 57.3465 33.1641 176.6704 37 G 3.9503 8.1131 104.5336 46.1204 0.0000 173.8672 38 Q 3.3613 8.2847 120.8182 56.8523 28.7106 172.5568 39 K 3.7969 9.1572 111.5044 59.7671 31.4854 174.4878 40 S 3.7394 9.2436 109.5090 60.3344 60.8116 174.5507 41 R 4.1411 8.4788 121.2142 56.7757 29.1697 177.8713 42 S 4.2058 7.3720 112.3212 60.4955 63.8861 174.2507 43 G 3.4583 7.3937 110.0707 45.0749 0.0000 173.2740 44 G 3.7098 7.9969 105.0171 45.2678 0.0000 173.7543 45 G 3.5647 8.7759 107.5264 44.4324 0.0000 172.5506 46 V 4.0861 7.9266 123.7989 64.2359 33.3110 175.7918 47 R 4.1571 7.5271 116.0826 55.1469 30.5109 176.7001 48 R 4.0389 8.4911 120.3791 57.5093 30.3468 176.6580 49 G 4.1440 8.7069 105.4927 46.6407 0.0000 174.4583 50 F 4.6773 7.4575 121.7531 56.2853 38.8749 175.9273 51 E 4.1861 7.5620 128.0956 53.9509 29.0767 177.8897 52 G 3.2094 6.6048 106.8743 47.9204 0.0000 171.7218 53 G 3.5406 8.2257 109.5735 45.8024 0.0000 173.5056 54 Q 4.5031 7.8398 114.1441 55.9663 29.7655 178.2055 55 M 4.2179 8.9319 120.4700 57.9443 32.9725 176.0564 56 P 3.8612 0.0000 0.0000 64.3554 30.8631 178.1569 57 L 3.5924 8.6722 125.5249 56.7612 41.4222 178.9043 58 Y 3.8490 7.9050 114.8572 58.8437 36.8015 170.8262 59 R 4.5019 7.8207 116.5861 56.9864 32.5424 176.9911 60 R 4.1249 8.3829 117.4371 56.3820 29.4363 176.2234 61 L 4.2952 7.7200 115.1987 52.6776 43.0794 174.3525 62 P 3.7287 0.0000 0.0000 63.7205 29.8085 175.7101 63 K 4.4524 8.0115 122.9501 54.2460 32.1695 174.6841 64 F 4.3932 7.6007 118.9668 56.4437 40.2193 176.4395 65 G 4.0980 8.8410 113.3249 45.3002 0.0000 171.8546 66 F 4.4291 7.2396 113.9977 57.3461 38.3693 171.9327 67 T 3.8949 7.8516 113.5324 59.1310 70.3866 172.0466 68 S 4.6350 8.5091 121.0193 57.1365 62.8396 171.7928 69 R 3.9115 8.9430 123.2379 56.4731 29.0118 177.3646 70 K 3.9483 8.6813 121.5304 57.4179 33.2319 177.1925 71 A 4.0539 7.3154 123.3581 52.2959 18.9138 177.0471 72 A 4.1288 9.5912 127.2836 54.0262 18.3832 177.9228 73 I 4.0612 8.1526 116.8492 60.4591 41.1552 173.4586 74 T 3.4819 8.1205 115.0875 63.9598 65.7198 171.7337 75 A 4.0883 7.5548 124.6003 52.6498 19.4870 177.4015 76 E 4.4655 8.2939 119.2796 56.6337 30.7731 178.4978 77 I 4.0268 8.5937 126.5564 62.4722 36.7003 178.0948 78 R 4.2772 8.7989 129.2281 55.4264 33.1515 177.6062 79 L 4.2676 8.3713 112.4730 55.8961 40.4873 176.6268 80 S 3.6098 7.7704 106.0782 59.4200 61.4471 173.5257 81 D 4.4001 8.6990 119.0390 56.8129 41.3574 177.4422 82 L 3.5442 7.3287 115.8021 56.1950 41.2694 176.6458 83 A 3.9475 8.3893 124.4339 53.9432 17.9835 177.2623 84 K 3.9058 7.8036 117.1918 55.7750 28.4911 176.1490 85 V 3.9576 7.1155 120.6401 61.6937 31.4650 170.7363 86 E 4.6882 7.8307 119.3559 56.3710 29.8964 177.6924 87 G 3.8563 8.3252 107.0142 44.8290 0.0000 174.5044 88 G 4.6984 7.4462 106.2440 46.5584 0.0000 174.3726 89 V 4.0410 7.2459 115.0551 60.5156 32.4779 176.4879 90 V 2.9784 7.7556 113.1607 65.3049 28.9675 170.8994 91 D 4.2232 8.2327 132.6054 54.1484 47.3800 172.9430 92 L 3.8689 8.8535 124.8185 55.5477 42.2959 172.2879 93 N 4.8914 8.3266 120.8974 53.9057 42.0818 173.7772 94 T 4.2372 7.6164 113.3248 63.0147 73.2256 174.0772 95 L 4.4122 7.9659 120.5074 55.0693 39.2181 176.2343 96 K 4.6140 7.5721 117.7745 54.5868 35.6246 175.7657 97 A 4.3841 7.5169 120.5860 54.1071 20.3654 178.7672 98 A 4.1336 8.0288 117.5497 54.5155 18.7548 177.7359 99 N 4.9629 7.9266 111.6159 51.5061 41.7004 173.7461 100 I 4.6585 8.0693 122.2321 58.9491 41.3038 174.9117 101 I 3.6786 8.4066 125.7103 61.6325 38.2065 172.3372 102 G 3.7990 8.1892 115.5269 45.0873 0.0000 172.5142 103 I 4.3345 8.0180 126.5750 59.7624 38.2920 176.1441 104 Q 4.5352 8.3616 119.9973 56.4917 31.7848 173.6992 105 I 4.3745 7.4006 112.4758 58.6209 39.7867 174.8470 106 E 3.4206 8.2307 120.5325 58.9392 29.0249 177.2726 107 F 4.9163 6.9291 115.5482 55.3478 43.3838 172.4532 108 A 4.5039 8.1067 121.7521 47.7610 21.3259 172.3040 109 K 3.8582 6.7717 128.4785 54.7224 33.5229 175.2302 110 V 4.4525 8.1574 125.5599 60.9811 33.7326 175.7399 111 I 4.3508 7.9350 119.1805 59.5369 40.0372 174.4932 112 L 4.8894 8.1484 118.4941 54.5984 43.7919 174.2589 113 A 4.5593 8.4268 122.3662 52.7602 25.0720 180.7519 114 G 3.9793 5.6048 111.2823 44.6968 0.0000 174.0249 115 E 4.2357 8.7510 125.4466 56.1401 30.4017 178.3707 116 V 4.8940 8.4034 126.7550 61.3127 34.2628 176.5426 117 T 4.2826 8.1993 108.4309 62.9544 67.7222 172.8269 118 T 4.2560 8.2638 115.9874 62.1166 71.7205 171.9474 119 P 4.9521 0.0000 0.0000 61.3893 35.2910 173.8764 120 V 4.6195 7.6802 121.4265 62.2741 32.1512 171.2325 121 T 4.5378 8.1236 