NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2272 8.1727 120.1348 56.7443 34.7082 174.0366 2 V 4.5871 8.1008 122.9075 60.6787 32.6562 174.4876 3 F 4.3502 9.9559 128.9794 57.5788 40.1219 174.9404 4 E 4.3247 8.9890 121.1209 55.5933 31.0877 177.0429 5 R 3.2374 8.9543 120.9981 60.5938 29.9690 179.5441 6 C 4.3156 8.0163 115.2772 59.6528 35.4059 175.6803 7 E 3.8959 8.0851 120.8307 59.0845 29.2127 178.4813 8 L 3.4884 8.0776 120.2404 57.8554 42.1026 178.5555 9 A 3.9361 7.9062 120.7473 55.5196 18.2441 179.9290 10 R 3.8992 8.0270 116.3458 59.5724 30.1823 179.4459 11 T 3.8393 7.7989 115.4742 66.6564 68.4459 176.7630 12 L 3.9017 8.1064 121.1854 57.2212 41.5653 179.4742 13 K 3.9105 7.8933 119.8109 59.6498 31.9807 179.0858 14 R 3.9898 7.9144 117.1023 58.9635 29.9362 177.9552 15 L 4.4504 7.3611 116.2507 54.1300 41.6819 177.0629 16 G 3.9340 7.7257 105.9384 46.9430 0.0000 175.5015 17 M 3.8631 7.8371 121.5801 56.7013 32.2332 175.6359 18 D 4.3861 7.9877 117.5162 56.0770 40.8248 175.6718 19 G 3.8976 9.5930 115.9763 45.3748 0.0000 171.0185 20 Y 4.0341 8.2004 121.4723 58.3226 38.6638 176.1232 21 R 3.4460 9.0038 127.6236 57.2981 27.5626 177.6869 22 G 3.8630 8.1283 105.4542 45.4236 0.0000 174.2665 23 I 3.8996 7.4560 122.1893 59.9535 37.8400 175.9641 24 S 4.6699 8.2590 120.7855 57.7131 65.2341 174.7337 25 L 4.2170 8.7795 123.9871 58.4994 41.7202 179.0141 26 A 4.1478 8.1306 120.1163 55.4805 18.3680 179.1969 27 N 4.3818 7.9899 114.9876 56.2556 38.4712 177.7935 28 W 4.1989 7.9155 119.9428 59.8843 29.0992 178.5413 29 M 4.1869 8.8011 119.0692 58.5720 31.4473 177.8499 30 C 3.1547 8.2416 118.8732 59.2180 44.6317 175.3045 31 L 4.0346 7.9603 121.4631 58.3225 41.7166 178.8261 32 A 4.0394 8.4985 120.9967 54.9159 18.3389 179.3676 33 K 2.9842 8.4957 118.5146 59.4714 32.0399 179.1377 34 W 4.3593 7.7579 117.3897 59.3211 29.0413 178.3531 35 E 4.3962 8.4665 118.5651 58.5902 29.3845 177.7159 36 S 4.5792 8.0688 110.0046 56.6200 64.3729 174.5261 37 G 3.5090 8.2965 108.8768 46.9805 0.0000 173.5827 38 Y 3.7577 7.8464 113.5007 58.4936 35.0175 168.2953 39 N 5.3834 7.6866 119.6244 51.9447 40.2670 175.8879 40 T 4.0992 9.0003 116.9530 64.0417 69.1378 175.8703 41 R 4.4476 8.4391 119.7128 55.7219 30.6931 176.2024 42 A 4.3807 7.6456 121.6282 52.4045 19.5102 177.1448 43 T 5.0238 8.3291 110.9544 60.2212 72.1495 173.0023 44 N 4.9555 9.1152 122.1648 51.6123 42.1095 172.7668 45 Y 4.7724 8.7624 125.7144 56.9175 40.4335 174.3835 46 N 4.5648 8.8989 125.9153 51.5817 39.4022 175.0212 47 A 3.5114 8.1668 129.9534 54.4196 19.0444 179.1862 48 G 3.6229 7.9648 104.6854 48.5425 0.0000 174.4478 49 D 4.6168 8.0315 116.3644 51.8334 39.7971 176.2677 50 R 3.8986 7.6449 116.9374 57.3945 28.3420 175.7850 51 S 5.0070 7.7634 111.8010 57.1140 66.4083 172.7918 52 T 5.1097 8.8357 116.0120 61.9632 72.5278 172.7990 53 D 5.4625 9.3041 125.8247 53.2763 43.0503 175.0342 54 Y 4.6960 9.2626 121.4074 57.3561 41.3311 177.7188 55 G 4.3729 8.9704 111.8985 44.7339 0.0000 173.3453 56 I 3.7968 8.3981 116.9502 62.9942 37.7347 177.4034 57 F 4.8312 8.0229 115.0932 56.6224 39.9776 175.1798 58 Q 3.5680 7.9829 119.3392 57.0684 26.6842 173.9226 59 I 4.3946 8.1776 118.7524 60.8354 39.4972 176.7937 60 N 5.5584 9.4065 125.2048 52.9807 39.6342 175.5570 61 S 4.8799 9.0666 120.8758 59.9106 63.3616 175.4438 62 R 3.8087 8.7940 122.4900 59.1432 30.4561 177.5836 63 Y 3.8760 7.7509 115.0282 58.9848 39.4641 177.5200 64 W 4.6930 8.2796 119.3639 57.9911 30.2760 173.9419 65 C 5.5706 8.0424 110.8470 53.3601 39.4751 171.9181 66 N 5.0863 8.8861 119.8586 52.2093 39.3590 174.7527 67 D 4.6719 8.7369 123.9199 52.4101 40.0899 177.4327 68 G 3.9529 8.2599 107.1574 46.1045 0.0000 174.2950 69 K 4.5065 8.5136 