NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4385 8.2893 120.3327 54.9333 33.9587 175.9004 2 P 4.4660 0.0000 0.0000 59.6799 32.4323 170.4963 3 V 3.5273 8.4723 117.8782 62.2488 31.6365 177.2302 4 T 4.4101 7.9747 121.0192 60.8014 70.6458 173.6277 5 Q 3.8919 8.4566 120.3763 59.4616 29.0384 178.1813 6 E 4.0464 8.2209 119.1165 59.0904 29.5183 179.4419 7 E 3.9791 7.9129 118.5247 59.2143 29.6466 178.2342 8 I 4.1366 7.3629 116.1273 61.9566 37.6418 176.9646 9 I 4.1936 8.0154 121.3200 62.6253 38.2589 177.2527 10 A 4.3263 8.6029 121.7722 54.0896 18.7411 179.7025 11 G 3.5443 8.0319 104.2800 47.7895 0.0000 176.1411 12 I 3.7442 7.6768 121.4743 64.0090 37.4612 177.7810 13 A 4.0289 7.5585 121.8040 55.5409 17.8844 179.4690 14 E 3.8855 7.8901 115.2574 59.7437 29.7907 179.4171 15 I 3.8457 7.3356 118.8194 64.4974 37.0829 178.4393 16 I 3.3892 8.5293 121.7821 64.2917 36.9180 177.2156 17 E 4.9182 7.9884 119.0286 56.6858 29.1744 177.3520 18 E 4.2771 8.5674 117.8953 59.0472 31.0027 177.6664 19 V 3.8315 7.6105 116.8563 65.6228 31.9743 177.1101 20 T 3.9174 7.7277 109.2720 62.4170 69.3280 175.4194 21 G 4.2963 8.2162 109.7054 47.2040 0.0000 173.8030 22 I 4.1121 7.1769 120.7842 59.9690 37.7345 175.5695 23 E 4.4719 8.3313 121.2421 55.5836 29.9202 176.7139 24 P 4.2170 0.0000 0.0000 66.3826 31.6274 178.9120 25 S 4.2619 7.9514 111.3783 60.1509 62.3767 175.1876 26 E 4.0541 7.3703 119.4102 58.2322 29.7862 177.4694 27 I 3.7918 6.8582 118.5132 61.6649 37.9192 175.3582 28 T 4.7422 8.0631 113.6331 59.1481 71.8833 172.4381 29 P 4.5335 0.0000 0.0000 63.7236 31.3643 176.4874 30 E 4.3752 7.8273 116.0147 56.1808 30.1192 176.0597 31 K 4.3482 7.5966 119.2361 57.2006 32.5753 176.3622 32 S 4.7009 8.1366 110.4566 56.5417 63.3571 173.2467 33 F 4.1896 8.8776 123.9691 58.2108 39.2057 174.8297 34 V 4.3200 7.4331 116.6361 64.5129 33.5207 176.4781 35 D 4.4686 8.0940 117.4303 56.8282 40.7480 175.9701 36 D 4.6646 7.5018 115.4670 55.1317 43.3482 176.7984 37 L 3.8755 7.7886 118.1371 58.2063 41.8078 178.9287 38 D 4.4189 8.3217 113.7472 54.8019 40.2146 174.0113 39 I 3.8748 7.2058 116.9243 61.2357 38.2445 175.5098 40 D 4.6679 8.0042 117.9704 53.4466 40.3746 173.9636 41 S 4.4820 8.3865 111.2790 58.8721 63.1960 175.6898 42 L 4.0301 7.3560 121.5315 58.0660 42.2025 178.8337 43 S 4.1754 8.0108 111.7300 61.9623 62.7212 176.0970 44 M 3.5249 7.3696 121.0447 58.7379 31.6031 178.9850 45 V 3.6798 7.6671 117.5632 65.8147 31.5777 178.1015 46 E 3.9146 8.8958 119.1385 59.5794 29.3992 178.9056 47 I 3.6194 7.8755 119.0521 64.6598 36.8666 178.0919 48 A 4.0621 8.2676 122.6260 54.7776 18.1697 179.8582 49 V 3.1752 7.5049 116.2813 65.0765 30.7798 178.1203 50 Q 4.2198 8.0995 118.4255 58.7542 28.8973 177.8925 51 T 4.1665 8.1850 116.8093 66.9676 68.4532 175.7387 52 E 4.3759 9.3655 119.1551 57.4254 29.2762 176.6416 53 D 4.7367 7.5791 115.1835 55.6544 43.3311 177.0712 54 K 4.0390 8.9560 118.7627 59.3202 32.2306 177.1392 55 Y 4.4353 7.5268 116.7705 59.8699 39.9579 177.1493 56 G 4.8006 8.4561 106.7020 44.8323 0.0000 174.1959 57 V 3.8636 8.0922 112.1817 60.8834 32.0814 176.3542 58 K 4.4433 8.3977 121.5839 56.0153 32.7785 177.3359 59 I 4.7220 7.7700 126.9512 59.5982 38.2159 172.5693 60 P 4.6365 0.0000 0.0000 61.7638 33.1686 177.7868 61 D 4.5086 8.8638 118.0765 57.6766 40.6737 179.0301 62 E 3.9823 8.2898 117.8391 58.4573 29.8798 176.8620 63 D 5.0468 7.8492 117.0134 55.3909 43.0655 177.7689 64 L 4.0746 8.9754 119.9026 57.3093 41.9496 178.4262 65 A 4.2170 8.0222 120.4352 54.9550 18.5336 179.5082 66 G 3.8160 7.7990 104.1885 45.9596 0.0000 173.8472 67 L 3.7123 6.9655 121.2048 54.3493 42.0269 176.8980 68 R 4.1675 8.5243 122.4631 57.0485 32.0916 175.9062 69 T 4.8302 7.1154 106.1393 58.7365 73.4263 174.7009 70 V 3.6516 8.3598 119.2298 66.3339 31.3576 177.6407 71 G 3.8561 8.2002 104.8125 48.1688 0.0000 174.7012 72 D 4.2488 7.4800 120.1050 56.7280 41.0926 178.3001 73 V 3.5831 8.0493 117.6398 64.5744 31.7064 177.5140 74 V 3.9208 8.0247 118.0646 65.3608 31.8101 177.0756 75 A 4.0522 8.1359 120.8040 55.9885 18.0112 179.0799 76 Y 4.0436 8.1205 114.5602 