NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5122 8.3044 120.3258 53.9360 34.7215 174.9719 3 L 4.1652 6.9794 120.5640 54.7022 46.4430 170.0508 4 T 4.5432 8.3399 115.7728 61.2724 68.0137 175.4021 5 A 4.4834 8.3365 119.1395 51.3882 22.5407 177.2926 6 E 4.0867 8.1428 116.8374 58.0748 29.8592 177.4688 7 E 4.4169 7.7970 117.2637 57.8624 30.9098 177.9007 8 K 3.9415 7.9925 115.6450 58.2500 32.1869 178.7141 9 A 4.0977 7.8965 121.3627 55.2600 18.3601 178.9788 10 A 3.9572 7.8851 117.8846 55.7332 18.8019 179.5742 11 V 3.3742 7.6761 113.9571 66.6485 31.5880 177.9271 12 T 4.1870 8.0462 114.3938 66.9794 68.3155 176.6122 13 G 4.1157 7.6149 102.1684 45.3049 0.0000 173.5445 14 F 4.8262 8.1395 122.1141 59.1155 42.7146 176.6257 15 W 4.1468 9.6736 130.7706 59.9593 30.9280 177.9194 16 G 4.0181 8.8696 107.7751 48.7391 0.0000 174.3812 17 K 4.1383 7.6415 116.3142 55.9552 32.2420 176.9044 18 V 3.6632 6.9436 120.0607 61.6524 32.5223 177.3211 19 K 4.1291 8.4548 127.1809 56.9219 30.2606 178.9345 20 V 3.0783 6.5009 122.9863 64.6720 33.3686 177.3232 21 D 4.6138 8.0167 119.3695 54.7275 39.4705 177.1546 22 E 4.2323 7.8708 117.0666 56.8621 30.6900 178.0000 23 V 3.5356 7.6404 119.9724 65.7808 31.6558 178.0146 24 G 3.8972 7.8445 103.9347 47.1375 0.0000 175.8329 25 A 3.9734 7.5223 122.8250 55.2329 18.4461 179.3938 26 E 3.8403 7.8733 117.2822 59.3223 29.8172 178.8222 27 A 3.9964 8.5948 121.2747 54.9651 18.1063 179.3261 28 L 4.1229 7.9239 118.6089 57.8945 42.0875 179.1972 29 G 3.5489 8.1659 105.9222 47.8449 0.0000 176.0591 30 R 3.9179 8.6899 121.0089 58.5901 29.9461 178.9742 31 L 4.0953 7.5544 119.4712 58.2974 42.3102 178.7963 32 L 4.0853 7.4734 119.9549 57.0641 41.2632 179.6108 33 V 3.6704 7.1430 116.7618 64.9547 31.7779 177.5513 34 V 3.7630 7.7500 116.5961 63.2307 33.0716 175.6638 35 Y 3.9102 7.4578 115.8543 53.8628 38.5644 173.6237 36 P 4.7321 0.0000 0.0000 64.2140 31.4693 177.1857 37 W 4.5106 7.5385 113.9444 58.1718 28.2460 177.9214 38 T 4.4242 7.6960 111.6579 64.7059 68.4557 176.4491 39 Q 4.0855 7.8808 120.6984 58.9656 28.4256 178.9073 40 R 3.9274 7.2500 117.6214 59.8398 30.0951 178.3627 41 F 4.1658 7.3188 115.4877 59.2960 38.5442 176.4520 42 F 4.5995 7.9573 117.5271 57.1646 40.0097 177.8068 43 E 4.0576 8.2678 120.3928 59.0606 29.4593 177.6516 44 H 4.9245 8.1018 113.9073 55.7423 29.1341 175.8481 45 F 4.6883 8.0258 116.7310 58.1370 39.4259 175.6340 46 G 3.9996 7.7146 105.5334 44.3486 0.0000 173.4659 47 D 4.6822 8.5713 123.4760 53.5131 41.7942 176.2661 48 L 4.8222 8.4336 124.4783 54.3912 43.2988 177.7374 49 S 4.4077 7.6481 115.3014 55.2398 61.7885 172.1847 50 S 4.7293 8.4274 121.8780 57.5455 62.7187 173.1917 51 A 4.1317 8.7589 124.7520 54.3210 17.5864 179.6007 52 D 4.2389 8.0359 117.4787 57.4391 41.1853 178.3179 53 A 4.0417 8.0360 121.1255 55.1108 18.1248 179.5666 54 V 3.7717 7.4594 114.8479 65.6434 32.0382 177.6209 55 M 4.2563 8.1892 117.7023 56.9756 31.9583 176.7340 56 N 4.6841 7.3761 113.0058 52.8207 39.5331 174.8597 57 N 4.4885 8.0872 118.0563 52.9056 39.3909 174.8252 58 A 3.9646 8.6806 131.3271 55.3756 18.2858 178.6866 59 K 3.9535 7.9894 117.4338 58.7000 32.1901 179.2371 60 V 3.7566 7.8969 118.4114 65.9450 31.1800 177.7009 61 K 3.8731 8.0749 117.7896 59.6835 31.8573 179.1969 62 A 3.9913 8.4953 121.0854 55.4414 18.3928 179.1329 63 H 4.2332 8.5541 117.1434 59.0801 29.7709 177.9288 64 G 3.9187 8.1014 109.1290 47.1153 0.0000 175.2551 65 K 3.9939 7.6502 122.6541 59.4712 31.9162 178.7156 66 K 4.0880 7.8976 117.7340 58.4894 31.7428 179.4868 67 V 3.6769 7.4983 118.6618 65.8040 31.5671 178.0544 68 L 4.4547 8.9291 119.4208 57.6063 41.3075 179.2239 69 D 4.8038 9.8088 119.3032 57.7799 40.8544 179.0345 70 S 3.8432 7.7860 115.0746 61.5822 62.5484 176.6500 71 F 4.9476 8.4362 123.1709 61.2992 38.8335 177.3653 72 S 4.3288 9.4833 116.1256 61.7459 62.5570 175.8108 73 N 4.5037 8.8196 119.5150 57.0486 38.7693 176.4065 74 G 3.8709 8.1727 106.7145 47.8822 0.0000 176.0771 75 M 4.4646 8.9690 121.0248 54.5377 32.0441 177.2492 76 K 4.7324 8.7226 118.8008 58.3369 40.3500 179.4722 77 H 