NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5270 8.2893 120.3321 54.9728 34.2113 176.4088 2 E 4.2852 7.9218 119.2386 53.1004 28.1967 173.9880 3 K 4.7103 8.2344 124.0996 56.7531 37.2923 178.8913 4 K 4.4053 8.2315 116.4011 56.9305 29.5772 176.5099 5 F 4.4841 7.2207 116.0981 58.4060 40.2571 176.7349 6 L 4.2985 7.8921 122.7072 56.7577 42.2440 176.9244 7 D 4.8952 7.9496 122.3324 53.2865 39.7598 176.0334 8 I 4.6738 7.1366 107.4956 60.4502 38.7547 175.6719 9 L 4.3000 8.1090 121.8806 55.7411 42.2864 176.5699 10 V 4.8137 8.1808 116.0526 59.3641 36.1935 175.2278 11 C 4.4288 8.5941 119.8487 59.2276 28.5953 173.7221 12 P 4.1945 0.0000 0.0000 64.9489 31.0750 176.7019 13 V 4.1295 7.3481 116.7195 64.6663 32.7393 176.7872 14 T 3.9923 7.7580 109.5645 62.4997 69.1876 175.3515 15 K 5.0560 7.5956 118.6843 56.4327 29.8924 175.4314 16 G 4.0658 7.3396 106.2079 45.2909 0.0000 174.1372 17 R 4.6435 8.4426 118.6225 56.1756 30.9144 176.5974 18 L 5.1209 8.2786 119.7506 52.9571 45.4142 175.8293 19 E 4.7799 8.8651 120.3937 54.6218 32.2356 174.5234 20 Y 5.1972 8.2760 122.5939 56.2395 39.8495 174.3787 21 H 4.9218 8.6243 115.8099 53.9777 31.8323 174.4900 22 Q 4.4782 8.4873 120.5338 56.5312 29.9350 173.9818 23 D 4.9218 8.8896 121.3570 55.2929 40.3517 175.7480 24 K 4.3400 7.6596 113.9751 55.3575 33.9709 176.0009 25 Q 3.5214 7.6062 117.2729 56.9444 25.9164 172.5739 26 E 5.2037 7.5854 115.8215 55.0531 32.4261 176.2885 27 L 5.0936 9.4164 124.0109 53.3054 43.7074 175.3812 28 W 5.3560 8.5015 124.4334 55.0754 31.1038 175.9491 29 S 4.7304 8.7353 118.7338 56.8497 64.2438 174.9899 30 R 4.0423 8.7677 125.6867 58.2155 30.2808 178.1738 31 Q 4.0972 8.1535 114.4259 57.8130 28.8104 176.2988 32 A 4.5683 7.1836 119.4721 50.6263 20.7889 176.2033 33 K 3.8174 7.8973 114.0207 57.2059 30.3311 174.6542 34 L 5.2257 7.2475 116.4132 52.8136 46.7102 175.2273 35 A 5.0208 8.9512 120.6360 50.8095 22.4659 174.7833 36 Y 5.2062 8.8870 120.2672 55.6588 41.0098 173.2986 37 P 5.2287 0.0000 0.0000 61.4994 33.6613 174.4707 38 I 4.6717 8.3440 123.5866 59.7122 39.1415 176.2724 39 K 4.2326 8.7691 130.0047 55.5848 30.8040 174.9916 40 D 4.3283 9.3614 120.9325 55.0838 39.7663 173.8580 41 G 3.8680 8.1265 102.5061 44.9612 0.0000 175.1898 42 I 4.0178 7.5904 122.5999 58.2241 36.3701 172.1316 43 P 4.5893 0.0000 0.0000 62.9551 31.7113 177.4449 44 Y 4.7189 8.6376 122.8276 56.8093 36.6825 175.0820 45 M 4.5376 7.9456 123.0847 55.3611 32.4184 177.3289 46 L 4.5779 7.8740 118.6372 54.5540 43.3945 177.6205 47 E 4.0104 9.0046 121.7915 59.8319 29.5688 178.4841 48 N 4.4728 8.1844 115.3793 55.7652 39.2260 175.1452 49 E 4.3710 8.0277 115.0108 56.5098 30.8350 175.6148 50 A 4.5201 8.4035 122.4519 51.4314 19.1578 177.1306 51 R 4.7724 8.4681 119.3240 53.5096 32.4785 174.1560 52 P 4.8044 0.0000 0.0000 62.8780 32.5069 175.2778 53 L 4.6474 8.1135 120.8658 53.1887 43.7671 176.8388 54 S 4.4556 9.2280 116.5986 57.2471 64.6953 175.2946 55 E 3.8559 8.6345 120.1837 59.4257 29.0641 178.8929 56 E 3.8599 8.1558 118.7563 59.5531 29.3542 178.6039 57 E 3.6434 7.2010 116.3521 59.3114 29.8472 178.8562 58 L 3.9657 8.0424 119.1478 58.0799 41.7796 180.0255 59 K 4.0961 8.7057 117.8506 58.6962 31.6311 178.1956 60 A 4.4677 7.5180 119.5606 51.9975 18.4864 177.2906 61 L 4.7262 7.2304 117.1856 55.4654 42.0818 177.6981 62 E 4.0821 7.6724 121.9646 58.8433 29.6630 175.7745 63 H 4.8371 7.4607 111.7614 54.0529 31.5037 172.4269 64 H 4.5372 8.9027 116.7029 55.6860 27.6311 174.7799 65 H 4.7329 9.5636 120.2404 54.9017 29.4762 174.0511 66 H 4.1378 8.8405 123.4050 57.2661 27.9755 174.8119 67 H 4.3253 7.5964 118.8987 57.1078 30.1119 174.7339 68 H 4.4636 7.7240 118.7656 55.6663 28.5537 172.9501 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 4.53 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 E 7.92 4.29 0.00 2.12 1.81 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 2.28 2.27 0.00 3 K 8.23 4.71 0.00 1.95 1.96 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 K 8.23 4.41 0.00 1.87 1.79 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.33 7.81 5 F 7.22 4.48 0.00 3.16 2.98 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 6 L 7.89 4.30 0.00 1.77 1.84 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.95 4.90 0.00 2.88 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 8 I 7.14 4.67 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 1.58 0.85 0.87 0.00 0.00 9 L 8.11 4.30 0.00 1.73 1.71 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.18 4.81 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 0.78 0.00 0.00 0.98 0.00 0.00 11 C 8.59 4.43 0.00 3.10 2.97 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 0.00 0.00 0.00 12 P 0.00 4.19 0.00 2.13 2.08 0.00 3.63 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.74 