62.1755 37.9032 178.0374 77 I 4.1603 8.7195 121.6381 62.5402 37.1614 177.7425 78 Q 3.9681 7.9892 118.3460 59.5684 28.8690 179.3156 79 K 3.8366 8.3638 118.1511 59.8075 32.2390 178.3479 80 L 4.0650 7.5298 118.7459 57.9602 42.0546 177.2993 81 E 3.9137 8.9408 118.0588 55.6120 28.8810 176.9367 82 E 5.9800 7.5022 135.0000 57.1870 29.7992 176.2526 83 E 4.4289 7.6409 122.3109 56.0610 32.8652 175.8873 84 N 4.7880 7.7326 127.9156 51.2566 39.5602 173.7503 85 P 4.6365 0.0000 0.0000 62.5724 30.7471 175.6177 86 E 4.4213 7.4766 117.8408 57.1134 32.2495 174.3699 87 A 4.3593 7.1310 122.5795 51.1086 24.9267 175.9859 88 A 4.2882 7.2900 113.7932 52.8943 22.1767 176.5960 89 Q 4.3716 8.4049 115.6431 53.7062 27.6270 175.9170 90 A 5.3785 8.4742 135.0000 53.2511 18.1031 177.5720 91 L 3.8733 7.3457 114.1952 56.6607 41.0545 178.1806 92 R 4.5538 7.2906 114.8713 53.8967 30.0044 176.2921 93 A 5.3801 8.2395 134.1443 53.7567 20.3043 172.9794 94 K 4.0132 7.4674 127.6376 54.6516 32.2376 176.0779 95 I 3.7519 7.7717 122.2222 63.0228 37.5053 177.7473 96 E 3.9002 8.5374 125.2423 60.0571 30.6275 179.1133 97 S 4.5233 7.0846 111.8146 58.0188 61.5705 174.3941 98 E 4.1805 7.6492 118.7292 56.7841 29.9896 177.8787 99 N 4.5665 7.9375 115.1307 52.9217 40.5294 171.8622 100 P 4.8353 0.0000 0.0000 60.8105 29.9143 174.7355 101 D 4.6449 7.9081 122.3938 56.3088 47.3800 176.4510 102 A 3.5599 7.3628 119.3704 52.3122 15.8838 177.9676 103 V 3.5649 7.5675 118.8928 64.4841 32.7054 174.7844 104 A 4.6263 7.4018 119.4559 50.5321 20.6113 174.8593 105 N 4.1168 6.9767 118.6880 54.0056 44.1756 172.5716 106 V 4.5502 8.3398 115.7013 61.2729 35.2526 175.0909 107 Q 4.3706 7.8339 122.3065 56.3036 30.6352 175.2788 108 A 3.7838 8.9842 121.9388 53.4994 15.6657 178.4964 109 R 4.5510 8.0152 114.4258 57.2552 30.9423 175.4718 110 L 4.7013 7.6787 119.5026 53.6643 44.5771 175.4936 111 E 4.6428 7.9937 121.2704 55.8095 31.0668 174.0887 112 A 4.4442 8.1794 125.5656 53.3238 22.0261 175.0907 113 E 4.3556 8.6436 116.0140 57.9897 31.3419 174.5417 114 S 3.9216 8.0413 119.4113 57.0453 62.9198 171.8122 115 K 4.1121 8.6124 120.7201 57.3840 32.1406 176.6961 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 8.29 4.44 0.00 2.06 2.21 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 2.52 2.55 0.00 2 P 0.00 4.47 0.00 2.50 2.16 0.00 3.80 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 2.02 2.05 0.00 3 V 8.47 3.53 0.97 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 0.59 0.00 0.00 0.55 0.00 0.00 4 T 7.97 4.41 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 5 Q 8.46 3.89 0.00 2.37 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 E 8.22 4.05 0.00 2.05 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 2.41 2.42 0.00 7 E 7.91 3.98 0.00 2.10 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 2.42 2.37 0.00 8 I 7.36 4.14 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.88 0.00 0.00 9 I 8.02 4.19 1.93 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 1.44 0.87 0.90 0.00 0.00 10 A 8.60 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 11 G 8.03 3.54 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 12 I 7.68 3.74 2.08 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 1.56 0.97 0.88 0.00 0.00 13 A 7.56 4.03 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 14 E 7.89 3.89 0.00 2.21 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 2.34 2.50 0.00 15 I 7.34 3.85 1.98 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 1.53 1.15 1.02 0.00 0.00 16 I 8.53 3.39 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.86 0.00 0.00 17 E 7.99 4.92 0.00 2.07 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 0.00 2.27 2.35 0.00 18 E 8.57 4.28 0.00 2.05 1.95 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 2.30 2.47 0.00 19 V 7.61 3.83 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 0.87 0.00 0.00 1.01 0.00 0.00 20 T 7.73 3.92 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 1.14 0.00 0.00 21 G 8.22 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 22 I 7.18 4.11 