NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4678 8.3193 116.7978 58.7666 64.5809 172.8538 2 T 4.4560 8.1839 110.5735 61.6666 68.3003 173.4876 3 I 4.3594 7.5231 122.1389 63.5193 40.9795 176.9313 4 E 3.8328 7.9935 117.9555 59.5362 29.7205 178.3394 5 E 3.8993 8.2619 117.5231 58.7293 29.3337 178.4186 6 R 4.3056 7.5101 117.7786 57.6548 30.7590 178.4121 7 V 3.5572 7.7665 118.4106 66.2149 31.3900 177.8713 8 K 3.7884 8.1531 117.3679 59.5821 31.9005 178.6423 9 K 3.9091 7.9746 118.7839 59.6523 32.1033 178.2141 10 I 3.6433 7.9439 120.3365 64.9773 36.9805 178.4522 11 I 3.2091 8.0813 120.3196 63.8225 36.8133 178.5650 12 G 3.6824 8.7205 106.8107 46.4973 0.0000 174.3663 13 Q 4.3514 8.3643 118.3686 57.9651 30.3222 177.3103 14 Q 3.8864 8.6967 118.1886 59.9261 28.9261 179.6137 15 L 4.5246 6.9497 121.2500 54.7215 42.8145 176.2367 16 G 3.7614 9.7017 107.8806 45.6893 0.0000 172.6580 17 V 4.3262 8.0778 116.6220 60.8334 35.7199 174.0405 18 K 4.3846 8.4220 120.8533 56.4167 33.7259 177.1148 19 Q 4.7126 8.0628 116.9059 54.6117 28.2482 174.0098 20 E 4.9142 7.5775 119.1807 58.6239 37.4300 177.9563 21 E 4.1633 8.1442 115.5251 57.7133 29.7496 177.1003 22 V 4.0697 7.3462 119.3325 62.8391 32.3736 174.8500 23 T 4.9883 8.5212 120.1335 61.0259 70.0512 173.9721 24 N 5.0764 8.3611 116.9516 52.7388 38.5070 174.0481 25 N 4.5297 7.7674 109.0563 53.8994 41.8270 174.3234 26 A 4.6291 7.1690 122.6647 50.9091 22.7190 177.3647 27 S 5.2215 8.8837 121.6749 59.1546 60.9378 175.1489 28 F 3.7217 8.4921 124.2986 60.6380 39.7256 178.4254 29 V 3.3215 7.4664 107.4792 66.2794 31.5641 178.3981 30 E 3.7870 8.8317 124.7460 60.0276 30.2940 177.3159 31 D 4.2953 7.8681 116.5149 57.4550 41.5716 177.6723 32 L 3.8511 7.3189 119.8011 53.7101 41.5521 177.6050 33 G 5.3959 6.4414 127.0700 45.7877 0.0000 171.8815 34 A 4.6889 7.8835 129.1256 49.9039 19.0830 175.0749 35 D 5.0426 8.0227 120.7099 53.0452 42.5886 176.1713 36 S 4.8616 8.2403 112.4275 58.9814 70.0800 176.6120 37 L 5.1370 7.6439 119.2654 54.1905 40.6626 176.8248 38 D 4.4897 7.6128 118.5158 57.4748 40.8919 176.5317 39 T 3.8253 8.1131 111.8735 65.4291 68.2599 176.1296 40 V 3.0959 7.6418 118.2131 65.8779 31.4829 176.4656 41 E 4.3694 7.9926 116.5022 57.8551 30.3605 177.5138 42 L 3.8454 8.1675 120.5262 58.8724 42.0639 178.8465 43 V 3.7607 8.6073 118.3782 66.5692 30.9850 177.4167 44 M 4.0499 8.0921 116.9246 59.2775 32.0271 178.0836 45 A 4.2726 8.2759 120.4732 55.1506 18.2560 179.2496 46 L 4.2481 8.9810 119.6967 57.5144 42.0747 179.9087 47 E 4.1803 8.8110 119.3480 59.5150 29.4132 178.9081 48 E 3.9678 8.9611 118.0459 59.3642 29.5536 178.7410 49 E 4.0939 8.5227 118.8952 59.6837 29.6747 176.1879 50 F 4.5385 7.8458 117.1607 55.1542 47.9934 173.5997 51 D 5.5054 7.7830 135.0000 55.7193 42.8987 176.5482 52 T 4.1934 8.4842 114.8769 61.1698 69.3567 173.3059 53 E 4.4890 8.4880 127.9554 54.7218 26.9649 174.8454 54 I 3.6027 7.8872 122.4281 61.4159 38.3327 173.9267 55 P 4.4749 0.0000 0.0000 62.3350 33.3507 176.3830 56 D 4.2730 8.7487 120.4574 57.9965 40.5502 178.8525 57 E 3.8594 8.1888 117.7582 59.1680 29.8822 177.8814 58 E 4.2918 7.8187 115.9473 57.0579 30.3122 177.8744 59 A 3.9337 8.3359 121.9596 54.5990 18.2292 178.6545 60 E 4.0067 8.3313 117.0335 57.7388 29.7913 176.9951 61 K 4.3011 7.5820 117.8237 57.1355 32.9874 176.5015 62 I 4.3787 7.3635 111.1694 61.1506 37.3477 176.7744 63 T 4.0060 7.7276 114.4797 65.2406 69.3820 172.9950 64 T 5.8129 7.4749 116.5282 61.0588 69.0512 174.8622 65 V 4.0382 8.2680 114.9459 64.2689 33.8086 177.6562 66 Q 3.9522 8.4038 119.6273 59.5255 28.7414 178.1513 67 A 3.7554 8.2151 120.6792 55.4827 17.7475 179.2623 68 A 4.1931 8.1259 118.6150 54.7121 18.2420 179.6781 69 I 3.8416 8.5857 120.0027 64.1804 37.6323 177.7564 70 D 4.3289 8.0903 118.0525 57.0110 40.6953 177.6863 71 Y 4.2176 7.8290 119.4152 60.8805 38.8358 177.1441 72 I 3.2121 7.2238 119.1827 63.2853 37.2582 177.6514 73 N 4.2459 8.3075 117.7263 54.9940 38.7267 177.1459 74 G 3.7822 7.8844 105.5500 46.5333 0.0000 174.5552 75 H 4.5477 7.3855 118.9108 57.3691 31.6404 175.6432 76 Q 4.4062 7.0549 119.7064 53.5615 28.1743 175.6249 77 A 4.2872 7.8715 123.3829 51.9494 19.3029 176.9785 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 S 8.32 4.47 0.00 3.91 3.95 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 2 T 8.18 4.46 4.25 0.00 0.00 0.00 0.00 0.00 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 3 I 7.52 4.36 1.97 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 2.03 1.71 0.90 0.00 0.00 4 E 7.99 3.83 0.00 2.24 2.18 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 2.37 2.37 0.00 5 E 8.26 3.90 0.00 2.15 2.18 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 2.51 2.45 0.00 6 R 7.51 4.31 0.00 1.91 2.06 0.00 3.15 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 7 V 7.77 3.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 8 K 8.15 3.79 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.69 7.81 9 K 7.97 3.91 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 10 I 7.94 3.64 2.02 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 1.52 0.85 0.89 0.00 0.00 11 I 8.08 3.21 1.38 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 -0.48 0.00 0.00 12 G 8.72 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 0.00 0.00 0.00 13 Q 8.36 4.35 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 14 Q 8.70 3.89 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 15 L 6.95 4.52 0.00 2.03 1.93 0.94 0.99 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 16 G 9.70 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.08 4.