127.8442 62.0993 66.9972 175.1970 122 V 3.7731 8.0122 115.2831 61.8617 33.1081 176.1062 123 R 4.4888 8.4779 126.6369 57.4009 31.4824 176.4147 124 G 4.1372 9.2788 114.7673 45.5313 0.0000 175.6493 125 L 4.4567 9.4849 124.0293 54.6215 40.1267 178.1083 126 R 3.3708 9.3716 121.6826 58.6670 31.2365 175.9099 127 V 3.9984 7.8385 109.7937 63.1865 35.4347 174.1808 128 T 3.5668 8.6484 111.8954 62.5829 68.4064 173.0268 129 K 4.0055 8.6636 123.2024 59.4569 31.9923 179.3832 130 G 3.6544 8.0901 104.9673 48.0516 0.0000 174.7499 131 A 4.1778 8.4861 123.7250 54.0756 18.4034 179.2378 132 R 3.8188 8.7023 117.5853 58.8827 30.2931 177.7864 133 A 5.4655 8.0125 118.0598 51.2154 19.5927 176.6694 134 A 4.5302 8.0082 120.0035 53.4129 21.4016 178.0933 135 I 3.9919 7.6368 115.2936 63.0578 37.7475 177.3551 136 E 4.0503 8.1951 116.8939 57.5123 29.1037 178.0742 137 A 4.1486 7.8660 121.7264 53.9712 18.7973 177.1282 138 A 4.3228 8.2066 116.3594 51.9910 22.8248 177.0487 139 G 3.9642 8.1285 103.2316 44.9165 0.0000 174.2379 140 G 3.4781 8.0029 106.9976 46.4239 0.0000 171.2365 141 K 3.5459 8.5931 117.6613 57.0391 33.1466 173.3537 142 I 4.6876 8.3674 113.8508 61.7722 43.1496 175.7652 143 E 3.5679 8.1037 116.8136 56.8494 29.9755 174.1077 144 E 4.2913 8.3772 114.4824 57.3288 29.0981 174.7778 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 8.29 4.45 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 R 8.43 4.35 0.00 1.99 1.92 0.00 3.02 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 3 L 9.00 4.53 0.00 1.72 1.62 0.92 0.73 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 4 N 8.71 4.61 0.00 2.69 2.83 0.00 0.00 6.99 7.54 0.00 0.00 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 7.62 4.43 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 6 L 8.08 3.78 0.00 1.78 1.69 1.00 0.97 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 7 S 7.83 4.52 0.00 3.80 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 8 P 0.00 4.44 0.00 2.17 2.08 0.00 3.80 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 1.99 1.96 0.00 9 A 7.73 4.66 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 10 E 8.33 4.28 0.00 1.97 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 2.29 2.30 0.00 11 G 8.33 4.99 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 12 S 8.73 4.33 0.00 3.96 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 13 K 7.99 4.27 0.00 1.82 1.71 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.43 7.81 14 K 8.77 3.99 0.00 1.95 1.95 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.36 7.81 15 A 7.21 4.62 1.20 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 16 G 7.93 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 0.00 0.00 0.00 0.00 17 K 8.11 3.48 0.00 1.89 1.43 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 18 R 8.26 4.53 0.00 1.86 1.87 0.00 3.15 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 19 L 8.17 4.45 0.00 1.62 1.65 0.92 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 20 G 8.47 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 21 R 8.62 4.43 0.00 1.87 1.87 0.00 3.00 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 22 G 10.27 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 0.00 0.00 0.00 0.00 23 I 7.83 4.37 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 0.41 0.91 0.00 0.00 24 G 8.37 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 25 S 8.93 4.10 0.00 3.84 3.92 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 26 G 8.10 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.64 0.00 1.88 1.28 0.92 0.40 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 28 G 9.85 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 0.00 0.00 0.00 29 K 7.07 4.29 0.00 1.69 0.92 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.25 7.81 30 T 9.22 4.56 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 31 G 8.07 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 32 G 8.98 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 0.00 0.00 0.00 33 R 8.84 3.91 0.00 2.04 2.12 0.00 3.15 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 34 G 8.81 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 35 H 8.13 3.90 0.00 3.30 3.45 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.88 4.27 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.53 7.81 37 G 8.11 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 0.00 0.00 0.00 38 Q 8.28 3.36 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.25 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 39 K 9.16 3.80 0.00 1.99 