NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4318 8.1627 118.3253 55.3525 33.8171 173.1627 2 Q 4.8193 8.2297 120.2224 52.5772 30.9863 172.7565 3 I 4.5837 9.0915 120.4733 59.0045 42.0262 173.5661 4 F 5.4255 9.2096 120.8101 55.7319 42.1527 175.0582 5 V 4.7680 8.9655 121.8648 61.0839 34.7812 173.9284 6 K 4.8937 9.1843 130.4155 55.1010 33.7370 176.5173 7 T 4.4288 8.8384 119.3991 60.3973 70.3552 175.0685 8 L 3.9617 8.4407 122.5675 58.3722 41.9662 177.7681 9 T 4.0955 7.4586 105.1486 62.0622 69.0491 175.5442 10 G 3.9119 8.1878 111.4538 44.7745 0.0000 173.7647 11 K 3.7796 7.5157 121.6310 57.6609 33.1590 175.4923 12 T 5.1179 8.6356 124.4965 62.0956 69.6516 173.7597 13 I 4.5869 8.6723 121.3756 59.6024 40.1659 175.1795 14 T 4.7738 8.3812 113.7853 61.1963 70.4255 173.8879 15 L 4.7891 8.6299 122.6407 53.0222 46.4077 175.0055 16 E 4.8769 8.7105 123.4575 55.2695 30.3974 175.2939 17 V 4.7097 8.8358 119.7270 60.0338 36.5286 174.3071 18 E 4.7400 9.7758 121.0889 53.9567 32.2881 176.1867 19 P 4.2607 0.0000 0.0000 65.4274 31.5447 178.3578 20 S 4.4562 7.8822 110.2651 58.7213 63.9708 174.1919 21 D 4.4333 7.8632 123.1569 54.7503 41.3188 176.2739 22 T 4.6947 8.2204 113.4850 61.3015 71.3407 175.9292 23 I 3.7320 8.4570 123.2205 64.5862 36.9922 178.4903 24 E 4.0080 8.1039 119.9851 59.1164 29.3929 178.7192 25 N 4.3572 7.8764 116.8501 55.9521 38.6181 177.4162 26 V 3.5524 7.8513 119.6382 66.1781 31.5984 178.1358 27 K 4.3765 8.3371 119.1343 58.9382 31.8457 179.1830 28 A 4.0056 7.8050 120.7115 54.9816 18.3420 179.8650 29 K 4.0743 8.1717 117.1058 59.5621 32.0377 179.7197 30 I 3.7534 8.0031 120.3894 64.0905 36.9388 178.0870 31 Q 4.2042 8.1631 121.9060 58.9392 28.7220 178.1283 32 D 4.3425 8.2961 118.6835 57.2513 40.8958 178.4094 33 K 4.2137 7.8944 118.8814 58.0447 32.5354 177.0053 34 E 4.5188 8.0865 114.6731 54.9836 31.1923 176.2615 35 G 3.8353 8.4089 106.8397 46.2433 0.0000 173.2656 36 I 4.3383 7.4561 120.6336 58.2653 38.6827 173.7423 37 P 4.4375 0.0000 0.0000 62.0116 32.0097 175.7914 38 P 4.2932 0.0000 0.0000 65.6915 31.5432 178.3720 39 D 4.3485 8.1914 116.9068 57.1142 40.8694 177.3360 40 Q 4.3483 7.9810 116.2769 56.2743 29.7001 174.9910 41 Q 4.6936 8.0361 118.7457 54.8968 30.8523 175.0420 42 R 4.8273 8.6997 121.8071 54.4697 33.5771 174.2684 43 L 5.2362 8.5272 123.9161 53.1442 44.3179 175.6120 44 I 5.1148 8.9568 123.6881 59.6295 41.3816 174.3056 45 F 4.9747 9.4070 127.5430 57.3629 43.1156 174.1540 46 A 3.3518 8.6510 128.4278 53.1652 15.8270 177.5014 47 G 3.8951 8.0749 106.0590 45.9591 0.0000 173.4511 48 K 4.5773 7.8388 119.5570 53.9880 34.8025 175.2278 49 Q 4.5385 8.5326 124.7220 56.1202 29.6608 175.2888 50 L 4.3049 8.6473 126.6089 54.1144 43.2636 175.8720 51 E 4.6174 9.3362 122.0441 54.9350 31.2850 176.6869 52 D 4.3822 9.1814 124.5608 57.7534 40.9603 178.8015 53 G 3.9926 8.0293 103.4857 45.7468 0.0000 173.5151 54 R 4.4188 7.9734 120.0998 55.0110 31.6414 175.7245 55 T 4.9351 7.9224 109.4350 60.3490 70.8111 175.6961 56 L 4.1778 8.4606 123.1213 58.1831 41.6093 179.6678 57 S 4.0530 8.0153 113.0059 61.9559 62.0360 176.2723 58 D 4.3202 7.8424 119.4079 56.7186 40.4432 177.4258 59 Y 4.6458 7.7757 115.4340 56.5899 38.0215 175.4919 60 N 4.4226 8.1288 115.8824 54.0179 36.9782 174.3581 61 I 3.4823 7.2166 119.2807 61.4005 37.4003 175.8040 62 Q 4.6197 8.4807 124.0881 52.8861 31.7476 174.5567 63 K 4.0515 8.2879 118.6190 58.4067 32.2616 176.0388 64 E 4.0295 9.1665 124.1718 56.7023 28.0245 174.8831 65 S 4.5698 7.9878 115.8614 58.9640 64.2743 173.1741 66 T 5.1736 8.7341 119.1660 62.1109 70.2843 173.8784 67 L 4.9890 9.3229 126.8779 53.8043 44.4165 175.2204 68 H 5.1898 9.1326 119.4480 54.4354 30.9647 173.8454 69 L 5.1396 8.8523 125.4100 53.4507 43.7257 175.4876 70 V 4.4839 8.5531 126.5889 61.1501 34.0450 174.5471 71 L 4.9905 8.3903 126.6024 53.5714 43.4767 175.9552 72 R 4.2693 8.6325 123.2090 55.7807 30.8013 175.6618 73 L 4.7857 8.5490 125.9173 52.9613 44.1495 175.9563 74 R 4.7368 8.0333 121.3052 54.6000 33.8780 175.6887 75 G 3.7668 8.3886 107.6595 46.5647 0.0000 173.4989 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 4.43 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 Q 8.23 4.82 0.00 2.09 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 3 I 9.09 4.58 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.78 0.00 0.00 4 F 9.21 5.43 0.00 3.04 2.92 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 5 V 8.97 4.77 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 1.04 0.00 0.00 0.93 0.00 0.00 6 K 9.18 4.89 0.00 1.76 1.57 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.35 7.81 7 T 8.84 4.43 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 8.44 3.96 0.00 1.61 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.46 4.10 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 8.19 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.52 3.78 0.00 1.85 1.74 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 12 T 8.64 5.12 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 1.20 0.00 0.00 13 I 8.67 4.59 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.21 