NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3942 8.1627 118.1923 54.3100 33.3099 176.0596 2 K 3.6168 8.2088 124.4342 56.9323 33.1624 174.3382 3 G 4.0026 9.9739 107.7342 46.3965 0.0000 174.1187 4 M 3.4616 7.7423 117.1445 56.5023 29.5487 178.7229 5 S 4.5209 9.5526 111.7690 57.3565 61.2439 172.4276 6 K 4.4672 7.5048 120.8350 56.9007 40.3500 175.1711 7 M 3.8269 8.3865 131.6903 54.9128 32.5603 174.0825 8 P 4.4842 0.0000 0.0000 62.0272 32.4700 177.8599 9 Q 4.0970 8.5919 116.2957 57.0452 28.8669 177.0766 10 F 4.3645 8.1741 121.7262 60.0148 40.1437 177.5127 11 L 3.0762 7.5268 116.9765 56.0914 41.2925 178.1237 12 N 4.1884 8.0435 116.4991 56.5622 38.6899 175.5126 13 R 4.3337 7.1622 115.3915 55.4141 30.8484 176.1978 14 W 4.9141 9.2680 119.2840 54.3385 30.8754 174.4054 15 P 4.4805 0.0000 0.0000 62.2873 31.9217 177.2717 16 R 3.8661 8.8538 120.9842 59.9083 29.4340 178.2824 17 E 3.9856 8.1792 117.1184 60.2375 29.3733 178.6039 18 V 3.7815 8.7708 119.1052 64.2657 31.4478 178.8363 19 L 3.9014 7.4360 117.1515 57.5029 42.3195 178.8237 20 D 4.4535 8.1848 118.5629 57.7582 40.7998 179.2166 21 L 3.9977 9.2027 121.1376 58.0380 42.0476 179.1858 22 V 3.6166 7.7079 117.6740 66.2676 31.5364 177.9413 23 R 3.9255 8.2458 117.0575 59.0111 30.1372 178.7166 24 K 4.1252 7.9304 118.8011 59.3183 32.3152 179.0567 25 V 4.5616 8.4278 119.5028 65.0421 31.3694 177.5234 26 A 4.0755 8.2459 120.5530 54.5468 17.7838 179.1197 27 E 3.9608 8.1403 118.6382 59.1773 29.8152 178.6640 28 E 4.0556 8.1030 116.5705 58.9798 30.1035 178.2970 29 N 4.5693 7.8446 116.1950 53.8498 39.4010 174.5821 30 G 3.6094 8.9857 104.6927 44.8301 0.0000 171.6155 31 R 4.3948 7.7038 112.9403 54.1906 32.9134 175.1104 32 S 4.5223 8.2144 113.6664 57.4731 66.4581 174.3713 33 V 3.7250 8.0832 119.4718 66.4105 31.3783 177.4133 34 N 4.2124 8.1714 116.2887 57.1285 38.6254 176.7450 35 S 4.2045 7.8816 116.4499 61.2949 62.8295 176.3001 36 E 3.9825 8.2276 122.3257 59.2532 29.3255 178.9203 37 I 3.7964 7.6945 119.4863 64.4965 37.2736 177.6468 38 Y 3.8853 8.1033 120.4704 60.6644 38.0886 178.0016 39 Q 3.9447 8.1821 119.0388 59.1275 28.7220 179.0304 40 R 3.9516 7.9923 119.0779 59.0042 29.8427 179.2561 41 V 3.2436 7.9154 118.5462 65.8382 31.2146 177.7717 42 M 3.6512 7.3300 117.1842 57.0865 31.9510 178.0530 43 E 4.0673 7.4799 119.5473 59.1798 28.8084 178.6999 44 S 4.2873 7.7759 113.4398 60.7889 62.9702 176.0746 45 F 4.7761 7.8422 121.5744 60.1564 38.1151 177.8185 46 K 4.0864 8.0373 118.5618 59.1618 31.6069 179.4907 47 K 4.1552 7.4844 118.3890 59.0733 31.9799 178.6900 48 E 4.2638 7.5765 115.0492 56.8772 29.5566 177.6924 49 G 3.9487 7.7806 106.1793 45.6968 0.0000 174.2192 50 R 4.2568 7.7159 116.4698 56.6101 30.4714 177.0648 51 I 4.5417 7.2610 115.9285 59.2780 40.4537 177.7842 52 G 3.4708 7.7853 108.7912 48.3838 0.0000 173.0377 53 A 4.1717 7.7397 125.0675 51.2529 18.5907 176.7296 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 4.39 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 2 K 8.21 3.62 0.00 1.81 1.90 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 3 G 9.97 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 0.00 0.00 0.00 4 M 7.74 3.46 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 5 S 9.55 4.52 0.00 3.97 4.01 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 6 K 7.50 4.47 0.00 1.72 1.61 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 M 8.39 3.83 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 8 P 0.00 4.48 0.00 2.24 2.11 0.00 3.70 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 1.97 1.91 0.00 9 Q 8.59 4.10 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 10 F 8.17 4.36 0.00 3.02 2.83 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 11 L 7.53 3.08 0.00 1.56 1.48 0.82 