NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.2771 8.1844 122.4913 54.5983 44.2074 177.4161 6 D 4.3162 8.0102 118.0531 55.4237 41.6782 175.5214 7 P 4.2498 0.0000 0.0000 66.0392 31.7588 177.7646 8 V 3.5898 7.9406 116.4907 66.0861 31.4774 177.5606 9 Q 4.2377 7.9107 117.9003 58.6646 28.2901 178.1456 10 K 4.2980 7.6069 115.4132 57.3503 32.0516 178.1430 11 L 4.5443 8.0084 122.9717 56.0331 41.9774 178.3894 12 F 4.1337 8.3275 120.4443 61.5575 39.1251 177.0663 13 V 2.9276 7.7510 116.8790 66.3166 31.2520 177.5980 14 D 4.3437 7.9265 118.1517 57.0788 40.5208 179.0531 15 K 4.0648 7.9057 118.5196 59.5071 32.1369 179.0123 16 I 3.6491 7.3767 119.8024 64.6437 37.0370 178.4349 17 R 3.8910 7.8087 118.5980 59.6773 29.7907 179.0039 18 E 4.0349 7.9020 116.6827 59.0864 29.3562 178.4586 19 Y 4.1187 8.1796 119.9657 60.8930 38.7269 178.3854 20 R 3.7964 8.7060 119.1347 59.7403 30.0301 178.9650 21 T 3.9722 7.5450 112.4224 64.4137 67.6271 175.6045 22 K 3.9253 7.7063 121.9196 59.6823 32.0022 178.8091 23 R 3.8016 7.6668 115.5675 59.2875 29.3048 178.2890 24 Q 4.3064 8.1401 115.2940 55.4142 28.1167 175.1485 25 T 4.3887 7.4657 117.6474 61.8178 70.4558 174.0775 26 S 4.4638 8.2604 122.8126 57.3418 64.4119 174.2587 27 G 4.3239 8.4417 116.0374 45.1721 0.0000 171.9302 28 G 3.7576 8.0194 108.2390 44.9284 0.0000 169.7868 29 P 4.5265 0.0000 0.0000 60.9415 32.6544 176.3140 30 V 3.4955 8.2196 116.6301 62.5587 32.4276 175.8559 31 D 4.3251 8.0067 123.9388 58.3018 38.5728 173.8793 32 A 2.8706 7.5446 113.6155 51.5740 20.1303 176.1922 33 G 3.9378 9.4247 115.5401 43.9426 0.0000 172.9141 34 P 4.3085 0.0000 0.0000 65.6115 31.2179 178.3091 35 E 4.7908 8.2191 118.4504 58.9094 29.3326 178.0836 36 Y 3.7728 8.0826 119.5418 60.9237 38.7576 178.1173 37 Q 4.0635 8.2882 119.4674 59.4202 29.1020 177.9404 38 Q 4.0005 7.7220 118.2978 59.3720 28.7483 178.9867 39 D 4.2922 8.5847 119.6743 57.5682 40.8515 178.1272 40 L 3.8896 8.3077 120.8237 58.5899 41.9731 178.4289 41 D 4.4426 8.9652 118.4519 57.7634 40.9503 179.5574 42 R 4.0070 8.1696 118.2612 59.6157 30.2653 179.1031 43 E 4.0961 8.5826 118.4522 59.0536 28.9685 179.0793 44 L 4.0503 8.7013 120.8535 57.7621 42.1251 178.7050 45 F 4.5095 8.3938 121.1822 60.7194 39.3853 177.4683 46 K 3.8364 8.1047 118.6733 59.9737 32.2049 179.2284 47 L 4.0982 7.9222 119.9297 57.2517 41.4159 179.0869 48 K 3.8666 7.6971 118.6005 59.7051 31.8024 178.8106 49 Q 3.8037 7.2779 116.5598 59.1553 28.6929 178.3822 50 M 4.0876 7.9921 118.3947 58.1166 32.1617 177.6218 51 Y 4.3991 8.0723 114.1231 56.0142 39.4015 175.5233 52 G 4.0244 7.5739 106.2870 44.4372 0.0000 173.5159 53 K 4.2985 8.4461 116.9996 56.2531 31.9541 177.1825 54 A 4.3232 7.5384 122.2990 50.7355 20.0998 177.9254 55 D 4.5237 8.2327 118.8356 53.8760 39.8802 176.6840 56 M 4.2273 8.3877 125.5528 56.9663 32.0517 177.3389 57 N 4.6203 8.5186 115.8867 54.3226 39.1754 175.0644 58 T 4.7287 7.6778 115.0024 61.1241 71.3559 173.8755 59 F 4.3677 8.6290 126.3580 57.3820 40.2072 173.1451 60 P 4.3067 0.0000 0.0000 61.3930 32.2151 175.8491 61 N 4.4123 8.1070 118.0203 53.1751 37.7813 174.5303 62 F 4.3231 8.2873 117.6042 56.2956 42.3876 174.1357 63 T 4.4432 8.2090 122.3883 61.6114 70.3893 173.8849 64 F 4.7210 8.5779 125.2297 55.9494 40.4061 175.3812 65 E 4.1161 8.7286 124.7038 55.9603 30.0927 176.5520 66 D 4.5598 8.6815 125.5766 53.7122 41.4842 174.5592 67 P 4.4007 0.0000 0.0000 62.8106 31.9086 175.6986 68 K 4.6310 7.7823 116.9549 54.5208 35.5936 175.9960 69 F 4.9075 8.8895 120.7587 55.7018 41.8848 175.1855 70 E 4.3428 8.8484 123.0518 56.5794 29.8626 175.8423 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 5 L 8.18 4.28 0.00 1.62 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.01 4.32 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.25 0.00 2.31 2.31 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 8 V 7.94 3.59 2.13 0.00 0.00 0.00 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 0.94 0.00 0.00 9 Q 7.91 4.24 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 10 K 7.61 4.30 0.00 1.73 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.46 7.81 11 L 8.01 4.54 0.00 1.77 1.73 0.98 1.03 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 12 F 8.33 4.13 0.00 3.06 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 2.93 2.21 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 0.90 0.00 0.00 0.85 0.00 0.00 14 D 7.93 4.34 0.00 2.81 2.69 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 15 K 7.91 