NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4149 8.3044 118.1960 55.0255 32.1086 174.5018 2 K 4.1892 7.7749 122.2019 56.2211 33.6469 175.0248 3 K 4.4190 8.7386 125.5415 55.4791 36.8124 172.7802 4 E 4.9167 8.8076 127.7134 54.4329 31.8623 174.6272 5 I 4.3830 8.7948 128.5058 59.7234 39.4406 174.2946 6 Q 4.8755 8.7046 128.8009 54.3832 30.6215 174.8481 7 V 4.3241 8.4218 126.7368 61.8639 34.4395 175.4944 8 Q 3.1879 8.4572 128.0727 57.5876 27.7365 175.9076 9 G 3.8323 8.9053 115.5316 46.7914 0.0000 172.8222 10 V 4.1789 7.7345 120.6924 60.8336 33.2653 174.2863 11 R 5.0185 8.1016 124.5782 54.6150 32.8844 174.2630 12 Y 4.6763 8.9395 122.4541 56.6646 40.0612 174.4669 13 Y 4.6363 9.0283 122.6919 57.2239 39.0779 174.9117 14 V 4.4363 9.0285 125.7936 61.2357 33.3478 175.6594 15 E 4.6836 9.1590 126.5098 55.4750 30.7886 174.5936 16 S 4.5429 7.2842 110.8578 57.0053 65.4986 175.8796 17 E 3.9280 8.4609 120.6177 59.2995 29.3653 178.1297 18 D 4.2855 7.6101 118.9201 57.3907 40.7934 178.5434 19 D 4.3511 7.7865 118.7957 57.0697 40.7213 178.7293 20 L 3.8547 7.5628 119.1397 57.5674 41.5979 179.3177 21 V 2.8812 7.1641 118.0331 65.9811 31.3467 178.0991 22 S 4.0099 7.5870 114.1643 61.6806 62.5911 177.0344 23 V 3.1355 7.7422 120.4879 65.5700 31.2155 177.6750 24 A 3.9360 8.0902 120.9432 55.7092 18.3473 179.2282 25 H 4.2233 8.3379 114.7777 59.2194 28.8049 177.9378 26 E 4.0349 8.1409 120.2321 59.4834 29.3267 179.4899 27 L 4.1287 8.2124 119.1002 57.4494 41.5571 179.3466 28 A 4.0719 8.1755 120.8310 55.3474 18.1920 179.8303 29 K 3.9805 7.7817 115.1142 59.7272 32.1908 178.6126 30 M 4.4524 7.8766 116.2524 55.4555 32.0660 176.9211 31 G 3.8298 8.2696 107.8964 45.9368 0.0000 173.4195 32 Y 4.2884 7.8186 116.7899 57.2007 38.7395 176.4608 33 T 4.3079 8.5672 114.3081 61.0892 71.2882 176.1898 34 V 3.5690 8.2202 120.3436 66.0642 31.6403 177.5475 35 Q 3.9710 8.0995 118.8295 59.5875 29.0373 178.4511 36 Q 4.1061 8.0506 118.7294 58.8569 28.8590 178.6979 37 I 3.7112 8.1310 121.0262 64.0761 37.0979 178.2912 38 A 3.9877 8.0955 121.7197 55.3092 18.0134 179.5121 39 N 4.2988 7.8826 113.2528 56.3346 38.6654 177.2781 40 A 4.0792 7.7715 120.9976 54.4513 18.5401 178.7749 41 L 4.4433 7.7781 115.0208 53.9496 42.5280 177.2417 42 G 3.8032 8.0697 106.6146 46.5507 0.0000 173.2684 43 V 4.4590 7.5730 112.0478 58.5602 35.3310 175.7918 44 S 4.5338 8.0410 115.4285 57.8508 65.4128 174.8649 45 E 3.9725 8.5072 121.4891 59.3412 29.1512 179.9096 46 R 3.8360 7.8152 117.8589 59.0996 30.1490 178.8436 47 K 3.5493 7.5789 117.8667 59.3999 32.0196 179.4945 48 V 3.3761 7.3022 117.8923 65.9196 31.1715 178.2316 49 R 3.9144 7.7977 116.8208 59.3217 29.8711 178.7636 50 R 4.0876 7.8962 117.7358 59.6417 29.9452 178.7182 51 Y 4.4171 7.9905 116.5286 61.1752 37.7129 178.3200 52 L 4.4046 8.0926 117.7781 56.1515 41.8494 177.8355 53 E 4.5196 7.6241 116.9247 56.3198 29.9408 176.3955 54 S 4.4016 7.7824 121.7432 59.1382 63.2875 173.8747 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 M 8.30 4.41 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 K 7.77 4.19 0.00 1.90 1.78 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 3 K 8.74 4.42 0.00 1.84 1.72 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.32 7.81 4 E 8.81 4.92 0.00 1.65 1.60 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 1.85 1.47 0.00 5 I 8.79 4.38 1.97 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 1.10 0.65 0.95 0.00 0.00 6 Q 8.70 4.88 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 7 V 8.42 4.32 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 0.82 0.00 0.00 0.78 0.00 0.00 8 Q 8.46 3.19 0.00 2.29 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 9 G 8.91 3.83 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 0.00 0.00 0.00 10 V 7.73 4.18 1.87 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 