NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4169 8.1927 115.2913 58.4718 64.3263 175.6717 2 N 4.4622 8.0659 117.8241 55.0326 39.2545 174.2974 3 I 3.9914 8.4904 118.4308 62.9932 39.8281 175.1539 4 I 4.1038 7.0308 119.5874 61.2587 39.1646 176.5479 5 K 3.9522 8.6773 119.5324 58.6145 32.6454 178.4382 6 Q 4.8217 8.5018 120.8226 58.3718 28.9780 177.3774 7 L 4.9890 7.7591 117.9858 55.9831 41.8805 178.0129 8 E 4.4062 7.8175 118.6494 58.0759 30.5640 177.7979 9 Q 4.0235 8.5477 116.5063 57.7892 28.9373 177.3445 10 E 4.2441 8.2388 116.6746 57.0972 30.7478 177.8458 11 Q 4.1200 7.8321 117.2899 57.4725 30.0503 176.0947 12 M 3.5948 8.4472 117.3400 55.5467 32.3137 176.3199 13 K 4.1328 8.0448 123.1872 56.7495 33.6174 176.8586 14 Q 4.2810 8.5095 120.0407 56.2407 29.6279 176.0994 15 D 4.6610 7.5725 119.8845 52.4506 39.6686 175.2944 16 V 4.2770 7.0667 112.6957 58.6588 35.8245 174.3546 17 P 4.3647 0.0000 0.0000 61.4612 32.7541 174.9729 18 S 4.2135 7.9319 112.7388 59.1197 62.9690 171.3996 19 F 5.1991 7.1283 117.0154 58.9300 42.4790 173.2464 20 R 4.6780 7.8208 123.7024 56.1897 31.8078 173.1066 21 P 4.8794 0.0000 0.0000 63.0228 30.7829 177.2574 22 G 4.0929 8.2013 106.9288 46.1055 0.0000 173.5070 23 D 4.7435 8.0902 119.4948 55.2474 41.4509 177.0652 24 T 4.5727 8.9718 116.4708 64.8977 69.0219 173.5698 25 V 3.3414 8.7515 120.4113 59.9008 31.9652 171.6521 26 E 4.8257 8.0316 122.6757 53.9446 31.1410 173.5901 27 V 3.7088 8.5321 125.9835 62.4976 32.7604 174.5971 28 K 4.9250 8.5544 128.3845 55.2727 33.2226 175.7986 29 V 5.2590 8.7443 118.8538 58.4037 34.9678 177.4073 30 W 4.8999 8.4298 121.8773 58.5263 29.8760 174.0017 31 V 4.4179 8.9295 119.3446 63.0135 37.0534 174.9480 32 V 3.7755 8.0700 119.6859 61.5666 33.0700 174.4890 33 E 3.6221 8.5525 117.1742 56.7763 30.8991 174.6597 34 G 3.7991 9.4149 100.1897 45.7757 0.0000 173.7448 35 S 4.3766 8.8092 120.4724 59.1020 64.6633 174.5923 36 K 4.4190 7.4537 120.1801 56.7137 34.6011 175.3602 37 K 4.7142 7.7143 109.3463 57.3997 33.4353 175.5381 38 R 4.1618 7.6111 120.5181 56.5632 31.4481 176.5924 39 L 4.8601 8.1888 122.4964 54.4818 44.2768 176.7191 40 Q 4.4311 9.4368 128.7932 55.6366 30.3241 174.6353 41 A 5.1357 8.5986 127.1608 50.7446 21.6522 176.6717 42 F 4.4799 9.2708 121.7898 56.4998 41.9697 173.2332 43 E 4.5527 8.7122 125.9812 55.7229 29.9901 175.6542 44 G 4.5496 8.6287 114.9539 44.7128 0.0000 170.8391 45 V 4.9885 8.5117 121.1656 61.2785 35.0513 175.9323 46 V 4.2602 8.3505 122.3792 62.0401 31.4980 175.2578 47 I 4.2428 8.6256 118.0506 62.0289 39.8151 175.7987 48 A 4.7756 7.2690 123.0624 50.1222 21.3399 175.8588 49 I 4.7597 8.0250 118.1029 58.3330 41.1310 173.4518 50 R 4.0682 9.2112 120.8003 55.5408 30.4846 177.6316 51 N 4.2394 10.1618 107.2499 53.0448 33.9685 174.5374 52 R 4.5791 8.4708 112.6360 56.5822 34.0456 177.5190 53 G 3.9642 8.1305 106.0714 45.4562 0.0000 175.4196 54 L 4.1093 8.7999 122.6248 58.2703 41.9651 177.2946 55 H 4.6140 7.7439 115.2823 55.3796 29.5428 174.5179 56 S 4.7575 8.1268 117.3757 57.9211 67.2478 174.0973 57 A 5.1147 8.1496 122.8395 50.4878 22.3987 176.3204 58 F 4.3461 7.7441 115.5450 57.2340 42.6296 172.9303 59 T 3.4057 8.0011 120.5786 63.3893 66.2527 170.3110 60 V 4.8349 8.6472 126.6115 61.0180 34.5739 174.4328 61 R 4.8763 8.8483 126.8692 55.4480 31.3309 175.0312 62 K 4.0788 8.8804 123.1494 57.4160 33.8595 174.9044 63 I 3.4580 7.7618 120.2078 62.4623 34.3332 174.6706 64 S 4.6213 7.6297 125.6452 58.1651 62.3017 178.1492 65 N 4.5753 9.0865 126.1303 54.7042 35.5213 175.3040 66 G 4.0065 8.0776 103.5086 45.7001 0.0000 171.1652 67 E 4.5442 7.7539 118.4397 53.6945 32.0737 175.6490 68 G 3.7425 8.8746 113.5477 46.0493 0.0000 172.5495 69 V 4.6507 8.3877 117.1658 59.5698 35.5987 174.2670 70 E 5.1752 8.6350 122.8317 54.7106 32.7619 174.3624 71 R 4.2838 8.6447 126.3516 54.4299 33.5960 174.3309 72 V 4.2938 7.8810 119.3037 59.6030 32.5926 175.4695 73 F 4.1857 7.9387 124.5760 56.8700 40.5058 175.6860 74 Q 4.5657 8.5813 121.4311 57.2815 26.6063 177.8281 75 T 3.8674 6.3950 116.7314 64.4510 70.0551 174.8600 76 H 4.8902 7.8733 115.2023 56.0682 29.5302 