NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4567 8.1933 115.2938 58.4360 64.3623 175.9375 0 S 4.0681 7.9096 116.1011 60.6605 62.4529 174.5822 1 Y 4.0673 7.8820 122.3478 60.5361 38.7551 177.4284 2 T 3.8692 7.4570 108.9062 64.3678 68.9814 176.0517 3 S 4.3502 7.5376 115.9813 58.4626 63.3838 174.4191 4 I 3.8319 6.6713 124.1434 60.8515 37.5043 176.0031 5 T 3.9583 8.4806 121.8472 64.0818 69.3929 173.0087 6 K 4.9504 8.4993 125.1777 54.9129 33.9816 175.9664 7 L 4.5315 8.7663 125.8405 54.4883 41.8995 176.9711 8 T 4.6362 9.7328 112.3411 59.9233 70.6479 173.5770 9 N 5.0002 7.7453 118.9572 50.6496 41.5591 174.9814 10 L 4.2154 8.4763 120.1275 57.8624 41.6120 180.0126 11 T 3.8958 7.9948 115.5845 66.8305 68.5082 176.1026 12 E 4.0389 8.7673 120.6637 59.5569 29.4307 179.4879 13 F 4.2538 8.1290 119.8542 61.5608 39.5973 177.4615 14 R 3.6521 8.3671 117.8885 59.1217 29.7828 178.8090 15 N 4.2688 8.7384 116.6022 56.2223 38.3973 176.8613 16 L 3.8845 8.1339 122.0018 58.5970 41.9459 179.2839 17 I 3.5658 7.2706 118.9961 64.0114 36.7799 178.2372 18 K 3.9899 7.9513 119.5979 58.3821 32.1514 177.8714 19 Q 4.5216 7.9288 115.7153 54.5448 29.4273 174.9536 20 N 5.0132 7.2212 117.3687 51.1798 42.2183 174.0802 21 D 4.5942 8.8683 122.8974 56.9918 42.2310 176.7148 22 K 5.1506 7.8466 116.6713 54.6029 36.6287 175.6120 23 L 5.0845 8.8492 123.5175 54.3466 44.7808 175.0301 24 V 4.8555 8.4721 119.0624 61.2916 35.1700 173.9074 25 I 4.8015 8.9733 128.8494 59.5553 39.7737 174.4353 26 D 4.8869 9.2704 128.9787 53.4615 42.1058 175.2798 27 F 5.0705 9.1705 127.5385 56.8672 40.0725 174.7708 28 Y 5.2550 8.8408 121.3253 55.0379 42.1352 173.9613 29 A 4.4382 7.8175 119.4653 49.7956 22.1024 177.4740 30 T 3.8589 8.2473 110.2005 64.2704 68.9977 175.4573 31 W 4.3676 7.1965 116.3322 57.0441 28.8735 176.8566 32 C 4.8342 7.7430 121.0950 55.2414 44.3477 173.8701 33 G 3.5956 8.6449 115.5527 47.6850 0.0000 172.5814 34 P 4.3520 0.0000 0.0000 64.9579 31.4682 179.1679 35 C 4.4641 8.1394 115.1701 59.9873 39.5047 176.0148 36 K 3.7081 7.8252 119.5124 59.7344 31.4048 179.3214 37 M 4.1135 7.9347 117.7810 58.4500 32.0386 178.2056 38 M 4.3116 7.7968 117.9553 57.0672 32.1752 178.4017 39 Q 3.6186 7.6914 119.4571 58.4429 28.8781 177.2323 40 P 4.3190 0.0000 0.0000 66.0497 31.2385 178.1848 41 H 4.1041 8.0043 115.6187 58.6317 28.6954 177.4981 42 L 3.9236 8.2207 121.1224 57.9407 41.5512 179.4035 43 T 3.7867 8.2382 116.1391 66.7558 68.3953 176.3456 44 K 4.3558 7.8228 122.4051 59.0300 32.2210 178.7687 45 L 4.1391 7.8675 119.2365 57.8210 41.2906 179.4603 46 I 2.9750 7.0535 118.7555 64.2176 37.1760 178.1522 47 Q 4.0641 7.8358 118.2289 58.9707 28.4010 178.6103 48 A 4.0848 7.9373 119.6663 53.1059 20.1683 177.1588 49 Y 4.6942 7.7830 115.1811 55.5634 38.0331 174.6395 50 P 4.4316 0.0000 0.0000 65.1311 32.1187 177.8799 51 D 4.6952 8.1547 116.9471 54.2869 41.1669 175.6354 52 V 4.4463 7.7141 120.2650 60.9271 33.5977 174.8621 53 R 4.3955 8.7860 129.0098 55.7067 31.1940 174.6960 54 F 5.2391 9.0170 125.2171 56.0798 40.9931 175.4234 55 V 4.8676 8.8695 115.7433 59.5558 36.6019 174.2272 56 K 5.1152 8.9519 120.2994 55.4761 36.5205 174.9843 57 C 4.7681 9.1170 121.3870 57.8246 34.9241 172.4159 58 D 3.9081 8.5379 126.9532 53.4233 40.7403 177.0213 59 V 3.6233 8.3783 121.3010 64.3863 32.0538 178.7139 60 D 4.4639 8.2261 120.0942 56.3445 41.0388 177.4144 61 E 4.2190 8.1859 115.6818 57.7916 30.9318 176.6129 62 S 4.7633 8.1631 115.4455 55.9785 63.4390 173.2589 63 P 4.4752 0.0000 0.0000 65.4699 31.4600 178.2419 64 D 4.3170 7.9868 118.4206 57.1278 40.8734 178.5641 65 I 3.3484 7.5975 119.7206 64.1422 37.1403 178.0247 66 A 3.5448 7.8055 121.2042 54.8629 18.1563 179.5949 67 K 3.7449 8.2777 118.4360 59.6753 32.0904 