NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2839 8.2649 123.5814 52.2485 19.2289 176.1020 2 D 4.3695 8.3037 124.7603 56.6141 41.8279 176.6769 3 Q 4.1219 8.6168 118.5943 58.2316 30.3267 176.3624 4 L 4.7808 7.1804 114.1681 52.7182 45.7792 175.7530 5 T 4.0077 8.2384 109.4692 62.1159 70.3905 174.1456 6 E 3.8886 8.8389 122.0238 60.0366 29.2921 178.5140 7 E 3.8862 7.7576 117.4270 59.6400 29.4200 178.9017 8 Q 4.2865 7.6805 119.6403 58.6809 29.1488 178.4557 9 I 3.5349 7.4181 120.4517 64.3765 37.1039 178.0084 10 A 3.9558 8.3615 121.5284 55.4688 18.3210 179.4408 11 E 3.9435 8.5133 117.3052 59.7793 29.5071 179.7145 12 F 4.8186 8.5313 118.1339 60.5157 38.9742 177.6188 13 K 3.7317 8.4073 119.6046 59.4983 32.0064 178.7330 14 E 3.8803 8.5025 119.0233 59.3385 29.4064 179.1910 15 A 3.4762 8.5543 121.1383 54.6460 18.2231 179.4053 16 F 3.7494 7.7715 119.1866 61.3450 39.2244 177.1403 17 S 3.7993 7.4738 111.2456 61.5028 62.2301 175.9595 18 L 3.9927 7.3564 119.9509 57.4694 41.2464 179.4656 19 F 4.6985 7.0771 117.1219 59.7405 40.7563 177.0072 20 D 4.5331 7.5871 120.7696 52.4243 37.8377 176.7134 21 K 3.9945 7.8216 121.5904 58.9151 33.3599 178.8503 22 D 4.3865 8.0483 118.0494 53.4849 39.9493 176.6108 23 G 3.8237 7.6447 107.5165 46.6052 0.0000 174.0670 24 D 4.4186 9.1880 118.6859 53.2282 39.7379 176.9557 25 G 4.0107 9.3394 108.4580 46.1004 0.0000 173.6753 26 T 4.5898 8.5751 110.1828 60.2897 71.5729 173.4434 27 I 4.3927 9.0791 129.5529 60.8870 38.4104 176.3260 28 T 4.5655 8.8248 118.5537 60.7685 70.7128 176.2509 29 T 3.8502 8.5032 112.1507 64.8349 68.5234 176.3185 30 K 3.8951 7.9793 122.0711 59.2389 32.2932 178.3033 31 E 3.9269 8.0836 118.6409 59.3692 29.3672 178.8844 32 L 3.9070 8.4143 120.7810 58.0549 41.9186 179.1597 33 G 3.6528 7.9242 105.4824 48.3059 0.0000 175.4643 34 T 3.8608 7.5603 118.7469 66.7788 68.6086 175.9812 35 V 3.3242 8.0814 119.7301 66.8838 30.9517 177.7545 36 M 4.0382 8.7847 117.9746 58.5000 32.0613 179.0012 37 R 4.8307 8.5069 120.4548 58.8356 29.9650 178.6687 38 S 4.3064 8.2288 113.9647 60.9444 63.3140 175.7057 39 L 4.3362 7.7040 119.8161 54.7556 42.7870 176.3810 40 G 3.7116 9.3437 106.8670 45.2893 0.0000 171.7817 41 Q 4.4639 7.8284 119.0280 55.1409 33.7825 174.0237 42 N 4.7346 8.3389 116.7261 51.2342 40.0847 171.6830 43 P 5.1375 0.0000 0.0000 61.5269 33.0804 176.2958 44 T 4.3680 8.6702 117.2237 62.6005 69.8741 175.8552 45 E 3.9443 8.8544 122.0868 59.7594 29.3064 179.5706 46 A 3.9664 7.9776 120.0191 55.4251 18.3999 179.3889 47 E 4.1252 8.0015 116.3406 59.2761 29.1911 179.8109 48 L 3.9668 7.7886 119.4494 57.7698 41.7188 179.1425 49 Q 3.9579 7.9648 119.0387 59.1175 29.0738 177.8233 50 D 4.3102 8.5380 120.2482 57.5570 40.8659 178.5055 51 M 4.0715 7.9408 118.1389 58.5662 32.1186 178.6954 52 I 3.8177 7.4836 119.6474 64.5317 37.2430 177.9666 53 N 4.2772 8.2212 118.0008 56.6720 38.5180 176.6945 54 E 4.0887 8.7211 118.5513 58.3590 29.5982 178.0383 55 V 4.2485 7.5790 111.1900 60.7595 32.3597 174.5440 56 D 4.5537 7.6678 120.7807 53.3247 41.0783 176.1405 57 A 4.2660 8.4301 130.9138 53.8919 19.0744 177.6220 58 D 4.4703 8.2780 113.5499 53.3540 40.2496 177.6683 59 G 3.9490 8.3246 107.4114 45.6894 0.0000 174.0951 60 N 4.3974 8.3713 118.6787 54.0066 37.5614 176.1311 61 G 4.0565 9.9445 106.8431 44.8671 0.0000 172.7154 62 T 4.8799 7.9593 107.3326 60.2684 72.3006 172.7589 63 I 5.0397 8.6811 122.8979 59.7069 41.0390 174.8659 64 D 5.4153 8.9026 125.5982 51.5503 42.5540 176.8834 65 F 3.6046 8.3881 118.9523 60.9606 39.0394 174.7243 66 P 3.7039 0.0000 0.0000 65.7849 30.9837 178.3893 67 E 3.9012 9.0026 117.3438 59.2062 29.3056 178.9867 68 F 4.1403 8.7407 121.1145 61.3337 39.4308 176.9628 69 L 3.7676 8.0973 120.5181 58.1603 41.8059 178.9860 70 T 3.7663 7.6571 109.7938 64.9576 68.5813 175.9874 71 M 3.8769 8.1172 121.2634 58.6946 31.9756 178.0851 72 M 3.6942 7.5731 117.7824 58.1537 32.0627 178.1673 73 A 4.5271 7.5905 121.4873 54.7779 18.5771 179.6645 74 R 4.1400 7.4806 115.2561 58.1118 31.0504 178.3385 75 K 4.2856 7.5773 119.9507 55.6891 30.0360 176.4499 76 M 4.1754 7.9329 120.4942 55.4145 30.5585 175.4450 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 A 8.26 4.28 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 2 D 8.30 4.37 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 3 Q 8.62 4.12 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 4 L 7.18 4.78 0.00 1.46 1.44 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.24 4.01 4.21 0.00 0.00 0.00 0.00 0.00 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 6 E 8.84 3.89 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 2.37 2.37 0.00 7 E 7.76 3.89 0.00 2.07 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 2.30 2.45 0.00 8 Q 7.68 4.29 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.08 1.16 0.00 9 I 7.42 3.53 1.96 0.00 0.00 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 1.46 0.56 1.02 0.00 0.00 10 A 8.36 3.96 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 11 E 8.51 3.94 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 2.35 2.41 0.00 12 F 8.53 4.82 0.00 3.43 3.56 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 13 K 8.41 3.73 0.00 1.59 1.96 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.36 7.81 14 E 8.50 3.88 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 15 A 8.55 3.48 1.11 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 0.00 0.00 16 F 7.77 3.75 0.00 3.03 3.08 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 0.00 0.00 0.00 17 S 7.47 3.80 0.00 3.