NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8688 8.4293 117.8510 55.1593 29.9727 175.8116 6 E 4.5167 8.5690 124.5888 53.3839 31.7519 173.5983 7 T 4.1751 8.7158 111.3326 61.4068 71.7534 176.4542 8 D 4.3798 8.5418 121.2841 57.7348 40.8504 178.9790 9 E 4.0784 8.1952 118.5310 59.4785 29.6326 179.1168 10 E 4.0611 8.2839 118.4780 58.9704 29.6218 179.2065 11 F 4.3057 8.2403 120.4144 61.4164 39.4847 176.7822 12 D 4.5407 8.5382 118.3626 57.6009 40.6275 178.7547 13 A 4.0255 8.2011 121.0042 55.3522 18.4049 179.6288 14 R 3.6811 7.8810 116.6301 59.2497 30.1628 178.6188 15 W 4.0601 7.8978 118.1454 58.8648 29.1593 178.9717 16 V 3.8144 8.2935 118.8680 66.3466 30.8170 178.0605 17 T 3.8538 7.9358 114.3975 66.8189 68.6955 175.3853 18 Y 3.9839 7.6506 120.7169 60.9134 38.5504 178.2768 19 F 4.7030 8.0306 115.8124 59.5385 39.2755 176.6445 20 N 4.8139 7.9234 114.5984 52.3637 39.0377 175.0373 21 K 3.8972 7.2631 122.3486 55.9721 32.6255 174.8865 22 P 4.2271 0.0000 0.0000 65.8665 31.2418 177.5536 23 D 4.8004 7.7765 114.4917 53.0953 39.8969 176.1508 24 I 3.7543 7.4498 120.6313 62.1454 38.4885 175.8912 25 D 4.8194 8.7559 127.7872 51.9528 42.5916 177.3469 26 A 4.0520 8.4615 120.2968 55.0508 18.2195 179.4378 27 W 4.0388 8.3588 126.3077 60.8775 30.9426 177.9878 28 E 4.3717 9.5090 118.8637 59.0988 28.7991 179.2539 29 L 4.2935 7.9927 120.6701 58.4059 42.2550 179.2589 30 R 3.8952 8.0473 118.0202 59.0409 29.9650 178.9047 31 K 3.6918 8.1403 120.0028 59.2428 31.9716 179.0724 32 G 3.7867 8.4065 105.8659 48.3031 0.0000 175.6859 33 M 4.1164 8.3447 121.8038 58.1173 31.7727 178.7267 34 N 4.3168 8.3689 115.9524 56.2729 38.9139 177.4581 35 T 3.9062 7.8087 117.3542 66.3193 68.6387 176.6403 36 L 3.3925 7.7382 122.9177 58.0416 42.0500 178.8151 37 V 3.8522 7.3852 108.7863 62.3501 31.4412 177.1036 38 G 3.5761 7.3818 109.0020 47.0825 0.0000 174.1960 39 Y 4.5847 6.8826 117.0427 57.6813 38.9286 175.7772 40 D 4.6503 8.3173 122.7339 51.1594 39.7086 175.0301 41 L 4.2997 7.0350 119.2322 55.0380 42.8146 174.5680 42 V 4.2465 8.2311 119.8182 60.3289 32.6837 174.0242 43 P 4.4537 0.0000 0.0000 62.3248 32.0868 176.1638 44 E 4.2108 8.7470 120.9766 56.0236 30.2730 176.3779 45 P 4.2783 0.0000 0.0000 65.7699 31.4109 179.1633 46 K 4.0968 8.0753 117.1078 59.9769 32.4814 179.2623 47 I 3.9367 7.9395 121.0577 64.2714 37.0262 178.3617 48 I 3.6061 7.7075 120.2402 64.2028 36.9126 177.4862 49 D 4.2637 8.5211 119.1169 57.5552 41.1328 178.1737 50 A 4.0464 7.9985 120.2567 55.3458 18.4167 179.5145 51 A 3.5642 7.8915 119.1074 54.9844 18.2874 179.8999 52 L 3.8870 8.0775 117.8570 57.9691 41.6036 179.9694 53 R 3.9683 8.0803 117.9390 59.0514 29.9601 178.9310 54 A 4.0503 7.9551 120.6205 55.2609 18.2882 179.4576 55 C 4.1030 7.9779 115.3632 62.8076 28.0899 176.2640 56 R 3.9031 7.8845 120.2509 59.7020 29.5498 178.9076 57 R 3.9652 8.0587 116.2252 58.5200 30.0672 177.9979 58 L 4.4513 7.6439 116.3519 53.3148 42.3674 175.8824 59 N 4.1569 8.1660 115.6453 54.7474 36.5958 174.9406 60 D 4.8211 8.2090 118.2341 52.1952 41.7446 175.4093 61 F 4.2608 8.6985 127.6054 60.7286 39.6974 176.1597 62 A 3.9910 8.2263 120.0076 55.6188 18.1202 179.7076 63 S 4.0516 8.8373 113.5242 61.3948 62.6739 176.7875 64 A 3.8279 7.5062 123.2844 55.0562 18.0888 179.9000 65 V 3.3500 7.1119 116.2642 65.9319 31.6297 178.0043 66 R 4.4097 7.7915 119.8456 58.9977 29.8654 178.5621 67 I 3.6335 7.8205 119.6492 64.3482 36.9332 178.4468 68 L 4.1225 7.6074 119.9893 57.6463 41.4974 179.3773 69 E 3.8332 8.1337 119.0499 59.2658 29.3198 179.7495 70 V 3.6289 7.9665 119.3062 64.5641 31.2013 178.7082 71 V 3.5596 7.3854 118.0324 65.6607 31.7411 177.6317 72 K 4.0065 7.7240 119.3779 59.2969 31.9242 178.3115 73 D 4.2599 8.0528 118.3776 57.3384 40.9771 178.4220 74 K 4.0486 8.0906 