NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5362 8.1885 115.5476 57.9929 65.4589 172.9944 6 A 5.1637 7.9717 121.0833 49.2077 21.3970 170.2973 7 V 4.7050 8.9014 112.7077 59.5079 37.3997 172.7250 8 K 4.9268 9.1809 122.7053 54.3841 35.0482 175.1065 9 A 4.5643 8.7221 129.7269 52.2294 18.9279 178.0391 10 L 4.1170 9.3631 122.0999 55.9542 42.6696 177.0332 11 F 4.8440 8.0805 115.0873 55.4776 43.0366 173.6061 12 D 4.8590 8.8486 122.7729 54.9582 41.4653 175.2868 13 Y 4.4090 8.7055 123.5832 55.3750 42.0782 173.6956 14 K 4.4584 7.0404 126.8179 53.8332 34.2327 175.3756 15 A 4.3760 8.4232 129.7180 53.0327 18.2407 177.2556 16 Q 4.3894 9.7647 121.0962 56.0398 30.1892 175.8318 17 R 4.7745 7.6800 115.6569 53.7115 34.1923 175.5348 18 E 3.9730 8.9392 120.3373 59.0419 29.7582 176.9776 19 D 5.0024 8.0964 117.2068 53.2835 40.0749 175.0624 20 E 5.6285 7.7335 117.8584 55.3123 32.7981 176.0924 21 L 4.6509 9.2104 122.5907 55.1966 42.9802 176.5533 22 T 4.8880 8.5971 116.6949 61.9049 71.5068 173.4415 23 F 5.0434 8.6452 120.3814 55.9767 41.9591 173.1796 24 T 5.0450 8.4110 109.2736 59.4212 71.5602 173.8129 25 K 3.9749 9.1400 124.0454 58.7445 32.4750 177.2991 26 S 4.2072 8.8667 120.5354 58.1433 62.0338 169.6462 27 A 4.1525 7.6511 122.8843 52.2623 19.3449 176.5639 28 I 4.5695 8.3563 122.0740 60.2059 38.5119 175.1878 29 I 4.5500 8.4323 128.8436 59.9288 39.0468 175.3154 30 Q 4.8073 8.9503 125.3192 53.8870 32.0545 174.8181 31 N 4.2989 8.6018 114.6510 54.3637 36.2005 175.3044 32 V 4.1251 8.4200 117.8161 63.1243 32.7796 175.2951 33 E 4.5062 9.4506 128.2425 54.5673 31.0463 175.4736 34 K 3.8600 8.2541 124.8672 55.8159 32.9320 176.6502 35 Q 4.6623 8.5278 120.1462 54.5137 31.5741 173.9810 36 D 4.4782 8.6087 118.8729 55.7298 41.2003 176.3255 37 G 3.7091 10.0494 109.7512 45.2603 0.0000 174.8959 38 G 3.8583 8.9594 109.0629 44.6402 0.0000 172.7765 39 W 5.0029 7.7312 118.0663 54.4575 32.5471 174.6508 40 W 5.3278 8.4954 122.6956 55.1321 32.5967 174.6838 41 R 5.0135 8.5049 120.5646 55.4919 32.1761 176.0039 42 G 4.3872 8.8791 108.0692 46.2756 0.0000 171.1374 43 D 5.6347 8.8701 119.9745 52.7204 43.3781 175.5243 44 Y 4.5878 9.1197 122.6550 57.0999 42.9368 174.5706 45 G 3.5082 8.5346 113.3728 46.5083 0.0000 174.8285 46 G 3.9319 8.4088 108.5787 44.6551 0.0000 174.5157 47 K 4.4528 7.9020 119.7549 55.1023 33.3359 175.7252 48 K 4.9071 8.3446 121.5589 55.8360 34.5850 176.2905 49 Q 3.4035 8.9650 123.5794 57.1780 26.9702 173.2693 50 L 4.6506 7.5857 116.0035 52.7165 45.1181 177.2831 51 W 5.4956 9.0616 121.1344 57.2028 30.4432 175.6605 52 F 5.3742 9.3875 117.3600 54.6969 41.5854 171.8960 53 P 3.4024 0.0000 0.0000 61.9472 31.7148 177.7282 54 S 3.3056 8.1463 118.0804 60.4902 62.8858 175.5075 55 N 4.4883 7.6025 116.0834 54.1713 37.2475 174.8783 56 Y 4.3543 8.0590 116.9487 58.8820 38.5469 175.0204 57 V 5.2096 7.5530 112.4864 59.4522 36.0086 174.3820 58 E 4.8756 9.3254 119.9794 54.6945 33.4357 175.8310 59 E 4.4068 8.6962 118.3416 56.5415 29.5715 176.1716 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 5 S 8.19 4.54 0.00 3.91 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.97 5.16 1.25 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 0.00 0.00 0.00 7 V 8.90 4.71 2.31 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 0.98 0.00 0.00 0.92 0.00 0.00 8 K 9.18 4.93 0.00 1.71 1.58 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.45 7.81 9 A 8.72 4.56 1.23 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 0.00 0.00 0.00 10 L 9.36 4.12 0.00 1.74 1.39 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.08 4.84 0.00 2.76 2.90 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 12 D 8.85 4.86 0.00 2.64 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 13 Y 8.71 4.41 0.00 2.47 1.43 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 14 K 7.04 4.46 0.00 1.51 1.29 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.28 7.81 15 A 8.42 4.38 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 16 Q 9.76 4.39 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 17 R 7.68 4.77 0.00 1.95 1.78 0.00 3.36 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 18 E 8.94 3.97 0.00 1.93 2.03 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 2.33 2.41 0.00 19 D 8.10 5.00 0.00 2.99 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 20 E 7.73 5.63 0.00 2.18 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 0.00 2.53 2.42 0.00 21 L 9.21 4.65 0.00 1.99 2.04 1.