NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4763 8.1633 118.3275 55.2557 33.4592 174.0791 2 Q 4.5307 8.2365 118.4009 53.5349 31.1658 173.2248 3 I 4.5165 8.5514 115.4293 59.7312 42.3919 173.0161 4 F 4.9929 9.0515 121.0117 55.6594 42.4178 174.7913 5 V 4.6949 8.9035 122.8155 61.1810 34.0308 173.7794 6 K 5.6290 9.2529 131.1345 54.3038 33.8745 176.2599 7 T 5.3608 8.3689 117.5972 60.7173 70.1258 175.1173 8 L 4.0789 8.5343 123.5006 58.3303 42.0100 178.2473 9 T 3.9793 8.0198 114.4925 64.8632 68.7061 175.2712 10 G 4.1477 7.9374 109.4097 44.8666 0.0000 173.3007 11 K 4.2291 8.3652 121.6213 56.0626 33.6797 176.1066 12 T 4.8984 8.5161 123.4522 62.1826 70.0496 173.3457 13 I 4.3555 9.0499 129.1363 60.0903 38.9983 175.2091 14 T 4.7675 8.5235 124.3242 62.6074 69.5807 174.1007 15 L 4.8771 8.2629 124.0010 53.2152 47.0630 174.4358 16 E 4.8769 8.5949 119.8220 54.9054 31.9825 175.0907 17 V 4.7039 8.6820 118.2540 60.4252 36.5066 173.6712 18 E 4.7426 9.3533 121.4083 53.8491 31.9313 176.0066 19 P 4.3121 0.0000 0.0000 64.9429 31.4785 177.4123 20 S 4.6618 7.7974 112.6898 58.1760 63.3192 173.8659 21 D 4.6226 8.2458 122.2797 54.2070 41.5411 175.5787 22 T 4.8433 7.9101 111.1294 59.9209 72.5972 175.5412 23 I 3.6794 8.0258 122.4985 64.6410 37.1077 178.4894 24 E 3.9345 8.1324 119.5998 59.2306 29.4179 178.0972 25 N 4.2811 7.8530 116.0167 56.6636 38.9165 177.0595 26 V 3.5869 7.7933 119.5912 65.9359 31.5774 177.9346 27 K 4.2349 8.3242 119.4009 58.8725 31.8490 179.0706 28 A 3.9788 8.0057 120.7626 54.9968 18.3285 179.7470 29 K 3.8792 7.7609 117.0832 59.8242 32.1943 179.6078 30 I 3.7230 7.9311 120.0466 64.4191 36.8620 178.2689 31 Q 4.1189 8.3499 120.7520 59.1245 28.6119 177.9207 32 D 4.3085 8.0447 118.2700 57.2134 41.3804 178.1688 33 K 4.1220 7.8262 117.6020 60.3260 32.2575 178.3671 34 E 4.2607 9.1193 118.8961 54.8796 29.4523 176.5898 35 G 3.9802 7.8954 121.6085 46.7150 0.0000 173.0733 36 I 3.8274 7.3043 122.9615 60.3382 37.6393 174.1743 37 P 4.3735 0.0000 0.0000 61.9626 31.9991 175.6235 38 P 4.2549 0.0000 0.0000 65.7761 31.4544 178.3985 39 D 4.4286 8.0909 116.6410 56.6290 40.5577 176.8479 40 Q 4.4229 8.3433 116.9482 55.8226 29.4706 174.8026 41 Q 4.6299 7.7329 118.5501 54.8466 30.9708 175.0828 42 R 4.7111 8.5191 120.8799 54.5756 34.7947 173.9866 43 L 4.9663 8.6261 123.7524 53.3496 43.7541 175.2318 44 I 4.8661 9.0863 125.7434 59.2988 40.3368 174.6981 45 F 4.6457 9.1808 128.8557 56.2998 41.8075 174.3990 46 A 3.6624 9.4144 129.0909 53.0241 15.9141 177.8176 47 G 3.9948 8.4923 109.2973 46.7629 0.0000 174.8480 48 K 4.1894 7.9197 120.3824 55.6905 32.6339 175.6963 49 Q 4.3621 8.5873 125.9823 55.8146 29.7585 175.1584 50 L 3.9148 8.7841 128.0314 53.4077 41.5955 176.6874 51 E 4.1448 9.2547 125.0423 56.2058 30.0966 178.4016 52 D 4.4087 9.0655 123.6006 57.4864 41.1975 177.3789 53 G 4.0125 7.8192 106.8348 45.9616 0.0000 172.8463 54 R 4.7004 7.7748 116.4554 54.3047 34.5074 174.6850 55 T 4.9549 9.1902 109.4304 59.6800 71.3456 175.2160 56 L 4.2415 8.2167 120.3245 56.4952 41.8173 179.3019 57 S 4.5626 7.6378 111.9854 59.7449 63.8627 176.4401 58 D 4.1562 7.7228 120.9957 57.6411 40.4287 176.9073 59 Y 4.3000 7.7962 112.5840 57.0471 38.6011 175.0181 60 N 4.0448 7.2825 116.5590 54.4699 37.2172 173.5939 61 I 3.8340 8.4780 119.5353 60.5199 38.3972 176.6130 62 Q 4.5373 7.6854 125.0591 53.7683 29.5742 175.2564 63 K 4.1695 8.2083 117.0880 57.8219 33.4378 176.5496 64 E 3.8231 8.8149 117.8785 57.6365 27.5809 175.0810 65 S 4.7677 7.3905 113.5905 58.5463 64.8811 173.8340 66 T 5.0158 8.6576 119.1423 62.3721 69.5198 173.7611 67 L 4.8329 