NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1290 8.0244 114.2707 60.7290 38.9224 173.6215 2 V 4.4365 8.0377 118.5486 61.4603 34.6700 173.8436 3 C 4.7307 8.9868 121.9110 58.4537 33.4284 172.5770 4 H 5.6199 8.7213 118.4364 54.9581 30.6384 174.3274 5 T 4.9680 8.4859 111.9730 60.5580 70.1354 174.3066 6 T 4.4754 8.1228 116.5549 62.7564 70.0190 176.5429 7 A 4.5641 8.5356 124.1408 54.6362 20.5012 178.2942 8 T 4.1146 8.2947 104.9847 62.7322 67.5963 178.3284 9 S 4.4676 5.8100 118.2445 57.5734 64.0043 171.5930 10 P 4.2557 0.0000 0.0000 64.8975 31.3643 176.7810 11 I 5.4112 7.2247 134.4404 60.6785 40.0049 172.7149 12 S 4.6563 7.6737 120.9482 56.6558 66.5284 173.6511 13 A 4.3958 8.8223 124.9151 51.8564 18.0942 176.6385 14 V 4.4313 8.2070 114.1532 60.2064 34.5308 176.4728 15 T 3.8123 8.7696 121.5913 64.6070 68.8198 173.3342 16 C 4.5973 8.2390 122.3858 57.2928 30.2784 171.0806 17 P 4.5554 0.0000 0.0000 61.3675 32.3246 172.9834 18 P 4.5782 0.0000 0.0000 62.6055 31.7389 175.6701 19 G 4.3366 8.7150 120.6717 46.3731 0.0000 171.9809 20 E 4.2134 7.1852 124.5562 56.2941 28.6901 176.9708 21 N 4.8165 8.5953 120.9112 52.6813 39.0433 175.1300 22 L 4.3785 6.9580 116.8520 56.4813 45.3164 171.6965 23 C 5.4974 8.4503 118.3451 59.9996 31.6317 172.1438 24 Y 4.7778 7.9697 115.7982 57.3200 41.5863 173.9498 25 R 4.2908 8.2930 117.5605 54.4412 33.3898 175.0168 26 K 4.5888 8.3509 123.5355 56.2648 33.9172 176.0099 27 M 4.2690 7.3504 120.1535 55.4753 36.4269 173.4768 28 W 4.6692 8.0447 124.6781 56.2715 34.1338 175.7741 29 C 4.7735 10.1219 106.8722 58.6616 31.9948 173.1326 30 D 4.5892 8.6564 124.4877 54.1984 41.0165 176.5372 31 A 4.3161 8.7585 121.7578 53.4938 18.2776 177.8431 32 F 4.4427 8.2710 112.7209 56.6388 41.5740 175.0782 33 C 4.2252 7.9370 119.9166 60.4609 29.9015 171.4368 34 S 4.5209 7.4489 119.4839 58.2742 63.8068 175.7524 35 S 4.4064 8.4398 115.9651 60.5708 62.4369 175.7015 36 R 4.1968 7.8278 118.3147 56.7450 30.8930 177.2193 37 G 4.0421 7.5097 107.5474 45.7792 0.0000 176.2289 38 K 4.7767 8.3386 126.0271 54.1775 34.4484 173.7906 39 V 4.5438 7.7996 119.5701 62.7653 33.6612 176.5702 40 V 4.3868 7.6706 112.1866 62.5345 32.5073 175.0638 41 E 4.3054 7.9975 128.4533 54.3108 28.3074 175.7743 42 L 4.0278 7.5142 121.8492 53.7538 43.9455 177.1108 43 G 4.4294 6.6953 105.6161 46.5724 0.0000 171.3779 44 C 5.3044 8.1882 120.4856 58.3431 30.9402 172.9398 45 A 4.2969 8.6084 121.0282 51.3581 22.1794 176.5596 46 A 4.3215 9.1490 125.0897 54.4483 18.4718 177.9196 47 T 4.4249 7.6060 101.4073 60.5042 71.1302 171.8313 48 C 4.0431 8.8407 120.7324 58.8620 27.3205 173.0541 49 P 4.5344 0.0000 0.0000 63.6127 31.3427 176.3360 50 S 4.0432 7.0099 112.0029 57.1368 64.8135 171.7978 51 K 4.5008 8.3718 126.5252 56.2975 30.2696 176.5898 52 K 4.8369 8.7331 124.1385 58.0329 40.3500 174.4726 53 P 4.4688 0.0000 0.0000 63.9117 29.7452 176.8936 54 Y 4.3274 8.9124 115.9740 59.9401 39.4562 173.6688 55 E 4.4178 6.8646 124.1575 55.3862 29.3410 175.8402 56 E 4.6623 9.9606 122.8562 55.0117 29.4520 175.5088 57 V 4.8309 7.8042 124.2708 61.1419 33.3929 175.0938 58 T 4.7728 8.0699 120.5148 62.9719 72.6616 171.8780 59 C 4.9596 8.3790 120.3481 58.4620 32.7178 173.5100 60 C 5.1968 7.9600 117.6471 56.8567 45.3952 173.5149 61 S 4.0551 8.7913 122.4585 59.4583 64.3967 174.8105 62 T 3.8551 7.8374 109.5041 61.2638 68.5781 173.1788 63 D 4.2685 8.4453 121.4722 55.1694 40.4375 176.8553 64 K 3.6960 8.3638 126.5974 57.6395 28.8381 175.0842 65 C 4.8180 7.9702 106.6556 55.7526 42.4911 174.0525 66 N 4.7933 8.0459 114.9647 53.3503 38.9461 174.6161 67 P 4.5750 0.0000 0.0000 61.5267 29.4701 175.1428 68 H 3.9387 8.0005 118.7633 54.9310 29.6253 174.3050 69 P 4.4241 0.0000 0.0000 63.2511 30.5601 174.3520 70 K 4.5530 8.2604 123.0467 57.6429 40.0157 175.8324 71 Q 4.2089 7.7522 119.1331 55.1018 27.0394 174.7765 72 R 4.3186 7.4047 116.4270 54.3246 33.3097 172.3804 73 P 4.3774 0.0000 0.0000 63.0298 31.5946 176.4566 74 G 3.7500 8.4263 111.6154 46.2840 0.0000 172.3538 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 I 8.02 4.13 1.86 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 1.30 1.12 0.95 0.00 0.00 2 V 8.04 4.44 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 0.95 0.00 0.00 0.92 0.00 0.00 3 C 8.99 4.73 0.00 2.74 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 4 H 8.72 5.62 0.00 3.04 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.49 4.97 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 1.30 0.00 0.00 6 T 8.12 4.48 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 1.18 0.00 0.00 7 A 8.54 4.56 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.11 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 9 S 5.81 4.47 0.00 4.03 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 10 P 0.00 4.26 0.00 2.18 2.17 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 11 I 7.22 5.41 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.46 0.87 0.00 0.00 12 S 7.67 4.66 0.00 3.86 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 13 A 8.82 4.40 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.43 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 0.80 0.00 0.00 0.95 0.00 0.00 15 T 8.77 3.81 