NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3374 8.3049 118.1869 54.2265 33.2150 174.7735 2 K 4.2096 7.9372 119.4611 54.5908 33.9042 173.7419 3 T 4.6407 9.0570 122.2285 61.0028 71.8672 172.5788 4 P 4.4865 0.0000 0.0000 65.3216 32.6255 176.8917 5 L 4.5409 7.9148 118.3992 55.6136 42.3352 177.1230 6 V 4.8579 9.1525 121.6985 61.8090 35.6760 173.8240 7 T 4.6760 8.7902 115.3211 61.2554 70.1109 175.7293 8 R 3.9722 8.8639 123.6749 59.5063 29.7191 178.4902 9 E 4.9799 7.8627 118.4749 59.4049 29.6092 179.2329 10 G 3.9503 7.8874 107.1713 47.0844 0.0000 174.9458 11 Y 3.6232 8.0091 121.3108 60.7851 38.8743 177.4685 12 E 4.0619 8.1702 119.1538 59.7829 29.5340 179.7352 13 K 3.9362 7.8256 116.8426 59.5093 32.2121 179.0423 14 L 3.9277 7.7368 118.5812 58.0975 41.6727 180.0614 15 K 3.9653 8.1477 117.9009 59.5075 32.0769 178.9875 16 Q 4.0339 8.3413 120.1673 59.5287 28.8163 178.1170 17 E 3.9710 8.9269 119.7311 59.5372 29.5859 178.9025 18 L 3.6564 7.9617 119.6988 58.5154 41.9728 179.2268 19 N 4.4808 8.1432 116.0962 56.6768 38.5818 176.8428 20 Y 4.1296 8.6796 121.1025 60.4727 38.7222 178.2236 21 L 4.0773 9.0467 121.0911 57.5579 41.6823 178.9280 22 W 4.3671 8.2842 126.3993 59.1835 30.8631 177.4110 23 R 4.0421 8.2481 116.1839 56.0868 30.3636 176.8338 24 E 4.4156 8.0079 117.4724 57.3546 31.2801 177.0723 25 E 4.5464 8.5899 117.9450 58.1661 30.1143 178.3258 26 R 3.8975 8.2318 119.1927 59.0315 30.1379 176.7066 27 P 4.2084 0.0000 0.0000 65.5472 31.2555 178.1907 28 E 3.9589 7.5633 117.6864 59.4767 29.4510 179.5641 29 V 3.6281 8.1259 118.4832 66.3791 31.5520 178.0249 30 T 3.8816 8.0142 109.5009 64.8588 67.9112 176.0076 31 K 3.9645 7.9814 121.8098 59.0626 32.1343 178.8022 32 K 4.0658 7.9236 120.0242 59.7183 32.1504 178.8525 33 V 3.7023 7.6673 118.0339 66.7386 31.2876 177.7117 34 T 3.9170 7.8491 115.5477 66.3696 68.3257 176.2503 35 W 4.0753 8.5257 130.6903 59.6980 30.6351 177.8317 36 A 4.1621 8.7122 121.1726 55.3927 17.5786 179.5651 37 A 3.8176 7.7364 118.1240 55.2728 18.7606 179.5695 38 S 4.0926 7.7769 112.3906 61.7554 62.5744 176.8311 39 L 4.3003 8.7881 122.1039 57.2034 41.8478 177.5599 40 G 3.9195 7.3928 104.0541 45.6894 0.0000 171.3009 41 D 4.3469 8.0227 119.0168 53.7182 39.7753 177.4389 42 R 3.4673 8.4266 121.9272 59.6105 30.4771 178.2873 43 S 4.2665 8.0461 110.5384 61.3303 62.6514 174.9387 44 E 3.9551 8.1624 119.0939 58.7367 29.4727 176.0780 45 N 4.5308 7.8582 117.3497 52.9630 39.0788 175.2406 46 A 4.0673 8.6288 128.2703 54.6774 18.8236 178.5287 47 D 4.5709 8.6248 117.6369 57.1774 40.8549 178.2649 48 Y 4.1741 8.3154 119.9787 60.6398 38.8723 177.8323 49 Q 3.8539 7.9288 118.7047 58.9695 28.9943 177.6840 50 Y 4.0973 8.4194 120.9390 61.0680 38.9131 178.1537 51 N 4.2393 8.3209 117.1488 55.8309 38.5797 177.4170 52 K 3.7846 7.5432 121.3402 59.0294 32.1175 178.8078 53 K 3.7830 7.8134 119.8986 59.6239 32.2117 178.7307 54 R 4.2715 7.5492 120.1503 58.7408 29.7642 178.0401 55 L 4.0804 7.6722 119.5356 57.6741 41.9306 179.0662 56 R 3.9173 7.8812 118.3173 59.1377 29.9938 178.8130 57 E 3.9391 8.9367 119.2390 59.2909 29.4531 179.3193 58 I 3.6361 7.9647 120.2076 64.7147 37.4305 178.3392 59 D 4.5280 8.2786 119.0282 56.7197 40.5352 179.1972 60 R 3.8953 7.6150 119.4299 59.3833 30.2054 178.9092 61 R 3.9551 7.9915 118.4069 59.3152 30.1208 178.5587 62 V 3.6797 7.8621 118.3073 65.8812 31.3286 178.0045 63 R 3.8478 7.8671 117.9967 59.5447 29.9663 177.6485 64 Y 4.0262 8.0454 119.2138 60.7015 38.8331 177.5618 65 L 3.9501 8.6170 121.3778 58.8064 41.6562 178.8200 66 T 3.8576 7.7559 115.2229 66.7841 68.5097 176.5773 67 K 3.7925 7.8086 120.0965 60.1955 32.6729 179.0834 68 C 4.0686 8.1221 117.8823 62.1874 27.6503 175.7146 69 M 3.9308 7.8025 119.6204 58.7035 31.8976 