NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1213 8.1133 120.8615 56.7098 31.2067 175.0668 3 H 3.6939 8.0173 119.3241 55.3321 26.3118 172.5893 4 L 3.6709 9.3492 124.4592 55.3475 40.0177 174.2239 5 K 4.3171 7.9185 118.6363 55.5746 32.5636 176.4495 6 S 4.5966 8.5376 120.5472 57.0634 64.3565 173.1564 7 G 4.0236 8.9488 114.0394 44.5603 0.0000 174.1048 8 R 4.3136 8.5654 124.5208 56.0708 31.2744 175.9314 9 K 4.6763 7.7820 116.3474 61.4740 33.1758 177.5966 10 L 3.4088 8.1470 119.0772 59.9723 39.0055 178.3581 11 N 3.9809 8.3801 120.6432 53.7081 35.6760 174.2895 12 R 4.5424 7.1114 119.3556 55.1110 35.0370 174.7490 13 H 4.7655 8.7308 116.1189 54.9210 29.8007 177.0112 14 S 3.3830 7.2861 113.3906 58.8784 64.5264 175.9724 15 S 4.0402 8.1433 115.5773 61.5011 62.4435 175.9636 16 H 4.0845 8.7892 121.2791 58.1481 29.5729 176.8098 17 R 3.5041 7.6180 119.6549 59.4847 30.0118 177.7675 18 L 3.6508 8.2249 119.7122 58.2209 41.9399 178.4508 19 A 3.9559 7.6416 119.9989 55.9622 18.2403 178.5468 20 L 3.7951 8.0973 117.9589 58.6396 41.9158 178.5360 21 Y 4.0582 7.9950 115.6312 61.3423 37.9478 179.6089 22 R 3.9775 7.8231 118.4016 59.5045 30.2268 178.9299 23 N 4.4975 8.8646 116.0017 55.4833 38.2486 177.5158 24 Q 3.9794 8.1991 119.9905 58.6165 29.1671 177.7934 25 A 4.1282 7.8746 121.6873 55.3758 18.2275 179.6783 26 K 3.9287 8.5673 115.9882 59.7167 32.3861 179.5231 27 S 4.2922 7.6087 114.7743 61.4868 62.7551 176.4064 28 L 4.3412 8.9830 123.5808 57.0932 41.5341 177.7210 29 L 4.6575 7.8041 116.5377 55.1230 42.2345 176.6137 30 T 4.4610 8.2146 115.4432 63.7468 70.3853 174.6442 31 H 4.8250 7.8235 115.6054 54.0393 30.9525 176.2223 32 G 3.8941 8.2089 109.3366 46.0115 0.0000 173.6860 33 R 5.1090 8.6934 118.3145 54.3912 32.9461 175.4612 34 I 4.7625 9.4577 124.1936 59.7717 41.8643 174.7197 35 T 5.4047 8.8004 120.7554 61.2790 71.0887 172.6461 36 T 4.5530 8.0698 120.6994 61.1329 72.4624 173.5490 37 T 4.4469 8.0553 116.4326 63.3603 69.5406 175.6301 38 V 3.5284 8.0467 123.6787 65.8341 31.3504 176.5510 39 P 4.2163 0.0000 0.0000 65.7950 31.4707 178.1943 40 K 4.0313 8.1513 116.1739 60.0330 32.0445 178.2828 41 A 3.9011 8.1588 120.2455 55.4907 18.0432 179.7278 42 K 3.9055 8.1858 117.3944 58.9433 32.4083 178.0710 43 E 4.2235 7.9943 119.0483 58.0911 30.1720 177.5877 44 L 3.6434 8.1122 120.9622 57.7572 41.8878 179.2413 45 R 3.9777 7.9472 115.9098 59.2645 29.6371 178.6576 46 G 3.7461 8.1162 106.8713 47.1904 0.0000 174.7936 47 F 4.0230 7.6289 122.8184 61.1110 39.3310 177.4681 48 V 3.6632 8.1107 117.6715 65.9139 31.3484 177.3159 49 D 4.4813 8.8250 119.5312 58.0222 40.7493 178.7884 50 H 4.0484 8.0411 117.7127 59.3280 29.6635 177.2871 51 L 3.9470 7.1831 119.2641 57.7641 41.5210 178.9590 52 I 3.7120 7.6394 120.7383 63.6947 36.8249 177.3520 53 H 3.6481 7.9091 119.5151 58.8763 29.5067 177.3642 54 L 3.7371 7.6510 121.9253 58.2557 41.8970 178.6352 55 A 2.7989 8.0537 121.0027 54.2652 17.9009 179.2586 56 K 3.5758 6.7994 117.6300 59.9771 32.3297 178.7976 57 R 3.9681 7.5805 118.2756 57.6114 29.7822 179.5555 58 G 3.6673 7.4560 104.9722 46.0347 0.0000 174.0937 59 D 4.5769 7.4118 120.2932 53.2348 41.0783 177.0357 60 L 3.9592 8.5654 121.5702 58.8090 41.8803 178.4399 61 H 4.1158 8.4929 117.2077 59.5073 29.5973 176.5457 62 A 4.0052 8.0123 120.8375 55.2159 18.0965 179.5455 63 R 3.4765 8.0789 116.7984 59.7612 29.9961 178.8064 64 R 3.5556 8.1045 116.7125 59.3505 30.2874 178.9183 65 L 4.0523 8.0723 118.8870 57.6378 41.7879 179.2064 66 V 3.5074 7.9736 118.3142 66.3133 31.4954 177.7032 67 L 4.1268 8.5835 120.5479 58.3113 41.4390 179.2815 68 R 3.9697 8.1503 117.6368 59.0297 30.0859 177.8786 69 D 4.6967 8.4573 117.6876 55.8250 41.5163 177.9661 70 L 4.3710 7.8637 118.3760 54.4026 42.5300 178.6814 71 Q 3.4712 7.9870 113.7872 56.3508 28.2221 172.9592 72 D 4.6410 7.7445 118.0943 52.3013 40.9580 176.5362 73 V 3.4662 8.4811 125.9794 66.7929 31.6370 176.7122 74 K 3.6403 8.3469 117.7681 59.7120 31.7448 177.5338 75 L 3.9061 8.2756 119.9665 58.5395 42.1005 179.9987 76 V 3.5903 8.2306 119.2911 64.7045 31.1922 178.5020 77 R 3.8116 8.2383 119.0930 58.8888 29.9116 178.6326 78 K 3.8433 8.1410 118.7401 59.7685 