NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4205 8.3449 120.8383 60.1110 33.0062 173.9938 2 S 3.4450 8.9413 116.9196 55.9739 63.9292 174.6819 3 N 4.0720 9.0910 124.5356 54.8806 40.3370 174.1920 4 E 4.7863 7.2969 117.5031 56.4365 34.4719 175.3128 5 K 4.7807 8.1502 116.6451 57.5848 34.3121 178.6143 6 A 4.2549 8.5727 124.3463 54.6092 16.9904 180.0208 7 R 4.4352 9.1417 122.2138 56.5787 32.2001 176.1457 8 D 4.7947 7.9364 116.9003 53.4360 42.1362 176.0742 9 W 4.0163 8.1943 120.1326 57.0514 29.3208 176.3441 10 H 4.3315 8.8716 122.8884 55.5345 29.1582 176.4328 11 R 3.9989 8.9992 116.3326 59.5835 28.9831 178.5086 12 A 4.3131 8.0006 120.2662 54.2552 18.5881 178.9329 13 D 4.6181 8.0394 116.9872 57.0139 40.7703 178.7440 14 V 3.7775 7.8647 119.2503 65.9555 31.6086 178.1893 15 I 3.7414 7.5752 117.7664 64.2713 36.8931 178.1857 16 A 4.1323 8.2340 120.7851 55.1979 18.6101 179.6898 17 G 3.8155 7.8694 103.4172 48.1993 0.0000 175.7081 18 L 4.0163 8.2705 122.6136 57.1021 41.5749 179.3835 19 K 4.4572 8.6224 120.8821 57.8706 32.2294 177.9717 20 K 3.9974 7.6232 118.3805 58.5334 32.1292 177.0609 21 R 4.0550 8.5599 117.4311 56.7074 29.3447 178.0892 22 K 4.6562 8.5521 121.9456 56.0484 34.5439 175.5611 23 L 4.9363 7.7201 118.6561 53.0815 45.3070 176.5201 24 S 4.8859 8.2758 114.5654 55.8079 66.0428 174.9202 25 L 3.9921 8.9825 124.4899 58.5134 41.0917 179.9908 26 S 4.2329 8.1649 114.0350 61.0939 62.7323 176.4060 27 A 4.0896 8.6354 124.0602 55.1190 18.2046 179.6909 28 L 4.1356 7.9719 116.9609 57.8967 41.7633 179.4762 29 S 4.1450 8.3203 113.6878 61.4691 62.2993 176.3436 30 R 4.1192 7.7365 117.6805 58.7392 29.3930 178.2978 31 Q 3.9923 8.2375 118.6995 58.1924 28.6824 177.4669 32 F 4.3413 8.0912 117.3212 57.3292 40.2293 175.6400 33 G 3.6595 7.9475 109.9979 46.0430 0.0000 174.3757 34 Y 4.2540 6.9957 116.8863 57.9934 37.8919 176.5730 35 A 4.2658 8.8320 127.3166 51.5581 19.3852 176.2547 36 P 4.7484 0.0000 0.0000 65.6449 31.0820 178.7799 37 T 3.8668 7.9690 109.0400 65.4958 68.2978 175.6802 38 T 3.7416 7.3965 116.2535 66.1004 68.5019 175.4731 39 L 4.2834 8.0873 121.8258 59.3258 42.5046 178.4094 40 A 4.0019 8.7750 120.4557 55.3139 18.1715 178.0715 41 N 4.4207 8.7833 112.8602 54.6207 39.2587 176.3879 42 A 4.4683 7.8447 121.0917 54.2030 18.5303 178.2836 43 L 4.3862 7.7850 115.1636 55.7080 42.3688 177.3742 44 E 4.5321 7.9097 115.5525 56.9936 32.1068 176.8965 45 R 4.0561 7.9353 117.6172 55.5504 30.6259 175.3708 46 H 4.1637 8.8616 118.3946 56.5664 28.1275 175.3452 47 W 5.0818 7.9510 134.8462 54.9727 32.0034 173.1117 48 P 4.2077 0.0000 0.0000 64.5312 30.9682 177.8343 49 K 3.6982 7.0327 117.7701 58.8261 32.0307 178.4758 50 G 2.4284 5.5275 105.8795 46.8248 0.0000 175.6819 51 E 3.8946 7.2342 120.3223 59.1513 29.4056 179.0622 52 Q 3.9075 7.4251 117.8370 58.7014 28.4309 178.7465 53 I 3.3503 6.6824 119.6590 64.3530 37.4581 178.2589 54 I 3.8401 7.5647 119.5132 64.5026 37.2401 178.2435 55 A 3.9355 8.3420 121.9509 55.1455 18.1460 178.9548 56 N 4.2021 8.7809 115.7839 56.8873 38.6496 176.8772 57 A 4.0761 7.7855 121.3665 54.8527 18.3375 178.6761 58 L 4.3292 7.7365 114.9980 53.9143 41.5103 177.2082 59 E 3.7858 7.7217 116.7335 57.3410 27.8157 174.0569 60 T 4.6630 7.1837 113.0156 60.3125 69.9801 173.1374 61 K 4.6078 8.0270 119.2870 53.9775 34.3873 175.8223 62 P 4.3641 0.0000 0.0000 65.9252 30.8554 178.1810 63 E 4.2009 8.0005 116.6394 58.2482 29.3702 178.1225 64 V 3.9740 7.7120 118.1787 64.7494 32.0356 177.1552 65 I 2.3352 7.1456 118.2626 60.7258 36.7742 174.9317 66 W 5.1419 7.8562 119.6814 54.1870 29.1732 173.6807 67 P 4.3740 0.0000 0.0000 65.6553 31.8057 179.3230 68 S 4.3550 8.1619 111.6560 58.7857 62.3100 174.6774 69 R 4.3065 8.3244 118.3789 57.3902 31.1206 175.4542 70 Y 4.6419 6.9966 114.2191 57.0309 40.5398 175.4218 71 Q 4.2662 8.7918 119.5478 56.8744 29.4806 174.0950 72 A 3.7363 8.8993 124.1513 52.1166 16.9544 177.3390 73 G 3.8539 7.9466 104.6870 45.7338 0.0000 173.7202 74 E 4.0918 8.4471 118.7508 56.1244 29.6706 175.7593 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 C 8.34 4.42 0.00 2.95 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 2 S 8.94 3.44 0.00 4.11 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 3 N 9.09 4.07 0.00 2.93 2.04 0.00 0.00 6.67 7.66 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 4 E 7.30 4.79 0.00 2.06 1.89 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 2.27 2.30 0.00 5 K 8.15 4.78 0.00 1.85 1.79 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 6 A 8.57 4.25 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.14 4.44 0.00 1.86 2.02 0.00 3.40 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 8 D 7.94 4.79 0.00 2.73 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 9 W 8.19 4.02 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 10 H 8.87 4.33 0.00 3.18 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.00 4.00 0.00 2.10 2.28 0.00 2.99 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 12 A 8.00 4.31 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 13 D 8.04 4.62 0.00 2.86 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 14 V 7.86 3.78 2.32 