NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 4.0015 8.3549 109.7367 44.8512 0.0000 173.8135 -1 S 4.3637 7.6297 115.4621 56.6623 66.9439 172.2017 0 S 3.5980 8.7100 117.0739 59.4046 61.5607 171.1157 1 G 4.0048 7.8580 106.2981 43.5964 0.0000 173.0639 2 S 4.4328 8.3571 112.8431 56.6492 63.3745 173.8064 3 S 4.4734 9.7744 125.5929 58.6011 61.9134 171.1444 4 G 3.3740 8.0261 109.2177 43.7574 0.0000 171.3724 5 V 4.3231 8.0490 119.7637 59.8191 33.4705 175.3002 6 E 4.7965 8.3192 122.2400 54.3051 33.0268 176.9086 7 L 3.9681 8.7611 123.2892 58.4706 42.1471 179.0236 8 H 4.0239 8.1734 114.2455 59.0717 28.7994 176.2199 9 K 4.0199 7.5809 116.4916 59.4120 32.0476 178.0071 10 L 4.0273 7.8785 117.6109 54.9579 42.0701 177.9942 11 K 4.3730 8.3048 121.7272 55.0946 34.7550 177.8990 12 L 3.9049 8.3938 120.3529 58.6812 41.8228 178.6526 13 A 4.0186 7.9481 120.0464 55.1487 18.3733 179.3387 14 E 3.9095 8.0023 116.6227 59.4847 29.6452 179.3534 15 L 3.9738 8.1898 119.2878 57.8249 41.7295 179.7599 16 K 3.9644 8.1411 118.3889 59.3963 31.9330 179.1726 17 Q 3.9605 8.0927 119.8843 59.2166 28.9989 178.2309 18 E 3.9498 8.1300 119.5259 59.7063 29.4821 179.1734 19 C 4.0976 8.0451 116.7542 62.4834 28.2471 175.9892 20 L 3.8756 8.0019 121.8068 58.1512 41.5140 178.9507 21 A 4.0665 7.7021 119.4390 55.2164 18.3531 179.5409 22 R 3.9977 7.8222 116.0019 57.2434 30.3111 177.6498 23 G 3.8672 7.7548 105.1966 45.9302 0.0000 172.8601 24 L 4.4456 7.5869 119.2971 51.9725 44.2491 175.9340 25 E 4.1583 8.4145 120.8261 56.2474 29.2617 176.1225 26 T 4.3428 8.3079 119.6344 61.9795 69.4835 174.5484 27 K 4.4136 8.0139 120.1523 56.8512 35.4082 176.3114 28 G 3.7349 8.6245 105.3249 44.7228 0.0000 172.0790 29 I 4.4165 8.4532 114.0612 58.8125 41.3466 175.5732 30 K 3.8020 8.5279 119.1297 60.3603 31.7185 178.5701 31 Q 4.0420 8.0723 117.3794 59.0373 28.6193 178.4466 32 D 4.4076 7.9276 119.4856 57.2833 40.9486 178.6711 33 L 3.9763 8.0797 119.4909 57.7900 41.5633 179.6667 34 I 3.6778 7.8233 119.6954 64.6090 37.0976 177.7877 35 H 4.1374 8.6023 119.5237 59.5012 29.6405 177.2037 36 R 3.8996 8.0293 120.2976 59.2865 29.9089 178.4503 37 L 4.0446 7.9320 118.8324 57.8885 41.5557 179.5527 38 Q 3.9752 8.4465 118.0110 58.9721 28.6922 178.5300 39 A 4.1110 8.0288 121.7541 55.4936 18.3728 179.1250 40 Y 4.0290 8.1352 117.8912 60.6654 38.6505 178.0007 41 L 3.8011 7.8921 119.1952 57.6701 41.8461 178.9753 42 E 4.0586 8.1771 116.5911 59.3495 29.5223 178.5831 43 E 4.0465 7.8896 119.2530 58.8142 30.1113 178.3339 44 H 4.5964 8.1125 114.4949 54.3695 30.3988 175.6544 45 A 4.0523 7.5521 123.1160 52.8915 18.8798 178.0473 46 E 4.1654 8.6153 122.8037 58.8290 30.2896 177.3086 47 S 4.5157 7.6807 114.1025 57.2742 63.8610 174.6586 48 G 3.7764 8.3322 112.2575 44.8403 0.0000 173.0814 49 P 4.2132 0.0000 0.0000 64.2729 31.6816 174.2337 50 S 4.1089 6.9050 115.5640 58.2811 61.9629 173.7280 51 S 4.5808 8.4017 120.9557 57.6196 64.1314 174.4091 52 G 4.0275 8.6092 112.0552 45.7843 0.0000 173.4154 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 G 8.35 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 0.00 0.00 0.00 -1 S 7.63 4.36 0.00 3.89 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 S 8.71 3.60 0.00 3.91 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 1 G 7.86 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 0.00 0.00 0.00 2 S 8.36 4.43 0.00 3.79 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 3 S 9.77 4.47 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 4 G 8.03 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 0.00 0.00 0.00 5 V 8.05 4.32 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 0.72 0.00 0.00 0.94 0.00 0.00 6 E 8.32 4.80 0.00 2.02 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 2.33 2.31 0.00 7 L 8.76 3.97 0.00 1.58 1.67 0.90 1.12 