NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9581 8.3549 109.7377 45.5473 0.0000 172.7115 2 L 4.2801 8.1658 119.1735 51.4262 43.1083 175.5615 3 S 4.4861 9.5739 119.0223 57.9065 66.1114 174.9823 4 D 4.6485 8.7582 122.0321 57.6196 40.5645 179.2906 5 G 3.6821 8.1306 105.6091 47.9349 0.0000 175.4119 6 E 3.9323 8.2543 121.1089 58.9183 29.3846 179.4476 7 W 4.3640 8.2809 119.1952 59.8645 29.0872 178.3269 8 Q 4.0594 8.5095 119.6103 59.2715 28.4007 178.3568 9 Q 4.0417 8.2482 119.1113 58.8816 28.6990 178.8065 10 V 3.6942 8.1371 119.5004 66.3189 31.4155 178.1741 11 L 4.1967 8.1811 117.0092 57.2835 41.5924 178.7839 12 N 4.5037 8.3508 117.6489 56.6504 38.9132 176.9838 13 V 3.5987 8.2015 120.0333 65.9049 31.5468 177.7924 14 W 4.1624 8.6657 128.1893 60.1991 30.3176 178.0253 15 G 3.6276 7.9545 105.7273 47.5412 0.0000 175.8600 16 K 3.8528 7.6987 120.0553 59.2901 32.3302 179.2050 17 V 2.7982 6.9041 117.8714 65.7299 31.1006 177.7792 18 E 3.8521 7.6068 116.6408 58.7784 29.2750 178.7927 19 A 4.2025 7.3460 120.2884 53.8625 19.8507 177.6272 20 D 4.6899 7.7134 116.5687 52.1602 42.5082 175.4187 21 I 3.6298 7.8469 124.5405 63.9156 37.5754 177.5901 22 A 4.1381 7.3918 122.5810 54.5277 18.3350 179.7943 23 G 3.6447 8.3122 105.5664 47.7710 0.0000 175.6906 24 H 4.1440 8.3218 119.0969 58.3549 28.6897 178.2168 25 G 3.5135 8.3561 107.8939 47.6535 0.0000 175.4282 26 Q 3.8613 8.3190 122.5808 59.1192 29.0189 178.4566 27 E 3.8658 8.1310 119.4362 59.1308 29.3763 179.5732 28 V 3.5096 7.9533 118.5971 66.0467 31.5847 178.1663 29 L 3.4294 7.7561 118.6447 57.5961 41.2487 179.6038 30 I 3.6388 7.7900 120.1045 64.1744 37.0030 178.4622 31 R 3.7876 8.1525 119.9446 59.1239 29.9266 178.2937 32 L 3.9432 7.8129 120.1139 58.3922 41.9563 179.1027 33 F 4.6081 8.1677 118.3621 60.7269 38.6001 177.8609 34 T 4.0873 8.1555 109.1076 64.5561 68.8858 176.9527 35 G 3.5973 7.9681 107.7230 46.4188 0.0000 173.6901 36 H 4.7424 8.0419 117.4754 51.9611 29.8759 171.8608 37 P 4.7543 0.0000 0.0000 64.5823 31.3898 177.5884 38 E 4.1287 8.2557 116.1253 59.3565 29.3927 179.1347 39 T 3.8183 8.2946 111.5862 64.4806 68.7542 176.2990 40 L 3.5562 7.9120 122.8485 57.9081 41.7896 178.6256 41 E 4.0862 7.8089 117.0191 58.4422 29.4734 178.6357 42 K 4.4729 8.0467 117.5536 56.9017 32.7777 177.3824 43 F 4.5917 8.2241 119.2958 55.4147 39.2583 175.5397 44 D 4.3562 8.5348 125.1718 56.9550 40.9203 178.7395 45 K 4.0592 7.8082 115.2380 57.5213 33.1538 176.9538 46 F 5.0922 8.0796 117.5640 57.0795 40.5719 177.0556 47 K 3.9062 7.6252 120.4317 59.4387 31.8984 177.7392 48 H 4.3516 8.0908 112.2912 56.8338 28.9539 175.2896 49 L 4.1955 7.5001 120.7501 54.7915 40.4476 176.7077 50 K 4.3550 8.8490 123.8746 57.0388 33.1353 177.5930 51 T 4.7276 7.2495 108.5402 58.8980 73.2180 174.1216 52 E 3.9188 8.7147 121.7181 59.2209 29.6896 178.7484 53 A 3.9877 7.9780 120.4986 55.3149 18.2405 179.2830 54 E 3.9449 8.0296 115.7373 59.7024 29.9282 179.1519 55 M 4.1500 8.0016 118.6741 58.5120 31.8522 179.0409 56 K 3.9698 8.3339 117.3078 59.0604 32.3056 178.5320 57 A 4.4425 7.8356 118.5254 51.7970 18.9260 177.1356 58 S 4.3509 7.5254 113.5727 57.4255 62.5911 174.6971 59 E 4.0620 8.8337 128.7281 59.4077 29.1952 178.7030 60 D 4.4250 8.1582 117.8753 57.0315 41.2930 177.8605 61 L 3.7542 8.2526 121.1787 57.8505 42.0151 179.0768 62 K 3.9031 7.8710 118.3025 59.2302 31.9970 179.0492 63 K 3.9128 8.2999 120.0344 60.0455 32.0810 178.3048 64 H 4.4287 8.8839 118.8522 59.0897 29.7154 177.3139 65 G 3.6439 8.3775 108.0401 48.1766 0.0000 175.7740 66 T 3.8836 8.0918 118.1615 66.2542 68.4614 176.9508 67 V 3.7018 7.7604 120.2064 65.9046 31.5161 178.2577 68 V 3.6053 8.0721 118.2553 66.2535 31.4791 178.1367 69 L 4.2280 8.2090 118.6978 57.8969 41.4326 179.6513 70 T 4.0300 8.3195 115.9809 66.4780 68.3589 176.5260 71 A 4.0005 8.1337 122.6976 55.1169 18.4279 179.4233 72 L 3.7175 8.2056 119.1657 58.1211 42.1147 179.3871 73 G 3.1368 8.6577 106.2466 47.4841 0.0000 175.8718 74 G 3.5994 7.8861 107.1336 47.5048 0.0000 175.6304 75 I 3.8366 7.5904 122.1331 64.2059 37.0907 178.5167 76 L 3.9502 7.8650 120.1532 57.6877 41.1668 179.6260 77 K 3.8830 7.6702 116.8544 58.3714 32.2413 178.6145 78 K 3.9715 7.8425 118.1203 55.8125 32.5549 176.5829 79 K 2.0000 8.4104 118.5022 56.3250 