32.0689 178.0751 79 L 4.0045 7.9247 120.1477 58.9926 41.9351 178.3306 80 F 4.2037 8.8981 117.5909 59.0178 40.0837 175.8539 81 D 4.7420 8.5537 122.4103 50.5202 38.5682 175.4853 82 E 5.3889 7.3060 130.1705 57.4452 32.1625 176.8794 83 I 4.2458 7.2758 118.3129 63.0612 38.9280 177.4879 84 A 4.0533 8.6227 122.5361 55.0881 18.0907 177.8641 85 P 4.2327 0.0000 0.0000 65.7305 31.1208 178.3889 86 R 4.1638 7.4149 112.5874 57.0638 29.9201 176.6239 87 Y 4.8535 8.0828 114.6809 57.4500 40.9577 177.5382 88 R 3.7902 7.4591 119.9693 58.9028 30.4237 176.3397 89 D 4.6648 7.9266 114.9293 54.2578 42.1547 176.1032 90 R 4.0975 8.5256 120.5561 55.5823 29.7626 175.9746 91 Q 4.4000 9.8401 128.2289 55.6769 28.6770 174.8992 92 G 3.4662 7.6541 116.2976 44.4890 0.0000 171.9322 93 G 3.8188 7.6823 113.5275 44.9042 0.0000 172.1221 94 Y 4.2889 8.1531 122.2483 57.9909 39.2178 174.8092 95 T 4.8895 7.5799 113.4374 60.6127 70.7890 172.5688 96 R 4.7520 9.2813 128.3499 54.4610 33.5789 174.3882 97 V 4.9712 8.3527 123.7107 61.2007 33.9816 174.3839 98 L 4.8674 9.3296 128.6920 52.6585 44.9704 175.9659 99 K 4.5285 8.5942 122.5557 56.1751 32.7606 176.4602 100 L 4.2678 8.9984 126.6677 53.8825 42.3536 178.0809 101 A 4.2126 8.7793 128.2731 50.0123 16.6201 174.3238 102 E 5.7063 7.7670 124.9951 56.1779 31.2374 178.6902 103 R 4.2032 8.2459 124.4775 55.4395 31.9496 174.8872 104 R 4.5050 8.2124 118.1473 54.9342 31.4721 176.4116 105 R 4.7206 8.6310 126.3852 54.8124 27.8228 175.1585 106 G 4.8001 7.8200 121.5547 46.2706 0.0000 170.7854 107 D 4.5081 8.3094 114.7787 52.7529 43.9088 175.1206 108 G 3.6710 8.1337 108.1129 46.5659 0.0000 174.1402 109 A 4.3332 8.1557 123.6526 49.7039 18.9702 176.4010 110 P 4.3333 0.0000 0.0000 64.2792 32.1705 175.4342 111 L 5.0247 8.6002 121.5814 53.1521 44.9768 175.0046 112 A 5.2481 8.6979 122.1843 50.0866 23.3748 174.6162 113 L 5.0168 9.2608 121.5112 53.3314 44.8685 175.2495 114 V 4.8942 9.1165 127.1224 61.3200 33.6460 174.2626 115 E 5.2892 9.3817 126.8202 54.4205 34.1689 175.2948 116 L 4.8926 8.7862 123.2565 53.9270 41.8932 177.1889 117 V 3.5760 7.6579 123.5737 61.4620 31.6442 176.2278 118 E 4.7248 8.7751 124.3886 57.0701 29.9122 176.1494 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 2 R 8.11 4.12 0.00 1.89 1.85 0.00 3.11 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 3 H 8.02 3.69 0.00 3.28 3.23 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.35 3.67 0.00 1.82 1.77 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.92 4.32 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.57 7.81 6 S 8.54 4.60 0.00 3.86 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 7 G 8.95 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 0.00 0.00 0.00 0.00 8 R 8.57 4.31 0.00 1.90 1.92 0.00 3.39 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 9 K 7.78 4.68 0.00 1.86 1.95 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 10 L 8.15 3.41 0.00 1.63 1.64 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.38 3.98 0.00 2.79 3.14 0.00 0.00 6.67 7.18 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 12 R 7.11 4.54 0.00 1.59 1.57 0.00 2.97 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.67 0.00 13 H 8.73 4.77 0.00 3.32 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.29 3.38 0.00 4.10 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 15 S 8.14 4.04 0.00 3.94 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 16 H 8.79 4.08 0.00 2.71 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.62 3.50 0.00 1.68 1.86 0.00 3.16 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 1.18 0.84 0.00 18 L 8.22 3.65 0.00 1.77 1.82 1.01 1.08 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 19 A 7.64 3.96 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 20 L 8.10 3.80 0.00 1.66 1.59 0.92 1.11 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 21 Y 7.99 4.06 0.00 2.69 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.82 3.98 0.00 2.08 2.14 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 23 N 8.86 4.50 0.00 2.81 2.87 0.00 0.00 7.12 8.27 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 24 Q 8.20 3.98 