NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2175 8.3049 118.1935 53.5800 32.8009 174.5912 2 L 3.2466 8.0421 116.5792 54.3873 38.7088 172.7367 3 T 3.9869 8.5392 115.2568 63.8174 70.2124 174.5636 4 D 4.4217 7.6861 121.6989 50.9592 42.7584 172.9984 5 P 4.3127 0.0000 0.0000 66.5046 31.3206 177.9425 6 I 3.4887 8.1496 116.0083 64.9515 35.4976 177.9396 7 A 3.8873 8.9852 121.1315 55.5319 18.4281 179.1570 8 D 4.0523 8.2450 116.4559 57.5436 41.5219 177.7818 9 M 3.8471 7.9362 118.6739 59.0953 32.2234 178.4868 10 L 3.9416 7.3411 117.0280 57.7420 41.5376 179.8476 11 T 3.7909 8.5017 116.5905 66.6757 68.6554 176.9131 12 R 3.6463 8.0261 119.3848 59.5986 29.9858 179.0688 13 I 3.6728 7.6136 119.0105 64.3576 35.9467 178.4877 14 R 3.8119 7.8421 119.5195 59.3235 29.6224 178.1773 15 N 4.5063 8.8097 116.4669 55.2663 38.8474 177.0128 16 A 4.2102 7.8601 122.4460 55.0751 19.2044 179.4594 17 T 4.1299 7.7274 108.2178 65.1534 68.1438 176.1561 18 R 3.8607 7.1879 116.9037 57.7304 30.2511 177.9784 19 V 4.0380 7.8220 109.9298 59.6281 33.4656 175.2425 20 Y 3.8636 6.6406 114.5366 58.7718 35.2247 169.6821 21 K 4.4164 7.8115 119.0701 54.5118 34.2184 174.7363 22 E 4.1154 8.7442 128.0515 59.1024 29.8811 176.5354 23 S 5.4719 7.5440 110.1084 55.9914 66.2962 171.7982 24 T 4.3313 7.8143 112.5435 61.7737 70.2852 172.4978 25 D 5.7875 8.5968 127.0662 53.9517 43.7772 175.6672 26 V 4.6352 8.0207 120.0781 61.4151 33.1437 169.3697 27 P 4.0680 0.0000 0.0000 62.8628 31.7682 176.0606 28 A 4.2757 8.5508 125.7321 51.3765 20.0315 177.0546 29 S 4.6289 8.3547 110.5037 56.7236 65.3447 177.5193 30 R 3.9466 8.4616 128.4571 60.0025 29.6317 177.8922 31 F 4.2342 8.2106 119.6715 60.9966 39.4970 177.1293 32 K 3.7536 8.4438 118.6185 59.4031 31.1723 179.0549 33 E 3.4531 7.9797 118.1110 59.3331 29.2170 178.7926 34 E 4.1005 7.6992 117.1458 60.0092 29.8659 179.3891 35 I 3.5807 7.1924 118.7381 64.1033 37.1096 178.0654 36 L 3.8412 7.7514 119.3857 58.1984 41.4270 179.7583 37 R 4.3270 9.2407 117.7552 58.6933 28.8635 177.3447 38 I 4.2912 8.1448 118.1114 62.4737 38.3587 177.5124 39 L 4.4420 8.5113 120.2410 57.0558 41.3190 179.0733 40 A 4.2291 7.9567 120.5452 54.9039 18.7321 179.2430 41 R 4.1431 7.4213 111.9678 57.7564 30.1166 176.4853 42 E 4.5042 7.3031 111.2551 54.9154 31.9700 175.2405 43 G 3.7264 8.8247 107.5568 46.8291 0.0000 174.4741 44 F 4.6878 8.9755 118.1556 57.4800 39.9612 176.6075 45 I 4.9281 7.3020 112.4887 58.8105 40.4597 176.1780 46 K 4.1071 8.7859 121.2708 57.8752 32.3273 177.8638 47 G 4.2598 6.1296 102.5716 44.2666 0.0000 170.2439 48 Y 6.0085 7.6324 117.7253 55.0812 41.9697 174.2685 49 E 4.6141 8.7978 112.9464 55.2271 32.6262 174.5263 50 R 3.9778 9.2213 123.2262 57.6192 30.4963 175.7345 51 V 4.7400 7.9440 121.5036 60.7227 35.0582 174.6042 52 D 4.8395 8.5036 118.4364 54.5897 43.7207 176.8871 53 V 4.1709 8.4428 124.9260 62.6187 32.5425 173.7196 54 D 4.3963 8.9799 130.3587 55.2754 37.4128 176.2557 55 G 4.0804 8.6626 110.1150 45.8076 0.0000 174.4951 56 K 4.0118 8.1352 120.2520 55.3851 31.9886 174.3983 57 P 4.8462 0.0000 0.0000 63.1613 32.2855 175.1759 58 Y 4.8227 8.3253 123.6854 56.0520 41.9154 174.2376 59 L 4.9380 8.9435 119.2900 53.3513 45.5020 176.3384 60 R 4.2761 8.7651 125.4673 55.8863 31.7055 175.2586 61 V 4.1125 8.7875 126.9310 61.3083 33.7225 174.1561 62 Y 4.5448 8.6066 127.3667 56.9906 37.9230 175.2723 63 L 4.5447 8.8353 124.8951 54.5420 42.6375 176.6136 64 K 4.7817 8.5486 123.4145 55.4229 33.9306 174.9675 65 Y 4.8833 8.7759 124.2016 56.4991 41.3177 174.6493 66 G 4.2939 8.1449 107.6662 44.6497 0.0000 172.1659 67 P 4.6051 0.0000 0.0000 62.0129 32.1220 176.1682 68 R 3.9848 8.5761 122.7893 56.9194 30.8421 174.8948 69 R 4.7341 8.1462 120.1424 54.5791 34.1716 174.9155 70 Q 4.4349 8.3477 117.7711 55.2913 30.6124 175.7162 71 G 3.7966 8.4836 105.2103 43.7119 0.0000 171.5659 72 P 4.3024 0.0000 0.0000 62.9665 32.2426 176.0630 73 D 4.2901 8.6319 115.5013 55.0312 38.8770 