116.9215 56.4675 33.1897 175.6798 70 T 4.5409 7.7394 116.5356 61.2171 70.2935 172.7068 71 P 4.2666 0.0000 0.0000 63.4476 31.9327 177.6444 72 G 3.8192 8.6607 106.8546 45.5040 0.0000 173.9530 73 A 4.5211 7.2123 121.1758 52.3077 18.5704 177.9716 74 V 4.0876 8.0278 113.5228 60.0181 34.5370 175.0586 75 N 4.0752 8.0585 117.8344 54.5955 36.7779 174.5826 76 A 4.1235 8.3158 120.2417 54.4478 19.1486 178.0499 77 C 4.6750 8.4992 111.9350 56.5289 41.4405 173.1263 78 H 4.0693 7.8122 116.4151 56.6327 26.3496 174.0092 79 L 4.8323 8.1208 117.5120 52.9669 46.3773 176.2955 80 S 4.7360 8.3570 115.2383 57.7090 63.3695 175.9943 81 C 4.0842 8.4850 125.0290 59.4871 39.5670 176.5016 82 S 3.8901 7.7537 115.9026 61.0348 62.3636 176.2276 83 A 4.2452 7.8844 125.1762 53.7781 18.2090 178.4354 84 L 4.5166 7.6607 116.3040 54.8498 41.6562 177.5191 85 L 5.4981 7.6822 117.4465 53.7680 42.7128 176.4584 86 Q 4.4798 7.6764 118.4059 54.8912 30.0029 176.6884 87 D 4.3837 8.6147 120.6215 57.3039 41.1021 176.8034 88 N 4.5119 8.0761 118.2038 53.4693 39.1125 174.5766 89 I 4.3639 8.4326 118.9548 61.0238 37.9705 176.9163 90 A 3.9548 8.1631 125.1163 55.6924 18.1150 179.6433 91 D 4.2704 8.1354 116.6885 56.8987 39.3215 178.4950 92 A 4.1032 8.0429 122.5981 54.4231 18.3725 179.6556 93 V 3.3030 8.3374 116.9033 65.9959 31.7153 178.1332 94 A 3.8323 8.1719 120.8663 55.1925 18.0914 178.8732 95 C 4.1776 8.2239 116.8246 59.7466 41.5163 175.6410 96 A 3.8765 8.1865 122.6481 55.0196 17.5406 179.8095 97 K 3.8415 7.4785 116.5830 59.2302 32.2830 179.3106 98 R 4.0093 7.6103 118.5975 59.3988 29.7865 178.4258 99 V 2.1487 7.4133 118.3470 65.8205 31.0039 177.8797 100 V 3.9728 7.8260 109.5824 62.5403 31.1506 177.2307 101 R 4.5123 7.5583 117.7629 55.3443 30.5443 175.9712 102 E 4.5412 7.2083 119.5417 54.4008 31.0716 175.4924 103 P 4.2285 0.0000 0.0000 66.0147 31.4826 177.9436 104 Q 4.1761 8.1702 113.8134 56.0161 30.5225 176.9428 105 G 3.6440 7.6812 108.7688 47.5131 0.0000 176.7715 106 I 3.9960 7.8958 123.8918 62.7289 37.7439 177.1077 107 R 4.4130 7.6511 117.6204 58.0287 29.9384 177.4562 108 A 3.8655 7.7784 120.8922 53.5394 18.5745 177.4024 109 W 4.6830 8.1009 116.0541 55.0080 29.6482 177.0486 110 V 3.9848 8.4259 117.5709 63.2057 31.0169 178.0414 111 A 4.2485 8.1759 120.1937 54.3408 18.1203 179.5212 112 W 3.9728 8.4717 127.5278 60.5350 30.6093 178.2868 113 R 3.5615 8.1826 116.3105 59.4425 29.6859 178.3485 114 N 4.3425 8.5011 114.7948 55.6251 38.6952 176.8651 115 R 4.0919 7.6888 115.6718 55.8468 31.0486 175.8090 116 C 4.5369 7.1632 113.9848 57.9535 42.9114 174.7296 117 Q 3.2544 6.7540 120.0571 56.9779 28.7466 175.4602 118 N 4.2330 8.6399 121.2013 54.0289 36.0948 174.1468 119 R 4.5961 7.4828 113.6668 54.4241 34.3958 174.5460 120 D 4.5355 8.6489 120.4157 54.3750 41.6463 176.3692 121 V 4.6868 8.3416 118.4225 61.4299 32.5493 177.6516 122 R 4.2118 8.4634 121.2472 58.4449 29.1920 178.5846 123 Q 4.0749 8.2373 117.6558 59.3916 28.2841 177.9528 124 Y 4.1274 8.3438 117.6660 59.7686 38.1581 176.8057 125 V 4.3761 7.7151 111.3855 60.7580 32.8135 175.5268 126 Q 4.1540 7.6471 119.8176 57.1554 28.7887 177.0359 127 G 3.9679 8.9019 110.2484 45.9754 0.0000 174.6385 128 C 4.3965 7.9915 115.9747 56.8433 40.7626 173.6033 129 G 3.8129 8.0813 107.0728 47.0865 0.0000 174.0956 130 V 4.0197 7.7893 117.0871 61.1715 32.3136 176.0650 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 K 8.17 4.23 0.00 1.66 2.28 0.00 1.14 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.20 7.81 2 V 8.10 4.59 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 0.92 0.00 0.00 0.94 0.00 0.00 3 F 9.96 4.35 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.99 4.32 0.00 1.95 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 2.30 2.24 0.00 5 R 8.95 3.24 0.00 1.99 1.93 0.00 3.35 0.00 0.00 3.41 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 6 C 8.02 4.32 0.00 2.99 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 7 E 8.09 3.90 0.00 2.05 2.22 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 2.54 2.40 0.00 8 L 8.08 3.49 0.00 1.44 1.37 -0.