NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6583 8.0632 120.4247 55.5021 34.2530 173.9335 2 K 4.8934 8.7193 122.4539 53.6554 37.0634 173.8310 3 K 4.9056 10.3760 127.4633 54.8586 34.5591 174.6681 4 I 4.6192 8.4349 129.8857 60.7630 38.7814 174.9416 5 E 5.1209 9.6704 126.7505 54.4819 32.4514 174.7517 6 A 5.0005 9.1205 127.3587 50.1631 21.7458 175.3171 7 I 4.6844 8.6706 125.1928 60.8416 38.1696 175.3544 8 I 4.8877 8.8465 121.0015 58.2841 41.5213 175.1965 9 R 4.1820 8.5503 121.8223 56.7264 30.6445 175.6088 10 P 4.2430 0.0000 0.0000 65.9586 31.2479 178.5847 11 F 4.4619 8.1895 111.1422 59.7534 38.2213 177.2223 12 K 3.6872 7.5324 118.8800 58.4777 31.5713 179.0909 13 L 3.8023 7.2824 120.0904 58.2536 41.9683 178.8224 14 D 4.3313 8.0753 118.1886 57.4393 40.8665 178.2101 15 E 3.9065 8.2318 119.7604 59.1473 29.5222 179.1357 16 V 3.4729 7.5984 117.7366 65.8083 31.7375 177.3577 17 K 3.7861 8.2978 119.7552 60.0028 31.8802 178.0674 18 I 3.6015 7.9948 119.4278 64.9457 37.1147 177.8332 19 A 3.9738 8.1057 120.9047 55.4081 18.2428 179.7614 20 L 3.9621 8.1591 117.4474 57.8362 41.7715 179.7935 21 V 3.6089 8.0081 118.3693 66.0330 31.2198 177.8512 22 N 4.3483 8.2677 115.4225 56.1441 38.5303 176.6652 23 A 4.2046 7.8980 119.5172 52.0907 19.8196 176.4009 24 G 3.5377 7.9544 104.6293 45.8946 0.0000 173.6786 25 I 4.5015 7.7686 118.1642 59.6133 40.0857 176.6370 26 V 4.0522 8.6089 124.1370 62.7678 32.5340 176.4078 27 G 4.1852 7.5456 107.9418 43.4237 0.0000 171.7601 28 M 4.9832 8.0559 120.3623 54.6696 35.3752 173.7474 29 T 4.7775 8.8778 114.5758 60.1130 72.4947 172.9550 30 V 5.1142 8.5170 117.3487 59.6665 34.8285 175.0594 31 S 4.7795 8.9682 117.7379 56.5970 66.8552 172.6136 32 E 4.7013 8.7312 121.1980 55.8936 30.1500 176.0890 33 V 4.5247 8.5486 123.2237 61.2468 35.5545 174.0277 34 R 4.9606 8.6009 124.8164 54.9903 32.2313 175.5238 35 G 4.6537 9.2409 109.3192 45.6792 0.0000 170.9318 36 F 4.9336 8.2204 110.6385 56.3640 39.8675 174.8153 37 G 3.6329 8.7237 110.5318 42.4774 0.0000 169.1417 38 R 3.8791 8.3314 126.6037 57.2927 29.8528 177.0094 39 Q 4.1752 8.6361 127.1999 55.6587 26.8846 174.2167 40 K 3.8783 9.2781 130.7919 55.0924 29.1488 176.0141 41 G 4.0800 8.1646 107.3868 46.0932 0.0000 173.7217 42 Q 4.2979 8.0067 118.8186 55.8826 29.4790 175.0671 43 T 4.8576 8.1422 109.3378 60.2448 70.8265 173.2953 44 E 4.7789 9.1382 124.9415 54.8037 32.0303 174.9987 45 R 4.9099 8.5774 124.7061 55.8459 32.3168 175.8131 46 Y 4.4491 9.3049 122.1764 58.0652 42.0966 174.9513 47 R 3.7143 9.4048 128.9235 57.2497 27.6212 177.0682 48 G 4.0496 8.1460 104.4158 45.3209 0.0000 172.9729 49 S 4.7196 7.6731 115.2714 56.7730 65.4898 173.2395 50 E 4.7157 8.2985 122.6030 56.0128 30.3410 175.5382 51 Y 4.8456 9.0788 121.7014 56.8137 41.6846 175.3339 52 T 4.3353 9.5416 112.5339 62.5661 70.4388 175.9072 53 V 3.9649 7.2941 120.7427 59.8928 33.2872 175.7683 54 E 3.8352 7.6271 118.1991 55.6739 30.3011 176.2083 55 F 4.5246 8.2576 119.2088 57.5546 39.8383 174.8364 56 L 4.3032 8.8457 122.6573 52.2484 45.4953 175.5995 57 Q 4.4708 7.8392 122.8975 56.6568 29.9522 175.3168 58 K 4.7711 9.8016 126.2586 55.3720 37.3361 174.4214 59 L 4.9971 8.5023 120.1195 53.6360 45.6278 175.9901 60 K 4.6003 8.7694 126.4882 55.9159 33.6990 175.2465 61 L 5.0860 9.0675 129.3026 53.3895 45.1457 174.6022 62 E 5.2874 9.6252 126.9090 54.5604 32.0602 175.2537 63 I 4.9377 8.5904 117.8471 58.9468 41.4079 174.3397 64 V 4.8538 8.3719 123.3195 61.2825 33.4537 174.8775 65 V 4.5651 8.9840 127.1827 60.6911 35.3751 174.6507 66 E 4.3434 8.8202 126.1824 56.3677 30.3454 177.5691 67 D 4.3957 9.0745 122.9534 57.7449 41.1020 179.3287 68 A 4.0381 8.0332 122.5806 55.4902 18.8720 179.6880 69 Q 4.1758 8.6430 118.0976 59.3185 28.1009 182.0716 70 V 3.7424 7.2120 117.7233 66.9746 31.3113 177.4163 71 D 4.3565 8.1706 