178.6799 68 E 3.9382 7.8482 118.2368 58.9387 29.5194 177.5205 69 C 4.3888 7.4700 113.9533 58.0982 29.2208 173.4358 70 E 3.5348 7.7663 119.4057 57.1694 27.0993 176.7329 71 V 3.6705 7.6856 118.2096 62.6483 31.2799 175.2411 72 T 4.5026 8.3515 115.9598 61.1132 69.8341 173.7609 73 A 4.7549 7.6312 123.7238 50.9440 22.2896 175.1062 74 M 4.7069 8.4718 120.3098 52.6648 34.7675 174.3379 75 P 4.6741 0.0000 0.0000 62.9434 33.6058 174.9547 76 T 4.9154 8.2313 115.8236 61.7947 72.7839 173.0183 77 F 5.4092 9.4229 124.9478 55.8892 41.6069 174.5685 78 V 4.7756 9.0692 124.7801 61.5880 33.4086 174.5317 79 L 5.2385 9.0001 127.6819 53.1784 44.5521 175.7185 80 G 4.4631 8.7465 108.2331 44.9410 0.0000 171.3911 81 K 4.8337 9.3526 121.0145 55.8868 36.3182 175.3781 82 D 4.5997 9.9199 127.9323 55.6052 38.9051 174.7466 83 G 4.0494 9.0177 103.5969 45.2779 0.0000 173.4042 84 Q 4.5496 7.7569 116.0401 53.8996 31.7718 174.1853 85 L 4.5906 8.3977 119.8912 54.7167 42.4136 176.8060 86 I 4.3428 8.8305 115.9791 60.4409 39.8868 175.2758 87 G 4.0533 7.1366 108.0013 46.3975 0.0000 171.4746 88 K 5.2863 8.5331 117.6843 54.6879 36.2842 176.2112 89 I 4.5368 9.1297 124.8697 59.8006 39.3876 174.5154 90 I 4.6375 8.7668 127.9044 60.7206 38.9404 176.6007 91 G 4.0028 9.1683 112.3458 45.0816 0.0000 174.4237 92 A 4.4815 8.0633 122.2413 51.5570 16.1979 176.5673 93 N 4.8839 7.8121 118.5021 49.4371 40.0159 172.7386 94 P 4.1702 0.0000 0.0000 65.3880 31.6280 178.6114 95 T 3.8036 7.8352 114.9328 66.5458 68.4616 176.2701 96 A 3.9991 8.3008 122.6385 54.8269 18.3868 179.3294 97 L 3.7678 7.9531 118.9020 58.3287 42.1413 178.8521 98 E 3.8175 8.4102 119.5360 59.0296 29.6771 178.4219 99 K 3.9296 8.1575 119.8033 59.6961 31.9941 178.8833 100 G 3.6063 7.9433 104.4607 47.8622 0.0000 175.4448 101 I 3.6818 7.7120 122.1404 63.8793 36.8405 178.4314 102 K 3.9438 8.0096 119.9256 59.4422 32.1329 178.0407 103 D 4.5550 7.7640 116.7729 55.5950 40.9646 176.3790 104 L 4.1374 7.5093 124.5145 54.9553 41.5811 176.7135 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 S 8.19 4.46 0.00 3.87 3.92 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 0 S 7.91 4.07 0.00 3.99 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 1 Y 7.88 4.07 0.00 2.97 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 2 T 7.46 3.87 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 1.24 0.00 0.00 3 S 7.54 4.35 0.00 3.77 3.92 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 4 I 6.67 3.83 1.53 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 1.19 0.44 0.78 0.00 0.00 5 T 8.48 3.96 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 6 K 8.50 4.95 0.00 1.63 1.74 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 7 L 8.77 4.53 0.00 1.47 1.64 1.04 0.76 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 8 T 9.73 4.64 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 1.33 0.00 0.00 9 N 7.75 5.00 0.00 2.98 2.93 0.00 0.00 6.28 6.67 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 10 L 8.48 4.22 0.00 1.76 1.87 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.99 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 12 E 8.77 4.04 0.00 2.22 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 2.36 2.53 0.00 13 F 8.13 4.25 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 3.65 0.00 1.89 1.92 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 15 N 8.74 4.27 0.00 2.88 2.85 0.00 0.00 6.63 6.62 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 16 L 8.13 3.88 0.00 1.82 1.81 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.27 3.57 1.74 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.78 0.00 0.00 18 K 7.95 3.99 0.00 1.72 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 19 