172.5658 74 P 4.7213 0.0000 0.0000 63.1132 31.4068 176.9828 75 R 3.9941 8.0067 118.9708 56.1085 30.2115 175.1308 76 P 4.4026 0.0000 0.0000 62.6767 32.6565 175.5388 77 E 4.4567 8.7027 122.2352 56.2937 31.5105 174.6523 78 Q 5.0972 8.3398 119.4833 53.8995 31.8088 176.4439 79 V 3.8175 8.3903 119.5607 64.6772 31.8606 175.8529 80 I 4.5147 7.2370 119.8586 59.5978 37.0178 174.5931 81 H 4.3890 8.6077 122.1501 58.0412 29.5120 175.5124 82 H 4.2306 7.5482 118.2289 54.9102 33.4702 172.6757 83 I 4.5117 7.7598 125.6022 59.3876 39.6044 172.9694 84 R 4.5084 7.9987 128.7649 53.8114 32.9542 174.4218 85 R 3.8565 8.5263 126.7190 57.2346 30.3608 174.4348 86 I 3.7889 8.9384 128.4700 62.3088 37.5916 175.4695 87 S 3.9305 7.0492 126.8196 59.2329 62.7426 174.2102 88 K 4.5295 8.1247 127.8716 53.8711 33.6674 176.4150 89 P 4.3048 0.0000 0.0000 65.1137 31.2437 177.4646 90 G 3.8376 7.8825 106.0549 45.9970 0.0000 174.1288 91 R 4.4093 7.6898 120.4129 54.5727 30.8567 173.3003 92 R 3.9232 8.1866 122.4467 55.5544 31.1191 176.3007 93 V 4.2514 7.8737 121.9810 61.2430 33.9242 173.9748 94 Y 5.4689 8.3274 123.8729 56.7192 42.3073 175.1325 95 V 4.5431 8.2805 112.0664 60.1278 36.7389 174.6273 96 G 4.0876 8.6687 113.7940 44.8292 0.0000 174.9159 97 V 3.5775 8.6189 122.6615 64.6372 31.1098 177.6274 98 K 4.1929 7.9790 114.8386 57.3549 31.9713 177.1718 99 E 4.5150 8.1856 120.3691 56.0481 31.3077 173.9750 100 I 4.5486 7.9963 123.3591 59.2802 41.0032 173.3538 101 P 4.0141 0.0000 0.0000 62.5434 32.0760 177.4184 102 R 4.2728 8.4300 125.5991 53.9380 29.0411 175.9242 103 V 3.6542 7.7290 118.2307 64.6997 32.1277 175.4406 104 R 3.1524 9.4888 126.1383 56.7613 28.9988 175.4215 105 R 3.6021 8.4017 110.9716 56.6310 28.2893 174.8261 106 G 4.4177 8.1932 112.2812 45.9910 0.0000 173.4233 107 L 3.9947 7.9545 118.3730 57.3172 41.6853 177.6240 108 G 4.3393 7.7028 104.7649 45.2957 0.0000 172.7997 109 I 5.0996 9.1441 119.0810 59.0440 41.8341 174.4144 110 A 5.0862 8.8440 127.7618 50.3916 21.7831 175.3262 111 I 4.7254 8.4322 123.5570 61.4178 39.6474 175.8873 112 L 4.8071 8.3547 122.3545 55.6796 43.9039 173.9861 113 S 4.3544 8.9465 120.3957 58.8790 63.5361 172.9781 114 T 4.9973 8.6249 116.2982 59.6562 72.3123 174.8711 115 S 4.3326 8.9143 116.1734 60.2343 62.8233 175.3037 116 K 4.4025 7.9785 118.9486 55.9663 32.6305 175.4421 117 G 3.8679 8.0712 106.3984 43.9209 0.0000 173.2965 118 V 4.0986 8.0418 119.0498 63.0864 32.2193 175.1515 119 L 4.9293 8.2848 125.8244 53.8836 45.5473 174.8739 120 T 5.0975 7.8014 108.2582 60.2169 72.1829 174.8203 121 D 4.4140 9.1400 122.3583 57.2344 39.1205 179.5572 122 R 3.9035 7.9688 119.5506 58.5910 29.8698 178.6380 123 E 3.9427 8.1533 117.5079 59.7167 29.6218 179.5851 124 A 4.0567 9.5562 120.7935 55.0080 18.5393 179.6931 125 R 3.8859 8.1813 117.4700 59.3772 29.8712 178.1058 126 K 3.8295 8.0586 118.8778 59.9875 32.2579 178.4880 127 L 4.1286 7.7522 118.5025 55.1982 42.6423 176.8721 128 G 3.7889 7.8548 105.7152 46.2813 0.0000 173.5713 129 V 4.5656 7.8609 109.1662 59.5193 36.2310 177.1435 130 G 4.6042 8.0649 109.6453 44.7674 0.0000 173.0168 131 G 4.8268 7.9113 106.2398 46.0247 0.0000 171.1734 132 E 4.9450 8.9375 121.6881 55.0703 30.6842 176.2824 133 L 4.0303 8.6079 130.4541 55.9055 42.7259 177.2973 134 I 3.9649 8.9345 128.7841 62.8507 37.6490 176.5796 135 C 4.9422 7.4420 113.6864 57.8529 32.9257 171.1864 136 E 5.2679 8.5430 116.5789 54.7944 32.4000 175.3375 137 V 4.5361 8.3679 120.4614 61.2317 35.7929 174.5388 138 W 4.6313 8.2185 123.4305 57.4471 28.4379 174.0759 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 4.22 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 L 8.04 3.25 0.00 1.83 1.71 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.54 3.99 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 4 D 7.69 4.42 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.31 0.00 2.22 2.07 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 I 