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.95 0.00 0.00 23 E 8.33 4.47 0.00 2.17 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 2.39 2.35 0.00 24 P 0.00 4.22 0.00 2.25 2.29 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 25 S 7.95 4.26 0.00 3.88 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 26 E 7.37 4.05 0.00 1.96 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 0.00 2.31 2.34 0.00 27 I 6.86 3.79 1.99 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 1.32 0.48 0.89 0.00 0.00 28 T 8.06 4.74 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 1.20 0.00 0.00 29 P 0.00 4.53 0.00 2.20 2.19 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 30 E 7.83 4.38 0.00 2.09 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 0.00 2.21 2.31 0.00 31 K 7.60 4.35 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.69 7.81 32 S 8.14 4.70 0.00 3.79 3.90 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 33 F 8.88 4.19 0.00 3.37 3.21 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 34 V 7.43 4.32 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 0.89 0.00 0.00 1.01 0.00 0.00 35 D 8.09 4.47 0.00 2.67 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 36 D 7.50 4.66 0.00 2.75 2.56 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 37 L 7.79 3.88 0.00 1.76 1.65 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.32 4.42 0.00 2.94 2.75 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 39 I 7.21 3.87 1.82 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 1.15 1.20 0.81 0.00 0.00 40 D 8.00 4.67 0.00 2.88 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 41 S 8.39 4.48 0.00 4.15 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 0.00 42 L 7.36 4.03 0.00 1.65 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.01 4.18 0.00 3.84 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 44 M 7.37 3.52 0.00 1.42 2.06 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 45 V 7.67 3.68 2.43 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 1.14 0.00 0.00 0.99 0.00 0.00 46 E 8.90 3.91 0.00 2.16 1.95 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 2.32 2.39 0.00 47 I 7.88 3.62 1.90 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 1.59 0.66 0.86 0.00 0.00 48 A 8.27 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 3.18 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 0.94 0.00 0.00 0.95 0.00 0.00 50 Q 8.10 4.22 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 51 T 8.18 4.17 4.35 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 1.20 0.00 0.00 52 E 9.37 4.38 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 2.48 2.36 0.00 53 D 7.58 4.74 0.00 2.94 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 54 K 8.96 4.04 0.00 1.94 1.98 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 55 Y 7.53 4.44 0.00 2.91 3.10 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 0.00 0.00 0.00 56 G 8.46 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 57 V 8.09 3.86 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 0.66 0.00 0.00 1.03 0.00 0.00 58 K 8.40 4.44 0.00 1.87 1.89 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 59 I 7.77 4.72 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.58 1.04 0.00 0.00 60 P 0.00 4.64 0.00 2.24 2.22 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 61 D 8.86 4.51 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.29 3.98 0.00 1.93 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 2.29 2.36 0.00 63 D 7.85 5.05 0.00 3.01 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 64 L 8.98 4.07 0.00 1.66 1.74 1.04 1.21 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 65 A 8.02 4.22 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 G 7.80 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 67 L 6.97 3.71 0.00 1.07 1.21 0.88 -0.75 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 68 R 8.52 4.17 0.00 1.71 1.85 0.00 3.02 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 69 T 7.12 4.83 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 1.27 0.00 0.00 