117.7666 57.8758 40.9367 178.8091 72 T 4.5071 7.8338 112.0221 63.4962 69.2895 177.6837 73 V 3.6780 7.8456 123.3214 65.9457 31.6114 183.7765 74 I 3.8728 7.7611 120.6317 64.3767 36.6593 177.9761 75 D 4.3829 7.8155 119.5276 57.6980 40.5837 179.4460 76 K 4.0859 7.8962 118.3168 59.4555 31.9555 179.3838 77 I 3.6406 7.8812 120.1885 64.2216 36.8964 178.2787 78 V 3.5141 8.1549 118.9540 66.1678 31.0905 177.8482 79 A 4.0027 7.5766 118.1497 55.4521 18.3170 179.2812 80 A 4.0642 7.6873 117.1303 54.4728 18.5753 178.7169 81 A 4.2796 8.0970 116.7890 51.1656 19.7793 176.8161 82 R 4.5234 7.1698 118.8858 55.2338 31.1012 176.0576 83 T 4.4128 9.9622 115.1556 60.7943 70.3750 175.6596 84 G 3.9614 8.7023 109.2145 45.4416 0.0000 173.0724 85 E 4.4743 7.7396 119.0502 54.4582 30.8411 176.0777 86 I 3.5488 8.3164 122.3555 63.9237 37.3284 176.3669 87 G 4.1558 8.7987 114.2120 47.2067 0.0000 174.2292 88 D 4.3182 8.0459 121.1759 55.2877 41.2276 175.3080 89 G 4.2551 7.8467 102.2205 44.4992 0.0000 172.4662 90 K 4.5074 8.3265 116.1840 54.4340 36.3193 175.6434 91 I 4.7147 7.8143 123.1044 59.5248 39.5569 175.0027 92 F 4.9772 9.3046 124.8613 55.6007 42.3939 174.0877 93 V 5.0128 8.6548 123.0828 61.1643 33.3862 174.6473 94 S 4.9743 8.8494 121.6132 55.6482 66.8609 171.5351 95 P 4.7880 0.0000 0.0000 62.8653 32.2071 175.6169 96 V 4.3527 8.6519 121.8098 61.6618 33.5877 175.1548 97 D 4.5405 8.9214 127.6597 56.8028 41.3735 175.9326 98 Q 5.2797 7.5114 116.7463 54.3445 32.8328 174.2930 99 T 4.5453 8.5103 120.3852 62.0827 72.1163 172.6093 100 I 4.8863 8.2792 127.6191 59.3105 39.3075 175.9313 101 R 4.1102 8.4578 126.7198 56.1796 30.5597 178.1349 102 I 3.7698 8.6669 127.3981 64.8691 37.7145 178.2555 103 R 4.0648 8.1437 117.6806 58.7304 29.0828 178.5544 104 T 4.3353 8.7306 105.7044 62.6607 70.4217 173.9617 105 G 3.1922 7.7546 114.0463 43.6774 0.0000 172.3779 106 E 3.9696 8.2966 125.3027 57.4778 30.0587 176.8037 107 K 5.0856 8.3485 129.7054 54.0620 33.8790 174.3310 108 N 5.0040 8.3052 115.9919 52.4059 40.0200 174.8943 109 A 4.6122 8.0239 123.7356 51.4668 18.8341 177.7760 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 8.06 4.66 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 2 K 8.72 4.89 0.00 1.66 1.63 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.60 7.81 3 K 10.38 4.91 0.00 1.71 1.69 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 4 I 8.43 4.62 1.88 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 1.23 0.41 0.91 0.00 0.00 5 E 9.67 5.12 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 6 A 9.12 5.00 1.19 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 0.00 0.00 0.00 0.00 0.00 7 I 8.67 4.68 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.99 0.00 0.00 8 I 8.85 4.89 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.86 0.00 0.00 9 R 8.55 4.18 0.00 1.56 1.77 0.00 3.39 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 10 P 0.00 4.24 0.00 2.27 2.22 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 11 F 8.19 4.46 0.00 3.15 3.19 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 0.00 0.00 0.00 12 K 7.53 3.69 0.00 1.56 1.62 0.00 1.71 0.00 0.00 1.38 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 1.09 7.81 13 L 7.28 3.80 0.00 1.75 1.66 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.08 4.33 0.00 2.83 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 15 E 8.23 3.91 0.00 2.05 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 2.30 2.33 0.00 16 V 7.60 3.47 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 1.02 0.00 0.00 0.86 0.00 0.00 17 K 8.30 3.79 0.00 1.96 1.94 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 18 I 7.99 3.60 2.14 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 1.46 0.50 0.94 0.00 0.00 19 A 8.11 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 20 L 