177.7549 70 E 4.1840 7.6150 117.2893 58.7591 29.8289 178.0993 71 N 4.6986 7.8727 114.3332 52.9466 39.4652 175.5543 72 L 4.3217 7.7470 121.5034 54.9557 42.5085 176.7171 73 K 4.5556 9.1054 123.8147 55.0068 34.0069 175.9438 74 I 4.8924 8.1803 125.2699 59.9401 38.5120 176.1885 75 V 4.0546 7.9029 124.6052 61.1476 30.6586 174.7048 76 D 4.7147 8.1989 122.2421 52.8239 39.7719 173.2299 77 Y 4.5714 8.0930 122.5547 55.1345 41.5503 174.9336 78 S 4.6559 7.2865 120.9116 55.6625 64.5945 172.2211 79 P 3.8855 0.0000 0.0000 65.4887 30.3426 177.0859 80 Q 3.4504 6.4358 115.4589 60.2659 29.3512 177.7742 81 Q 4.2950 8.6121 127.6921 54.9485 27.7074 174.6960 82 E 4.4427 8.4815 123.6180 53.9522 32.9968 174.3017 83 G 4.3928 9.1385 111.4455 45.5919 0.0000 173.8074 84 K 4.1774 7.5310 120.1115 54.4439 33.2702 176.6008 85 V 3.7000 8.6936 125.4014 66.9007 31.3344 180.0089 86 F 3.1919 5.8169 110.8688 56.6267 40.4029 175.4255 87 F 4.8968 7.8185 124.3626 57.2332 42.9256 174.3714 88 G 3.4234 6.2715 110.1973 46.0665 0.0000 172.8672 89 A 3.9588 7.1310 120.6333 49.0964 21.3456 177.0170 90 W 4.3332 8.9917 124.0046 56.8506 29.9920 175.8830 91 V 4.8080 8.4125 125.4591 60.9170 34.2146 174.0091 92 E 4.7939 8.3341 124.8074 54.4736 32.5814 175.1082 93 I 5.4447 8.1529 116.0796 59.2749 41.7081 173.7182 94 E 5.1476 9.4584 120.6066 54.7522 32.7732 174.1954 95 N 4.9106 8.4218 117.3857 51.7571 42.2089 174.8058 96 D 4.3141 8.8097 123.8872 57.7265 41.3974 177.3443 97 D 4.4780 7.9750 115.2258 55.1434 41.1262 176.4649 98 G 4.1050 8.1340 108.6393 45.9248 0.0000 174.4014 99 V 4.1936 7.7519 119.7324 61.2712 32.4484 173.8890 100 T 5.1569 8.4890 121.8985 59.6762 68.2532 172.5304 101 H 4.9507 8.7302 127.9332 54.8114 33.5537 172.9824 102 R 4.8084 8.7811 122.3626 54.2356 31.3986 175.4452 103 F 4.8387 7.1328 117.0176 56.6999 39.5464 172.4887 104 R 4.8900 7.8865 121.3338 53.5755 32.6355 174.8440 105 I 4.2770 7.8233 126.3250 60.7938 38.5417 175.2671 106 V 4.6728 8.6736 119.6702 59.2557 36.5914 175.2393 107 G 4.0784 8.7941 110.7963 45.6248 0.0000 173.4486 108 Y 4.0875 8.7559 122.1340 60.4863 39.0308 176.9673 109 D 4.3272 8.2841 118.1517 57.0747 40.9286 177.6695 110 E 4.0727 7.6852 123.1700 53.9282 30.5685 174.2835 111 I 4.1774 6.5288 121.3764 58.7362 41.2799 174.2725 112 F 4.7607 8.1365 123.9972 56.0270 43.0325 175.2950 113 G 3.4536 8.6297 106.9845 46.7306 0.0000 175.0620 114 R 4.1139 7.8790 117.0264 58.2266 30.2653 178.1613 115 K 4.3233 8.0520 118.5629 57.2995 32.8627 177.1658 116 D 4.4948 7.7282 116.0453 53.4000 44.7738 175.5202 117 Y 4.8252 8.7562 123.9837 56.7612 38.6945 175.6857 118 I 4.5810 7.3880 120.1380 60.5767 41.1429 175.7029 119 S 5.7523 8.8396 121.4931 56.6778 64.3375 174.4128 120 I 3.8708 8.4283 115.5056 63.6739 38.7308 177.1369 121 D 4.8753 7.5942 121.7217 54.3977 40.5879 176.0121 122 S 4.7609 8.1966 113.6339 55.6142 65.3760 172.4813 123 P 4.1120 0.0000 0.0000 66.5898 30.9738 178.2529 124 M 3.7683 7.8719 115.5330 58.8754 31.8366 178.2029 125 A 3.9682 7.4804 119.1401 54.9137 18.8526 179.7287 126 R 3.9729 8.2239 117.0433 59.2954 30.0321 178.8045 127 A 3.9779 7.8925 119.3830 55.3201 18.6446 179.2240 128 L 4.1197 8.1053 116.0815 57.4992 41.9463 177.9935 129 L 3.6664 7.4916 116.4549 57.4005 42.7707 175.8414 130 K 4.3883 7.5670 125.0852 53.8903 32.8261 174.8361 131 K 4.5190 7.7496 119.8905 53.7979 36.4153 176.1285 132 E 4.0612 8.5211 123.6846 56.0993 29.9319 178.0257 133 V 3.8236 8.2924 114.1114 63.8907 31.9894 177.4417 134 G 4.4806 7.7206 106.7181 44.3536 0.0000 172.6318 135 D 5.0315 8.2456 119.4203 53.0981 44.2462 177.4685 136 L 4.6126 8.4481 120.1329 53.4142 41.7669 175.9677 137 A 4.5526 8.9867 126.7489 50.8653 20.6099 176.0717 138 V 4.9879 8.2876 119.6996 61.3877 