NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4776 8.1876 121.9545 56.0318 30.8011 173.7149 3 I 4.4836 8.1441 118.7960 58.5553 41.6107 173.1313 4 F 5.4477 9.1323 120.7819 55.6857 43.1404 176.0836 5 V 4.9231 8.8033 120.7421 61.1826 34.6934 174.2846 6 K 4.9587 9.1351 127.4562 54.8284 35.1641 175.9356 7 T 4.8828 8.2360 114.0100 59.3091 70.8575 174.8285 8 L 4.1239 8.7605 121.6906 57.6773 41.7003 178.0198 9 T 4.4531 7.4657 106.1848 60.5522 70.8391 172.9761 10 G 3.7417 8.5940 108.1158 44.0051 0.0000 173.2807 11 K 4.1317 8.1637 119.5045 56.3617 32.7412 176.1603 12 T 4.4151 8.2142 121.3002 63.4931 69.4343 174.2844 13 I 4.2874 8.7469 127.1987 60.9726 39.0202 174.8181 14 T 5.0122 8.5285 122.4178 61.9022 70.4343 173.6829 15 L 4.7804 8.7052 126.3357 52.9598 45.2674 175.1220 16 E 4.8670 8.5472 120.5780 54.9612 31.0550 175.8702 17 V 4.6587 8.1438 116.3749 59.9668 36.3469 173.8852 18 E 4.7688 9.2192 119.3279 53.8284 33.2176 175.4055 19 P 4.2051 0.0000 0.0000 65.8955 31.4718 178.5155 20 S 4.2906 7.9053 110.2714 59.5918 63.8086 174.2488 21 D 4.3884 8.1140 123.1402 54.6963 41.2144 176.4668 22 T 4.6153 8.2604 113.9227 61.3408 71.1794 175.7485 23 I 3.7447 8.5241 122.8418 64.4687 37.0273 178.4554 24 E 3.9587 8.1998 120.1502 59.3614 29.4418 178.6433 25 N 4.3457 8.2967 116.6531 56.2649 38.6391 177.5785 26 V 3.5946 7.7737 119.7166 65.9374 31.5458 178.3198 27 K 4.3543 8.4456 119.4310 58.8233 31.8584 179.2197 28 A 3.9847 8.1930 121.2129 55.0950 18.3708 179.8736 29 K 3.9975 8.0774 117.0603 59.4194 31.9968 179.7833 30 I 3.7323 7.6195 120.2468 64.3024 36.9877 177.9221 31 Q 4.0439 8.2864 120.6305 59.6357 28.5592 178.4973 32 D 4.3717 7.8231 118.6871 57.1379 40.8903 178.5179 33 K 4.2123 7.8017 118.1685 58.4773 32.2273 177.7663 34 E 4.5105 8.6217 115.5911 55.1291 31.7612 176.9593 35 G 3.9899 8.4381 106.9563 44.9584 0.0000 173.8732 36 I 3.8263 7.3485 120.7897 60.4457 37.7294 174.1623 37 P 4.4164 0.0000 0.0000 61.7049 32.1604 175.4323 38 P 4.2283 0.0000 0.0000 65.9191 31.3267 177.8596 39 D 4.5533 8.0452 114.6752 54.9405 39.7738 176.4979 40 Q 4.4412 8.2314 118.9772 55.8771 29.3510 174.3272 41 Q 4.9643 8.0307 118.7730 54.0884 31.4452 174.6642 42 R 4.7136 8.8467 122.6095 54.3312 33.1331 174.6849 43 L 5.2412 8.5196 123.2437 53.0439 44.7668 175.4799 44 I 5.1023 8.6942 123.0181 59.7003 41.8428 174.4777 45 F 4.8775 9.3594 127.7470 57.3240 42.8587 174.2063 46 A 3.5530 9.3202 130.5405 53.0822 15.8163 177.3249 47 G 3.9304 8.3720 107.1422 45.8381 0.0000 173.6998 48 K 4.5303 7.7381 119.5652 54.2070 34.4550 174.8904 49 Q 4.5662 8.5291 124.9137 55.6227 29.4890 175.3757 50 L 4.1105 8.6580 127.5348 54.6346 42.9034 176.2442 51 E 4.5964 9.0599 122.0178 54.9528 31.3551 176.8846 52 D 4.4104 9.1403 124.1969 57.6627 41.1045 179.4066 53 G 3.6519 8.0126 105.8779 47.8980 0.0000 174.0563 54 R 4.2728 7.8402 118.9428 55.9061 31.2436 175.7285 55 T 4.9962 8.1049 109.8534 60.0390 71.1344 175.9761 56 L 4.1456 8.4159 122.2379 57.9871 41.4170 180.0323 57 S 4.1273 8.2419 114.2293 61.7152 62.5771 176.3334 58 D 4.2138 7.7535 121.3850 56.6688 40.5655 177.4162 59 Y 4.5115 7.2725 113.4100 56.8970 38.5196 175.0530 60 N 4.2432 8.0933 116.4509 54.1205 36.8077 174.4601 61 I 3.6882 7.7048 119.2520 61.1389 37.4839 176.1480 62 Q 4.6307 8.2548 124.8547 53.3274 31.3770 174.8272 63 K 3.9700 8.2331 117.6715 58.5778 32.9198 176.9111 64 E 3.8962 9.0207 119.9076 56.9097 27.8108 175.0131 65 S 4.5869 7.6773 115.8510 59.1318 64.3094 173.1727 66 T 5.1893 8.6742 118.3965 62.0761 70.4486 173.8539 67 L 4.9858 9.0993 126.7195 53.7795 44.5749 175.0535 68 H 5.2598 9.1550 119.0610 54.0285 31.6654 173.0118 69 L 5.0906 9.1836 125.7683 53.3929 44.1608 174.9977 70 V 4.4042 8.7221 126.4074 61.0926 34.1083 174.6498 71 L 4.9228 8.5055 127.3741 53.7047 43.0299 176.5960 72 R 4.0264 8.7010 122.8280 56.4949 30.2036 176.9066 73 L 4.0821 8.5936 125.4143 57.6252 42.0074 177.9732 74 R 4.0733 7.8664 118.9477 55.8330 30.7649 176.6765 75 G 3.9453 8.3997 116.9917 45.0974 0.0000 173.5219 76 G 3.7226 8.6019 109.1687 45.9033 0.0000 173.5167 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 2 Q 8.19 4.48 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.65 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 3 I 8.14 4.48 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.87 0.81 0.00 0.00 4 F 9.13 5.45 0.00 2.98 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 8.80 4.92 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 1.06 0.00 0.00 0.94 0.00 0.00 6 K 9.14 4.96 0.00 1.50 1.59 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.28 7.81 7 T 8.24 4.88 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 1.27 0.00 0.00 8 L 8.76 4.12 0.00 1.66 1.79 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.47 4.45 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 8.59 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.16 4.13 0.00 1.71 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.52 7.81 12 T 8.21 4.42 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 1.26 0.00 0.00 13 I 8.75 4.29 2.00 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 1.37 0.89 0.92 0.00 0.00 14 T 8.53 5.