NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6105 0.0000 0.0000 62.9020 33.5084 174.3768 2 I 4.7557 7.9770 120.5747 59.6522 39.1069 170.4682 3 V 4.4815 8.7503 118.0000 60.3267 37.2768 172.6539 4 Q 4.8516 8.5617 123.3390 55.6726 30.1568 174.8940 5 N 4.9415 8.6902 123.5335 50.7894 40.0403 174.8704 6 L 3.8633 8.5343 118.8233 58.6875 41.9526 177.9905 7 Q 4.2096 8.1051 114.1214 55.9666 28.7099 176.6438 8 G 3.9548 8.4192 107.5150 44.9857 0.0000 173.8661 9 Q 4.4093 8.3497 118.6412 55.6405 30.6481 174.9637 10 M 4.7693 8.4421 120.7319 55.2363 33.0158 175.9699 11 V 4.5828 9.2666 116.0363 60.1098 37.0308 173.5245 12 H 5.1097 8.7089 121.5965 55.5569 30.9395 173.9947 13 Q 4.5809 8.5925 124.9784 53.7658 31.8641 175.0455 14 A 4.1140 8.4746 127.8311 51.6419 19.2129 177.2591 15 I 3.7177 8.0563 120.9861 60.6810 38.7908 176.4160 16 S 4.2487 8.5474 122.1521 57.5577 63.5516 173.3372 17 P 4.2678 0.0000 0.0000 65.9287 31.0963 178.9635 18 R 3.9285 7.8973 117.4701 59.5043 30.1084 178.9503 19 T 3.9208 7.7264 115.3661 66.4204 68.3273 176.6490 20 L 4.1026 8.2387 121.2772 58.2359 41.7962 179.5122 21 N 4.3623 9.1061 116.9951 56.1559 38.5244 177.4375 22 A 4.0255 8.0841 122.4606 54.8070 18.6036 179.4599 23 W 4.3151 8.4390 127.0107 60.5574 30.7095 178.1490 24 V 3.3234 8.1786 118.5902 66.1720 30.8559 178.2665 25 K 3.9028 7.8526 117.7213 58.9685 31.8369 179.7115 26 V 3.4146 7.4225 118.5512 65.9106 31.4453 178.3369 27 V 3.1496 6.8919 117.5556 65.6206 30.9813 177.7375 28 E 3.8233 7.9080 117.8789 59.2482 29.3525 178.5164 29 E 4.1210 8.0201 117.9905 57.9914 30.4101 177.6255 30 K 4.2363 8.3319 116.0149 55.4473 33.3718 177.0301 31 A 3.1058 7.9771 122.0192 53.5870 17.5626 179.1769 32 F 4.3884 6.8060 108.4551 58.1204 39.6047 175.6898 33 S 4.6098 7.5320 114.6003 57.3645 64.1665 173.3000 34 P 4.2624 0.0000 0.0000 66.3408 31.0425 178.5359 35 E 4.0492 8.3996 116.6806 59.4645 29.2420 179.6970 36 V 3.8837 8.1779 119.5304 64.4951 31.3601 178.4657 37 I 3.7999 7.9639 120.7461 64.1515 37.0508 176.4872 38 P 4.3545 0.0000 0.0000 65.7571 31.0562 178.6390 39 M 4.0806 7.8264 116.2455 58.3499 31.7223 178.2546 40 F 3.5481 8.3405 119.6594 61.2868 39.9128 176.9899 41 S 4.1409 8.2582 113.4701 61.3966 62.5553 176.2522 42 A 3.9617 8.1726 123.8440 54.6727 18.2760 178.9192 43 L 4.2470 7.8951 114.6096 55.3588 41.9561 177.4861 44 S 4.4534 7.4274 113.5123 57.4417 63.5371 173.5546 45 E 4.0441 8.1634 120.6206 58.6376 29.6830 177.5758 46 G 3.8279 8.9710 110.6227 45.4057 0.0000 173.0458 47 A 4.3253 7.7496 123.6983 52.1662 19.0601 178.0430 48 T 4.2320 8.7865 112.7971 60.3837 71.2904 174.2894 49 P 4.4932 0.0000 0.0000 66.0049 31.2710 178.5622 50 Q 3.9991 8.6665 118.2891 59.3785 28.8885 178.2261 51 D 4.3667 8.3664 119.9183 57.3308 40.8652 178.5979 52 L 3.9434 8.0671 119.4472 58.1439 41.6206 179.3783 53 N 4.4673 8.5362 116.2108 56.7351 38.2385 177.5465 54 T 3.9422 7.9182 116.1724 66.9777 68.6095 176.1830 55 M 4.3331 8.3113 120.6859 58.5142 31.9239 178.8924 56 L 4.3441 8.0787 119.1751 57.7839 41.6686 178.7678 57 N 4.6912 8.5483 114.8266 55.1009 38.6785 176.3891 58 T 4.3011 7.6717 113.6253 62.0557 67.8016 174.5131 59 V 3.6683 7.4144 121.0512 63.3342 31.9365 175.2844 60 G 3.9487 8.6616 116.6230 45.3929 0.0000 175.2475 61 G 3.7340 8.6010 110.8170 43.8411 0.0000 173.0244 62 H 4.2425 8.6780 110.0651 56.5758 26.4321 176.6551 63 Q 4.0129 8.2469 119.0336 59.1778 28.8247 178.3733 64 A 4.0086 8.0028 120.9224 55.0487 18.5581 179.3318 65 A 3.9062 8.0272 118.8197 55.7069 18.5385 179.6590 66 M 3.9692 8.2432 117.2601 58.5342 31.9519 179.1054 67 Q 4.0100 8.3000 118.4407 59.0501 28.9003 178.2722 68 M 4.0174 8.2302 119.4230 58.3322 32.1402 178.1486 69 L 3.8619 7.9948 120.6533 57.8282 42.2741 178.5307 70 K 3.8376 8.0626 119.6891 59.6563 32.0364 178.0582 71 E 3.9000 8.2582 119.2374 59.7466 29.5641 178.8999 72 T 3.8251 7.9775 115.5820 66.7049 68.4542 176.6080 73 I 3.8020 8.0181 121.8340 64.6388 37.0984 178.3146 74 N 4.3252 8.3767 117.2848 56.0892 38.3174 177.4077 75 E 3.8611 8.2495 120.1963 59.5006 29.5265 179.2891 76 E 3.5513 7.9860 118.3204 58.8925 29.2928 179.2778 77 A 3.3259 