NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9433 8.2127 109.7398 45.2930 0.0000 173.7692 2 I 2.7827 7.7011 117.4641 62.7674 37.5188 173.2112 3 V 3.4859 7.6558 119.0988 65.8662 31.8687 177.0519 4 E 3.9147 8.0203 118.6110 59.4460 29.3392 178.6352 5 Q 4.1012 8.0150 117.1796 58.2093 28.9034 176.8521 6 C 4.8612 8.1357 115.3194 57.2401 42.2697 174.3103 7 C 4.3508 7.8319 118.9512 61.5428 32.2604 174.6084 8 T 3.9489 8.2294 115.9808 66.1919 68.2116 174.4794 9 S 4.7976 7.4810 115.0791 56.8320 65.4297 172.6429 10 I 4.3872 8.1497 121.6654 60.1739 38.2402 174.4315 11 C 5.1546 8.5819 119.7295 53.7181 44.7694 173.8480 12 S 4.6634 9.4213 117.0551 56.9372 65.4964 174.9202 13 L 3.9404 8.4332 122.9248 58.6785 41.5542 178.2433 14 Y 4.0519 8.0574 118.6615 60.8491 38.5850 177.9122 15 Q 3.9330 7.9412 117.2952 58.8486 29.0892 178.2625 16 L 4.3370 8.2602 121.5206 58.3708 42.2084 178.8698 17 E 4.0414 8.4338 118.5710 59.1974 29.1085 178.3406 18 N 4.3499 7.4670 113.3674 54.2340 38.5083 174.9739 19 Y 4.4735 7.7225 117.8551 57.8694 38.8982 175.9857 20 C 4.2739 7.7108 118.1589 60.1030 28.9310 173.2371 21 N 4.4534 8.7345 119.2776 54.2974 39.5494 173.8777 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 G 8.21 3.94 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 0.00 0.00 0.00 2 I 7.70 2.78 0.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.66 0.00 0.00 3 V 7.66 3.49 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 0.94 0.00 0.00 0.86 0.00 0.00 4 E 8.02 3.91 0.00 2.07 1.93 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 2.39 2.40 0.00 5 Q 8.02 4.10 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 6 C 8.14 4.86 0.00 3.05 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.83 4.35 0.00 2.89 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.23 3.95 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 S 7.48 4.80 0.00 3.98 3.82 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 10 I 8.15 4.39 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 1.48 0.56 0.93 0.00 0.00 11 C 8.58 5.15 0.00 3.26 3.25 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 0.00 0.00 0.00 0.00 12 S 9.42 4.66 0.00 4.09 4.09 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 0.00 0.00 0.00 0.00 13 L 8.43 3.94 0.00 1.82 1.79 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.06 4.05 0.00 3.04 2.91 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 15 Q 7.94 3.93 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 16 L 8.26 4.34 0.00 1.94 1.87 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.43 4.04 0.00 2.14 1.91 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 2.32 2.51 0.00 18 N 7.47 4.35 0.00 2.34 2.41 0.00 0.00 6.92 8.80 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 19 Y 7.72 4.47 0.00 3.12 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 20 C 7.71 4.27 0.00 3.03 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 21 N 8.73 4.45 0.00 2.78 2.70 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00