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 25 A 7.87 4.13 1.65 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 0.00 0.00 26 K 8.57 3.93 0.00 1.72 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.72 7.81 27 S 7.61 4.29 0.00 4.27 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 28 L 8.98 4.34 0.00 1.59 1.71 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.80 4.66 0.00 1.98 1.70 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.21 4.46 4.29 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 0.91 0.00 0.00 31 H 7.82 4.82 0.00 3.28 3.26 0.00 5.74 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 32 G 8.21 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 33 R 8.69 5.11 0.00 1.65 1.84 0.00 3.13 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 34 I 9.46 4.76 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.26 0.93 0.00 0.00 35 T 8.80 5.40 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 1.27 0.00 0.00 36 T 8.07 4.55 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 37 T 8.06 4.45 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 1.24 0.00 0.00 38 V 8.05 3.53 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 1.11 0.00 0.00 0.98 0.00 0.00 39 P 0.00 4.22 0.00 2.07 2.14 0.00 3.75 0.00 0.00 3.66 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 40 K 8.15 4.03 0.00 1.95 2.02 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 41 A 8.16 3.90 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 42 K 8.19 3.91 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 43 E 7.99 4.22 0.00 2.16 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 2.30 1.80 0.00 44 L 8.11 3.64 0.00 1.68 1.77 0.94 0.80 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 45 R 7.95 3.98 0.00 2.08 2.18 0.00 3.04 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 46 G 8.12 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.63 4.02 0.00 3.02 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 48 V 8.11 3.66 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 1.08 0.00 0.00 1.18 0.00 0.00 49 D 8.83 4.48 0.00 3.10 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 50 H 8.04 4.05 0.00 3.20 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.18 3.95 0.00 1.72 1.67 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.64 3.71 1.44 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 1.42 0.66 -0.20 0.00 0.00 53 H 7.91 3.65 0.00 3.01 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.65 3.74 0.00 1.86 1.59 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.05 2.80 1.15 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 0.00 0.00 56 K 6.80 3.58 0.00 1.36 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.31 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.44 7.81 57 R 7.58 3.97 0.00 1.90 1.93 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 58 G 7.46 3.67 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 0.00 0.00 0.00 59 D 7.41 4.58 0.00 2.91 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 60 L 8.57 3.96 0.00 1.81 1.76 0.93 0.85 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 61 H 8.49 4.12 0.00 3.22 3.57 0.00 5.76 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 62 A 8.01 4.01 1.61 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 0.00 0.00 63 R 8.08 3.48 0.00 1.78 2.07 0.00 3.00 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.03 0.00 64 R 8.10 3.56 0.00 1.96 1.99 0.00 3.37 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 65 L 8.07 4.05 0.00 1.95 1.66 0.65 0.97 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 66 V 7.97 3.51 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 0.91 0.00 0.00 1.14 0.00 0.00 67 L 8.58 4.13 0.00 1.90 1.64 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.15 3.97 0.00 1.92 1.98 0.00 3.20 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 69 D 8.46 4.70 0.00 2.62 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 70 L 7.86 4.37 0.00 1.67 1.71 0.94 1.10 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 71 Q 7.99 3.47 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 72 D 7.74 4.64 