NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4620 8.1633 118.3248 55.2637 33.5803 173.6372 2 Q 4.7757 8.2059 118.3707 52.9727 30.7430 173.4366 3 I 4.4985 8.9464 116.9019 59.0360 42.3023 173.5863 4 F 5.4696 8.8959 120.8262 55.6892 42.8277 174.7685 5 V 4.8572 9.0699 121.4515 61.2581 34.2883 174.2991 6 K 5.1135 9.1964 128.3634 55.3182 34.2547 176.4844 7 T 4.7106 8.5999 114.9482 59.9995 70.9434 175.6491 8 L 3.9947 8.6104 123.4695 57.7494 42.2334 177.3900 9 T 4.2744 7.9513 106.8453 61.3863 68.9086 175.3845 10 G 3.9161 8.3106 109.8908 45.5496 0.0000 173.7276 11 K 4.5589 7.8484 119.1312 55.3384 34.4640 175.5988 12 T 4.9676 8.3683 118.8281 61.9867 70.9415 173.5206 13 I 4.5182 9.0296 127.6930 59.9822 39.6978 174.6541 14 T 5.0761 8.5671 122.9537 62.0037 70.1971 173.9075 15 L 4.8119 8.7876 126.1676 52.7847 45.5915 174.8571 16 E 5.0384 8.6016 122.1534 54.7888 31.1050 175.2563 17 V 4.7142 8.7929 119.4734 60.0560 36.4830 174.1570 18 E 4.7364 9.2716 120.7731 53.9288 32.3709 176.1225 19 P 4.1722 0.0000 0.0000 65.5707 31.5452 178.3224 20 S 4.4417 7.8858 110.0433 58.8190 63.7269 174.1071 21 D 4.4490 8.0694 123.4790 54.5615 41.3341 176.2152 22 T 4.7325 8.1911 113.7096 61.0364 71.4942 175.8631 23 I 3.7040 8.5408 123.2458 64.5923 37.1111 178.3430 24 E 3.9432 8.1939 120.0390 59.3989 29.4695 178.6005 25 N 4.2989 8.1207 116.4189 56.4099 38.6301 177.5000 26 V 3.5894 7.8733 119.4884 66.0110 31.5330 178.2588 27 K 4.3554 8.5050 119.3222 58.8004 31.8259 179.1972 28 A 3.9845 7.9947 121.1455 55.1072 18.1471 179.8564 29 K 3.9722 8.0945 117.0233 59.5910 31.9928 179.7021 30 I 3.7354 7.8526 120.2796 64.2330 36.8970 178.1234 31 Q 4.1196 8.2211 121.9659 58.7277 28.6273 178.0539 32 D 4.3528 7.8982 118.8111 57.3794 40.9625 178.5255 33 K 4.2813 7.7039 117.1363 57.6899 32.1298 177.4181 34 E 4.4962 8.3830 115.9556 54.9534 31.3073 177.3898 35 G 3.7755 8.4588 107.0791 45.6224 0.0000 173.3304 36 I 4.1942 7.0569 122.2169 58.9704 38.0854 173.8531 37 P 4.4570 0.0000 0.0000 61.9884 32.0593 175.6465 38 P 4.2327 0.0000 0.0000 65.7186 31.6171 177.8223 39 D 4.5700 8.1206 115.6965 54.8815 39.6722 176.7661 40 Q 4.5118 8.2586 118.9765 56.0827 30.2301 174.7305 41 Q 4.9042 8.0685 119.9011 54.1337 31.2961 174.7623 42 R 4.7838 9.1053 122.7234 54.3040 33.6840 174.5491 43 L 5.2313 8.4801 122.4221 53.0353 44.7611 175.2418 44 I 5.0523 8.8358 124.1627 59.6102 40.5102 174.4804 45 F 5.0662 9.1943 127.3858 57.4167 43.2765 173.9708 46 A 3.4908 8.8784 127.2064 53.0450 15.9394 177.9936 47 G 3.9319 8.3937 106.4880 46.5850 0.0000 174.2525 48 K 4.6202 7.7180 119.0173 54.1098 35.0053 174.9184 49 Q 4.5556 8.4489 123.4451 55.9393 29.7269 175.2017 50 L 4.1447 8.6608 127.3971 54.1975 43.0175 176.2924 51 E 4.3937 9.4024 123.5615 55.5547 30.6841 177.4066 52 D 4.3802 9.1613 124.0110 57.5118 41.0556 178.4245 53 G 3.8919 7.9966 104.4234 45.9247 0.0000 173.5842 54 R 4.4685 7.8187 119.6544 55.1817 31.3107 175.8484 55 T 4.9207 8.4113 110.1648 59.9639 70.9497 175.9494 56 L 4.0443 8.6546 122.5322 58.1116 42.0233 180.0771 57 S 4.0933 8.2752 113.0868 61.3082 62.5244 175.8310 58 D 4.2542 7.9198 119.4429 57.1742 40.5281 176.7977 59 Y 4.5477 7.5463 112.6783 57.0036 38.0913 174.7440 60 N 4.0984 7.9639 117.3053 54.5336 37.8658 174.6158 61 I 3.7989 7.8592 118.5933 60.2912 37.0138 175.8281 62 Q 4.5602 8.1510 125.1456 53.0797 31.2053 175.1839 63 K 4.0218 8.3294 117.6082 58.9822 32.5079 176.5322 64 E 3.8038 9.2677 119.5807 57.1691 27.7920 174.9624 65 S 4.5649 7.7363 115.1035 59.0944 64.2694 173.2478 66 T 5.1961 8.7056 118.7184 62.1107 70.5035 174.0235 67 L 4.9727 9.1308 126.8394 53.8672 44.7166 175.0358 68 H 5.3292 9.2454 117.9333 54.0506 31.6846 172.9163 69 L 4.9896 8.8460 125.9925 53.6732 43.3403 175.6224 70 V 4.4373 8.7959 126.4563 60.9971 34.4545 174.1446 71 L 4.9316 8.5687 128.0625 54.2587 42.3162 176.4882 72 R 4.4714 8.7252 124.4945 54.9108 33.4384 174.3228 73 L 4.3115 8.6160 129.4782 54.9640 42.6466 176.6069 74 R 4.1201 9.0596 127.4257 55.9691 30.8155 176.5002 75 G 3.7935 8.7278 112.7968 45.6515 0.0000 173.9300 76 G 3.7304 8.4313 107.6442 45.4575 0.0000 173.8756 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 4.46 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 2 Q 8.21 4.78 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 3 I 8.95 4.50 1.82 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 1.07 1.09 0.75 0.00 0.00 4 F 8.90 5.47 0.00 2.96 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 9.07 4.86 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 0.89 0.00 0.00 0.92 0.00 0.00 6 K 9.20 5.11 0.00 1.46 1.66 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.32 7.81 7 T 8.60 4.71 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 8.61 3.99 0.00 1.62 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.95 4.27 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 10 G 8.31 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 0.00 0.00 0.00 11 K 7.85 4.56 0.00 1.72 1.73 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.55 7.81 12 T 8.37 4.97 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 1.20 0.00 0.00 13 I 9.03 4.52 1.98 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 1.40 0.65 0.93 