1.90 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.43 7.81 40 S 9.24 3.74 0.00 3.99 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 41 R 8.48 4.14 0.00 1.92 2.15 0.00 3.31 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 42 S 7.37 4.21 0.00 3.95 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 43 G 7.39 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 44 G 8.00 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 0.00 0.00 0.00 45 G 8.78 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.09 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 0.85 0.00 0.00 0.86 0.00 0.00 47 R 7.53 4.16 0.00 1.94 1.90 0.00 3.18 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 48 R 8.49 4.04 0.00 1.89 1.93 0.00 3.35 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 49 G 8.71 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 0.00 0.00 0.00 50 F 7.46 4.68 0.00 3.25 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 51 E 7.56 4.19 0.00 2.09 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 2.25 2.13 0.00 52 G 6.60 3.21 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 53 G 8.23 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 4.50 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 55 M 8.93 4.22 0.00 2.09 2.19 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 2.54 2.48 0.00 56 P 0.00 3.86 0.00 2.07 1.50 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 57 L 8.67 3.59 0.00 0.27 1.10 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.90 3.85 0.00 3.19 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 59 R 7.82 4.50 0.00 2.02 1.89 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 60 R 8.38 4.12 0.00 1.68 1.75 0.00 3.22 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 61 L 7.72 4.30 0.00 1.62 1.53 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 3.73 0.00 1.92 1.85 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 63 K 8.01 4.45 0.00 1.57 1.62 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.35 7.81 64 F 7.60 4.39 0.00 3.10 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 65 G 8.84 4.10 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 0.00 0.00 0.00 66 F 7.24 4.43 0.00 3.28 3.20 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 67 T 7.85 3.89 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 1.15 0.00 0.00 68 S 8.51 4.63 0.00 4.00 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 69 R 8.94 3.91 0.00 2.02 2.14 0.00 2.99 0.00 0.00 3.56 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 70 K 8.68 3.95 0.00 1.88 1.98 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.54 7.81 71 A 7.32 4.05 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 72 A 9.59 4.13 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 73 I 8.15 4.06 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 1.43 0.64 0.94 0.00 0.00 74 T 8.12 3.48 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 1.49 0.00 0.00 75 A 7.55 4.09 1.27 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 0.00 0.00 0.00 76 E 8.29 4.47 0.00 1.88 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 2.33 2.20 0.00 77 I 8.59 4.03 1.89 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 1.41 0.49 0.92 0.00 0.00 78 R 8.80 4.28 0.00 1.79 1.79 0.00 3.09 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 79 L 8.37 4.27 0.00 1.78 1.75 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.77 3.61 0.00 3.99 3.98 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 81 D 8.70 4.40 0.00 2.77 3.01 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 0.00 0.00 0.00 82 L 7.33 3.54 0.00 1.66 1.56 0.92 1.03 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 83 A 8.39 3.95 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 84 K 7.80 3.91 0.00 1.91 2.10 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.34 7.81 85 V 7.12 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 0.75 0.00 0.00 0.98 0.00 0.00 86 E 7.83 4.69 0.00 2.02 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 2.28 2.15 0.00 87 G 8.33 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 88 G 7.45 4.70 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 89 V 7.25 4.04 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 0.93 0.00 0.00 90 V 7.76 2.98 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 0.78 0.00 0.00 0.94 0.00 0.00 91 D 8.23 4.22 0.00 2.65 2.52 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 92 L 8.85 3.87 0.00 1.79 1.87 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.33 