0.25 0.00 0.00 0.91 0.00 0.00 11 R 8.10 5.02 0.00 1.60 1.71 0.00 3.19 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 12 Y 8.94 4.68 0.00 2.92 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 13 Y 9.03 4.64 0.00 2.77 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 14 V 9.03 4.44 2.23 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 0.93 0.00 0.00 0.94 0.00 0.00 15 E 9.16 4.68 0.00 2.02 1.89 0.00 0.00 0.00 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 2.24 0.00 16 S 7.28 4.54 0.00 3.97 3.90 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 17 E 8.46 3.93 0.00 2.06 1.96 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 2.29 2.44 0.00 18 D 7.61 4.29 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.35 0.00 2.86 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 20 L 7.56 3.85 0.00 1.63 1.57 1.00 0.85 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 V 7.16 2.88 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 0.80 0.00 0.00 0.20 0.00 0.00 22 S 7.59 4.01 0.00 4.03 3.88 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 23 V 7.74 3.14 1.96 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 0.48 0.00 0.00 0.75 0.00 0.00 24 A 8.09 3.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.22 0.00 3.33 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.14 4.03 0.00 2.05 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 2.40 2.41 0.00 27 L 8.21 4.13 0.00 1.61 1.62 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.18 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.98 0.00 1.99 1.94 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.67 7.81 30 M 7.88 4.45 0.00 2.24 2.56 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.67 0.00 31 G 8.27 3.83 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 0.00 0.00 0.00 32 Y 7.82 4.29 0.00 3.15 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 33 T 8.57 4.31 4.27 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 0.00 0.00 0.00 1.22 0.00 0.00 34 V 8.22 3.57 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 1.01 0.00 0.00 0.94 0.00 0.00 35 Q 8.10 3.97 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 36 Q 8.05 4.11 0.00 2.48 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 37 I 8.13 3.71 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.92 0.00 0.00 38 A 8.10 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.30 0.00 2.72 2.89 0.00 0.00 7.05 6.67 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 40 A 7.77 4.08 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.78 4.44 0.00 1.68 1.75 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.07 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.57 4.46 2.02 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 0.87 0.00 0.00 0.92 0.00 0.00 44 S 8.04 4.53 0.00 4.00 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 45 E 8.51 3.97 0.00 2.00 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 2.38 2.38 0.00 46 R 7.82 3.84 0.00 1.78 1.91 0.00 3.11 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 47 K 7.58 3.55 0.00 1.63 1.14 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.48 7.81 48 V 7.30 3.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 49 R 7.80 3.91 0.00 1.92 1.96 0.00 3.22 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 1.65 1.91 0.00 50 R 7.90 4.09 0.00 1.94 2.02 0.00 3.01 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 51 Y 7.99 4.42 0.00 3.10 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 52 L 8.09 4.40 0.00 1.68 1.77 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.62 4.52 0.00 2.14 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 0.00 2.45 2.37 0.00 54 S 7.78 4.40 0.00 4.05 3.83 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