4.5303 8.0225 117.4137 55.5032 27.4451 177.1406 78 L 4.0181 7.8276 118.3197 56.1780 42.0146 177.0912 79 D 4.6110 7.4075 120.2753 53.5843 41.9706 175.8116 80 D 4.3510 8.7016 124.2201 55.0880 38.4502 173.9656 81 L 4.1072 7.7355 122.1501 57.4522 42.1171 178.8098 82 K 4.1956 8.2678 119.5514 59.5414 31.7134 178.0651 83 G 3.7157 8.3221 104.1520 46.9172 0.0000 175.4060 84 T 3.8517 7.2998 115.9202 67.0457 68.1075 176.1366 85 F 4.3238 9.7997 119.4198 60.7388 38.7557 179.4571 86 A 3.9339 8.2275 120.8678 54.5636 19.0588 179.5550 87 Q 3.9698 8.0366 115.8882 58.9347 28.8494 178.7494 88 L 4.1553 9.4447 120.5783 57.3605 41.5334 178.9532 89 S 4.2165 7.7283 114.6582 60.8586 62.3391 175.7529 90 E 3.8206 8.2016 120.3042 59.6948 29.2272 178.8138 91 L 3.8202 7.4261 118.6376 59.0760 42.0577 179.0155 92 H 4.2547 8.2929 115.4041 56.9369 29.0484 177.8268 93 C 3.9783 9.1669 118.4017 61.0069 27.1497 175.9592 94 D 4.0584 8.6410 125.2104 58.3126 41.8263 178.3046 95 K 3.9704 8.0846 120.4899 59.4017 32.4368 178.4671 96 L 4.2283 8.2159 116.2154 54.7553 42.0738 177.3178 97 H 4.3308 8.3083 113.5097 55.2825 27.0314 174.7896 98 V 2.9211 7.1062 118.5955 63.0466 31.5755 175.4071 99 D 4.1058 8.6371 126.9215 53.2049 42.0137 175.1043 100 P 3.2343 0.0000 0.0000 65.4700 31.1932 178.1852 101 E 4.0008 7.6711 117.5993 58.8041 29.5724 178.3677 102 N 4.3779 8.0929 117.3425 56.0837 38.5312 176.9608 103 F 4.3885 7.1989 118.2504 60.8541 38.9235 177.6944 104 K 4.0918 7.9614 118.4394 59.0013 31.8308 179.1051 105 L 3.8772 7.5782 119.1277 57.5084 41.6019 178.6661 106 L 4.1108 7.7781 119.9718 58.4058 41.5361 179.0744 107 G 3.5417 8.1017 105.4376 47.8942 0.0000 174.6652 108 N 4.7441 7.8153 116.0156 54.7214 39.0298 177.7111 109 V 3.6593 8.4828 120.9447 65.9057 31.5565 177.7969 110 L 4.0122 8.8628 121.1112 58.1983 41.8543 179.0474 111 V 3.6074 7.6742 117.2871 66.1061 31.4441 178.4978 112 V 3.6310 7.8873 112.2349 64.2662 31.2175 178.6285 113 V 3.5404 7.8793 117.4068 66.2297 31.5784 177.0907 114 L 3.5464 8.7550 119.3213 55.0736 40.8931 180.4089 115 A 3.6501 5.8000 122.2452 54.6651 19.4007 179.5669 116 R 3.7887 7.5460 115.9480 59.9680 30.2249 178.2410 117 H 4.2276 8.2437 114.6446 59.3564 29.2154 177.3422 118 H 4.6377 8.0271 116.9435 54.3049 29.0796 179.5026 119 G 3.8966 9.4247 108.9886 46.1672 0.0000 175.0313 120 S 4.1902 9.6865 113.7665 61.4682 63.0612 176.2973 121 E 4.1438 8.0937 119.1477 58.4521 29.3749 177.5959 122 F 4.4443 8.0240 122.1921 57.0060 37.8542 174.8953 123 T 4.1494 7.4042 115.2225 59.9355 69.9663 174.5813 124 P 4.1592 0.0000 0.0000 66.2053 31.5574 178.2770 125 L 3.9463 7.9907 118.5557 57.5508 42.0725 178.5977 126 L 3.5974 8.2646 120.4503 58.2436 42.2492 179.2697 127 Q 3.7162 7.9130 119.1552 58.8328 28.5790 178.1449 128 A 4.0135 8.0407 121.8215 55.2810 18.6528 178.6527 129 E 3.8198 8.0677 116.6207 60.2799 29.5091 179.7681 130 F 4.0133 8.1702 116.2732 60.9345 39.3426 177.5687 131 Q 4.0800 8.6646 118.1223 59.3057 28.3065 180.2063 132 K 3.9863 8.1769 118.5071 59.4475 32.3875 179.3244 133 V 3.6622 7.6052 117.9745 66.1349 31.5315 177.9435 134 V 3.8471 8.5031 112.2318 64.8189 31.5022 178.5623 135 A 4.1335 8.1819 120.1907 54.9930 18.2213 179.8872 136 G 3.5140 8.6467 104.5241 47.8355 0.0000 175.8197 137 V 3.1766 7.8715 120.6809 65.4142 31.2591 177.5311 138 A 3.8168 7.9330 119.1187 55.4966 18.6656 179.1376 139 N 4.4587 8.7517 114.7886 56.2681 38.2828 177.6225 140 A 4.1371 7.6733 121.7394 55.0524 19.0171 179.2780 141 L 3.9883 7.5147 115.4937 55.5635 42.5409 176.5523 142 A 5.1347 7.4561 119.8821 50.3630 17.6041 174.5924 143 H 4.8963 8.6001 120.4815 55.5795 32.4699 176.4216 144 R 4.2575 8.0624 117.3947 59.3830 30.3609 177.5766 145 Y 4.1785 8.0032 115.3493 61.4413 38.1805 175.8069 146 H 4.5387 7.4922 120.0670 56.1335 28.7418 175.3492 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 2 M 8.30 4.51 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 3 L 6.98 4.17 0.00 1.58 1.38 0.86 0.45 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 4 T 8.34 4.54 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 