NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1706 8.1744 115.2296 61.2699 68.4212 174.4265 2 V 3.4559 5.4500 118.7472 64.5047 32.4195 173.6955 3 L 4.7919 8.5110 121.9490 53.8417 44.4112 175.0719 4 H 4.9325 10.0179 123.9637 53.7118 32.5084 175.9219 5 V 3.6159 8.2041 121.3555 66.5869 31.2459 177.6934 6 Q 3.9767 8.2289 117.0425 59.2124 28.3397 178.4555 7 E 3.9387 8.2071 118.5250 59.9239 29.8777 179.5519 8 I 3.8699 7.6522 118.7891 64.6242 37.0353 178.8742 9 R 4.0213 8.0622 117.5288 59.0312 29.9421 178.2806 10 D 4.5247 8.2738 117.3454 55.2047 41.2449 176.5745 11 M 4.4456 7.0828 119.4372 54.8991 33.1418 176.5502 12 T 4.3053 8.9080 116.1513 60.6238 69.9656 173.9317 13 P 4.3456 0.0000 0.0000 66.0170 31.3070 178.7981 14 A 4.0523 7.9634 118.6560 55.1289 18.3202 179.4077 15 E 3.9669 7.9930 116.8276 59.4113 29.5528 179.5320 16 R 3.9188 8.0744 118.1924 59.3898 30.1906 178.9848 17 E 3.9703 8.1063 117.6860 59.2415 29.3936 179.3583 18 A 3.9877 8.0322 120.9509 55.1691 18.4366 179.3558 19 E 4.0396 8.7391 118.2229 59.0014 29.5311 178.8452 20 L 3.9090 8.1752 121.0108 58.3326 42.2788 178.5423 21 D 4.3778 8.1651 118.7494 57.5084 40.8721 178.7395 22 D 4.3457 8.0994 119.2021 57.3661 40.8938 178.8300 23 L 3.9905 8.0763 119.4679 57.8026 41.6614 179.5962 24 K 3.9320 8.3619 118.7320 59.9571 31.9018 179.4858 25 T 3.9029 7.9781 115.8313 66.5679 68.3517 176.3597 26 E 3.9177 8.1041 120.9355 58.9933 29.6402 178.6748 27 L 3.9034 8.0037 120.3734 58.0852 42.2450 178.4971 28 L 3.9474 8.3182 120.6544 58.5558 41.8965 178.8336 29 N 4.3999 8.6172 116.3026 55.8744 38.3614 177.3716 30 A 3.9539 8.0378 122.4100 55.4211 18.6221 179.8850 31 R 3.9852 8.5461 116.4931 59.1409 30.0467 179.4019 32 A 3.9441 7.9191 120.7177 55.2965 18.5168 179.8994 33 V 3.5771 8.0817 117.0704 66.0914 31.4984 177.9868 34 Q 4.1870 8.5481 119.7603 58.8709 28.6546 177.8502 35 A 4.0513 7.9240 121.0933 54.6164 18.4713 178.4760 36 A 4.3756 7.9058 116.7530 51.6466 18.7039 177.9807 37 G 3.8494 7.8520 105.6552 46.1356 0.0000 174.6703 38 G 3.7843 8.2268 108.1544 46.0435 0.0000 173.8280 39 A 4.4882 8.4321 124.0073 52.3172 20.4144 177.4613 40 P 4.7032 0.0000 0.0000 62.4195 30.2390 175.9777 41 E 4.5100 9.2136 118.7037 56.9995 31.6906 177.6367 42 N 5.0722 8.3036 114.7488 52.5853 40.1687 174.4493 43 P 4.0953 0.0000 0.0000 64.9721 32.7397 179.1361 44 G 3.4951 8.2777 105.3194 47.8549 0.0000 175.8911 45 R 3.9033 8.1042 121.1325 58.9098 29.3910 178.8760 46 I 3.1718 7.8578 117.8556 63.9244 37.4110 177.4407 47 K 4.2785 7.5114 120.1178 59.0207 32.0850 178.6438 48 E 3.9803 8.3680 119.2486 59.1679 29.3090 179.0936 49 L 3.9684 8.7332 120.2088 57.9153 41.7460 179.6534 50 R 3.9139 7.4043 118.1352 59.4410 30.0223 179.2922 51 K 3.9527 7.7731 117.3873 59.2780 31.9415 179.1756 52 A 3.9844 8.3300 121.4233 55.4660 18.3433 179.8254 53 I 3.6323 8.0164 118.0272 64.3596 37.0169 178.6156 54 A 4.0288 7.9292 121.7957 54.9320 18.1722 179.9165 55 R 3.8403 8.2869 117.0122 59.5473 30.2331 179.2207 56 I 3.7117 7.9164 119.6379 64.5029 37.0076 178.6926 57 K 4.0595 8.1762 119.1540 59.7034 31.8544 179.6270 58 T 3.8854 8.2254 116.4377 66.6455 68.3272 176.8878 59 I 3.7293 8.2209 122.1412 64.5576 37.0844 178.4935 60 Q 4.2931 8.6881 119.3835 58.8442 28.4243 179.3657 61 G 3.5838 7.8574 106.6616 47.5452 0.0000 175.7203 62 E 4.0743 7.9194 120.0041 59.4341 29.6781 179.2843 63 E 4.1795 8.3540 117.1487 57.6379 29.4976 178.1752 64 G 3.9333 6.8852 105.1008 44.8120 0.0000 173.2224 65 D 4.6341 7.9252 125.1540 53.9075 42.4389 176.1894 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 T 8.17 4.17 4.21 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 1.30 0.00 0.00 2 V 5.45 3.46 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 3 L 8.51 4.79 0.00 1.61 1.53 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 H 10.02 4.93 0.00 3.11 3.19 0.00 5.87 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 5 V 8.20 3.62 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 1.17 0.00 0.00 0.94 0.00 0.00 6 Q 8.23 3.98 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 7 E 8.21 3.94 0.00 2.05 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 2.33 2.47 0.00 8 I 7.65 3.87 2.06 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 1.53 0.78 0.91 0.00 0.00 9 R 8.06 4.02 0.00 1.89 2.00 0.00 3.16 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 10 D 8.27 4.52 0.00 2.79 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 11 M 7.08 4.45 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.47 0.00 12 T 8.91 4.31 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 