29.8445 175.6488 80 G 3.9396 7.8565 106.2344 45.7400 0.0000 174.1065 81 H 4.5700 7.2891 119.1460 55.1839 27.4019 174.7880 82 H 5.5302 7.2783 110.9019 54.0830 29.8209 176.0325 83 E 3.9246 8.6259 122.3067 60.2846 29.0537 178.6010 84 A 3.9901 7.9240 118.5842 55.1587 18.8159 178.9183 85 E 4.1150 8.1024 116.6733 59.0011 29.6906 178.8024 86 L 4.0323 8.4105 120.7172 57.3866 42.2341 178.3549 87 K 3.8357 8.2520 120.2027 59.2525 32.0204 176.8276 88 P 4.2310 0.0000 0.0000 65.7522 31.0550 178.0770 89 L 3.9876 7.4865 117.3870 57.8950 42.0956 178.7023 90 A 4.0495 8.3295 121.1420 55.4646 18.2319 179.7108 91 Q 3.9585 8.4636 117.0557 58.9580 28.7123 179.0078 92 S 4.0082 8.4729 115.8135 61.7894 63.0892 176.3433 93 H 4.1209 8.6572 119.6452 58.0434 27.8862 177.7565 94 A 2.5800 7.8485 122.7034 54.8147 18.0690 179.6830 95 T 3.7451 7.5052 112.7064 65.5162 68.8520 176.8644 96 K 4.0473 7.4580 119.6180 59.1351 32.8942 177.7823 97 H 4.4215 7.8861 113.9412 55.2297 29.7700 175.2116 98 K 3.7073 7.5682 117.9272 56.4194 29.0196 176.5467 99 I 4.3477 8.0132 119.6853 59.0188 37.7803 175.0034 100 P 4.5627 0.0000 0.0000 62.2296 32.0087 177.6915 101 I 3.6135 8.5848 120.6606 64.0514 37.7020 177.9669 102 K 3.5929 7.9836 120.1765 59.8968 31.8439 178.0815 103 Y 4.2423 7.9631 116.6917 60.8184 37.7573 178.2547 104 L 4.2002 7.8490 119.8655 57.4195 41.7400 178.8287 105 E 3.9646 8.1083 119.4802 59.3127 29.5589 178.7658 106 F 4.5312 8.0030 117.9055 60.9418 38.9873 177.5875 107 I 3.8620 8.2101 118.0306 63.8179 37.7503 178.1015 108 S 4.2185 8.3745 116.3418 61.8298 62.7203 176.3480 109 D 4.4774 8.4824 121.3378 57.3485 40.4592 178.7341 110 A 4.0694 8.3130 121.4510 55.1746 18.3395 179.7402 111 I 3.6774 8.0479 118.3784 64.6067 37.2867 178.7115 112 I 3.8696 7.7319 120.2131 64.6140 36.8910 177.9273 113 H 4.1987 8.4838 119.1087 59.4377 29.6709 177.5284 114 V 3.4977 8.1919 120.3541 65.7913 31.2897 177.9462 115 L 3.8080 7.9511 118.8555 58.1222 41.1279 179.2683 116 H 4.3872 8.1491 115.9012 58.8834 28.3899 177.8944 117 S 4.1314 7.9395 114.4447 61.0525 62.3172 175.8204 118 K 4.1084 8.1637 119.9826 57.5961 33.1527 176.6301 119 H 4.9598 8.0511 116.3976 53.8253 29.4527 171.9573 120 P 4.6119 0.0000 0.0000 63.6465 31.9124 177.4216 121 G 3.9951 9.1854 110.6001 45.6412 0.0000 172.9733 122 D 4.9521 8.4699 118.0532 53.6739 41.6458 175.8593 123 F 4.9830 8.0627 120.2766 55.0241 39.5038 174.9708 124 G 3.8335 8.1014 112.9727 43.2935 0.0000 170.9307 125 A 3.9185 8.3350 121.7886 54.9689 18.2610 179.5987 126 D 4.1991 7.9886 116.9693 56.5961 39.3937 178.5786 127 A 3.9657 7.7834 121.8686 54.7460 18.4062 179.1540 128 Q 3.5397 7.9981 118.5715 58.9504 29.0112 178.6795 129 G 3.5535 8.1208 106.5987 47.7813 0.0000 175.5294 130 A 3.8516 8.0736 123.7544 54.9406 18.3576 179.3599 131 M 4.0364 8.3873 117.0895 59.0605 32.2416 178.4812 132 T 3.8949 8.2711 116.1773 66.6902 68.6143 176.6048 133 K 4.0277 8.1348 120.0731 59.4675 32.0381 179.2866 134 A 3.8492 7.8399 120.9205 55.1366 18.2227 179.7605 135 L 4.0986 8.2840 117.8062 57.8438 41.6319 179.5668 136 E 3.9893 8.6599 119.1968 59.1878 29.2955 179.0945 137 L 3.9704 8.1846 120.5122 58.0263 42.2231 178.6013 138 F 4.1432 8.3943 120.5861 61.5782 39.2801 177.1258 139 R 3.5350 8.3472 118.3766 59.2871 29.8457 177.9862 140 N 4.2894 8.5661 117.3872 56.6164 38.8042 176.7463 141 D 4.3548 8.3534 120.7230 57.1505 40.8432 178.7460 142 I 3.4276 7.5032 120.1836 64.2091 36.9400 178.1970 143 A 3.7943 7.9960 121.7167 55.0509 18.1192 179.5470 144 A 3.9329 7.9498 119.2398 55.3092 18.5288 180.0727 145 K 4.0236 7.8855 117.0061 59.6776 32.0272 179.1709 146 Y 4.2992 8.5204 117.5972 61.1291 37.8321 178.6819 147 K 3.9782 8.5156 120.7240 59.4511 32.0651 178.3852 148 E 3.9872 8.0337 117.9643 59.6827 29.6056 179.0502 149 L 4.2995 7.8725 115.7030 54.7417 41.8656 177.6389 150 G 3.8811 7.8426 106.7627 46.1880 0.0000 173.1560 151 F 4.4973 8.2890 121.9771 57.1558 40.1964 174.5406 152 Q 4.0520 7.3322 125.1536 56.5420 30.8899 175.7589 153 G 3.3339 6.6077 109.0909 46.0489 0.0000 172.9469 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 G 8.35 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 2 L 8.17 4.28 0.00 0.47 0.63 0.49 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.57 4.49 