NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4207 8.3049 120.3162 55.0424 33.6994 174.9030 2 K 4.2205 7.9430 118.9965 55.1027 34.1710 176.7227 3 T 3.8731 8.3083 118.3793 67.1480 68.8948 176.7331 4 F 4.2935 8.2966 115.5667 59.7979 38.0023 177.1920 5 E 3.5609 7.0053 118.8755 59.0031 29.2650 179.0168 6 I 3.7171 7.5235 119.8246 64.1592 37.0356 178.4205 7 L 3.9799 8.0194 119.9263 57.8509 41.4966 179.7939 8 K 3.9977 8.1133 118.3642 59.6775 31.9355 179.2527 9 H 4.1822 8.1073 116.1854 58.8183 28.6598 177.8549 10 L 4.0123 8.1008 120.9083 57.7682 41.2598 179.3548 11 Q 4.1410 8.4430 119.6880 59.0389 29.0950 178.1639 12 A 4.0922 8.0968 121.8730 55.4244 18.4865 179.4037 13 D 4.3531 8.4229 117.2074 57.2207 40.7779 178.8633 14 A 4.0319 8.2476 121.4335 55.3813 18.6198 179.6135 15 I 3.2375 7.5285 117.2187 63.8344 37.8843 178.3104 16 V 3.5456 7.6197 118.9308 65.8721 31.2725 178.1043 17 L 3.7307 8.2040 119.2264 57.2606 41.2314 179.1166 18 F 4.1474 8.1776 120.9481 61.5624 39.4504 176.9379 19 M 3.8504 7.9445 117.4396 58.3111 31.9387 178.0386 20 K 3.4691 7.7912 119.8139 59.4475 32.3098 178.9739 21 V 3.5330 7.7220 111.8121 63.4695 31.4243 178.2733 22 H 3.3206 6.9660 115.4471 58.0964 28.2160 176.9048 23 N 4.0972 7.0139 118.3471 56.8188 38.7965 176.8747 24 F 4.1722 6.9609 118.6719 60.6936 38.6722 177.0457 25 H 4.2604 7.7805 118.4735 58.5368 29.6934 176.9466 26 W 4.7636 8.0482 119.5248 58.8311 29.4046 176.8400 27 N 5.1653 8.5359 114.8703 53.0538 39.3566 175.4248 28 V 4.3196 7.7147 118.1638 63.1674 32.1605 175.5631 29 K 4.7845 9.1512 125.5650 55.5152 35.8929 175.4805 30 G 4.1808 9.1564 108.7876 44.2998 0.0000 174.9533 31 T 4.1184 8.4806 108.5421 63.0562 68.9608 174.4645 32 D 4.6208 8.1991 121.6121 55.5659 41.7152 177.6643 33 F 3.5890 8.0759 120.3845 61.4649 40.4806 176.8944 34 F 4.0581 8.8734 121.5728 61.5876 39.1242 177.2637 35 N 4.2067 8.2747 115.4629 56.3993 38.4631 177.7556 36 V 3.6087 7.5766 119.9517 64.7111 31.4286 177.8804 37 H 3.7818 8.0760 119.5493 58.7733 29.2736 177.2316 38 K 3.7281 7.5670 121.2303 59.1877 31.9879 178.7637 39 A 3.8903 8.0883 121.6943 55.3639 18.2279 179.7389 40 T 3.7668 8.0409 108.6401 64.7288 68.7331 176.3293 41 E 2.5400 7.3766 120.7327 58.5864 29.6872 178.6339 42 E 3.7814 7.4677 118.3032 59.2119 29.4264 179.4931 43 I 3.6193 7.5361 120.1009 64.5152 37.2761 178.0882 44 Y 4.6131 7.8431 118.1931 59.7088 37.7797 177.8434 45 E 4.2656 7.9056 121.0466 59.3052 29.4258 178.7316 46 E 3.9153 7.9564 119.0040 59.3585 29.6788 178.9374 47 F 4.4240 8.2868 117.6480 60.4596 39.0358 177.5451 48 A 4.0807 8.5539 120.7604 55.2562 18.1001 179.4830 49 D 4.3975 8.1059 117.1219 57.6598 40.8500 178.6165 50 M 4.2098 8.5584 119.1024 58.6080 32.2858 177.8562 51 F 4.3328 8.8792 121.3030 61.6278 39.5577 176.6979 52 D 4.0928 8.1386 117.0045 57.2502 41.0058 177.9314 53 D 4.2433 8.4164 119.7216 57.1768 40.8395 178.6149 54 L 3.8433 8.2352 119.5823 57.8082 41.8071 179.4371 55 A 3.8864 7.5343 120.0286 55.3413 18.3051 179.6035 56 E 3.9220 8.1267 116.8822 59.1596 29.4865 179.5459 57 R 3.8364 8.0212 119.2115 59.2454 30.0457 178.5758 58 I 3.7608 7.7658 119.7181 64.5608 37.0375 178.8887 59 V 3.9133 7.6075 114.2574 63.8796 31.1207 178.6862 60 Q 3.9640 7.9775 117.1207 58.5911 28.6133 177.9472 61 L 4.3210 7.6910 117.5709 54.8788 41.8390 177.6351 62 G 3.6785 8.0810 107.4836 45.8201 0.0000 172.5049 63 H 4.6302 8.0684 116.6590 53.7033 32.0227 171.9761 64 H 4.8644 8.4065 117.3547 53.9218 29.6592 173.9111 65 P 4.6577 0.0000 0.0000 61.3706 32.5497 175.7379 66 L 4.3187 8.7432 119.7937 55.2599 41.7959 177.8875 67 V 4.4921 8.5263 114.0686 60.7777 33.3139 176.1374 68 T 4.7788 7.4447 110.1484 59.0604 73.0953 174.6428 69 L 4.0331 8.4904 122.3364 57.8556 41.1687 179.7794 70 S 4.0878 8.0143 112.8267 61.5274 62.4745 175.9630 71 E 4.0226 8.2519 121.0478 59.0887 29.1526 179.1445 72 A 4.0057 7.8489 120.7849 55.2194 18.3931 179.5428 73 I 3.9805 7.6115 110.1730 62.2921 37.8149 177.5049 74 K 4.1221 7.5036 120.2906 58.5449 32.2148 177.6006 75 L 4.4790 7.5579 117.4781 54.5257 