7.4389 120.6555 54.9007 18.3646 179.5321 78 A 3.9701 8.0409 119.4286 55.3580 18.4033 179.7753 79 E 3.8774 7.9871 117.1686 59.0566 29.2702 179.2656 80 W 4.1901 8.0863 127.7986 60.6277 31.2557 177.4954 81 D 4.5779 8.3785 118.8736 57.4299 40.0695 178.5228 82 R 3.8845 8.0403 118.3322 59.3049 30.1149 177.7052 83 L 4.3733 7.6756 115.6375 54.7421 43.0346 176.9581 84 H 4.5537 7.3357 115.7767 52.0510 29.0961 170.5994 85 P 4.2804 0.0000 0.0000 62.3968 31.8947 177.3916 86 V 3.7286 8.2838 120.8780 62.6638 32.2050 174.8281 87 A 4.6962 8.2764 128.8892 49.9100 21.0129 176.1817 88 A 4.0570 8.4883 125.3034 52.1040 18.9447 177.8907 89 A 4.3947 8.2831 125.6629 50.4193 19.8576 173.6129 90 P 4.2383 0.0000 0.0000 63.7275 32.0246 176.3403 91 I 4.0175 8.2238 122.2787 60.2034 38.9449 175.1240 92 A 4.5293 8.2663 129.8591 50.1508 20.0993 174.7400 93 P 4.4079 0.0000 0.0000 64.1343 31.7848 177.4796 94 G 3.9629 9.0517 110.8153 45.2352 0.0000 173.0157 95 Q 4.7376 7.8510 117.7639 54.4302 31.2394 174.5397 96 M 4.7229 8.1281 118.5637 52.9636 34.5069 176.5022 97 R 4.1428 8.5612 118.3478 56.6096 29.9890 176.0744 98 E 4.3528 8.6383 119.6274 55.3278 30.3625 174.9943 99 P 4.2686 0.0000 0.0000 62.4048 32.2708 176.9733 100 R 4.6610 8.9866 121.1990 54.9187 32.7729 178.1583 101 G 3.7205 9.3169 106.8914 48.2988 0.0000 176.2072 102 S 4.2035 8.0639 116.2114 61.0929 62.9601 176.2538 103 D 4.3592 7.7995 122.2022 57.1520 40.4723 178.3549 104 I 3.2065 7.1389 119.0373 64.1418 37.1364 177.9250 105 A 2.5800 7.5463 118.8349 52.0492 18.2450 178.4867 106 G 3.8810 7.5361 105.0976 45.4950 0.0000 175.1518 107 T 3.9971 7.8974 116.8615 66.1492 68.5496 175.3250 108 T 4.5736 7.7628 107.6906 60.9366 68.9570 173.7000 109 S 5.0698 7.7738 116.5280 56.7728 65.8829 173.5771 110 T 4.2737 8.5176 112.9160 60.6399 71.1767 175.6228 111 L 3.8525 8.3291 122.9387 58.7083 41.9202 179.2097 112 Q 3.9341 7.9019 117.1838 58.9936 28.5938 178.5393 113 E 3.4011 8.0955 119.6038 59.1314 29.3459 179.4683 114 Q 4.1697 7.9775 118.1987 59.0693 28.8175 178.7500 115 I 3.8153 8.1718 121.4398 64.1455 37.1628 178.6346 116 G 3.4785 8.1969 106.9560 47.5582 0.0000 175.7101 117 W 4.4755 7.9234 121.7520 59.9384 28.9301 178.6962 118 M 4.2302 8.2165 117.0592 57.3812 31.4000 177.2695 119 T 4.4689 7.4788 106.6910 61.2878 69.4993 173.7927 120 H 4.2948 7.6845 121.4296 56.0946 30.4945 173.9573 121 N 4.8749 7.9246 120.8381 50.9462 39.8562 172.2259 122 P 4.6707 0.0000 0.0000 61.0642 32.6751 174.3595 123 P 4.6077 0.0000 0.0000 62.8917 31.8510 176.0560 124 I 4.3389 8.4712 122.0690 59.2505 38.6356 175.8168 125 P 4.6218 0.0000 0.0000 61.9922 27.9524 177.1889 126 V 3.4161 7.5269 115.4635 64.5252 32.0198 178.5400 127 G 3.6438 7.8420 106.6949 47.3335 0.0000 175.5017 128 E 3.9127 7.9826 121.0777 58.8523 29.6684 179.2431 129 I 3.3981 7.5100 119.7516 64.6176 37.1639 177.9787 130 Y 3.4509 7.6699 120.3455 60.1681 38.4037 177.8869 131 K 3.8320 7.8008 120.8850 59.1561 32.2825 178.8550 132 R 3.9539 8.0017 118.5455 59.2800 29.9591 179.0066 133 W 4.4352 7.8660 118.0133 59.8221 29.0111 178.6090 134 I 3.5576 7.8395 119.7122 64.5656 36.5393 178.5827 135 I 3.6202 7.9839 120.7429 64.3085 36.3603 178.5820 136 L 4.1402 8.1056 120.1466 57.5435 41.4524 179.6873 137 G 3.6047 8.3270 106.0522 47.7346 0.0000 175.4463 138 L 3.9112 8.4123 122.1176 57.8311 41.4596 179.2726 139 N 4.3043 8.0237 114.7838 56.4464 38.3108 177.0446 140 K 4.1222 7.7014 119.9342 59.3061 32.3815 178.7841 141 I 4.0314 7.7684 112.8329 63.2838 37.8164 178.3664 142 V 4.3631 8.1651 116.0601 63.6184 31.0732 178.2895 143 R 4.0608 7.5729 116.1176 59.0320 29.9326 177.7926 144 M 4.3164 8.1247 116.1621 55.8182 32.3457 176.0372 145 Y 4.4552 7.8642 115.3557 56.9291 39.6620 175.6680 146 S 4.3435 8.1930 119.7464 58.5693 63.1530 168.6114 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 P 0.00 4.61 0.00 2.08 2.21 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 2 I 7.98 4.76 1.87 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 1.25 0.54 0.91 0.00 0.00 3 V 8.75 4.48 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 0.66 0.00 0.00 0.96 0.00 0.00 4 Q 8.56 