NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4031 8.3044 120.3281 54.5595 33.4042 174.8286 2 K 3.7364 8.6582 124.6205 56.3837 31.6552 175.1008 3 R 4.5485 8.2150 125.5114 54.6197 32.8255 176.8415 4 T 3.9465 8.5195 109.1232 64.1118 68.5943 174.0252 5 W 4.8332 7.5778 129.3249 56.3074 30.9595 176.2365 6 Q 4.2937 7.4717 126.3384 53.2754 28.2623 173.2227 7 P 3.0956 0.0000 0.0000 62.2758 31.9992 176.6526 8 N 4.7357 8.2055 120.5529 50.7061 41.7637 174.3366 9 R 3.9245 8.6928 127.4379 59.4895 30.6521 178.4384 10 R 4.0221 7.9382 117.6103 59.3479 30.1916 177.8475 11 K 3.7758 8.2501 118.8413 59.9370 31.9710 178.3654 12 R 4.0835 8.2231 118.1810 59.6737 29.8747 177.6627 13 A 4.1238 8.1050 121.3226 54.5071 18.1899 179.3073 14 K 3.9005 8.0163 116.5824 59.8424 32.3229 179.4644 15 T 4.0056 7.7172 114.7467 66.4045 68.7262 175.4649 16 H 4.7800 7.7124 114.0240 54.9706 29.9877 175.2648 17 G 4.0744 8.5011 110.2957 45.5420 0.0000 174.2892 18 F 4.2485 8.8615 122.4628 60.9247 39.2256 177.5019 19 R 3.7233 8.3019 115.8802 59.2643 29.8391 178.6422 20 A 4.0580 7.7323 119.8455 55.3573 18.6224 179.5365 21 R 3.8280 8.1418 116.6119 59.7683 29.8429 179.3466 22 M 3.8465 7.6403 117.9096 57.7081 32.9706 178.3822 23 R 4.2437 7.2533 115.6514 53.8679 28.4635 176.5406 24 T 4.0578 7.0454 110.2653 60.4196 70.7500 170.5964 25 P 4.3096 0.0000 0.0000 66.6463 30.7113 178.8969 26 G 3.7087 8.0599 104.6604 46.6362 0.0000 175.2962 27 G 4.3010 7.9354 108.8041 47.3887 0.0000 175.4149 28 R 3.9003 8.0253 121.4339 59.0661 30.1279 179.3330 29 K 4.1569 8.0425 117.5119 59.1668 31.9441 179.4195 30 V 3.7168 7.9418 118.9204 65.4055 31.4001 178.1456 31 L 4.0615 7.7054 118.4954 57.4916 41.6864 178.9891 32 K 3.9449 8.6552 119.8940 59.7664 32.2108 179.1169 33 R 4.0051 8.2839 118.6051 59.0586 29.7575 179.4264 34 R 3.9090 8.0265 118.0088 59.3014 30.1472 178.9320 35 R 3.9972 8.2968 118.1740 59.5055 29.9223 178.5536 36 Q 3.9616 7.8775 117.8040 59.4928 29.1065 178.6507 37 K 4.1566 7.9354 118.4520 56.7134 33.5951 175.3475 38 G 3.6677 8.2919 107.6816 45.8583 0.0000 172.9120 39 R 4.7141 7.9444 119.4447 54.8419 32.4580 177.3983 40 W 4.5445 8.7802 119.9086 58.4214 29.6336 177.1176 41 R 4.7034 7.9138 116.4696 54.3664 32.4346 175.0694 42 L 4.3599 8.7561 122.6724 56.3479 42.2149 177.2900 43 T 4.6026 7.5763 114.8717 60.6242 71.1660 171.1036 44 P 4.3275 0.0000 0.0000 62.6434 31.6137 176.0009 45 A 4.1632 8.4771 126.3478 52.6352 18.9449 176.3226 46 V 4.4922 7.9230 119.3193 62.1934 34.4301 172.6066 47 R 4.6865 7.7947 119.2235 55.1759 32.3637 175.1220 48 K 4.0335 8.2842 116.1642 57.7446 31.8907 174.8122 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 4.40 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 K 8.66 3.74 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.22 4.55 0.00 1.94 1.90 0.00 3.39 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 4 T 8.52 3.95 4.32 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 1.26 0.00 0.00 5 W 7.58 4.83 0.00 3.29 3.07 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 6 Q 7.47 4.29 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.48 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 7 P 0.00 3.10 0.00 2.03 1.85 0.00 3.32 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 8 N 8.21 4.74 0.00 2.62 2.52 0.00 0.00 7.18 7.65 0.00 0.00 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 R 8.69 3.92 0.00 1.82 2.00 0.00 3.47 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 10 R 7.94 4.02 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.25 3.78 0.00 2.00 1.98 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 R 8.22 4.08 0.00 2.16 2.16 0.00 3.43 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 13 A 8.11 4.12 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 14 K 8.02 3.90 0.00 1.73 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.50 7.81 15 T 7.72 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 16 H 7.71 4.78 0.00 3.15 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.50 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 18 F 8.86 4.25 0.00 3.13 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 19 R 8.30 3.72 0.00 1.87 2.01 0.00 3.33 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 20 A 7.73 4.06 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 21 R 8.14 3.83 0.00 1.89 1.96 0.00 3.31 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 22 M 7.64 3.85 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.50 0.00 23 R 7.25 4.24 0.00 1.91 1.94 0.00 3.10 0.00 0.00 3.12 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 24 T 7.05 4.06 4.22 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 1.29 0.00 0.00 25 P 0.00 4.31 0.00 2.29 2.32 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 26 G 8.06 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 27 G 7.94 4.30 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 0.00 28 R 8.03 3.90 0.00 2.07 2.01 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 29 K 8.04 4.16 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.63 7.81 30 V 7.94 3.72 2.26 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 1.06 0.00 0.00 1.01 0.00 0.00 31 L 7.71 4.06 0.00 1.93 1.79 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.66 3.94 0.00 1.86 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 R 8.28 4.01 0.00 2.13 1.98 0.00 3.19 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 34 R 8.03 3.91 0.00 2.12 2.02 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 35 R 8.30 4.00 0.00 2.00 2.02 0.00 3.19 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 36 Q 7.88 3.96 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 37 K 7.94 4.16 0.00 1.92 2.00 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 8.29 3.67 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 0.00 0.00 0.00 39 R 7.94 4.71 0.00 1.84 2.08 0.00 3.33 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 40 W 8.78 4.54 0.00 3.20 3.26 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 0.00 41 R 7.91 4.70 0.00 1.78 1.85 0.00 3.34 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 42 L 8.76 4.36 0.00 1.73 1.82 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.58 4.60 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 44 P 0.00 4.33 0.00 2.07 2.06 0.00 3.75 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 2.00 2.12 0.00 45 A 8.48 4.16 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 46 V 7.92 4.49 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 0.83 0.00 0.00 1.06 0.00 0.00 47 R 7.79 4.69 0.00 1.92 1.88 0.00 3.14 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 48 K 8.28 4.03 0.00 1.83 1.76 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.33 7.81