NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3518 8.2649 123.5827 52.1252 18.8399 174.6226 3 K 4.2974 7.6187 118.8161 55.7147 35.3319 173.2820 4 E 4.6716 8.6350 118.0484 54.8215 34.2555 174.6895 5 L 4.7837 8.4140 122.8454 52.9931 45.1995 176.2750 6 R 4.5641 8.3504 121.7746 54.5191 31.9154 177.0527 7 C 4.4483 8.4127 117.4677 56.9975 40.8013 174.4327 8 Q 3.8948 8.8196 120.6520 58.2495 28.5173 177.3322 9 C 4.9314 8.5685 115.1125 55.2844 41.9005 173.5700 10 I 3.8964 8.4401 126.0894 62.0925 37.5394 175.5581 11 K 4.6618 7.8012 118.9640 54.4655 34.9914 173.4683 12 T 4.9251 8.0289 109.8500 60.2151 71.8512 171.8732 13 Y 4.6594 8.5720 122.5422 56.3599 39.3935 175.5433 14 S 4.8347 8.1557 123.8185 57.7763 63.8588 174.7238 15 K 4.0339 7.5474 122.5987 54.9967 33.3104 173.4424 16 P 2.9700 0.0000 0.0000 62.0755 31.7931 176.2757 17 F 4.9388 7.2304 115.0924 55.8890 40.8977 172.6345 18 H 5.0007 9.2007 118.4283 54.0355 32.0958 173.7822 19 P 4.6469 0.0000 0.0000 64.6042 31.4924 178.1086 20 K 3.9621 8.5592 118.8810 59.1642 32.2233 177.1172 21 F 4.5396 8.3021 115.8891 57.9760 39.4745 175.1437 22 I 4.4973 8.1100 122.8645 60.1809 37.8189 175.5020 23 K 4.7517 8.4027 122.9913 56.3232 35.0420 176.2536 24 E 4.7094 7.8738 120.0293 54.1745 32.9792 173.9969 25 L 4.8886 8.5684 127.8157 53.5145 45.0010 175.6653 26 R 4.6472 8.9341 122.9512 54.7438 34.5446 174.0838 27 V 4.7430 8.5673 123.6496 61.0665 34.2821 174.4023 28 I 4.4996 8.4564 128.7195 59.4125 39.5226 175.2788 29 E 4.6303 9.1580 128.2650 54.3544 30.9837 175.9118 30 S 4.0963 8.2175 117.0905 59.3504 63.3032 174.1905 31 G 4.3875 8.9767 114.1283 42.7851 0.0000 171.1247 32 P 4.5178 0.0000 0.0000 64.2183 31.1011 176.2033 33 H 4.8638 8.2075 112.9794 55.4477 30.7088 174.3531 34 C 4.7231 7.9550 119.8848 54.8472 46.1618 173.4971 35 A 4.8359 8.5706 128.8333 52.1334 19.7417 176.3638 36 N 4.8835 7.6325 118.2987 54.2211 43.4368 173.2328 37 T 5.1466 8.5434 117.5542 62.9091 73.1665 173.0762 38 E 4.5602 8.9061 123.7412 54.8128 34.1526 174.7162 39 I 4.5022 8.4138 125.3117 60.1322 38.2565 175.2159 40 I 4.6509 8.9769 129.1867 60.5731 39.4453 175.3876 41 V 4.7443 8.1859 121.6031 60.5210 35.5520 173.5444 42 K 4.9830 8.9969 120.6654 54.6896 35.7164 175.6112 43 L 5.1793 8.9609 125.0920 52.6046 42.9905 177.9596 44 S 4.1804 9.0333 117.3672 61.6460 62.6680 175.4755 45 D 4.3762 8.0114 118.2925 54.5179 38.9872 176.6114 46 G 3.8196 8.6944 108.4298 46.1342 0.0000 173.2575 47 R 4.8416 7.9720 117.6356 53.8389 33.8628 174.9111 48 E 4.9726 8.4403 117.4865 54.9953 32.5083 174.5311 49 L 4.9592 8.4410 122.4850 53.0474 46.8489 174.1432 50 C 5.2555 8.5956 115.0969 55.6695 43.8842 173.8114 51 L 5.1562 8.5727 123.0249 53.1414 44.2635 175.8008 52 D 4.6859 8.2658 120.4816 51.9866 41.5637 175.2470 53 P 4.2185 0.0000 0.0000 63.9689 31.3269 177.3598 54 K 4.0693 7.8412 118.8115 57.5438 32.5509 176.2059 55 E 4.5516 7.9136 119.2467 55.0616 31.1481 176.8239 56 N 4.2832 8.6467 120.8121 56.0511 38.7509 177.7506 57 W 4.2584 8.0273 117.4338 59.1680 28.1573 178.4090 58 V 3.0104 6.2149 119.4664 65.5536 30.7586 177.6492 59 Q 3.9692 7.6133 118.9746 58.2696 28.7036 177.7728 60 R 3.9876 7.6046 119.5782 59.2711 30.4048 178.3671 61 V 3.6169 7.8883 112.0974 64.4217 31.5509 178.9189 62 V 3.7110 7.7744 117.9843 65.7840 31.3940 177.6627 63 E 3.9825 7.9482 118.9566 59.2692 29.4580 178.9709 64 K 3.9789 8.4787 118.9193 59.3364 32.1239 178.8735 65 F 4.2009 8.0844 120.9581 61.4725 39.2583 177.2664 66 L 3.7996 7.8958 117.9140 57.6940 41.6039 179.4897 67 K 3.9776 8.2041 119.3833 58.9114 32.0203 178.8819 68 R 3.8733 8.2322 119.4849 59.0980 29.9677 178.2192 69 A 3.8642 7.8034 119.3440 54.3856 18.2617 178.8262 70 E 4.0081 7.7583 117.5788 59.1845 29.9402 177.9619 71 N 4.4081 7.8032 115.4979 56.1483 39.0537 175.0750 72 S 4.3489 7.7800 118.5844 58.6208 62.6161 173.4244 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 2 A 8.26 4.35 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 3 K 7.62 4.30 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.59 7.81 4 E 8.63 4.67 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 5 L 8.41 4.78 0.00 1.59 1.56 1.00 0.97 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 6 R 8.35 4.56 0.00 1.81 1.85 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 7 C 8.41 4.45 0.00 2.95 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 8 Q 8.82 3.89 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 C 8.57 4.93 0.00 3.22 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.44 3.90 1.89 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 1.31 0.52 0.92 0.00 0.00 11 K 7.80 4.66 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 12 T 8.03 4.93 4.37 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 1.32 0.00 0.00 13 Y 8.57 4.66 0.00 3.20 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.83 0.00 3.99 3.92 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 