NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4630 8.3049 120.3268 55.0464 33.2889 174.2541 2 K 3.9637 8.4981 119.9726 56.3668 33.2286 173.2398 3 R 3.8229 8.7711 124.5541 57.5605 30.0538 175.6789 4 T 4.3421 8.4102 111.0322 62.8151 71.1057 171.5063 5 Y 5.0067 7.8011 121.2047 56.9351 47.1847 171.4091 6 Q 3.5105 7.9358 125.9050 53.8329 29.0854 172.8553 7 P 4.0646 0.0000 0.0000 63.7293 30.5999 172.7639 8 N 3.9886 8.5754 119.7839 54.1518 36.4293 174.1691 9 N 4.9037 8.0276 123.7345 51.1276 36.6428 175.1940 10 R 4.0684 7.8438 122.4386 59.5801 31.5332 178.0107 11 K 4.6290 7.6129 116.9839 54.1604 31.8191 176.5386 12 R 4.7220 7.4627 110.0863 55.5265 32.7990 174.4899 13 A 4.7740 8.2270 119.1619 52.7950 24.0568 177.3808 14 K 4.4047 8.7757 120.0015 54.6831 33.4447 175.7487 15 T 4.5137 7.4050 112.5851 62.4758 76.2446 174.0927 16 H 5.2882 7.7738 121.3717 53.7138 29.9782 174.1220 17 G 4.1165 7.6147 107.2079 43.9836 0.0000 172.6067 18 F 3.9147 8.0612 124.0158 57.1649 39.2716 176.8710 19 R 4.4368 8.0783 124.2874 54.4334 29.6350 176.8287 20 A 4.7816 7.4901 124.6303 50.8239 20.3454 177.4739 21 R 4.6077 7.6250 114.2040 56.4630 33.8063 176.0885 22 M 4.3079 8.0330 119.8484 56.9889 33.1949 178.1892 23 K 3.9401 8.1415 117.0675 58.8943 32.5574 176.8042 24 T 4.5172 7.2337 115.4766 60.3633 69.0371 174.0616 25 K 3.8708 8.4912 125.4688 59.7092 32.4362 178.4111 26 S 4.4563 8.0395 112.0594 58.8131 62.7859 175.3861 27 G 4.0631 8.3295 108.2647 44.5441 0.0000 175.7146 28 R 3.9236 7.8263 121.6146 59.4175 29.9180 178.1032 29 N 4.4359 8.0425 115.1926 55.6761 37.6699 176.8315 30 I 3.9169 7.3894 122.3597 63.8907 36.9654 177.9438 31 L 4.0757 8.0534 120.8768 57.4118 41.3661 177.5982 32 A 4.6130 8.0677 119.9891 51.9736 18.7507 177.5064 33 R 4.3042 7.0440 118.5147 57.1143 30.7260 176.6267 34 R 4.7929 7.2159 108.9856 54.7666 31.6131 172.1219 35 R 4.3075 7.7881 126.6864 57.1088 35.9086 174.7119 36 A 4.6030 7.6062 114.5298 51.4412 19.3956 177.0189 37 K 4.2040 7.6297 120.0798 56.9994 32.9646 176.4147 38 G 3.9450 8.5681 113.3384 44.2921 0.0000 171.6615 39 R 4.2649 8.0555 122.0565 55.6464 30.2203 173.6134 40 H 4.0286 8.8567 128.0635 56.3755 31.8613 176.5630 41 Q 4.6572 7.8264 126.1572 55.5983 27.7135 179.4845 42 L 4.7723 8.5342 129.1313 55.3261 44.9700 176.0317 43 T 4.6805 8.5168 116.5164 63.9575 70.3949 174.4798 44 V 4.1087 7.9518 120.0649 62.7716 33.4562 175.4252 45 S 4.7323 7.7584 112.2204 58.9701 62.1747 172.9497 46 D 4.7417 8.1340 123.7413 53.8563 40.6961 174.4102 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 8.30 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.50 3.96 0.00 1.81 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 3 R 8.77 3.82 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 4 T 8.41 4.34 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 1.25 0.00 0.00 5 Y 7.80 5.01 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.94 3.51 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 7 P 0.00 4.06 0.00 2.07 2.05 0.00 3.77 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 N 8.58 3.99 0.00 2.80 2.81 0.00 0.00 6.70 7.79 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 9 N 8.03 4.90 0.00 2.82 2.82 0.00 0.00 6.34 7.66 0.00 0.00 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 R 7.84 4.07 0.00 1.82 2.03 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 11 K 7.61 4.63 0.00 1.77 1.82 0.00 1.87 0.00 0.00 2.30 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 12 R 7.46 4.72 0.00 1.82 1.74 0.00 3.29 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 13 A 8.23 4.77 1.19 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 0.00 0.00 14 K 8.78 4.40 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 T 7.41 4.51 4.26 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 1.22 0.00 0.00 16 H 7.77 5.29 0.00 3.11 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.61 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 0.00 0.00 0.00 18 F 8.06 3.91 0.00 3.20 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 19 R 8.08 4.44 0.00 1.82 1.91 0.00 3.46 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 A 7.49 4.78 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 21 R 7.62 4.61 0.00 1.78 1.99 0.00 3.37 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 M 8.03 4.31 0.00 2.05 2.05 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 2.60 2.55 0.00 23 K 8.14 3.94 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 T 7.23 4.52 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 1.20 0.00 0.00 25 K 8.49 3.87 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.45 7.81 26 S 8.04 4.46 0.00 3.85 3.87 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 0.00 0.00 0.00 0.00 27 G 8.33 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 0.00 0.00 0.00 28 R 7.83 3.92 0.00 2.11 2.20 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 29 N 8.04 4.44 0.00 2.90 2.94 0.00 0.00 6.05 7.81 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 30 I 7.39 3.92 1.98 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 1.56 1.64 0.90 0.00 0.00 31 L 8.05 4.08 0.00 1.80 1.92 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.07 4.61 1.34 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 33 R 7.04 4.30 0.00 1.89 2.01 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 34 R 7.22 4.79 0.00 1.75 1.80 0.00 3.02 0.00 0.00 3.76 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 35 R 7.79 4.31 0.00 1.77 1.86 0.00 3.44 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 36 A 7.61 4.60 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 37 K 7.63 4.20 0.00 1.94 1.56 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 38 G 8.57 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 0.00 0.00 0.00 39 R 8.06 4.26 0.00 1.84 1.81 0.00 3.37 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 8.86 4.03 0.00 3.28 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.83 4.66 0.00 2.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 42 L 8.53 4.77 0.00 1.65 1.63 1.01 0.77 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 43 T 8.52 4.68 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 1.19 0.00 0.00 44 V 7.95 4.11 2.02 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 -0.05 0.00 0.00 0.87 0.00 0.00 45 S 7.76 4.73 0.00 4.29 3.87 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 0.00 0.00 0.00 0.00 46 D 8.13 4.74 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00