8.16 3.96 0.00 1.98 1.72 0.95 0.68 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 21 V 8.01 3.61 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 1.03 0.00 0.00 0.97 0.00 0.00 22 N 8.27 4.35 0.00 2.88 2.87 0.00 0.00 7.04 8.18 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 23 A 7.90 4.20 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 24 G 7.95 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 25 I 7.77 4.50 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 1.55 0.96 0.91 0.00 0.00 26 V 8.61 4.05 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 0.72 0.00 0.00 0.93 0.00 0.00 27 G 7.55 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.06 4.98 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 29 T 8.88 4.78 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 30 V 8.52 5.11 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 0.77 0.00 0.00 0.94 0.00 0.00 31 S 8.97 4.78 0.00 3.82 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 32 E 8.73 4.70 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 33 V 8.55 4.52 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 1.01 0.00 0.00 0.94 0.00 0.00 34 R 8.60 4.96 0.00 1.57 1.90 0.00 3.17 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 35 G 9.24 4.65 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 0.00 0.00 0.00 36 F 8.22 4.93 0.00 2.90 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 37 G 8.72 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.33 3.88 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 39 Q 8.64 4.18 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.06 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 40 K 9.28 3.88 0.00 1.85 1.70 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 0.98 7.81 41 G 8.16 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 42 Q 8.01 4.30 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 43 T 8.14 4.86 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 1.22 0.00 0.00 44 E 9.14 4.78 0.00 2.13 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 2.37 2.62 0.00 45 R 8.58 4.91 0.00 1.82 1.91 0.00 3.32 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 46 Y 9.30 4.45 0.00 3.16 3.07 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 47 R 9.40 3.71 0.00 1.89 1.83 0.00 3.23 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 48 G 8.15 4.05 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 0.00 49 S 7.67 4.72 0.00 3.62 3.31 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 50 E 8.30 4.72 0.00 1.72 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 2.26 2.28 0.00 51 Y 9.08 4.85 0.00 3.04 2.73 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 52 T 9.54 4.34 4.25 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 1.22 0.00 0.00 53 V 7.29 3.96 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 0.65 0.00 0.00 0.66 0.00 0.00 54 E 7.63 3.84 0.00 1.91 1.88 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 2.26 2.37 0.00 55 F 8.26 4.52 0.00 2.84 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 56 L 8.85 4.30 0.00 1.37 0.88 1.04 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.84 4.47 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 58 K 9.80 4.77 0.00 1.57 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.62 7.81 59 L 8.50 5.00 0.00 1.73 1.52 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.77 4.60 0.00 1.92 1.69 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 L 9.07 5.09 0.00 1.75 1.66 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.63 5.29 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 2.24 2.23 0.00 63 I 8.59 4.94 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 1.12 0.82 0.95 0.00 0.00 64 V 8.37 4.85 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 