NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2145 8.1633 120.2930 54.6762 33.1467 174.2254 2 K 3.8703 8.5222 126.3645 56.2678 32.5121 175.7692 3 G 3.9424 8.5850 113.8407 44.9806 0.0000 171.6772 4 D 4.6659 8.4451 119.2504 54.0740 42.0423 177.2556 5 T 3.8592 8.8275 122.7103 66.8408 68.5659 176.7192 6 K 3.8083 8.1665 120.9462 59.2043 32.2413 178.8333 7 V 3.9124 8.6324 118.9229 66.0996 31.4825 177.9805 8 I 3.7302 7.8031 119.4814 64.5965 36.9001 178.0437 9 N 4.2603 8.3097 117.2851 56.4762 38.3271 176.9862 10 Y 4.0955 8.0108 117.9053 61.1314 38.0588 178.5030 11 L 3.8584 8.5465 120.0324 58.1268 41.7217 179.3734 12 N 4.2755 8.6806 116.4236 56.1549 38.5693 177.4105 13 K 3.8566 8.1990 121.1490 59.4297 32.3880 178.7635 14 L 3.8264 8.1444 119.6027 57.6452 41.4089 178.9458 15 L 3.9695 7.8196 120.6026 58.4769 41.7698 179.1767 16 G 3.7109 8.2531 105.4631 48.0651 0.0000 175.3174 17 N 4.3671 7.9245 118.0926 56.2604 38.6094 177.4303 18 E 4.1155 8.3380 120.2572 59.2611 29.6387 179.3316 19 L 4.3101 8.3943 120.1147 58.2127 40.4224 179.7473 20 V 3.6366 7.6869 120.6539 64.6048 31.4108 178.1055 21 A 3.8011 7.9741 121.5001 54.9018 18.2908 179.6187 22 I 3.7628 8.2580 118.6043 64.7003 37.1203 178.5207 23 N 4.3895 7.7694 116.5103 56.3318 38.3948 177.3589 24 Q 3.8312 8.3138 121.3019 59.3778 29.0798 178.0204 25 Y 4.3378 8.2409 118.0684 60.8837 37.9143 177.9736 26 F 3.8586 8.3350 121.4532 61.0936 39.4823 176.6155 27 L 3.9172 8.2648 120.1450 58.7030 41.7881 178.3950 28 H 3.7499 8.2745 115.7539 58.8673 28.6192 177.2257 29 A 4.1707 8.3624 122.5685 55.6943 18.1335 179.9146 30 R 3.8232 7.7302 115.5363 58.6380 30.1415 179.2811 31 M 3.4468 7.7182 119.3086 58.1377 31.8760 178.4828 32 F 4.5380 7.6257 118.1920 60.5093 39.1421 177.5348 33 K 3.8616 8.3491 119.4519 59.6336 31.7809 177.9238 34 N 4.2356 7.9196 115.9058 56.8292 38.9062 176.3925 35 W 4.7378 7.8967 117.4739 57.9205 29.2820 177.2823 36 G 4.0207 8.1761 107.4449 45.5844 0.0000 174.9777 37 L 4.4004 8.0440 121.7768 53.0453 38.1862 177.1930 38 K 3.8263 7.9435 122.9330 60.0960 32.5161 177.3078 39 R 3.9411 8.3525 118.8728 59.1114 29.9123 178.3908 40 L 4.1208 7.9099 118.9874 57.2357 41.6198 178.7143 41 N 4.5181 8.1648 116.6497 56.7970 38.9958 176.2514 42 D 4.3063 8.1212 120.2298 57.5546 40.9494 179.2548 43 V 3.3431 7.4899 118.0052 66.0498 31.4234 177.9989 44 E 3.7129 8.3693 118.4649 59.0787 29.2802 178.6573 45 Y 3.8995 8.0652 119.8062 61.1550 38.9236 178.0784 46 H 4.2105 8.1234 116.6068 58.4937 28.5978 177.6226 47 E 3.6913 7.8963 120.8753 58.6924 29.1550 178.8741 48 S 4.1433 7.9818 113.7850 61.5198 62.3871 176.3129 49 I 3.5489 7.2916 122.2079 64.2876 36.8961 177.5288 50 D 4.2428 7.7910 118.7542 57.8107 40.9566 178.5041 51 E 4.1744 8.4272 118.8391 59.6236 29.3398 179.4604 52 M 4.0675 8.0311 118.8715 58.2593 32.0324 178.7115 53 K 3.8810 8.1559 118.7447 59.7744 32.2295 178.8897 54 H 4.0592 8.0463 115.8795 58.8605 28.6151 177.4457 55 A 4.2312 8.2009 122.4111 55.4596 18.1485 178.8813 56 D 4.3233 8.2641 116.4684 57.7902 41.3043 178.9199 57 R 3.8458 7.8441 118.1736 59.4276 30.0448 178.5867 58 Y 4.3254 7.6818 116.3709 61.2513 37.9199 178.7452 59 I 3.7675 8.2214 120.9554 64.7383 37.2738 178.4484 60 E 4.0974 8.5803 119.3161 58.8593 29.2173 179.5327 61 R 4.0095 7.9142 118.8673 59.4939 30.3199 178.2796 62 I 3.7533 8.4271 119.9231 64.6476 37.1526 178.3764 63 L 4.0787 8.1246 119.5615 57.8241 41.2106 179.4393 64 F 4.4306 8.0505 119.7169 61.1354 39.6831 176.4132 65 L 4.2511 8.3439 117.8766 53.6280 41.1399 176.9533 66 E 3.7047 7.8854 117.4772 57.5077 27.1618 174.5250 67 G 3.9645 8.4090 107.5495 