NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6798 8.4093 119.2054 53.5269 40.1224 174.0327 5 M 4.1355 8.3721 122.6481 53.7279 32.7173 174.3533 6 S 4.2840 8.3713 114.6448 57.4389 64.5406 175.8010 7 L 3.5822 8.4131 127.5043 58.3185 41.7481 179.4628 8 Q 4.2289 7.8080 115.6568 58.3175 28.8082 176.6034 9 N 4.6102 7.6406 112.7421 53.2669 39.5489 175.3772 10 A 3.6397 7.2171 123.1955 51.7508 18.7331 178.2432 11 E 3.4050 8.6151 121.5079 58.5602 29.8425 178.4689 12 W 4.9712 6.8363 113.4682 55.6922 29.0768 174.5377 13 Y 5.2215 7.3239 122.5343 56.7867 39.1015 175.2927 14 W 4.3714 9.1464 126.7244 55.2800 30.8578 177.3567 15 G 3.6838 5.3800 110.3205 46.6267 0.0000 175.6016 16 D 4.7256 8.6281 120.4438 52.8958 40.1084 175.1151 17 I 4.3921 6.8680 112.7736 59.3848 40.3049 176.6424 18 S 4.4646 8.1080 116.6573 57.7169 65.3551 175.0968 19 R 3.8650 8.4009 121.6451 59.5119 29.3377 178.1122 20 E 3.8995 8.0604 118.7857 59.1501 29.7174 178.2541 21 E 3.8485 8.3479 119.5715 59.0896 29.6870 178.9277 22 V 3.3558 7.6472 118.2273 65.8781 31.3477 177.3786 23 N 4.1977 7.7771 115.1672 56.8284 38.6248 176.8274 24 E 4.0666 7.7847 118.9561 59.3227 29.3086 179.6252 25 K 3.9001 7.8232 117.6225 58.4892 32.2071 178.3533 26 L 4.5091 7.7176 117.2387 53.1356 41.8835 176.1869 27 R 3.7927 7.1245 121.1755 57.5010 30.2573 175.4928 28 D 4.4419 8.7729 123.4495 55.2967 39.6258 173.1924 29 T 4.3939 7.3209 106.4955 59.4670 70.6422 174.3966 30 A 4.2565 8.1559 125.0028 51.5990 19.2186 176.9383 31 D 4.7533 8.5668 119.8407 56.5403 41.3943 177.7561 32 G 3.9947 9.4441 112.3507 45.1953 0.0000 173.2787 33 T 4.9407 7.9386 117.9848 63.7337 69.5707 173.6835 34 F 5.5442 8.9843 120.2076 56.0540 42.0847 172.7556 35 L 4.8883 8.8010 118.3608 55.0525 44.1817 173.8862 36 V 5.2109 9.6276 120.2431 61.3029 34.6845 174.5093 37 R 5.2828 9.1017 122.7168 54.1662 33.5663 173.9876 38 D 5.0332 8.9853 119.3904 54.0264 41.4268 176.8427 39 A 4.0996 8.3777 124.0935 51.7938 18.5903 177.7195 40 S 4.1676 9.0282 119.0008 61.5109 62.9651 174.8059 41 T 4.6556 7.5975 106.1667 59.8777 71.1522 173.3377 42 K 4.3636 8.4511 118.5316 57.0967 33.4371 177.3208 43 M 4.4508 7.9884 116.2252 55.5089 32.7771 175.8334 44 H 4.9637 8.0921 117.7342 54.2870 30.1047 172.9014 45 G 3.7921 8.1016 108.0730 44.6107 0.0000 172.7126 46 D 4.3102 8.8143 123.0790 56.2226 42.1462 176.0945 47 Y 5.3032 7.6591 113.7586 56.3289 42.3892 174.9678 48 T 5.0383 9.2316 117.9935 61.6776 71.7071 173.1957 49 L 4.6768 8.9960 130.3935 55.0571 43.6115 175.5176 50 T 5.2253 9.0343 123.3706 61.6637 71.2492 173.2046 51 L 5.3526 8.8235 126.3937 53.8268 44.4781 175.2494 52 R 4.8938 8.9649 121.4943 55.2608 31.7716 175.1851 53 K 4.7290 9.0752 127.9739 55.2543 35.9292 176.2367 54 G 3.8865 9.8633 117.3361 46.8617 0.0000 174.3760 55 G 3.8872 8.6905 104.7198 45.5170 0.0000 173.2422 56 N 5.0715 7.9193 116.4328 51.1926 42.1584 172.4793 57 N 5.3276 8.5125 116.3786 51.7299 40.6097 174.7503 58 K 4.4841 9.1348 123.8920 54.7457 34.2976 175.1402 59 L 4.9905 8.4469 125.4275 53.3175 43.5062 176.2708 60 I 4.4359 8.7431 124.0853 59.1172 40.6708 175.0713 61 K 4.3893 8.7813 127.1760 56.4635 32.9527 176.4908 62 I 4.6447 8.7710 125.4666 59.7070 39.6858 174.6994 63 F 5.0317 9.2264 126.2798 56.2942 41.4196 174.6608 64 H 5.5316 8.7779 121.0963 53.5357 32.0450 172.8442 65 R 4.4348 7.9161 124.0936 55.6332 33.9082 174.8876 66 D 4.3238 9.6022 120.3488 55.4402 39.5928 174.2132 67 G 3.9635 8.3869 102.2163 45.2728 0.0000 173.9189 68 K 4.9256 7.9594 118.4407 54.4478 35.6913 174.8534 69 Y 5.8234 8.4798 117.7071 55.1593 41.3547 175.6552 70 G 4.0262 8.0074 109.6590 46.1162 0.0000 173.3953 71 F 4.7161 8.3974 116.8661 59.1246 39.4047 176.1696 72 S 4.6728 7.7420 112.1019 56.9320 65.1451 174.1389 73 D 4.4813 8.5079 121.8219 53.8520 41.1013 174.8965 74 P 4.4367 0.0000 0.0000 62.3220 32.2811 175.8411 75 L 4.4659 8.4052 121.5703 54.5431 41.7520 176.5361 76 T 4.5042 8.5833 112.1961 61.0096 69.7381 173.5116 77 F 4.8889 8.2853 121.8395 56.3669 40.4964 176.9133 78 S 4.5612 9.0399 118.5786 60.0833 63.8507 174.5771 79 S 3.9407 7.5234 114.8254 55.9389 66.4115 175.3630 80 V 