Q 7.93 4.52 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.36 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 20 N 7.22 5.01 0.00 2.83 2.63 0.00 0.00 6.94 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 21 D 8.87 4.59 0.00 2.59 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 22 K 7.85 5.15 0.00 1.76 1.55 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 23 L 8.85 5.08 0.00 1.70 1.61 0.85 0.46 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 24 V 8.47 4.86 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 1.12 0.00 0.00 0.46 0.00 0.00 25 I 8.97 4.80 1.90 0.00 0.00 1.16 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 0.61 0.09 0.00 0.00 26 D 9.27 4.89 0.00 3.19 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 0.00 0.00 0.00 0.00 27 F 9.17 5.07 0.00 3.14 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 28 Y 8.84 5.26 0.00 3.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.44 -0.45 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 30 T 8.25 3.86 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 1.30 0.00 0.00 31 W 7.20 4.37 0.00 3.56 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 32 C 7.74 4.83 0.00 2.29 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 33 G 8.64 3.60 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 0.00 0.00 0.00 34 P 0.00 4.35 0.00 2.08 2.17 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 35 C 8.14 4.46 0.00 3.12 3.12 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 36 K 7.83 3.71 0.00 1.95 1.79 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.63 7.81 37 M 7.93 4.11 0.00 2.01 2.30 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 2.65 2.93 0.00 38 M 7.80 4.31 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.99 0.00 39 Q 7.69 3.62 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 40 P 0.00 4.32 0.00 2.11 2.23 0.00 3.62 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 1.96 1.98 0.00 41 H 8.00 4.10 0.00 3.41 3.36 0.00 5.82 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 42 L 8.22 3.92 0.00 1.84 1.81 1.10 0.81 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 43 T 8.24 3.79 4.40 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 1.17 0.00 0.00 44 K 7.82 4.36 0.00 1.83 1.92 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 45 L 7.87 4.14 0.00 1.73 1.81 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.05 2.98 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.80 0.00 0.00 47 Q 7.84 4.06 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 48 A 7.94 4.08 1.12 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 0.00 0.00 49 Y 7.78 4.69 0.00 3.56 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 50 P 0.00 4.43 0.00 2.20 2.20 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 51 D 8.15 4.70 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 4.45 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 0.11 0.00 0.00 0.93 0.00 0.00 53 R 8.79 4.40 0.00 2.03 1.88 0.00 3.18 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 54 F 9.02 5.24 0.00 2.91 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 55 V 8.87 4.87 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 0.77 0.00 0.00 0.91 0.00 0.00 56 K 8.95 5.12 0.00 1.95 1.75 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.39 7.81 57 C 9.12 4.77 0.00 2.53 1.92 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 58 D 8.54 3.91 0.00 2.31 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 0.00 0.00 0.00 0.00 59 V 8.38 3.62 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 0.79 0.00 0.00 0.95 0.00 0.00 60 D 8.23 4.46 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.22 0.00 2.06 2.03 