174.8244 77 S 4.6726 8.0925 114.7220 55.8319 63.3227 172.8824 78 P 3.4041 0.0000 0.0000 65.5254 31.4071 177.9321 79 V 3.3207 7.3191 109.9235 61.7456 31.7634 178.1571 80 V 3.7172 8.3977 121.3148 61.9538 33.3416 178.5278 81 D 3.8950 6.9040 117.5281 55.2187 41.6757 176.6244 82 S 4.5957 6.5847 116.1461 57.3295 66.1150 171.9858 83 I 4.0879 7.5659 114.8411 60.8351 39.3921 173.5269 84 S 4.5853 8.0653 129.5527 58.0461 64.8262 173.7063 85 V 3.9863 7.9795 112.3669 62.3502 34.3795 177.0349 86 K 4.3223 8.7369 122.1385 56.6192 30.7645 175.2133 87 R 4.7491 7.3717 116.6841 54.9597 33.6845 172.9966 88 R 5.4380 8.2439 122.5066 53.9901 32.0225 175.2449 89 G 4.4583 8.5924 107.2345 44.3107 0.0000 171.6109 90 A 4.4477 9.2879 125.6609 51.4234 19.2805 176.9776 91 V 4.1069 8.3514 121.2996 64.0624 33.8310 176.0493 92 R 3.7177 8.6036 115.4142 56.2893 27.3349 174.0244 93 K 4.2751 7.4405 115.4426 56.2611 35.2739 173.5661 94 A 4.5260 8.5736 122.8876 52.1112 20.8136 176.8429 95 K 4.8747 7.6236 113.3274 53.7967 33.6875 177.2788 96 L 4.7347 7.6627 128.8029 54.2023 41.0493 177.7725 97 Y 4.3881 7.2306 117.1427 60.4922 38.7173 177.8274 98 Y 4.7638 7.6683 115.9096 57.3681 37.4022 176.2661 99 L 4.3964 7.7774 120.3607 55.3801 43.2128 178.1943 100 R 4.2545 7.9482 116.0472 57.5231 30.4600 176.7960 101 E 4.7502 7.6649 116.8452 54.5717 29.8037 173.8943 102 R 4.4198 6.8935 116.6259 52.6993 35.8597 177.5041 103 T 3.5963 7.6030 110.6628 63.3601 67.9650 171.1201 104 G 3.8431 7.9942 110.4134 45.6200 0.0000 174.3195 105 K 4.2340 8.7852 124.6521 56.6934 31.2151 176.9679 106 A 4.4013 7.7982 118.6854 53.2860 20.0274 177.4442 107 A 4.2653 8.8633 117.5501 52.7744 19.1017 177.9984 108 R 3.9876 7.8934 115.1914 56.5981 30.5855 175.9639 109 I 4.6012 8.0114 114.3196 58.6782 40.1855 175.1392 110 K 4.0794 8.8788 127.0832 56.3794 32.7579 176.5043 111 E 3.8791 9.0307 123.4274 56.6885 29.6032 176.2245 112 R 3.6411 9.5519 121.1649 54.6025 30.5678 172.5285 113 L 3.5429 7.8771 132.8941 54.7346 42.2649 174.5180 114 N 4.6084 8.6579 122.0671 53.4067 38.9746 174.6816 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 S 8.19 4.42 0.00 3.88 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 2 N 8.07 4.46 0.00 2.79 2.83 0.00 0.00 6.88 7.06 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 3 I 8.49 3.99 1.87 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 1.42 1.23 0.92 0.00 0.00 4 I 7.03 4.10 1.95 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 1.19 0.73 0.93 0.00 0.00 5 K 8.68 3.95 0.00 1.97 2.03 0.00 1.73 0.00 0.00 1.99 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 Q 8.50 4.82 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 7 L 7.76 4.99 0.00 1.64 1.77 0.96 1.00 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 8 E 7.82 4.41 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 2.32 2.43 0.00 9 Q 8.55 4.02 0.00 2.18 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.66 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 10 E 8.24 4.24 0.00 2.19 2.47 0.00 0.00 0.00 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 2.26 0.00 11 Q 7.83 4.12 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 12 M 8.45 3.59 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 13 K 8.04 4.13 0.00 1.80 1.73 0.00 1.60 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 14 Q 8.51 4.28 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.45 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 15 D 7.57 4.66 0.00 2.57 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 16 V 7.07 4.28 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 0.82 0.00 0.00 0.95 0.00 0.00 17 P 0.00 4.36 0.00 1.91 1.90 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.93 0.00 18 S 7.93 4.21 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.13 5.20 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.82 4.68 0.00 2.12 1.95 0.00 3.26 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 21 P 0.00 4.88 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 22 G 8.20 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 23 D 8.09 4.74 