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 1.28 0.00 0.00 16 C 8.24 4.60 0.00 2.98 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 17 P 0.00 4.56 0.00 2.23 2.23 0.00 3.96 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 18 P 0.00 4.58 0.00 2.20 2.12 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 19 G 8.71 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.19 4.21 0.00 2.19 2.26 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 2.47 2.32 0.00 21 N 8.60 4.82 0.00 2.84 2.84 0.00 0.00 6.97 7.87 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 22 L 6.96 4.38 0.00 1.91 1.77 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.45 5.50 0.00 2.81 3.01 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 0.00 0.00 0.00 24 Y 7.97 4.78 0.00 3.18 2.99 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 0.00 0.00 0.00 25 R 8.29 4.29 0.00 1.66 1.73 0.00 3.24 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 26 K 8.35 4.59 0.00 2.05 0.74 0.00 2.19 0.00 0.00 2.27 0.00 0.00 2.62 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.52 7.81 27 M 7.35 4.27 0.00 1.74 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 28 W 8.04 4.67 0.00 3.47 3.22 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 0.00 29 C 10.12 4.77 0.00 3.05 2.93 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 0.00 0.00 0.00 30 D 8.66 4.59 0.00 2.83 2.76 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 31 A 8.76 4.32 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.44 0.00 2.90 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.94 4.23 0.00 3.08 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 34 S 7.45 4.52 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.41 0.00 3.88 3.93 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 0.00 0.00 0.00 36 R 7.83 4.20 0.00 1.82 1.98 0.00 3.40 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 37 G 7.51 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.34 4.78 0.00 1.73 2.08 0.00 2.01 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.33 7.81 39 V 7.80 4.54 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 0.86 0.00 0.00 1.21 0.00 0.00 40 V 7.67 4.39 1.56 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 0.63 0.00 0.00 0.92 0.00 0.00 41 E 8.00 4.31 0.00 2.17 2.14 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 2.42 2.48 0.00 42 L 7.51 4.03 0.00 1.65 1.70 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.70 4.43 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 0.00 44 C 8.19 5.30 0.00 3.21 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 45 A 8.61 4.30 1.03 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 0.00 0.00 0.00 0.00 0.00 46 A 9.15 4.32 1.28 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 0.00 0.00 0.00 47 T 7.61 4.42 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 48 C 8.84 4.04 0.00 3.01 2.99 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 0.00 0.00 0.00 49 P 0.00 4.53 0.00 2.06 2.02 0.00 3.95 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 50 S 7.01 4.04 0.00 3.90 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 51 K 8.37 4.50 0.00 1.79 0.82 0.00 1.80 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.81 7.81 52 K 8.73 4.84 0.00 1.61 1.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.44 7.81 53 P 0.00 4.47 0.00 2.23 1.66 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.78 0.00 54 Y 8.91 4.33 0.00 3.29 3.28 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 0.00 55 E 6.86 4.42 0.00 1.77 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 2.78 2.37 0.00 56 E 9.96 4.66 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 57 V 7.80 4.83 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 1.06 0.00 0.00 1.00 0.00 0.00 58 T 8.07 4.77 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 59 C 8.38 4.96 0.00 2.91 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 60 C 7.96 5.20 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.79 4.06 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.84 3.86 4.23 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 1.21 0.00 0.00 63 D 8.45 4.27 0.00 2.69 2.70 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 64 K 8.36 3.70 0.00 1.95 2.04 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.41 7.81 65 C 7.97 4.82 0.00 3.06 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 66 N 8.05 4.79 0.00 2.56 2.86 0.00 0.00 7.07 7.99 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 67 P 0.00 4.57 0.00 2.14 2.03 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 68 H 8.00 3.94 0.00 3.23 3.31 0.00 5.54 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.18 2.13 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 70 K 8.26 4.55 0.00 1.60 1.79 0.00 0.89 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.28 1.45 7.81 71 Q 7.75 4.21 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 72 R 7.40 4.32 0.00 1.69 1.81 0.00 3.22 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 1.45 1.55 0.00 73 P 0.00 4.38 0.00 2.21 2.05 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 74 G 8.43 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00