NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3996 8.3049 120.3504 55.3594 33.4282 174.3439 1 D 4.5793 8.2674 120.1177 52.9371 42.2761 174.6653 2 I 4.2337 8.7505 122.9095 60.9436 39.7299 175.4086 3 I 4.8311 8.2544 126.5509 60.1528 39.9404 174.1477 4 L 4.8864 9.5085 127.8584 52.9973 45.3415 176.1278 5 G 4.5422 8.2771 106.6175 45.2395 0.0000 172.3190 6 I 4.6659 9.0487 124.3357 59.2131 41.7946 173.5877 7 R 4.6663 8.7257 130.0760 55.0155 30.3054 175.6864 8 V 4.2947 8.2515 127.7440 61.5025 31.4012 177.4616 9 Q 4.1428 8.8865 124.3295 60.0433 29.1350 177.9224 10 D 5.1372 7.4907 115.3139 53.5249 42.1577 175.2400 11 S 4.6777 7.4225 112.1317 58.0624 64.9827 174.2879 12 V 4.8869 8.3993 119.9247 61.1435 33.9114 174.3319 13 I 4.5716 9.0969 128.4284 59.4741 39.8740 174.4733 14 L 5.1928 8.5731 125.6036 52.9546 44.3515 175.4742 15 A 4.7734 8.7138 126.3538 50.2570 21.3831 175.5460 16 S 5.0598 8.4195 117.9606 56.3307 66.5324 174.3908 17 S 4.3211 8.6927 119.7167 59.1370 63.2891 174.4758 18 K 4.8378 8.9050 117.6110 55.5614 33.6729 176.0985 19 A 4.6275 7.9126 122.1639 51.7407 19.6810 177.7774 20 V 4.2358 8.6540 120.0480 61.8099 34.2396 173.9287 21 T 4.7640 8.4948 124.3350 62.0551 70.4368 175.4910 22 R 4.4507 8.4875 124.4272 54.7612 32.8679 177.3754 23 G 3.8884 8.7066 117.2178 46.5253 0.0000 173.5097 24 I 3.9232 8.9146 123.7770 62.1284 38.7343 174.2466 25 S 4.6924 7.8034 114.7629 56.5165 66.0666 173.0244 26 V 4.4665 7.8190 120.8999 61.0250 30.7091 175.7680 27 L 4.0043 8.1595 128.3385 57.1661 42.0307 178.1083 28 K 4.6573 7.6261 115.3185 55.0902 35.2788 175.4154 29 D 4.9430 8.7035 122.2054 52.9620 39.9260 175.6469 30 S 4.7805 7.7913 112.7962 58.4330 63.6923 173.3043 31 D 4.4029 8.5843 121.2773 55.4025 42.2364 174.5517 32 D 4.8273 8.6626 126.2318 51.9978 41.3516 176.6941 33 K 3.9758 7.7633 131.6619 55.1764 31.6428 176.1888 34 T 4.8707 6.9076 111.2264 61.0482 71.1267 173.3717 35 R 4.8030 8.9738 123.4194 54.5413 35.0672 174.1514 36 Q 4.5257 8.6096 123.3521 54.8664 29.2139 175.3574 37 L 4.1536 8.6404 128.5110 57.3663 42.2393 177.1500 38 S 4.6185 7.5667 110.9990 56.0226 65.7126 172.8651 39 P 4.2469 0.0000 0.0000 65.7402 30.8830 176.5217 40 H 4.9761 9.1470 114.5336 55.3413 31.2559 172.8529 41 T 5.0624 8.1299 116.1527 61.6307 71.8408 172.6538 42 L 5.1905 9.5413 129.0502 53.3348 45.7226 174.6357 43 M 5.3520 8.8888 125.0307 53.9113 35.1791 174.3609 44 S 5.1352 9.0506 121.3438 57.1303 65.8887 173.0158 45 F 5.5773 7.4994 114.6495 55.9404 41.0581 173.4375 46 A 4.7433 9.3369 121.3521 49.8468 22.6002 176.8874 47 G 4.0547 8.6390 106.8379 45.5381 0.0000 171.4655 48 E 3.8367 8.6039 122.4748 57.2520 29.6811 178.8771 49 A 3.6948 7.8262 127.7641 54.7658 19.9745 179.1977 50 G 3.7982 8.1371 100.5806 47.3558 0.0000 175.1070 51 D 4.6148 8.2467 121.2745 57.9871 40.8252 178.3868 52 T 3.6884 7.9097 112.4819 66.0622 67.1743 175.8934 53 V 3.0768 7.4633 118.6191 65.8650 31.8606 177.8912 54 Q 3.9857 7.7597 117.5531 59.1017 28.5792 179.0908 55 F 3.7172 8.4876 121.2903 61.0903 39.3522 176.7215 56 A 3.7556 7.4084 119.8613 55.4536 18.0681 179.5506 57 E 3.8471 8.4379 117.2073 59.4468 29.3188 179.0370 58 Y 4.1047 7.9335 119.7445 60.7773 38.8767 178.1391 59 I 3.3516 7.6692 121.1438 64.0315 37.0401 178.1473 60 Q 3.7870 8.1293 120.3509 59.2300 28.9587 178.0334 61 A 3.9292 7.9408 121.6823 55.5723 18.3177 179.4325 62 N 4.2189 7.7136 114.5443 56.2669 38.4593 177.8849 63 I 3.5125 7.4917 121.2953 64.2892 37.1849 178.3797 64 Q 3.9685 8.1631 119.0718 58.9221 28.5653 178.7360 65 L 3.9289 7.9417 121.2496 58.3148 42.1102 178.4120 66 Y 3.8856 7.9459 119.4764 60.6772 38.6836 178.1636 67 S 4.8237 8.4649 117.8066 61.2806 62.7411 176.7800 68 I 3.6963 7.6547 121.2696 64.2626 36.9099 178.1827 69 R 3.9512 7.7778 118.3538 59.0129 30.0880 177.6010 70 E 