NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0390 8.3393 109.7483 45.9507 0.0000 173.1785 2 T 4.0398 7.4690 113.1736 60.1710 70.3954 175.0151 3 K 4.0153 8.3177 122.5930 58.6737 32.9785 179.7658 4 T 3.8944 8.0382 110.1478 65.6975 68.4092 175.4321 5 D 4.4699 7.8540 121.1992 57.0832 40.8426 178.6390 6 Y 3.7722 8.2438 116.4407 61.1036 38.0639 178.3377 7 L 3.9947 8.4592 120.0368 58.1000 41.8722 179.5334 8 M 3.9994 8.5963 119.0386 58.2694 31.7632 178.4069 9 R 3.8663 7.6815 117.8624 59.6860 30.4119 178.3173 10 L 3.9882 7.8874 118.2529 57.9083 41.5089 179.4606 11 R 3.5671 8.0785 117.3314 58.8047 29.9672 177.4959 12 K 4.3754 7.5997 115.7875 55.9359 32.4337 176.8597 13 C 3.9458 8.2013 116.4857 61.6129 29.2035 175.7764 14 T 3.6317 8.8110 114.6143 63.1975 66.1216 172.4524 15 T 4.6983 7.2526 110.9802 59.0610 72.8870 174.2929 16 I 3.6297 8.3281 125.9356 64.5528 36.2852 178.2638 17 D 4.4629 8.1729 119.4412 56.7979 38.7611 178.8902 18 T 4.0341 7.4999 117.0339 66.4720 68.6265 176.2696 19 L 3.8604 7.7989 122.2544 58.4859 41.9449 179.1313 20 E 3.9353 7.7212 118.4292 59.3556 29.2688 178.8419 21 R 3.8924 7.8138 117.4973 59.6720 30.3017 178.3245 22 V 3.7224 7.7443 116.9923 66.0866 31.6690 177.4405 23 I 3.6983 7.7736 119.6774 64.8335 36.8213 177.8410 24 E 3.9578 7.8207 117.6119 58.9507 29.1041 178.6458 25 K 4.0611 8.3094 120.2249 59.6994 32.2839 178.4955 26 N 3.7278 8.0314 116.1021 55.7798 37.9418 176.7690 27 K 3.5826 7.1407 120.1912 59.6485 32.2435 176.9108 28 Y 4.2777 7.2754 114.0175 59.4406 38.7096 176.7848 29 E 4.2963 8.2065 115.1389 57.3299 30.9749 177.0303 30 L 4.6789 6.5503 121.5180 54.4603 42.1819 177.6826 31 S 4.5348 8.1964 109.0271 55.9922 64.4654 175.3357 32 D 4.3106 8.4163 122.2113 58.0367 40.6981 178.0446 33 D 4.6532 8.1866 116.5920 57.5779 41.1542 178.1385 34 E 4.1700 7.9607 117.8000 59.3228 29.7056 178.8482 35 L 3.4356 8.4807 119.2839 58.0029 41.4612 179.4827 36 E 4.1251 7.7979 117.6473 59.2861 29.2604 179.0246 37 L 4.2315 8.7831 120.1143 58.0517 41.7413 179.4650 38 F 3.8994 8.3203 119.7521 61.3078 39.1791 176.5967 39 Y 4.0238 8.2808 116.8226 61.1378 37.6881 177.8653 40 S 4.0122 9.0194 113.7600 61.2313 62.7084 175.9587 41 A 4.1909 8.3988 123.7047 55.0003 18.5807 179.1436 42 A 3.7570 7.8466 118.9435 55.3290 18.1879 179.1298 43 D 3.6696 7.4510 116.3909 57.7903 40.8199 178.1134 44 H 4.5422 7.2828 114.5662 59.4819 28.8406 177.1028 45 R 4.1357 7.9691 118.3690 57.9201 29.9031 178.1976 46 L 3.9882 8.7642 121.4641 58.6288 42.0123 178.3500 47 A 4.0896 8.7823 120.4217 54.2415 18.4891 178.9583 48 E 3.5543 7.7061 115.4913 59.6533 29.5228 179.1867 49 L 3.9440 7.1984 118.0235 57.5071 41.9052 179.2438 50 T 3.9941 8.2826 116.2092 64.5831 68.2684 175.6302 51 M 4.2144 7.7777 116.6080 54.7527 31.2187 175.7846 52 N 4.7587 8.3356 111.9536 52.2335 40.3643 175.9917 53 K 4.5664 8.0083 118.4142 56.7681 32.1736 177.5420 54 L 4.7404 8.4638 130.2157 54.5952 44.3988 175.5036 55 Y 4.5882 8.7769 132.4063 58.9987 38.6223 175.2249 56 D 4.7522 9.5445 125.9000 53.4130 41.2822 177.5063 57 K 4.2765 7.8061 119.4098 56.8163 30.3769 175.6120 58 I 4.5483 8.1782 123.3127 58.2091 40.0220 174.3893 59 P 4.4341 0.0000 0.0000 62.0499 30.3902 175.6192 60 P 4.6608 0.0000 0.0000 65.4011 31.4442 178.6958 61 T 3.9324 8.0255 116.6322 66.6942 68.2148 176.1285 62 V 3.4908 7.0491 118.5235 65.8439 31.3574 178.0205 63 W 4.2728 6.4692 114.8046 59.3653 28.9247 177.7226 64 Q 4.2577 7.7084 116.6986 57.4002 28.4311 175.9391 65 H 4.6275 7.8864 114.3927 57.4252 30.6941 175.9700 66 V 3.3918 8.4079 116.6381 63.3100 30.2420 172.2379 67 K 4.7401 7.9519 117.2113 58.2169 39.8340 177.3080 68 H 4.1511 8.1000 114.3805 56.5610 29.0777 174.1781 69 H 4.5312 7.8971 115.7314 56.5934 30.6202 172.6670 70 H 4.6451 8.3735 114.3164 55.1975 32.3165 173.7617 71 H 4.6158 8.7210 121.1249 55.9374 29.5154 173.9913 72 H 4.5420 7.9287 113.5935 55.0731 30.2436 173.6915 73 H 4.2499 9.1234 119.3073 56.8157 29.5678 174.9507 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 G 8.34 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.47 4.04 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 1.23 0.00 0.00 3 K 8.32 4.02 0.00 1.72 1.81 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.23 7.81 4 T 8.04 3.89 4.28 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 1.23 0.00 0.00 5 D 7.85 4.47 0.00 3.05 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 6 Y 8.24 3.77 0.00 3.21 2.97 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 0.00 0.00 0.00 7 L 8.46 3.99 0.00 1.70 1.73 0.96 1.08 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 8 M 8.60 4.00 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 9 R 7.68 3.87 0.00 1.85 1.96 0.00 3.21 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 1.63 1.67 0.00 10 L 7.89 3.99 0.00 1.66 1.50 0.23 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.08 3.57 0.00 1.81 2.04 0.00 3.30 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 12 K 7.60 4.38 0.00 1.77 1.82 0.00 1.68 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 13 C 8.20 3.95 0.00 3.01 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 