9.4324 127.8801 53.5833 44.3433 175.6590 68 H 5.8009 9.0501 120.4988 53.6588 30.9259 173.6487 69 L 4.9606 8.4572 126.7458 53.6373 43.2432 175.2160 70 V 4.2393 8.7674 127.9721 62.2119 33.2014 174.9191 71 L 4.8104 8.4288 127.5968 53.1696 42.6422 176.4321 72 R 4.2302 8.1826 125.3291 55.0630 29.8904 175.7717 73 L 4.2426 8.3018 126.9699 54.5162 42.3021 178.0056 74 R 4.1367 8.6430 122.2712 57.7440 30.8366 176.7191 75 G 4.1027 7.6867 106.5128 44.9404 0.0000 173.9284 76 G 3.7185 8.3392 108.3629 46.1492 0.0000 173.0121 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 8.16 4.48 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.82 0.00 2 Q 8.24 4.53 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 3 I 8.55 4.52 1.81 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 1.13 0.74 0.84 0.00 0.00 4 F 9.05 4.99 0.00 2.96 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 5 V 8.90 4.69 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 0.96 0.00 0.00 0.95 0.00 0.00 6 K 9.25 5.63 0.00 1.74 1.49 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.19 7.81 7 T 8.37 5.36 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 1.22 0.00 0.00 8 L 8.53 4.08 0.00 1.67 1.75 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.02 3.98 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 1.21 0.00 0.00 10 G 7.94 4.15 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 0.00 11 K 8.37 4.23 0.00 1.87 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 12 T 8.52 4.90 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 1.24 0.00 0.00 13 I 9.05 4.36 1.89 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 1.24 0.90 0.92 0.00 0.00 14 T 8.52 4.77 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 1.21 0.00 0.00 15 L 8.26 4.88 0.00 1.64 1.49 0.98 0.54 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 16 E 8.59 4.88 0.00 1.89 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 2.14 2.42 0.00 17 V 8.68 4.70 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 0.65 0.00 0.00 0.88 0.00 0.00 18 E 9.35 4.74 0.00 1.91 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 2.20 2.36 0.00 19 P 0.00 4.31 0.00 2.02 2.10 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 20 S 7.80 4.66 0.00 3.83 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 21 D 8.25 4.62 0.00 2.92 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 22 T 7.91 4.84 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 1.21 0.00 0.00 23 I 8.03 3.68 2.08 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 1.63 1.06 0.96 0.00 0.00 24 E 8.13 3.93 0.00 2.04 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 2.38 2.37 0.00 25 N 7.85 4.28 0.00 2.91 2.79 0.00 0.00 7.31 7.59 0.00 0.00 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 V 7.79 3.59 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 1.00 0.00 0.00 1.02 0.00 0.00 27 K 8.32 4.23 0.00 2.08 1.87 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.51 7.81 28 A 8.01 3.98 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 29 K 7.76 3.88 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.76 7.81 30 I 7.93 3.72 2.15 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 1.41 0.82 0.92 0.00 0.00 31 Q 8.35 4.12 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 32 D 8.04 4.31 0.00 2.71 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 33 K 7.83 4.12 0.00 1.92 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.64 7.81 34 E 9.12 4.26 0.00 1.99 1.85 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 2.33 2.47 0.00 35 G 7.90 