NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2751 8.3049 120.3475 54.6047 34.4821 175.3992 2 E 3.4891 8.2036 113.9533 55.8025 25.1288 173.5924 3 R 4.1630 8.3460 120.1886 54.7586 32.0328 173.7513 4 P 4.4195 0.0000 0.0000 63.0376 31.6946 175.4462 5 E 4.7339 8.1660 118.9989 53.4060 33.9569 174.6363 6 P 4.1415 0.0000 0.0000 65.9005 31.4169 178.6832 7 E 3.9741 8.2123 117.4494 59.3554 29.2648 178.7240 8 L 4.0489 7.6423 118.1906 57.5717 41.5445 179.5495 9 I 3.5263 7.4326 119.3426 64.2940 37.1041 178.4380 10 R 4.0466 7.9481 119.1064 59.4412 29.7421 179.2396 11 Q 4.1371 8.1819 116.3953 59.2416 28.8423 178.2768 12 S 4.4415 8.2219 116.4647 61.0941 63.2318 176.3268 13 W 4.5963 8.9777 132.2256 60.2006 29.1530 177.7967 14 R 3.8584 8.3178 118.7492 59.4429 29.1746 178.3548 15 A 4.2123 7.5626 119.5737 54.7697 18.5218 179.2924 16 V 3.0704 7.1716 115.9159 64.9934 31.4584 177.7392 17 S 3.9682 7.1801 113.1200 60.0984 62.7889 175.2601 18 R 4.0641 7.1946 119.1004 57.2543 30.2262 177.0470 19 S 4.9155 7.3085 109.4892 55.8301 64.7858 175.3532 20 P 4.1003 0.0000 0.0000 66.5089 31.3737 177.2839 21 L 3.9357 7.8460 118.1366 58.4007 41.7634 178.8202 22 E 3.9290 8.0620 117.9020 59.7709 29.4711 178.9182 23 H 4.2602 8.2750 116.0948 58.4883 28.7460 178.0723 24 G 3.7439 8.6053 108.5055 47.9944 0.0000 175.9059 25 T 4.0589 8.3323 112.4681 64.4843 68.8838 176.9291 26 V 3.6392 7.4970 120.9954 65.5953 31.4478 177.7010 27 L 3.9341 7.9316 120.0208 58.4482 41.9519 179.1474 28 F 3.5421 8.3945 117.3363 59.9960 38.8223 177.6076 29 A 4.0825 8.2392 120.7773 55.1886 18.1954 179.6991 30 R 3.5905 7.8119 116.8560 59.1258 29.9973 178.2006 31 L 3.8709 7.7794 121.8351 57.7226 41.4805 179.2295 32 F 4.6593 8.3525 117.5346 60.4631 38.5542 177.6345 33 A 4.0868 7.6954 119.5742 55.0368 18.2094 179.3434 34 L 4.2867 7.9141 116.7724 56.4305 42.9781 177.4804 35 E 4.6829 8.4906 118.6566 53.3131 30.2947 174.0116 36 P 4.4647 0.0000 0.0000 64.7403 31.8904 177.8725 37 D 4.7188 8.0108 115.1035 55.1662 41.2017 177.6323 38 L 4.2974 8.2100 121.0518 57.1073 41.6544 178.6165 39 L 3.7880 7.6186 120.8796 57.8928 41.7367 177.3578 40 P 4.4093 0.0000 0.0000 64.8966 31.3220 177.9066 41 L 4.3247 7.9457 116.8825 55.4629 41.6985 176.8775 42 F 4.3950 7.9439 118.0247 56.1480 38.3191 175.1023 43 Q 4.5163 7.8674 123.9422 52.9118 31.1151 175.0039 44 Y 4.7369 7.8079 120.0801 57.2860 40.9693 175.5300 45 N 4.3496 9.9029 120.3078 54.3983 36.1913 174.9196 46 G 3.8138 8.6307 105.6762 46.6829 0.0000 174.6105 47 R 4.6461 7.8451 117.5589 54.0079 32.6477 178.1528 48 Q 4.3122 8.0022 114.2695 55.0956 32.6215 174.8141 49 F 5.1535 8.1408 117.7553 56.2245 40.4572 176.7060 50 S 4.4149 9.2460 119.9232 60.1026 63.8304 174.4121 51 S 4.5040 7.4680 114.6469 55.4463 66.4729 173.3046 52 P 3.9861 0.0000 0.0000 66.3671 31.3565 178.9816 53 E 4.0612 8.1489 116.5484 61.2305 29.4125 180.2835 54 D 4.4553 7.7624 118.3744 57.2572 41.3852 178.3958 55 S 2.0000 7.2221 114.0587 60.5663 62.1414 175.9647 56 L 4.3030 7.2750 120.5885 55.8280 41.6122 177.9512 57 S 4.6054 7.8372 113.7609 57.3157 63.8101 173.4110 58 S 4.7425 7.3819 118.6051 56.4366 63.4825 172.7545 59 P 4.2598 0.0000 0.0000 65.8179 31.1006 178.5374 60 E 3.6960 7.8903 116.8497 59.1467 29.4228 178.9935 61 F 4.1387 8.2244 120.7323 61.2563 39.5605 177.1909 62 L 3.8165 7.9640 118.6609 57.8289 41.3448 179.2652 63 D 4.3313 8.0124 118.9400 57.4974 40.6895 178.2611 64 H 4.2030 8.0430 118.8790 59.2331 29.7968 177.4140 65 I 3.5039 7.0683 121.2536 64.2543 36.7718 178.6184 66 R 3.9654 7.7398 118.6928 59.1080 29.8037 179.2246 67 K 4.0131 8.1613 118.4242 59.3283 32.0620 179.3556 68 V 3.7194 7.9271 118.5266 66.6495 31.4015 178.1273 69 M 4.4704 8.2316 118.1904 58.4174 31.7706 178.8228 70 L 4.2858 8.3028 119.5528 57.6027 41.7703 179.7079 71 V 3.7110 8.2419 118.5419 66.0972 31.5155 178.1584 72 I 3.6438 7.9649 119.5746 64.3538 36.8038 177.8153 73 D 4.5423 8.6201 119.9072 57.7318 40.7826 179.1307 74 A 3.9527 8.0618 120.5904 55.0009 18.1390 179.5042 75 A 3.8830 7.7408 118.3383 55.2942 18.8821 179.7720 76 V 3.4041 7.9025 117.1199 66.3616 31.3442 178.3257 77 T 3.9483 7.9683 114.6559 65.8894 68.4949 175.2980 78 N 4.9173 7.8790 117.1165 