8.15 3.49 1.93 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 1.92 0.60 0.91 0.00 0.00 7 A 8.99 3.89 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 8 D 8.24 4.05 0.00 2.79 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 9 M 7.94 3.85 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 10 L 7.34 3.94 0.00 1.62 1.57 0.83 0.61 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 11 T 8.50 3.79 4.31 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 1.16 0.00 0.00 12 R 8.03 3.65 0.00 1.95 1.98 0.00 3.21 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 13 I 7.61 3.67 1.93 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 1.64 0.76 0.80 0.00 0.00 14 R 7.84 3.81 0.00 1.95 1.94 0.00 3.00 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 15 N 8.81 4.51 0.00 2.76 2.82 0.00 0.00 6.98 7.23 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 16 A 7.86 4.21 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 17 T 7.73 4.13 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 18 R 7.19 3.86 0.00 1.79 1.89 0.00 3.05 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 19 V 7.82 4.04 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 0.72 0.00 0.00 1.00 0.00 0.00 20 Y 6.64 3.86 0.00 3.16 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 21 K 7.81 4.42 0.00 1.74 1.78 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.42 7.81 22 E 8.74 4.12 0.00 2.11 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 2.62 2.51 0.00 23 S 7.54 5.47 0.00 3.73 3.65 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 24 T 7.81 4.33 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 1.21 0.00 0.00 25 D 8.60 5.79 0.00 2.63 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 26 V 8.02 4.64 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 0.82 0.00 0.00 0.90 0.00 0.00 27 P 0.00 4.07 0.00 1.80 1.69 0.00 3.65 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 1.96 1.90 0.00 28 A 8.55 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.35 4.63 0.00 3.83 3.72 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 30 R 8.46 3.95 0.00 1.94 2.01 0.00 3.27 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 31 F 8.21 4.23 0.00 3.12 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 32 K 8.44 3.75 0.00 1.91 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 33 E 7.98 3.45 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 34 E 7.70 4.10 0.00 1.92 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 2.62 2.57 0.00 35 I 7.19 3.58 1.75 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.42 0.74 0.00 0.00 36 L 7.75 3.84 0.00 1.44 1.49 0.52 0.72 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 37 R 9.24 4.33 0.00 2.14 2.17 0.00 3.12 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 38 I 8.14 4.29 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.96 0.00 0.00 39 L 8.51 4.44 0.00 1.84 1.83 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.96 4.23 1.43 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 0.00 0.00 41 R 7.42 4.14 0.00 1.95 2.06 0.00 3.24 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 E 7.30 4.50 0.00 2.22 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 43 G 8.82 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 0.00 0.00 0.00 44 F 8.98 4.69 0.00 3.25 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.30 4.93 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 0.96 0.00 0.00 46 K 8.79 4.11 0.00 2.05 1.97 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.51 7.81 47 G 6.