NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5049 8.0276 120.5807 54.6341 43.7246 174.9494 2 K 4.8076 8.4730 124.1257 54.8101 35.3694 173.4435 3 C 5.5244 9.5612 122.5511 54.8533 45.2018 174.1175 4 K 4.6936 8.2212 117.8465 55.9199 33.0554 178.1248 5 K 4.5160 8.1214 122.5840 55.0940 34.3475 176.1919 6 L 4.0308 8.6161 118.3837 57.9741 41.7024 177.9780 7 V 4.2602 7.5792 118.1881 60.5112 33.2080 174.5390 8 P 4.7922 0.0000 0.0000 62.1523 30.3227 175.6484 9 L 4.5730 7.6321 116.6793 56.6110 47.6563 177.0780 10 F 4.8131 8.0302 116.0958 55.8301 40.8140 175.3513 11 S 5.2575 8.7106 116.9991 56.5614 65.9566 173.1101 12 K 4.7163 8.6792 121.4420 55.2528 36.1615 174.7533 13 T 5.4761 8.2808 121.7293 61.3769 69.8282 175.2029 14 C 4.3607 8.9682 124.5181 56.8231 41.1809 172.4036 15 P 4.4732 0.0000 0.0000 61.2464 32.1887 175.1523 16 A 4.1397 8.4023 120.6808 53.9355 18.4927 176.3400 17 G 4.2388 9.0094 113.3836 45.5985 0.0000 174.3161 18 K 4.6743 7.9049 118.9292 54.6231 33.8165 175.6186 19 N 5.1700 8.7891 118.7746 52.6584 41.1505 173.6588 20 L 4.9911 8.1853 118.2935 53.1235 46.5985 174.5589 21 C 5.4074 8.7805 117.4546 55.3566 37.2616 172.8388 22 Y 5.5626 8.6785 122.0826 55.1597 40.7840 174.8541 23 K 5.0616 9.0465 119.8531 55.6283 36.5899 174.3936 24 M 5.0294 8.9233 123.7928 53.7596 34.6202 174.5367 25 F 5.2875 8.1509 119.2937 55.9539 42.7115 172.7053 26 M 4.4874 8.6251 118.6701 53.8752 33.2379 177.6424 27 V 4.1360 7.7438 123.8562 60.6839 27.7337 173.7131 28 A 4.3595 7.6727 130.5519 53.0022 25.3718 176.5285 29 A 4.6172 7.8236 120.4421 49.6098 19.7374 174.7166 30 P 4.0364 0.0000 0.0000 65.9388 31.8802 177.0372 31 H 4.6144 8.0822 117.3490 55.7634 29.5641 175.0476 32 V 4.1747 7.1829 118.0340 60.0099 31.6344 173.2942 33 P 4.6545 0.0000 0.0000 62.2379 32.4381 175.7765 34 V 4.3406 8.3014 115.1925 63.9469 32.9377 175.3306 35 K 4.9257 7.9372 117.6492 54.8928 36.6956 174.9966 36 R 4.5793 8.3457 119.5570 55.4471 34.3477 174.7800 37 G 3.9355 6.8076 109.2872 46.1034 0.0000 171.2289 38 C 5.3961 8.6906 117.0106 56.1226 36.8039 172.9111 39 I 4.3206 8.3262 118.8429 61.2702 41.2790 173.7047 40 D 4.5296 8.9823 122.9986 55.1297 42.4621 176.1591 41 V 4.2355 7.3533 117.1836 59.4932 32.9450 175.8485 42 C 4.3178 8.7274 125.3875 55.6320 43.7221 171.4881 43 P 4.4109 0.0000 0.0000 61.8900 32.3033 175.2376 44 K 4.3488 8.1057 118.8839 55.7464 33.1548 175.7143 45 S 4.9231 8.3219 118.7530 57.0382 64.9030 173.4186 46 S 4.8945 7.9587 116.2321 56.4957 65.2971 173.8220 47 L 4.1493 8.3336 118.3466 56.1786 41.4730 177.2001 48 L 4.2051 7.4999 120.7630 55.7051 43.3457 176.6733 49 V 4.3770 7.0505 110.2346 60.0667 34.7525 174.3032 50 K 4.4805 7.6831 122.4132 55.0885 35.5967 174.5380 51 Y 5.3717 8.6561 125.5312 55.7725 38.9256 174.8615 52 V 4.2992 8.6142 124.8298 62.1141 33.2323 175.2430 53 C 6.1184 9.1524 124.4644 54.8443 37.6851 172.0202 54 C 5.1455 8.5817 114.8348 53.4368 44.9857 173.7357 55 N 5.2291 8.4172 117.6525 52.4952 36.9292 174.2880 56 T 4.7326 7.2636 106.0274 60.3836 72.5103 173.5544 57 D 4.3775 8.6002 122.6806 55.6634 41.8586 176.7422 58 K 3.8064 8.0642 122.0037 57.6312 30.3361 173.2306 59 C 4.4490 8.0615 114.0943 57.6071 43.0870 173.7283 60 N 4.4666 7.9524 121.0790 52.4649 37.2058 174.5717 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 L 8.03 4.50 0.00 1.63 1.72 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.47 4.81 0.00 1.78 1.89 0.00 1.25 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.48 7.81 3 C 9.56 5.52 0.00 2.86 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.69 0.00 1.64 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 5 K 8.12 4.52 0.00 1.91 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 6 L 8.62 4.03 0.00 1.63 1.78 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.58 4.26 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 1.21 0.00 0.00 0.96 0.00 0.00 8 P 0.00 4.79 0.00 2.21 2.09 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 9 L 7.63 4.57 0.00 1.71 1.57 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.03 4.81 0.00 3.05 2.93 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 11 S 8.71 5.26 0.00 3.89 3.81 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 