NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0020 8.0549 120.3943 62.2946 32.8162 174.7315 2 M 3.9846 8.3483 122.1413 52.8912 32.0160 175.1237 3 P 4.0795 0.0000 0.0000 65.4825 32.5087 177.6579 4 K 4.2892 7.9806 116.6797 57.3832 33.1067 177.9623 5 Q 4.2376 8.7851 120.3166 57.9138 28.9873 177.2377 6 I 4.2867 7.8220 113.7233 63.0281 37.9174 178.3323 7 V 3.6774 7.5905 120.6915 64.7334 31.2124 177.6388 8 Y 4.4945 7.8333 120.3693 59.9538 38.8554 177.8157 9 W 4.1241 8.4572 119.7133 59.4628 29.1451 177.9399 10 K 4.1850 9.5412 120.7218 60.0050 31.3518 178.2169 11 Q 4.2895 10.4656 114.3499 56.9222 28.1115 176.7009 12 W 4.1115 9.1453 132.0794 58.3682 31.8316 176.3994 13 L 4.7504 8.1179 117.8948 55.7130 41.8738 177.8773 14 S 4.3356 8.3525 112.7858 61.5275 62.8655 175.4647 15 L 4.1211 7.6472 120.9905 57.6925 41.5984 179.0443 16 R 3.6814 7.0406 115.6148 60.1662 30.1242 177.6976 17 N 4.2650 7.8915 116.6291 55.0884 38.2870 174.7310 18 P 4.3891 0.0000 0.0000 66.4369 31.5857 178.7054 19 I 4.2590 7.8528 119.7165 64.0682 36.9972 178.2844 20 L 3.9265 8.2721 120.5715 57.5661 41.3535 179.3600 21 V 3.5177 7.7978 117.7151 66.2688 31.4917 177.5682 22 F 3.7771 8.6560 120.4341 61.4332 39.0590 176.9886 23 L 3.4156 7.5169 118.4211 56.9000 41.4752 179.4611 24 K 3.8973 8.1975 119.0094 59.5620 31.8737 179.3870 25 T 3.8302 8.7567 114.5659 65.2138 67.3144 176.4938 26 R 3.7966 7.7590 120.0518 59.3699 30.0744 179.1246 27 V 3.6974 7.7879 117.6657 64.8202 31.3656 178.1337 28 L 4.0824 7.6736 120.2237 58.7879 40.7229 179.3134 29 K 3.5041 9.0258 121.2601 59.1103 32.4079 179.1359 30 R 3.9411 7.9492 119.5628 58.3330 30.0253 178.5930 31 W 3.6599 8.0414 128.5121 60.2704 30.5934 178.2843 32 R 4.0935 9.0514 119.2961 59.4675 29.6376 179.0750 33 L 4.0058 8.1295 118.7642 57.9199 41.2097 179.5175 34 F 4.1852 9.2945 118.4457 59.5997 38.6041 177.2376 35 S 4.1514 8.2581 112.4952 59.8603 62.7359 175.7184 36 K 4.1831 8.9002 121.9557 59.5624 32.5444 178.5651 37 H 4.1897 8.1186 119.4123 58.5939 30.0310 174.6173 38 E 3.9450 7.4456 121.7982 56.6519 31.4960 174.3507 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 V 8.05 4.00 2.11 0.00 0.00 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 0.92 0.00 0.00 2 M 8.35 3.98 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 3 P 0.00 4.08 0.00 2.23 2.37 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 4 K 7.98 4.29 0.00 1.79 1.80 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.41 7.81 5 Q 8.79 4.24 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 6 I 7.82 4.29 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.80 0.95 0.00 0.00 7 V 7.59 3.68 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 0.96 0.00 0.00 1.02 0.00 0.00 8 Y 7.83 4.49 0.00 3.31 3.04 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 0.00 0.00 0.00 9 W 8.46 4.12 0.00 3.73 3.23 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 10 K 9.54 4.19 0.00 1.84 2.15 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.72 7.81 11 Q 10.47 4.29 0.00 2.34 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 12 W 9.15 4.11 0.00 3.42 3.22 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 13 L 8.12 4.75 0.00 2.38 1.94 1.27 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.35 4.34 0.00 4.19 3.89 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 15 L 7.65 4.12 0.00 1.54 1.57 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.04 3.68 0.00 1.34 1.38 0.00 2.89 0.00 0.00 2.83 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 17 N 7.89 4.27 0.00 3.26 2.72 0.00 0.00 6.64 7.98 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 18 P 0.00 4.39 0.00 2.25 2.34 0.00 3.80 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 2.19 2.08 0.00 19 I 7.85 4.26 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 1.08 0.00 0.00 20 L 8.27 3.93 0.00 1.76 1.69 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.80 3.52 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 1.07 0.00 0.00 0.94 0.00 0.00 22 F 8.66 3.78 0.00 3.08 3.32 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 23 L 7.52 3.42 0.00 1.70 1.48 0.73 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.20 3.90 0.00 1.91 1.77 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 25 T 8.76 3.83 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 1.30 0.00 0.00 26 R 7.76 3.80 0.00 1.78 1.83 0.00 3.38 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 27 V 7.79 3.70 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.87 0.00 0.00 28 L 7.67 4.08 0.00 1.95 2.10 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.03 3.50 0.00 1.91 2.14 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.48 7.81 30 R 7.95 3.94 0.00 1.83 1.52 0.00 3.14 0.00 0.00 2.71 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 31 W 8.04 3.66 0.00 3.57 3.28 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 0.00 32 R 9.05 4.09 0.00 2.03 2.05 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 33 L 8.13 4.01 0.00 1.90 1.88 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 F 9.29 4.19 0.00 2.87 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 35 S 8.26 4.15 0.00 4.32 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 36 K 8.90 4.18 0.00 1.86 2.16 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.48 7.81 37 H 8.12 4.19 0.00 3.12 3.54 0.00 6.09 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 38 E 7.45 3.95 0.00 2.05 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 2.32 2.14 0.00