4.85 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 5 N 8.69 4.94 0.00 2.95 2.94 0.00 0.00 6.50 7.12 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 6 L 8.53 3.86 0.00 1.62 1.75 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.11 4.21 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 8 G 8.42 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.35 4.41 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 10 M 8.44 4.77 0.00 1.93 2.04 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 2.59 2.51 0.00 11 V 9.27 4.58 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 0.67 0.00 0.00 0.95 0.00 0.00 12 H 8.71 5.11 0.00 3.13 3.18 0.00 5.67 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 13 Q 8.59 4.58 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 14 A 8.47 4.11 1.24 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 0.00 0.00 15 I 8.06 3.72 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.92 0.00 0.00 16 S 8.55 4.25 0.00 3.91 3.70 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 17 P 0.00 4.27 0.00 2.31 2.31 0.00 3.75 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 2.07 2.06 0.00 18 R 7.90 3.93 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 19 T 7.73 3.92 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 20 L 8.24 4.10 0.00 1.91 1.82 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 N 9.11 4.36 0.00 2.94 2.88 0.00 0.00 6.99 7.90 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 22 A 8.08 4.03 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 23 W 8.44 4.32 0.00 3.41 3.35 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 24 V 8.18 3.32 2.25 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 1.01 0.00 0.00 0.96 0.00 0.00 25 K 7.85 3.90 0.00 1.92 1.78 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.56 7.81 26 V 7.42 3.41 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 0.68 0.00 0.00 1.01 0.00 0.00 27 V 6.89 3.15 1.58 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 0.42 0.00 0.00 -0.47 0.00 0.00 28 E 7.91 3.82 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 29 E 8.02 4.12 0.00 1.87 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 2.25 2.32 0.00 30 K 8.33 4.24 0.00 1.71 1.68 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.32 7.81 31 A 7.98 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 6.81 4.39 0.00 1.71 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 33 S 7.53 4.61 0.00 4.21 4.03 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 0.00 0.00 0.00 34 P 0.00 4.26 0.00 2.21 2.21 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 35 E 8.40 4.05 0.00 2.05 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 2.41 2.46 0.00 36 V 8.18 3.88 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 0.91 0.00 0.00 1.03 0.00 0.00 37 I 7.96 3.80 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 0.97 0.00 0.00 38 P 0.00 4.35 0.00 2.20 2.14 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 39 M 7.83 4.08 0.00 2.26 2.44 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.89 0.00 40 F 8.34 3.55 0.00 3.00 3.27 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 41 S 8.26 4.14 0.00 4.14 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 42 A 8.17 3.96 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 43 L 7.90 4.25 0.00 1.29 1.56 1.11 0.69 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 44 S 7.43 4.45 0.00 3.55 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 45 E 8.16 4.04 0.00 1.91 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 2.25 2.21 0.00 46 G 8.97 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 47 A 7.75 4.33 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 48 T 8.79 4.23 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 1.28 0.00 0.00 49 P 0.00 4.49 0.00 2.28 2.14 0.00 3.81 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 2.08 2.11 0.00 50 Q 8.67 4.00 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 51 D 8.37 4.37 0.00 2.96 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 52 L 8.07 3.94 0.00 1.95 1.65 0.93 0.46 