NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5023 8.3049 120.3273 55.0505 33.2153 178.2673 2 V 4.3558 8.5233 116.7593 57.7583 35.1965 174.2554 3 S 4.4367 8.6335 119.3353 58.9082 65.9091 175.8061 4 Q 4.0644 8.5846 124.3457 60.4655 27.7505 179.9224 5 E 4.1896 8.0923 118.8942 59.7025 29.5003 179.3611 6 T 3.8737 7.8624 115.6826 66.4872 68.5080 176.8186 7 V 3.5228 7.8653 119.9208 65.9822 31.5467 177.8047 8 A 3.9306 8.2345 120.6770 55.5044 18.1826 179.0635 9 H 4.0922 8.3766 116.7748 59.4224 29.8460 177.6956 10 V 3.3935 8.0777 120.3949 65.7213 31.3405 177.9490 11 K 3.5779 8.2449 118.6895 59.6337 31.6748 178.8531 12 D 4.2751 8.0829 118.0292 57.2937 40.8744 178.5856 13 L 4.0464 7.9194 119.7194 57.8674 41.4078 179.4972 14 I 2.5627 7.1397 118.7004 63.6445 37.0014 177.8388 15 G 3.8724 7.4409 102.8862 45.0718 0.0000 175.2446 16 Q 4.1821 7.7035 120.8903 57.1272 29.0025 176.2921 17 K 4.7851 7.1408 116.1657 54.0129 35.6704 175.8380 18 E 4.1938 8.7553 119.7476 58.8547 30.8468 177.2704 19 V 5.1287 8.1793 119.5129 60.9062 34.7858 174.2226 20 F 5.4182 9.8811 130.3777 56.3801 42.4483 173.8404 21 V 4.6495 8.3431 125.3789 60.9482 34.6335 173.7490 22 A 4.6580 9.0464 130.3594 50.8217 20.4236 175.8756 23 A 5.0450 9.1702 123.9269 50.3294 23.4859 174.3601 24 K 5.2244 8.3900 116.9393 54.6749 36.1836 176.9865 25 T 4.0341 8.8824 112.2217 62.2356 69.5418 173.3717 26 Y 3.4588 7.8259 116.3186 59.6425 35.4548 172.6124 27 C 4.8300 7.8042 118.8292 53.5247 46.7544 170.4848 28 P 4.2493 0.0000 0.0000 66.0793 31.0955 177.8348 29 Y 4.5436 7.9015 113.9067 60.3314 37.9965 178.5926 30 C 4.3368 8.2499 117.7588 59.7811 38.9542 175.5196 31 K 3.8453 8.3329 121.1285 59.4515 31.7868 178.4245 32 A 3.9865 8.2233 120.9743 55.6372 18.1771 179.7648 33 T 3.7517 8.2176 114.4094 66.7926 68.5335 176.9233 34 L 4.0894 8.4367 121.2554 57.8452 41.6436 179.6176 35 S 4.1325 8.5182 113.4187 61.6086 62.2863 176.0658 36 T 3.8051 8.2644 118.8037 66.7562 68.2526 176.4906 37 L 3.7063 7.7520 120.3180 57.6800 41.1059 179.2604 38 F 4.8625 8.3467 117.0634 58.3655 39.2124 177.6673 39 Q 4.3376 8.1836 116.3369 57.6237 30.0554 176.7947 40 E 4.0501 8.2961 116.6614 58.8544 29.7631 177.1805 41 L 4.4583 8.1059 115.3597 53.8069 42.2325 175.9879 42 N 4.5504 8.2106 114.0663 52.9221 36.0792 174.5762 43 V 3.5409 8.2602 118.1435 62.1686 32.1521 173.8657 44 P 4.4340 0.0000 0.0000 62.5308 31.8881 177.6134 45 K 3.7917 8.8067 123.0712 59.2603 32.1842 179.1625 46 S 4.2082 8.0570 111.9684 60.2694 63.2353 174.6392 47 K 4.6621 8.3159 120.4525 55.9695 32.9961 175.4379 48 A 5.3233 8.1835 121.0935 50.0586 22.6536 176.0672 49 L 4.6595 9.2747 121.9125 53.2226 45.0113 175.3349 50 V 4.6361 8.4337 126.0283 61.0617 33.7563 174.3094 51 L 4.6400 8.8103 128.1445 53.2014 44.4738 175.6520 52 E 4.8396 8.5175 122.7012 54.5453 30.2180 176.5433 53 L 4.0233 9.1272 127.3003 57.5054 41.9315 179.2511 54 D 4.6070 8.0298 115.3174 54.4201 39.8756 176.3889 55 E 4.5032 8.0556 118.9248 56.4437 30.0448 175.5405 56 M 4.8681 7.5198 119.3220 53.1029 35.2345 176.8291 57 S 4.1545 8.8264 117.7818 61.1178 63.5307 174.6875 58 N 4.7330 8.1550 116.4103 52.5557 37.7831 176.5399 59 G 4.3050 8.0706 109.5841 47.8777 0.0000 175.9086 60 S 4.1292 8.0400 115.0845 61.0635 62.4995 175.9113 61 E 4.0572 8.1363 119.9272 59.1931 29.5832 178.8747 62 I 3.6914 8.0459 121.0558 64.3231 37.1320 178.0190 63 Q 4.0348 8.3618 120.4645 59.4072 28.8935 178.1287 64 D 4.3413 8.3043 119.6252 57.2720 40.8601 178.6633 65 A 4.0091 8.4346 121.7145 55.1039 18.3129 179.5389 66 L 3.9743 8.5079 117.8768 58.0335 41.6272 179.4760 67 E 4.5545 8.5922 123.1412 59.4716 29.3744 179.2366 68 E 3.9135 8.4915 117.6578 61.1869 29.8015 180.8766 69 I 4.0948 8.2240 120.3772 63.7396 37.3864 177.8612 70 S 4.6443 8.3605 111.8709 57.3206 64.3306 175.3116 71 G 3.9341 9.0116 111.2861 45.2634 0.0000 173.3624 72 Q 4.1750 7.8501 