NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4874 8.1627 118.3335 55.2281 33.4564 173.6526 2 Q 4.8493 8.3679 121.3664 53.6420 30.9642 172.8720 3 I 4.9887 9.3452 118.8977 59.3342 42.3144 173.4544 4 F 5.3181 8.5906 122.4479 56.1615 41.1781 174.9520 5 V 4.6469 8.7637 125.8006 61.2920 32.9626 174.1908 6 K 5.0999 8.7141 130.1796 54.8525 34.5944 175.2704 7 T 4.9339 8.3380 116.2804 59.8774 71.7741 174.8205 8 L 4.2671 8.6173 119.9643 56.2505 41.9064 177.8649 9 T 4.3652 7.7115 108.4888 61.1646 68.7855 174.8908 10 G 3.8143 7.9248 108.0384 46.4437 0.0000 173.3804 11 K 4.6006 7.9364 119.6212 54.3520 35.5051 174.5007 12 T 5.0423 8.4666 123.1489 61.8913 70.8043 173.4648 13 I 4.2988 8.9097 127.6988 60.2367 39.4878 174.8269 14 T 4.8557 8.1926 121.9512 62.1329 70.2851 173.7973 15 L 4.7634 8.8625 126.7306 53.3113 46.0346 174.6166 16 E 4.6799 8.6918 123.7334 54.4943 29.3944 175.2915 17 V 4.4615 8.1708 117.4608 59.2525 34.9972 174.3253 18 E 4.6770 8.3996 120.3591 54.1949 32.7330 175.2533 19 P 4.2162 0.0000 0.0000 65.5170 31.5464 177.4840 20 S 4.5411 7.9415 110.2407 57.9910 62.4191 172.6874 21 D 4.7121 8.4884 120.7524 53.2061 41.6252 176.6863 22 T 4.6331 8.2156 114.4073 61.4801 71.0386 175.5042 23 I 3.7240 8.3690 122.0974 64.1291 36.9443 178.5853 24 E 3.8580 8.1139 120.2580 59.5315 29.6094 178.4112 25 N 4.2940 8.2923 116.5639 56.4069 38.5083 177.6693 26 V 3.5691 7.5082 119.2040 65.9467 30.7226 177.9911 27 K 4.6072 8.7987 117.9676 57.2614 31.7732 178.4841 28 A 4.3813 7.7153 121.8758 54.2581 19.7211 179.4223 29 K 3.9502 8.0027 116.9482 59.8326 32.2321 179.6079 30 I 3.7443 7.9650 119.9777 64.1030 36.8734 178.3524 31 Q 4.2102 7.3683 122.1631 58.5983 28.8633 177.5283 32 D 4.4727 8.5303 117.9258 55.9252 40.8528 177.3913 33 K 4.3704 7.7509 118.7622 56.8834 33.4837 176.2688 34 E 4.4623 8.2011 115.9932 55.6610 31.8150 176.8957 35 G 4.0337 8.2009 105.8261 45.2512 0.0000 174.0188 36 I 3.7117 7.7318 121.3032 60.8176 37.5831 173.6512 37 P 4.4341 0.0000 0.0000 61.5543 32.2168 175.4866 38 P 4.2452 0.0000 0.0000 66.0419 31.5626 178.2746 39 D 4.3973 8.1427 116.4453 57.5183 40.9502 177.8257 40 Q 4.2516 8.1662 117.4231 57.9812 29.1590 175.5982 41 Q 4.4704 8.0175 118.8182 55.3656 30.2424 175.3576 42 R 4.6012 8.8152 122.9937 54.1390 32.6647 174.8327 43 L 4.7603 8.3243 124.1031 54.5519 43.6471 176.2692 44 I 4.9512 8.8826 122.2812 59.6575 41.1483 174.1671 45 F 5.0352 8.7330 128.6496 56.9447 42.6024 174.4426 46 A 3.5616 9.0595 127.2572 52.9036 16.0324 176.6246 47 G 3.8406 8.3691 103.5797 47.9359 0.0000 174.4782 48 K 4.5992 8.0480 117.8491 53.8827 35.8263 175.8787 49 Q 4.4523 8.7130 122.5532 55.8634 29.0773 176.1410 50 L 3.5895 7.8529 124.3107 54.3517 42.5155 176.6405 51 E 4.2635 8.6787 124.6542 55.6926 30.5201 177.2620 52 D 4.4662 9.2329 126.8885 57.0041 41.4137 178.9897 53 G 3.6548 7.8471 106.9149 47.6423 0.0000 174.8819 54 R 4.1388 8.0357 119.8798 56.4342 31.3683 176.8351 55 T 4.3960 8.5971 113.4462 61.5639 70.0967 175.0457 56 L 4.0205 9.1190 121.9873 58.7642 42.2186 180.4232 57 S 4.0997 8.3839 115.2244 61.8945 62.5057 176.3641 58 D 4.3717 7.3958 118.4316 57.9278 40.6388 178.6077 59 Y 4.3021 7.8492 112.9526 57.1872 39.1969 175.6843 60 N 4.0466 7.8332 116.4764 54.7160 37.6039 176.3181 61 I 3.7155 7.2640 119.0304 60.2438 36.6797 176.7248 62 Q 4.2046 8.2315 124.7590 54.4968 29.5133 176.1078 63 K 3.8124 8.3859 119.2558 59.3004 32.3536 176.5241 64 E 4.0329 9.0478 124.6869 55.0662 29.6482 174.6371 65 S 4.2464 8.1503 115.0171 60.2471 63.8980 173.3138 66 T 5.5811 8.9337 120.3660 60.8310 68.0636 173.6315 67 L 5.1141 8.5152 127.8721 54.3251 44.6352 174.7414 68 H 5.6960 9.0910 117.9057 54.2185 30.4649 174.1050 69 L 4.6493 8.5588 126.1272 53.6101 42.7673 175.2850 70 V 4.1160 8.4193 127.8642 61.8151 32.7458 174.6883 71 L 5.1430 8.5208 128.3840 53.6803 43.1208 176.3115 72 R 4.5554 8.6748 119.6921 54.4520 31.6944 175.2869 73 L 4.1893 8.3934 126.0085 54.2814 43.6763 174.5598 74 R 4.4886 8.4254 125.6122 55.5553 31.6014 177.0720 75 G 3.7342 8.2405 107.8124 46.2501 0.0000 173.0384 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 8.16 4.49 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 Q 8.37 4.85 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 3 I 9.35 4.99 2.06 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 1.26 0.83 0.90 0.00 0.00 4 F 8.59 5.32 0.00 2.99 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 5 V 8.76 4.65 2.06 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 0.97 0.00 0.00 0.94 0.00 0.00 6 K 8.71 5.10 0.00 1.85 1.57 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.46 7.81 7 T 8.34 4.93 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 1.23 0.00 0.00 8 L 8.62 4.27 0.00 1.65 1.76 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.71 4.37 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 10 G 7.92 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.94 4.60 0.00 1.77 1.59 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.38 7.81 12 T 8.47 5.04 4.06 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 0.83 0.00 0.00 13 I 8.91 4.30 1.81 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 1.34 