0.00 2.84 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 24 T 8.97 4.57 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 1.44 0.00 0.00 25 V 8.75 3.34 2.40 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 1.30 0.00 0.00 1.04 0.00 0.00 26 E 8.03 4.83 0.00 2.03 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 2.30 2.31 0.00 27 V 8.53 3.71 1.60 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 0.07 0.00 0.00 0.68 0.00 0.00 28 K 8.55 4.92 0.00 1.67 1.76 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 29 V 8.74 5.26 2.28 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 0.90 0.00 0.00 1.21 0.00 0.00 30 W 8.43 4.90 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.93 4.42 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 0.77 0.00 0.00 1.11 0.00 0.00 32 V 8.07 3.78 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 0.98 0.00 0.00 0.89 0.00 0.00 33 E 8.55 3.62 0.00 2.05 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 0.00 2.25 2.29 0.00 34 G 9.41 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 35 S 8.81 4.38 0.00 3.85 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 36 K 7.45 4.42 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.35 7.81 37 K 7.71 4.71 0.00 1.48 1.54 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.21 7.81 38 R 7.61 4.16 0.00 1.87 1.99 0.00 3.17 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 39 L 8.19 4.86 0.00 1.67 1.62 1.26 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.44 4.43 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 41 A 8.60 5.14 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 42 F 9.27 4.48 0.00 3.29 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 43 E 8.71 4.55 0.00 1.87 1.90 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 2.32 2.27 0.00 44 G 8.63 4.55 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 45 V 8.51 4.99 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 1.00 0.00 0.00 0.96 0.00 0.00 46 V 8.35 4.26 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 0.41 0.00 0.00 0.93 0.00 0.00 47 I 8.63 4.24 1.77 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 1.35 0.94 0.94 0.00 0.00 48 A 7.27 4.78 1.41 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 0.00 0.00 49 I 8.03 4.76 1.83 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 1.42 0.67 0.91 0.00 0.00 50 R 9.21 4.07 0.00 1.89 1.28 0.00 3.44 0.00 0.00 3.82 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 51 N 10.16 4.24 0.00 2.95 3.02 0.00 0.00 6.57 7.66 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 52 R 8.47 4.58 0.00 2.04 1.91 0.00 3.40 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 53 G 8.13 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 54 L 8.80 4.11 0.00 1.54 1.49 0.95 0.92 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 55 H 7.74 4.61 0.00 3.19 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.13 4.76 0.00 3.67 3.76 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 57 A 8.15 5.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.74 4.35 0.00 2.92 2.48 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 59 T 8.00 3.41 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 1.23 0.00 0.00 60 V 8.65 4.83 2.27 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 1.22 0.00 0.00 1.25 0.00 0.00 61 R 8.85 4.88 0.00 1.83 1.86 0.00 3.50 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 62 K 8.88 4.08 0.00 1.81 1.71 0.00 0.99 0.00 0.00 1.12 0.00 0.00 2.65 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.38 7.81 63 I 7.76 3.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.91 0.00 0.00 64 S 7.63 4.62 0.00 3.82 2.97 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 0.00 0.00 0.00 65 N 9.09 4.58 0.00 2.82 2.77 0.00 0.00 6.72 7.95 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 66 G 8.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.75 4.54 0.00 2.00 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 2.21 2.36 0.00 68 G 8.