NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3085 8.4444 120.2306 56.3119 31.2517 174.8540 3 S 4.6287 8.1236 115.0866 55.5558 65.1763 173.8125 4 F 4.0792 8.9758 131.1944 61.3827 39.6439 176.4770 5 L 3.8217 8.1092 119.2984 58.3112 42.0069 178.4004 6 L 3.9241 7.8114 119.8681 58.2081 41.8895 178.8450 7 S 4.2905 7.8621 113.3969 60.4641 63.2064 176.5311 8 K 3.9043 7.4916 122.0496 58.7860 31.7334 179.1862 9 V 3.6771 8.0098 119.1884 66.1188 31.4563 178.2272 10 S 4.0896 7.8975 113.3371 61.4177 62.7167 175.8782 11 F 4.0057 8.1762 124.5888 60.9513 39.0391 177.2106 12 V 3.4182 8.2672 117.8861 66.0574 31.2724 177.6203 13 I 3.7181 7.9264 119.8330 64.5799 37.0531 178.0891 14 K 3.7619 8.0217 119.9647 59.2684 31.8849 178.5452 15 K 3.6407 7.8278 120.0564 59.5969 32.1856 178.8258 16 I 3.6246 8.1547 120.2595 64.3200 36.9734 178.2701 17 R 3.8803 8.1174 119.6931 59.4742 29.8118 178.6302 18 L 3.9386 7.8403 118.5813 57.8301 41.5310 179.1613 19 E 4.2165 8.2413 117.4513 58.7868 29.4137 178.5970 20 K 4.4180 7.7425 115.9866 55.0729 32.4673 176.5382 21 G 4.0653 8.1998 107.2648 46.4501 0.0000 173.4875 22 M 4.3106 7.9459 118.6689 54.3680 32.8822 177.4921 23 T 4.1987 8.2118 113.4789 61.1480 71.3031 175.6469 24 Q 3.9169 8.5400 120.9069 59.2729 28.6782 178.7765 25 E 3.6975 8.1823 119.4833 59.6064 29.4692 178.5581 26 D 4.5570 8.2080 118.5762 57.4285 40.7861 178.5979 27 L 3.9430 8.2019 120.7311 57.7326 42.1083 179.0511 28 A 3.9817 8.3354 121.3757 55.2913 18.4077 178.7749 29 Y 4.3894 7.8930 115.6075 61.7423 37.8288 179.6281 30 K 4.1446 8.3886 117.8936 58.5306 32.2071 178.5672 31 S 4.5751 7.6624 111.7037 56.8106 64.7323 173.8025 32 N 4.1692 7.8341 118.8082 54.7955 36.2834 171.8754 33 L 4.7855 7.8031 115.7696 52.8193 46.2104 175.7938 34 D 4.8564 8.4312 117.2796 53.0132 43.6142 177.1621 35 R 3.8374 8.6332 126.8036 60.2110 30.0685 178.6442 36 T 4.0084 8.8653 109.4651 64.6311 68.7380 176.0698 37 Y 4.2068 8.0208 122.1025 60.7826 38.7207 177.9353 38 I 3.5390 7.6578 119.4806 64.0934 37.5368 177.7476 39 S 4.3731 8.4327 114.6908 61.6829 62.0796 176.4855 40 G 3.6788 7.9102 107.6542 48.0316 0.0000 175.4072 41 I 3.5968 7.5000 122.1559 64.2196 36.8705 178.3223 42 E 4.0566 7.9618 117.9425 58.1626 29.4624 177.8723 43 R 4.5232 7.8804 117.0129 56.5896 31.8405 175.2436 44 N 4.2111 7.8199 113.8123 54.6915 38.1102 174.1240 45 S 4.7629 8.2872 107.7361 57.3410 63.3629 173.6952 46 R 4.5726 7.5939 118.1126 54.8995 33.5408 174.5928 47 N 4.7712 8.6607 120.5349 51.6607 38.9203 173.5207 48 L 4.5710 7.9666 124.5414 54.2492 42.5434 177.6232 49 T 4.0779 8.2059 114.1758 61.8488 69.3521 175.1052 50 I 3.7069 8.4059 126.5993 64.7632 37.1825 178.4989 51 K 3.8884 8.1309 118.3954 59.8691 31.9023 179.3660 52 S 4.1742 8.0174 114.6723 61.4123 62.7849 176.1146 53 L 3.8442 7.9703 123.1281 58.2512 41.7173 178.7793 54 E 3.8282 8.2480 119.2138 59.1714 29.4334 178.7954 55 L 4.0356 7.8224 119.1135 57.7501 41.6550 179.4993 56 I 3.8363 7.7365 119.8728 64.3280 37.0822 178.3155 57 M 4.1017 8.1488 119.9381 58.2932 31.6454 178.9505 58 K 4.1708 8.1972 118.7475 58.9376 31.9007 179.7041 59 G 3.7105 7.5275 105.7349 47.6001 0.0000 175.8028 60 L 4.0606 8.2770 120.5146 55.1753 42.0177 176.8169 61 E 3.7822 7.7524 115.6169 57.6909 26.9384 174.5893 62 V 4.5395 7.6651 116.7500 59.1541 34.5198 176.2975 63 S 4.3676 8.4181 117.3469 58.1924 65.0672 174.8110 64 D 4.4075 8.8418 124.1300 57.8654 40.6084 179.4071 65 V 3.7708 7.9879 117.8556 66.5342 31.5395 178.4662 66 V 4.2752 7.6780 112.9813 63.3972 31.2365 178.4650 67 F 3.7745 8.3011 120.8643 61.3528 39.1793 177.2314 68 F 4.3705 8.5090 117.3947 60.2211 38.8162 177.5741 69 E 4.0249 8.5159 118.5933 59.9255 