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.76 4.65 0.00 2.77 2.84 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 0.00 0.00 0.00 5 G 8.13 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 6 E 8.25 3.93 0.00 2.01 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 2.22 2.27 0.00 7 W 8.28 4.36 0.00 3.51 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 8 Q 8.51 4.06 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.25 4.04 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 10 V 8.14 3.69 2.49 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 1.26 0.00 0.00 0.88 0.00 0.00 11 L 8.18 4.20 0.00 1.75 1.81 0.92 1.25 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 12 N 8.35 4.50 0.00 3.02 3.03 0.00 0.00 6.66 7.33 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 13 V 8.20 3.60 2.39 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 0.93 0.00 0.00 1.22 0.00 0.00 14 W 8.67 4.16 0.00 3.61 3.25 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 0.00 15 G 7.95 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.70 3.85 0.00 1.57 1.50 0.00 1.49 0.00 0.00 1.03 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.29 7.81 17 V 6.90 2.80 0.67 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 0.01 0.00 0.00 0.14 0.00 0.00 18 E 7.61 3.85 0.00 1.86 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 2.23 2.24 0.00 19 A 7.35 4.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.71 4.69 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.85 3.63 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 0.89 0.00 0.00 22 A 7.39 4.14 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 23 G 8.31 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 24 H 8.32 4.14 0.00 3.08 3.22 0.00 5.82 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 25 G 8.36 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.32 3.86 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.13 3.87 0.00 1.96 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 2.25 2.40 0.00 28 V 7.95 3.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 29 L 7.76 3.43 0.00 1.48 0.81 0.80 0.41 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 30 I 7.79 3.64 1.83 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 1.36 0.64 0.87 0.00 0.00 31 R 8.15 3.79 0.00 1.94 2.10 0.00 3.04 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 32 L 7.81 3.94 0.00 1.77 1.43 1.07 0.92 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 33 F 8.17 4.61 0.00 2.98 2.86 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 34 T 8.16 4.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 35 G 7.97 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 36 H 8.04 4.74 0.00 3.07 2.97 0.00 5.64 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 37 P 0.00 4.75 0.00 2.15 2.11 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.26 4.13 0.00 2.30 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 2.27 2.60 0.00 39 T 8.29 3.82 4.44 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 0.00 0.00 0.00 0.75 0.00 0.00 40 L 7.91 3.56 0.00 1.53 1.70 -0.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.09 0.00 2.19 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 0.00 2.38 2.54 0.00 42 K 8.05 4.47 0.00 1.96 1.77 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.77 2.00 7.81 43 F 8.22 4.59 0.00 3.29 2.94 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 44 D 8.53 4.36 0.00 2.67 2.71 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 45 K 7.81 4.06 0.00 1.59 1.72 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.84 0.21 7.81 46 F 8.08 5.09 0.00 2.81 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 47 K 7.63 3.91 0.00 1.60 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.65 7.81 48 H 8.09 4.35 0.00 3.29 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.50 4.20 0.00 1.64 1.60 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.85 4.35 0.00 1.75 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.51 7.81 51 T 7.25 4.