NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5717 8.3049 120.2756 55.3761 32.4848 174.4091 2 K 4.0570 8.8789 122.4927 55.7078 33.0436 172.9797 3 V 4.2816 8.2637 113.5467 60.6242 33.7333 175.8911 4 R 3.9078 7.9542 120.6082 56.4716 30.3616 176.9009 5 A 4.1250 8.5570 125.9279 54.3038 18.6972 178.2411 6 S 4.6111 7.2375 108.2938 57.5973 64.0530 173.8100 7 V 3.9320 8.3477 124.5463 64.3470 32.6931 177.4016 8 K 3.5436 7.6518 118.2496 57.3775 31.5153 173.8694 9 K 4.7537 8.3236 118.4221 55.7339 35.7211 175.6875 10 L 4.5608 8.3201 119.9131 55.6999 43.6151 175.8110 11 C 4.5402 7.5384 110.8537 57.7161 31.8875 173.3713 12 R 4.4191 8.4149 113.8186 56.2803 29.0207 176.4272 13 N 4.7772 7.9786 113.6250 53.3994 39.3728 174.0218 14 C 5.2264 8.1499 116.0273 56.8185 30.5545 173.1365 15 K 4.6691 8.4343 123.6437 55.0941 35.7200 175.4084 16 I 4.3759 8.2683 122.5284 60.3502 37.6487 174.8199 17 V 4.7209 7.8898 120.7994 59.8941 36.3653 174.3146 18 K 4.8323 8.3129 119.0611 56.3480 35.5683 175.2313 19 R 4.4697 8.2226 116.7700 55.3131 33.4563 174.8159 20 D 4.2312 8.6139 124.6732 55.7865 38.7991 175.9468 21 G 3.8291 8.8034 115.1839 47.4815 0.0000 172.8713 22 V 4.4325 7.5781 113.6924 59.5250 34.6363 175.0634 23 I 4.2764 8.4157 125.2721 60.1862 36.6114 175.4655 24 R 4.7354 8.0540 127.0826 54.8572 33.2997 175.9985 25 V 4.7661 7.8468 119.1668 60.8209 34.9252 173.5695 26 I 4.5406 8.4405 128.0762 60.0483 39.8751 173.8684 27 C 5.0134 8.3598 127.1053 57.6628 34.3528 174.2772 28 S 4.3666 8.8564 121.8589 60.2896 63.8333 175.0602 29 A 4.7519 7.3204 122.0200 51.5194 18.6881 176.9760 30 E 4.0362 8.7483 118.7340 57.6253 30.6777 175.1448 31 P 4.8004 0.0000 0.0000 62.1170 30.2958 176.0691 32 K 4.6641 7.3328 111.9953 56.9667 34.0676 177.3210 33 H 4.9507 7.6781 114.1388 55.0712 31.4882 173.9769 34 K 4.5650 7.8802 119.0514 56.1590 33.5953 175.6292 35 Q 5.0948 8.3453 119.9287 54.5350 30.7978 175.7504 36 R 4.5686 8.7297 122.2849 57.3796 31.8141 176.0233 37 Q 4.5421 7.8113 113.1772 55.3143 30.5522 174.0473 38 G 3.7336 8.4073 107.1468 45.8767 0.0000 173.7475 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 4.57 0.00 1.92 2.10 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 2.50 2.58 0.00 2 K 8.88 4.06 0.00 1.82 1.72 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 3 V 8.26 4.28 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 0.93 0.00 0.00 4 R 7.95 3.91 0.00 1.84 1.82 0.00 3.18 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 1.71 1.66 0.00 5 A 8.56 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.24 4.61 0.00 3.94 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 8.35 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 8 K 7.65 3.54 0.00 1.86 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 9 K 8.32 4.75 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.41 7.81 10 L 8.32 4.56 0.00 1.62 1.71 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.54 4.54 0.00 2.94 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 12 R 8.41 4.42 0.00 1.92 2.04 0.00 2.99 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 13 N 7.98 4.78 0.00 2.70 2.86 0.00 0.00 6.84 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 8.15 5.23 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.67 0.00 1.80 1.89 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 16 I 8.27 4.38 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 1.35 0.62 0.91 0.00 0.00 17 V 7.89 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 0.83 0.00 0.00 0.93 0.00 0.00 18 K 8.31 4.83 0.00 2.01 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.46 7.81 19 R 8.22 4.47 0.00 1.86 1.83 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 20 D 8.61 4.23 0.00 2.81 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 0.00 0.00 0.00 0.00 21 G 8.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.43 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 0.76 0.00 0.00 0.97 0.00 0.00 23 I 8.42 4.28 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 0.82 0.96 0.00 0.00 24 R 8.05 4.74 0.00 1.91 1.84 0.00 3.24 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 1.57 1.70 0.00 25 V 7.85 4.77 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.98 0.00 0.00 26 I 8.44 4.54 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 1.23 0.91 0.00 0.00 27 C 8.36 5.01 0.00 2.95 2.76 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 28 S 8.86 4.37 0.00 3.91 3.91 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 29 A 7.32 4.75 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.04 0.00 2.05 1.75 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 2.29 2.32 0.00 31 P 0.00 4.80 0.00 2.20 2.06 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 32 K 7.33 4.66 0.00 1.56 1.72 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.55 7.81 33 H 7.68 4.95 0.00 3.24 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.88 4.57 0.00 1.72 1.81 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.48 7.81 35 Q 8.35 5.09 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 36 R 8.73 4.57 0.00 1.86 1.92 0.00 3.29 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 37 Q 7.81 4.54 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 38 G 8.41 3.73 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 0.00 0.00 0.00