NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4159 8.3044 118.1949 54.5605 32.7830 175.0262 2 K 3.9375 8.3559 122.4316 56.2649 32.6415 170.5106 3 V 3.9727 8.5100 116.0885 57.8654 33.2399 172.3296 4 R 3.7255 8.2237 123.5494 55.6306 30.8836 177.6063 5 A 4.0898 8.7661 124.7352 54.2456 18.6293 177.1210 6 S 4.5937 7.3299 112.4797 56.7695 63.0373 173.9025 7 V 3.7087 7.7129 127.0633 58.4462 32.0227 176.7034 8 K 3.7348 7.9022 126.4067 53.9522 32.9120 175.4402 9 K 4.3806 8.1368 120.2766 56.9347 33.5246 176.2897 10 L 4.7083 8.0605 113.7334 55.3172 46.9304 176.1784 11 C 4.3161 7.5557 116.1432 58.1082 32.3413 175.1046 12 R 4.5095 8.7325 113.4492 55.8963 30.2850 176.4060 13 N 4.5649 7.9925 114.7734 54.1565 39.5726 173.9230 14 C 4.1359 8.1589 115.1162 59.9527 28.0470 173.6793 15 K 3.9490 9.3701 127.5817 59.6764 32.1492 176.0237 16 I 3.2096 7.6719 117.9286 62.5293 32.5185 172.9405 17 V 4.1305 7.3336 122.3633 61.6997 33.2537 174.6687 18 K 4.9250 8.0775 124.3875 54.5097 31.8757 175.0755 19 R 4.3023 7.8434 121.0784 55.8011 32.0741 176.7242 20 D 4.5111 8.9163 119.7492 54.9492 40.2926 174.3318 21 G 4.0039 8.3745 111.5979 46.0296 0.0000 172.8941 22 V 3.6685 7.4043 112.6138 61.5422 31.1639 177.3798 23 I 4.0908 7.9516 130.2446 60.8415 34.8675 175.4961 24 R 4.3384 7.7264 121.3169 56.3000 32.0951 176.9697 25 V 4.7439 8.2376 118.3262 62.1723 35.2450 173.7835 26 I 4.7105 8.5901 127.5174 59.5353 41.3907 173.7600 27 C 5.1677 8.4863 125.8757 57.4650 33.6233 174.5863 28 S 4.2811 9.0568 120.8096 59.9678 62.4863 174.7231 29 A 4.2343 6.9683 123.4330 52.6899 19.4139 176.4184 30 E 4.6449 7.4066 111.1649 53.3619 32.3833 175.8430 31 P 4.2799 0.0000 0.0000 65.4705 31.7531 178.6500 32 K 4.0495 8.1364 116.4552 59.8573 32.0698 177.8865 33 H 4.2489 7.9093 114.8058 58.2455 28.7294 175.2272 34 K 4.2782 8.3800 121.1306 57.0217 32.2433 176.1405 35 Q 4.8522 8.6668 124.9062 54.3419 33.6894 173.9809 36 R 4.8130 8.1997 119.7613 55.5071 33.8923 171.5949 37 Q 3.2135 9.0463 122.7001 56.2649 28.7082 173.7192 38 G 3.7360 8.3962 112.2115 45.9200 0.0000 171.6073 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 4.42 0.00 2.14 2.32 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 2.54 0.00 2 K 8.36 3.94 0.00 1.94 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.58 7.81 3 V 8.51 3.97 2.23 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 0.79 0.00 0.00 0.93 0.00 0.00 4 R 8.22 3.73 0.00 2.09 1.97 0.00 3.13 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 1.62 1.61 0.00 5 A 8.77 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.59 0.00 4.00 3.80 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 0.00 0.00 0.00 7 V 7.71 3.71 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 0.74 0.00 0.00 0.96 0.00 0.00 8 K 7.90 3.73 0.00 1.89 1.81 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.14 4.38 0.00 1.87 1.84 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 L 8.06 4.71 0.00 1.27 1.32 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.56 4.32 0.00 3.08 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.51 0.00 1.91 2.06 0.00 3.02 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 13 N 7.99 4.56 0.00 2.73 2.91 0.00 0.00 6.97 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 8.16 4.14 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 3.95 0.00 1.63 1.93 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 16 I 7.67 3.21 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 1.30 0.95 0.00 0.00 17 V 7.33 4.13 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 0.97 0.00 0.00 0.93 0.00 0.00 18 K 8.08 4.93 0.00 1.70 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 7.84 4.30 0.00 1.91 1.82 0.00 3.33 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 20 D 8.92 4.51 0.00 2.79 2.53 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 0.00 0.00 0.00 21 G 8.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 3.67 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 0.70 0.00 0.00 1.01 0.00 0.00 23 I 7.95 4.09 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 1.41 0.61 0.91 0.00 0.00 24 R 7.73 4.34 0.00 1.81 2.08 0.00 3.12 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 25 V 8.24 4.74 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 0.92 0.00 0.00 0.93 0.00 0.00 26 I 8.59 4.71 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 0.91 0.00 0.00 27 C 8.49 5.17 0.00 3.03 2.93 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 28 S 9.06 4.28 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 6.97 4.23 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 7.41 4.64 0.00 1.53 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 31 P 0.00 4.28 0.00 2.16 2.09 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 32 K 8.14 4.05 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.63 7.81 33 H 7.91 4.25 0.00 3.27 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.38 4.28 0.00 1.72 2.01 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 35 Q 8.67 4.85 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.28 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 36 R 8.20 4.81 0.00 1.77 1.78 0.00 3.41 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 1.54 0.00 37 Q 9.05 3.21 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 38 G 8.40 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