0.00 0.00 14 T 8.57 5.08 4.32 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 1.21 0.00 0.00 15 L 8.79 4.81 0.00 1.44 1.46 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.60 5.04 0.00 1.91 1.79 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 2.15 2.26 0.00 17 V 8.79 4.71 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 9.27 4.74 0.00 1.80 1.79 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 2.19 2.37 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 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 2.05 0.00 20 S 7.89 4.44 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 8.07 4.45 0.00 2.84 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 8.19 4.73 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 1.21 0.00 0.00 23 I 8.54 3.70 2.19 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 1.77 1.33 0.98 0.00 0.00 24 E 8.19 3.94 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 8.12 4.30 0.00 2.98 2.84 0.00 0.00 6.69 7.23 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 26 V 7.87 3.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 27 K 8.51 4.36 0.00 2.00 1.88 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.48 7.81 28 A 7.99 3.98 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 8.09 3.97 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.85 3.74 2.15 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 0.76 0.91 0.00 0.00 31 Q 8.22 4.12 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 7.90 4.35 0.00 2.94 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 7.70 4.28 0.00 1.68 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.69 7.81 34 E 8.38 4.50 0.00 2.05 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 2.21 2.36 0.00 35 G 8.46 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.06 4.19 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 1.44 1.44 0.91 0.00 0.00 37 P 0.00 4.46 0.00 2.34 1.97 0.00 3.61 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 2.25 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 39 D 8.12 4.57 0.00 2.86 2.91 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 40 Q 8.26 4.51 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 8.07 4.90 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 42 R 9.11 4.78 0.00 1.81 1.79 0.00 3.08 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 43 L 8.48 5.23 0.00 1.54 1.52 0.90 0.80 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 8.84 5.05 1.91 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 1.13 1.04 0.93 0.00 0.00 45 F 9.19 5.07 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.39 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.72 4.62 0.00 1.92 1.69 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.33 7.81 49 Q 8.45 4.56 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.66 4.14 0.00 1.42 1.33 0.72 -0.18 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 51 E 9.40 4.39 0.00 2.04 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 2.45 2.53 0.00 52 D 9.16 4.38 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 53 G 8.00 3.89 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 0.00 0.00 0.00 54 R 7.82 4.47 0.00 2.14 1.62 0.00 3.07 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 55 T 8.41 4.92 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.65 4.04 0.00 1.86 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.09 0.00 3.92 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 58 D 7.92 4.25 0.00 2.73 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.55 0.00 3.10 2.99 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 60 N 7.96 4.10 0.00 2.89 3.00 0.00 0.00 7.10 7.53 0.00 0.00 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 7.86 3.80 1.79 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.49 0.54 0.00 0.00 62 Q 8.15 4.56 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 63 K 8.33 4.02 0.00 1.83 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 9.27 3.80 0.00 2.20 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 2.39 2.29 0.00 65 S 7.74 4.56 0.00 3.70 3.78 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 0.00 0.00 0.00 0.00 66 T 8.71 5.20 4.37 0.00 0.00 0.00 0.00 0.00 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 67 L 9.13 4.97 0.00 1.56 1.60 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.25 5.33 0.00 3.10 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.77 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 4.99 0.00 1.62 1.58 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.80 4.44 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 0.99 0.00 0.00 0.94 0.00 0.00 71 L 8.57 4.93 0.00 1.57 1.61 0.93 0.91 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 72 R 8.73 4.47 0.00 1.74 1.77 0.00 3.31 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 73 L 8.62 4.31 0.00 1.68 1.56 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.06 4.12 0.00 1.82 1.91 0.00 3.33 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 75 G 8.73 3.79 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 0.00 0.00 0.00 76 G 8.43 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 0.00 0.00 0.00