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 1.10 0.00 0.00 1.07 0.00 0.00 15 I 7.58 3.74 1.92 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 1.51 0.80 0.95 0.00 0.00 16 A 8.23 4.13 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 17 G 7.87 3.82 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 0.00 18 L 8.27 4.02 0.00 1.83 1.73 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.62 4.46 0.00 1.79 1.95 0.00 1.69 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 20 K 7.62 4.00 0.00 2.08 1.93 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 21 R 8.56 4.06 0.00 1.83 1.71 0.00 3.25 0.00 0.00 3.24 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 22 K 8.55 4.66 0.00 1.71 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.47 7.81 23 L 7.72 4.94 0.00 1.69 1.56 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.28 4.89 0.00 3.98 3.94 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 25 L 8.98 3.99 0.00 1.77 1.87 0.99 1.03 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 26 S 8.16 4.23 0.00 3.90 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 27 A 8.64 4.09 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 28 L 7.97 4.14 0.00 1.82 1.88 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.32 4.14 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.74 4.12 0.00 1.99 2.08 0.00 3.14 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.67 0.00 31 Q 8.24 3.99 0.00 2.33 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 32 F 8.09 4.34 0.00 2.93 2.84 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 33 G 7.95 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 0.00 0.00 0.00 34 Y 7.00 4.25 0.00 3.20 2.98 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 0.00 0.00 0.00 35 A 8.83 4.27 1.31 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 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.75 0.00 2.32 2.38 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 37 T 7.97 3.87 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 1.23 0.00 0.00 38 T 7.40 3.74 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 39 L 8.09 4.28 0.00 1.81 1.85 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.78 4.00 1.42 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 0.00 0.00 0.00 41 N 8.78 4.42 0.00 2.82 2.83 0.00 0.00 7.32 8.07 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 42 A 7.84 4.47 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.78 4.39 0.00 1.74 1.89 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.91 4.53 0.00 1.92 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 2.26 2.28 0.00 45 R 7.94 4.06 0.00 1.84 1.91 0.00 3.14 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 46 H 8.86 4.16 0.00 3.26 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 7.95 5.08 0.00 3.15 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 48 P 0.00 4.21 0.00 2.07 2.03 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 49 K 7.03 3.70 0.00 1.42 0.96 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.24 7.81 50 G 5.53 2.43 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 0.00 0.00 0.00 0.00 51 E 7.23 3.89 0.00 1.87 1.78 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 1.68 1.90 0.00 52 Q 7.43 3.91 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 53 I 6.68 3.35 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.25 0.50 0.00 0.00 54 I 7.56 3.84 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.90 0.00 0.00 55 A 8.34 3.94 1.32 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 0.00 0.00 0.00 56 N 8.78 4.20 0.00 2.74 3.09 0.00 0.00 7.07 8.77 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 57 A 7.79 4.08 1.42 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 0.00 0.00 0.00 58 L 7.74 4.33 0.00 1.67 1.65 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.72 3.79 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 60 T 7.18 4.66 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 1.10 0.00 0.00 61 K 8.03 4.61 0.00 1.81 1.58 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 62 P 0.00 4.36 0.00 2.35 2.41 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 63 E 8.00 4.20 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.71 0.00 64 V 7.71 3.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 65 I 7.15 2.34 0.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.28 -1.44 0.00 0.00 66 W 7.86 5.14 0.00 3.67 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.37 0.00 2.32 2.38 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 68 S 8.16 4.36 0.00 3.91 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 69 R 8.32 4.31 0.00 1.98 1.71 0.00 3.41 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 70 Y 7.00 4.64 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 71 Q 8.79 4.27 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.18 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 72 A 8.90 3.74 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 73 G 7.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.45 4.09 0.00 1.90 1.78 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 2.19 2.24 0.00