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 3.47 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 0.84 0.00 0.00 0.89 0.00 0.00 74 K 8.35 3.64 0.00 1.89 1.70 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 75 L 8.28 3.91 0.00 1.88 1.84 0.94 0.88 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 76 V 8.23 3.59 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 0.62 0.00 0.00 0.62 0.00 0.00 77 R 8.24 3.81 0.00 2.04 2.19 0.00 3.17 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 78 K 8.14 3.84 0.00 1.83 2.07 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.73 7.81 79 L 7.92 4.00 0.00 2.01 2.02 1.08 1.14 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 80 F 8.90 4.20 0.00 3.09 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 81 D 8.55 4.74 0.00 2.79 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 82 E 7.31 5.39 0.00 1.98 2.24 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 2.07 2.12 0.00 83 I 7.28 4.25 2.15 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 1.31 1.35 1.14 0.00 0.00 84 A 8.62 4.05 1.27 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 0.00 0.00 85 P 0.00 4.23 0.00 2.15 2.10 0.00 3.51 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 86 R 7.41 4.16 0.00 1.53 1.74 0.00 3.13 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 87 Y 8.08 4.85 0.00 3.17 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 88 R 7.46 3.79 0.00 1.77 1.96 0.00 3.40 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 89 D 7.93 4.66 0.00 2.70 2.70 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 0.00 0.00 0.00 0.00 90 R 8.53 4.10 0.00 1.84 2.10 0.00 3.43 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 91 Q 9.84 4.40 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 92 G 7.65 3.47 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 0.00 0.00 0.00 0.00 93 G 7.68 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 94 Y 8.15 4.29 0.00 2.70 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 0.00 0.00 0.00 95 T 7.58 4.89 4.27 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 1.32 0.00 0.00 96 R 9.28 4.75 0.00 1.87 1.74 0.00 3.10 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 97 V 8.35 4.97 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 0.94 0.00 0.00 0.93 0.00 0.00 98 L 9.33 4.87 0.00 1.55 1.51 0.93 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.59 4.53 0.00 1.64 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 100 L 9.00 4.27 0.00 1.59 1.61 0.96 1.06 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 0.00 101 A 8.78 4.21 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 0.00 102 E 7.77 5.71 0.00 2.15 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 2.04 2.07 0.00 103 R 8.25 4.20 0.00 1.82 1.95 0.00 3.44 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 104 R 8.21 4.50 0.00 1.81 1.98 0.00 3.18 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 105 R 8.63 4.72 0.00 1.81 1.85 0.00 3.56 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 106 G 7.82 4.80 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 0.00 107 D 8.31 4.51 0.00 2.75 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 0.00 108 G 8.13 3.67 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 0.00 0.00 0.00 109 A 8.16 4.33 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 0.00 110 P 0.00 4.33 0.00 2.12 2.22 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 111 L 8.60 5.02 0.00 1.61 1.59 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.70 5.25 1.20 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 0.00 113 L 9.26 5.02 0.00 1.71 1.51 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.12 4.89 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 0.94 0.00 0.00 0.94 0.00 0.00 115 E 9.38 5.29 0.00 1.88 1.80 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 2.25 2.28 0.00 116 L 8.79 4.89 0.00 1.66 1.88 1.03 0.79 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 0.00 117 V 7.66 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 118 E 8.78 4.72 0.00 2.00 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 1.97 2.06 0.00