NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5467 8.3044 120.2603 55.5668 33.7678 173.7300 2 Q 4.2192 8.5598 120.5752 54.2837 32.8840 171.8515 3 R 5.0205 8.3185 121.8066 54.9543 34.0259 174.9269 4 G 4.3636 8.6121 107.4539 45.9710 0.0000 171.6612 5 K 5.2504 8.4668 117.7988 54.1091 36.2795 176.5454 6 V 3.7866 8.6890 125.0068 63.2788 31.8744 176.6108 7 K 4.2692 9.2900 130.9993 58.9713 32.9225 176.7541 8 W 4.9990 7.7589 113.6647 56.0062 31.0743 173.2373 9 F 4.6327 9.0149 123.0897 57.1160 42.1595 172.7353 10 N 4.9208 8.2845 126.0180 51.9499 39.6751 174.7794 11 N 4.7275 8.8654 123.5103 53.7710 38.3031 175.8343 12 E 4.0532 8.1332 119.9757 58.8592 30.1050 177.4967 13 K 3.9122 8.2036 117.1720 57.1891 32.3739 177.8103 14 G 3.8402 9.5096 107.1708 45.4374 0.0000 171.9588 15 Y 4.7668 6.0472 115.8896 56.0930 41.7306 173.1972 16 G 3.0777 7.3880 104.0325 45.6391 0.0000 172.2471 17 F 5.1199 6.9669 116.8027 55.6207 43.6181 174.1979 18 I 4.7915 8.7570 122.9306 59.6152 39.3534 174.6940 19 E 4.8851 9.4455 126.0497 55.7762 31.2557 175.9518 20 V 4.7930 8.2099 115.0321 59.1077 35.9543 174.8758 21 E 4.1188 8.8758 123.2255 57.4416 28.1392 176.1811 22 G 3.9004 9.4317 114.0931 45.7310 0.0000 171.1998 23 G 4.1819 7.5466 106.2856 43.7849 0.0000 173.2992 24 S 4.3660 8.4320 114.7057 58.1653 63.3548 174.2491 25 D 4.7275 8.5454 122.3807 54.9020 41.6168 175.8890 26 V 4.5181 8.8642 122.6039 60.8348 33.8831 174.8382 27 F 3.7912 8.9128 130.4603 58.0863 40.8393 174.0064 28 V 4.3065 7.2853 124.5412 60.1772 34.3164 173.8726 29 H 5.2007 8.4736 125.1916 54.1656 31.7406 175.7122 30 F 4.3970 9.2783 119.6386 60.0376 37.7948 177.6244 31 T 3.3765 6.6207 109.7621 63.4216 68.7258 174.6118 32 A 4.2668 7.7736 124.5772 52.8969 19.3995 177.1170 33 I 4.2613 7.3869 117.9007 61.2206 37.5718 176.0325 34 Q 4.2867 8.4568 124.9647 55.5784 29.8618 175.1283 35 G 3.9445 8.5387 106.1061 44.9071 0.0000 173.8336 36 E 4.1668 8.4608 117.2894 56.9304 30.0105 177.5432 37 G 3.7148 7.6230 107.5428 44.4527 0.0000 173.3130 38 F 4.2988 8.2164 118.2554 57.9232 39.3852 177.0061 39 K 4.3715 8.5145 124.9815 55.4480 30.3993 175.7894 40 T 4.6038 7.4707 114.8606 60.0517 71.1111 172.5817 41 L 4.7632 7.1694 123.1367 52.7847 45.7355 175.8249 42 E 4.7430 8.8214 120.2350 54.0020 31.7938 175.6759 43 E 4.2238 8.7389 123.1901 58.0568 30.0458 177.1981 44 G 4.0614 9.1556 114.4091 45.4035 0.0000 173.7424 45 Q 4.0615 7.8480 121.9626 56.5436 30.0469 175.6876 46 E 4.7735 8.8298 125.7559 56.5342 31.1589 176.0841 47 V 5.0144 8.7743 115.7211 59.8275 36.7964 174.2556 48 S 5.3717 8.9287 118.3029 57.0476 65.8573 172.9165 49 F 5.3290 8.2736 115.7693 57.2590 41.7806 171.8630 50 E 4.8367 9.0791 119.8015 54.3451 32.3479 174.5392 51 I 4.8253 8.3659 127.2064 60.8612 38.3162 175.5263 52 V 4.5450 9.2439 119.8491 59.6371 35.8730 175.0461 53 Q 4.6946 8.7317 121.9550 54.6802 29.4313 175.9453 54 G 3.9758 8.6817 114.3603 43.7787 0.0000 173.1255 55 N 4.4021 8.5803 115.7660 55.1737 38.4530 176.3576 56 R 4.3747 7.8336 115.6813 55.7138 31.2074 174.7973 57 G 3.7776 8.0780 105.2874 43.1389 0.0000 171.3684 58 P 4.9073 0.0000 0.0000 63.6134 31.9777 176.1332 59 Q 4.9316 9.5113 120.6501 54.4021 33.8525 173.6710 60 A 4.9110 8.6414 123.6360 51.6537 19.5174 176.9289 61 A 4.6246 9.0431 123.3721 49.8157 22.9695 175.0755 62 N 4.2324 8.3363 115.1815 54.5517 37.3828 174.5049 63 V 4.4043 7.9135 118.8792 62.7668 33.2156 175.5844 64 T 4.9369 9.1769 124.8084 61.4457 72.0945 173.5409 65 K 4.5758 8.5857 124.8043 56.3544 32.9164 176.2560 66 E 4.4165 8.7829 124.8904 55.6015 30.5775 176.6375 67 A 4.1455 8.2023 126.1556 51.9001 18.4441 176.8899 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 8.30 4.55 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 2 Q 8.56 4.22 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 3 R 8.32 5.02 0.00 1.68 1.81 0.00 3.29 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 4 G 8.61 4.36 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 0.00 5 K 8.47 5.25 0.00 1.75 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 6 V 8.69 3.79 2.25 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 1.01 0.00 0.00 0.87 0.00 0.00 7 K 9.29 4.27 0.00 1.88 2.08 0.00 2.11 0.00 0.00 2.04 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.72 1.69 7.81 8 W 7.76 5.00 0.00 3.50 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.01 4.63 0.00 2.89 3.08 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 10 N 8.28 4.92 0.00 3.01 2.60 0.00 0.00 6.58 6.24 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 11 N 8.87 4.73 0.00 2.92 3.17 0.00 0.00 6.22 7.66 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 12 E 8.13 4.05 0.00 1.88 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 2.19 2.25 