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 53 N 8.54 4.47 0.00 2.98 2.97 0.00 0.00 7.10 6.59 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 54 T 7.92 3.94 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 55 M 8.31 4.33 0.00 1.58 2.17 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.41 0.00 56 L 8.08 4.34 0.00 1.91 1.81 0.85 0.75 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 57 N 8.55 4.69 0.00 2.85 2.94 0.00 0.00 6.99 7.13 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 58 T 7.67 4.30 4.69 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 1.60 0.00 0.00 59 V 7.41 3.67 2.33 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 1.00 0.00 0.00 1.23 0.00 0.00 60 G 8.66 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.60 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 62 H 8.68 4.24 0.00 3.56 3.58 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 63 Q 8.25 4.01 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 64 A 8.00 4.01 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 65 A 8.03 3.91 1.24 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 0.00 0.00 66 M 8.24 3.97 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.92 0.00 67 Q 8.30 4.01 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 68 M 8.23 4.02 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 69 L 7.99 3.86 0.00 1.74 1.78 0.80 0.38 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 70 K 8.06 3.84 0.00 1.96 1.95 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 71 E 8.26 3.90 0.00 2.11 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 0.00 2.29 2.49 0.00 72 T 7.98 3.83 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 1.21 0.00 0.00 73 I 8.02 3.80 2.12 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 1.71 0.76 1.32 0.00 0.00 74 N 8.38 4.33 0.00 2.94 2.83 0.00 0.00 7.06 7.19 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 75 E 8.25 3.86 0.00 2.08 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 2.28 2.56 0.00 76 E 7.99 3.55 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 2.28 2.23 0.00 77 A 7.44 3.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.04 3.97 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 79 E 7.99 3.88 0.00 2.17 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 2.26 2.41 0.00 80 W 8.09 4.19 0.00 3.66 3.36 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 81 D 8.38 4.58 0.00 3.08 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.04 3.88 0.00 1.89 2.12 0.00 3.22 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 1.61 1.66 0.00 83 L 7.68 4.37 0.00 1.37 1.40 0.86 0.79 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 84 H 7.34 4.55 0.00 2.77 2.98 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.28 0.00 2.14 2.03 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 86 V 8.28 3.73 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 0.82 0.00 0.00 0.97 0.00 0.00 87 A 8.28 4.70 1.24 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 0.00 0.00 88 A 8.49 4.06 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 89 A 8.28 4.39 1.25 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 0.00 0.00 90 P 0.00 4.24 0.00 2.06 2.03 0.00 3.69 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 2.04 2.10 0.00 91 I 8.22 4.02 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 1.36 0.65 0.92 0.00 0.00 92 A 8.27 4.53 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 93 P 0.00 4.41 0.00 2.05 2.00 0.00 3.70 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 2.03 2.09 0.00 94 G 9.05 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 95 Q 7.85 4.74 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 96 M 8.13 4.72 0.00 1.77 2.09 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 97 R 8.56 4.14 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 98 E 8.64 4.35 0.00 2.05 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 2.28 0.00 99 P 0.00 4.27 0.00 1.17 0.49 0.00 3.59 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 0.00 100 R 8.99 4.66 0.00 1.84 2.09 0.00 3.38 