117.3039 58.8161 32.3720 178.4987 75 A 4.2424 8.1057 120.2388 51.1888 18.6476 178.7761 76 G 3.8129 8.4151 105.7811 46.2624 0.0000 175.5580 77 P 4.3635 0.0000 0.0000 64.7004 31.8827 176.8113 78 H 4.6135 7.8063 118.1998 54.5373 26.6014 175.9321 79 K 4.1909 8.1474 120.8934 58.0415 32.2971 177.6384 80 E 4.4039 8.0487 116.2645 57.0520 30.7794 178.3673 81 I 3.8539 7.8915 121.5152 64.5450 37.3057 177.2405 82 Y 4.2805 8.0645 119.8340 60.4793 38.8211 176.1496 83 P 4.1195 0.0000 0.0000 65.7050 31.3220 177.9957 84 Y 4.0203 7.5994 118.2864 60.6241 38.7664 178.0618 85 V 3.3160 7.9960 119.2091 66.0424 31.4521 178.0728 86 I 3.4838 7.4835 118.7720 64.0096 37.1138 178.0211 87 Q 3.9473 7.5593 120.1794 59.3415 28.7775 178.2859 88 E 3.8760 7.8113 118.1369 58.3763 29.7102 178.3081 89 L 4.4157 7.5276 117.3798 54.2678 42.0277 177.9454 90 R 3.8243 7.5741 120.2857 59.1781 29.8372 176.2979 91 P 4.2147 0.0000 0.0000 66.0950 31.2949 178.7564 92 T 3.8883 7.7874 113.8506 66.5638 68.3504 176.6975 93 L 3.9937 8.4075 121.3767 57.7067 41.2135 179.4234 94 N 4.2991 8.4071 116.6160 56.2534 38.3479 176.7905 95 E 3.9524 8.1378 119.9121 59.4393 29.6519 178.1342 96 L 4.1828 8.1203 115.9532 55.0996 41.9833 177.3183 97 G 3.7818 7.5789 106.2396 46.5271 0.0000 173.8950 98 I 4.4967 8.0508 121.9467 60.1745 37.1576 176.0813 99 S 4.7678 9.0245 122.6067 57.6457 63.8057 175.2713 100 T 4.2095 8.5362 115.5050 60.8406 70.6202 173.7557 101 P 4.2543 0.0000 0.0000 66.0364 31.1923 178.6963 102 E 4.3720 8.0872 117.8128 59.1628 29.3846 179.1504 103 E 4.0292 7.8055 116.2106 58.4414 29.5826 178.3123 104 L 4.6193 7.4401 116.9382 53.4882 42.4324 176.8547 105 G 3.9187 8.0163 107.0905 46.5017 0.0000 174.7478 106 L 4.2712 8.2745 119.4511 55.3290 42.2532 177.3039 107 D 4.6584 7.9700 118.0732 52.8411 40.0964 175.5505 108 K 4.5341 7.5847 119.5868 55.2381 34.4224 176.7025 109 V 3.7891 8.2841 114.5009 61.7521 31.5001 175.9995 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 5 H 8.43 4.87 0.00 3.14 2.42 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.57 4.52 0.00 2.34 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 2.17 2.42 0.00 7 T 8.72 4.18 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 1.23 0.00 0.00 8 D 8.54 4.38 0.00 2.73 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 9 E 8.20 4.08 0.00 2.09 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 2.43 2.50 0.00 10 E 8.28 4.06 0.00 2.26 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 2.35 2.34 0.00 11 F 8.24 4.31 0.00 3.06 3.22 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 12 D 8.54 4.54 0.00 3.05 2.84 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 13 A 8.20 4.03 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 14 R 7.88 3.68 0.00 2.03 1.81 0.00 2.25 0.00 0.00 2.77 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 15 W 7.90 4.06 0.00 3.33 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 16 V 8.29 3.81 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 1.11 0.00 0.00 1.17 0.00 0.00 17 T 7.94 3.85 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 1.17 0.00 0.00 18 Y 7.65 3.98 0.00 2.70 2.64 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 19 F 8.03 4.70 0.00 3.30 3.22 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 20 N 7.92 4.81 0.00 2.89 2.89 0.00 0.00 6.91 7.76 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 21 K 7.26 3.90 0.00 1.72 1.55 0.00 1.55 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.35 7.81 22 P 0.00 4.23 0.00 2.07 2.13 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 23 D 7.78 4.80 0.00 2.77 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 24 I 7.45 3.75 1.89 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 1.37 0.84 1.01 0.00 0.00 25 D 8.76 