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 2.35 2.29 0.00 62 S 8.16 4.76 0.00 3.82 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 63 P 0.00 4.48 0.00 2.24 2.31 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 64 D 7.99 4.32 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 65 I 7.60 3.35 1.99 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 1.36 1.05 0.62 0.00 0.00 66 A 7.81 3.54 1.29 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 0.00 0.00 67 K 8.28 3.74 0.00 1.81 1.91 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 68 E 7.85 3.94 0.00 1.90 1.87 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 2.40 2.45 0.00 69 C 7.47 4.39 0.00 2.48 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 70 E 7.77 3.53 0.00 1.99 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 2.22 2.17 0.00 71 V 7.69 3.67 1.72 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 0.59 0.00 0.00 -0.14 0.00 0.00 72 T 8.35 4.50 4.22 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 1.22 0.00 0.00 73 A 7.63 4.75 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 74 M 8.47 4.71 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 75 P 0.00 4.67 0.00 1.53 2.06 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 76 T 8.23 4.92 4.18 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 0.00 0.00 1.21 0.00 0.00 77 F 9.42 5.41 0.00 3.08 3.05 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 78 V 9.07 4.78 2.49 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 1.19 0.00 0.00 1.14 0.00 0.00 79 L 9.00 5.24 0.00 1.62 1.50 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.75 4.46 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 0.00 81 K 9.35 4.83 0.00 1.76 1.58 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.51 7.81 82 D 9.92 4.60 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 83 G 9.02 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 84 Q 7.76 4.55 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 85 L 8.40 4.59 0.00 1.71 1.70 1.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.83 4.34 1.87 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 1.15 0.65 0.95 0.00 0.00 87 G 7.14 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 88 K 8.53 5.29 0.00 1.63 1.72 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.47 7.81 89 I 9.13 4.54 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 1.00 0.00 0.00 90 I 8.77 4.64 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.93 0.00 0.00 91 G 9.17 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 0.00 0.00 0.00 92 A 8.06 4.48 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 93 N 7.81 4.88 0.00 2.71 2.70 0.00 0.00 6.81 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 94 P 0.00 4.17 0.00 2.22 2.04 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 95 T 7.84 3.80 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 96 A 8.30 4.00 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 97 L 7.95 3.77 0.00 1.56 1.63 0.67 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.41 3.82 0.00 2.06 1.94 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 2.37 2.38 0.00 99 K 8.16 3.93 0.00 1.91 1.94 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.51 7.81 100 G 7.94 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 0.00 0.00 0.00 101 I 7.71 3.68 1.58 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 1.20 0.52 0.20 0.00 0.00 102 K 8.01 3.94 0.00 1.85 1.99 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.66 7.81 103 D 7.76 4.55 0.00 2.85 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 0.00 104 L 7.51 4.14 0.00 1.70 1.53 0.78 0.86 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