NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6740 8.3044 120.6139 55.4554 33.4355 174.9494 2 K 4.2010 8.7519 127.5873 55.4224 33.2154 170.4019 3 V 3.9879 8.6949 112.8081 61.8218 34.9619 177.4513 4 R 3.4283 7.7062 116.2630 56.9417 29.2700 175.7233 5 A 4.4945 8.3244 118.4512 52.9743 20.0425 177.7071 6 S 4.6763 7.6081 111.6326 55.7980 62.5558 173.7153 7 V 3.4608 7.7988 122.2252 63.2500 31.5746 176.6797 8 K 3.7292 7.8467 125.8384 54.2162 32.9331 176.5911 9 K 4.3868 8.1475 121.2226 57.3815 33.2841 174.0122 10 L 4.3598 7.7280 118.8299 54.8211 49.8100 177.6975 11 C 4.6372 7.8052 122.1413 57.2632 32.7633 173.8617 12 R 4.1748 8.4803 114.4712 58.1111 29.7035 176.1489 13 N 4.8850 8.0332 116.0492 53.5123 39.9178 173.5546 14 C 4.8856 7.9854 117.1214 58.9716 28.9739 173.0268 15 K 4.0740 8.8691 124.8433 57.0442 33.0608 175.3939 16 I 3.7329 7.5281 117.0652 62.3744 33.0983 173.0731 17 V 3.9757 7.2097 121.8674 62.1675 32.8813 174.5638 18 K 4.9528 8.0527 124.6373 53.3485 32.0193 174.1131 19 R 4.2744 7.9742 121.6904 55.5370 30.9357 174.3783 20 D 4.7389 8.7624 123.7736 53.8846 39.5703 173.9973 21 G 4.0558 7.3449 109.5670 46.4340 0.0000 173.4639 22 V 3.7488 7.4968 114.8074 61.3578 31.4309 175.8796 23 I 4.4621 8.0542 127.8586 61.2276 35.4972 176.0036 24 R 4.5715 8.6429 126.7764 55.2460 32.6847 175.0557 25 V 4.7821 8.1753 118.4759 61.3489 34.9635 174.0119 26 I 4.6184 8.3981 127.3240 59.5480 40.8854 173.6191 27 C 5.9434 8.8546 126.7790 56.4099 33.9025 173.5509 28 S 4.6345 8.7358 120.6621 58.9807 62.8142 174.1237 29 A 4.4570 8.1872 120.7780 53.4792 20.7854 176.5867 30 E 4.6080 7.5234 113.2032 53.6676 31.9905 175.8596 31 P 4.3751 0.0000 0.0000 64.9387 31.7154 178.7155 32 K 4.1112 7.2556 114.8824 59.2685 31.9808 177.7480 33 H 4.4880 7.9515 114.3989 56.9509 29.0622 176.4793 34 K 4.5753 7.8395 119.6412 55.9313 30.3290 176.3348 35 Q 5.4698 7.6158 124.5961 56.0381 31.6769 174.8404 36 R 4.0994 8.5819 120.9014 58.0720 34.5009 176.9841 37 Q 3.0800 8.8972 110.3557 57.0027 27.2131 174.7184 38 G 4.4964 7.5933 112.5446 45.4516 0.0000 172.4395 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 4.67 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 2 K 8.75 4.20 0.00 1.87 1.65 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 V 8.69 3.99 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 4 R 7.71 3.43 0.00 1.90 1.91 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 5 A 8.32 4.49 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 6 S 7.61 4.68 0.00 3.82 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 7 V 7.80 3.46 2.34 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 0.78 0.00 0.00 0.96 0.00 0.00 8 K 7.85 3.73 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 K 8.15 4.39 0.00 1.87 1.80 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 L 7.73 4.36 0.00 1.49 1.22 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.81 4.64 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 4.17 0.00 1.95 2.09 0.00 3.02 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 13 N 8.03 4.88 0.00 2.69 2.86 0.00 0.00 7.07 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 14 C 7.99 4.89 0.00 2.86 2.86 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 15 K 8.87 4.07 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 16 I 7.53 3.73 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 1.28 0.46 0.95 0.00 0.00 17 V 7.21 3.98 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 18 K 8.05 4.95 0.00 1.70 1.66 0.00 1.64 0.00 0.00 2.36 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.37 7.81 19 R 7.97 4.27 0.00 1.91 1.82 0.00 3.30 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 20 D 8.76 4.74 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 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 22 V 7.50 3.75 2.08 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 0.88 0.00 0.00 0.98 0.00 0.00 23 I 8.05 4.46 1.76 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 1.34 0.68 0.91 0.00 0.00 24 R 8.64 4.57 0.00 1.80 1.87 0.00 3.12 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 25 V 8.18 4.78 2.09 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 1.13 0.00 0.00 1.01 0.00 0.00 26 I 8.40 4.62 1.88 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 1.23 1.10 0.91 0.00 0.00 27 C 8.85 5.94 0.00 3.04 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 28 S 8.74 4.63 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.46 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 30 E 7.52 4.61 0.00 1.44 1.63 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 2.21 2.17 0.00 31 P 0.00 4.38 0.00 2.16 2.09 0.00 3.56 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 2.08 0.00 32 K 7.26 4.11 0.00 1.76 1.91 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 33 H 7.95 4.49 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.84 4.58 0.00 1.99 1.78 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 35 Q 7.62 5.47 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 36 R 8.58 4.10 0.00 1.79 1.61 0.00 3.31 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 37 Q 8.90 3.08 0.00 2.13 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 38 G 7.59 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00