1.32 0.00 0.00 13 P 0.00 4.35 0.00 2.19 2.11 0.00 3.65 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 2.12 2.18 0.00 14 A 7.96 4.05 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 15 E 7.99 3.97 0.00 2.24 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 2.40 2.40 0.00 16 R 8.07 3.92 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 17 E 8.11 3.97 0.00 2.04 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 2.45 2.53 0.00 18 A 8.03 3.99 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 19 E 8.74 4.04 0.00 2.14 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 0.00 2.31 2.36 0.00 20 L 8.18 3.91 0.00 1.97 1.81 0.92 1.10 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 21 D 8.17 4.38 0.00 2.87 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 22 D 8.10 4.35 0.00 2.88 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 23 L 8.08 3.99 0.00 1.85 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.36 3.93 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 25 T 7.98 3.90 4.39 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 1.21 0.00 0.00 26 E 8.10 3.92 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 2.30 2.32 0.00 27 L 8.00 3.90 0.00 1.81 1.87 0.92 0.30 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 28 L 8.32 3.95 0.00 1.88 1.82 0.92 0.72 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 29 N 8.62 4.40 0.00 2.89 2.85 0.00 0.00 6.94 7.68 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 30 A 8.04 3.95 1.40 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 0.00 0.00 0.00 31 R 8.55 3.99 0.00 1.96 2.00 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 32 A 7.92 3.94 1.40 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 0.00 0.00 0.00 33 V 8.08 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 0.97 0.00 0.00 0.96 0.00 0.00 34 Q 8.55 4.19 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 35 A 7.92 4.05 1.40 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 0.00 0.00 0.00 36 A 7.91 4.38 1.34 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 0.00 0.00 37 G 7.85 3.85 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 0.00 0.00 0.00 38 G 8.23 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 39 A 8.43 4.49 1.30 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 40 P 0.00 4.70 0.00 2.19 2.15 0.00 3.63 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 1.98 1.98 0.00 41 E 9.21 4.51 0.00 1.98 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 2.29 2.24 0.00 42 N 8.30 5.07 0.00 2.69 2.69 0.00 0.00 6.81 8.03 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 43 P 0.00 4.10 0.00 2.18 2.07 0.00 3.59 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 2.11 2.14 0.00 44 G 8.28 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.90 0.00 1.87 1.99 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 46 I 7.86 3.17 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 1.52 1.34 0.95 0.00 0.00 47 K 7.51 4.28 0.00 1.72 2.02 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 48 E 8.37 3.98 0.00 2.14 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 2.56 2.48 0.00 49 L 8.73 3.97 0.00 1.60 1.72 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.40 3.91 0.00 2.20 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 51 K 7.77 3.95 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 A 8.33 3.98 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 53 I 8.02 3.63 2.01 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 1.45 1.03 0.91 0.00 0.00 54 A 7.93 4.03 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 55 R 8.29 3.84 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 56 I 7.92 3.71 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 1.52 0.68 0.96 0.00 0.00 57 K 8.18 4.06 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 58 T 8.23 3.89 4.39 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 1.28 0.00 0.00 59 I 8.22 3.73 2.00 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 1.78 0.93 0.91 0.00 0.00 60 Q 8.69 4.29 0.00 2.18 2.16 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 2.38 2.64 0.00 61 G 7.86 3.58 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 62 E 7.92 4.07 0.00 2.13 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 2.46 0.00 63 E 8.35 4.18 0.00 1.91 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 2.63 2.47 0.00 64 G 6.89 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 0.00 0.00 0.00 65 D 7.93 4.63 0.00 2.72 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