12 K 8.68 4.72 0.00 1.91 1.63 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.47 7.81 13 T 8.28 5.48 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 1.29 0.00 0.00 14 C 8.97 4.36 0.00 2.96 3.15 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 0.00 15 P 0.00 4.47 0.00 2.23 2.21 0.00 3.75 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 2.08 1.97 0.00 16 A 8.40 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 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 0.00 0.00 0.00 0.00 18 K 7.90 4.67 0.00 1.78 1.95 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.39 7.81 19 N 8.79 5.17 0.00 2.56 2.76 0.00 0.00 6.91 7.86 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 20 L 8.19 4.99 0.00 1.75 1.57 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.78 5.41 0.00 2.89 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 22 Y 8.68 5.56 0.00 3.12 3.12 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 0.00 0.00 0.00 0.00 23 K 9.05 5.06 0.00 1.80 1.91 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.61 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.53 7.81 24 M 8.92 5.03 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.12 0.00 25 F 8.15 5.29 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.63 4.49 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 27 V 7.74 4.14 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 0.77 0.00 0.00 0.93 0.00 0.00 28 A 7.67 4.36 1.27 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 0.00 0.00 0.00 29 A 7.82 4.62 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 2.05 2.06 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 31 H 8.08 4.61 0.00 3.08 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.18 4.17 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 0.85 0.00 0.00 0.94 0.00 0.00 33 P 0.00 4.65 0.00 2.21 2.02 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 34 V 8.30 4.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 35 K 7.94 4.93 0.00 1.91 1.82 0.00 1.80 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.50 7.81 36 R 8.35 4.58 0.00 1.69 1.72 0.00 3.20 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 37 G 6.81 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 0.00 0.00 0.00 38 C 8.69 5.40 0.00 2.93 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.33 4.32 2.10 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 1.03 0.00 0.00 40 D 8.98 4.53 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 4.24 2.07 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 0.82 0.00 0.00 0.92 0.00 0.00 42 C 8.73 4.32 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 43 P 0.00 4.41 0.00 1.92 1.85 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 44 K 8.11 4.35 0.00 1.69 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.52 7.81 45 S 8.32 4.92 0.00 3.93 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 46 S 7.96 4.89 0.00 3.98 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 47 L 8.33 4.15 0.00 1.62 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.50 4.21 0.00 1.65 1.50 0.90 0.71 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 49 V 7.05 4.38 1.65 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 0.76 0.00 0.00 0.87 0.00 0.00 50 K 7.68 4.48 0.00 1.12 0.74 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.38 7.81 51 Y 8.66 5.37 0.00 2.91 2.93 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 52 V 8.61 4.30 2.30 0.00 0.00 0.00 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 1.18 0.00 0.00 53 C 9.15 6.12 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.58 5.15 0.00 2.95 3.13 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 55 N 8.42 5.23 0.00 2.84 2.91 0.00 0.00 5.85 7.72 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 56 T 7.26 4.73 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 57 D 8.60 4.38 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.81 0.00 1.84 1.80 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.34 7.81 59 C 8.06 4.45 0.00 3.07 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.47 0.00 2.77 2.78 0.00 0.00 5.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00