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.60 4.89 4.34 0.00 0.00 0.00 0.00 0.00 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 23 F 8.65 5.04 0.00 2.39 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 0.00 0.00 0.00 0.00 24 T 8.41 5.04 4.31 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 1.29 0.00 0.00 25 K 9.14 3.97 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.37 7.81 26 S 8.87 4.21 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 27 A 7.65 4.15 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 28 I 8.36 4.57 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.95 0.00 0.00 29 I 8.43 4.55 1.42 0.00 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.04 0.71 0.00 0.00 30 Q 8.95 4.81 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.29 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 31 N 8.60 4.30 0.00 2.97 2.87 0.00 0.00 6.89 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.42 4.13 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 0.95 0.00 0.00 1.21 0.00 0.00 33 E 9.45 4.51 0.00 1.82 1.81 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 2.22 2.50 0.00 34 K 8.25 3.86 0.00 1.23 1.13 0.00 1.28 0.00 0.00 1.06 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.59 7.81 35 Q 8.53 4.66 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 36 D 8.61 4.48 0.00 2.75 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 37 G 10.05 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 0.00 0.00 0.00 38 G 8.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.73 5.00 0.00 2.64 3.02 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 0.00 0.00 0.00 0.00 40 W 8.50 5.33 0.00 2.40 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 41 R 8.50 5.01 0.00 1.59 1.64 0.00 2.66 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 42 G 8.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 5.63 0.00 2.60 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 44 Y 9.12 4.59 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.53 3.51 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 0.00 0.00 0.00 0.00 46 G 8.41 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 47 K 7.90 4.45 0.00 2.07 1.81 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 48 K 8.34 4.91 0.00 1.70 1.70 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 49 Q 8.96 3.40 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 50 L 7.59 4.65 0.00 1.78 1.79 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.06 5.50 0.00 3.41 3.32 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 52 F 9.39 5.37 0.00 3.19 3.35 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 53 P 0.00 3.40 0.00 1.80 0.57 0.00 2.68 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.00 54 S 8.15 3.31 0.00 2.72 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 55 N 7.60 4.49 0.00 2.73 2.83 0.00 0.00 6.03 7.55 0.00 0.00 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 Y 8.06 4.35 0.00 3.34 3.37 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 57 V 7.55 5.21 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 0.62 0.00 0.00 1.23 0.00 0.00 58 E 9.33 4.88 0.00 1.98 2.03 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 2.28 2.26 0.00 59 E 8.70 4.41 0.00 1.91 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 2.38 2.44 0.00