124.8660 56.2833 29.5525 176.8027 73 K 4.5544 8.6916 125.1912 54.4595 33.6320 173.3876 74 T 4.6885 7.7082 106.5951 60.9928 70.8260 174.0664 75 V 4.6653 7.9487 115.6474 58.9882 34.2353 174.0479 76 P 4.8371 0.0000 0.0000 62.7517 33.4939 174.5135 77 N 5.2773 9.3466 119.4016 52.0898 41.9656 172.9391 78 V 5.0661 9.0818 126.9804 61.3989 34.3216 173.8882 79 Y 5.2022 9.4894 124.7810 56.3205 41.8898 174.6007 80 I 4.8912 8.5919 123.1220 60.0889 41.3705 175.2208 81 N 4.2061 10.7496 125.7346 54.7282 37.7763 174.9260 82 G 3.9864 8.6423 101.4414 45.2656 0.0000 174.0178 83 K 4.7459 7.9544 119.1914 54.1636 34.7057 175.1352 84 H 3.3288 8.7220 122.8476 56.0320 30.3541 174.6662 85 I 3.9695 8.5784 128.2833 64.3651 38.9565 174.5344 86 G 4.0524 6.4915 106.7036 44.9471 0.0000 172.0833 87 G 4.5687 8.5457 113.2840 43.8784 0.0000 172.4633 88 N 4.4780 8.6756 117.0722 56.2851 38.7232 177.9658 89 S 4.0503 7.9764 116.1287 61.5868 62.9128 176.0738 90 D 4.2973 8.0218 121.0805 57.2363 40.6102 178.4642 91 L 3.8729 7.9425 120.6500 58.2821 42.0311 178.8323 92 E 3.9359 8.5805 118.7923 59.6448 29.3469 179.5084 93 T 3.8227 8.0928 115.8704 66.7342 68.5635 176.7264 94 L 4.0082 8.0642 120.9377 57.4170 41.4664 179.3810 95 K 3.9293 8.7174 122.4493 60.1332 31.9169 179.7115 96 K 3.9966 8.0591 122.7160 59.9101 31.8163 180.2226 97 N 4.5201 8.4104 117.3270 54.4202 38.9252 176.6007 98 G 3.9443 8.1427 109.9159 46.5384 0.0000 176.1142 99 K 4.1757 7.6981 124.2281 59.1523 31.6635 184.1975 100 L 4.1321 8.0767 119.4897 58.4738 42.0929 178.8378 101 A 4.1168 8.0744 122.8663 55.5547 18.1503 179.8676 102 E 3.9515 7.5668 114.8345 61.5231 29.9271 181.2586 103 I 4.0513 7.6985 119.8553 64.1544 37.3937 178.1440 104 L 4.3018 8.6815 121.7586 56.8434 41.6044 179.7621 105 K 4.1191 7.8059 124.4995 59.5963 31.5514 181.9986 106 P 4.4867 0.0000 0.0000 65.9032 30.8089 178.5558 107 V 3.5045 7.8431 117.0419 65.0745 31.3567 177.1243 108 F 4.6942 7.8262 117.6390 58.8831 39.4072 176.3936 109 Q 4.2599 7.9347 121.5820 55.1755 27.9155 181.1561 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 8.30 4.50 0.00 2.03 1.37 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 2.51 2.57 0.00 2 V 8.52 4.36 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 3 S 8.63 4.44 0.00 4.22 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 4 Q 8.58 4.06 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 5 E 8.09 4.19 0.00 2.04 2.01 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 2.39 2.45 0.00 6 T 7.86 3.87 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 1.23 0.00 0.00 7 V 7.87 3.52 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 1.00 0.00 0.00 0.99 0.00 0.00 8 A 8.23 3.93 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 9 H 8.38 4.09 0.00 3.23 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.08 3.39 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 0.93 0.00 0.00 0.92 0.00 0.00 11 K 8.24 3.58 0.00 1.88 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.58 7.81 12 D 8.08 4.28 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 13 L 7.92 4.05 0.00 1.60 1.70 0.88 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 14 I 7.14 2.56 1.39 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.13 0.00 0.00 15 G 7.44 3.87 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 0.00 0.00 0.00 16 Q 7.70 4.18 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 17 K 7.14 4.79 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.46 7.81 18 E 8.76 4.19 0.00 2.05 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 2.39 2.22 0.00 19 V 8.18 5.13 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 0.84 0.00 0.00 0.89 0.00 0.00 20 F 9.88 5.42 0.00 3.29 3.01 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 21 V 8.34 4.65 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 0.69 0.00 0.00 0.94 0.00 