3.2085 7.0251 121.7263 65.8682 31.1314 178.1461 81 V 3.9478 7.6411 117.5347 66.2882 31.3880 177.4839 82 E 3.9861 8.4114 119.1277 58.9934 29.2174 178.5481 83 L 2.8676 7.3984 119.3196 57.8267 42.4110 178.6437 84 I 3.5440 7.6393 119.9181 64.5200 36.4610 178.2049 85 N 4.3357 8.4303 117.5255 56.5672 38.3031 176.9527 86 H 4.0858 8.1888 119.7146 58.7240 29.8836 175.9302 87 Y 4.7818 7.4411 117.5619 57.0893 37.7474 177.7230 88 R 4.4397 7.4164 119.4234 57.9752 30.2601 177.1685 89 N 4.9176 7.6157 110.5325 52.4931 39.5708 173.7613 90 E 4.6115 7.6571 119.3921 53.8615 32.6365 174.7513 91 S 4.5075 8.6418 120.2502 58.4649 63.2444 174.3620 92 L 4.3422 8.6477 124.4716 55.3849 41.1167 178.8220 93 A 4.1897 8.0785 122.6961 55.5014 17.9876 179.5838 94 Q 3.9597 8.1067 114.1936 58.9355 28.6269 177.4591 95 Y 4.4770 7.8134 117.9172 58.7332 38.9759 175.5739 96 N 4.6670 7.5554 115.7635 51.9505 42.5424 173.3642 97 P 4.3063 0.0000 0.0000 65.5258 31.5560 177.4586 98 K 4.2335 8.5945 115.8736 57.6150 32.3935 176.8127 99 L 4.6822 7.5578 119.1422 53.9878 40.9875 178.5600 100 D 4.8332 8.0486 119.1766 52.7999 39.5469 175.5238 101 V 4.5063 7.5641 120.0396 60.2177 34.9505 173.4882 102 K 4.6609 8.4459 121.1594 54.7670 35.1967 177.0315 103 L 3.9911 8.6614 122.7054 54.1532 40.0819 177.6211 104 L 3.8680 8.1658 122.3981 56.5028 42.9156 176.4492 105 Y 5.0008 8.3243 119.8040 55.1823 40.5129 173.0069 106 P 3.6991 0.0000 0.0000 62.1691 32.6339 176.6731 107 V 3.9276 8.5708 124.0424 62.4394 31.6506 174.7544 108 S 4.7013 8.6778 123.8023 57.1654 63.1681 174.8863 109 K 3.3542 7.8570 126.4110 58.2199 32.4551 177.2558 110 Y 4.4121 7.1591 116.5458 58.8442 38.3880 175.9426 111 Q 4.2897 7.4742 120.7223 54.7023 27.6103 173.0224 112 Q 4.6272 8.2353 121.2864 53.7164 30.6398 175.3056 113 D 4.7293 8.5615 122.8566 53.2515 42.2959 175.8990 114 Q 4.5208 8.2879 121.3389 53.8137 30.1005 175.9226 115 V 3.6912 8.2849 123.7242 62.6508 32.2407 175.2957 116 V 4.0597 8.2050 126.7426 61.5973 32.4887 174.6792 117 K 4.5606 8.3920 127.3567 54.5592 34.2690 175.5172 118 E 4.2005 8.7407 124.1234 56.6934 29.5357 176.2734 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 4 N 8.41 4.68 0.00 2.69 2.80 0.00 0.00 7.04 6.77 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 5 M 8.37 4.14 0.00 2.23 2.00 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 2.46 2.57 0.00 6 S 8.37 4.28 0.00 3.83 3.69 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 7 L 8.41 3.58 0.00 1.36 1.29 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.81 4.23 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 9 N 7.64 4.61 0.00 2.66 2.84 0.00 0.00 6.94 7.50 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 10 A 7.22 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 11 E 8.62 3.40 0.00 2.11 2.39 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 2.33 2.38 0.00 12 W 6.84 4.97 0.00 3.56 3.23 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 13 Y 7.32 5.22 0.00 2.74 2.77 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 14 W 9.15 4.37 0.00 3.26 3.11 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 15 G 5.38 3.68 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 0.00 0.00 0.00 16 D 8.63 4.73 0.00 2.69 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 17 I 6.87 4.39 1.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 1.13 0.00 0.00 18 S 8.11 4.46 0.00 4.05 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 19 R 8.40 3.86 0.00 1.89 1.95 0.00 3.17 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 20 E 8.06 3.90 0.00 2.05 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 2.35 2.34 0.00 21 E 8.35 3.85 0.00 2.01 1.97 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 2.07 2.17 0.00 22 V 7.65 3.36 2.15 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 0.90 0.00 0.00 0.89 0.00 0.00 23 N 7.78 4.20 0.00 2.94 2.86 0.00 0.00 7.12 7.62 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 24 E 7.78 4.07 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 2.50 2.44 0.00 25 K 7.82 3.90 0.00 1.61 1.59 0.00 0.82 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.31 