42.5095 177.1156 76 T 4.2998 7.3545 109.5529 62.0622 69.1021 174.7260 77 R 4.4684 8.7151 119.6985 55.7480 31.2858 175.8393 78 V 3.9515 7.2927 118.4323 60.7547 32.7585 175.0460 79 K 4.1521 8.2733 128.4833 55.6602 32.9312 175.8012 80 E 4.0793 8.5039 126.5818 55.7989 30.3663 175.5296 81 E 4.5111 8.4840 125.1897 55.4272 30.1184 176.2885 82 T 4.2874 8.4393 114.1339 62.4874 69.8315 175.5427 83 K 4.2163 8.7271 122.5171 56.7880 32.4798 176.4646 84 T 4.6953 7.7871 109.8440 60.7948 69.2892 173.4978 85 S 4.6050 6.6050 114.1728 58.2333 65.2569 173.4823 86 F 5.0258 9.0405 124.4332 56.5889 44.3117 172.8063 87 H 5.2301 8.3703 116.4132 54.5841 31.7844 175.7702 88 S 3.5515 8.5532 116.1326 60.9641 62.9733 176.2595 89 K 3.9239 8.2560 121.9765 60.1032 31.8869 178.2882 90 D 4.3555 7.9803 118.2703 57.1803 40.6690 178.8830 91 I 2.4014 7.1910 119.8506 64.0662 37.0839 178.4055 92 F 4.3306 7.5757 118.3005 60.0766 38.5869 178.1327 93 K 4.0020 7.9499 118.4125 59.3810 31.7931 179.2115 94 E 3.9512 7.9125 118.7549 59.5406 29.3362 179.4282 95 I 3.6678 7.6243 119.7960 64.2290 37.1045 178.2396 96 L 3.8595 7.9017 121.0578 58.0892 41.9810 178.8076 97 E 4.0441 8.2754 118.5442 59.8075 29.4789 179.2513 98 D 4.6403 8.5098 118.9437 57.5432 40.7980 178.5243 99 Y 4.3937 8.6851 117.7863 61.1728 37.7956 178.5857 100 K 4.0945 8.5203 119.5178 59.5298 32.2144 178.8605 101 Y 4.1138 8.1304 119.4739 60.7254 38.7031 177.9344 102 L 3.6963 8.2412 119.9851 57.5566 41.7446 179.0848 103 E 3.9957 8.4572 119.4696 59.2508 29.5715 179.0770 104 K 3.9738 7.8233 118.2952 59.5244 32.0409 179.2270 105 E 3.8022 7.7546 118.5760 59.3679 29.2538 179.4183 106 F 4.0972 8.4207 117.7816 59.9689 38.8682 178.0349 107 K 4.0475 7.9864 118.6119 59.2371 31.8548 179.2216 108 E 3.9087 8.1380 118.9507 59.1850 29.3306 178.7945 109 L 3.8747 7.9712 120.5377 58.4301 42.2208 178.9473 110 S 4.1227 8.2775 112.7764 61.5091 62.2498 175.9368 111 N 4.3463 8.3636 119.3510 56.6861 38.3627 177.6435 112 T 3.9911 8.5087 111.2144 64.4973 68.8602 176.6202 113 A 4.1262 8.2960 125.4329 54.3348 18.3786 179.2094 114 E 3.8799 8.1501 117.6570 59.4603 29.5312 179.2377 115 K 4.0379 7.7050 117.0816 59.2747 32.1900 178.4809 116 E 4.2987 7.9590 116.3580 56.6078 29.6318 177.6812 117 G 3.8959 7.8501 107.1677 46.2766 0.0000 175.0755 118 D 4.6301 8.1394 121.4830 52.2795 38.9126 176.3599 119 K 3.8927 8.1893 123.9116 59.4332 32.6476 178.7272 120 V 3.7875 7.7583 111.6231 64.4473 31.4719 178.6395 121 T 4.1106 8.1643 115.3214 66.1973 68.1588 177.1154 122 V 3.6458 7.7265 120.4356 66.2671 31.6123 178.2822 123 T 3.8894 7.8673 109.1360 64.6890 68.6444 176.0160 124 Y 4.0027 8.0902 122.0775 60.4813 38.9091 177.7439 125 A 4.0241 8.4036 121.9302 55.4887 18.6288 179.4266 126 D 4.2846 8.3455 117.4561 57.4211 40.7926 178.8279 127 D 4.2352 7.9173 119.6704 57.3271 40.7120 178.7855 128 Q 3.5389 7.3442 118.4108 58.4393 28.3367 178.6173 129 L 3.7562 7.5440 119.8768 57.5848 41.6130 179.3491 130 A 3.9184 7.6805 120.3660 55.1791 18.3435 179.9030 131 K 3.8717 7.6435 116.4698 59.4824 31.9953 179.6714 132 L 3.7823 7.9222 119.4934 57.9385 41.4791 179.6858 133 Q 4.0404 8.3951 118.2822 58.5861 28.5772 178.7452 134 K 4.2582 7.9807 120.6003 59.7008 32.3114 179.1945 135 S 4.1648 8.1691 115.5140 61.5416 62.6639 176.6749 136 I 3.8609 8.3003 123.0038 63.9759 36.7585 178.1620 137 W 4.2793 8.1261 128.8149 60.9845 30.6203 177.8977 138 M 3.1762 7.5613 118.3774 57.9689 31.2920 178.8220 139 L 3.6683 8.1803 119.3963 57.8856 41.5905 179.6452 140 Q 3.9863 8.0757 116.6344 58.8305 29.0352 178.3425 141 A 4.1337 8.2690 122.2832 55.3839 18.1668 179.1452 142 H 3.9322 7.8928 115.8023 58.9977 29.9591 176.5777 143 L 4.3632 7.4978 117.4349 54.8027 41.6746 176.6996 144 A 4.3040 7.5730 127.8000 52.2219 19.1204 177.1653 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 4.42 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 2 K 7.94 4.22 0.00 1.53 1.80 0.00 1.52 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.62 7.81 3 T 8.31 3.