70 V 8.36 3.65 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 0.99 0.00 0.00 0.99 0.00 0.00 71 G 8.20 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 0.00 0.00 0.00 72 D 7.48 4.25 0.00 2.70 2.45 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 73 V 8.05 3.58 2.21 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 1.03 0.00 0.00 0.98 0.00 0.00 74 V 8.02 3.92 2.23 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 1.07 0.00 0.00 0.91 0.00 0.00 75 A 8.14 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.12 4.04 0.00 3.10 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 77 I 8.72 4.16 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 0.84 0.00 0.00 78 Q 7.99 3.97 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.68 2.45 0.00 79 K 8.36 3.84 0.00 1.76 1.92 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.59 1.69 7.81 80 L 7.53 4.06 0.00 2.02 1.71 0.90 0.94 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 81 E 8.94 3.91 0.00 2.09 1.79 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 2.37 2.45 0.00 82 E 7.50 5.98 0.00 2.16 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 2.05 2.07 0.00 83 E 7.64 4.43 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 84 N 7.73 4.79 0.00 2.63 2.72 0.00 0.00 6.98 7.69 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 85 P 0.00 4.64 0.00 2.22 2.10 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 86 E 7.48 4.42 0.00 1.90 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 2.17 2.26 0.00 87 A 7.13 4.36 1.24 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 0.00 0.00 0.00 88 A 7.29 4.29 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 89 Q 8.40 4.37 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.24 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 90 A 8.47 5.38 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 91 L 7.35 3.87 0.00 1.76 1.74 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.29 4.55 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 93 A 8.24 5.38 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 94 K 7.47 4.01 0.00 2.05 1.84 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 95 I 7.77 3.75 1.87 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 1.30 1.42 0.92 0.00 0.00 96 E 8.54 3.90 0.00 1.92 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 2.31 2.39 0.00 97 S 7.08 4.52 0.00 3.98 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 98 E 7.65 4.18 0.00 2.00 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 2.34 2.45 0.00 99 N 7.94 4.57 0.00 2.73 2.63 0.00 0.00 6.80 7.70 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 0.00 100 P 0.00 4.84 0.00 2.21 2.07 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 101 D 7.91 4.64 0.00 2.61 2.64 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 0.00 102 A 7.36 3.56 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 0.00 103 V 7.57 3.56 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 0.76 0.00 0.00 0.93 0.00 0.00 104 A 7.40 4.63 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 0.00 105 N 6.98 4.12 0.00 2.66 2.70 0.00 0.00 6.99 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 0.00 106 V 8.34 4.55 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 0.95 0.00 0.00 0.93 0.00 0.00 107 Q 7.83 4.37 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 108 A 8.98 3.78 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 0.00 109 R 8.02 4.55 0.00 1.77 1.89 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 110 L 7.68 4.70 0.00 1.57 1.55 0.92 0.90 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 0.00 111 E 7.99 4.64 0.00 1.94 1.71 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 2.19 2.26 0.00 112 A 8.18 4.44 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 E 8.64 4.36 0.00 1.94 1.97 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 2.21 2.29 0.00 114 S 8.04 3.92 0.00 4.02 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 0.00 115 K 8.61 4.11 0.00 1.86 1.80 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81