34.8247 175.3006 139 V 4.7525 8.9450 118.6873 59.8709 36.0949 173.7658 140 N 5.6641 8.5146 121.2936 51.8170 40.6955 173.1246 141 T 4.3376 9.4955 113.4703 61.3410 70.8261 172.4249 142 P 3.4144 0.0000 0.0000 64.1750 32.0269 176.2462 143 A 4.2329 8.2578 128.3486 52.7725 20.2893 178.2140 144 G 3.8545 7.8830 106.6328 44.5126 0.0000 172.4298 145 E 5.0551 8.5171 124.1009 54.0021 31.6579 175.3971 146 A 4.6636 8.8845 124.5690 50.4794 23.3136 174.7930 147 S 5.0611 8.1370 115.3224 56.3289 65.4420 173.4579 148 W 5.2122 9.6299 122.8128 55.1372 34.1218 173.4188 149 Y 5.3119 8.6226 119.9932 56.0912 40.1110 175.4028 150 V 3.6546 8.9625 125.4058 63.7906 32.0852 174.4997 151 N 4.9009 9.5508 127.1805 53.5715 38.3514 174.5614 152 A 4.7639 7.7325 119.1606 50.3141 23.6754 174.3224 153 I 4.7294 8.4932 121.2126 59.4485 39.8740 174.5538 154 E 4.7694 9.1646 129.3866 54.8860 32.5087 174.6818 155 Y 4.8650 9.0003 123.2751 56.3292 39.5193 176.4438 156 V 4.0554 8.2139 123.2870 61.9589 31.4652 174.6804 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 4.34 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 2 K 7.94 4.21 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.45 7.81 3 T 9.06 4.64 4.36 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 1.27 0.00 0.00 4 P 0.00 4.49 0.00 2.08 2.10 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 5 L 7.91 4.54 0.00 1.54 1.43 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.15 4.86 2.38 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 1.24 0.00 0.00 1.09 0.00 0.00 7 T 8.79 4.68 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 1.34 0.00 0.00 8 R 8.86 3.97 0.00 1.96 2.05 0.00 3.40 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 9 E 7.86 4.98 0.00 2.33 2.29 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 2.49 2.37 0.00 10 G 7.89 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 11 Y 8.01 3.62 0.00 3.38 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 12 E 8.17 4.06 0.00 2.15 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 2.43 2.88 0.00 13 K 7.83 3.94 0.00 1.91 1.73 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.55 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.73 7.81 14 L 7.74 3.93 0.00 1.69 1.63 0.57 0.83 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 15 K 8.15 3.97 0.00 2.09 1.91 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 16 Q 8.34 4.03 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 17 E 8.93 3.97 0.00 2.20 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 2.32 2.45 0.00 18 L 7.96 3.66 0.00 1.78 1.88 0.92 0.93 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 19 N 8.14 4.48 0.00 3.15 2.94 0.00 0.00 6.53 7.22 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 20 Y 8.68 4.13 0.00 3.15 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 21 L 9.05 4.08 0.00 2.04 1.83 0.96 0.25 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 22 W 8.28 4.37 0.00 3.31 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 23 R 8.25 4.04 0.00 2.10 1.87 0.00 3.21 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.00 24 E 8.01 4.42 0.00 1.82 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.45 0.00 25 E 8.59 4.55 0.00 2.11 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 2.38 2.40 0.00 26 R 8.23 3.90 0.00 2.10 1.90 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 27 P 0.00 4.21 0.00 2.16 2.02 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 28 E 7.56 3.96 0.00 2.