NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5605 8.1476 118.3251 55.2450 33.4822 173.5848 2 Q 4.8176 8.3132 118.7168 52.7833 31.2456 173.0480 3 I 4.1633 8.7969 116.9278 58.9614 41.7191 175.1323 4 F 5.4274 8.5288 120.2039 55.6479 42.6063 174.9419 5 V 4.8433 9.0775 121.7553 61.1284 34.4814 173.8836 6 K 5.1283 9.1258 130.1364 55.0599 34.4803 175.8415 7 T 4.7138 8.7932 118.0500 60.2223 70.9048 175.8689 8 L 4.0631 8.5237 121.5657 57.9658 41.6895 178.8660 9 T 3.9555 7.7739 106.6290 62.7766 68.8517 175.1383 10 G 3.9668 8.0859 111.1255 45.1414 0.0000 173.9502 11 K 4.2951 7.7348 119.6311 56.2138 32.9587 175.7199 12 T 5.1486 8.2626 117.8126 61.9234 71.1690 173.5302 13 I 4.5589 9.3077 127.3747 59.8743 39.8921 174.5455 14 T 5.1257 8.6093 123.1381 61.9261 70.4634 173.8351 15 L 4.8262 8.6849 125.0206 52.9281 46.1525 175.5835 16 E 4.4858 8.6967 120.6696 55.3097 30.5916 175.1893 17 V 4.7789 8.2957 118.5597 59.7242 35.7812 174.8489 18 E 4.6776 8.6789 118.0218 54.6316 33.5889 175.3494 19 P 4.2479 0.0000 0.0000 65.8028 31.5367 178.1715 20 S 4.4166 7.8891 109.6410 59.0462 63.6503 173.9323 21 D 4.5127 8.2851 123.6537 54.3235 41.4174 176.3464 22 T 4.6874 8.1599 113.7325 61.1195 71.4684 176.0153 23 I 3.7347 8.4790 122.4683 64.3347 37.0050 178.4266 24 E 3.9318 8.0828 119.8987 59.3670 29.4642 178.4878 25 N 4.3436 7.9689 116.7645 56.4665 39.0006 177.0995 26 V 3.5819 7.7195 119.8900 65.8821 31.5796 178.2071 27 K 4.2156 8.5021 119.4214 58.8124 31.7656 179.1568 28 A 4.0526 8.0688 121.1340 55.0623 18.1906 179.8983 29 K 3.9142 8.2105 117.0088 59.6222 32.0559 179.5680 30 I 3.6700 7.7795 120.1275 64.4909 37.0049 178.2223 31 Q 4.1604 8.3805 122.0482 58.6505 28.6192 177.9771 32 D 4.3559 8.0498 119.3212 57.4331 40.9806 178.5800 33 K 4.1996 8.1495 117.4683 58.2940 32.4169 178.2612 34 E 4.5643 8.6549 116.7977 55.4545 30.9425 177.2706 35 G 3.9276 8.0948 106.5015 45.0950 0.0000 173.4060 36 I 3.9693 7.4003 121.5987 59.9395 38.0074 173.8782 37 P 4.4042 0.0000 0.0000 61.7308 32.1898 175.5073 38 P 4.2646 0.0000 0.0000 65.7714 31.4063 178.5837 39 D 4.3741 8.0786 115.7358 56.0435 39.5260 177.1742 40 Q 4.2191 7.9906 117.8381 56.9724 29.1443 175.1395 41 Q 4.9099 8.0923 118.4118 54.8112 30.9695 175.1665 42 R 4.7938 8.6346 120.4855 54.7332 34.9429 173.9980 43 L 5.3331 8.6229 122.7850 53.0130 45.3068 175.3463 44 I 5.1697 8.7073 122.6344 59.5785 41.3811 174.4040 45 F 5.0353 8.9331 127.8167 56.6619 42.5594 174.3119 46 A 3.3614 8.7400 129.8657 53.3171 15.4179 177.6891 47 G 3.9125 7.9896 106.2660 45.7807 0.0000 173.1653 48 K 4.6282 7.5858 119.0139 54.2743 34.7498 174.8963 49 Q 4.6384 8.4114 123.1487 55.6765 30.0525 174.8524 50 L 4.1311 8.6005 126.9346 53.6749 42.4133 176.4311 51 E 4.2412 9.1913 124.0820 56.0367 30.6360 177.6188 52 D 4.2707 9.1948 124.1121 57.6888 41.3352 179.2650 53 G 3.6265 8.2882 106.2025 48.6215 0.0000 174.2485 54 R 4.0482 7.4978 119.9150 56.1258 30.8603 176.0848 55 T 4.9982 8.3914 109.9622 59.6021 71.2750 175.6167 56 L 4.0325 8.8375 122.8481 58.1116 42.1542 180.1041 57 S 4.1253 8.4538 113.4280 61.2859 62.4338 175.8609 58 D 4.3364 8.0504 119.1512 56.6059 40.6038 176.5791 59 Y 4.5705 7.8193 114.7020 56.7881 38.2263 175.0025 60 N 4.1960 7.5840 115.3303 54.2277 36.8760 174.4387 61 I 4.0088 7.5669 117.5282 60.1643 38.5612 175.7792 62 Q 4.6776 8.1699 122.9524 52.8698 32.0826 174.7735 63 K 3.8455 8.3627 117.5475 58.7628 32.4212 176.9579 64 E 3.8561 8.5334 119.5042 56.6485 29.6617 174.7968 65 S 4.5337 7.7168 114.1404 59.8534 64.2982 173.1592 66 T 5.1372 8.6891 118.6816 62.0672 70.5406 173.8220 67 L 4.8825 9.4142 127.2073 53.6098 44.9394 174.9747 68 H 5.3405 8.9011 117.6168 54.0509 31.6237 172.9024 69 L 5.0612 8.8284 125.6354 53.4746 43.8646 175.6957 70 V 4.5329 8.8627 125.5563 61.0793 34.8392 173.8838 71 L 5.8270 8.3051 126.4684 51.8437 44.2813 176.6012 72 R 4.1677 8.5797 120.3199 56.6479 29.6631 176.6177 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 4.56 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 2 Q 8.31 4.82 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 3 I 8.80 4.16 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.72 0.00 0.00 4 F 8.53 5.43 0.00 3.08 2.95 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 5 V 9.08 4.84 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 0.95 0.00 0.00 0.91 0.00 0.00 6 K 9.13 5.13 0.00 1.88 1.59 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 7 T 8.79 4.71 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 1.23 0.00 0.00 8 L 8.52 4.06 0.00 1.67 1.78 0.92 0.85 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 9 T 7.77 3.96 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 8.09 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 11 K 7.73 4.30 0.00 1.79 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 12 T 8.26 5.15 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 