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.63 6.01 0.00 3.05 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 49 E 8.80 4.61 0.00 2.06 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 0.00 2.63 2.46 0.00 50 R 9.22 3.98 0.00 1.80 2.06 0.00 3.24 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 51 V 7.94 4.74 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 0.97 0.00 0.00 1.00 0.00 0.00 52 D 8.50 4.84 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.44 4.17 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 0.68 0.00 0.00 0.75 0.00 0.00 54 D 8.98 4.40 0.00 2.99 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 G 8.66 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 56 K 8.14 4.01 0.00 2.37 1.83 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.67 7.81 57 P 0.00 4.85 0.00 2.09 2.21 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 58 Y 8.33 4.82 0.00 3.01 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 59 L 8.94 4.94 0.00 1.49 1.50 0.71 1.02 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 60 R 8.77 4.28 0.00 1.95 1.53 0.00 3.18 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 61 V 8.79 4.11 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 0.94 0.00 0.00 0.93 0.00 0.00 62 Y 8.61 4.54 0.00 3.07 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 63 L 8.84 4.54 0.00 1.91 1.37 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.55 4.78 0.00 1.93 1.91 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.53 7.81 65 Y 8.78 4.88 0.00 2.89 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 66 G 8.14 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 0.00 0.00 0.00 0.00 67 P 0.00 4.61 0.00 2.09 2.07 0.00 3.84 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 1.99 1.97 0.00 68 R 8.58 3.98 0.00 1.78 1.89 0.00 3.12 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 69 R 8.15 4.73 0.00 1.73 1.77 0.00 3.22 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 70 Q 8.35 4.43 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 71 G 8.48 3.80 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 0.00 0.00 0.00 72 P 0.00 4.30 0.00 2.07 2.01 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 73 D 8.63 4.29 0.00 2.81 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 74 P 0.00 4.72 0.00 2.23 2.24 0.00 3.76 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 2.05 1.98 0.00 75 R 8.01 3.99 0.00 1.88 2.06 0.00 3.78 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 76 P 0.00 4.40 0.00 2.03 1.91 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.41 0.00 77 E 8.70 4.46 0.00 2.15 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 2.46 2.47 0.00 78 Q 8.34 5.10 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 79 V 8.39 3.82 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 0.99 0.00 0.00 0.96 0.00 0.00 80 I 7.24 4.51 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.66 0.00 0.00 81 H 8.61 4.39 0.00 3.22 3.51 0.00 5.94 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 82 H 7.55 4.23 0.00 2.05 1.31 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.76 4.51 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.68 0.00 0.00 84 R 8.00 4.51 0.00 1.68 1.62 0.00 3.15 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 85 R 8.53 3.86 0.00 1.79 1.76 0.00 3.51 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 86 I 8.94 3.79 2.12 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.89 0.00 0.00 87 S 7.05 3.93 0.00 3.78 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 88 K 8.12 4.53 0.00 1.77 1.67 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.55 7.81 89 P 0.00 4.30 0.00 2.15 2.17 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 90 G 7.88 3.84 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 0.00 0.00 0.00 91 R 7.69 4.41 0.00 1.78 1.72 0.00 3.08 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 92 R 8.19 3.92 0.00 1.69 1.47 0.00 3.48 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 93 V 7.87 4.25 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 0.92 0.00 0.00 0.91 0.00 0.00 94 Y 8.33 5.47 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.28 4.54 2.35 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 0.71 0.00 0.00 1.07 0.00 0.00 96 