14 T 8.81 3.63 4.24 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 1.21 0.00 0.00 15 T 7.25 4.70 4.46 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 1.21 0.00 0.00 16 I 8.33 3.63 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 1.68 0.55 0.91 0.00 0.00 17 D 8.17 4.46 0.00 2.87 2.95 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 18 T 7.50 4.03 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 19 L 7.80 3.86 0.00 1.87 1.80 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.72 3.94 0.00 2.40 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 2.34 2.47 0.00 21 R 7.81 3.89 0.00 1.80 2.08 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 22 V 7.74 3.72 2.14 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 1.18 0.00 0.00 0.95 0.00 0.00 23 I 7.77 3.70 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.88 0.00 0.00 24 E 7.82 3.96 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 2.37 2.38 0.00 25 K 8.31 4.06 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 26 N 8.03 3.73 0.00 2.20 1.80 0.00 0.00 6.78 7.11 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 27 K 7.14 3.58 0.00 1.63 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.60 1.21 7.81 28 Y 7.28 4.28 0.00 2.87 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 29 E 8.21 4.30 0.00 2.06 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 2.34 2.21 0.00 30 L 6.55 4.68 0.00 1.35 1.00 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.20 4.53 0.00 4.02 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 32 D 8.42 4.31 0.00 2.78 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 33 D 8.19 4.65 0.00 2.69 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 34 E 7.96 4.17 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 35 L 8.48 3.44 0.00 1.89 2.02 0.70 1.05 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 36 E 7.80 4.13 0.00 2.06 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 2.37 2.40 0.00 37 L 8.78 4.23 0.00 1.78 1.10 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.32 3.90 0.00 3.06 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 39 Y 8.28 4.02 0.00 3.18 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 40 S 9.02 4.01 0.00 3.79 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 41 A 8.40 4.19 1.37 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 42 A 7.85 3.76 1.14 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 0.00 0.00 43 D 7.45 3.67 0.00 2.23 1.75 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 44 H 7.28 4.54 0.00 3.39 3.54 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.97 4.14 0.00 1.95 2.07 0.00 3.23 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 46 L 8.76 3.99 0.00 1.57 1.75 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.78 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.71 3.55 0.00 2.32 2.26 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 2.39 2.66 0.00 49 L 7.20 3.94 0.00 1.85 1.76 0.94 0.88 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 50 T 8.28 3.99 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 1.27 0.00 0.00 51 M 7.78 4.21 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 52 N 8.34 4.76 0.00 2.81 2.87 0.00 0.00 5.81 7.14 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 53 K 8.01 4.57 0.00 1.87 1.64 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.42 7.81 54 L 8.46 4.74 0.00 1.57 1.59 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.78 4.59 0.00 3.01 2.86 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 56 D 9.54 4.75 0.00 2.77 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 57 K 7.81 4.28 0.00 1.84 2.18 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.31 7.81 58 I 8.18 4.55 2.05 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.34 0.10 0.00 0.00 59 P 0.00 4.43 0.00 2.09 1.96 0.00 3.49 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 60 P 0.00 4.66 0.00 2.29 2.42 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 61 T 8.03 3.93 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 1.22 0.00 0.00 62 V 7.05 3.49 1.03 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 0.62 0.00 0.00 0.70 0.00 0.00 63 W 6.47 4.27 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.26 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 65 H 7.89 4.63 0.00 3.17 3.43 0.00 6.05 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.41 3.39 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 0.80 0.00 0.00 1.15 0.00 0.00 67 K 7.95 4.74 0.00 1.67 1.70 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.69 7.81 68 H 8.10 4.15 0.00 3.09 3.22 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.90 4.53 0.00 3.26 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.37 4.65 0.00 3.11 3.19 0.00 5.70 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 71 H 8.72 4.62 0.00 3.16 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.93 4.54 0.00 3.24 3.22 0.00 5.54 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.12 4.25 0.00 3.11 3.30 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00