4.06 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.52 7.81 16 I 7.38 3.65 1.71 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.86 0.00 0.00 17 R 7.81 3.89 0.00 1.85 1.98 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 18 E 7.90 4.03 0.00 2.18 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 2.51 2.46 0.00 19 Y 8.18 4.12 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 3.80 0.00 2.07 1.98 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 21 T 7.54 3.97 4.21 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 1.31 0.00 0.00 22 K 7.71 3.93 0.00 1.79 1.97 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 23 R 7.67 3.80 0.00 1.69 1.37 0.00 2.99 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.60 0.00 24 Q 8.14 4.31 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 25 T 7.47 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 26 S 8.26 4.46 0.00 3.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 4.32 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 0.00 28 G 8.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 1.70 1.60 0.00 3.60 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 30 V 8.22 3.50 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 0.71 0.00 0.00 0.90 0.00 0.00 31 D 8.01 4.33 0.00 2.83 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 32 A 7.54 2.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.42 3.94 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 35 E 8.22 4.79 0.00 2.07 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 0.00 2.41 2.30 0.00 36 Y 8.08 3.77 0.00 3.16 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 37 Q 8.29 4.06 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 38 Q 7.72 4.00 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 39 D 8.58 4.29 0.00 2.60 2.60 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 40 L 8.31 3.89 0.00 2.00 1.90 1.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.97 4.44 0.00 2.85 2.74 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 42 R 8.17 4.01 0.00 2.04 2.03 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 43 E 8.58 4.10 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 2.34 2.33 0.00 44 L 8.70 4.05 0.00 2.05 1.85 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.39 4.51 0.00 3.21 3.27 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 46 K 8.10 3.84 0.00 2.01 2.07 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 47 L 7.92 4.10 0.00 1.76 1.76 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.70 3.87 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.64 7.81 49 Q 7.28 3.80 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 50 M 7.99 4.09 0.00 1.82 2.35 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 51 Y 8.07 4.40 0.00 2.99 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 52 G 7.57 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 0.00 0.00 0.00 53 K 8.45 4.30 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 54 A 7.54 4.32 1.18 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 0.00 0.00 0.00 0.00 0.00 55 D 8.23 4.52 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.39 4.23 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 57 N 8.52 4.62 0.00 2.98 2.87 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.68 4.73 4.47 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 0.00 0.00 0.00 1.23 0.00 0.00 59 F 8.63 4.37 0.00 2.96 3.03 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 60 P 0.00 4.31 0.00 1.16 1.56 0.00 2.20 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 61 N 8.11 4.41 0.00 2.65 2.77 0.00 0.00 5.87 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.29 4.32 0.00 2.66 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.21 4.44 4.18 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 0.00 0.00 1.23 0.00 0.00 64 F 8.58 4.72 0.00 3.07 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 65 E 8.73 4.12 0.00 1.97 1.91 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 2.31 2.43 0.00 66 D 8.68 4.56 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 67 P 0.00 4.40 0.00 1.73 1.90 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 68 K 7.78 4.63 0.00 1.61 1.67 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 69 F 8.89 4.91 0.00 2.94 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 70 E 8.85 4.34 0.00 1.94 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 2.22 2.28 0.00