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.39 4.65 2.20 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 0.86 0.00 0.00 1.05 0.00 0.00 70 E 8.64 5.18 0.00 1.92 1.74 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 2.15 2.31 0.00 71 R 8.64 4.28 0.00 1.47 0.66 0.00 2.80 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 72 V 7.88 4.29 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 0.65 0.00 0.00 0.75 0.00 0.00 73 F 7.94 4.19 0.00 2.09 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 4.57 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.40 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 75 T 6.39 3.87 4.59 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 1.03 0.00 0.00 76 H 7.87 4.89 0.00 3.28 3.26 0.00 5.73 0.00 0.00 0.00 0.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.09 4.67 0.00 3.85 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 78 P 0.00 3.40 0.00 2.08 1.95 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 79 V 7.32 3.32 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 0.84 0.00 0.00 0.95 0.00 0.00 80 V 8.40 3.72 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 0.72 0.00 0.00 0.95 0.00 0.00 81 D 6.90 3.89 0.00 2.46 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 0.00 0.00 0.00 0.00 82 S 6.58 4.60 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 83 I 7.57 4.09 1.73 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.72 0.00 0.00 84 S 8.07 4.59 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.98 3.99 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 0.75 0.00 0.00 0.94 0.00 0.00 86 K 8.74 4.32 0.00 1.93 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.47 7.81 87 R 7.37 4.75 0.00 1.85 1.73 0.00 3.16 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 88 R 8.24 5.44 0.00 1.98 2.04 0.00 3.13 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.00 89 G 8.59 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 0.00 0.00 0.00 0.00 90 A 9.29 4.45 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 91 V 8.35 4.11 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 0.93 0.00 0.00 0.99 0.00 0.00 92 R 8.60 3.72 0.00 1.99 2.00 0.00 3.31 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 93 K 7.44 4.28 0.00 1.69 1.68 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.43 1.40 7.81 94 A 8.57 4.53 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 95 K 7.62 4.87 0.00 1.43 0.74 0.00 1.57 0.00 0.00 2.33 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.02 7.81 96 L 7.66 4.73 0.00 1.57 1.20 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.23 4.39 0.00 3.14 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 98 Y 7.67 4.76 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.78 4.40 0.00 1.64 1.55 0.76 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.95 4.25 0.00 1.94 1.99 0.00 3.27 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 101 E 7.66 4.75 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 102 R 6.89 4.42 0.00 1.70 1.70 0.00 3.68 0.00 0.00 3.26 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 103 T 7.60 3.60 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 1.21 0.00 0.00 104 G 7.99 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 0.00 105 K 8.79 4.23 0.00 1.94 2.00 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 A 7.80 4.40 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 0.00 107 A 8.86 4.27 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 0.00 108 R 7.89 3.99 0.00 1.82 1.91 0.00 3.16 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 109 I 8.01 4.60 1.89 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 1.34 0.67 0.98 0.00 0.00 110 K 8.88 4.08 0.00 1.79 1.81 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 111 E 9.03 3.88 0.00 1.95 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 2.29 2.41 0.00 112 R 9.55 3.64 0.00 1.74 1.90 0.00 3.45 0.00 0.00 3.16 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 113 L 7.88 3.54 0.00 1.89 1.76 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.66 4.61 0.00 2.71 2.66 0.00 0.00 7.02 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