NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6099 8.3049 118.3345 54.9535 32.9482 175.0557 2 K 4.0969 8.4293 119.5532 56.0541 32.4729 171.3439 3 V 4.0695 7.6905 111.2991 60.4270 34.9339 175.4498 4 R 3.3628 7.9265 115.4591 56.7073 29.9098 176.1536 5 A 4.0814 8.6457 122.9655 55.2630 18.6472 178.1047 6 S 4.4080 7.8696 109.3185 58.0347 63.6919 173.3179 7 V 4.1636 7.9290 117.0958 60.2596 33.0112 173.0691 8 K 3.9595 7.7251 125.6740 55.5752 32.0562 176.0663 9 K 4.2979 8.3296 120.7390 56.0121 32.4091 174.7941 10 L 4.4676 7.3762 116.8498 56.1103 44.6406 177.3127 11 C 4.6058 7.3881 112.0798 55.0928 42.7941 174.9018 12 R 3.7981 8.3426 115.6371 58.6600 29.2726 177.1400 13 N 4.6385 7.9936 113.6844 53.5945 39.0963 175.0422 14 C 4.4831 7.4249 116.4525 60.1704 28.7232 172.6571 15 K 4.2340 9.0918 123.1321 58.0685 33.4045 173.9670 16 I 3.7438 9.3556 123.3313 61.2372 36.6958 173.3171 17 V 4.2895 8.5570 123.3120 61.5812 34.7827 172.2944 18 K 4.5336 8.6111 128.4547 55.3128 32.9330 175.7110 19 R 4.6911 8.2438 125.3513 55.6264 33.7497 175.2141 20 D 4.2843 8.5159 122.0268 55.8043 40.3105 175.3067 21 G 4.1876 8.7290 112.0118 45.3923 0.0000 173.1083 22 V 4.3368 7.8045 118.9507 61.0291 35.1350 174.1838 23 I 4.3304 8.5317 129.6640 61.4103 38.1458 175.5041 24 R 4.8102 9.0905 125.7923 54.2548 34.5664 174.8344 25 V 4.7242 8.2945 118.9812 61.3716 34.6246 174.1826 26 I 4.8441 8.5067 127.7686 59.6681 40.3239 174.9627 27 C 5.4498 8.6285 124.7779 55.1139 46.0353 173.7579 28 S 4.2627 8.8688 119.0014 59.9619 63.9821 175.5543 29 A 4.0399 8.0964 123.1725 54.4156 18.4250 177.1952 30 E 4.4359 7.8830 117.7483 54.1904 32.0692 173.3212 31 P 4.2296 0.0000 0.0000 65.8679 31.5244 178.6306 32 K 3.7967 8.1564 115.2705 60.0574 31.9213 177.4636 33 H 4.5769 8.1224 113.2826 56.4268 29.0215 175.1315 34 K 4.5504 8.1963 123.3516 56.4278 33.1198 175.7542 35 Q 5.1129 8.8278 124.3420 54.9276 33.8679 174.0584 36 R 4.3059 8.2631 119.4837 56.8790 33.1695 174.2533 37 Q 3.0600 8.3351 112.7600 57.4369 26.9824 175.2863 38 G 3.7591 7.9106 113.1076 45.7367 0.0000 172.0332 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 4.61 0.00 2.04 2.19 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 2.47 2.59 0.00 2 K 8.43 4.10 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.49 7.81 3 V 7.69 4.07 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 0.76 0.00 0.00 0.93 0.00 0.00 4 R 7.93 3.36 0.00 2.00 1.94 0.00 3.04 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 5 A 8.65 4.08 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 6 S 7.87 4.41 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.16 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 1.07 0.00 0.00 0.93 0.00 0.00 8 K 7.73 3.96 0.00 1.90 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.44 7.81 9 K 8.33 4.30 0.00 1.69 1.70 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.50 7.81 10 L 7.38 4.47 0.00 0.93 1.34 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.39 4.61 0.00 3.14 3.34 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 0.00 0.00 0.00 0.00 12 R 8.34 3.80 0.00 1.94 2.10 0.00 3.03 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 13 N 7.99 4.64 0.00 2.75 2.90 0.00 0.00 6.94 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 7.42 4.48 0.00 3.22 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.09 4.23 0.00 1.67 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.53 7.81 16 I 9.36 3.74 1.87 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 1.29 0.60 0.91 0.00 0.00 17 V 8.56 4.29 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 0.94 0.00 0.00 0.93 0.00 0.00 18 K 8.61 4.53 0.00 1.75 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 19 R 8.24 4.69 0.00 1.83 1.77 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 20 D 8.52 4.28 0.00 2.79 1.76 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 21 G 8.73 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 0.00 0.00 0.00 0.00 22 V 7.80 4.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 23 I 8.53 4.33 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 1.34 0.59 0.91 0.00 0.00 24 R 9.09 4.81 0.00 1.83 1.80 0.00 3.06 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 1.66 1.69 0.00 25 V 8.29 4.72 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 1.00 0.00 0.00 0.98 0.00 0.00 26 I 8.51 4.84 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 1.23 0.76 0.92 0.00 0.00 27 C 8.63 5.45 0.00 2.97 3.06 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 28 S 8.87 4.26 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.04 1.32 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 0.00 0.00 30 E 7.88 4.44 0.00 1.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 31 P 0.00 4.23 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 32 K 8.16 3.80 0.00 1.66 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 33 H 8.12 4.58 0.00 3.32 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.20 4.55 0.00 1.92 1.68 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 35 Q 8.83 5.11 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.25 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 36 R 8.26 4.31 0.00 1.79 1.78 0.00 3.33 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 37 Q 8.34 3.06 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 38 G 7.91 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 0.00 0.00 0.00