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.04 4.19 0.00 2.64 2.83 0.00 0.00 6.99 7.64 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 13 R 7.16 4.33 0.00 1.78 2.05 0.00 3.17 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 14 W 9.27 4.91 0.00 3.43 3.13 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 0.00 0.00 0.00 0.00 15 P 0.00 4.48 0.00 2.39 2.18 0.00 3.71 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 2.04 1.89 0.00 16 R 8.85 3.87 0.00 1.92 2.04 0.00 3.21 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 17 E 8.18 3.99 0.00 1.96 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 2.32 2.45 0.00 18 V 8.77 3.78 2.28 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 0.97 0.00 0.00 0.91 0.00 0.00 19 L 7.44 3.90 0.00 1.89 1.72 1.31 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.18 4.45 0.00 3.03 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 21 L 9.20 4.00 0.00 2.01 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.71 3.62 2.34 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 1.05 0.00 0.00 1.23 0.00 0.00 23 R 8.25 3.93 0.00 1.93 2.03 0.00 3.23 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 24 K 7.93 4.13 0.00 2.02 1.94 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 V 8.43 4.56 2.15 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 1.18 0.00 0.00 1.02 0.00 0.00 26 A 8.25 4.08 1.48 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 0.00 0.00 27 E 8.14 3.96 0.00 2.17 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 2.31 0.00 28 E 8.10 4.06 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 29 N 7.84 4.57 0.00 2.87 2.93 0.00 0.00 7.38 7.54 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 30 G 8.99 3.61 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 0.00 31 R 7.70 4.39 0.00 1.90 1.89 0.00 3.58 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 32 S 8.21 4.52 0.00 4.02 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 33 V 8.08 3.72 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 0.96 0.00 0.00 0.94 0.00 0.00 34 N 8.17 4.21 0.00 2.72 2.74 0.00 0.00 7.06 7.50 0.00 0.00 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 7.88 4.20 0.00 4.00 3.90 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 0.00 0.00 0.00 36 E 8.23 3.98 0.00 2.26 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 0.00 2.34 2.43 0.00 37 I 7.69 3.80 1.88 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 1.61 0.69 0.99 0.00 0.00 38 Y 8.10 3.89 0.00 3.11 2.97 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 0.00 0.00 0.00 39 Q 8.18 3.94 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 40 R 7.99 3.95 0.00 1.86 1.95 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 41 V 7.92 3.24 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 0.22 0.00 0.00 0.90 0.00 0.00 42 M 7.33 3.65 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 43 E 7.48 4.07 0.00 1.98 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 0.00 2.29 2.44 0.00 44 S 7.78 4.29 0.00 4.12 4.10 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 45 F 7.84 4.78 0.00 3.32 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 46 K 8.04 4.09 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 47 K 7.48 4.16 0.00 1.93 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.74 7.81 48 E 7.58 4.26 0.00 2.08 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 2.33 2.55 0.00 49 G 7.78 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 0.00 0.00 0.00 50 R 7.72 4.26 0.00 1.57 1.77 0.00 2.80 0.00 0.00 2.96 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 51 I 7.26 4.54 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.95 0.00 0.00 52 G 7.79 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00