0.00 22 A 9.05 4.66 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 23 A 9.17 5.04 1.26 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 24 K 8.39 5.22 0.00 1.63 1.72 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.43 7.81 25 T 8.88 4.03 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 1.21 0.00 0.00 26 Y 7.83 3.46 0.00 3.18 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 27 C 7.80 4.83 0.00 2.97 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 28 P 0.00 4.25 0.00 2.08 2.15 0.00 3.58 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 2.04 2.21 0.00 29 Y 7.90 4.54 0.00 2.98 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 30 C 8.25 4.34 0.00 3.17 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 K 8.33 3.85 0.00 1.82 2.00 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 32 A 8.22 3.99 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 33 T 8.22 3.75 4.33 0.00 0.00 0.00 0.00 0.00 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 34 L 8.44 4.09 0.00 1.85 1.95 0.96 1.04 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 35 S 8.52 4.13 0.00 3.91 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 36 T 8.26 3.81 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 1.14 0.00 0.00 37 L 7.75 3.71 0.00 0.76 0.68 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.35 4.86 0.00 3.24 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 39 Q 8.18 4.34 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 40 E 8.30 4.05 0.00 1.92 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 0.00 2.27 2.31 0.00 41 L 8.11 4.46 0.00 1.88 1.76 0.90 1.08 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 42 N 8.21 4.55 0.00 3.01 3.03 0.00 0.00 7.22 7.68 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 43 V 8.26 3.54 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 0.75 0.00 0.00 0.85 0.00 0.00 44 P 0.00 4.43 0.00 2.19 1.98 0.00 3.37 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 45 K 8.81 3.79 0.00 1.69 1.63 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.59 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.02 7.81 46 S 8.06 4.21 0.00 3.96 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 47 K 8.32 4.66 0.00 1.82 1.79 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.35 7.81 48 A 8.18 5.32 1.45 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 0.00 0.00 0.00 49 L 9.27 4.66 0.00 1.78 1.69 0.95 1.13 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 V 8.43 4.64 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 0.83 0.00 0.00 0.98 0.00 0.00 51 L 8.81 4.64 0.00 1.50 1.54 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.52 4.84 0.00 1.95 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 2.27 2.31 0.00 53 L 9.13 4.02 0.00 1.71 1.90 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.03 4.61 0.00 2.82 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 55 E 8.06 4.50 0.00 2.17 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 0.00 2.30 2.28 0.00 56 M 7.52 4.87 0.00 2.28 2.05 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 2.78 2.49 0.00 57 S 8.83 4.15 0.00 3.98 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 58 N 8.16 4.73 0.00 3.07 3.09 0.00 0.00 6.14 6.92 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 59 G 8.07 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 0.00 0.00 0.00 0.00 60 S 8.04 4.13 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 61 E 8.14 4.06 0.00 2.25 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 0.00 2.47 2.46 0.00 62 I 8.05 3.69 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.00 0.00 0.00 63 Q 8.36 4.03 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 64 D 8.30 4.34 0.00 2.91 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 65 A 8.43 4.01 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 