43.9817 0.0000 173.7840 68 L 4.5306 8.0138 118.9737 51.9843 42.1449 175.2454 69 P 4.3971 0.0000 0.0000 62.5452 31.7335 175.8896 70 N 4.6936 9.5235 122.6271 52.4871 38.5784 173.8302 71 L 4.6465 8.3519 124.7152 54.5896 42.2331 177.3973 72 Q 4.2079 8.5477 122.6324 57.5202 29.5990 175.7926 73 D 4.6924 8.0435 117.2845 52.7425 41.9603 175.2303 74 L 4.5765 8.2858 125.4585 52.7148 44.0875 176.3730 75 G 3.7773 8.4752 115.2642 44.7724 0.0000 171.9365 76 K 4.1055 8.3054 120.6747 55.4945 32.2056 176.5562 77 L 4.0168 8.4089 127.1492 54.6567 42.1265 176.2244 78 N 4.8359 8.7700 121.3828 52.0138 40.3437 174.0652 79 I 3.8967 8.5890 126.8529 63.7884 37.7891 178.1521 80 G 4.1750 8.2620 101.9473 45.9412 0.0000 172.5860 81 E 4.7556 8.7260 116.5022 55.7410 31.7841 176.2977 82 D 5.0588 7.6966 117.7239 50.3081 43.9520 176.1683 83 V 4.0408 8.5328 119.1388 66.7982 31.3279 177.3813 84 E 3.8871 8.2574 117.9328 59.4075 29.5189 177.8744 85 E 3.9615 8.6327 119.2763 59.7973 29.6279 179.0475 86 M 4.2103 8.4244 116.9283 58.2486 31.5603 178.3311 87 L 4.1365 8.7533 120.6638 57.7591 41.8413 179.6012 88 R 3.9195 8.5186 118.8686 59.2801 30.0261 178.5443 89 S 4.0995 8.2154 113.0542 61.5589 62.4845 175.7301 90 D 4.3076 8.1512 121.5670 57.3478 40.4770 178.8009 91 L 4.0317 8.2629 120.5235 58.1804 42.1894 178.7686 92 A 3.9885 8.1719 120.7353 55.0074 18.1980 179.4897 93 L 3.9053 7.8215 118.4188 58.3714 42.2773 178.9001 94 E 4.0783 8.2970 118.5379 59.4531 29.5113 179.3603 95 L 4.0574 8.2393 119.1543 58.0416 41.7996 179.3895 96 D 4.5304 8.2510 118.9722 57.1633 40.6880 178.9805 97 G 3.6958 8.4158 106.0057 47.2035 0.0000 175.8403 98 A 4.0293 8.0589 123.3551 54.7720 18.5148 179.3417 99 K 3.8078 7.9087 117.7811 59.9845 32.2040 178.6386 100 N 4.3835 8.0732 116.2173 56.3391 38.3827 177.3701 101 L 3.9704 8.1495 120.3981 57.8505 41.8119 179.7287 102 R 3.8982 8.3481 118.3595 59.1634 29.8769 178.7170 103 E 3.8462 8.0651 118.4572 59.2236 29.6167 178.6882 104 A 2.7682 7.7290 120.7450 54.8093 18.3630 179.4566 105 I 3.6868 8.0018 118.8351 64.6127 37.3173 178.7780 106 G 3.6389 7.8576 105.8635 47.9556 0.0000 175.1454 107 Y 3.9848 7.6588 121.7108 60.1742 38.9135 177.1123 108 A 3.7968 8.1184 122.1765 55.5325 18.4472 179.0202 109 D 4.0505 7.9073 116.3201 57.4970 41.0270 178.5828 110 S 4.1185 7.3956 112.9127 60.4014 63.2284 175.7352 111 V 3.9141 6.8144 114.2369 60.7910 31.4117 176.0426 112 H 2.9324 7.0249 113.8733 56.5846 27.1079 176.4278 113 D 4.5419 7.2936 121.4016 53.5272 37.7347 176.2439 114 Y 4.2696 7.5241 121.3129 60.3308 38.3716 178.0093 115 V 3.7663 7.8330 119.9934 64.5330 31.8800 178.2598 116 S 4.1545 8.4612 115.8651 61.4697 62.6321 176.6078 117 R 3.8846 8.1198 121.1201 59.5390 29.8424 177.9644 118 D 4.3178 8.2996 117.8566 57.6353 41.2386 177.8743 119 M 4.0016 8.3190 118.8638 58.9123 32.1313 178.0395 120 M 4.1125 8.4300 119.1776 58.4468 32.1351 178.7927 121 I 3.7026 8.0952 120.1995 64.4775 37.4021 178.2962 122 E 3.9722 8.1151 119.2847 59.3671 29.1785 179.4677 123 I 3.5191 7.6695 119.7814 64.3833 37.1658 178.2104 124 L 3.9349 8.1725 121.3153 58.0613 41.8152 178.8987 125 R 3.8950 8.1348 118.7310 59.5780 29.9982 178.2423 126 D 4.3285 7.9332 118.3569 57.3114 40.8071 178.6619 127 E 3.9341 8.3171 119.2361 59.4264 29.4713 178.8230 128 E 4.0906 8.6569 119.9044 59.2559 29.6332 178.9689 129 G 3.7361 7.9939 105.5998 48.4124 0.0000 175.3088 130 H 4.4431 8.0988 119.1321 58.4170 28.6256 177.8466 131 I 3.8167 8.5086 121.9915 64.5688 36.9534 177.5436 132 D 4.4219 8.5188 119.1271 57.3707 40.9632 178.4645 133 W 4.1182 8.3061 128.2748 60.4874 30.8336 177.7012 134 L 