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 4 F 8.30 4.29 0.00 3.17 3.22 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 0.00 0.00 0.00 0.00 5 E 7.01 3.56 0.00 1.78 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 1.77 1.47 0.00 6 I 7.52 3.72 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.79 0.00 0.00 7 L 8.02 3.98 0.00 1.93 1.74 0.98 1.09 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 8 K 8.11 4.00 0.00 1.73 1.83 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.74 7.81 9 H 8.11 4.18 0.00 3.34 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.10 4.01 0.00 1.94 1.69 0.58 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.44 4.14 0.00 2.26 2.33 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 2.53 2.25 0.00 12 A 8.10 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.42 4.35 0.00 2.99 2.87 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 14 A 8.25 4.03 1.70 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 15 I 7.53 3.24 0.89 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.95 0.94 0.00 0.00 16 V 7.62 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 17 L 8.20 3.73 0.00 1.32 0.28 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.18 4.15 0.00 3.12 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 19 M 7.94 3.85 0.00 2.26 2.02 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 2.49 2.55 0.00 20 K 7.79 3.47 0.00 1.76 1.62 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.66 1.09 7.81 21 V 7.72 3.53 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 0.90 0.00 0.00 1.09 0.00 0.00 22 H 6.97 3.32 0.00 2.51 1.31 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.01 4.10 0.00 2.63 2.45 0.00 0.00 7.24 6.99 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 24 F 6.96 4.17 0.00 2.95 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.78 4.26 0.00 3.05 3.04 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.05 4.76 0.00 3.56 3.12 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 27 N 8.54 5.17 0.00 3.22 3.12 0.00 0.00 6.62 8.43 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 28 V 7.71 4.32 2.17 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 0.67 0.00 0.00 0.87 0.00 0.00 29 K 9.15 4.78 0.00 1.62 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 G 9.16 4.18 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 0.00 0.00 0.00 31 T 8.48 4.12 4.30 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 1.25 0.00 0.00 32 D 8.20 4.62 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.08 3.59 0.00 3.40 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 34 F 8.87 4.06 0.00 3.31 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 35 N 8.27 4.21 0.00 3.00 2.90 0.00 0.00 6.86 7.68 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 36 V 7.58 3.61 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 0.89 0.00 0.00 0.65 0.00 0.00 37 H 8.08 3.78 0.00 2.16 2.92 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.57 3.73 0.00 1.25 1.55 0.00 1.38 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.30 7.81 39 A 8.09 3.89 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 40 T 8.04 3.77 4.33 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 1.16 0.00 0.00 41 E 7.38 2.54 0.00 1.68 1.81 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 1.87 1.83 0.00 42 E 7.47 3.78 0.00 2.05 1.86 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 2.21 2.30 0.00 43 I 7.54 3.62 2.04 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 1.62 0.76 1.17 0.00 0.00 44 Y 7.84 4.61 0.00 2.81 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.91 4.27 0.00 2.17 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 2.28 0.00 46 E 7.96 3.92 0.00 2.15 1.66 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 2.08 2.23 0.00 47 F 8.29 4.42 0.00 3.45 3.41 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 0.00 48 A 8.55 4.08 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.40 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.56 4.21 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.90 