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.91 3.94 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 10 R 8.03 3.90 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 11 T 7.80 3.84 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 1.15 0.00 0.00 12 L 8.11 3.90 0.00 1.72 1.54 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.89 3.91 0.00 1.98 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 R 7.91 3.99 0.00 1.97 1.96 0.00 3.20 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 15 L 7.36 4.45 0.00 1.49 1.53 0.88 0.83 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 16 G 7.73 3.93 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 0.00 0.00 0.00 17 M 7.84 3.86 0.00 1.23 1.98 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 18 D 7.99 4.39 0.00 2.68 2.67 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 19 G 9.59 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 0.00 0.00 0.00 20 Y 8.20 4.03 0.00 3.40 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 21 R 9.00 3.45 0.00 1.91 1.85 0.00 3.25 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.94 0.00 22 G 8.13 3.86 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 0.00 0.00 0.00 23 I 7.46 3.90 1.57 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.67 -0.40 0.00 0.00 24 S 8.26 4.67 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.78 4.22 0.00 1.88 1.81 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.13 4.15 1.50 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 27 N 7.99 4.38 0.00 2.70 2.58 0.00 0.00 7.07 7.52 0.00 0.00 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 W 7.92 4.20 0.00 3.52 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 29 M 8.80 4.19 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.98 0.00 30 C 8.24 3.15 0.00 2.42 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 31 L 7.96 4.03 0.00 1.94 1.93 0.30 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.50 4.04 1.49 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 0.00 0.00 0.00 33 K 8.50 2.98 0.00 1.83 1.68 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.33 7.81 34 W 7.76 4.36 0.00 3.41 3.30 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 35 E 8.47 4.40 0.00 2.07 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 2.75 2.67 0.00 36 S 8.07 4.58 0.00 4.13 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 0.00 37 G 8.30 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.85 3.76 0.00 3.27 3.06 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 39 N 7.69 5.38 0.00 2.69 2.80 0.00 0.00 6.99 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 40 T 9.00 4.10 4.45 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 1.41 0.00 0.00 41 R 8.44 4.45 0.00 1.83 2.04 0.00 3.19 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 42 A 7.65 4.38 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 43 T 8.33 5.02 4.02 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 1.35 0.00 0.00 44 N 9.12 4.96 0.00 2.81 2.76 0.00 0.00 6.33 7.64 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 45 Y 8.76 4.77 0.00 2.87 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 46 N 8.90 4.56 0.00 2.65 2.75 0.00 0.00 6.83 9.28 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 47 A 8.17 3.51 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 