4.82 0.00 3.08 2.84 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 26 A 8.46 4.05 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 27 W 8.36 4.04 0.00 3.46 3.39 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 28 E 9.51 4.37 0.00 2.21 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 2.69 2.84 0.00 29 L 7.99 4.29 0.00 1.92 1.96 1.03 1.01 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 30 R 8.05 3.90 0.00 1.81 1.83 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 31 K 8.14 3.69 0.00 0.79 1.54 0.00 1.20 0.00 0.00 1.34 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 32 G 8.41 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 33 M 8.34 4.12 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 34 N 8.37 4.32 0.00 2.62 2.79 0.00 0.00 7.12 7.30 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 35 T 7.81 3.91 4.49 0.00 0.00 0.00 0.00 0.00 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 36 L 7.74 3.39 0.00 1.13 1.51 -0.01 0.89 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 37 V 7.39 3.85 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 0.61 0.00 0.00 0.91 0.00 0.00 38 G 7.38 3.58 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 0.00 0.00 0.00 39 Y 6.88 4.58 0.00 2.94 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 40 D 8.32 4.65 0.00 2.65 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 41 L 7.03 4.30 0.00 1.67 1.49 1.01 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.23 4.25 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 0.90 0.00 0.00 0.95 0.00 0.00 43 P 0.00 4.45 0.00 2.08 1.98 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 44 E 8.75 4.21 0.00 2.09 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 2.49 2.70 0.00 45 P 0.00 4.28 0.00 2.13 2.03 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 46 K 8.08 4.10 0.00 2.03 2.11 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.62 7.81 47 I 7.94 3.94 2.06 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 1.72 0.88 1.14 0.00 0.00 48 I 7.71 3.61 1.96 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 1.76 0.93 0.86 0.00 0.00 49 D 8.52 4.26 0.00 2.81 2.84 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 50 A 8.00 4.05 1.57 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 0.00 0.00 51 A 7.89 3.56 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.89 0.00 1.82 1.68 0.87 1.11 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 R 8.08 3.97 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 54 A 7.96 4.05 1.57 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 0.00 0.00 55 C 7.98 4.10 0.00 3.23 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 56 R 7.88 3.90 0.00 1.97 2.18 0.00 3.19 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 1.65 1.74 0.00 57 R 8.06 3.97 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 58 L 7.64 4.45 0.00 1.84 1.73 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.17 4.16 0.00 2.86 2.90 0.00 0.00 6.63 8.40 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 60 D 8.21 4.82 0.00 2.60 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 61 F 8.70 4.26 0.00 3.19 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 62 A 8.23 3.99 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 63 S 8.84 4.05 0.00 3.92 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 64 A 7.51 3.83 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 0.00 0.00 0.00 0.00 0.00 65 V 7.11 3.35 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 0.97 0.00 0.00 0.46 0.00 0.00 66 R 7.79 4.41 0.00 1.91 1.99 0.00 3.29 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 67 I 7.82 3.63 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.98 0.79 0.00 0.00 68 L 7.61 