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 29 V 8.13 3.63 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 1.03 0.00 0.00 1.01 0.00 0.00 30 T 8.01 3.88 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 1.22 0.00 0.00 31 K 7.98 3.96 0.00 2.13 2.08 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.53 7.81 32 K 7.92 4.07 0.00 1.94 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.62 7.81 33 V 7.67 3.70 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 0.95 0.00 0.00 0.84 0.00 0.00 34 T 7.85 3.92 4.46 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 1.08 0.00 0.00 35 W 8.53 4.08 0.00 3.73 3.23 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 36 A 8.71 4.16 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.74 3.82 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 38 S 7.78 4.09 0.00 3.80 3.73 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 39 L 8.79 4.30 0.00 2.01 1.88 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.39 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 0.00 0.00 0.00 41 D 8.02 4.35 0.00 2.87 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 42 R 8.43 3.47 0.00 1.76 1.91 0.00 3.19 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 43 S 8.05 4.27 0.00 3.85 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 44 E 8.16 3.96 0.00 1.95 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 2.54 2.44 0.00 45 N 7.86 4.53 0.00 3.02 2.78 0.00 0.00 6.97 8.03 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 46 A 8.63 4.07 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 47 D 8.62 4.57 0.00 2.97 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 48 Y 8.32 4.17 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 49 Q 7.93 3.85 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 50 Y 8.42 4.10 0.00 3.08 3.04 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 0.00 0.00 0.00 51 N 8.32 4.24 0.00 2.89 2.84 0.00 0.00 6.72 7.00 0.00 0.00 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 K 7.54 3.78 0.00 1.46 1.77 0.00 1.38 0.00 0.00 1.32 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.36 7.81 53 K 7.81 3.78 0.00 1.80 1.78 0.00 1.68 0.00 0.00 1.54 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.37 7.81 54 R 7.55 4.27 0.00 1.45 1.64 0.00 3.23 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 55 L 7.67 4.08 0.00 1.76 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.88 3.92 0.00 2.00 1.92 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 57 E 8.94 3.94 0.00 2.00 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 2.26 2.53 0.00 58 I 7.96 3.64 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.94 0.00 0.00 59 D 8.28 4.53 0.00 2.81 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 60 R 7.62 3.90 0.00 1.98 1.95 0.00 3.10 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 61 R 7.99 3.96 0.00 1.86 1.93 0.00 3.08 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 62 V 7.86 3.68 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.05 0.00 0.00 63 R 7.87 3.85 0.00 2.07 2.26 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 64 Y 8.05 4.03 0.00 3.03 3.05 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 65 L 8.62 3.95 0.00 2.11 1.69 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.76 3.86 4.43 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 1.16 0.00 0.00 67 K 7.81 3.79 0.00 1.86 2.00 0.00 1.16 0.00 0.00 1.57 0.00 0.00 2.35 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.37 7.81 68 C 8.12 4.07 0.00 2.82 2.85 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 69 M 7.80 3.93 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 70 E 7.62 4.18 0.00 1.95 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 2.39 0.00 71 N 7.87 4.70 0.00 2.68 2.84 0.00 0.00 7.06 7.78 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 72 L 7.75 4.32 0.00 1.81 2.00 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.11 