7.81 26 L 7.72 4.51 0.00 1.64 1.65 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.12 3.79 0.00 1.82 1.88 0.00 3.36 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 28 D 8.77 4.44 0.00 2.83 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 29 T 7.32 4.39 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 1.24 0.00 0.00 30 A 8.16 4.26 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 31 D 8.57 4.75 0.00 2.72 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 32 G 9.44 3.99 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 0.00 0.00 0.00 33 T 7.94 4.94 4.32 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 1.30 0.00 0.00 34 F 8.98 5.54 0.00 3.23 3.09 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 35 L 8.80 4.89 0.00 2.12 1.76 0.86 0.49 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 36 V 9.63 5.21 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 1.41 0.00 0.00 1.07 0.00 0.00 37 R 9.10 5.28 0.00 2.10 2.06 0.00 2.98 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 38 D 8.99 5.03 0.00 2.67 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 39 A 8.38 4.10 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 40 S 9.03 4.17 0.00 3.87 3.98 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 0.00 0.00 0.00 41 T 7.60 4.66 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 42 K 8.45 4.36 0.00 1.75 1.88 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.37 7.81 43 M 7.99 4.45 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 44 H 8.09 4.96 0.00 3.13 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.10 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 46 D 8.81 4.31 0.00 2.34 1.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.66 5.30 0.00 3.05 3.08 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 48 T 9.23 5.04 4.30 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 1.22 0.00 0.00 49 L 9.00 4.68 0.00 1.83 1.70 0.91 0.71 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 50 T 9.03 5.23 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 1.25 0.00 0.00 51 L 8.82 5.35 0.00 1.75 1.75 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.96 4.89 0.00 1.96 2.02 0.00 3.37 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 53 K 9.08 4.73 0.00 1.79 1.56 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 54 G 9.86 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 0.00 0.00 0.00 55 G 8.69 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 0.00 0.00 0.00 56 N 7.92 5.07 0.00 2.85 2.68 0.00 0.00 6.87 6.53 0.00 0.00 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 8.51 5.33 0.00 2.57 2.71 0.00 0.00 6.78 7.61 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 58 K 9.13 4.48 0.00 1.55 1.65 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81 59 L 8.45 4.99 0.00 1.47 1.57 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.74 4.44 1.62 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.62 0.29 0.00 0.00 61 K 8.78 4.39 0.00 1.44 0.96 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 62 I 8.77 4.64 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 1.04 0.00 0.00 63 F 9.23 5.03 0.00 3.09 2.96 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 64 H 8.78 5.53 0.00 3.04 3.28 0.00 5.52 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 65 R 7.92 4.43 0.00 1.80 1.68 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 66 D 9.60 4.32 0.00 2.71 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 67 G 8.39 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 68 K 7.96 4.93 0.00 1.87 1.75 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.47 7.81 69 Y 8.48 5.82 0.00 3.05 2.81 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 70 G 8.01 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 0.00 0.00 0.00 71 F 8.40 4.72 0.00 2.49 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 72 S 7.74 4.67 0.00 4.04 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 73 D 8.51 4.48 0.00 2.67 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 74 P 0.00 4.44 0.00 2.18 2.05 