4.2336 7.7404 114.5177 54.8475 31.0674 175.1304 71 D 4.4443 8.0812 118.4241 54.4594 40.4454 171.5655 72 Y 4.7225 7.2687 118.2733 56.6546 42.2318 172.3613 73 E 4.6886 7.5578 124.4084 53.8064 30.7646 175.7183 74 L 4.1004 8.4743 126.6488 54.9194 42.3990 178.1645 75 S 4.3299 8.3600 116.4346 57.6090 65.0126 173.6810 76 P 4.1744 0.0000 0.0000 65.7742 31.1507 178.5002 77 Q 3.9257 8.1699 117.6410 59.2645 28.8321 178.4994 78 A 3.9047 7.8571 121.3962 55.2803 18.5343 179.4892 79 V 3.4905 7.8717 117.1758 66.4171 31.4514 178.4162 80 S 4.2238 8.4271 114.0067 61.6315 62.9388 176.6635 81 S 4.2904 8.1437 118.7499 61.0123 62.5035 176.5378 82 F 4.0674 8.4171 123.5397 61.3861 39.2234 177.3872 83 V 3.6306 8.0932 117.9081 65.8643 31.1911 177.9714 84 R 3.8568 8.5230 118.9127 59.5347 30.1431 178.1852 85 Q 3.8694 8.0083 119.3440 59.2514 28.9468 178.2567 86 E 3.9817 8.0548 119.4708 59.4439 29.5512 179.3894 87 L 3.9637 8.0825 118.8037 57.7502 41.4775 179.3660 88 A 4.0561 8.5470 120.0911 55.1185 18.3861 179.5860 89 K 4.0386 8.1030 116.9480 59.4431 32.3859 179.2594 90 S 3.9683 8.1854 113.2615 61.8765 62.0514 176.4649 90A I 3.7388 7.7170 120.3175 63.2561 37.6659 176.5598 90B R 4.4706 7.9474 117.0382 55.7908 30.1154 176.1631 91 S 4.5843 7.3848 113.7925 56.5258 65.0992 174.1144 92 R 3.8893 8.5555 119.7737 58.9457 29.5782 176.7350 93 R 4.3598 7.3563 119.4799 53.1690 30.7224 172.2910 94 P 4.3775 0.0000 0.0000 62.1454 32.0985 176.1880 95 Y 4.3001 9.0200 121.0857 58.4271 38.5714 176.9891 96 Q 4.5708 8.8144 125.4502 54.2845 27.5631 174.2448 97 V 4.8533 7.4588 119.3029 60.9164 35.4643 174.1168 98 N 5.2270 9.1095 123.4867 51.7862 41.8747 173.9239 99 V 5.1590 8.2676 113.4643 60.0495 36.5382 174.2346 100 L 4.8550 9.0441 121.7463 53.0712 45.1117 175.7271 101 I 4.8225 8.6449 124.0745 59.5138 39.5993 174.9887 102 G 4.2017 9.6542 115.7905 44.3703 0.0000 172.1057 103 G 4.5768 8.5969 110.3828 45.2758 0.0000 171.3103 104 Y 4.5798 8.5282 122.4501 55.3552 40.2975 175.2632 105 D 4.3879 8.1639 125.2766 54.4892 41.3939 175.6208 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 4.40 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 1 D 8.27 4.58 0.00 2.79 2.57 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 2 I 8.75 4.23 1.86 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 1.22 1.22 0.90 0.00 0.00 3 I 8.25 4.83 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 0.90 0.00 0.00 4 L 9.51 4.89 0.00 1.61 1.52 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.28 4.54 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 6 I 9.05 4.67 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 1.42 0.96 0.00 0.00 7 R 8.73 4.67 0.00 1.86 1.84 0.00 3.26 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 1.54 1.65 0.00 8 V 8.25 4.29 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 0.71 0.00 0.00 1.02 0.00 0.00 9 Q 8.89 4.14 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.50 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 10 D 7.49 5.14 0.00 2.69 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 11 S 7.42 4.68 0.00 3.96 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 12 V 8.40 4.89 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 0.86 0.00 0.00 1.02 0.00 0.00 13 I 9.10 4.57 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 1.31 0.88 0.91 0.00 0.00 14 L 8.57 5.19 0.00 1.45 1.52 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.71 4.77 1.21 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 0.00 0.00 0.00 0.00 0.00 16 S 8.42 5.06 0.00 3.60 3.61 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 0.00 0.00 0.00 0.00 17 S 8.69 4.32 0.00 3.88 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 18 K 8.90 4.84 0.00 1.76 1.92 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.24 