1.00 0.00 0.00 14 T 8.38 4.77 4.15 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 0.00 0.00 0.00 1.32 0.00 0.00 15 L 8.63 4.79 0.00 1.47 1.47 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.88 0.00 1.90 1.82 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 2.20 2.35 0.00 17 V 8.84 4.71 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 0.70 0.00 0.00 0.86 0.00 0.00 18 E 9.78 4.74 0.00 1.80 1.80 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 2.20 2.38 0.00 19 P 0.00 4.26 0.00 2.08 2.08 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 20 S 7.88 4.46 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 7.86 4.43 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.69 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.46 3.73 2.19 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 1.79 1.23 0.93 0.00 0.00 24 E 8.10 4.01 0.00 2.18 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 2.36 0.00 25 N 7.88 4.36 0.00 3.08 2.83 0.00 0.00 6.53 8.39 0.00 0.00 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 7.85 3.55 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 1.01 0.00 0.00 0.91 0.00 0.00 27 K 8.34 4.38 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.54 7.81 28 A 7.80 4.01 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 29 K 8.17 4.07 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 I 8.00 3.75 2.12 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 0.73 0.95 0.00 0.00 31 Q 8.16 4.20 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 8.30 4.34 0.00 2.76 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 7.89 4.21 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.09 4.52 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 35 G 8.41 3.84 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 0.00 0.00 0.00 36 I 7.46 4.34 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.10 2.10 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 39 D 8.19 4.35 0.00 2.66 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 40 Q 7.98 4.35 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 8.04 4.69 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 42 R 8.70 4.83 0.00 1.86 1.80 0.00 3.10 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 43 L 8.53 5.24 0.00 1.56 1.53 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.96 5.11 1.90 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 1.10 0.77 0.93 0.00 0.00 45 F 9.41 4.97 0.00 2.89 2.71 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 46 A 8.65 3.35 0.82 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 47 G 8.07 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 0.00 0.00 0.00 48 K 7.84 4.58 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.53 7.81 49 Q 8.53 4.54 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 50 L 8.65 4.30 0.00 1.43 1.28 0.73 -0.11 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 9.34 4.62 0.00 2.02 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 2.34 2.46 0.00 52 D 9.18 4.38 0.00 2.76 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 53 G 8.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.42 0.00 1.97 1.88 0.00 3.13 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 55 T 7.92 4.94 4.41 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 1.26 0.00 0.00 56 L 8.46 4.18 0.00 1.88 1.73 0.91 0.83 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 57 S 8.02 4.05 0.00 3.99 3.88 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 0.00 0.00 0.00 58 D 7.84 4.32 0.00 2.49 2.35 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 59 Y 7.78 4.65 0.00 3.18 3.05 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 60 N 8.13 4.42 0.00 2.97 2.97 0.00 0.00 6.93 7.07 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 61 I 7.22 3.48 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.05 0.59 0.00 0.00 62 Q 8.48 4.62 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 63 K 8.29 4.05 0.00 1.67 1.74 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 E 9.17 4.03 0.00 2.23 2.33 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 0.00 2.41 2.30 0.00 65 S 7.99 4.57 0.00 3.66 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 5.17 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 9.32 4.99 0.00 1.57 1.73 0.84 0.86 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 68 H 9.13 5.19 0.00 3.07 3.23 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 8.85 5.14 0.00 1.59 1.70 0.93 0.80 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 V 8.55 4.48 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 0.92 0.00 0.00 0.95 0.00 0.00 71 L 8.39 4.99 0.00 1.57 1.57 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.63 4.27 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 73 L 8.55 4.79 0.00 1.64 1.54 0.92 0.89 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 74 R 8.03 4.74 0.00 1.74 1.78 0.00 3.25 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.39 3.77 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 0.00 0.00 0.00