NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4148 8.3049 120.3312 55.6877 32.2685 175.5290 2 I 2.5971 8.1067 118.8850 60.7633 35.8646 169.3056 3 V 2.8920 8.4818 125.0735 62.1342 32.3897 173.7452 4 P 3.9969 0.0000 0.0000 62.9521 31.5117 176.1134 5 V 3.5742 8.2354 123.2231 63.3459 31.8523 172.4418 6 R 4.1009 8.5571 132.4056 55.5139 30.2207 175.3487 7 C 3.9919 8.2785 122.0618 59.0329 31.6501 173.8270 8 F 4.1354 7.5961 126.0041 61.1610 38.2907 177.0537 9 S 3.9638 7.6199 115.3638 61.5643 63.2129 175.1668 10 C 4.2985 7.9555 119.5189 58.5320 30.8886 175.1458 11 G 3.8812 8.1621 108.0854 44.6479 0.0000 173.2210 12 K 3.9563 7.8337 121.8811 55.6851 32.3700 176.0896 13 V 3.6018 8.3863 125.7093 63.8937 31.9402 175.6090 14 V 4.3492 8.3720 123.2901 62.7231 33.2899 177.1322 15 G 3.8179 8.2670 107.4459 47.4938 0.0000 173.2308 16 D 4.9869 7.8952 118.6457 53.2131 39.9870 176.9755 17 K 4.6473 8.0899 115.1147 55.9047 34.9490 178.2920 18 W 4.1460 8.4337 129.8510 60.6661 30.6841 177.5613 19 E 3.9229 8.3710 117.9580 59.4865 28.9664 179.1214 20 S 4.0841 8.1620 114.6202 61.9333 62.7001 175.7980 21 Y 3.9350 7.8212 120.4096 60.8072 38.7219 177.8255 22 L 3.7340 7.7844 119.8384 57.8857 41.6186 179.1469 23 N 4.1730 8.1323 116.1583 56.6588 38.1947 177.2316 24 L 3.8657 7.8281 119.9638 58.4115 41.4500 179.0990 25 L 3.9970 7.6733 119.2459 57.0662 41.3864 178.4756 26 Q 3.9091 7.8035 119.9230 60.0139 29.3996 178.8426 27 E 4.1025 8.1617 118.4929 59.4058 29.8372 178.8292 28 D 4.4138 8.0139 115.7644 54.7326 42.2153 176.1954 29 E 3.8894 7.2868 117.2573 56.4216 27.2638 173.4828 30 L 4.7524 7.4529 118.0152 52.5670 45.5432 176.7854 31 D 4.7343 8.2477 119.8385 52.6095 41.9356 177.5229 32 E 3.8994 8.6516 122.6526 59.4964 29.5143 180.0589 33 G 3.6517 8.1094 105.1988 48.3015 0.0000 175.7722 34 T 3.9169 7.7841 117.2344 65.9101 68.3219 176.6420 35 A 3.9249 7.5916 121.6089 55.6217 18.5321 179.2571 36 L 4.1676 8.0020 116.9111 58.2978 41.7476 179.7080 37 S 4.1347 8.0106 114.8717 62.0740 62.6461 177.1464 38 R 3.9899 8.2022 120.6296 59.0552 29.8712 177.7053 39 L 4.3823 7.7866 116.1985 54.6884 41.6507 177.8312 40 G 3.9349 7.8886 107.3318 45.6404 0.0000 175.1179 41 L 4.3653 7.4949 120.6362 53.4461 40.1664 176.0174 42 K 4.2380 8.1891 121.8372 57.5718 34.0933 178.1673 43 R 4.5087 7.5376 115.7949 54.2538 31.4141 176.7817 44 Y 4.2991 8.1702 118.8681 60.3173 36.7932 178.4063 45 C 4.2898 7.8354 116.2051 61.2205 29.5379 174.7145 46 C 4.1114 7.8290 116.1231 60.2573 28.3985 175.0761 47 R 4.3330 7.6403 120.1209 58.1187 30.4541 178.5196 48 R 4.0510 8.1778 115.9886 58.9679 29.2774 178.3727 49 M 3.8981 7.2421 118.9440 58.6716 32.2994 177.8334 50 I 4.1038 7.5042 118.7167 63.9472 37.5796 177.6194 51 L 3.9274 7.5948 119.7186 58.4116 41.8717 178.5183 52 T 4.2928 7.8763 113.6390 63.9086 69.3278 174.9484 53 H 4.0971 7.3159 120.4097 56.6811 30.1473 175.1286 54 V 4.0611 7.7859 125.5511 60.2327 31.8358 173.8464 55 D 4.3113 7.6692 131.0831 53.5937 40.6274 177.4208 56 L 3.6646 7.5898 121.9082 57.6893 42.0143 178.9458 57 I 3.8565 7.6836 118.2315 64.3287 37.5744 177.2417 58 E 4.0676 7.7493 117.7432 58.4416 29.2812 178.3386 59 K 4.3412 8.0820 117.9969 57.2656 32.9535 178.3076 60 F 4.8405 7.9320 118.0769 59.9976 38.7097 177.4642 61 L 4.2112 8.0241 117.1077 56.9110 41.7527 177.7555 62 R 3.9640 7.4427 117.1507 57.5865 30.1336 175.8729 63 Y 4.2213 7.8760 115.6051 58.1407 36.5238 175.3060 64 N 3.8601 7.9907 121.7959 55.9696 40.2672 172.6427 65 P 4.4778 0.0000 0.0000 62.9295 31.7129 175.9399 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 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.73 0.00 2 I 8.11 2.60 1.84 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 1.25 -0.01 0.81 0.00 0.00 3 V 8.48 2.89 1.94 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 0.77 0.00 0.00 0.30 0.00 0.00 4 P 0.00 4.00 0.00 1.73 1.66 0.00 3.43 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 5 V 8.24 3.57 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.56 4.10 0.00 1.97 1.91 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 7 C 8.28 3.99 0.00 2.79 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 8 F 7.60 4.14 0.00 3.11 2.99 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 9 S 7.62 3.96 0.00 3.89 3.86 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 0.00 0.00 0.00 10 C 7.96 4.30 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 11 G 8.16 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 0.00 0.00 0.00 12 K 7.83 3.96 0.00 1.77 1.68 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.41 