48 G 7.96 3.62 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 0.00 0.00 0.00 49 D 8.03 4.62 0.00 2.73 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 50 R 7.64 3.90 0.00 2.05 2.16 0.00 3.15 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 51 S 7.76 5.01 0.00 4.06 3.94 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 0.00 0.00 0.00 52 T 8.84 5.11 4.02 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 0.63 0.00 0.00 53 D 9.30 5.46 0.00 2.77 2.80 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 54 Y 9.26 4.70 0.00 2.93 2.89 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 55 G 8.97 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 0.00 0.00 0.00 0.00 56 I 8.40 3.80 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.86 0.01 0.00 0.00 57 F 8.02 4.83 0.00 3.28 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.98 3.57 0.00 2.48 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.83 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 59 I 8.18 4.39 2.13 0.00 0.00 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 1.33 0.95 1.12 0.00 0.00 60 N 9.41 5.56 0.00 3.09 3.11 0.00 0.00 7.45 7.63 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 61 S 9.07 4.88 0.00 4.10 4.38 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 3.81 0.00 1.67 1.58 0.00 2.91 0.00 0.00 2.76 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 63 Y 7.75 3.88 0.00 1.72 1.62 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 64 W 8.28 4.69 0.00 3.61 3.28 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 65 C 8.04 5.57 0.00 3.25 3.24 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 66 N 8.89 5.09 0.00 2.71 2.71 0.00 0.00 7.10 8.89 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 67 D 8.74 4.67 0.00 2.85 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 68 G 8.26 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 69 K 8.51 4.51 0.00 1.86 1.88 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.53 7.81 70 T 7.74 4.54 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 1.19 0.00 0.00 71 P 0.00 4.27 0.00 2.14 1.94 0.00 3.73 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 2.11 2.08 0.00 72 G 8.66 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.21 4.52 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 74 V 8.03 4.09 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 0.67 0.00 0.00 0.82 0.00 0.00 75 N 8.06 4.08 0.00 2.87 2.70 0.00 0.00 7.11 8.46 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 76 A 8.32 4.12 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 77 C 8.50 4.68 0.00 3.39 3.24 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 78 H 7.81 4.07 0.00 3.34 3.36 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.12 4.83 0.00 1.71 1.51 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.36 4.74 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 81 C 8.48 4.08 0.00 2.31 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 82 S 7.75 3.89 0.00 3.98 4.07 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 83 A 7.88 4.25 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.66 4.52 0.00 2.01 1.83 0.95 0.67 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 85 L 7.68 5.50 0.00 1.81 1.70 1.17 1.36 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 86 Q 7.68 4.48 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 87 D 8.61 4.38 0.00 2.63 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 88 N 8.08 4.51 0.00 2.70 2.76 0.00 0.00 6.93 7.94 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 89 I 8.43 4.36 1.78 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.99 0.00 0.00 90 