G 8.67 4.09 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 0.00 0.00 0.00 97 V 8.62 3.58 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 0.79 0.00 0.00 0.97 0.00 0.00 98 K 7.98 4.19 0.00 1.89 1.96 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 99 E 8.19 4.52 0.00 2.01 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 2.26 2.29 0.00 100 I 8.00 4.55 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 1.44 0.70 0.94 0.00 0.00 101 P 0.00 4.01 0.00 2.08 2.03 0.00 3.69 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 2.06 2.19 0.00 102 R 8.43 4.27 0.00 1.91 1.87 0.00 3.21 0.00 0.00 3.41 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 103 V 7.73 3.65 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 1.28 0.00 0.00 1.11 0.00 0.00 104 R 9.49 3.15 0.00 1.42 1.84 0.00 2.63 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.24 0.00 105 R 8.40 3.60 0.00 1.91 1.85 0.00 3.39 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 106 G 8.19 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 0.00 0.00 0.00 0.00 107 L 7.95 3.99 0.00 1.71 1.79 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.70 4.34 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 0.00 109 I 9.14 5.10 2.14 0.00 0.00 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 1.24 1.57 1.10 0.00 0.00 110 A 8.84 5.09 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 0.00 111 I 8.43 4.73 1.84 0.00 0.00 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 1.28 0.64 0.94 0.00 0.00 112 L 8.35 4.81 0.00 1.83 1.78 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.95 4.35 0.00 4.27 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 0.00 114 T 8.62 5.00 4.27 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 1.31 0.00 0.00 115 S 8.91 4.33 0.00 3.89 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 0.00 116 K 7.98 4.40 0.00 1.76 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.35 7.81 117 G 8.07 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 0.00 0.00 0.00 118 V 8.04 4.10 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 0.73 0.00 0.00 0.92 0.00 0.00 119 L 8.28 4.93 0.00 1.70 1.55 0.95 0.45 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 0.00 120 T 7.80 5.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 121 D 9.14 4.41 0.00 2.91 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 0.00 122 R 7.97 3.90 0.00 1.90 2.04 0.00 3.16 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 123 E 8.15 3.94 0.00 2.26 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 2.38 0.00 124 A 9.56 4.06 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 0.00 125 R 8.18 3.89 0.00 2.14 2.03 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 126 K 8.06 3.83 0.00 2.00 1.92 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 127 L 7.75 4.13 0.00 1.69 1.73 0.93 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 0.00 128 G 7.85 3.79 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 0.00 0.00 0.00 129 V 7.86 4.57 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 0.71 0.00 0.00 0.95 0.00 0.00 130 G 8.06 4.60 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 0.00 131 G 7.91 4.83 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 0.00 132 E 8.94 4.95 0.00 2.40 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 2.33 2.05 0.00 133 L 8.61 4.03 0.00 1.78 1.56 0.93 0.92 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 0.00 134 I 8.93 3.96 2.02 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 1.50 0.71 0.89 0.00 0.00 135 C 7.44 4.94 0.00 3.05 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 0.00 136 E 8.54 5.27 0.00 2.21 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 2.32 2.21 0.00 137 V 8.37 4.54 1.51 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 0.30 0.00 0.00 0.67 0.00 0.00 138 W 8.22 4.63 0.00 3.49 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