0.00 51 F 8.88 4.33 0.00 3.22 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 52 D 8.14 4.09 0.00 2.98 2.78 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 53 D 8.42 4.24 0.00 2.76 2.43 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 54 L 8.24 3.84 0.00 1.71 1.73 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.53 3.89 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 56 E 8.13 3.92 0.00 1.95 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 2.25 2.48 0.00 57 R 8.02 3.84 0.00 1.78 1.95 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 58 I 7.77 3.76 2.04 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 1.59 0.58 1.04 0.00 0.00 59 V 7.61 3.91 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 1.06 0.00 0.00 0.97 0.00 0.00 60 Q 7.98 3.96 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 61 L 7.69 4.32 0.00 1.93 1.76 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.08 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 63 H 8.07 4.63 0.00 3.03 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.41 4.86 0.00 3.18 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.66 0.00 2.09 2.16 0.00 3.80 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 1.95 1.93 0.00 66 L 8.74 4.32 0.00 1.72 1.70 1.00 1.11 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 67 V 8.53 4.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.98 0.00 0.00 68 T 7.44 4.78 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 1.26 0.00 0.00 69 L 8.49 4.03 0.00 1.76 1.76 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.01 4.09 0.00 3.89 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 71 E 8.25 4.02 0.00 2.22 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 2.34 2.34 0.00 72 A 7.85 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 73 I 7.61 3.98 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 1.65 1.42 0.89 0.00 0.00 74 K 7.50 4.12 0.00 1.89 2.06 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.48 7.81 75 L 7.56 4.48 0.00 1.75 1.65 0.94 0.74 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 76 T 7.35 4.30 4.42 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 0.00 0.00 1.26 0.00 0.00 77 R 8.72 4.47 0.00 1.43 1.77 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 78 V 7.29 3.95 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 0.70 0.00 0.00 0.90 0.00 0.00 79 K 8.27 4.15 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 80 E 8.50 4.08 0.00 1.94 1.80 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 2.26 2.26 0.00 81 E 8.48 4.51 0.00 1.88 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 2.49 2.47 0.00 82 T 8.44 4.29 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 83 K 8.73 4.22 0.00 1.93 1.46 0.00 1.69 0.00 0.00 2.16 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 84 T 7.79 4.70 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 1.30 0.00 0.00 85 S 6.60 4.61 0.00 3.72 3.50 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 0.00 0.00 0.00 0.00 86 F 9.04 5.03 0.00 2.98 2.82 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 87 H 8.37 5.23 0.00 3.09 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.55 3.55 0.00 3.96 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 89 K 8.26 3.92 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 90 D 7.98 4.36 0.00 2.91 2.74 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 91 I 7.19 2.40 1.18 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.44 -0.14 0.00 0.00 92 F 7.58 4.33 0.00 3.02 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 93 K 7.95 4.00 0.00 1.96 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 94 E 7.91 3.95 0.00 2.05 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 2.37 2.36 0.00 95 I 7.62 3.67 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.29 0.00 0.00 96 L 7.90 3.86 0.00 1.96 1.81 0.94 0.83 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 97 E 8.28 4.04 0.00 2.13 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 2.59 2.53 