NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4446 8.3349 115.4128 57.6163 63.8443 173.5846 2 K 4.0024 8.5928 125.1515 55.8084 32.5106 175.1594 3 T 4.3779 8.3700 114.3461 62.3244 70.4591 174.2408 4 N 4.5053 7.9855 120.4557 52.7447 40.0307 173.6951 5 P 4.3072 0.0000 0.0000 65.5306 31.4537 178.9936 6 R 3.9304 8.3008 117.3022 59.0622 30.0033 178.7261 7 L 3.9412 8.0226 119.7161 58.1545 42.1343 179.0591 8 S 4.1337 7.8883 115.0840 61.6112 62.7679 176.8973 9 S 4.0711 7.9920 117.6822 61.5060 62.5515 176.1646 10 L 3.8716 8.0926 123.3173 58.5093 41.7046 179.2465 11 I 3.6770 7.8451 119.1421 64.3128 37.0176 178.2733 12 A 4.0058 7.9994 121.6149 55.2195 18.1933 179.4719 13 D 4.2346 8.6889 117.6751 57.5284 40.9051 178.8508 14 L 3.9108 8.0969 119.6758 57.7039 41.5459 179.9439 15 K 3.9608 8.0493 118.2584 59.5862 32.0335 179.0802 16 S 4.0769 8.2050 113.2578 61.6911 62.3007 176.2686 17 A 4.0368 8.2164 122.9454 55.0842 17.9065 179.5053 18 A 4.8229 7.8387 119.8467 54.6171 18.4652 179.8569 19 R 4.1310 7.9665 115.8886 59.7960 30.5617 178.8282 20 S 4.2632 8.2453 114.1432 60.9306 63.4330 176.0635 21 S 4.5166 8.1470 116.2413 57.7751 63.7545 175.3720 22 G 3.8008 8.5685 108.7042 46.3515 0.0000 174.4030 23 G 3.7760 7.7229 109.3765 45.5167 0.0000 174.0369 24 A 4.6476 8.2252 124.1724 51.7928 21.3710 178.6245 25 V 3.5968 7.3446 109.4235 63.9112 31.6095 178.2996 26 W 4.7786 7.6140 118.4011 60.0596 28.9445 178.6428 27 G 3.6584 8.1781 105.0004 47.4496 0.0000 175.2411 28 D 4.3329 7.7042 119.3288 57.2894 41.2679 178.5120 29 V 3.6332 8.7008 119.3359 65.7013 31.4923 177.9573 30 A 4.0287 8.2583 120.9799 55.1799 18.0202 179.4845 31 E 3.9703 8.0120 116.1905 59.4333 29.6321 179.2392 32 R 4.0841 7.8232 119.0137 59.2053 29.9356 178.5264 33 L 3.7905 7.7426 118.1810 57.6168 41.6491 179.0128 34 E 4.1618 8.0740 117.8431 58.0699 29.5383 177.5764 35 K 4.3106 7.0586 117.8069 54.8479 33.1266 174.8140 36 P 4.3342 0.0000 0.0000 62.9185 31.9938 178.0113 37 R 3.4699 8.6062 120.4469 59.1986 30.2103 179.3478 38 R 3.9544 7.9234 113.3441 59.0933 29.4226 177.7991 39 T 4.0963 7.7170 107.7651 63.6707 69.2728 174.8454 40 H 4.3115 7.8025 118.9102 55.7516 29.4438 174.4456 41 A 4.2901 8.1632 123.3780 51.9418 19.7437 176.7196 42 E 4.8765 8.8033 121.1809 54.2652 31.2515 174.1475 43 V 4.3932 8.5961 123.9835 60.9440 34.0737 175.1116 44 N 5.3953 8.5236 124.1650 51.3905 40.1987 176.0941 45 L 4.1394 8.3649 119.7159 58.0179 41.3789 180.1502 46 G 3.6364 8.1878 105.1660 47.6671 0.0000 175.2800 47 R 4.0070 7.8325 120.8064 58.9761 30.1210 178.5368 48 I 3.8580 7.5965 119.4807 64.0964 37.0049 177.6786 49 E 3.9072 8.2401 119.7449 59.2473 29.5130 178.6151 50 R 3.7991 7.4676 117.9049 58.6835 30.2220 176.5582 51 Y 4.7094 7.4085 112.6594 57.6675 39.3815 175.7337 52 A 4.5774 7.9623 123.1848 51.2442 19.9083 176.5616 53 Q 4.6370 8.0922 116.2277 53.9347 30.8476 175.0892 54 E 4.0498 8.6203 118.7943 57.8328 30.0606 176.5540 55 D 4.2637 8.7375 118.4073 54.8834 38.3288 174.2789 56 E 4.6055 7.6178 118.3067 55.1906 31.6596 174.4442 57 T 4.1438 8.4750 124.9107 64.1332 69.9067 173.5670 58 V 4.4101 8.9645 127.1380 62.0896 33.0979 174.5911 59 V 4.8508 8.9083 129.0006 61.2794 33.5849 174.3078 60 V 4.8075 9.3051 128.9579 58.9750 33.2572 174.5682 61 P 4.7396 0.0000 0.0000 61.9673 32.2666 174.8592 62 G 4.2724 6.5513 114.8206 47.6329 0.0000 175.0211 63 K 5.0288 9.6115 127.2536 54.2110 35.6700 174.0303 64 V 4.7556 8.3872 126.8423 61.6289 33.1994 174.9715 65 L 4.9130 9.3206 128.2011 52.7821 44.8668 176.4311 66 G 4.2265 8.4179 105.6121 46.7601 0.0000 173.9623 67 S 4.4570 8.3132 116.8881 58.9561 64.3984 175.4451 68 G 4.0592 8.9740 110.3057 44.6767 0.0000 172.1051 69 V 4.3409 7.9450 117.0377 60.6287 33.7490 174.4700 70 L 4.8297 8.5101 128.0970 53.4926 43.7923 175.4346 71 Q 4.5065 9.4139 124.9983 56.6913 30.8140 176.8758 72 K 4.0567 8.1312 116.1816 56.7771 32.6238 176.9951 73 D 5.2989 8.5044 123.3525 52.6389 39.4826 174.9450 74 V 4.4877 7.5821 