NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.4558 8.2431 119.7103 56.3461 30.9714 174.2221 1 G 3.7023 7.9978 113.1518 43.9180 0.0000 173.5850 2 I 3.8585 8.4782 120.7114 62.6046 39.0643 176.4068 3 V 3.6268 7.5162 118.6113 65.7472 31.0892 177.7367 4 E 4.0303 8.1264 119.3840 58.0930 29.1654 178.1523 5 Q 4.0379 7.4560 117.5316 56.9621 29.7606 175.3566 6 C 4.7572 7.9230 115.0567 57.3711 42.3713 174.5387 7 C 4.3199 7.7498 119.3144 61.6758 31.9269 174.8963 8 T 4.0501 7.8750 109.3970 63.9084 69.0290 173.8846 9 S 5.0527 7.2311 117.6804 56.3784 65.3148 172.6640 10 I 4.6519 8.1685 113.7169 59.8242 39.8580 173.4723 11 C 5.2404 8.5432 116.9620 53.6885 43.2996 173.9094 12 S 4.6344 7.9878 114.8740 56.8280 65.0395 174.1751 13 L 3.9294 7.7252 119.9425 58.0714 41.9673 178.7829 14 Y 4.4288 6.9483 114.1249 59.2927 38.2662 177.0063 15 Q 4.2555 7.5432 116.4156 58.2462 28.8240 178.1447 16 L 4.1001 7.6476 119.1639 57.6448 41.5745 179.0207 17 E 4.1592 7.8715 118.2057 58.9054 29.0976 178.9203 18 N 4.3298 7.5538 115.7963 55.6580 38.7849 175.3112 19 Y 4.4423 7.8543 116.4223 58.2332 38.5827 175.3762 20 C 4.5496 7.5671 118.2867 59.2365 29.0277 173.4866 21 N 4.5460 8.5917 118.3015 53.7680 38.1711 175.2805 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 0 R 8.24 4.46 0.00 1.84 1.97 0.00 3.40 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 1 G 8.00 3.70 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 0.00 0.00 0.00 2 I 8.48 3.86 0.78 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.20 0.72 0.00 0.00 3 V 7.52 3.63 2.05 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.13 4.03 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 5 Q 7.46 4.04 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 6 C 7.92 4.76 0.00 3.12 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 7.75 4.32 0.00 2.84 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.05 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 1.21 0.00 0.00 9 S 7.23 5.05 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.17 4.65 1.87 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 0.68 0.91 0.00 0.00 11 C 8.54 5.24 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 12 S 7.99 4.63 0.00 3.87 4.05 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 13 L 7.73 3.93 0.00 1.44 0.89 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.95 4.43 0.00 3.04 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 Q 7.54 4.26 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 7.65 4.10 0.00 1.93 1.76 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.87 4.16 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 18 N 7.55 4.33 0.00 2.27 2.54 0.00 0.00 6.96 7.34 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 19 Y 7.85 4.44 0.00 3.05 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 7.57 4.55 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.55 0.00 2.73 2.74 0.00 0.00 6.81 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