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.71 3.92 0.00 2.04 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 2.35 2.36 0.00 53 A 7.98 3.99 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 54 E 8.03 3.94 0.00 2.13 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 2.35 2.35 0.00 55 M 8.00 4.15 0.00 2.05 2.25 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 2.81 2.55 0.00 56 K 8.33 3.97 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.58 7.81 57 A 7.84 4.44 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 58 S 7.53 4.35 0.00 4.04 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 59 E 8.83 4.06 0.00 2.06 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 0.00 2.42 2.33 0.00 60 D 8.16 4.42 0.00 2.90 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 61 L 8.25 3.75 0.00 1.40 1.66 0.70 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.87 3.90 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 K 8.30 3.91 0.00 1.97 2.14 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.88 4.43 0.00 3.61 3.56 0.00 5.84 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 65 G 8.38 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 66 T 8.09 3.88 4.44 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 0.00 0.00 0.00 1.23 0.00 0.00 67 V 7.76 3.70 2.24 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 1.06 0.00 0.00 1.00 0.00 0.00 68 V 8.07 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.95 0.00 0.00 69 L 8.21 4.23 0.00 1.77 1.83 0.81 0.79 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 70 T 8.32 4.03 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 1.26 0.00 0.00 71 A 8.13 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.21 3.72 0.00 1.57 1.79 -0.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.66 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 74 G 7.89 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 75 I 7.59 3.84 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.93 0.00 0.00 76 L 7.86 3.95 0.00 1.18 1.51 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 3.88 0.00 1.62 1.78 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.51 7.81 78 K 7.84 3.97 0.00 1.88 1.79 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.85 7.81 79 K 8.41 2.00 0.00 1.18 0.74 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.52 0.76 7.81 80 G 7.86 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 81 H 7.29 4.57 0.00 3.16 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.28 5.53 0.00 3.26 3.42 0.00 5.66 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 83 E 8.63 3.92 0.00 2.12 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 2.39 2.47 0.00 84 A 7.92 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.10 4.11 0.00 2.24 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 2.39 2.42 0.00 86 L 8.41 4.03 0.00 1.69 1.72 0.76 0.38 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 87 K 8.25 3.84 0.00 2.05 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.23 0.00 2.33 2.31 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 89 L 7.49 3.99 0.00 1.91 1.90 1.03 1.11 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 90 A 8.33 4.05 1.37 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 0.00 0.00 0.00 91 Q 8.46 3.96 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 92 S 8.47 4.01 0.00 3.93 4.12 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 93 H 8.66 4.12 0.00 3.50 3.57 0.00 5.81 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 94 A 7.85 2.58 0.36 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 95 T 7.51 3.75 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 1.11 0.00 0.00 96 K 7.46 4.05 0.00 1.56 1.57 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.41 7.81 97 H 7.89 4.42 0.00 3.14 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.57 3.71 0.00 1.95 2.00 0.00 1.85 0.00 0.00 2.02 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.36 7.81 99 I 8.01 4.35 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 1.21 0.00 0.00 100 P 0.00 4.56 0.00 1.71 1.80 0.00 2.