NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4693 8.1627 120.3280 55.0911 33.2270 176.3975 2 K 3.5607 8.7656 120.7757 57.8326 32.5115 169.7056 3 V 3.3722 7.9201 121.7578 62.8407 31.3311 171.4372 4 R 4.0773 8.5001 126.1811 57.2191 30.5678 176.4564 5 A 4.3159 7.7251 118.8188 53.0137 18.6390 176.8831 6 S 4.7078 8.1310 107.0283 57.1066 63.8936 174.6196 7 V 4.3026 7.4166 129.0610 62.5654 32.2131 172.9125 8 K 4.6090 8.1307 118.1442 55.3953 34.1838 175.7603 9 K 4.0223 8.7278 119.5155 59.8069 32.3759 173.0376 10 L 3.5674 8.2108 126.6810 55.3045 43.2206 173.0553 11 C 3.9801 8.5742 127.1320 58.7757 32.1118 173.2023 12 R 4.1848 8.4955 121.2916 59.3138 30.3791 179.8327 13 N 4.7478 7.9263 115.1508 53.6818 38.2220 174.3516 14 C 5.8338 7.7325 114.0831 57.0102 31.4015 174.5652 15 K 4.4151 8.4084 123.2695 55.6900 33.3030 177.0403 16 I 4.0835 8.2206 119.9604 62.9535 37.6861 175.1332 17 V 3.5487 7.8681 122.2869 62.3005 31.5656 171.4886 18 K 4.6948 8.0877 121.5956 56.6323 33.1597 178.0784 19 R 4.0801 8.3162 116.7125 58.9504 29.2795 176.0383 20 D 4.3975 7.7816 115.9401 53.0306 42.5045 176.1479 21 G 3.9027 9.1056 107.8896 45.7128 0.0000 173.5441 22 V 3.5365 7.8615 113.5833 61.1655 31.3604 175.8397 23 I 3.6446 8.7047 119.5185 62.9569 37.3748 176.2896 24 R 4.2631 7.8740 119.8811 55.4630 29.8499 175.4205 25 V 4.6418 7.8417 117.1211 62.1304 32.6120 174.0623 26 I 3.8108 8.0672 112.7622 61.4572 38.0312 174.1212 27 C 5.5053 8.7539 120.2843 56.7002 32.2961 175.2452 28 S 4.0158 9.0560 116.5078 61.0098 63.2561 175.4058 29 A 3.9465 7.4803 121.5482 53.6554 17.6472 177.4051 30 E 4.7520 8.6615 112.0209 52.2922 33.0417 176.0693 31 P 4.2359 0.0000 0.0000 64.5788 31.4600 177.3500 32 K 3.8321 7.0188 119.4280 59.6673 32.4093 175.9539 33 H 4.6670 8.0950 122.7753 54.4591 28.2190 174.5507 34 K 4.4052 8.2697 124.2768 56.0271 33.5792 176.6720 35 Q 3.3055 7.9973 115.2167 57.5509 26.1051 175.7753 36 R 4.1133 7.7917 122.3143 56.5064 28.6833 175.9142 37 Q 4.4783 8.1672 125.6882 54.0868 27.5682 176.8402 38 G 3.7102 7.5865 112.9379 46.6292 0.0000 170.2968 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 8.16 4.47 0.00 2.10 2.00 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 2.59 2.54 0.00 2 K 8.77 3.56 0.00 1.83 1.81 0.00 1.91 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.43 7.81 3 V 7.92 3.37 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 0.81 0.00 0.00 0.99 0.00 0.00 4 R 8.50 4.08 0.00 1.81 1.93 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 5 A 7.73 4.32 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 8.13 4.71 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.42 4.30 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 0.81 0.00 0.00 0.94 0.00 0.00 8 K 8.13 4.61 0.00 1.73 1.61 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 9 K 8.73 4.02 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 L 8.21 3.57 0.00 1.77 1.69 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.57 3.98 0.00 3.23 2.90 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 0.00 0.00 0.00 12 R 8.50 4.18 0.00 1.82 1.96 0.00 3.32 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 1.62 1.71 0.00 13 N 7.93 4.75 0.00 2.78 2.82 0.00 0.00 6.79 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 7.73 5.83 0.00 2.97 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 15 K 8.41 4.42 0.00 1.71 1.73 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.50 7.81 16 I 8.22 4.08 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 0.78 0.91 0.00 0.00 17 V 7.87 3.55 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 0.79 0.00 0.00 0.92 0.00 0.00 18 K 8.09 4.69 0.00 1.95 1.91 0.00 1.45 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 19 R 8.32 4.08 0.00 1.94 2.10 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 20 D 7.78 4.40 0.00 2.78 2.73 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 21 G 9.11 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.86 3.54 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 23 I 8.70 3.64 2.05 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 1.30 0.94 0.98 0.00 0.00 24 R 7.87 4.26 0.00 1.90 2.03 0.00 3.04 0.00 0.00 3.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 25 V 7.84 4.64 2.25 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 0.84 0.00 0.00 1.02 0.00 0.00 26 I 8.07 3.81 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.90 0.00 0.00 27 C 8.75 5.51 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.02 0.00 4.00 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 29 A 7.48 3.95 1.30 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 30 E 8.66 4.75 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 31 P 0.00 4.24 0.00 2.21 2.23 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 32 K 7.02 3.83 0.00 1.93 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.47 7.81 33 H 8.10 4.67 0.00 3.28 3.30 0.00 5.54 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.27 4.41 0.00 1.82 1.75 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.36 7.81 35 Q 8.00 3.31 0.00 2.05 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 36 R 7.79 4.11 0.00 1.76 1.99 0.00 3.30 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 37 Q 8.17 4.48 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 38 G 7.59 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