NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2585 8.2544 117.2811 55.4891 30.7588 174.6539 2 D 4.3560 8.3818 118.4563 52.1723 42.1228 173.9352 3 P 4.4940 0.0000 0.0000 65.4987 32.6552 178.4347 4 C 4.5146 8.0638 115.3923 58.6386 40.3244 176.1941 5 C 3.9768 8.0250 116.8601 59.4767 40.2009 174.9642 6 S 3.9876 8.0013 113.7412 60.2433 62.5239 173.6505 7 N 4.8803 7.5922 118.6462 51.0258 39.4512 173.9156 8 P 4.5180 0.0000 0.0000 64.2760 31.4389 178.4131 9 V 3.7573 7.5358 118.8728 66.3335 31.8636 178.1279 10 C 4.2871 8.1059 117.6989 59.7175 43.3154 174.8629 11 T 3.7488 7.5463 113.6794 65.4012 66.7970 175.5599 12 V 3.7427 7.2473 118.2786 66.3004 31.7840 176.9569 13 H 4.5209 8.0470 113.5608 56.4077 31.5748 174.5458 14 N 5.0339 7.8963 116.6765 52.0268 38.5441 172.5718 15 P 4.7645 0.0000 0.0000 62.6760 32.1972 177.5246 16 Q 4.3837 8.0258 118.6151 57.0914 29.7782 176.1615 17 I 4.2687 7.7185 110.0489 61.1039 39.5846 176.0216 18 C 4.4502 7.6943 121.0722 56.8979 41.1757 173.2361 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 R 8.25 4.26 0.00 1.92 2.01 0.00 3.06 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 2 D 8.38 4.36 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.49 0.00 2.25 2.27 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 4 C 8.06 4.51 0.00 3.02 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.02 3.98 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.99 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.59 4.88 0.00 2.70 2.71 0.00 0.00 6.64 7.92 0.00 0.00 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 P 0.00 4.52 0.00 2.22 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 9 V 7.54 3.76 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 0.98 0.00 0.00 0.93 0.00 0.00 10 C 8.11 4.29 0.00 3.03 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.55 3.75 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 12 V 7.25 3.74 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 0.82 0.00 0.00 1.05 0.00 0.00 13 H 8.05 4.52 0.00 3.16 3.31 0.00 5.92 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.90 5.03 0.00 2.99 2.69 0.00 0.00 6.71 8.03 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 15 P 0.00 4.76 0.00 2.16 2.11 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 16 Q 8.03 4.38 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 17 I 7.72 4.27 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 1.66 0.58 0.97 0.00 0.00 18 C 7.69 4.45 0.00 3.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00