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 101 G 9.32 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 0.00 102 S 8.06 4.20 0.00 4.06 4.15 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 0.00 0.00 0.00 0.00 103 D 7.80 4.36 0.00 2.72 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 0.00 104 I 7.14 3.21 1.45 0.00 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.14 -0.25 0.00 0.00 105 A 7.55 2.58 1.20 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 0.00 0.00 0.00 106 G 7.54 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 0.00 107 T 7.90 4.00 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 1.22 0.00 0.00 108 T 7.76 4.57 4.28 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 1.23 0.00 0.00 109 S 7.77 5.07 0.00 4.23 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.52 4.27 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 1.17 0.00 0.00 111 L 8.33 3.85 0.00 1.88 1.65 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.90 3.93 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 113 E 8.10 3.40 0.00 1.75 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 1.98 2.12 0.00 114 Q 7.98 4.17 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 115 I 8.17 3.82 1.92 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 1.42 0.79 0.88 0.00 0.00 116 G 8.20 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 7.92 4.48 0.00 3.49 3.20 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 0.00 118 M 8.22 4.23 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 119 T 7.48 4.47 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 120 H 7.68 4.29 0.00 3.56 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.92 4.87 0.00 2.61 2.67 0.00 0.00 7.02 7.69 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 0.00 122 P 0.00 4.67 0.00 2.26 2.07 0.00 3.91 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 2.03 1.99 0.00 123 P 0.00 4.61 0.00 2.24 2.26 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 124 I 8.47 4.34 1.84 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 1.36 0.58 0.80 0.00 0.00 125 P 0.00 4.62 0.00 2.23 2.21 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 126 V 7.53 3.42 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 0.44 0.00 0.00 1.05 0.00 0.00 127 G 7.84 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 0.00 128 E 7.98 3.91 0.00 2.15 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 2.37 2.36 0.00 129 I 7.51 3.40 1.41 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.08 0.00 0.00 130 Y 7.67 3.45 0.00 2.65 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 0.00 131 K 7.80 3.83 0.00 2.00 1.89 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.50 7.81 132 R 8.00 3.95 0.00 2.09 2.11 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 133 W 7.87 4.44 0.00 3.62 3.15 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 0.00 0.00 0.00 0.00 134 I 7.84 3.56 1.80 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.34 0.27 0.00 0.00 135 I 7.98 3.62 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.94 0.00 0.00 136 L 8.11 4.14 0.00 1.92 1.74 1.01 0.85 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 0.00 137 G 8.33 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 0.00 138 L 8.41 3.91 0.00 1.74 1.75 0.53 0.85 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 0.00 139 N 8.02 4.30 0.00 2.98 2.92 0.00 0.00 7.05 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 0.00 140 K 7.70 4.12 0.00 1.86 1.94 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 141 I 7.77 4.03 1.80 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.49 0.88 0.00 0.00 142 V 8.17 4.36 2.23 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 1.50 0.00 0.00 1.05 0.00 0.00 143 R 7.57 4.06 0.00 2.00 2.03 0.00 3.17 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 144 M 8.12 4.32 0.00 1.76 1.97 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 145 Y 7.86 4.46 0.00 3.21 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 0.00 146 S 8.19 4.34 0.00 4.04 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