0.00 98 D 8.51 4.64 0.00 3.01 2.95 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 99 Y 8.69 4.39 0.00 3.25 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 0.00 100 K 8.52 4.09 0.00 2.10 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.69 7.81 101 Y 8.13 4.11 0.00 3.19 3.26 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 0.00 102 L 8.24 3.70 0.00 2.04 1.92 1.26 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.46 4.00 0.00 2.07 2.17 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 2.33 2.37 0.00 104 K 7.82 3.97 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 105 E 7.75 3.80 0.00 1.72 1.63 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 1.67 1.81 0.00 106 F 8.42 4.10 0.00 3.11 2.99 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 0.00 107 K 7.99 4.05 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 108 E 8.14 3.91 0.00 2.08 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 2.57 2.40 0.00 109 L 7.97 3.87 0.00 1.85 1.91 1.16 0.93 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 0.00 110 S 8.28 4.12 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.35 0.00 3.00 2.85 0.00 0.00 6.83 6.70 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 0.00 112 T 8.51 3.99 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 1.30 0.00 0.00 113 A 8.30 4.13 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 0.00 114 E 8.15 3.88 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 115 K 7.71 4.04 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 116 E 7.96 4.30 0.00 2.10 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 0.00 2.36 2.53 0.00 117 G 7.85 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 0.00 118 D 8.14 4.63 0.00 2.74 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 0.00 119 K 8.19 3.89 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.50 7.81 120 V 7.76 3.79 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 0.00 121 T 8.16 4.11 4.35 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 1.32 0.00 0.00 122 V 7.73 3.65 2.30 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 1.15 0.00 0.00 1.03 0.00 0.00 123 T 7.87 3.89 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 1.32 0.00 0.00 124 Y 8.09 4.00 0.00 3.17 3.28 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 0.00 125 A 8.40 4.02 1.55 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 0.00 126 D 8.35 4.28 0.00 2.73 2.68 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 0.00 127 D 7.92 4.24 0.00 2.61 2.55 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 0.00 128 Q 7.34 3.54 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 129 L 7.54 3.76 0.00 1.88 1.62 0.95 0.77 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 0.00 130 A 7.68 3.92 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 0.00 131 K 7.64 3.87 0.00 1.72 1.71 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.51 7.81 132 L 7.92 3.78 0.00 1.75 1.63 0.80 1.04 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 0.00 133 Q 8.40 4.04 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 134 K 7.98 4.26 0.00 1.91 1.99 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.87 7.81 135 S 8.17 4.16 0.00 4.25 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 0.00 136 I 8.30 3.86 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.01 1.01 0.00 0.00 137 W 8.13 4.28 0.00 3.34 3.41 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 0.00 138 M 7.56 3.18 0.00 1.63 1.85 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.04 0.00 139 L 8.18 3.67 0.00 1.80 1.61 0.62 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.08 3.99 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 141 A 8.27 4.13 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 0.00 142 H 7.89 3.93 0.00 2.89 3.24 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.50 4.36 0.00 1.68 1.69 0.93 0.89 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 0.00 144 A 7.57 4.30 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