0.94 0.00 0.00 65 V 8.98 4.57 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 0.92 0.00 0.00 0.93 0.00 0.00 66 E 8.82 4.34 0.00 2.04 1.86 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 2.40 2.28 0.00 67 D 9.07 4.40 0.00 2.70 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 68 A 8.03 4.04 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 69 Q 8.64 4.18 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 70 V 7.21 3.74 2.17 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 0.96 0.00 0.00 0.99 0.00 0.00 71 D 8.17 4.36 0.00 2.79 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 72 T 7.83 4.51 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 73 V 7.85 3.68 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 0.81 0.00 0.00 0.93 0.00 0.00 74 I 7.76 3.87 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 0.87 0.00 0.00 75 D 7.82 4.38 0.00 2.74 2.73 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 76 K 7.90 4.09 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 77 I 7.88 3.64 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.87 0.00 0.00 78 V 8.15 3.51 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 0.98 0.00 0.00 0.92 0.00 0.00 79 A 7.58 4.00 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 80 A 7.69 4.06 1.34 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 81 A 8.10 4.28 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 82 R 7.17 4.52 0.00 1.91 1.83 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 83 T 9.96 4.41 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 1.41 0.00 0.00 84 G 8.70 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 85 E 7.74 4.47 0.00 2.05 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 2.33 2.45 0.00 86 I 8.32 3.55 1.92 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 1.37 0.49 0.95 0.00 0.00 87 G 8.80 4.16 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 0.00 0.00 0.00 88 D 8.05 4.32 0.00 2.66 2.73 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 89 G 7.85 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 90 K 8.33 4.51 0.00 1.51 0.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.34 7.81 91 I 7.81 4.71 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 0.91 0.00 0.00 92 F 9.30 4.98 0.00 2.97 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 93 V 8.65 5.01 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 8.85 4.97 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.79 0.00 2.10 2.09 0.00 3.71 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 1.99 1.96 0.00 96 V 8.65 4.35 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 0.80 0.00 0.00 0.92 0.00 0.00 97 D 8.92 4.54 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.51 5.28 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 99 T 8.51 4.55 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 0.00 100 I 8.28 4.89 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 1.34 0.85 0.91 0.00 0.00 101 R 8.46 4.11 0.00 1.79 1.85 0.00 3.12 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 102 I 8.67 3.77 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 1.27 0.46 0.91 0.00 0.00 103 R 8.14 4.06 0.00 1.83 1.85 0.00 3.23 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 104 T 8.73 4.34 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 0.00 105 G 7.75 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.30 3.97 0.00 2.06 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 2.38 2.33 0.00 107 K 8.35 5.09 0.00 1.58 1.57 0.00 1.71 0.00 0.00 2.36 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 0.87 7.81 108 N 8.31 5.00 0.00 2.65 2.70 0.00 0.00 6.71 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.02 4.61 1.23 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 0.00 0.00 0.00