1.18 0.00 0.00 5 A 8.34 4.48 1.22 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 0.00 0.00 6 E 8.14 4.09 0.00 1.96 1.96 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 2.30 2.33 0.00 7 E 7.80 4.42 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 8 K 7.99 3.94 0.00 1.68 1.83 0.00 1.94 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.44 7.81 9 A 7.90 4.10 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 10 A 7.89 3.96 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 11 V 7.68 3.37 1.87 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 -0.08 0.00 0.00 0.66 0.00 0.00 12 T 8.05 4.19 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 1.29 0.00 0.00 13 G 7.61 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 0.00 0.00 0.00 14 F 8.14 4.83 0.00 3.18 3.46 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 15 W 9.67 4.15 0.00 3.88 3.24 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 0.00 16 G 8.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.64 4.14 0.00 1.56 1.68 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 18 V 6.94 3.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.57 0.00 0.00 19 K 8.45 4.13 0.00 1.78 1.64 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.38 7.81 20 V 6.50 3.08 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 1.04 0.00 0.00 0.81 0.00 0.00 21 D 8.02 4.61 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.87 4.23 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 23 V 7.64 3.54 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 0.72 0.00 0.00 0.65 0.00 0.00 24 G 7.84 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 25 A 7.52 3.97 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 26 E 7.87 3.84 0.00 2.15 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 2.26 2.29 0.00 27 A 8.59 4.00 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 28 L 7.92 4.12 0.00 1.91 1.63 1.04 0.66 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 29 G 8.17 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 30 R 8.69 3.92 0.00 1.82 1.97 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 31 L 7.55 4.10 0.00 1.96 1.69 0.94 0.68 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 32 L 7.47 4.09 0.00 1.82 1.67 0.69 0.60 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 33 V 7.14 3.67 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 0.72 0.00 0.00 0.97 0.00 0.00 34 V 7.75 3.76 1.63 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 -0.09 0.00 0.00 0.77 0.00 0.00 35 Y 7.46 3.91 0.00 2.56 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 36 P 0.00 4.73 0.00 2.18 2.08 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 37 W 7.54 4.51 0.00 3.55 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.42 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 1.05 0.00 0.00 39 Q 7.88 4.09 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 40 R 7.25 3.93 0.00 1.69 1.94 0.00 2.95 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.39 0.00 41 F 7.32 4.17 0.00 2.44 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.96 4.60 0.00 2.96 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 43 E 8.27 4.06 0.00 1.89 1.83 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 2.27 2.51 0.00 44 H 8.10 4.92 0.00 3.33 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.03 4.69 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.71 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 47 D 8.57 4.68 0.00 2.65 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 48 L 8.43 4.82 0.00 1.64 1.61 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.65 4.41 0.00 4.02 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 50 S 8.43 4.73 0.00 4.20 4.35 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 51 A 8.76 4.13 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 52 D 8.04 4.24 0.00 2.69 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 53 A 8.04 4.04 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 54 V 7.46 3.77 