114.7486 59.5862 35.8181 175.6960 75 T 4.7452 8.3890 120.0762 62.5306 70.0863 173.7017 76 V 4.7940 8.7954 127.8184 61.2817 33.6174 174.2293 77 A 5.9400 9.8885 130.5268 49.6862 21.5338 175.1082 78 A 4.9224 8.3057 122.1215 50.7916 22.6223 177.1515 79 V 3.5749 8.2050 119.4535 66.2139 32.0524 175.6981 80 D 4.6490 7.2305 116.5436 53.4000 44.3866 174.2818 81 F 5.4358 8.8049 121.0192 55.4218 42.7633 175.1667 82 S 4.3802 9.0637 116.9091 57.9586 64.3797 175.4290 83 G 3.7731 9.0186 107.3021 48.6695 0.0000 176.0025 84 T 3.9054 7.9368 117.8390 66.0852 68.4436 176.0781 85 A 4.0120 8.1162 122.6450 55.5222 18.4440 179.0650 86 E 3.6280 8.4079 116.8601 59.7094 29.4168 179.5773 87 T 3.8514 7.5246 114.1907 66.6277 68.4118 176.6359 88 K 4.1268 8.4447 120.8327 59.3458 31.9284 179.5715 89 I 3.7175 7.9819 120.1845 64.6092 36.9617 178.1929 90 D 4.3720 7.7376 119.1014 56.2004 40.6166 178.9139 91 Q 4.1084 7.5833 117.7492 58.6079 29.2812 177.4357 92 V 4.3851 7.7955 111.0256 61.5830 34.4591 174.8039 93 G 4.1794 8.5552 111.3831 44.2843 0.0000 174.1329 94 E 4.8385 9.5554 127.4941 54.6916 33.0778 173.0945 95 A 4.6144 8.7972 129.7851 51.0926 19.8310 176.6321 96 V 4.5849 9.1019 122.1639 60.8682 35.6489 175.1272 97 S 4.9718 8.6634 120.7536 57.6357 64.2456 174.9901 98 L 3.9496 8.2829 123.6791 58.2957 41.7381 179.4305 99 E 3.9135 7.8032 117.2698 59.0293 29.3248 179.1990 100 Q 3.9670 8.1480 118.1276 58.6638 28.8697 177.9409 101 A 4.0345 7.9966 121.3297 55.6440 18.1039 179.6443 102 I 2.9901 6.9307 116.4655 64.0927 37.0584 178.0158 103 E 4.0550 7.3140 118.7203 59.1938 29.5952 178.1948 104 N 4.6151 8.5078 116.0086 54.9826 40.1782 175.2453 105 N 5.1575 8.6768 118.6599 51.2790 39.1360 172.9596 106 P 4.4921 0.0000 0.0000 65.7749 32.1016 178.2788 107 E 4.1418 8.5147 117.4053 56.6763 30.3073 176.0792 108 G 3.6861 8.2655 107.9717 46.3413 0.0000 173.0257 109 S 4.5507 8.3452 111.1964 57.4509 66.2948 174.2797 110 H 4.0010 8.4172 116.5807 56.4838 25.7144 174.6150 111 V 4.6683 7.1152 116.1874 60.2392 34.8342 175.9436 112 R 4.4645 8.9618 126.4082 54.5464 31.7230 175.1151 113 V 4.4116 8.3195 126.9654 62.7167 32.4454 175.1043 114 I 4.8108 8.8807 128.2424 59.4326 41.1674 175.9127 115 R 4.1774 8.4117 121.7786 56.4595 29.4684 174.7688 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 8.33 4.44 0.00 3.99 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 2 K 8.59 4.00 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.37 4.38 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 1.21 0.00 0.00 4 N 7.99 4.51 0.00 2.80 2.68 0.00 0.00 7.25 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.30 3.93 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.02 3.94 0.00 1.76 1.82 0.92 1.02 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 8 S 7.89 4.13 0.00 4.06 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 9 S 7.99 4.07 0.00 4.01 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 10 L 8.09 3.87 0.00 1.70 1.90 0.90 1.25 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 I 7.85 3.68 2.02 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 1.45 0.74 0.92 0.00 0.00 12 A 8.00 4.01 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 13 D 8.69 4.23 0.00 2.74 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 14 L 8.10 3.91 0.00 1.89 2.00 0.95 1.06 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 15 K 8.05 3.96 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.65 7.81 16 S 8.21 4.08 0.00 3.88 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 17 A 8.22 4.04 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 18 A 7.84 4.82 1.54 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 19 R 7.97 4.13 0.00 1.82 2.01 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 20 S 8.25 4.26 0.00 3.88 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 21 S 8.15 4.52 0.00 4.32 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 22 G 8.57 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 23 G 7.72 3.78 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 0.00 0.00 0.00 24 A 8.23 4.65 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 25 V 7.34 3.60 1.66 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 0.62 0.00 0.00 -0.42 0.00 0.00 26 W 7.61 4.78 0.00 3.38 3.19 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 0.00 27 G 8.18 3.66 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 0.00 0.00 0.00 28 D 7.70 4.33 0.00 3.05 2.74 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 29 V 8.70 3.