NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8318 8.0501 120.3732 62.7159 32.6268 174.6441 2 A 4.5607 7.2741 128.9292 49.3559 21.2401 175.2005 3 Y 4.6899 8.1923 118.3863 57.0733 39.0510 174.3744 4 W 5.0900 6.5485 115.2923 56.7146 30.8738 178.0457 5 R 4.3524 6.6971 121.5009 57.4621 29.0113 176.1163 6 Q 4.0101 8.9445 126.5539 57.8352 28.4070 174.9788 7 A 4.0417 7.7516 118.6887 54.3190 19.2347 177.3733 8 G 4.1989 8.0121 104.8649 46.7574 0.0000 174.7772 9 L 4.6631 7.6394 118.8266 52.6040 44.4794 175.8710 10 S 4.4541 8.5507 121.2944 58.0500 64.0085 174.3879 11 Y 3.5007 9.0120 123.0163 61.6582 38.1710 178.1513 12 I 3.5962 8.1158 118.3280 65.2183 37.1083 177.3368 13 R 3.8722 8.2401 118.3689 60.6024 29.9070 177.4565 14 Y 3.4853 7.7232 118.2533 60.1266 38.1842 177.5445 15 S 4.0638 8.1400 116.4099 62.2220 62.8172 176.2893 16 Q 3.9949 8.4432 122.5552 59.0130 28.6106 178.0445 17 I 3.6463 8.1664 121.2436 64.5795 37.1592 177.6395 18 C 3.9758 7.8091 117.5344 62.5227 27.8915 175.4707 19 A 3.9756 7.9204 121.9009 55.4762 17.9168 179.2455 20 K 3.9736 7.4069 113.5015 58.2400 32.5152 177.3102 21 A 4.5525 8.1358 120.2129 54.1125 20.3735 178.7796 22 V 3.5637 7.6036 115.4997 66.2126 31.7503 178.0753 23 R 4.1002 7.9946 117.1167 59.1931 29.9927 178.4570 24 D 4.4661 8.0365 117.0645 55.9349 42.1556 177.3757 25 A 4.5637 7.4357 123.5995 49.8964 16.0043 174.4962 26 L 4.7076 7.1809 122.4846 53.1621 47.2057 175.5261 27 K 4.8091 8.2594 118.5769 57.0472 33.7906 176.0958 28 T 4.2944 8.5012 111.7998 65.1640 69.4575 175.6525 29 E 3.9085 8.2384 121.3652 58.0953 29.8876 176.0639 30 F 4.5426 7.7260 115.7708 56.3647 41.1245 172.8604 31 K 4.3072 8.1174 130.1515 56.5856 35.1811 175.9865 32 A 4.2371 8.3337 119.9439 53.8559 18.5365 177.1185 33 N 4.8946 8.0628 111.7039 52.6022 40.8019 175.8154 34 A 4.4120 7.8046 118.8379 53.4655 19.5305 179.0409 35 M 4.1377 7.8786 116.4625 58.3843 32.4205 178.1313 36 K 4.0439 8.0478 116.6045 59.1445 32.5105 177.6190 37 T 4.0995 7.1088 113.0476 63.7768 69.2019 171.9754 38 S 4.1009 8.3873 120.8647 57.8004 63.6325 169.2542 39 G 4.2340 7.8055 108.7592 44.0206 0.0000 173.2827 40 S 4.7674 7.9046 115.5139 57.6835 62.7765 176.0000 41 T 4.0423 7.7835 109.7272 65.4265 68.1427 174.8856 42 I 4.2993 7.8527 123.1034 59.8475 38.8014 174.4270 43 K 4.6527 8.2076 122.3904 54.8957 34.9275 176.3420 44 I 4.4779 7.7590 119.5245 59.2175 37.0849 173.9203 45 V 3.9689 7.7622 121.3022 61.9981 32.2970 175.6203 46 K 4.6001 8.3665 124.3475 56.2950 33.6046 176.2579 47 V 3.7245 8.0686 124.4344 63.9098 31.2637 175.6239 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 V 8.05 3.83 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 0.89 0.00 0.00 0.87 0.00 0.00 2 A 7.27 4.56 0.74 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 3 Y 8.19 4.69 0.00 3.05 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 4 W 6.55 5.09 0.00 3.38 2.82 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 5 R 6.70 4.35 0.00 1.41 1.60 0.00 3.45 0.00 0.00 3.29 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.15 0.00 6 Q 8.94 4.01 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 7 A 7.75 4.04 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 8 G 8.01 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 0.00 0.00 0.00 9 L 7.64 4.66 0.00 1.64 1.88 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.55 4.45 0.00 4.12 4.05 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 11 Y 9.01 3.50 0.00 3.06 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 12 I 8.12 3.60 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.73 0.94 0.00 0.00 13 R 8.24 3.87 0.00 1.91 2.02 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 14 Y 7.72 3.49 0.00 1.93 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 0.00 0.00 0.00 15 S 8.14 4.06 0.00 3.95 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 16 Q 8.44 3.99 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 17 I 8.17 3.65 1.69 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 1.68 1.10 0.83 0.00 0.00 18 C 7.81 3.98 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.92 3.98 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 20 K 7.41 3.97 0.00 1.77 1.99 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 21 A 8.14 4.55 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 22 V 7.60 3.56 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 0.91 0.00 0.00 0.93 0.00 0.00 23 R 7.99 4.10 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 24 D 8.04 4.47 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.56 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 26 L 7.18 4.71 0.00 1.62 1.78 0.95 0.93 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 27 K 8.26 4.81 0.00 1.85 1.74 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.37 1.60 7.81 28 T 8.50 4.29 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 1.20 0.00 0.00 29 E 8.24 3.91 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.24 0.00 30 F 7.73 4.54 0.00 2.98 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 31 K 8.12 4.31 0.00 1.94 1.74 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.35 7.81 32 A 8.33 4.24 1.24 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 33 N 8.06 4.89 0.00 2.79 2.83 0.00 0.00 6.92 8.09 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 34 A 7.80 4.41 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 35 M 7.88 4.14 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.63 0.00 36 K 8.05 4.04 0.00 1.72 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 37 T 7.11 4.10 4.28 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 1.22 0.00 0.00 38 S 8.39 4.10 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 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 0.00 0.00 0.00 0.00 40 S 7.90 4.77 0.00 3.98 4.02 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 41 T 7.78 4.04 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 42 I 7.85 4.30 1.87 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 1.18 0.80 0.91 0.00 0.00 43 K 8.21 4.65 0.00 1.65 1.69 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.47 7.81 44 I 7.76 4.48 1.87 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 1.30 1.06 0.91 0.00 0.00 45 V 7.76 3.97 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 0.85 0.00 0.00 0.93 0.00 0.00 46 K 8.37 4.60 0.00 1.84 1.80 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 V 8.07 3.72 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 0.77 0.00 0.00 0.93 0.00 0.00