29.2439 179.4199 70 M 4.0326 7.9173 118.5242 58.1288 31.9325 178.5188 71 L 3.8200 7.8524 120.7038 58.1661 42.0059 179.2022 72 I 3.7580 7.8168 118.9166 64.1927 37.4779 177.9650 73 K 4.0733 7.9315 120.1494 59.5509 32.0051 178.4830 74 E 3.9470 8.3994 119.7000 59.3348 29.3366 178.7685 75 I 3.8374 7.7918 119.0758 64.1763 37.2674 177.6013 76 L 4.2074 7.4804 116.9565 55.0731 41.7731 176.8632 77 K 4.1457 7.7901 125.1834 56.4489 33.9464 175.4941 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 2 E 8.44 4.31 0.00 2.00 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 2.23 2.26 0.00 3 S 8.12 4.63 0.00 3.99 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 4 F 8.98 4.08 0.00 3.08 3.07 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 0.00 0.00 0.00 5 L 8.11 3.82 0.00 1.85 1.71 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.81 3.92 0.00 1.80 1.67 1.07 0.60 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 7 S 7.86 4.29 0.00 4.08 4.16 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 0.00 0.00 0.00 8 K 7.49 3.90 0.00 1.69 1.73 0.00 1.34 0.00 0.00 1.10 0.00 0.00 2.60 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.56 1.05 7.81 9 V 8.01 3.68 2.29 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 1.28 0.00 0.00 1.06 0.00 0.00 10 S 7.90 4.09 0.00 4.29 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 11 F 8.18 4.01 0.00 3.21 3.19 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 0.00 12 V 8.27 3.42 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 0.22 0.00 0.00 0.81 0.00 0.00 13 I 7.93 3.72 2.00 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 1.62 0.82 0.90 0.00 0.00 14 K 8.02 3.76 0.00 1.70 1.74 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.32 7.81 15 K 7.83 3.64 0.00 1.44 1.75 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.34 7.81 16 I 8.15 3.62 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.90 0.00 0.00 17 R 8.12 3.88 0.00 1.83 2.13 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 18 L 7.84 3.94 0.00 1.89 1.62 0.85 0.64 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 19 E 8.24 4.22 0.00 2.00 2.00 0.00 0.00 0.00 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 2.31 0.00 20 K 7.74 4.42 0.00 1.89 1.83 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.60 7.81 21 G 8.20 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.95 4.31 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 23 T 8.21 4.20 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 1.22 0.00 0.00 24 Q 8.54 3.92 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 25 E 8.18 3.70 0.00 1.97 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 2.06 2.18 0.00 26 D 8.21 4.56 0.00 2.94 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 27 L 8.20 3.94 0.00 1.74 1.78 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.34 3.98 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 29 Y 7.89 4.39 0.00 3.18 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 30 K 8.39 4.14 0.00 1.86 1.91 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.62 7.81 31 S 7.66 4.58 0.00 4.17 3.97 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 32 N 7.83 4.17 0.00 2.85 2.86 0.00 0.00 6.68 8.02 0.00 0.00 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 L 7.80 4.79 0.00 1.74 1.67 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.43 4.86 0.00 2.66 2.54 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 0.00 0.00 0.00 0.00 35 R 8.63 3.84 0.00 1.76 1.88 0.00 3.34 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 36 T 8.87 4.01 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 1.30 0.00 0.00 37 Y 8.02 4.21 0.00 2.97 3.26 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 38 I 7.66 3.54 1.94 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 1.67 0.92 0.85 0.00 0.00 39 S 8.43 4.37 0.00 3.94 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 40 G 7.91 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 41 I 7.50 3.60 1.