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.70 0.00 101 I 8.58 3.61 1.89 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.88 0.00 0.00 102 K 7.98 3.59 0.00 1.72 1.56 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 0.53 7.81 103 Y 7.96 4.24 0.00 3.17 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 0.00 104 L 7.85 4.20 0.00 1.84 1.72 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.11 3.96 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 106 F 8.00 4.53 0.00 3.28 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 0.00 107 I 8.21 3.86 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 1.12 0.00 0.00 108 S 8.37 4.22 0.00 4.19 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 0.00 109 D 8.48 4.48 0.00 2.99 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 0.00 110 A 8.31 4.07 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 0.00 111 I 8.05 3.68 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.99 0.00 0.00 112 I 7.73 3.87 2.15 0.00 0.00 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 1.71 1.51 1.15 0.00 0.00 113 H 8.48 4.20 0.00 3.31 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.19 3.50 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 0.96 0.00 0.00 1.02 0.00 0.00 115 L 7.95 3.81 0.00 1.17 0.44 0.46 0.60 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 0.00 116 H 8.15 4.39 0.00 3.42 3.38 0.00 5.62 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 0.00 117 S 7.94 4.13 0.00 3.70 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 0.00 118 K 8.16 4.11 0.00 1.55 1.47 0.00 1.53 0.00 0.00 1.25 0.00 0.00 2.49 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.26 1.43 7.81 119 H 8.05 4.96 0.00 3.24 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.61 0.00 2.19 2.15 0.00 3.47 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.19 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 0.00 0.00 0.00 122 D 8.47 4.95 0.00 2.61 2.77 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 0.00 123 F 8.06 4.98 0.00 2.77 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 0.00 124 G 8.10 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 0.00 0.00 0.00 125 A 8.34 3.92 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 0.00 126 D 7.99 4.20 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.78 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 0.00 128 Q 8.00 3.54 0.00 1.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 129 G 8.12 3.55 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 0.00 130 A 8.07 3.85 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 M 8.39 4.04 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.80 0.00 132 T 8.27 3.89 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 1.23 0.00 0.00 133 K 8.13 4.03 0.00 1.79 1.66 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 7.84 3.85 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 0.00 135 L 8.28 4.10 0.00 1.88 1.83 1.05 1.18 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 0.00 136 E 8.66 3.99 0.00 2.14 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 2.35 2.48 0.00 137 L 8.18 3.97 0.00 1.88 1.98 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.14 0.00 3.11 3.30 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 0.00 139 R 8.35 3.54 0.00 2.06 2.05 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 140 N 8.57 4.29 0.00 2.85 2.77 0.00 0.00 7.22 8.13 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 0.00 141 D 8.35 4.35 0.00 2.76 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 0.00 142 I 7.50 3.43 1.47 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 1.05 0.11 0.14 0.00 0.00 143 A 8.00 3.79 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 0.00 144 A 7.95 3.93 1.37 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 0.00 0.00 0.00 145 K 7.89 4.02 0.00 1.94 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.62 7.81 146 Y 8.52 4.30 0.00 3.15 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 0.00 147 K 8.52 3.98 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 8.03 3.99 0.00 2.25 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 2.37 2.65 0.00 149 L 7.87 4.30 0.00 1.81 1.70 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.84 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 0.00 0.00 0.00 151 F 8.29 4.50 0.00 2.73 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 0.00 152 Q 7.33 4.05 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 153 G 6.61 3.33 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 0.00