52.9504 39.4730 177.3748 79 V 3.5373 7.2769 116.8124 64.6233 31.7670 177.8026 80 E 4.1582 7.9775 117.3956 58.4180 30.0638 176.7949 81 D 4.6946 7.8550 118.2159 51.6334 41.9358 175.0654 82 L 4.0825 7.9342 124.5091 57.0219 42.5693 177.7420 83 S 4.2519 8.0974 114.1358 61.2531 62.6153 175.8979 84 S 4.3478 7.7971 116.0366 59.8270 62.9940 175.0392 85 L 4.6796 8.0413 122.1718 54.0476 42.2904 177.2203 86 E 3.9028 8.1061 121.3096 59.7794 29.4864 178.8345 87 E 3.9724 8.1361 117.6677 59.4106 29.6368 178.5191 88 Y 4.1267 7.9871 119.0989 60.8006 38.9787 178.0047 89 L 3.6551 8.2873 119.9439 57.4374 41.5386 179.2097 90 A 4.2151 8.5168 122.7512 54.7050 18.3453 179.9443 91 S 4.0241 8.1203 112.5295 61.2397 63.1085 176.4164 92 L 3.9426 7.5505 124.3586 57.6779 41.7221 179.1844 93 G 3.6873 7.8671 106.0249 47.8942 0.0000 176.0078 94 R 3.6701 7.6258 119.1675 58.5267 27.7596 179.0358 95 K 3.9486 7.9306 119.4033 59.4174 32.0127 178.9862 96 H 4.5475 8.0750 116.5029 58.5816 28.7421 177.6920 97 R 3.8046 7.5928 120.4026 59.1229 29.4742 178.1864 98 A 4.1153 7.5389 118.5191 53.6852 18.3211 178.8243 99 V 4.2754 6.8335 108.7085 60.7297 32.2486 176.4987 100 G 3.8956 7.8683 105.9810 45.6134 0.0000 174.2337 101 V 3.9628 7.6626 119.1283 62.0070 32.4593 175.7702 102 K 4.7005 8.4369 125.7023 55.2138 33.6014 177.5262 103 L 3.5848 8.2302 124.1001 58.2263 41.7438 179.5463 104 S 4.1468 7.9784 113.5774 61.5623 62.7356 176.5511 105 S 4.4575 8.0000 119.8742 60.6775 62.4698 176.1323 106 F 4.3350 8.2256 119.8522 59.4664 38.7815 177.2942 107 S 4.4005 8.1787 113.8292 61.1237 62.1556 175.9491 108 T 3.9768 7.7234 112.3304 64.3994 68.7070 176.8499 109 V 3.4895 7.8186 121.3938 65.5169 31.5146 178.0508 110 G 3.1397 7.9682 105.4882 47.9106 0.0000 175.4290 111 E 3.9807 7.9363 121.0548 59.1288 29.1468 179.7677 112 S 4.1333 8.1849 115.2793 61.1087 62.8041 176.4765 113 L 3.7852 8.0370 123.6951 58.0764 41.7216 179.0777 114 L 3.6864 7.7400 118.9758 57.5690 41.4028 178.8960 115 Y 4.0747 7.8033 119.2997 60.8784 38.7499 177.7058 116 M 3.6645 8.0830 119.1382 58.4793 32.2058 178.2037 117 L 3.5930 7.5279 119.1417 57.5620 41.5271 179.3609 118 E 3.6021 7.6225 118.7446 58.9776 29.1030 179.3774 119 K 3.6197 7.4710 117.9512 59.5621 32.1602 178.9876 120 S 4.1721 7.5893 111.7908 60.6490 62.5564 175.2408 121 L 4.4671 8.2182 120.5370 53.2952 42.6828 177.8639 122 G 3.8461 8.8241 108.0487 45.7220 0.0000 174.8036 123 P 4.2344 0.0000 0.0000 65.1952 31.2162 177.1139 124 A 4.1144 7.6543 120.5378 55.0753 18.5203 178.0205 125 F 4.5952 7.9224 119.4110 57.3141 37.6855 175.1221 126 T 4.1827 7.4622 116.7085 59.9322 71.3332 173.5412 127 P 4.1126 0.0000 0.0000 65.7729 31.2812 178.7731 128 A 3.9568 7.8894 118.9147 55.5010 18.2946 179.6909 129 T 3.8125 7.4744 114.3386 66.6802 68.4619 177.0444 130 R 3.6566 7.8149 120.7890 58.9671 30.0494 178.4060 131 A 3.9676 8.1306 120.5255 55.1073 18.4344 179.2820 132 A 3.9008 8.0492 119.2659 55.3865 18.4126 180.0091 133 W 4.0827 8.3541 117.2763 59.9261 29.1328 179.0274 134 S 4.4348 8.5868 115.4041 61.5182 62.2223 176.8043 135 Q 3.9729 8.1573 120.8338 58.8206 28.5190 178.4405 136 L 3.8479 7.9286 121.1799 58.4815 42.1396 178.4278 137 Y 4.2671 8.7527 120.0564 60.4647 38.6125 178.0012 138 G 3.6025 8.3736 106.6600 47.8761 0.0000 175.5561 139 A 3.9275 8.0716 123.3005 54.4837 18.3377 179.9269 140 V 3.3738 7.5006 116.8916 66.2143 31.5989 178.4499 141 V 3.2473 7.3627 118.0093 65.6997 31.2268 177.5858 142 Q 3.8300 8.2064 119.3733 59.2187 28.6265 178.2458 143 A 3.9482 7.9079 121.5638 55.4849 18.4482 179.5104 144 M 4.1020 7.9677 117.0538 58.5813 32.0142 179.0225 145 S 4.0921 8.3108 115.6753 61.8972 62.8400 177.1708 146 R 4.1697 8.1700 119.1678 58.0573 30.0780 178.2078 147 G 4.0386 7.8060 103.4201 43.6794 0.0000 174.5815 148 W 4.3332 7.8274 131.1195 60.4715 30.7307 175.9396 149 D 4.6036 8.0221 114.1581 54.1077 40.8862 176.7651 150 G 3.9153 7.7955 109.9638 45.9546 0.0000 174.7334 151 E 4.1878 8.3434 115.1364 56.1924 30.7858 170.8336 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 4.28 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 E 8.20 3.49 0.00 2.20 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 2.15 2.38 