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 0.89 0.00 0.00 0.94 0.00 0.00 55 M 8.19 4.26 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.93 0.00 56 N 7.38 4.68 0.00 2.89 2.81 0.00 0.00 6.95 7.88 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 57 N 8.09 4.49 0.00 3.07 2.76 0.00 0.00 7.03 7.26 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 58 A 8.68 3.96 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 59 K 7.99 3.95 0.00 1.54 1.15 0.00 1.35 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.71 1.13 7.81 60 V 7.90 3.76 2.22 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 1.02 0.00 0.00 1.14 0.00 0.00 61 K 8.07 3.87 0.00 2.03 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 62 A 8.50 3.99 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 63 H 8.55 4.23 0.00 3.58 3.64 0.00 5.79 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 64 G 8.10 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 65 K 7.65 3.99 0.00 1.85 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.54 7.81 66 K 7.90 4.09 0.00 2.02 1.82 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 67 V 7.50 3.68 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 1.14 0.00 0.00 1.06 0.00 0.00 68 L 8.93 4.45 0.00 1.99 1.92 1.64 0.61 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 69 D 9.81 4.80 0.00 2.84 2.78 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 70 S 7.79 3.84 0.00 4.26 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 71 F 8.44 4.95 0.00 3.33 3.29 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 72 S 9.48 4.33 0.00 4.19 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 73 N 8.82 4.50 0.00 2.76 2.81 0.00 0.00 7.28 7.86 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 74 G 8.17 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 75 M 8.97 4.46 0.00 1.72 2.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.35 0.00 76 K 8.72 4.73 0.00 1.70 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 77 H 8.02 4.53 0.00 3.10 3.25 0.00 5.64 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 78 L 7.83 4.02 0.00 1.60 1.68 0.84 1.00 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 79 D 7.41 4.61 0.00 2.74 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 80 D 8.70 4.35 0.00 2.92 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 81 L 7.74 4.11 0.00 1.96 2.27 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.27 4.20 0.00 1.84 2.04 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.55 7.81 83 G 8.32 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 0.00 0.00 0.00 84 T 7.30 3.85 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 0.67 0.00 0.00 85 F 9.80 4.32 0.00 3.14 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 86 A 8.23 3.93 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 87 Q 8.04 3.97 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 88 L 9.44 4.16 0.00 1.91 1.80 1.08 0.75 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 89 S 7.73 4.22 0.00 3.91 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 90 E 8.20 3.82 0.00 2.18 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 2.38 2.39 0.00 91 L 7.43 3.82 0.00 1.81 1.80 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.29 4.25 0.00 3.43 3.73 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 9.17 3.98 0.00 2.65 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 94 D 8.64 4.06 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.08 3.97 0.00 1.68 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 96 L 8.22 4.23 0.00 1.62 1.50 0.