66 L 8.51 3.97 0.00 1.92 1.85 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.59 4.55 0.00 2.11 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 0.00 2.32 2.20 0.00 68 E 8.49 3.91 0.00 2.05 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 2.26 2.23 0.00 69 I 8.22 4.09 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.02 0.94 0.00 0.00 70 S 8.36 4.64 0.00 3.75 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 71 G 9.01 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 72 Q 7.85 4.18 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.36 0.00 73 K 8.69 4.55 0.00 1.79 1.66 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 0.96 7.81 74 T 7.71 4.69 4.28 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 1.24 0.00 0.00 75 V 7.95 4.67 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 0.85 0.00 0.00 0.96 0.00 0.00 76 P 0.00 4.84 0.00 2.14 2.20 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 77 N 9.35 5.28 0.00 3.00 2.91 0.00 0.00 6.97 7.26 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 78 V 9.08 5.07 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 0.91 0.00 0.00 0.92 0.00 0.00 79 Y 9.49 5.20 0.00 3.16 2.88 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 80 I 8.59 4.89 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.95 0.00 0.00 81 N 10.75 4.21 0.00 2.68 2.88 0.00 0.00 7.25 7.86 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 82 G 8.64 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 83 K 7.95 4.75 0.00 1.79 1.71 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.50 7.81 84 H 8.72 3.33 0.00 2.73 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.58 3.97 1.87 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 1.35 0.93 0.82 0.00 0.00 86 G 6.49 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 87 G 8.55 4.57 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 0.00 88 N 8.68 4.48 0.00 2.92 2.84 0.00 0.00 7.70 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 89 S 7.98 4.05 0.00 3.91 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 90 D 8.02 4.30 0.00 2.77 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 91 L 7.94 3.87 0.00 1.80 1.77 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.58 3.94 0.00 2.05 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 2.34 2.33 0.00 93 T 8.09 3.82 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 1.19 0.00 0.00 94 L 8.06 4.01 0.00 1.80 1.68 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.72 3.93 0.00 1.81 1.94 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 96 K 8.06 4.00 0.00 1.88 1.71 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 97 N 8.41 4.52 0.00 2.86 2.98 0.00 0.00 7.14 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 98 G 8.14 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 0.00 0.00 0.00 99 K 7.70 4.18 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 100 L 8.08 4.13 0.00 1.77 1.67 0.89 1.00 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 0.00 101 A 8.07 4.12 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 0.00 102 E 7.57 3.95 0.00 2.17 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 2.23 0.00 103 I 7.70 4.05 2.09 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 1.52 0.98 0.91 0.00 0.00 104 L 8.68 4.30 0.00 1.88 1.93 0.98 0.97 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 0.00 105 K 7.81 4.12 0.00 1.78 1.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 106 P 0.00 4.49 0.00 2.25 2.36 0.00 3.71 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 2.15 2.05 0.00 107 V 7.84 3.50 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 0.55 0.00 0.00 0.87 0.00 0.00 108 F 7.83 4.69 0.00 3.20 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 0.00 109 Q 7.93 4.26 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00