NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9998 8.2127 109.7442 45.0354 0.0000 174.1952 2 I 3.0707 7.8123 117.7885 62.8821 37.4160 172.5176 3 V 3.5331 7.4255 119.4354 65.6825 31.6530 177.2345 4 E 3.9588 7.9796 116.1235 59.4584 29.6217 178.4044 5 Q 4.1593 8.0492 119.6011 57.9919 29.3423 176.2061 6 C 5.0591 8.2561 115.6324 56.1149 41.4320 174.5462 7 C 4.3039 8.1656 117.7464 60.1407 28.8232 174.8063 8 T 4.3546 7.7534 109.5754 61.5355 69.3969 174.3492 9 S 4.6268 7.0913 115.1582 56.3462 65.6912 172.5606 10 I 4.1385 8.2433 126.9474 61.2937 37.4379 176.3186 11 C 4.8447 8.6215 123.4847 55.8104 42.2475 174.4235 12 S 4.4847 9.1742 120.2258 58.0008 64.8464 175.4846 13 L 4.0162 8.4448 121.5847 58.0522 41.0444 179.1618 14 Y 4.1523 8.0190 118.4886 60.7884 39.1096 177.5743 15 Q 4.0677 8.3172 119.1493 58.7809 28.8396 178.5533 16 L 4.2535 8.2124 120.2513 57.6191 41.7470 178.9965 17 E 4.1014 8.1020 117.8724 58.4867 29.0669 178.6809 18 N 4.1817 7.6578 116.1269 55.2218 38.4317 175.1450 19 Y 4.5538 7.3318 116.1928 57.7480 38.2560 175.6074 20 C 4.4791 7.5800 117.9716 59.1448 29.0959 173.6106 21 N 4.5296 8.5209 117.5643 53.7857 38.2033 175.4214 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 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 2 I 7.81 3.07 0.56 0.00 0.00 0.49 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 0.95 0.61 0.00 0.00 3 V 7.43 3.53 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 1.00 0.00 0.00 0.86 0.00 0.00 4 E 7.98 3.96 0.00 2.16 2.07 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 2.53 2.33 0.00 5 Q 8.05 4.16 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 6 C 8.26 5.06 0.00 3.00 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 7 C 8.17 4.30 0.00 3.05 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 8 T 7.75 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 9 S 7.09 4.63 0.00 3.82 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.14 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 1.42 0.66 0.93 0.00 0.00 11 C 8.62 4.84 0.00 2.99 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 12 S 9.17 4.48 0.00 4.10 4.07 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 13 L 8.44 4.02 0.00 1.74 1.82 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.02 4.15 0.00 2.92 3.09 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 15 Q 8.32 4.07 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 16 L 8.21 4.25 0.00 1.90 1.78 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.10 4.10 0.00 2.02 1.83 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 2.31 2.54 0.00 18 N 7.66 4.18 0.00 2.24 2.21 0.00 0.00 6.87 7.51 0.00 0.00 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 7.33 4.55 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.48 0.00 3.03 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 21 N 8.52 4.53 0.00 2.71 2.73 0.00 0.00 6.79 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