NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4771 8.3601 120.3348 53.1132 40.6688 174.3279 2 A 4.1546 8.3777 123.1102 50.9975 17.5589 174.4356 3 E 3.9957 9.0763 122.5447 59.0586 30.9486 175.7579 4 F 4.5457 8.4858 118.4046 58.0918 42.8538 173.1227 5 R 3.5053 8.9106 131.1523 59.4439 27.7959 175.0182 6 H 4.1550 7.8954 106.2512 55.9129 28.3051 175.4320 7 D 4.5776 7.7711 118.7031 54.3239 39.7659 176.2354 8 S 4.3935 8.4495 115.0963 57.7609 64.2056 173.5812 9 G 4.3930 8.5365 121.6075 45.2713 0.0000 172.4915 10 Y 4.0711 8.1536 124.9914 58.1898 37.9417 175.8025 11 E 3.4896 7.0762 120.8660 55.8727 30.2258 176.8659 12 V 4.0783 6.4427 114.5891 60.3891 35.1937 173.8394 13 H 4.1925 8.2749 116.4013 58.7267 29.0885 175.4493 14 H 4.9669 7.5653 113.8910 54.7375 31.4630 175.6310 15 Q 3.7804 7.9594 119.0349 58.1854 28.3779 178.1387 16 K 4.3205 8.1915 122.3365 58.7823 32.1961 178.5715 17 L 4.1652 7.7957 120.0566 58.8222 40.4465 179.1290 18 V 3.5066 7.6416 118.8806 65.8040 31.2822 177.7087 19 F 4.6384 7.7391 118.6820 59.9983 38.6854 177.1574 20 F 4.2162 8.5369 119.9744 61.5010 39.0489 176.7718 21 A 3.1772 7.9968 120.3307 55.0704 17.7265 179.3184 22 E 3.8273 7.9837 116.6928 59.5960 29.5122 178.7841 23 D 4.3853 8.1296 118.0063 57.5690 41.1977 178.4819 24 V 3.5988 7.8099 118.5927 66.0331 31.2219 177.7803 25 G 3.7382 7.9559 104.3748 47.9887 0.0000 175.2956 26 S 4.2452 8.1478 117.0682 61.1190 63.0199 175.8764 27 N 4.1705 8.4225 121.3948 56.1359 38.2846 177.0471 28 K 4.0214 8.0541 120.7069 59.6403 32.2762 178.3715 29 G 3.5628 8.2408 105.5492 47.8740 0.0000 175.4203 30 A 4.0191 7.9563 123.5380 54.5042 18.3450 179.3192 31 I 3.6297 8.0255 118.5546 64.7798 37.2236 178.4254 32 I 3.7699 7.9660 120.4759 64.4145 36.8930 178.4596 33 G 3.7459 7.9391 106.1807 47.9601 0.0000 175.4418 34 L 3.9842 7.9467 120.6389 57.6732 41.7576 179.0543 35 M 4.1659 7.9339 117.2550 58.5442 32.0259 178.6735 36 V 3.7269 7.6767 116.6695 66.3803 32.5135 174.7561 37 G 3.8500 7.8799 104.4820 43.2266 0.0000 174.8719 38 G 3.6018 8.7779 113.9406 48.2634 0.0000 174.6860 39 V 4.2735 7.5276 117.9334 62.4255 32.0706 175.5969 40 V 4.0057 7.5182 123.5019 62.6646 31.6782 174.5567 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 D 8.36 4.48 0.00 2.84 2.86 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 2 A 8.38 4.15 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 3 E 9.08 4.00 0.00 2.13 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 0.00 2.33 2.38 0.00 4 F 8.49 4.55 0.00 3.09 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 5 R 8.91 3.51 0.00 1.05 1.26 0.00 3.29 0.00 0.00 3.02 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.00 6 H 7.90 4.15 0.00 3.32 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.77 4.58 0.00 2.93 3.09 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 0.00 0.00 0.00 0.00 8 S 8.45 4.39 0.00 4.05 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 9 G 8.54 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 10 Y 8.15 4.07 0.00 3.12 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 11 E 7.08 3.49 0.00 2.18 1.77 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 2.10 2.21 0.00 12 V 6.44 4.08 2.05 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 0.86 0.00 0.00 0.94 0.00 0.00 13 H 8.27 4.19 0.00 3.03 2.72 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.57 4.97 0.00 3.17 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.96 3.78 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 16 K 8.19 4.32 0.00 1.85 1.81 0.00 1.80 0.00 0.00 2.27 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.47 7.81 17 L 7.80 4.17 0.00 2.08 1.96 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.64 3.51 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 0.83 0.00 0.00 0.87 0.00 0.00 19 F 7.74 4.64 0.00 3.31 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 20 F 8.54 4.22 0.00 3.14 3.31 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 21 A 8.00 3.18 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.98 3.83 0.00 2.31 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 0.00 2.36 2.33 0.00 23 D 8.13 4.39 0.00 2.86 2.83 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 0.00 0.00 0.00 24 V 7.81 3.60 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 0.79 0.00 0.00 0.45 0.00 0.00 25 G 7.96 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 26 S 8.15 4.25 0.00 4.06 4.12 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 27 N 8.42 4.17 0.00 3.04 2.95 0.00 0.00 6.79 7.47 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 28 K 8.05 4.02 0.00 1.92 1.82 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 29 G 8.24 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.96 4.02 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 31 I 8.03 3.63 2.03 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 1.53 0.73 0.91 0.00 0.00 32 I 7.97 3.77 2.03 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 1.45 0.72 0.91 0.00 0.00 33 G 7.94 3.75 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 0.00 0.00 0.00 34 L 7.95 3.98 0.00 1.79 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 M 7.93 4.17 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 36 V 7.68 3.73 2.27 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 0.81 0.00 0.00 0.97 0.00 0.00 37 G 7.88 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 38 G 8.78 3.60 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 0.00 0.00 0.00 39 V 7.53 4.27 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 40 V 7.52 4.01 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 0.80 0.00 0.00 0.95 0.00 0.00