3.7621 8.3353 118.9254 58.0073 41.1404 179.4213 135 E 3.9363 8.4925 118.5436 59.7361 29.3447 179.6301 136 T 3.7989 7.9952 115.7416 66.6066 68.5022 176.5804 137 E 3.7851 7.6851 120.3338 59.3801 29.5468 179.3715 138 L 3.7735 7.7062 118.8838 57.9238 41.6167 179.3862 139 D 4.4044 8.0918 118.7256 56.9849 40.6760 178.7870 140 L 4.0217 7.9490 119.8720 57.7580 41.4778 179.3802 141 I 3.4159 7.5387 119.7996 64.4424 36.6815 178.4728 142 Q 3.9868 7.2579 117.0638 58.6333 28.6811 178.4146 143 K 4.1430 7.8677 119.0199 58.9760 32.3198 178.4763 144 M 4.3858 8.2567 114.4077 53.8276 32.3935 177.0252 145 G 4.1254 7.3786 105.7420 45.9553 0.0000 174.5910 146 L 3.8895 8.3908 121.0582 58.1128 42.1914 179.0308 147 Q 4.0012 8.1661 117.5058 59.4917 28.8263 179.0468 148 N 4.3722 8.1554 116.5335 56.2815 38.3740 176.6943 149 Y 3.9612 7.8145 120.1388 60.7059 39.2437 177.7585 150 L 4.1247 8.4662 120.2901 58.0303 41.8686 179.3719 151 Q 3.9596 8.1539 119.1169 59.0186 28.7871 177.7659 152 A 4.1489 7.5732 119.4141 53.6533 18.6189 178.2646 153 Q 4.2985 7.6316 115.7869 55.6602 29.0973 177.6052 154 I 3.8665 7.5210 121.6259 63.6292 37.4122 176.6397 155 R 4.6247 7.5463 117.2785 54.1029 32.1293 175.9344 156 E 4.1427 8.5435 117.0046 56.7189 29.8494 176.6087 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 8.16 4.21 0.00 1.51 1.67 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.52 3.87 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.58 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 0.00 0.00 0.00 4 D 8.45 4.67 0.00 2.76 2.59 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 5 T 8.83 3.86 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 1.18 0.00 0.00 6 K 8.17 3.81 0.00 1.73 1.98 0.00 1.48 0.00 0.00 1.13 0.00 0.00 2.55 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.72 1.03 7.81 7 V 8.63 3.91 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 0.93 0.00 0.00 1.21 0.00 0.00 8 I 7.80 3.73 2.05 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 1.55 0.63 0.92 0.00 0.00 9 N 8.31 4.26 0.00 2.62 2.66 0.00 0.00 7.09 7.56 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 10 Y 8.01 4.10 0.00 3.31 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 11 L 8.55 3.86 0.00 2.02 1.78 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.68 4.28 0.00 2.85 2.83 0.00 0.00 6.72 8.23 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 13 K 8.20 3.86 0.00 1.79 1.98 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.14 3.83 0.00 1.06 1.21 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.82 3.97 0.00 1.67 1.86 1.03 1.06 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 16 G 8.25 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 17 N 7.92 4.37 0.00 3.01 2.90 0.00 0.00 7.01 6.95 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 18 E 8.34 4.12 0.00 2.26 2.28 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 2.71 2.87 0.00 19 L 8.39 4.31 0.00 1.83 1.95 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 3.64 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 0.98 0.00 0.00 0.89 0.00 0.00 21 A 7.97 3.