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 8 H 8.17 4.02 0.00 3.11 3.43 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.58 4.02 0.00 2.08 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.47 7.81 10 L 7.88 4.03 0.00 1.76 1.61 0.92 0.83 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 11 K 8.30 4.37 0.00 1.80 1.75 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 12 L 8.39 3.90 0.00 1.75 1.67 0.92 0.90 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 13 A 7.95 4.02 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 14 E 8.00 3.91 0.00 2.24 2.01 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 2.40 2.34 0.00 15 L 8.19 3.97 0.00 1.81 1.70 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.14 3.96 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 17 Q 8.09 3.96 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 18 E 8.13 3.95 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 19 C 8.05 4.10 0.00 3.10 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 20 L 8.00 3.88 0.00 1.89 1.74 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.70 4.07 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 0.00 0.00 0.00 0.00 0.00 22 R 7.82 4.00 0.00 1.73 1.57 0.00 2.98 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 23 G 7.75 3.87 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 0.00 24 L 7.59 4.45 0.00 1.47 1.51 0.65 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.41 4.16 0.00 1.88 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 2.27 2.34 0.00 26 T 8.31 4.34 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 27 K 8.01 4.41 0.00 1.86 1.83 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.40 7.81 28 G 8.62 3.73 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 0.00 29 I 8.45 4.42 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 1.62 1.03 0.91 0.00 0.00 30 K 8.53 3.80 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 Q 8.07 4.04 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 32 D 7.93 4.41 0.00 2.99 2.72 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 0.00 0.00 0.00 0.00 33 L 8.08 3.98 0.00 1.85 1.70 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.82 3.68 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.84 0.00 0.00 35 H 8.60 4.14 0.00 3.34 3.32 0.00 5.61 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 36 R 8.03 3.90 0.00 2.13 1.90 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 37 L 7.93 4.04 0.00 1.94 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.45 3.98 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 39 A 8.03 4.11 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 0.00 0.00 0.00 0.00 0.00 40 Y 8.14 4.03 0.00 3.03 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 41 L 7.89 3.80 0.00 1.84 1.69 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.18 4.06 0.00 2.08 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 0.00 2.52 2.33 0.00 43 E 7.89 4.05 0.00 2.16 2.11 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 2.34 2.36 0.00 44 H 8.11 4.60 0.00 2.44 2.99 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.55 4.05 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 46 E 8.62 4.17 0.00 1.95 1.99 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 2.26 2.30 0.00 47 S 7.68 4.52 0.00 3.85 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 48 G 8.33 3.78 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 0.00 0.00 0.00 49 P 0.00 4.21 0.00 2.22 2.31 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 50 S 6.91 4.11 0.00 4.15 4.01 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 51 S 8.40 4.58 0.00 3.91 3.78 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 52 G 8.61 4.03 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 0.00 0.00 0.00