0.00 3 R 8.35 4.16 0.00 1.76 1.83 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 P 0.00 4.42 0.00 2.05 1.93 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 5 E 8.17 4.73 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 6 P 0.00 4.14 0.00 2.11 2.03 0.00 3.57 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 2.07 2.08 0.00 7 E 8.21 3.97 0.00 2.07 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 2.39 2.49 0.00 8 L 7.64 4.05 0.00 1.91 1.72 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.43 3.53 1.78 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.42 0.14 0.00 0.00 10 R 7.95 4.05 0.00 2.03 2.04 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 11 Q 8.18 4.14 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 12 S 8.22 4.44 0.00 4.42 4.50 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 13 W 8.98 4.60 0.00 3.87 3.43 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 14 R 8.32 3.86 0.00 2.04 2.21 0.00 3.19 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 15 A 7.56 4.21 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 16 V 7.17 3.07 1.11 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 0.47 0.00 0.00 0.67 0.00 0.00 17 S 7.18 3.97 0.00 3.73 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 18 R 7.19 4.06 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 19 S 7.31 4.92 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.10 0.00 2.15 2.15 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 21 L 7.85 3.94 0.00 1.73 1.64 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.06 3.93 0.00 1.94 1.89 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 2.37 2.30 0.00 23 H 8.27 4.26 0.00 3.09 3.24 0.00 5.62 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 24 G 8.61 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 25 T 8.33 4.06 4.29 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 1.25 0.00 0.00 26 V 7.50 3.64 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 1.04 0.00 0.00 0.95 0.00 0.00 27 L 7.93 3.93 0.00 1.77 1.83 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.39 3.54 0.00 3.16 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.24 4.08 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 30 R 7.81 3.59 0.00 1.32 1.86 0.00 2.83 0.00 0.00 2.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 31 L 7.78 3.87 0.00 1.48 1.36 0.76 0.56 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 32 F 8.35 4.66 0.00 3.11 2.98 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 33 A 7.70 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.91 4.29 0.00 1.74 1.70 0.83 0.66 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 35 E 8.49 4.68 0.00 1.98 1.88 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 2.23 2.26 0.00 36 P 0.00 4.46 0.00 2.18 2.11 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 37 D 8.01 4.72 0.00 2.70 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 38 L 8.21 4.30 0.00 2.25 2.13 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.62 3.79 0.00 1.01 1.48 0.20 0.71 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 40 P 0.00 4.41 0.00 2.06 2.10 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 41 L 7.95 4.32 0.00 1.48 1.51 0.96 0.57 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 42 F 7.94 4.39 0.00 3.53 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 43 Q 7.87 4.52 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 44 Y 7.81 4.74 0.00 2.97 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 45 N 9.90 4.35 0.00 2.92 2.93 0.00 0.00 7.09 7.65 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 46 G 8.63 3.81 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 0.00 0.00 0.00 47 R 7.85 4.65 0.00 1.71 1.78 0.00 3.21 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 48 Q 8.00 4.31 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 49 F 8.14 5.15 0.00 2.94 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 50 S 9.25 4.41 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.47 4.50 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 3.99 0.00 2.07 2.37 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 53 E 