NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5694 8.1476 118.3250 55.2877 33.5282 173.4686 2 Q 5.5080 8.4946 117.2713 51.8979 31.3862 172.9547 3 I 4.4120 8.7784 115.9510 58.9100 42.1975 174.8838 4 F 5.5542 9.0601 121.0370 55.7096 42.1143 174.7776 5 V 4.6681 9.3016 123.5465 61.1745 33.4650 174.0774 6 K 5.1902 9.2989 130.2149 55.0179 34.6242 175.3702 7 T 5.0272 8.4142 116.7316 59.9288 70.7519 174.8370 8 L 4.1543 8.6447 121.3322 57.0802 42.3605 177.9979 9 T 4.4367 7.3791 110.9929 61.0609 68.7070 177.3384 10 G 4.0072 8.2252 108.7094 47.1589 0.0000 174.1704 11 K 4.0883 7.7052 122.0768 57.0401 33.3751 175.8029 12 T 5.0991 8.4578 122.9062 61.8023 71.6803 173.0400 13 I 4.6046 8.9504 120.7472 59.4033 40.3757 174.8002 14 T 5.1951 8.5516 121.1800 62.5316 70.3930 174.0632 15 L 4.8287 8.6378 123.6681 53.0847 46.4459 175.5718 16 E 4.8431 8.7824 121.8369 55.3750 30.3252 175.3494 17 V 4.7341 8.7975 117.7940 59.5453 36.2667 174.8283 18 E 4.6632 9.0016 119.1290 54.1456 33.2667 175.6404 19 P 4.2823 0.0000 0.0000 65.8874 31.5220 178.1803 20 S 4.3941 7.8886 109.6197 59.1756 63.7199 174.1617 21 D 4.4631 8.4303 123.3484 54.6073 41.3700 176.0488 22 T 4.7513 8.1285 113.1159 60.8089 71.6213 176.1275 23 I 3.7155 8.4192 123.3029 64.5949 37.2363 178.7515 24 E 3.9504 8.0205 118.4970 59.3538 29.1580 178.6721 25 N 4.3772 7.9370 117.9966 56.2344 39.0773 177.1037 26 V 3.6386 7.6725 119.9444 65.6907 31.5985 178.2221 27 K 4.2971 8.5885 119.7796 58.6582 31.8408 179.1656 28 A 4.0183 7.9641 121.0653 55.1170 18.3197 179.8737 29 K 3.9598 7.8137 117.0145 59.6435 32.0222 179.7221 30 I 3.8004 7.6610 119.9110 64.0727 36.9320 178.3467 31 Q 4.0375 8.1309 120.7782 59.3301 28.7308 177.8987 32 D 4.5740 8.0953 118.7418 56.8262 40.8185 178.6267 33 K 4.1647 7.7385 117.9827 58.6361 32.5348 178.0234 34 E 4.5138 8.5186 116.3370 55.3377 30.7349 176.6822 35 G 3.8699 8.5155 106.7128 45.5473 0.0000 173.2195 36 I 3.9764 7.3929 120.1787 59.2556 38.4356 173.5355 37 P 4.3442 0.0000 0.0000 62.3454 32.0325 175.4390 38 P 4.2529 0.0000 0.0000 65.7827 31.3448 178.2563 39 D 4.4205 8.1717 115.5653 55.6888 39.3402 176.6688 40 Q 4.6168 8.2067 118.0288 55.7548 30.2995 174.7568 41 Q 4.9096 8.3821 119.8413 54.3848 31.5237 174.8975 42 R 4.6585 8.4420 121.0700 54.4663 33.9565 174.1419 43 L 5.3021 8.5666 123.4968 52.9962 44.7120 175.4197 44 I 5.1247 8.8789 123.8168 59.5217 41.1088 174.3666 45 F 5.0028 9.1454 128.0552 56.9918 42.9934 174.3001 46 A 3.3728 9.0621 128.3130 52.9909 15.8508 177.9266 47 G 3.9729 8.6584 107.8115 46.4021 0.0000 174.3107 48 K 4.6781 7.6874 118.4192 54.1683 35.7920 175.4113 49 Q 4.6920 8.4739 120.8058 56.0800 29.4079 175.7322 50 L 3.9461 8.5260 124.4912 54.0324 42.8342 176.4595 51 E 4.3341 9.5698 123.7127 55.7348 30.5451 177.3790 52 D 4.3978 9.1797 123.9017 57.5920 41.0426 178.3002 53 G 4.1687 7.9828 105.3018 45.6296 0.0000 173.1653 54 R 4.6867 7.8634 117.6926 54.0876 33.9686 175.1575 55 T 5.0232 8.0970 109.4681 59.8933 71.0701 175.9554 56 L 4.0663 8.3803 122.4679 58.0070 42.0613 179.9548 57 S 4.1879 8.2994 113.2994 61.3515 62.5435 175.9762 58 D 4.2307 7.7779 119.1420 57.3236 40.5186 176.6835 59 Y 4.5145 7.7500 113.7562 57.1236 37.9760 174.5508 60 N 4.1951 7.7714 117.0273 54.5163 37.9161 174.4254 61 I 3.6344 8.0842 118.1333 60.4727 37.5548 176.6109 62 Q 4.4131 8.2148 125.5679 54.1229 30.7562 175.0550 63 K 4.0533 8.1726 117.5459 58.0531 33.4420 176.9148 64 E 3.5111 8.7294 120.3259 56.4747 27.8129 175.0138 65 S 4.5569 7.4747 115.1421 58.8132 64.5316 172.9272 66 T 5.1534 8.6069 118.0612 62.0652 70.6270 173.8537 67 L 5.0262 9.3889 126.4751 53.5021 45.1219 174.9270 68 H 5.3312 9.0279 117.8834 54.0134 31.6480 173.0112 69 L 5.1092 8.8363 125.4495 53.3135 43.7834 175.6059 70 V 4.4332 8.8267 126.3579 60.7960 34.2605 174.7488 71 L 4.3782 8.6140 128.0865 54.7020 42.3033 177.0286 72 R 4.2071 8.8426 123.7121 55.8480 30.8942 176.3576 73 L 4.1724 8.3947 125.0466 54.3574 42.4643 177.4708 74 R 4.0980 8.6429 120.3126 56.8464 29.9573 176.5636 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 8.15 4.57 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 2 Q 8.49 5.51 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 3 I 8.78 4.41 1.80 0.00 0.00 0.76 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 0.80 0.77 0.00 0.00 4 F 9.06 5.55 0.00 3.00 2.87 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 5 V 9.30 4.67 2.11 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 1.02 0.00 0.00 0.94 0.00 0.00 6 K 9.30 5.19 0.00 1.81 1.57 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.51 7.81 7 T 8.41 5.03 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 1.22 0.00 0.00 8 L 8.64 4.15 0.00 1.67 1.78 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.38 4.44 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 10 G 8.23 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 11 K 7.71 4.09 0.00 1.93 1.70 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.48 7.81 12 T 8.46 5.10 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 1.12 0.00 0.00 13 I 8.95 4.60 1.90 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 1.48 0.98 0.97 0.00 0.00 14 T 8.55 5.20 