NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5083 8.1476 120.3439 54.6364 34.3122 176.9246 2 E 3.9814 8.3231 118.9866 59.2629 29.4111 177.3359 3 Y 3.9230 8.4227 117.5528 60.8487 38.4484 179.6684 4 V 3.5935 7.7958 118.6754 66.2263 31.6971 177.3964 5 Y 4.2903 8.1210 116.5740 61.0175 37.6818 178.6006 6 A 3.9749 8.5789 121.7703 55.2300 18.5658 179.1910 7 A 3.9865 8.0940 119.2433 55.7245 18.3011 179.9644 8 L 4.0039 8.0673 117.1261 57.6204 41.5089 179.3528 9 L 3.9542 8.3420 120.6832 58.1889 42.0260 178.7801 10 L 3.9381 7.9652 118.7854 58.2696 41.6271 178.9792 11 H 4.1017 8.3496 118.0502 59.4267 29.6040 177.2908 12 S 4.2943 8.2530 114.5410 60.2441 62.6147 175.1119 13 V 4.2708 6.8103 120.5101 60.9614 31.5358 176.1377 14 G 3.8499 8.1052 106.2213 46.5835 0.0000 174.2401 15 K 4.2621 7.9299 120.3305 54.8722 33.0432 176.3571 16 E 4.1020 8.4993 125.6816 56.3870 30.1681 177.4092 17 I 4.1527 8.0777 127.2572 59.9183 36.1000 174.6721 18 N 5.1581 7.7941 122.7297 50.1002 41.8669 174.9382 19 E 3.9603 8.5156 118.5889 59.5379 29.4959 179.0679 20 E 3.9239 8.0992 118.7943 59.4885 29.9361 178.5222 21 N 4.3703 8.5468 116.4682 56.1005 38.5537 177.3731 22 L 3.9793 7.8278 120.2121 57.9173 41.7802 179.8205 23 K 3.9128 8.1291 118.0365 59.2020 31.9517 179.2682 24 A 3.9550 7.9796 121.0577 55.3747 18.3244 180.1934 25 V 3.5636 7.6295 110.4395 64.3327 31.6126 178.7855 26 L 3.8483 7.9839 118.8126 58.0358 41.5150 179.4529 27 Q 4.2051 8.7300 119.3088 58.4407 28.4225 179.1560 28 A 4.0889 7.8806 120.2683 54.3105 18.3793 178.3975 29 A 4.4556 7.4270 117.5446 51.6715 18.9003 178.0294 30 G 3.7989 7.6476 106.0767 46.6640 0.0000 174.1189 31 V 3.8818 7.5983 120.4211 61.3604 32.2642 174.7414 32 E 4.3923 8.6073 128.3714 54.3581 29.3978 174.1421 33 P 4.3676 0.0000 0.0000 62.4870 32.1674 176.2885 34 E 4.4577 9.5174 123.4269 54.7404 30.6235 176.2837 35 E 3.9209 8.9363 127.5466 59.6311 29.6666 178.3483 36 A 4.0116 8.0644 119.9363 55.4980 18.4010 179.7374 37 R 3.7278 7.8497 115.8554 59.1043 30.1312 179.0197 38 I 3.8711 8.1343 119.9468 64.4671 37.1562 178.3190 39 K 3.8470 8.5405 119.1740 59.5446 31.8979 178.8441 40 A 3.9628 8.0246 120.7291 55.3284 18.2310 179.2891 41 L 3.8792 7.9903 118.5967 58.4327 42.1101 179.5781 42 V 3.6447 7.8737 118.8176 64.6986 31.0060 178.1098 43 A 4.2077 8.2601 121.7040 54.4802 18.3611 179.1526 44 A 4.0616 8.1907 118.3711 54.8486 18.8948 178.9747 45 L 4.4008 7.7931 115.6274 54.1025 42.3543 176.5842 46 E 3.8064 7.4582 120.9494 57.9821 29.8732 176.0084 47 G 4.2600 9.0733 113.4340 45.7638 0.0000 174.5227 48 V 3.6730 6.9158 111.2166 60.9183 32.0247 175.8242 49 N 4.8242 8.4761 121.8676 51.5561 38.9116 176.1770 50 I 3.6394 8.2321 127.0449 63.9771 37.2827 177.7257 51 D 4.4317 8.1663 119.4823 57.8829 40.6253 178.9608 52 E 4.1770 8.1590 118.7201 59.0623 29.3889 179.5574 53 V 3.5462 7.4947 118.3606 66.1328 31.3394 177.9313 54 I 3.6936 8.0465 119.8462 64.6612 36.7414 178.2805 55 E 3.9966 8.0081 117.9276 59.4507 29.4017 179.3647 56 K 4.1315 8.2426 117.3055 58.8951 32.1939 178.8643 57 A 4.1873 7.8898 120.0687 54.1300 18.5632 177.6636 58 A 4.2449 7.5369 123.2071 52.5892 18.6066 177.0777 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 8.15 4.51 0.00 1.87 2.24 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 2 E 8.32 3.98 0.00 2.26 2.30 0.00 0.00 0.00 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 2.34 0.00 3 Y 8.42 3.92 0.00 3.03 3.07 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 0.00 0.00 0.00 4 V 7.80 3.59 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 0.94 0.00 0.00 0.90 0.00 0.00 5 Y 8.12 4.29 0.00 3.06 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 6 A 8.58 3.97 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 7 A 8.09 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.00 0.00 2.15 1.83 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.34 3.95 0.00 1.77 1.97 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.97 3.94 0.00 2.08 1.74 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.35 4.10 0.00 3.21 