7.81 13 V 8.39 3.60 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 0.87 0.00 0.00 0.92 0.00 0.00 14 V 8.37 4.35 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 0.94 0.00 0.00 0.91 0.00 0.00 15 G 8.27 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 16 D 7.90 4.99 0.00 2.81 2.77 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 17 K 8.09 4.65 0.00 1.99 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 18 W 8.43 4.15 0.00 3.43 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 3.92 0.00 2.11 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 0.00 2.59 2.56 0.00 20 S 8.16 4.08 0.00 4.04 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 21 Y 7.82 3.94 0.00 2.88 2.93 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 0.00 0.00 0.00 22 L 7.78 3.73 0.00 1.63 1.55 0.30 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.13 4.17 0.00 2.81 2.81 0.00 0.00 7.08 7.56 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 24 L 7.83 3.87 0.00 1.61 1.59 0.90 0.45 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 25 L 7.67 4.00 0.00 1.60 1.42 0.56 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.80 3.91 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 27 E 8.16 4.10 0.00 1.96 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 2.29 2.31 0.00 28 D 8.01 4.41 0.00 2.66 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 29 E 7.29 3.89 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 2.41 2.35 0.00 30 L 7.45 4.75 0.00 1.71 1.47 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.25 4.73 0.00 2.85 2.76 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 32 E 8.65 3.90 0.00 2.14 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 0.00 2.48 2.50 0.00 33 G 8.11 3.65 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 0.00 0.00 0.00 34 T 7.78 3.92 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 1.20 0.00 0.00 35 A 7.59 3.92 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.00 4.17 0.00 2.01 1.78 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.01 4.13 0.00 3.94 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 38 R 8.20 3.99 0.00 1.77 2.10 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 L 7.79 4.38 0.00 1.87 1.72 1.15 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.89 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.49 4.37 0.00 1.78 1.65 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.19 4.24 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 43 R 7.54 4.51 0.00 1.72 1.93 0.00 2.85 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 44 Y 8.17 4.30 0.00 3.18 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 45 C 7.84 4.29 0.00 3.20 3.18 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 46 C 7.83 4.11 0.00 3.08 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 47 R 7.64 4.33 0.00 1.94 2.02 0.00 3.22 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 48 R 8.18 4.05 0.00 2.16 2.25 0.00 2.92 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 49 M 7.24 3.90 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 50 I 7.50 4.10 1.64 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.08 0.00 0.00 51 L 7.59 3.93 0.00 1.77 1.81 1.04 0.95 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 52 T 7.88 4.29 4.45 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 1.26 0.00 0.00 53 H 7.32 4.10 0.00 3.05 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.79 4.06 2.03 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 0.83 0.00 0.00 1.01 0.00 0.00 55 D 7.67 4.31 0.00 2.41 2.56 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 0.00 0.00 0.00 0.00 56 L 7.59 3.66 0.00 1.57 0.75 1.02 0.67 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 57 I 7.68 3.86 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.92 0.00 0.00 58 E 7.75 4.07 0.00 2.00 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 2.57 2.56 0.00 59 K 8.08 4.34 0.00 1.53 1.78 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.27 7.81 60 F 7.93 4.84 0.00 3.27 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 61 L 8.02 4.21 0.00 1.70 1.79 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.44 3.96 0.00 1.77 1.70 0.00 3.20 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 63 Y 7.88 4.22 0.00 3.20 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 64 N 7.99 3.86 0.00 2.70 2.80 0.00 0.00 7.24 7.69 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 65 P 0.00 4.48 0.00 2.24 2.04 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00