1.26 0.00 0.00 13 I 9.31 4.56 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 1.25 0.77 0.93 0.00 0.00 14 T 8.61 5.13 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 1.31 0.00 0.00 15 L 8.68 4.83 0.00 1.46 1.45 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.49 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 17 V 8.30 4.78 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 0.62 0.00 0.00 0.89 0.00 0.00 18 E 8.68 4.68 0.00 1.82 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 2.41 0.00 19 P 0.00 4.25 0.00 2.15 2.10 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 4.42 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 8.29 4.51 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.69 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 23 I 8.48 3.73 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.11 0.95 0.00 0.00 24 E 8.08 3.93 0.00 2.19 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 2.32 0.00 25 N 7.97 4.34 0.00 2.85 2.93 0.00 0.00 6.86 8.93 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 26 V 7.72 3.58 2.19 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 0.93 0.00 0.00 0.92 0.00 0.00 27 K 8.50 4.22 0.00 2.03 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.30 7.81 28 A 8.07 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.91 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.78 3.67 2.17 0.00 0.00 0.85 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 0.86 0.95 0.00 0.00 31 Q 8.38 4.16 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 32 D 8.05 4.36 0.00 2.83 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 8.15 4.20 0.00 1.72 1.86 0.00 1.66 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 1.45 1.62 7.81 34 E 8.65 4.56 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 35 G 8.09 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 36 I 7.40 3.97 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 0.84 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.17 1.96 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.08 4.37 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 40 Q 7.99 4.22 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 8.09 4.91 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 42 R 8.63 4.79 0.00 1.88 1.76 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 43 L 8.62 5.33 0.00 1.51 1.49 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.71 5.17 1.92 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 1.12 1.01 0.97 0.00 0.00 45 F 8.93 5.04 0.00 2.97 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 46 A 8.74 3.36 0.97 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 47 G 7.99 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 48 K 7.59 4.63 0.00 1.94 1.74 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.54 7.81 49 Q 8.41 4.64 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 50 L 8.60 4.13 0.00 1.34 1.18 0.68 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.19 4.24 0.00 2.08 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 2.52 0.00 52 D 9.19 4.27 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 8.29 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 0.00 0.00 0.00 54 R 7.50 4.05 0.00 1.98 1.71 0.00 3.12 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 55 T 8.39 5.00 4.47 0.00 0.00 0.00 0.00 0.00 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 8.84 4.03 0.00 1.82 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.45 4.13 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 8.05 4.34 0.00 2.63 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.57 0.00 2.92 3.01 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 60 N 7.58 4.20 0.00 2.96 2.92 0.00 0.00 6.85 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 61 I 7.57 4.01 1.77 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 -0.11 0.45 0.49 0.00 0.00 62 Q 8.17 4.68 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 63 K 8.36 3.85 0.00 1.82 1.80 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 64 E 8.53 3.86 0.00 2.19 2.24 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 2.36 2.71 0.00 65 S 7.72 4.53 0.00 3.74 3.66 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 66 T 8.69 5.14 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 9.41 4.88 0.00 1.51 1.56 0.80 -0.48 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 68 H 8.90 5.34 0.00 3.22 3.19 0.00 5.59 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 8.83 5.06 0.00 1.62 1.57 0.98 0.90 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 70 V 8.86 4.53 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 8.31 5.83 0.00 1.54 1.54 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.58 4.17 0.00 1.69 1.85 0.00 3.24 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00