15 K 7.55 4.03 0.00 1.14 1.58 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.27 7.81 16 P 0.00 2.97 0.00 1.62 0.93 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.00 17 F 7.23 4.94 0.00 3.22 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 18 H 9.20 5.00 0.00 3.31 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.65 0.00 2.32 2.32 0.00 3.41 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 20 K 8.56 3.96 0.00 1.52 1.14 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.17 1.35 7.81 21 F 8.30 4.54 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 22 I 8.11 4.50 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.31 0.00 0.00 23 K 8.40 4.75 0.00 1.63 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 24 E 7.87 4.71 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 25 L 8.57 4.89 0.00 1.30 1.59 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.93 4.65 0.00 1.71 1.75 0.00 3.10 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 V 8.57 4.74 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 0.78 0.00 0.00 0.95 0.00 0.00 28 I 8.46 4.50 1.90 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 1.12 0.86 0.96 0.00 0.00 29 E 9.16 4.63 0.00 1.99 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 0.00 2.29 2.15 0.00 30 S 8.22 4.10 0.00 3.95 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 31 G 8.98 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 32 P 0.00 4.52 0.00 2.19 2.20 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.21 4.86 0.00 3.46 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.95 4.72 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.84 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 36 N 7.63 4.88 0.00 2.57 2.57 0.00 0.00 6.76 7.04 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 37 T 8.54 5.15 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 1.20 0.00 0.00 38 E 8.91 4.56 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 39 I 8.41 4.50 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.91 0.00 0.00 40 I 8.98 4.65 1.97 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 1.29 0.74 0.97 0.00 0.00 41 V 8.19 4.74 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 0.73 0.00 0.00 0.88 0.00 0.00 42 K 9.00 4.98 0.00 1.58 1.65 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.33 7.81 43 L 8.96 5.18 0.00 1.61 1.70 0.66 0.64 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 44 S 9.03 4.18 0.00 4.00 4.07 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 45 D 8.01 4.38 0.00 2.76 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 46 G 8.69 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 47 R 7.97 4.84 0.00 1.77 1.73 0.00 3.02 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 E 8.44 4.97 0.00 1.86 1.83 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 2.13 2.29 0.00 49 L 8.44 4.96 0.00 1.38 1.41 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.60 5.26 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 5.16 0.00 1.53 1.55 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.27 4.69 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 4.22 0.00 2.01 2.02 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 54 K 7.84 4.07 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 E 7.91 4.55 0.00 1.16 1.34 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 2.19 2.32 0.00 56 N 8.65 4.28 0.00 2.83 2.88 0.00 0.00 6.89 7.67 0.00 0.00 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 W 8.03 4.26 0.00 3.53 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 58 V 6.21 3.01 1.56 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 0.67 0.00 0.00 -0.77 0.00 0.00 59 Q 7.61 3.97 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 60 R 7.60 3.99 0.00 2.09 1.92 0.00 3.27 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 61 V 7.89 3.62 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 0.88 0.00 0.00 0.90 0.00 0.00 62 V 7.77 3.71 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 1.00 0.00 0.00 0.93 0.00 0.00 63 E 7.95 3.98 0.00 2.15 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 2.31 2.36 0.00 64 K 8.48 3.98 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 65 F 8.08 4.20 0.00 3.11 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.90 3.80 0.00 1.92 1.68 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.20 3.98 0.00 1.95 1.78 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 68 R 8.23 3.87 0.00 1.88 1.92 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 69 A 7.80 3.86 0.73 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 0.00 0.00 70 E 7.76 4.01 0.00 1.99 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 0.00 2.27 2.27 0.00 71 N 7.80 4.41 0.00 2.78 2.85 0.00 0.00 7.19 6.94 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 72 S 7.78 4.35 0.00 4.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00