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.31 4.33 0.00 3.47 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.11 2.92 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 0.33 0.00 0.00 0.36 0.00 0.00 99 D 8.64 4.11 0.00 2.63 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 0.00 0.00 0.00 0.00 100 P 0.00 3.23 0.00 2.14 2.11 0.00 3.16 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 101 E 7.67 4.00 0.00 2.03 1.96 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 2.26 2.34 0.00 102 N 8.09 4.38 0.00 2.76 2.90 0.00 0.00 6.82 7.75 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 0.00 103 F 7.20 4.39 0.00 3.22 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 0.00 104 K 7.96 4.09 0.00 1.97 1.79 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 105 L 7.58 3.88 0.00 1.66 1.00 0.50 0.10 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 0.00 106 L 7.78 4.11 0.00 1.83 1.68 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.10 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.74 0.00 3.05 2.96 0.00 0.00 6.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.48 3.66 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 1.21 0.00 0.00 1.22 0.00 0.00 110 L 8.86 4.01 0.00 1.98 1.94 1.08 0.45 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 0.00 111 V 7.67 3.61 2.22 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 1.27 0.00 0.00 1.26 0.00 0.00 112 V 7.89 3.63 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 0.83 0.00 0.00 1.04 0.00 0.00 113 V 7.88 3.54 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 0.66 0.00 0.00 0.99 0.00 0.00 114 L 8.75 3.55 0.00 1.04 0.42 0.55 0.65 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 0.00 115 A 5.80 3.65 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 0.00 116 R 7.55 3.79 0.00 1.84 2.13 0.00 3.25 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 1.67 1.67 0.00 117 H 8.24 4.23 0.00 3.07 3.10 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.03 4.64 0.00 3.31 3.71 0.00 5.76 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 0.00 119 G 9.42 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 0.00 120 S 9.69 4.19 0.00 4.04 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 0.00 121 E 8.09 4.14 0.00 2.39 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 2.47 2.35 0.00 122 F 8.02 4.44 0.00 3.10 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 0.00 123 T 7.40 4.15 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 124 P 0.00 4.16 0.00 2.01 2.16 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 125 L 7.99 3.95 0.00 1.65 1.52 0.89 0.51 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 0.00 126 L 8.26 3.60 0.00 1.45 1.31 0.74 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.91 3.72 0.00 1.81 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 128 A 8.04 4.01 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 0.00 129 E 8.07 3.82 0.00 1.90 1.76 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 2.47 2.33 0.00 130 F 8.17 4.01 0.00 3.25 3.29 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 0.00 131 Q 8.66 4.08 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 132 K 8.18 3.99 0.00 1.86 1.84 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 133 V 7.61 3.66 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 1.02 0.00 0.00 0.65 0.00 0.00 134 V 8.50 3.85 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 1.04 0.00 0.00 1.14 0.00 0.00 135 A 8.18 4.13 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 0.00 136 G 8.65 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 0.00 137 V 7.87 3.18 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 0.22 0.00 0.00 1.31 0.00 0.00 138 A 7.93 3.82 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 0.00 139 N 8.75 4.46 0.00 3.02 2.93 0.00 0.00 6.98 7.45 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 0.00 140 A 7.67 4.14 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 0.00 141 L 7.51 3.99 0.00 0.81 0.13 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.46 5.13 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 0.00 143 H 8.60 4.90 0.00 3.21 3.31 0.00 5.78 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 0.00 144 R 8.06 4.26 0.00 1.74 1.84 0.00 3.41 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 145 Y 8.00 4.18 0.00 2.95 2.87 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 0.00 146 H 7.49 4.54 0.00 3.26 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00