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 1.40 0.00 0.00 15 L 8.64 4.83 0.00 1.57 1.44 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.78 4.84 0.00 1.82 1.88 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 2.23 2.25 0.00 17 V 8.80 4.73 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 0.63 0.00 0.00 0.89 0.00 0.00 18 E 9.00 4.66 0.00 1.85 1.74 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 2.19 2.24 0.00 19 P 0.00 4.28 0.00 2.14 2.09 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.89 4.39 0.00 3.96 3.96 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 0.00 0.00 0.00 21 D 8.43 4.46 0.00 2.83 2.61 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 22 T 8.13 4.75 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 1.21 0.00 0.00 23 I 8.42 3.72 2.13 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 2.03 1.19 0.96 0.00 0.00 24 E 8.02 3.95 0.00 2.15 2.22 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 2.45 2.32 0.00 25 N 7.94 4.38 0.00 2.81 2.98 0.00 0.00 6.73 8.64 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 26 V 7.67 3.64 2.25 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 0.95 0.00 0.00 0.96 0.00 0.00 27 K 8.59 4.30 0.00 1.83 1.91 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.55 7.81 28 A 7.96 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.96 0.00 1.94 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 30 I 7.66 3.80 2.18 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 1.41 0.88 0.96 0.00 0.00 31 Q 8.13 4.04 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 8.10 4.57 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.16 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.47 1.44 7.81 34 E 8.52 4.51 0.00 2.01 1.93 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 2.23 2.33 0.00 35 G 8.52 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 0.00 0.00 0.00 36 I 7.39 3.98 1.87 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 1.42 0.74 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.37 1.97 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 P 0.00 4.25 0.00 2.17 2.11 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.17 4.42 0.00 2.78 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 40 Q 8.21 4.62 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 41 Q 8.38 4.91 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 8.44 4.66 0.00 1.95 1.78 0.00 3.08 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 43 L 8.57 5.30 0.00 1.53 1.51 0.90 0.81 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 44 I 8.88 5.12 1.92 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 1.11 0.62 0.92 0.00 0.00 45 F 9.15 5.00 0.00 2.98 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 46 A 9.06 3.37 0.69 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.66 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 0.00 0.00 0.00 48 K 7.69 4.68 0.00 1.81 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 49 Q 8.47 4.69 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.53 3.95 0.00 1.35 1.17 0.75 0.03 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 51 E 9.57 4.33 0.00 2.05 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 2.37 2.38 0.00 52 D 9.18 4.40 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 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 0.00 0.00 0.00 0.00 54 R 7.86 4.69 0.00 2.11 1.72 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 55 T 8.10 5.02 4.49 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 1.23 0.00 0.00 56 L 8.38 4.07 0.00 1.83 1.68 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.30 4.19 0.00 3.89 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 58 D 7.78 4.23 0.00 2.63 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 0.00 0.00 0.00 0.00 59 Y 7.75 4.51 0.00 2.96 3.12 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 60 N 7.77 4.20 0.00 2.92 3.02 0.00 0.00 7.10 8.10 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 61 I 8.08 3.63 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 0.55 0.00 0.00 62 Q 8.21 4.41 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 63 K 8.17 4.05 0.00 1.77 1.74 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.42 7.81 64 E 8.73 3.51 0.00 2.17 2.31 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 2.16 2.43 0.00 65 S 7.47 4.56 0.00 3.74 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 66 T 8.61 5.15 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 1.20 0.00 0.00 67 L 9.39 5.03 0.00 1.55 1.57 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.03 5.33 0.00 3.18 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.84 5.11 0.00 1.60 1.56 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.83 4.43 2.09 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.61 4.38 0.00 1.56 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.84 4.21 0.00 1.78 1.91 0.00 3.26 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.39 4.17 0.00 1.68 1.58 0.92 0.92 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 74 R 8.64 4.10 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00