4.56 0.00 1.60 1.68 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.53 7.81 74 I 8.18 4.89 1.76 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.38 0.85 0.00 0.00 75 V 7.90 4.05 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 0.40 0.00 0.00 0.19 0.00 0.00 76 D 8.20 4.71 0.00 2.68 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 77 Y 8.09 4.57 0.00 2.96 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 78 S 7.29 4.66 0.00 3.79 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 79 P 0.00 3.89 0.00 2.03 2.26 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.36 0.00 80 Q 6.44 3.45 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.20 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 81 Q 8.61 4.29 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 82 E 8.48 4.44 0.00 2.05 1.79 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 2.17 2.09 0.00 83 G 9.14 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.53 4.18 0.00 1.71 1.16 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.50 1.13 7.81 85 V 8.69 3.70 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 0.96 0.00 0.00 0.97 0.00 0.00 86 F 5.82 3.19 0.00 3.22 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 87 F 7.82 4.90 0.00 3.01 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 88 G 6.27 3.42 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 0.00 89 A 7.13 3.96 0.78 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 90 W 8.99 4.33 0.00 3.31 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 91 V 8.41 4.81 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 0.79 0.00 0.00 0.87 0.00 0.00 92 E 8.33 4.79 0.00 1.91 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 2.18 2.15 0.00 93 I 8.15 5.44 2.13 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 1.02 0.00 0.00 94 E 9.46 5.15 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 95 N 8.42 4.91 0.00 2.65 2.91 0.00 0.00 7.10 8.37 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 96 D 8.81 4.31 0.00 2.63 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 97 D 7.97 4.48 0.00 2.79 2.70 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 98 G 8.13 4.11 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 0.00 0.00 0.00 99 V 7.75 4.19 2.26 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 1.16 0.00 0.00 1.00 0.00 0.00 100 T 8.49 5.16 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 1.28 0.00 0.00 101 H 8.73 4.95 0.00 3.29 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.78 4.81 0.00 1.91 1.95 0.00 2.98 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 103 F 7.13 4.84 0.00 3.00 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 0.00 104 R 7.89 4.89 0.00 0.67 0.97 0.00 2.22 0.00 0.00 2.55 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.70 0.00 105 I 7.82 4.28 1.72 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 1.39 0.73 0.89 0.00 0.00 106 V 8.67 4.67 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.89 0.00 0.00 107 G 8.79 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.76 4.09 0.00 2.91 2.93 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 0.00 109 D 8.28 4.33 0.00 2.76 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 0.00 110 E 7.69 4.07 0.00 1.94 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 2.23 2.47 0.00 111 I 6.53 4.18 1.83 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 1.53 1.05 0.68 0.00 0.00 112 F 8.14 4.76 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 0.00 113 G 8.63 3.45 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 0.00 114 R 7.88 4.11 0.00 1.94 2.00 0.00 3.01 0.00 0.00 2.94 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 115 K 8.05 4.32 