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 15 L 8.71 4.78 0.00 1.47 1.48 0.89 0.97 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 16 E 8.55 4.87 0.00 1.79 1.83 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 2.18 2.22 0.00 17 V 8.14 4.66 2.12 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 0.67 0.00 0.00 0.86 0.00 0.00 18 E 9.22 4.77 0.00 1.89 1.75 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 2.19 2.37 0.00 19 P 0.00 4.21 0.00 2.15 2.11 0.00 3.57 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 2.10 2.08 0.00 20 S 7.91 4.29 0.00 3.96 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 21 D 8.11 4.39 0.00 2.80 2.63 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 22 T 8.26 4.62 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.52 3.74 2.21 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 1.81 1.25 0.92 0.00 0.00 24 E 8.20 3.96 0.00 2.12 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 2.40 0.00 25 N 8.30 4.35 0.00 3.05 2.84 0.00 0.00 6.65 7.20 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 26 V 7.77 3.59 2.21 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 1.01 0.00 0.00 0.95 0.00 0.00 27 K 8.45 4.35 0.00 2.01 1.84 0.00 1.83 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.53 7.81 28 A 8.19 3.98 1.37 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 0.00 0.00 29 K 8.08 4.00 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.56 7.81 30 I 7.62 3.73 2.16 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 0.68 0.95 0.00 0.00 31 Q 8.29 4.04 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 D 7.82 4.37 0.00 2.85 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 33 K 7.80 4.21 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.61 7.81 34 E 8.62 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 2.36 0.00 35 G 8.44 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 36 I 7.35 3.83 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 0.58 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.33 1.97 0.00 3.63 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 2.26 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.19 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.05 4.55 0.00 2.77 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 40 Q 8.23 4.44 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 Q 8.03 4.96 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 42 R 8.85 4.71 0.00 1.88 1.81 0.00 3.08 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 1.57 0.00 43 L 8.52 5.24 0.00 1.55 1.53 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 5.10 1.91 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 1.11 0.85 0.95 0.00 0.00 45 F 9.36 4.88 0.00 2.99 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 46 A 9.32 3.55 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 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 7.74 4.53 0.00 2.00 1.65 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.38 7.81 49 Q 8.53 4.57 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 L 8.66 4.11 0.00 1.45 1.31 0.70 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.06 4.60 0.00 2.08 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 2.32 2.39 0.00 52 D 9.14 4.41 0.00 2.72 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 8.01 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 54 R 7.84 4.27 0.00 2.00 1.70 0.00 2.82 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 55 T 8.10 5.00 4.40 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 1.24 0.00 0.00 56 L 8.42 4.15 0.00 1.91 1.72 0.91 0.90 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 57 S 8.24 4.13 0.00 4.02 4.20 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 0.00 0.00 0.00 0.00 58 D 7.75 4.21 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 7.27 4.51 0.00 3.14 2.94 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 0.00 0.00 0.00 60 N 8.09 4.24 0.00 2.94 2.95 0.00 0.00 6.98 7.06 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 61 I 7.70 3.69 1.79 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 -0.09 0.60 0.00 0.00 62 Q 8.25 4.63 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 63 K 8.23 3.97 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.48 7.81 64 E 9.02 3.90 0.00 2.26 2.42 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 2.27 2.49 0.00 65 S 7.68 4.59 0.00 3.73 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 66 T 8.67 5.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 67 L 9.10 4.99 0.00 1.58 1.60 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.16 5.26 0.00 3.07 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.18 5.09 0.00 1.71 1.66 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.72 4.40 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 0.95 0.00 0.00 71 L 8.51 4.92 0.00 1.57 1.58 0.93 0.98 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 8.70 4.03 0.00 1.94 2.00 0.00 3.27 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 1.62 0.00 73 L 8.59 4.08 0.00 1.66 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.87 4.07 0.00 1.77 1.84 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 75 G 8.40 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 76 G 8.60 3.72 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 0.00 0.00 0.00