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.26 3.76 1.89 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 1.61 1.32 0.90 0.00 0.00 23 N 7.77 4.39 0.00 3.01 2.85 0.00 0.00 6.70 8.00 0.00 0.00 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 8.31 3.83 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 25 Y 8.24 4.34 0.00 3.17 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 26 F 8.33 3.86 0.00 3.39 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.26 3.92 0.00 1.94 1.59 0.88 1.27 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 28 H 8.27 3.75 0.00 3.47 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.36 4.17 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 30 R 7.73 3.82 0.00 1.72 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.65 0.00 31 M 7.72 3.45 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 F 7.63 4.54 0.00 3.31 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 33 K 8.35 3.86 0.00 1.95 1.89 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 34 N 7.92 4.24 0.00 2.70 2.72 0.00 0.00 7.36 8.79 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 35 W 7.90 4.74 0.00 3.74 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 36 G 8.18 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 37 L 8.04 4.40 0.00 2.16 1.68 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.83 0.00 1.97 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.59 7.81 39 R 8.35 3.94 0.00 2.01 2.02 0.00 3.35 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 L 7.91 4.12 0.00 1.66 0.94 1.05 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.52 0.00 3.13 3.00 0.00 0.00 7.21 8.49 0.00 0.00 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 D 8.12 4.31 0.00 2.88 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 43 V 7.49 3.34 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 -0.69 0.00 0.00 0.76 0.00 0.00 44 E 8.37 3.71 0.00 2.26 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 0.00 2.53 3.06 0.00 45 Y 8.07 3.90 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.21 0.00 3.25 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.90 3.69 0.00 1.31 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 1.70 1.89 0.00 48 S 7.98 4.14 0.00 4.03 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 49 I 7.29 3.55 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.85 0.00 0.00 50 D 7.79 4.24 0.00 2.93 2.64 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 51 E 8.43 4.17 0.00 2.10 2.19 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 2.73 2.81 0.00 52 M 8.03 4.07 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 53 K 8.16 3.88 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 54 H 8.05 4.06 0.00 3.56 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.20 4.23 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.26 4.32 0.00 2.88 2.89 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 57 R 7.84 3.85 0.00 1.80 1.76 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 58 Y 7.68 4.33 0.00 3.24 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 59 I 8.22 3.77 2.06 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 1.58 1.00 0.95 0.00 0.00 60 E 8.58 4.10 0.00 2.01 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 2.35 2.58 0.00 61 R 7.91 4.01 0.00 2.18 2.22 0.00 3.38 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.43 3.75 1.94 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 1.60 0.77 0.99 0.00 0.00 63 L 8.12 4.08 0.00 2.08 1.80 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.05 4.43 0.00 3.02 3.35 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 65 L 8.34 4.25 0.00 1.67 1.60 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.89 3.70 0.00 2.07 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 2.17 2.36 0.00 67 G 8.41 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 68 L 8.01 4.53 0.00 1.62 1.63 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.52 4.69 0.00 2.60 2.82 0.00 0.00 7.12 7.69 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 71 L 8.35 4.65 0.00 1.63 