0.71 0.87 0.00 0.00 14 T 8.19 4.86 4.19 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 0.00 0.00 0.00 1.32 0.00 0.00 15 L 8.86 4.76 0.00 1.76 1.48 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.68 0.00 1.96 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 2.18 2.36 0.00 17 V 8.17 4.46 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 0.68 0.00 0.00 0.99 0.00 0.00 18 E 8.40 4.68 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 19 P 0.00 4.22 0.00 2.20 2.09 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 20 S 7.94 4.54 0.00 3.82 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 21 D 8.49 4.71 0.00 2.93 2.56 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 0.00 0.00 0.00 0.00 22 T 8.22 4.63 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 1.22 0.00 0.00 23 I 8.37 3.72 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 0.87 0.00 0.00 24 E 8.11 3.86 0.00 2.25 1.94 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 2.30 2.35 0.00 25 N 8.29 4.29 0.00 2.95 2.87 0.00 0.00 6.76 7.24 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 26 V 7.51 3.57 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 1.01 0.00 0.00 0.99 0.00 0.00 27 K 8.80 4.61 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.45 7.81 28 A 7.72 4.38 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 29 K 8.00 3.95 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 30 I 7.97 3.74 2.01 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 1.39 1.34 0.92 0.00 0.00 31 Q 7.37 4.21 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 32 D 8.53 4.47 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.37 0.00 1.87 1.80 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.43 7.81 34 E 8.20 4.46 0.00 2.11 1.91 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 2.20 2.32 0.00 35 G 8.20 4.03 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 0.00 36 I 7.73 3.71 1.86 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 1.40 0.50 0.90 0.00 0.00 37 P 0.00 4.43 0.00 2.17 1.96 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 38 P 0.00 4.25 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 39 D 8.14 4.40 0.00 2.64 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 40 Q 8.17 4.25 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 41 Q 8.02 4.47 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 42 R 8.82 4.60 0.00 1.81 1.82 0.00 3.12 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.32 4.76 0.00 1.55 1.55 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.88 4.95 1.90 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 1.12 1.05 0.85 0.00 0.00 45 F 8.73 5.04 0.00 3.07 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 3.56 0.88 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 0.00 0.00 47 G 8.37 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 0.00 0.00 0.00 48 K 8.05 4.60 0.00 2.03 1.84 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 Q 8.71 4.45 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 7.85 3.59 0.00 1.39 1.23 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.68 4.26 0.00 2.23 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 2.35 2.34 0.00 52 D 9.23 4.47 0.00 2.83 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 53 G 7.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.04 4.14 0.00 2.10 2.12 0.00 3.36 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 55 T 8.60 4.40 4.32 0.00 0.00 0.00 0.00 0.00 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 56 L 9.12 4.02 0.00 1.73 1.69 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.38 4.10 0.00 3.87 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 58 D 7.40 4.37 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.85 4.30 0.00 2.89 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 60 N 7.83 4.05 0.00 2.81 2.90 0.00 0.00 7.08 7.22 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 61 I 7.26 3.72 1.71 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.61 0.00 0.00 62 Q 8.23 4.20 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 63 K 8.39 3.81 0.00 1.83 1.85 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 64 E 9.05 4.03 0.00 1.91 2.33 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 1.93 1.91 0.00 65 S 8.15 4.25 0.00 3.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.93 5.58 4.36 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 1.27 0.00 0.00 67 L 8.52 5.11 0.00 2.00 2.00 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.09 5.70 0.00 3.18 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.56 4.65 0.00 1.62 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.42 4.12 2.24 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.52 5.14 0.00 1.56 1.57 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.67 4.56 0.00 1.75 1.88 0.00 3.09 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 73 L 8.39 4.19 0.00 1.56 1.56 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.43 4.49 0.00 1.84 1.83 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 75 G 8.24 3.73 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 0.00 0.00 0.00