4.89 0.00 2.66 2.75 0.00 0.00 6.95 7.54 0.00 0.00 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 T 7.62 4.24 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 95 L 7.97 4.41 0.00 1.65 1.64 0.92 0.80 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 96 K 7.57 4.61 0.00 1.69 1.81 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.49 7.81 97 A 7.52 4.38 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 98 A 8.03 4.13 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 99 N 7.93 4.96 0.00 2.66 2.70 0.00 0.00 6.57 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 0.00 100 I 8.07 4.66 1.96 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 1.43 1.00 0.91 0.00 0.00 101 I 8.41 3.68 1.87 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 1.35 0.80 0.95 0.00 0.00 102 G 8.19 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 0.00 103 I 8.02 4.33 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 1.47 1.02 0.89 0.00 0.00 104 Q 8.36 4.54 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 105 I 7.40 4.37 1.77 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 1.51 0.99 0.91 0.00 0.00 106 E 8.23 3.42 0.00 1.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 107 F 6.93 4.92 0.00 2.99 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 0.00 108 A 8.11 4.50 1.27 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 0.00 0.00 0.00 109 K 6.77 3.86 0.00 2.03 1.89 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.37 7.81 110 V 8.16 4.45 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 0.95 0.00 0.00 0.94 0.00 0.00 111 I 7.94 4.35 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 1.48 1.02 0.99 0.00 0.00 112 L 8.15 4.89 0.00 1.77 1.60 0.92 0.33 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 0.00 113 A 8.43 4.56 1.12 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 0.00 114 G 5.60 3.98 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 0.00 0.00 0.00 115 E 8.75 4.24 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 2.29 2.37 0.00 116 V 8.40 4.89 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 0.97 0.00 0.00 0.93 0.00 0.00 117 T 8.20 4.28 4.51 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 1.27 0.00 0.00 118 T 8.26 4.26 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 0.00 119 P 0.00 4.95 0.00 2.03 1.88 0.00 3.82 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 1.93 2.06 0.00 120 V 7.68 4.62 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 0.92 0.00 0.00 1.01 0.00 0.00 121 T 8.12 4.54 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 122 V 8.01 3.77 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 1.09 0.00 0.00 123 R 8.48 4.49 0.00 1.87 2.09 0.00 3.31 0.00 0.00 3.35 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 124 G 9.28 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 0.00 0.00 0.00 125 L 9.48 4.46 0.00 1.93 1.32 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 126 R 9.37 3.37 0.00 2.06 2.16 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 127 V 7.84 4.00 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 0.65 0.00 0.00 0.92 0.00 0.00 128 T 8.65 3.57 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 1.29 0.00 0.00 129 K 8.66 4.01 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.50 7.81 130 G 8.09 3.65 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 0.00 0.00 0.00 131 A 8.49 4.18 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 0.00 132 R 8.70 3.82 0.00 1.77 2.01 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 133 A 8.01 5.47 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 0.00 134 A 8.01 4.53 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 0.00 135 I 7.64 3.99 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 1.47 1.21 0.91 0.00 0.00 136 E 8.20 4.05 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 137 A 7.87 4.15 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 0.00 138 A 8.21 4.32 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 0.00 139 G 8.13 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 0.00 140 G 8.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.59 3.55 0.00 1.79 1.92 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.47 7.81 142 I 8.37 4.69 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 1.10 1.16 0.91 0.00 0.00 143 E 8.10 3.57 0.00 2.21 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 2.20 2.23 0.00 144 E 8.38 4.29 0.00 2.06 1.90 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 2.19 2.29 0.00