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.25 4.29 0.00 4.08 4.14 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 13 V 6.81 4.27 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 0.79 0.00 0.00 0.92 0.00 0.00 14 G 8.11 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 15 K 7.93 4.26 0.00 1.71 1.71 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.42 7.81 16 E 8.50 4.10 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 17 I 8.08 4.15 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.98 0.94 0.00 0.00 18 N 7.79 5.16 0.00 2.95 2.92 0.00 0.00 6.14 7.66 0.00 0.00 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 8.52 3.96 0.00 2.05 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 0.00 2.42 2.38 0.00 20 E 8.10 3.92 0.00 2.03 1.95 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 2.38 2.40 0.00 21 N 8.55 4.37 0.00 2.88 2.85 0.00 0.00 7.08 6.04 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 22 L 7.83 3.98 0.00 1.94 1.72 0.98 0.95 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 23 K 8.13 3.91 0.00 1.95 1.85 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.59 7.81 24 A 7.98 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.56 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 1.05 0.00 0.00 0.90 0.00 0.00 26 L 7.98 3.85 0.00 1.76 1.57 0.61 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.73 4.21 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 28 A 7.88 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.43 4.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.65 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 31 V 7.60 3.88 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 0.86 0.00 0.00 0.95 0.00 0.00 32 E 8.61 4.39 0.00 1.95 1.88 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 2.28 2.41 0.00 33 P 0.00 4.37 0.00 2.12 1.98 0.00 3.72 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 2.01 2.01 0.00 34 E 9.52 4.46 0.00 2.07 1.88 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 2.25 2.32 0.00 35 E 8.94 3.92 0.00 2.14 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 2.40 2.48 0.00 36 A 8.06 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.73 0.00 1.67 1.12 0.00 3.01 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 38 I 8.13 3.87 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.93 0.97 0.00 0.00 39 K 8.54 3.85 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 40 A 8.02 3.96 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 41 L 7.99 3.88 0.00 1.90 1.89 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.87 3.64 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 0.96 0.00 0.00 0.94 0.00 0.00 43 A 8.26 4.21 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 44 A 8.19 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.40 0.00 1.88 1.71 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.46 3.81 0.00 2.19 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 2.33 2.39 0.00 47 G 9.07 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 0.00 0.00 0.00 0.00 48 V 6.92 3.67 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 0.77 0.00 0.00 0.91 0.00 0.00 49 N 8.48 4.82 0.00 2.98 2.95 0.00 0.00 6.25 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 50 I 8.23 3.64 1.32 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 1.56 0.76 0.68 0.00 0.00 51 D 8.17 4.43 0.00 2.78 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 52 E 8.16 4.18 0.00 2.02 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 2.33 2.39 0.00 53 V 7.49 3.55 2.18 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 1.01 0.00 0.00 0.96 0.00 0.00 54 I 8.05 3.69 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.92 0.93 0.00 0.00 55 E 8.01 4.00 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 2.36 2.68 0.00 56 K 8.24 4.13 0.00 1.82 1.87 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 57 A 7.89 4.19 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 58 A 7.54 4.24 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00