NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3908 8.2893 120.3513 54.7636 32.3388 174.9343 2 P 4.5728 0.0000 0.0000 61.3517 33.7665 173.0218 3 K 4.8713 9.8559 122.2805 55.2011 35.4785 175.6441 4 H 5.7283 9.4570 121.2933 53.4436 33.7377 172.1401 5 E 5.3975 8.5572 118.7221 54.8875 33.7589 174.9527 6 F 5.2342 9.3578 120.3955 56.2447 43.7586 174.4203 7 S 4.8565 8.8815 119.4198 58.5375 64.1306 173.3692 8 V 4.8728 8.6369 122.2969 61.3674 35.2854 174.6739 9 D 4.6408 8.5297 122.0941 52.5534 42.2980 175.0671 10 M 4.4134 8.4952 125.8174 54.7566 30.2120 176.5847 11 T 4.1378 7.9384 112.0609 63.1662 70.1060 175.1380 12 C 4.7871 7.7023 121.4557 56.3195 35.0633 174.1842 13 G 3.9575 9.0567 111.5846 48.3217 0.0000 175.9924 14 G 3.7043 8.1916 106.9219 47.3371 0.0000 175.0154 15 C 4.0303 8.3126 119.4085 62.9873 28.1339 175.9754 16 A 3.9655 8.2568 122.2530 55.1224 17.9951 179.3761 17 E 3.8654 8.2119 116.3598 59.5103 29.5011 179.2100 18 A 3.8881 8.2022 120.9432 55.2013 18.3929 179.8224 19 V 3.3241 7.9085 116.7946 66.0554 31.6281 177.8094 20 S 3.2448 8.2082 113.1714 61.4155 62.1754 176.3512 21 R 3.8730 8.3407 120.9060 59.1699 29.6200 179.4186 22 V 3.5229 7.6201 117.7682 64.7583 31.5626 178.1020 23 L 3.8852 7.7247 120.1442 57.2542 41.2897 178.6342 24 N 4.3330 8.1779 117.3281 57.1766 38.5756 176.7342 25 K 3.9093 8.1885 118.4148 59.3526 32.1216 178.6493 26 L 4.1807 7.9257 120.0842 55.3243 42.1902 179.0219 27 G 4.5544 6.8679 111.1631 45.9854 0.0000 173.1434 28 G 4.2441 8.6626 108.2399 44.0385 0.0000 173.5147 29 V 4.2384 7.6221 116.9287 59.5814 33.3567 176.1323 30 K 4.0985 9.1305 128.1317 56.0201 32.2029 174.9221 31 Y 5.2363 7.4803 125.3105 55.3759 40.8484 175.0028 32 D 4.7560 9.2722 120.4125 52.9977 45.2595 174.2327 33 I 4.6301 8.6038 124.4083 59.6261 39.2786 174.5287 34 D 4.7144 9.1058 127.8258 52.8518 42.3992 176.9648 35 L 4.0101 8.7189 126.9360 57.3470 42.2958 177.6581 36 P 4.2364 0.0000 0.0000 66.0196 30.9068 176.9792 37 N 4.4747 9.1256 113.7917 52.5786 39.3390 174.7262 38 K 3.9125 8.0949 117.4390 57.3237 29.8410 174.5035 39 K 5.1935 8.4435 117.1600 54.8317 37.6121 177.0906 40 V 5.0385 9.1422 121.8945 61.2863 34.6006 174.1103 41 C 5.6209 9.2101 121.6775 56.6947 33.0807 172.8034 42 I 5.0967 9.1326 120.6349 60.0879 41.3934 174.4294 43 E 5.0464 9.1986 126.8477 54.3267 30.4790 173.7374 44 S 4.6931 8.2046 117.7470 56.9195 65.6466 173.4136 45 E 4.3705 8.8175 122.0073 56.8406 29.6353 176.8083 46 H 4.3136 8.0292 117.5581 55.2992 29.5189 175.7730 47 S 4.1631 8.7935 118.3409 58.5771 63.8611 174.1734 48 M 3.8153 8.7387 128.5521 59.0667 31.8877 177.8310 49 D 4.1924 8.0378 117.0598 57.7715 41.3191 177.8725 50 T 3.8490 7.9827 115.5001 66.9855 68.4700 175.9536 51 L 3.9040 7.9391 120.2636 57.8828 41.2457 179.2881 52 L 4.1944 8.5694 120.2329 58.1470 41.6658 179.2425 53 A 3.8348 8.3419 120.3048 55.6213 18.7511 179.2384 54 T 3.8709 8.0764 114.7056 66.8392 68.4620 176.7428 55 L 3.8939 8.6210 121.9381 58.5246 40.2440 179.0531 56 K 3.8375 7.5068 120.3755 59.7388 31.8681 178.3915 57 K 3.9695 7.9570 117.0741 59.1667 31.9267 178.9385 58 T 3.9827 8.0813 110.2315 62.3239 68.9550 174.3573 59 G 3.8492 8.1945 109.1359 46.6873 0.0000 172.7180 60 K 4.6233 7.6794 117.6385 54.3320 34.9892 177.4151 61 T 4.2327 8.1923 114.6498 64.1162 67.5193 176.4279 62 V 4.3029 7.7257 123.4497 61.2490 30.6200 174.6905 63 S 4.9915 9.4319 123.8028 57.2621 66.0510 172.3773 64 Y 4.5348 8.5143 123.2885 56.1166 39.9755 175.9290 65 L 3.8043 7.5154 127.2752 53.6265 41.7747 173.5065 66 G 4.2075 6.0526 121.0728 45.1203 0.0000 169.2403 67 L 4.9659 7.7857 123.1324 53.9852 43.7143 176.0970 68 E 4.1975 8.9584 120.8870 56.7476 30.6742 174.9952 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 8.29 4.39 0.00 2.00 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 2.40 2.56 0.00 2 P 0.00 4.57 0.00 2.15 2.18 0.00 3.91 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 2.17 2.12 0.00 3 K 9.86 4.87 0.00 1.94 1.65 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.57 7.81 4 H 9.46 5.73 0.00 3.30 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.56 5.40 0.00 1.95 1.78 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 2.33 2.45 0.00 6 F 9.36 5.23 0.00 2.99 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 7 S 8.88 4.86 0.00 3.84 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 8 V 8.64 4.87 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 0.83 0.00 0.00 0.98 0.00 0.00 9 D 8.53 4.64 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.50 4.41 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 11 T 7.94 4.14 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 1.28 0.00 0.00 12 C 7.70 4.79 0.00 2.91 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 13 G 9.06 