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.36 3.99 0.00 1.38 1.63 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.08 4.70 0.00 2.88 2.84 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 20 D 7.59 4.53 0.00 2.27 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 0.00 0.00 0.00 0.00 21 K 7.82 3.99 0.00 1.86 1.90 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.36 7.81 22 D 8.05 4.39 0.00 2.76 2.81 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 23 G 7.64 3.82 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 0.00 0.00 0.00 24 D 9.19 4.42 0.00 2.73 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 25 G 9.34 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 0.00 0.00 0.00 26 T 8.58 4.59 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 27 I 9.08 4.39 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.87 0.00 0.00 28 T 8.82 4.57 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 29 T 8.50 3.85 4.35 0.00 0.00 0.00 0.00 0.00 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 30 K 7.98 3.90 0.00 1.87 1.83 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.58 7.81 31 E 8.08 3.93 0.00 2.32 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 2.31 2.31 0.00 32 L 8.41 3.91 0.00 1.70 1.81 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.92 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 34 T 7.56 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 35 V 8.08 3.32 1.33 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 -0.37 0.00 0.00 0.52 0.00 0.00 36 M 8.78 4.04 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 37 R 8.51 4.83 0.00 2.10 2.11 0.00 3.27 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 38 S 8.23 4.31 0.00 4.13 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.34 0.00 1.89 1.84 1.33 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.34 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 41 Q 7.83 4.46 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 42 N 8.34 4.73 0.00 2.62 2.69 0.00 0.00 6.97 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 5.14 0.00 2.19 2.00 0.00 3.41 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 44 T 8.67 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 1.23 0.00 0.00 45 E 8.85 3.94 0.00 2.00 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 2.40 2.39 0.00 46 A 7.98 3.97 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 47 E 8.00 4.13 0.00 2.27 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 2.35 0.00 48 L 7.79 3.97 0.00 1.94 1.70 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.96 3.96 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 50 D 8.54 4.31 0.00 2.80 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 51 M 7.94 4.07 0.00 1.93 2.18 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 2.58 2.76 0.00 52 I 7.48 3.82 1.95 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 1.40 0.88 0.92 0.00 0.00 53 N 8.22 4.28 0.00 2.96 2.81 0.00 0.00 7.08 7.75 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 54 E 8.72 4.09 0.00 2.09 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 0.00 2.51 2.34 0.00 55 V 7.58 4.25 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 0.65 0.00 0.00 1.07 0.00 0.00 56 D 7.67 4.55 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.43 4.27 1.25 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 0.00 0.00 0.00 58 D 8.28 4.47 0.00 2.78 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 59 G 8.32 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 60 N 8.37 4.40 0.00 2.88 2.97 0.00 0.00 7.11 7.03 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 61 G 9.94 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 62 T 7.96 4.88 4.29 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 0.00 0.00 0.00 1.23 0.00 0.00 63 I 8.68 5.04 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 1.09 0.00 0.00 64 D 8.90 5.42 0.00 2.92 2.90 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 65 F 8.39 3.60 0.00 1.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.70 0.00 2.13 1.94 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 67 E 9.00 3.90 0.00 2.16 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 2.31 2.42 0.00 68 F 8.74 4.14 0.00 3.28 3.32 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 0.00 69 L 8.10 3.77 0.00 1.26 1.45 1.08 0.57 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 70 T 7.66 3.77 4.17 0.00 0.00 0.00 0.00 0.00 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 71 M 8.12 3.88 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 72 M 7.57 3.69 0.00 1.77 2.05 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.59 0.00 73 A 7.59 4.53 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.48 4.14 0.00 1.91 1.96 0.00 3.30 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 75 K 7.58 4.29 0.00 1.66 1.86 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 76 M 7.93 4.18 0.00 2.10 1.95 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 2.55 2.56 0.00