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.11 0.00 0.00 30 A 8.26 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 3.97 0.00 2.13 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 2.36 2.47 0.00 32 R 7.82 4.08 0.00 1.88 2.03 0.00 3.32 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 7.74 3.79 0.00 1.79 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.07 4.16 0.00 2.14 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 2.36 2.55 0.00 35 K 7.06 4.31 0.00 1.99 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 P 0.00 4.33 0.00 2.15 1.96 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.61 3.47 0.00 1.79 1.90 0.00 3.11 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 38 R 7.92 3.95 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.72 4.10 4.26 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 1.21 0.00 0.00 40 H 7.80 4.31 0.00 3.28 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.16 4.29 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 42 E 8.80 4.88 0.00 1.82 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 2.19 2.27 0.00 43 V 8.60 4.39 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.52 5.40 0.00 2.81 2.96 0.00 0.00 7.63 6.74 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 45 L 8.36 4.14 0.00 1.80 1.74 0.95 1.41 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 46 G 8.19 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 47 R 7.83 4.01 0.00 1.90 2.10 0.00 3.17 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 48 I 7.60 3.86 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.96 0.00 0.00 49 E 8.24 3.91 0.00 1.98 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 0.00 2.41 2.31 0.00 50 R 7.47 3.80 0.00 1.63 1.39 0.00 2.46 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.28 0.00 51 Y 7.41 4.71 0.00 2.96 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 52 A 7.96 4.58 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 53 Q 8.09 4.64 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 54 E 8.62 4.05 0.00 2.06 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 2.55 2.35 0.00 55 D 8.74 4.26 0.00 2.82 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 56 E 7.62 4.61 0.00 1.93 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 2.24 2.32 0.00 57 T 8.47 4.14 4.31 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 1.36 0.00 0.00 58 V 8.96 4.41 2.16 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.91 4.85 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 1.06 0.00 0.00 1.17 0.00 0.00 60 V 9.31 4.81 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 0.94 0.00 0.00 61 P 0.00 4.74 0.00 2.23 2.23 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.55 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 0.00 0.00 0.00 0.00 63 K 9.61 5.03 0.00 1.70 1.56 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.39 4.76 2.13 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 1.08 0.00 0.00 0.78 0.00 0.00 65 L 9.32 4.91 0.00 1.83 1.56 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.42 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 0.00 0.00 0.00 0.00 67 S 8.31 4.46 0.00 4.01 3.79 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 68 G 8.97 4.06 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 0.00 0.00 0.00 69 V 7.95 4.34 2.07 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.51 