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 0.00 0.00 0.00 36 I 7.30 3.83 1.88 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 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.37 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.12 0.00 3.60 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 2.12 2.13 0.00 39 D 8.09 4.43 0.00 2.67 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 40 Q 8.34 4.42 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.73 4.63 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 42 R 8.52 4.71 0.00 1.83 1.76 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 43 L 8.63 4.97 0.00 1.57 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.09 4.87 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 1.11 0.62 0.86 0.00 0.00 45 F 9.18 4.65 0.00 2.95 2.79 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 46 A 9.41 3.66 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 47 G 8.49 3.99 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 0.00 0.00 0.00 48 K 7.92 4.19 0.00 1.97 1.81 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.49 7.81 49 Q 8.59 4.36 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.78 3.91 0.00 1.43 1.36 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.25 4.14 0.00 2.05 1.93 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 2.39 2.42 0.00 52 D 9.07 4.41 0.00 2.66 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 53 G 7.82 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 0.00 0.00 0.00 54 R 7.77 4.70 0.00 2.19 1.97 0.00 3.11 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 55 T 9.19 4.95 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 1.20 0.00 0.00 56 L 8.22 4.24 0.00 1.85 1.71 0.97 1.29 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 57 S 7.64 4.56 0.00 4.02 4.08 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 0.00 0.00 0.00 0.00 58 D 7.72 4.16 0.00 2.52 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 0.00 0.00 0.00 59 Y 7.80 4.30 0.00 2.80 2.92 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 60 N 7.28 4.04 0.00 2.87 2.82 0.00 0.00 7.09 7.82 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 61 I 8.48 3.83 1.81 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.68 0.00 0.00 62 Q 7.69 4.54 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 63 K 8.21 4.17 0.00 1.91 1.91 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 64 E 8.81 3.82 0.00 2.20 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 0.00 2.27 2.27 0.00 65 S 7.39 4.77 0.00 3.97 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 66 T 8.66 5.02 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 1.14 0.00 0.00 67 L 9.43 4.83 0.00 1.69 1.69 1.10 1.13 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 68 H 9.05 5.80 0.00 3.28 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.46 4.96 0.00 1.78 1.57 1.02 0.88 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 70 V 8.77 4.24 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 0.98 0.00 0.00 0.93 0.00 0.00 71 L 8.43 4.81 0.00 1.55 1.61 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.18 4.23 0.00 1.86 1.88 0.00 3.42 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 73 L 8.30 4.24 0.00 1.68 1.59 0.92 0.99 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 74 R 8.64 4.14 0.00 1.80 1.98 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 75 G 7.69 4.10 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 0.00 0.00 0.00 76 G 8.34 3.72 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 0.00 0.00 0.00