0.00 13 K 8.20 3.91 0.00 1.08 1.00 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.31 7.81 14 G 9.51 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 6.05 4.77 0.00 2.40 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 16 G 7.39 3.08 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 0.00 0.00 0.00 17 F 6.97 5.12 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.76 4.79 1.50 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.33 0.61 0.00 0.00 19 E 9.45 4.89 0.00 2.05 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 0.00 2.48 2.34 0.00 20 V 8.21 4.79 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 1.18 0.00 0.00 1.12 0.00 0.00 21 E 8.88 4.12 0.00 1.94 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 2.31 2.39 0.00 22 G 9.43 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 0.00 0.00 0.00 23 G 7.55 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 24 S 8.43 4.37 0.00 3.94 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 25 D 8.55 4.73 0.00 2.55 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 26 V 8.86 4.52 1.98 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 0.82 0.00 0.00 1.12 0.00 0.00 27 F 8.91 3.79 0.00 2.79 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 28 V 7.29 4.31 1.76 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 0.41 0.00 0.00 0.78 0.00 0.00 29 H 8.47 5.20 0.00 3.29 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.28 4.40 0.00 3.59 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.62 3.38 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 0.34 0.00 0.00 32 A 7.77 4.27 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 33 I 7.39 4.26 1.95 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.85 0.00 0.00 34 Q 8.46 4.29 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.88 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 35 G 8.54 3.94 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 0.00 0.00 0.00 36 E 8.46 4.17 0.00 1.89 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 2.24 2.32 0.00 37 G 7.62 3.71 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 0.00 0.00 0.00 38 F 8.22 4.30 0.00 3.00 2.91 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 0.00 0.00 0.00 39 K 8.51 4.37 0.00 2.01 2.15 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.55 7.81 40 T 7.47 4.60 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 1.31 0.00 0.00 41 L 7.17 4.76 0.00 0.59 1.16 0.52 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.82 4.74 0.00 2.06 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 2.22 2.36 0.00 43 E 8.74 4.22 0.00 2.06 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 2.60 2.38 0.00 44 G 9.16 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 45 Q 7.85 4.06 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 46 E 8.83 4.77 0.00 1.95 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 2.41 2.30 0.00 47 V 8.77 5.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 48 S 8.93 5.37 0.00 3.82 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 5.33 0.00 3.24 3.13 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 0.00 0.00 0.00 0.00 50 E 9.08 4.84 0.00 2.02 1.82 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 2.16 2.21 0.00 51 I 8.37 4.83 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 1.00 0.00 0.00 52 V 9.24 4.55 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 0.77 0.00 0.00 1.02 0.00 0.00 53 Q 8.73 4.69 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 54 G 8.68 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 55 N 8.58 4.40 0.00 2.68 2.86 0.00 0.00 6.70 7.66 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 56 R 7.83 4.37 0.00 1.58 1.73 0.00 2.97 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 57 G 8.08 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 58 P 0.00 4.91 0.00 2.02 2.08 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 2.09 2.27 0.00 59 Q 9.51 4.93 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 60 A 8.64 4.91 1.02 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 0.00 0.00 0.00 0.00 0.00 61 A 9.04 4.62 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 62 N 8.34 4.23 0.00 2.91 2.82 0.00 0.00 6.58 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 63 V 7.91 4.40 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 0.89 0.00 0.00 0.88 0.00 0.00 64 T 9.18 4.94 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 1.20 0.00 0.00 65 K 8.59 4.58 0.00 1.62 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.42 7.81 66 E 8.78 4.42 0.00 1.85 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 2.31 2.26 0.00 67 A 8.20 4.15 1.23 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