8.15 4.06 0.00 1.97 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 2.32 1.95 0.00 54 D 7.76 4.46 0.00 2.76 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 55 S 7.22 2.00 0.00 2.72 2.67 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 56 L 7.28 4.30 0.00 1.75 1.74 0.93 1.05 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 57 S 7.84 4.61 0.00 4.01 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 58 S 7.38 4.74 0.00 4.40 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 59 P 0.00 4.26 0.00 2.16 2.07 0.00 3.67 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 60 E 7.89 3.70 0.00 1.16 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 2.14 2.23 0.00 61 F 8.22 4.14 0.00 3.26 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 62 L 7.96 3.82 0.00 1.86 1.63 0.91 1.09 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 63 D 8.01 4.33 0.00 2.87 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 64 H 8.04 4.20 0.00 3.36 3.23 0.00 5.59 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 65 I 7.07 3.50 1.77 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.36 0.87 0.00 0.00 66 R 7.74 3.97 0.00 2.06 1.99 0.00 3.27 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 1.86 0.00 67 K 8.16 4.01 0.00 1.98 1.95 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.70 7.81 68 V 7.93 3.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.21 0.00 0.00 69 M 8.23 4.47 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.07 0.00 70 L 8.30 4.29 0.00 1.95 1.79 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.24 3.71 2.37 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 1.19 0.00 0.00 1.18 0.00 0.00 72 I 7.96 3.64 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.64 -0.05 0.00 0.00 73 D 8.62 4.54 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.06 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 75 A 7.74 3.88 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 76 V 7.90 3.40 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 1.00 0.00 0.00 0.25 0.00 0.00 77 T 7.97 3.95 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 78 N 7.88 4.92 0.00 2.78 2.76 0.00 0.00 6.97 7.05 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 79 V 7.28 3.54 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 0.52 0.00 0.00 0.92 0.00 0.00 80 E 7.98 4.16 0.00 1.93 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 2.26 2.20 0.00 81 D 7.86 4.69 0.00 2.69 2.45 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 82 L 7.93 4.08 0.00 1.74 1.61 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.10 4.25 0.00 4.07 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 84 S 7.80 4.35 0.00 4.02 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 85 L 8.04 4.68 0.00 1.84 1.79 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.11 3.90 0.00 2.10 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 2.31 2.37 0.00 87 E 8.14 3.97 0.00 2.14 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 2.41 2.43 0.00 88 Y 7.99 4.13 0.00 3.07 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 89 L 8.29 3.66 0.00 1.80 1.59 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 4.22 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 91 S 8.12 4.02 0.00 4.02 4.22 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 92 L 7.55 3.94 0.00 1.53 1.63 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.87 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 94 R 7.63 3.67 0.00 1.80 2.24 0.00 2.64 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 95 K 7.93 3.95 0.00 1.92 1.81 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.65 7.81 96 H 8.07 4.55 0.00 3.70 3.74 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.59 3.80 0.00 0.67 1.24 0.00 2.99 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.00 98 A 7.54 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 6.83 4.28 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 0.71 0.00 0.00 0.90 0.00 0.00 100 G 7.87 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 0.00 101 V 7.66 3.96 2.50 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 0.75 0.00 0.00 1.04 0.00 0.00 