3.96 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 0.00 0.00 0.00 14 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.31 4.03 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.97 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 17 E 8.21 3.87 0.00 2.20 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 2.41 2.39 0.00 18 A 8.20 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 3.32 1.98 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 0.87 0.00 0.00 0.90 0.00 0.00 20 S 8.21 3.24 0.00 3.98 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 21 R 8.34 3.87 0.00 1.97 1.92 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 22 V 7.62 3.52 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 0.63 0.00 0.00 0.85 0.00 0.00 23 L 7.72 3.89 0.00 0.82 1.36 0.77 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.18 4.33 0.00 2.95 3.12 0.00 0.00 7.49 6.09 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 25 K 8.19 3.91 0.00 1.94 1.84 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.57 7.81 26 L 7.93 4.18 0.00 1.57 1.71 0.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 G 6.87 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 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 0.00 0.00 0.00 0.00 29 V 7.62 4.24 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 0.96 0.00 0.00 1.08 0.00 0.00 30 K 9.13 4.10 0.00 1.82 1.93 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.45 7.81 31 Y 7.48 5.24 0.00 2.98 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 32 D 9.27 4.76 0.00 2.70 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 33 I 8.60 4.63 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.94 0.00 0.00 34 D 9.11 4.71 0.00 2.70 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 35 L 8.72 4.01 0.00 1.81 1.70 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.24 0.00 2.18 2.20 0.00 3.84 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 2.15 2.01 0.00 37 N 9.13 4.47 0.00 2.95 2.91 0.00 0.00 7.77 8.23 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 38 K 8.09 3.91 0.00 2.01 2.09 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.65 7.81 39 K 8.44 5.19 0.00 1.67 1.77 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.58 7.81 40 V 9.14 5.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.94 0.00 0.00 41 C 9.21 5.62 0.00 3.08 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 42 I 9.13 5.10 2.17 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 1.09 0.00 0.00 43 E 9.20 5.05 0.00 1.96 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 2.24 2.27 0.00 44 S 8.20 4.69 0.00 3.98 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 45 E 8.82 4.37 0.00 1.98 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 2.31 2.33 0.00 46 H 8.03 4.31 0.00 3.17 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.79 4.16 0.00 3.90 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 48 M 8.74 3.82 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 49 D 8.04 4.19 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.98 3.85 4.41 0.00 0.00 0.00 0.00 0.00 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 51 L 7.94 3.90 0.00 1.90 1.67 1.01 0.24 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 52 L 8.57 4.19 0.00 1.86 1.77 0.42 1.19 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 53 A 8.34 3.83 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 54 T 8.08 3.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 55 L 8.62 3.89 0.00 1.70 1.76 0.87 0.38 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 56 K 7.51 3.84 0.00 1.98 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.55 7.81 57 K 7.96 3.97 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 58 T 8.08 3.98 4.20 0.00 0.00 0.00 0.00 0.00 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 59 G 8.19 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 0.00 0.00 0.00 60 K 7.68 4.62 0.00 1.72 1.75 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 61 T 8.19 4.23 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 62 V 7.73 4.30 2.06 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 0.75 0.00 0.00 0.86 0.00 0.00 63 S 9.43 4.99 0.00 3.92 4.05 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 0.00 0.00 0.00 64 Y 8.51 4.53 0.00 2.96 2.89 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 0.00 0.00 0.00 65 L 7.52 3.80 0.00 1.37 1.36 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 G 6.05 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 0.00 0.00 0.00 0.00 67 L 7.79 4.97 0.00 1.76 1.83 1.00 0.60 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 68 E 8.96 4.20 0.00 2.13 1.77 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 2.20 2.21 0.00