1.64 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.55 4.21 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.04 4.69 0.00 2.68 2.56 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 74 L 8.29 4.58 0.00 1.52 1.50 0.91 1.10 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 75 G 8.48 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.11 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.41 4.02 0.00 1.64 1.57 0.89 0.97 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 78 N 8.77 4.84 0.00 2.63 2.69 0.00 0.00 7.22 8.11 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 79 I 8.59 3.90 1.89 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 1.34 0.93 0.93 0.00 0.00 80 G 8.26 4.17 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 0.00 81 E 8.73 4.76 0.00 2.00 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 2.27 2.31 0.00 82 D 7.70 5.06 0.00 2.81 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 83 V 8.53 4.04 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 1.18 0.00 0.00 1.25 0.00 0.00 84 E 8.26 3.89 0.00 2.03 1.91 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 2.32 2.26 0.00 85 E 8.63 3.96 0.00 2.42 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 0.00 2.35 2.38 0.00 86 M 8.42 4.21 0.00 2.33 1.76 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.92 0.00 87 L 8.75 4.14 0.00 2.00 1.79 1.25 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.52 3.92 0.00 2.06 1.94 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.22 4.10 0.00 4.09 4.07 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 90 D 8.15 4.31 0.00 3.18 2.89 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 91 L 8.26 4.03 0.00 1.84 1.86 0.98 0.89 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 92 A 8.17 3.99 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 93 L 7.82 3.91 0.00 1.92 1.82 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.30 4.08 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 95 L 8.24 4.06 0.00 2.03 1.74 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.25 4.53 0.00 2.84 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 97 G 8.42 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 98 A 8.06 4.03 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 99 K 7.91 3.81 0.00 2.04 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.07 4.38 0.00 3.01 2.90 0.00 0.00 7.11 6.45 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 0.00 101 L 8.15 3.97 0.00 2.00 1.73 0.98 0.88 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 0.00 102 R 8.35 3.90 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 103 E 8.07 3.85 0.00 2.22 1.98 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 2.36 2.37 0.00 104 A 7.73 2.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.00 3.69 2.05 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 1.46 0.55 0.91 0.00 0.00 106 G 7.86 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 0.00 107 Y 7.66 3.98 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.80 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 0.00 109 D 7.91 4.05 0.00 2.74 2.80 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 0.00 110 S 7.40 4.12 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.81 3.91 1.91 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 0.50 0.00 0.00 0.61 0.00 0.00 112 H 7.02 2.93 0.00 3.19 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.29 4.54 0.00 2.64 2.46 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 0.00 114 Y 7.52 4.27 0.00 3.11 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 