4.83 0.00 1.60 1.52 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.41 4.51 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.13 4.06 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.80 7.81 73 D 8.50 5.30 0.00 2.81 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 74 V 7.58 4.49 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 0.77 0.00 0.00 1.00 0.00 0.00 75 T 8.39 4.75 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 1.27 0.00 0.00 76 V 8.80 4.79 2.29 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 1.00 0.00 0.00 1.02 0.00 0.00 77 A 9.89 5.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.92 0.58 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 79 V 8.20 3.57 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.23 4.65 0.00 2.76 2.37 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 81 F 8.80 5.44 0.00 2.86 2.94 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 82 S 9.06 4.38 0.00 3.94 4.04 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 83 G 9.02 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 0.00 0.00 0.00 84 T 7.94 3.91 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 1.23 0.00 0.00 85 A 8.12 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.41 3.63 0.00 1.99 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 2.18 2.03 0.00 87 T 7.52 3.85 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 1.20 0.00 0.00 88 K 8.44 4.13 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 89 I 7.98 3.72 1.79 0.00 0.00 1.00 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 1.06 0.89 0.00 0.00 90 D 7.74 4.37 0.00 2.67 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 91 Q 7.58 4.11 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 92 V 7.80 4.39 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 0.93 0.00 0.00 0.98 0.00 0.00 93 G 8.56 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 0.00 0.00 0.00 0.00 94 E 9.56 4.84 0.00 2.01 1.75 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 2.16 2.23 0.00 95 A 8.80 4.61 0.56 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 96 V 9.10 4.58 2.16 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 1.10 0.00 0.00 0.94 0.00 0.00 97 S 8.66 4.97 0.00 4.11 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 98 L 8.28 3.95 0.00 1.73 1.63 1.03 1.47 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 99 E 7.80 3.91 0.00 2.11 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 2.28 2.31 0.00 100 Q 8.15 3.97 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.00 4.03 1.41 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 0.00 0.00 0.00 102 I 6.93 2.99 1.51 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.12 0.57 0.00 0.00 103 E 7.31 4.05 0.00 2.03 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 0.00 2.30 2.32 0.00 104 N 8.51 4.62 0.00 2.73 2.90 0.00 0.00 6.74 7.97 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 0.00 105 N 8.68 5.16 0.00 2.84 3.04 0.00 0.00 6.83 7.29 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 0.00 106 P 0.00 4.49 0.00 2.30 2.30 0.00 3.90 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 107 E 8.51 4.14 0.00 2.16 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 0.00 2.43 2.41 0.00 108 G 8.27 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 0.00 0.00 0.00 109 S 8.35 4.55 0.00 3.95 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 0.00 110 H 8.42 4.00 0.00 3.32 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.12 4.67 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 0.39 0.00 0.00 0.92 0.00 0.00 112 R 8.96 4.46 0.00 2.20 1.85 0.00 3.13 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 113 V 8.32 4.41 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 0.81 0.00 0.00 0.87 0.00 0.00 114 I 8.88 4.81 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.99 0.00 0.00 115 R 8.41 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00