0.00 1.87 1.95 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.71 7.81 116 D 7.73 4.49 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.76 4.83 0.00 2.95 2.93 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 0.00 118 I 7.39 4.58 1.92 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.71 0.00 0.00 119 S 8.84 5.75 0.00 4.03 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 0.00 120 I 8.43 3.87 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 1.05 0.00 0.00 121 D 7.59 4.88 0.00 2.46 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 0.00 122 S 8.20 4.76 0.00 3.80 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 0.00 123 P 0.00 4.11 0.00 2.09 2.11 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 124 M 7.87 3.77 0.00 1.66 1.63 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.79 0.00 125 A 7.48 3.97 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 0.00 126 R 8.22 3.97 0.00 1.93 1.97 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 127 A 7.89 3.98 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 0.00 128 L 8.11 4.12 0.00 1.72 1.81 1.05 1.07 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 0.00 129 L 7.49 3.67 0.00 2.13 1.51 1.08 0.37 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 0.00 130 K 7.57 4.39 0.00 1.66 1.53 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.40 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.29 7.81 131 K 7.75 4.52 0.00 1.68 1.66 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.39 7.81 132 E 8.52 4.06 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 133 V 8.29 3.82 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 0.77 0.00 0.00 0.95 0.00 0.00 134 G 7.72 4.48 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 0.00 135 D 8.25 5.03 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.45 4.61 0.00 1.35 1.18 1.02 0.77 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 0.00 137 A 8.99 4.55 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 V 8.29 4.99 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 0.91 0.00 0.00 0.91 0.00 0.00 139 V 8.94 4.75 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 0.94 0.00 0.00 1.09 0.00 0.00 140 N 8.51 5.66 0.00 2.65 2.74 0.00 0.00 5.91 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 0.00 141 T 9.50 4.34 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 1.28 0.00 0.00 142 P 0.00 3.41 0.00 2.09 1.83 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 143 A 8.26 4.23 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 0.00 144 G 7.88 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 0.00 0.00 0.00 145 E 8.52 5.06 0.00 1.93 1.92 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 2.14 2.23 0.00 146 A 8.88 4.66 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 0.00 147 S 8.14 5.06 0.00 3.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 9.63 5.21 0.00 3.43 3.05 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 0.00 149 Y 8.62 5.31 0.00 2.99 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 0.00 150 V 8.96 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.10 0.00 0.00 151 N 9.55 4.90 0.00 2.74 2.71 0.00 0.00 6.78 6.89 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 0.00 152 A 7.73 4.76 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 0.00 153 I 8.49 4.73 1.97 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.30 1.04 0.00 0.00 154 E 9.16 4.77 0.00 1.99 1.78 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 2.18 2.31 0.00 155 Y 9.00 4.87 0.00 2.79 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 0.00 156 V 8.21 4.06 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 0.48 0.00 0.00 0.90 0.00 0.00