7.81 19 A 7.91 4.63 1.22 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 0.00 0.00 20 V 8.65 4.24 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 0.99 0.00 0.00 0.96 0.00 0.00 21 T 8.49 4.76 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 1.26 0.00 0.00 22 R 8.49 4.45 0.00 1.76 1.84 0.00 3.41 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 23 G 8.71 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 24 I 8.91 3.92 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 1.42 0.88 0.91 0.00 0.00 25 S 7.80 4.69 0.00 3.89 3.73 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 26 V 7.82 4.47 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 1.07 0.00 0.00 0.94 0.00 0.00 27 L 8.16 4.00 0.00 1.75 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.63 4.66 0.00 1.81 1.59 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 29 D 8.70 4.94 0.00 2.77 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 30 S 7.79 4.78 0.00 3.83 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 31 D 8.58 4.40 0.00 2.80 2.63 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 32 D 8.66 4.83 0.00 2.71 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 33 K 7.76 3.98 0.00 1.59 1.42 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.40 7.81 34 T 6.91 4.87 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 1.20 0.00 0.00 35 R 8.97 4.80 0.00 1.86 1.79 0.00 3.38 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 36 Q 8.61 4.53 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 37 L 8.64 4.15 0.00 1.67 1.65 0.91 0.87 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 38 S 7.57 4.62 0.00 4.02 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 39 P 0.00 4.25 0.00 2.10 2.21 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 40 H 9.15 4.98 0.00 3.21 3.48 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.13 5.06 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 42 L 9.54 5.19 0.00 1.67 1.56 0.96 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.89 5.35 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 44 S 9.05 5.14 0.00 3.75 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 45 F 7.50 5.58 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 46 A 9.34 4.74 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 47 G 8.64 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 48 E 8.60 3.84 0.00 2.06 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 2.40 2.35 0.00 49 A 7.83 3.69 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 50 G 8.14 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 0.00 0.00 0.00 51 D 8.25 4.61 0.00 2.78 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 52 T 7.91 3.69 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 V 7.46 3.08 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 0.97 0.00 0.00 0.99 0.00 0.00 54 Q 7.76 3.99 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 55 F 8.49 3.72 0.00 2.33 2.79 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 56 A 7.41 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.44 3.85 0.00 2.03 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 2.32 2.38 0.00 58 Y 7.93 4.10 0.00 3.02 2.99 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 59 I 7.67 3.35 1.65 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.04 0.84 0.00 0.00 60 Q 8.13 3.79 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 61 A 7.94 3.93 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 62 N 7.71 4.22 0.00 2.60 2.49 0.00 0.00 7.04 8.59 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 63 I 7.49 3.51 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.86 0.00 0.00 64 Q 8.16 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 65 L 7.94 3.93 0.00 1.81 1.80 