NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4033 8.1133 119.0804 55.2245 31.4900 176.2923 2 P 4.2479 0.0000 0.0000 65.1019 31.3700 175.9387 3 E 4.0911 8.9946 118.3705 59.2889 29.7694 179.0490 4 I 3.7880 7.7562 119.6040 63.9163 37.3595 177.8634 5 W 4.1395 8.2365 128.7836 60.4594 30.4368 177.8189 6 A 3.9645 8.2978 120.3189 55.1854 17.8336 179.3518 7 A 3.8960 7.8788 119.1279 55.5090 18.4393 179.7102 8 Q 3.8365 8.2295 118.1400 58.9383 28.9569 178.0395 9 E 3.5978 7.8449 120.4474 59.1682 29.6975 178.8483 10 I 3.6275 7.8730 120.1534 64.4326 37.2311 178.3258 11 R 3.9037 8.2616 119.9171 59.3504 29.9142 178.5994 12 R 3.7989 7.7799 118.4056 59.5932 30.1555 178.6688 13 I 4.0017 8.0812 120.1240 64.1119 36.9928 178.6845 14 G 3.6203 8.6776 107.0339 48.0553 0.0000 175.5819 15 D 4.4454 8.0925 121.5070 56.6636 40.7517 178.4418 16 E 3.9370 8.0739 119.5472 59.5201 29.7028 178.7285 17 N 4.5643 8.3595 116.4910 56.2715 38.6168 176.9721 18 N 4.3645 8.7349 118.6983 56.7185 38.8878 176.7461 19 A 4.0354 8.0802 121.0615 55.2658 18.5265 178.7220 20 Y 4.0378 7.8763 116.9259 61.2071 38.7886 177.6103 21 Y 4.0162 8.3521 116.8768 60.0667 37.8905 177.0250 22 A 4.2938 8.0005 119.7158 53.0118 18.5091 177.2598 23 R 4.0524 7.3244 122.5108 56.1761 30.3256 175.1081 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 8.11 4.40 0.00 1.75 1.88 0.00 3.22 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 2 P 0.00 4.25 0.00 2.26 2.14 0.00 3.58 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 2.11 2.21 0.00 3 E 8.99 4.09 0.00 2.04 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 0.00 2.43 2.43 0.00 4 I 7.76 3.79 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.95 0.00 0.00 5 W 8.24 4.14 0.00 3.50 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.90 1.40 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 0.00 0.00 0.00 8 Q 8.23 3.84 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 9 E 7.84 3.60 0.00 1.72 1.85 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 2.18 2.26 0.00 10 I 7.87 3.63 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.89 0.00 0.00 11 R 8.26 3.90 0.00 1.91 2.04 0.00 3.06 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 12 R 7.78 3.80 0.00 2.03 2.04 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 13 I 8.08 4.00 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.90 0.00 0.00 14 G 8.68 3.62 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 0.00 0.00 0.00 15 D 8.09 4.45 0.00 2.73 2.73 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 16 E 8.07 3.94 0.00 2.07 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 0.00 2.32 2.35 0.00 17 N 8.36 4.56 0.00 3.07 2.99 0.00 0.00 6.73 6.51 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 18 N 8.73 4.36 0.00 2.96 2.85 0.00 0.00 7.10 7.45 0.00 0.00 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 A 8.08 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.04 0.00 2.97 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 4.02 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.29 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.32 4.05 0.00 1.68 1.73 0.00 3.20 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00