0.00 13 V 7.35 4.13 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 0.85 0.00 0.00 0.97 0.00 0.00 14 T 7.76 3.99 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 1.32 0.00 0.00 15 K 7.60 5.06 0.00 1.94 1.94 0.00 1.80 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.59 7.81 16 G 7.34 4.07 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 0.00 0.00 0.00 17 R 8.44 4.64 0.00 1.75 1.93 0.00 3.36 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 18 L 8.28 5.12 0.00 1.77 1.68 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.87 4.78 0.00 1.83 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 0.00 2.28 2.16 0.00 20 Y 8.28 5.20 0.00 3.01 3.02 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 21 H 8.62 4.92 0.00 3.02 3.18 0.00 5.28 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.49 4.48 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.29 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 23 D 8.89 4.92 0.00 2.77 2.77 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 24 K 7.66 4.34 0.00 1.67 1.83 0.00 2.04 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.42 7.81 25 Q 7.61 3.52 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 26 E 7.59 5.20 0.00 2.02 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 0.00 2.35 2.60 0.00 27 L 9.42 5.09 0.00 1.90 1.89 1.05 1.11 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 28 W 8.50 5.36 0.00 3.04 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 29 S 8.74 4.73 0.00 3.94 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 30 R 8.77 4.04 0.00 1.79 1.96 0.00 3.25 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 31 Q 8.15 4.10 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 32 A 7.18 4.57 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 33 K 7.90 3.82 0.00 1.91 1.81 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.35 7.81 34 L 7.25 5.23 0.00 1.25 1.24 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.95 5.02 1.18 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 36 Y 8.89 5.21 0.00 3.01 2.88 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 37 P 0.00 5.23 0.00 2.29 2.29 0.00 4.31 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.12 0.00 38 I 8.34 4.67 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 0.86 0.00 0.00 39 K 8.77 4.23 0.00 1.99 1.68 0.00 2.07 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 40 D 9.36 4.33 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.59 4.02 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.33 0.00 0.00 43 P 0.00 4.59 0.00 2.06 1.99 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 44 Y 8.64 4.72 0.00 3.02 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 45 M 7.95 4.54 0.00 1.58 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 46 L 7.87 4.58 0.00 1.80 1.66 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.00 4.01 0.00 1.97 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 2.35 2.29 0.00 48 N 8.18 4.47 0.00 2.68 2.82 0.00 0.00 6.88 7.64 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 49 E 8.03 4.37 0.00 2.03 1.99 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 2.12 2.20 0.00 50 A 8.40 4.52 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 51 R 8.47 4.77 0.00 1.85 2.02 0.00 3.02 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 52 P 0.00 4.80 0.00 2.02 2.02 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 53 L 8.11 4.65 0.00 1.27 1.21 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.23 4.46 0.00 3.88 3.91 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 55 E 8.63 3.86 0.00 1.98 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 2.35 2.32 0.00 56 E 8.16 3.86 0.00 1.99 1.90 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 2.37 2.41 0.00 57 E 7.20 3.64 0.00 1.63 1.12 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 0.00 2.03 2.15 0.00 58 L 8.04 3.97 0.00 1.72 1.64 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.71 4.10 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 60 A 7.52 4.47 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 61 L 7.23 4.73 0.00 1.84 1.71 0.87 1.26 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 62 E 7.67 4.08 0.00 2.19 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 2.37 2.27 0.00 63 H 7.46 4.84 0.00 3.22 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.90 4.54 0.00 3.20 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.56 4.73 0.00 3.22 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.84 4.14 0.00 3.20 3.35 0.00 5.92 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.60 4.33 0.00 3.19 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.72 4.46 0.00 3.21 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00