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.18 0.79 0.00 0.00 42 E 7.96 4.06 0.00 2.14 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 2.28 2.42 0.00 43 R 7.88 4.52 0.00 1.74 1.93 0.00 3.40 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 44 N 7.82 4.21 0.00 2.75 2.81 0.00 0.00 6.94 7.15 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 45 S 8.29 4.76 0.00 3.97 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 46 R 7.59 4.57 0.00 1.63 1.77 0.00 2.99 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 47 N 8.66 4.77 0.00 2.64 2.74 0.00 0.00 7.03 7.78 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 48 L 7.97 4.57 0.00 1.84 1.71 0.92 0.64 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 49 T 8.21 4.08 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 1.26 0.00 0.00 50 I 8.41 3.71 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.70 0.94 0.00 0.00 51 K 8.13 3.89 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 52 S 8.02 4.17 0.00 4.11 4.12 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 53 L 7.97 3.84 0.00 1.83 1.70 0.75 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.25 3.83 0.00 2.20 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 2.29 2.33 0.00 55 L 7.82 4.04 0.00 1.99 1.72 0.92 0.83 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 56 I 7.74 3.84 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 0.88 0.00 0.00 57 M 8.15 4.10 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.30 0.00 58 K 8.20 4.17 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 59 G 7.53 3.71 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 0.00 0.00 0.00 60 L 8.28 4.06 0.00 1.74 1.78 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.75 3.78 0.00 2.19 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 0.00 2.24 2.24 0.00 62 V 7.67 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 0.98 0.00 0.00 63 S 8.42 4.37 0.00 4.12 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 0.00 64 D 8.84 4.41 0.00 2.93 3.06 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 65 V 7.99 3.77 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 1.18 0.00 0.00 1.01 0.00 0.00 66 V 7.68 4.28 2.10 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 1.10 0.00 0.00 0.95 0.00 0.00 67 F 8.30 3.77 0.00 3.03 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 68 F 8.51 4.37 0.00 3.25 3.14 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 0.00 0.00 0.00 69 E 8.52 4.02 0.00 2.22 2.03 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 2.38 2.52 0.00 70 M 7.92 4.03 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 71 L 7.85 3.82 0.00 1.78 1.89 1.24 1.17 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 72 I 7.82 3.76 2.08 0.00 0.00 0.92 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 0.85 0.95 0.00 0.00 73 K 7.93 4.07 0.00 1.86 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 74 E 8.40 3.95 0.00 2.30 2.00 0.00 0.00 0.00 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 2.26 0.00 75 I 7.79 3.84 2.16 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 1.64 0.74 1.09 0.00 0.00 76 L 7.48 4.21 0.00 1.82 1.73 0.94 0.88 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 77 K 7.79 4.15 0.00 1.76 2.14 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.31 7.81