NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5181 8.3044 120.2782 54.6889 33.9397 174.3347 2 K 4.0130 8.6044 122.0193 55.7173 33.3656 170.3614 3 V 4.6901 9.0183 127.3060 61.3631 34.4793 174.0060 4 R 4.5860 8.4048 124.7442 55.6432 34.4276 175.3172 5 A 4.1559 8.7261 122.2268 54.9548 18.7153 177.9948 6 S 4.7384 7.5467 109.3345 57.5686 66.8688 175.2246 7 V 4.2784 8.4610 119.0196 61.8992 33.7523 175.6211 8 K 3.7082 7.8721 119.9980 56.7726 30.3942 174.9165 9 K 4.4215 8.3732 119.5730 57.3339 33.8284 176.4567 10 L 4.6276 8.0786 116.7233 55.0072 44.1561 175.7913 11 C 4.6055 7.5923 110.4609 57.7935 31.5850 173.5042 12 R 4.4295 8.5300 115.6489 56.8353 29.5859 175.9490 13 N 5.1177 7.8810 116.3836 53.6188 39.8818 173.7113 14 C 5.0566 8.1849 116.1433 58.3620 30.3898 174.2535 15 K 4.0944 8.6727 123.9696 56.3572 33.1760 173.7796 16 I 3.2010 7.9812 125.7500 60.9926 33.9008 172.4572 17 V 4.3081 8.1442 118.3558 59.0268 33.5503 175.4168 18 K 4.6815 8.5623 124.9400 54.6566 33.1689 175.3972 19 R 4.4825 7.6880 123.7072 55.1554 32.7215 176.5009 20 D 4.3093 8.7930 124.5472 54.5321 39.5956 173.7733 21 G 3.6991 8.6956 107.4111 49.3872 0.0000 174.8485 22 V 3.7482 7.6328 112.4488 61.2591 32.0833 175.1028 23 I 4.5703 8.0410 122.2662 59.8773 39.9097 175.6386 24 R 4.8830 8.6214 127.3179 54.5342 32.7438 175.7355 25 V 4.6073 8.3700 118.8729 61.8007 34.6061 174.5378 26 I 4.3165 8.4269 128.4411 60.8775 39.0407 174.3201 27 C 5.3996 8.2064 123.7036 56.9003 34.1384 173.9833 28 S 4.2459 9.0925 121.7810 62.2934 63.0493 174.9352 29 A 4.2566 8.1533 119.3809 52.3118 16.7905 179.8277 30 E 4.0511 9.2068 120.7055 56.3689 30.6809 176.3775 31 P 4.3160 0.0000 0.0000 65.0370 31.7654 178.4764 32 K 4.1489 8.0399 115.9526 59.1216 32.4495 177.0670 33 H 4.6662 7.5957 115.6049 56.4338 29.5006 175.3485 34 K 4.5655 7.6782 120.4347 55.6079 33.0976 176.1615 35 Q 5.0719 8.6423 122.9419 54.4871 31.9488 176.3752 36 R 4.0474 9.0215 123.1213 58.6047 31.6481 176.0012 37 Q 4.6538 8.1922 119.0108 53.1987 32.8733 174.7852 38 G 3.7379 7.8583 113.9576 46.5760 0.0000 172.0861 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 M 8.30 4.52 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 K 8.60 4.01 0.00 1.85 2.00 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 V 9.02 4.69 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 0.88 0.00 0.00 0.97 0.00 0.00 4 R 8.40 4.59 0.00 1.72 1.79 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 5 A 8.73 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.74 0.00 3.80 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 7 V 8.46 4.28 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 0.62 0.00 0.00 0.91 0.00 0.00 8 K 7.87 3.71 0.00 1.91 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.40 7.81 9 K 8.37 4.42 0.00 1.85 1.80 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.44 7.81 10 L 8.08 4.63 0.00 1.39 1.30 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.59 4.61 0.00 3.06 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 12 R 8.53 4.43 0.00 1.94 2.07 0.00 2.98 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 13 N 7.88 5.12 0.00 2.64 2.81 0.00 0.00 6.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.18 5.06 0.00 2.95 2.82 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 15 K 8.67 4.09 0.00 1.60 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.41 7.81 16 I 7.98 3.20 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 1.41 0.34 0.96 0.00 0.00 17 V 8.14 4.31 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 0.73 0.00 0.00 0.93 0.00 0.00 18 K 8.56 4.68 0.00 1.68 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.47 7.81 19 R 7.69 4.48 0.00 1.85 1.80 0.00 3.37 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 20 D 8.79 4.31 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 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 22 V 7.63 3.75 2.22 0.00 0.00 0.00 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 1.00 0.00 0.00 23 I 8.04 4.57 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 1.34 0.99 0.93 0.00 0.00 24 R 8.62 4.88 0.00 1.85 1.99 0.00 3.08 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.41 0.00 25 V 8.37 4.61 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 0.97 0.00 0.00 0.93 0.00 0.00 26 I 8.43 4.32 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 1.23 1.56 0.91 0.00 0.00 27 C 8.21 5.40 0.00 2.94 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 28 S 9.09 4.25 0.00 3.80 3.91 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 29 A 8.15 4.26 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.21 4.05 0.00 1.89 1.82 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 2.31 2.17 0.00 31 P 0.00 4.32 0.00 2.17 2.09 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 32 K 8.04 4.15 0.00 1.88 1.95 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.49 7.81 33 H 7.60 4.67 0.00 3.25 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.68 4.57 0.00 1.88 1.74 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 35 Q 8.64 5.07 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 36 R 9.02 4.05 0.00 1.88 1.90 0.00 3.04 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 37 Q 8.19 4.65 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 38 G 7.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00