NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7447 8.3501 109.7372 46.4446 0.0000 172.8091 2 A 3.5074 8.3892 115.6598 53.3432 15.1466 176.0761 3 M 4.1256 7.9190 117.4134 55.2112 33.3316 175.3143 4 G 3.9818 7.6888 105.8339 43.7515 0.0000 172.3872 5 P 4.5779 0.0000 0.0000 61.6640 32.2775 176.0301 6 L 4.2598 8.1946 118.8969 53.6515 42.3265 175.7017 7 P 4.2870 0.0000 0.0000 62.1388 31.7913 172.4516 8 P 4.3472 0.0000 0.0000 65.9282 30.9080 174.4739 9 G 3.4773 8.5989 114.5901 45.1743 0.0000 172.4502 10 W 5.5851 8.4040 119.9664 55.9716 30.5196 175.4933 11 E 4.7615 8.7491 119.4282 55.5588 32.6370 174.5919 12 K 4.2973 8.7301 124.8496 55.5485 32.3130 176.1459 13 R 4.4888 8.3440 124.7640 54.1959 33.4653 175.2301 14 T 5.0040 7.9639 110.2218 60.2322 70.7306 174.0665 15 D 5.1347 8.6332 123.5069 52.1447 42.0151 176.9310 16 S 4.3597 8.7520 112.6812 60.9011 63.2979 174.5585 17 N 4.5907 8.7689 117.0891 53.2777 38.0373 174.9141 18 G 3.7324 7.4153 103.8862 45.1423 0.0000 173.8206 19 R 4.5307 9.8212 121.1581 55.4372 32.0957 175.7634 20 V 4.7966 8.4163 115.0586 60.0232 33.3042 174.7552 21 Y 4.7256 8.3793 123.2652 54.9730 42.1944 174.1569 22 F 5.9768 9.7376 118.1354 54.9564 41.6631 175.1178 23 V 4.8924 8.6852 124.0063 60.4578 33.8267 174.2794 24 N 4.2978 8.6881 124.0129 52.0234 39.3986 175.1563 25 H 4.1405 8.9594 125.3388 59.2323 28.9865 177.2279 26 N 4.3425 8.5188 115.8464 56.3157 38.4857 176.4359 27 T 4.0618 7.6227 106.2962 61.7221 69.6200 174.8213 28 R 3.8955 7.6629 120.1369 57.2960 28.0463 175.6535 29 I 4.2389 7.4130 117.8152 60.6401 39.2131 175.5150 30 T 4.5244 8.4803 123.8363 62.4393 68.3491 173.7948 31 Q 4.6139 9.0621 128.0616 54.4473 31.2631 175.7830 32 W 4.9200 8.3965 121.0825 57.5388 31.2764 177.1428 33 E 4.1124 8.2134 117.2243 56.0371 29.4654 175.7881 34 D 3.3700 8.2692 122.7783 52.7455 41.5857 174.5900 35 P 4.0206 0.0000 0.0000 64.5654 31.7444 176.5763 36 R 4.3347 7.4483 117.0941 56.3439 30.5009 176.2145 37 S 4.2834 7.7505 117.2375 58.3604 62.4401 173.1592 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 G 8.35 3.74 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 0.00 0.00 0.00 2 A 8.39 3.51 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 3 M 7.92 4.13 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 4 G 7.69 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 5 P 0.00 4.58 0.00 2.22 2.10 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 6 L 8.19 4.26 0.00 1.82 1.86 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.29 0.00 2.47 2.10 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 8 P 0.00 4.35 0.00 2.04 2.10 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 9 G 8.60 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 5.59 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.76 0.00 2.10 1.77 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 2.28 2.34 0.00 12 K 8.73 4.30 0.00 1.57 1.49 0.00 1.87 0.00 0.00 1.95 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.61 1.54 7.81 13 R 8.34 4.49 0.00 0.67 1.20 0.00 2.98 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.00 14 T 7.96 5.00 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 1.13 0.00 0.00 15 D 8.63 5.13 0.00 3.04 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 16 S 8.75 4.36 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 17 N 8.77 4.59 0.00 2.89 3.11 0.00 0.00 7.78 6.66 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 18 G 7.42 3.73 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 0.00 0.00 0.00 19 R 9.82 4.53 0.00 2.13 2.35 0.00 3.13 0.00 0.00 2.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 20 V 8.42 4.80 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 0.65 0.00 0.00 0.93 0.00 0.00 21 Y 8.38 4.73 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.74 5.98 0.00 2.89 3.01 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 23 V 8.69 4.89 2.38 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 1.01 0.00 0.00 1.03 0.00 0.00 24 N 8.69 4.30 0.00 1.44 2.11 0.00 0.00 6.18 7.87 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 25 H 8.96 4.14 0.00 2.93 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.52 4.34 0.00 2.62 2.76 0.00 0.00 7.06 7.34 0.00 0.00 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 T 7.62 4.06 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 1.15 0.00 0.00 28 R 7.66 3.90 0.00 1.96 2.05 0.00 3.29 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 29 I 7.41 4.24 1.85 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 1.32 0.96 1.02 0.00 0.00 30 T 8.48 4.52 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 0.09 0.00 0.00 31 Q 9.06 4.61 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 32 W 8.40 4.92 0.00 3.40 3.33 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 0.00 0.00 0.00 0.00 33 E 8.21 4.11 0.00 2.03 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 2.33 2.42 0.00 34 D 8.27 3.37 0.00 2.54 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.02 0.00 1.55 1.31 0.00 2.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.72 0.00 36 R 7.45 4.33 0.00 1.86 1.89 0.00 3.08 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 37 S 7.75 4.28 0.00 3.91 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00