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 75 L 8.41 4.47 0.00 1.70 1.82 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.58 4.50 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 1.16 0.00 0.00 77 F 8.29 4.89 0.00 3.42 3.02 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 78 S 9.04 4.56 0.00 4.08 4.06 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 0.00 0.00 0.00 79 S 7.52 3.94 0.00 3.80 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 80 V 7.03 3.21 1.70 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 1.02 0.00 0.00 0.28 0.00 0.00 81 V 7.64 3.95 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 1.23 0.00 0.00 0.97 0.00 0.00 82 E 8.41 3.99 0.00 2.13 2.18 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 2.62 2.44 0.00 83 L 7.40 2.87 0.00 1.12 1.49 -0.48 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.64 3.54 1.54 0.00 0.00 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 1.27 -0.36 -0.04 0.00 0.00 85 N 8.43 4.34 0.00 2.80 2.89 0.00 0.00 6.73 7.71 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 86 H 8.19 4.09 0.00 3.37 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.44 4.78 0.00 3.07 2.90 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 88 R 7.42 4.44 0.00 1.93 1.96 0.00 3.11 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 89 N 7.62 4.92 0.00 2.63 2.74 0.00 0.00 6.69 7.54 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 90 E 7.66 4.61 0.00 1.77 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 0.00 2.20 2.44 0.00 91 S 8.64 4.51 0.00 3.90 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 92 L 8.65 4.34 0.00 1.85 1.55 0.58 -0.30 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 93 A 8.08 4.19 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 94 Q 8.11 3.96 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.27 1.71 0.00 95 Y 7.81 4.48 0.00 2.99 2.98 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 0.00 0.00 0.00 96 N 7.56 4.67 0.00 2.70 2.60 0.00 0.00 7.13 7.37 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 97 P 0.00 4.31 0.00 2.08 2.11 0.00 3.73 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 2.12 0.00 98 K 8.59 4.23 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.40 7.81 99 L 7.56 4.68 0.00 1.56 1.53 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.05 4.83 0.00 2.67 2.60 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 0.00 101 V 7.56 4.51 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 0.59 0.00 0.00 0.91 0.00 0.00 102 K 8.45 4.66 0.00 1.57 1.93 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.43 7.81 103 L 8.66 3.99 0.00 1.10 0.13 0.31 0.25 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 0.00 104 L 8.17 3.87 0.00 0.79 0.44 0.80 0.67 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 0.00 105 Y 8.32 5.00 0.00 2.93 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 0.00 106 P 0.00 3.70 0.00 2.14 1.94 0.00 3.95 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 2.24 0.00 107 V 8.57 3.93 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 0.88 0.00 0.00 0.91 0.00 0.00 108 S 8.68 4.70 0.00 3.96 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 0.00 109 K 7.86 3.35 0.00 0.79 0.74 0.00 0.83 0.00 0.00 0.88 0.00 0.00 2.27 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.32 0.21 7.81 110 Y 7.16 4.41 0.00 2.98 2.92 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 0.00 111 Q 7.47 4.29 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 112 Q 8.24 4.63 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 113 D 8.56 4.73 0.00 2.67 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 0.00 114 Q 8.29 4.52 0.00 2.02 2.03 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 2.27 2.31 0.00 115 V 8.28 3.69 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 0.76 0.00 0.00 0.93 0.00 0.00 116 V 8.21 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00 117 K 8.39 4.56 0.00 1.72 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.41 7.81 118 E 8.74 4.20 0.00 1.99 1.84 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 2.29 2.24 0.00