NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5428 8.3044 120.6139 55.3117 33.8473 174.8228 2 K 4.0520 8.7540 127.8567 54.9565 31.5956 172.4332 3 V 3.4464 8.6619 120.3116 64.2948 33.0212 177.6399 4 R 3.3423 7.8795 117.8303 57.9406 29.9211 176.7883 5 A 4.8407 8.1854 118.5564 53.7511 21.0568 176.9617 6 S 4.5998 7.9457 111.7602 57.8731 66.5800 178.7264 7 V 2.7046 9.4103 116.2729 60.9867 32.8026 173.6708 8 K 3.6860 9.2223 119.9016 54.3826 33.3081 173.7850 9 K 4.2154 8.2834 121.6167 57.4171 32.7910 175.6396 10 L 4.6239 8.1616 113.7142 55.8057 47.5130 175.4228 11 C 4.6915 7.4862 111.4209 57.0647 32.0075 174.0297 12 R 4.2467 8.6697 115.3010 57.7114 29.5634 176.1248 13 N 4.9576 7.8057 116.5854 53.5269 39.2850 174.0534 14 C 5.3525 7.9888 115.8418 57.0816 29.8127 173.7822 15 K 4.0619 8.6820 126.3139 57.0084 32.4997 176.9373 16 I 3.7174 8.3738 118.1348 61.7972 36.2990 172.7271 17 V 4.4377 8.1307 122.0374 60.9976 34.5138 174.2845 18 K 4.4394 8.4771 126.7651 54.4385 31.9513 173.9263 19 R 4.3666 8.0773 122.6343 55.0304 30.6161 176.2261 20 D 4.6655 9.0148 124.6109 55.5899 37.4779 175.6012 21 G 3.8851 8.3169 104.7772 46.1598 0.0000 175.5493 22 V 4.0031 7.0578 120.6839 60.8069 29.8623 173.2328 23 I 3.8249 8.0037 122.1609 62.0383 38.2126 174.8058 24 R 4.8792 9.6150 128.7341 54.4970 34.0040 174.8011 25 V 4.8370 8.0785 118.3214 61.9749 35.2859 174.1180 26 I 4.6785 8.5021 120.6546 59.1594 40.4215 173.4627 27 C 5.7659 8.4513 126.1180 57.0222 33.5272 174.3376 28 S 4.1266 9.0528 121.1859 59.6791 62.2397 173.9872 29 A 4.3668 6.7381 121.8615 51.4955 20.6812 175.9616 30 E 4.5651 7.3481 110.2873 53.2757 31.8102 175.9620 31 P 4.2387 0.0000 0.0000 65.3537 31.8740 178.5262 32 K 3.8133 8.2623 116.8102 59.9813 31.9935 177.6901 33 H 4.1832 7.7958 114.5756 58.5765 28.8865 174.8961 34 K 4.4843 8.5045 121.3503 56.6349 31.4831 175.8979 35 Q 5.5195 8.3587 125.1593 53.2741 32.7349 176.3687 36 R 4.7232 8.3784 120.9754 56.6178 31.6322 177.4554 37 Q 3.7224 8.8529 124.4812 55.7010 28.6123 176.4663 38 G 3.7457 8.3794 114.0451 46.0790 0.0000 171.7462 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 4.54 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 2 K 8.75 4.05 0.00 1.83 1.71 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.48 7.81 3 V 8.66 3.45 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 0.72 0.00 0.00 0.93 0.00 0.00 4 R 7.88 3.34 0.00 1.86 1.87 0.00 3.42 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 A 8.19 4.84 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 6 S 7.95 4.60 0.00 3.81 3.85 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 7 V 9.41 2.70 2.28 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 0.65 0.00 0.00 0.93 0.00 0.00 8 K 9.22 3.69 0.00 2.01 1.79 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.28 4.22 0.00 1.87 1.86 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 10 L 8.16 4.62 0.00 1.33 1.29 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.49 4.69 0.00 3.07 3.05 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 12 R 8.67 4.25 0.00 1.95 2.09 0.00 2.98 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 13 N 7.81 4.96 0.00 2.89 2.89 0.00 0.00 6.72 7.54 0.00 0.00 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 5.35 0.00 2.91 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 8.68 4.06 0.00 1.69 1.82 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.51 7.81 16 I 8.37 3.72 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 1.30 0.51 0.96 0.00 0.00 17 V 8.13 4.44 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 8.48 4.44 0.00 1.71 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 8.08 4.37 0.00 1.90 1.85 0.00 3.27 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 20 D 9.01 4.67 0.00 2.84 2.82 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 0.00 0.00 0.00 0.00 21 G 8.32 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.06 4.00 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 0.78 0.00 0.00 1.04 0.00 0.00 23 I 8.00 3.82 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 0.65 0.91 0.00 0.00 24 R 9.61 4.88 0.00 1.65 1.85 0.00 3.19 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 1.54 1.72 0.00 25 V 8.08 4.84 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 1.05 0.00 0.00 0.97 0.00 0.00 26 I 8.50 4.68 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 1.36 0.91 0.00 0.00 27 C 8.45 5.77 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.13 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 6.74 4.37 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.57 0.00 1.54 1.73 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 2.25 2.22 0.00 31 P 0.00 4.24 0.00 2.16 2.08 0.00 3.59 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 8.26 3.81 0.00 1.79 1.94 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 33 H 7.80 4.18 0.00 3.15 3.36 0.00 5.69 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 8.50 4.48 0.00 1.80 1.90 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.28 7.81 35 Q 8.36 5.52 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 36 R 8.38 4.72 0.00 1.75 1.06 0.00 3.27 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 37 Q 8.85 3.72 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 38 G 8.38 3.75 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 0.00 0.00 0.00