0.00 115 V 7.83 3.77 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 0.95 0.00 0.00 0.99 0.00 0.00 116 S 8.46 4.15 0.00 4.15 4.05 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 0.00 0.00 0.00 117 R 8.12 3.88 0.00 1.88 2.21 0.00 3.32 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 1.69 1.67 0.00 118 D 8.30 4.32 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.32 4.00 0.00 2.23 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 2.48 2.46 0.00 120 M 8.43 4.11 0.00 2.13 2.28 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 2.91 2.81 0.00 121 I 8.10 3.70 2.01 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 1.53 0.87 0.92 0.00 0.00 122 E 8.12 3.97 0.00 1.97 1.98 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 2.46 2.48 0.00 123 I 7.67 3.52 1.96 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.72 0.00 0.00 124 L 8.17 3.93 0.00 1.76 1.85 0.95 1.16 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 0.00 125 R 8.13 3.90 0.00 1.92 2.12 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.93 4.33 0.00 3.00 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 0.00 127 E 8.32 3.93 0.00 2.15 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 0.00 2.57 2.53 0.00 128 E 8.66 4.09 0.00 2.31 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 2.34 2.42 0.00 129 G 7.99 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 0.00 130 H 8.10 4.44 0.00 3.53 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.51 3.82 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.97 0.00 0.00 132 D 8.52 4.42 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.31 4.12 0.00 3.56 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 0.00 134 L 8.34 3.76 0.00 2.03 1.76 1.31 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.94 0.00 2.14 1.98 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 2.33 2.38 0.00 136 T 8.00 3.80 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 1.18 0.00 0.00 137 E 7.69 3.79 0.00 1.57 1.68 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 1.47 1.47 0.00 138 L 7.71 3.77 0.00 1.74 1.62 0.89 0.84 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 0.00 139 D 8.09 4.40 0.00 2.77 2.66 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 0.00 140 L 7.95 4.02 0.00 1.91 1.85 1.01 0.64 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 0.00 141 I 7.54 3.42 1.69 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.43 0.69 0.00 0.00 142 Q 7.26 3.99 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 7.87 4.14 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.26 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 145 G 7.38 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.39 3.89 0.00 1.73 1.66 0.93 0.68 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 0.00 147 Q 8.17 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 148 N 8.16 4.37 0.00 2.99 2.89 0.00 0.00 6.66 7.48 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 0.00 149 Y 7.81 3.96 0.00 3.04 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 0.00 150 L 8.47 4.12 0.00 2.02 1.72 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.15 3.96 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 A 7.57 4.15 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 0.00 153 Q 7.63 4.30 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 154 I 7.52 3.87 2.00 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.62 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 156 E 8.54 4.14 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 2.26 2.28 0.00