102 K 8.44 4.70 0.00 1.89 1.73 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.49 7.81 103 L 8.23 3.58 0.00 0.27 1.12 0.33 0.37 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 0.00 104 S 7.98 4.15 0.00 4.06 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 0.00 105 S 8.00 4.46 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.23 4.34 0.00 3.26 3.16 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 0.00 107 S 8.18 4.40 0.00 3.97 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 0.00 108 T 7.72 3.98 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 1.34 0.00 0.00 109 V 7.82 3.49 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 1.11 0.00 0.00 0.77 0.00 0.00 110 G 7.97 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 0.00 0.00 0.00 111 E 7.94 3.98 0.00 2.17 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 2.51 0.00 112 S 8.18 4.13 0.00 3.76 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 0.00 113 L 8.04 3.79 0.00 1.43 1.50 0.70 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.74 3.69 0.00 1.72 1.71 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.80 4.07 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.08 3.66 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 117 L 7.53 3.59 0.00 0.82 0.55 -0.47 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.62 3.60 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.08 0.00 119 K 7.47 3.62 0.00 1.50 1.58 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.54 0.43 7.81 120 S 7.59 4.17 0.00 3.89 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 0.00 121 L 8.22 4.47 0.00 1.83 1.76 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.82 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 0.00 123 P 0.00 4.23 0.00 2.07 2.16 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 124 A 7.65 4.11 1.39 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 0.00 125 F 7.92 4.60 0.00 2.92 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 0.00 126 T 7.46 4.18 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 1.31 0.00 0.00 127 P 0.00 4.11 0.00 2.31 2.11 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 128 A 7.89 3.96 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 0.00 129 T 7.47 3.81 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 1.41 0.00 0.00 130 R 7.81 3.66 0.00 1.26 1.91 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 131 A 8.13 3.97 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 0.00 132 A 8.05 3.90 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 0.00 133 W 8.35 4.08 0.00 3.61 3.40 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 0.00 134 S 8.59 4.43 0.00 4.07 4.01 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 0.00 135 Q 8.16 3.97 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 136 L 7.93 3.85 0.00 1.51 1.50 0.78 0.14 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 0.00 137 Y 8.75 4.27 0.00 3.29 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 0.00 138 G 8.37 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.93 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 0.00 140 V 7.50 3.37 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 0.81 0.00 0.00 0.90 0.00 0.00 141 V 7.36 3.25 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 0.86 0.00 0.00 0.30 0.00 0.00 142 Q 8.21 3.83 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 143 A 7.91 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 7.97 4.10 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 145 S 8.31 4.09 0.00 3.92 3.83 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 0.00 146 R 8.17 4.17 0.00 1.94 2.00 0.00 3.11 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 147 G 7.81 4.04 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 0.00 0.00 0.00 148 W 7.83 4.33 0.00 3.58 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 0.00 149 D 8.02 4.60 0.00 2.80 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 0.00 150 G 7.80 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 0.00 0.00 0.00 151 E 8.34 4.19 0.00 1.93 1.64 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 2.12 1.86 0.00