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.95 3.89 0.00 3.12 2.97 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 67 S 8.46 4.82 0.00 4.09 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 68 I 7.65 3.70 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.89 0.00 0.00 69 R 7.78 3.95 0.00 1.77 1.84 0.00 3.01 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 70 E 7.74 4.23 0.00 1.68 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 2.06 2.17 0.00 71 D 8.08 4.44 0.00 2.74 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 72 Y 7.27 4.72 0.00 3.18 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.56 4.69 0.00 1.82 1.59 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 2.11 2.25 0.00 74 L 8.47 4.10 0.00 1.45 1.42 -0.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.36 4.33 0.00 4.02 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 76 P 0.00 4.17 0.00 2.15 2.13 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 77 Q 8.17 3.93 0.00 2.06 2.10 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 2.43 2.39 0.00 78 A 7.86 3.90 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 79 V 7.87 3.49 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 1.02 0.00 0.00 0.84 0.00 0.00 80 S 8.43 4.22 0.00 4.11 4.13 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 0.00 0.00 0.00 0.00 81 S 8.14 4.29 0.00 4.10 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 82 F 8.42 4.07 0.00 3.02 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 83 V 8.09 3.63 2.33 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 1.17 0.00 0.00 1.11 0.00 0.00 84 R 8.52 3.86 0.00 1.99 1.92 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 85 Q 8.01 3.87 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 86 E 8.05 3.98 0.00 2.27 2.28 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 1.64 2.16 0.00 87 L 8.08 3.96 0.00 1.86 1.65 0.88 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.55 4.06 1.33 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 0.00 0.00 0.00 89 K 8.10 4.04 0.00 2.07 1.86 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.70 7.81 90 S 8.19 3.97 0.00 4.09 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 0.00 90A I 7.72 3.74 2.01 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 1.50 1.18 0.92 0.00 0.00 90B R 7.95 4.47 0.00 1.80 1.89 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 91 S 7.38 4.58 0.00 3.92 3.83 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 0.00 0.00 0.00 92 R 8.56 3.89 0.00 1.74 1.94 0.00 3.14 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 93 R 7.36 4.36 0.00 1.66 1.65 0.00 3.25 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 94 P 0.00 4.38 0.00 2.03 2.01 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 95 Y 9.02 4.30 0.00 2.71 2.51 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 96 Q 8.81 4.57 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 97 V 7.46 4.85 1.69 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 0.86 0.00 0.00 0.84 0.00 0.00 98 N 9.11 5.23 0.00 2.79 2.68 0.00 0.00 6.68 7.36 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 99 V 8.27 5.16 2.34 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 0.93 0.00 0.00 1.06 0.00 0.00 100 L 9.04 4.85 0.00 1.55 1.53 0.92 1.14 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 0.00 101 I 8.64 4.82 1.91 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 1.33 0.68 0.93 0.00 0.00 102 G 9.65 4.20 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 0.00 0.00 0.00 103 G 8.60 4.58 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 0.00 104 Y 8.53 4.58 0.00 3.00 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 0.00 105 D 8.16 4.39 0.00 2.54 2.31 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