4.12 0.00 1.79 1.89 0.92 0.91 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 69 E 8.13 3.83 0.00 2.16 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 2.24 2.38 0.00 70 V 7.97 3.63 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 0.76 0.00 0.00 0.87 0.00 0.00 71 V 7.39 3.56 2.30 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 0.92 0.00 0.00 1.01 0.00 0.00 72 K 7.72 4.01 0.00 0.79 1.50 0.00 0.68 0.00 0.00 1.10 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.16 7.81 73 D 8.05 4.26 0.00 2.85 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 74 K 8.09 4.05 0.00 1.89 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.57 7.81 75 A 8.11 4.24 1.48 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 76 G 8.42 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.36 0.00 2.08 2.12 0.00 3.91 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 78 H 7.81 4.61 0.00 3.37 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.15 4.19 0.00 1.77 1.91 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 80 E 8.05 4.40 0.00 2.12 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 0.00 2.32 2.25 0.00 81 I 7.89 3.85 1.94 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 0.73 1.00 0.00 0.00 82 Y 8.06 4.28 0.00 2.92 3.03 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 83 P 0.00 4.12 0.00 2.24 2.11 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 84 Y 7.60 4.02 0.00 2.99 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 85 V 8.00 3.32 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 0.95 0.00 0.00 1.15 0.00 0.00 86 I 7.48 3.48 1.44 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.14 0.71 0.00 0.00 87 Q 7.56 3.95 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 88 E 7.81 3.88 0.00 1.80 1.79 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 1.52 1.75 0.00 89 L 7.53 4.42 0.00 1.59 1.61 0.86 0.52 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 90 R 7.57 3.82 0.00 2.07 1.89 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 P 0.00 4.21 0.00 2.17 2.07 0.00 3.63 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 2.07 2.15 0.00 92 T 7.79 3.89 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 1.20 0.00 0.00 93 L 8.41 3.99 0.00 1.75 1.90 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.41 4.30 0.00 2.96 2.86 0.00 0.00 6.62 8.37 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 95 E 8.14 3.95 0.00 2.01 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 2.34 2.31 0.00 96 L 8.12 4.18 0.00 1.71 1.75 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.58 3.78 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 0.00 0.00 0.00 98 I 8.05 4.50 1.90 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 1.36 0.67 0.83 0.00 0.00 99 S 9.02 4.77 0.00 4.10 3.89 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 0.00 100 T 8.54 4.21 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 101 P 0.00 4.25 0.00 2.17 2.13 0.00 3.75 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 2.10 2.19 0.00 102 E 8.09 4.37 0.00 2.12 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 2.50 2.63 0.00 103 E 7.81 4.03 0.00 2.12 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 0.00 2.38 2.40 0.00 104 L 7.44 4.62 0.00 1.78 1.76 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.02 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 0.00 106 L 8.27 4.27 0.00 1.77 1.72 0.95 0.86 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 0.00 107 D 7.97 4.66 0.00 2.82 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 0.00 108 K 7.58 4.53 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.43 7.81 109 V 8.28 3.79 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 0.66 0.00 0.00 0.92 0.00 0.00