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.21 0.00 0.00 18 K 8.42 4.38 0.00 1.73 1.77 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.49 7.81 19 Q 8.06 4.71 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 20 E 7.58 4.91 0.00 2.02 1.96 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 2.32 2.33 0.00 21 E 8.14 4.16 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 22 V 7.35 4.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.25 0.00 0.00 23 T 8.52 4.99 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 24 N 8.36 5.08 0.00 2.81 2.89 0.00 0.00 5.68 8.06 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 25 N 7.77 4.53 0.00 2.68 2.74 0.00 0.00 6.76 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.17 4.63 1.26 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 0.00 0.00 27 S 8.88 5.22 0.00 3.92 3.88 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 F 8.49 3.72 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.32 2.11 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 0.68 0.00 0.00 1.04 0.00 0.00 30 E 8.83 3.79 0.00 1.93 1.98 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 2.29 2.24 0.00 31 D 7.87 4.30 0.00 2.68 2.68 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 32 L 7.32 3.85 0.00 1.53 1.35 -0.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 G 6.44 5.40 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 0.00 34 A 7.88 4.69 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.02 5.04 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.24 4.86 0.00 3.86 3.83 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 0.00 0.00 0.00 37 L 7.64 5.14 0.00 1.94 1.96 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.61 4.49 0.00 2.82 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.11 3.83 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 40 V 7.64 3.10 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 1.02 0.00 0.00 0.93 0.00 0.00 41 E 7.99 4.37 0.00 2.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 42 L 8.17 3.85 0.00 1.65 1.84 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.61 3.76 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 44 M 8.09 4.05 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.65 0.00 45 A 8.28 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.98 4.25 0.00 1.70 1.84 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.81 4.18 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 48 E 8.96 3.97 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 49 E 8.52 4.09 0.00 1.93 2.27 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 2.53 2.53 0.00 50 F 7.85 4.54 0.00 2.97 2.74 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 51 D 7.78 5.51 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.48 4.19 4.15 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 1.18 0.00 0.00 53 E 8.49 4.49 0.00 2.13 2.16 0.00 0.00 0.00 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 2.23 0.00 54 I 7.89 3.60 2.04 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.96 0.00 0.00 55 P 0.00 4.47 0.00 2.28 2.14 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 56 D 8.75 4.27 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.19 3.86 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 58 E 7.82 4.29 0.00 1.90 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 59 A 8.34 3.93 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 60 E 8.33 4.01 0.00 2.04 1.95 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 2.31 2.23 0.00 61 K 7.58 4.30 0.00 1.74 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 62 I 7.36 4.38 1.82 0.00 0.00 0.77 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 0.74 0.70 0.00 0.00 63 T 7.73 4.01 4.27 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 1.21 0.00 0.00 64 T 7.47 5.81 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 65 V 8.27 4.04 2.09 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 0.75 0.00 0.00 0.62 0.00 0.00 66 Q 8.40 3.95 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 67 A 8.22 3.76 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 68 A 8.13 4.19 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 69 I 8.59 3.84 2.05 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 0.59 0.91 0.00 0.00 70 D 8.09 4.33 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.83 4.22 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 72 I 7.22 3.21 1.66 0.00 0.00 0.59 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 0.90 0.50 0.00 0.00 73 N 8.31 4.25 0.00 2.85 2.79 0.00 0.00 6.80 8.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.39 4.55 0.00 3.09 3.14 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.05 4.41 0.00 1.68 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 77 A 7.87 4.29 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00