A 8.16 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.27 0.00 2.90 2.95 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 92 A 8.04 4.10 1.46 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 93 V 8.34 3.30 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 0.69 0.00 0.00 0.90 0.00 0.00 94 A 8.17 3.83 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 95 C 8.22 4.18 0.00 3.06 3.26 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 96 A 8.19 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.48 3.84 0.00 1.67 1.44 0.00 1.19 0.00 0.00 0.68 0.00 0.00 2.29 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.70 7.81 98 R 7.61 4.01 0.00 1.95 2.04 0.00 3.25 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 1.81 1.73 0.00 99 V 7.41 2.15 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 -0.22 0.00 0.00 -0.42 0.00 0.00 100 V 7.83 3.97 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 1.18 0.00 0.00 1.41 0.00 0.00 101 R 7.56 4.51 0.00 1.97 1.99 0.00 3.21 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.06 0.00 102 E 7.21 4.54 0.00 2.09 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 2.57 2.77 0.00 103 P 0.00 4.23 0.00 2.03 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 104 Q 8.17 4.18 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 105 G 7.68 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 0.00 106 I 7.90 4.00 1.10 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.72 -0.67 0.00 0.00 107 R 7.65 4.41 0.00 2.06 2.05 0.00 3.33 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 108 A 7.78 3.87 0.77 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 0.00 0.00 109 W 8.10 4.68 0.00 3.71 3.34 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 0.00 110 V 8.43 3.98 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 0.99 0.00 0.00 111 A 8.18 4.25 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.47 3.97 0.00 3.50 3.57 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 0.00 113 R 8.18 3.56 0.00 2.08 1.96 0.00 3.34 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 114 N 8.50 4.34 0.00 2.48 2.70 0.00 0.00 7.00 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 0.00 115 R 7.69 4.09 0.00 1.07 0.66 0.00 2.21 0.00 0.00 2.42 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.79 0.00 116 C 7.16 4.54 0.00 1.84 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 0.00 117 Q 6.75 3.25 0.00 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.83 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 118 N 8.64 4.23 0.00 2.78 2.82 0.00 0.00 6.82 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 0.00 119 R 7.48 4.60 0.00 1.81 1.75 0.00 3.06 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 120 D 8.65 4.54 0.00 2.66 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 0.00 121 V 8.34 4.69 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 0.88 0.00 0.00 1.09 0.00 0.00 122 R 8.46 4.21 0.00 2.00 2.04 0.00 3.34 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 123 Q 8.24 4.07 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 124 Y 8.34 4.13 0.00 3.22 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 0.00 125 V 7.72 4.38 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 1.08 0.00 0.00 1.07 0.00 0.00 126 Q 7.65 4.15 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 127 G 8.90 3.97 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 0.00 0.00 0.00 128 C 7.99 4.40 0.00 3.05 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 0.00 129 G 8.08 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 0.00 130 V 7.79 4.02 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 0.80 0.00 0.00 0.96 0.00 0.00