NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3719 8.3049 120.3096 55.5515 33.3610 173.2884 2 H 4.6806 7.9339 115.5601 53.6802 32.5592 167.5262 3 L 3.5805 8.7664 130.1452 54.6989 44.1894 173.0515 4 M 4.1573 8.2686 120.3308 54.1143 34.9076 173.2868 5 Y 4.4840 7.5156 122.2844 57.1224 39.0979 175.8538 6 T 4.2162 9.1500 117.4383 59.2687 68.2531 175.1108 7 L 3.7097 8.5586 130.8680 56.5977 42.3996 179.2267 8 G 3.6580 7.9477 106.7969 44.2676 0.0000 171.4416 9 P 4.2101 0.0000 0.0000 65.5162 31.0381 177.0408 10 D 4.3383 7.6093 118.7609 57.2334 41.4684 178.3322 11 G 4.2520 8.2063 107.5523 46.4304 0.0000 173.7291 12 K 4.3016 7.9449 115.3630 54.4550 35.6563 177.5865 13 R 5.6785 7.5034 133.2611 57.3813 32.2865 176.3482 14 I 3.6458 6.8586 121.1220 60.9693 35.7511 173.6141 15 Y 4.0995 8.5929 124.3657 58.9798 39.4543 174.6649 16 T 2.0000 7.9645 119.6225 60.5215 71.4868 172.2444 17 L 4.7193 7.1468 126.1531 53.9774 43.0277 175.7508 18 K 4.5334 8.1131 115.9596 55.6934 33.0924 176.3648 19 K 4.0698 8.1804 116.7065 56.3391 32.1636 175.8105 20 V 3.5874 8.1475 116.8851 66.5785 31.5693 177.2808 21 T 4.3703 7.4413 117.3128 62.1267 67.3164 174.7585 22 E 4.1528 8.0066 128.7386 55.9050 29.2940 177.8902 23 S 3.8700 7.9422 117.3852 58.9199 64.1777 173.1395 24 G 4.3082 8.0002 110.2088 45.9640 0.0000 173.8551 25 E 3.9918 9.5383 121.6760 59.1094 29.4549 177.5986 26 I 3.9088 7.6451 118.9296 60.7267 38.6464 176.5163 27 T 3.6645 8.4931 123.8840 65.3189 68.3913 174.1269 28 K 3.9801 7.7918 120.5891 57.2129 31.8509 176.3951 29 S 4.2193 9.2275 119.8136 58.0233 63.6449 172.1240 30 A 3.7362 8.5740 115.6616 53.0639 15.0079 175.5954 31 H 4.4444 8.4208 115.5392 54.3551 30.1152 173.8220 32 P 4.4783 0.0000 0.0000 64.2813 32.1148 175.8745 33 A 4.8525 8.2622 121.8279 53.3194 19.6458 175.3340 34 R 4.0437 8.6337 116.1560 56.4321 29.3736 177.4516 35 F 5.0617 7.9115 116.1407 57.6338 39.6627 176.7850 36 S 4.5482 7.4071 115.6072 57.0353 63.2321 171.2143 37 P 4.7067 0.0000 0.0000 62.3475 32.4381 177.7041 38 D 4.7806 7.6744 125.9629 53.0969 40.2115 176.9323 39 D 4.5177 9.2505 124.8098 55.2015 38.6499 174.3888 40 K 4.3580 7.7613 117.5051 57.5192 30.9731 174.3498 41 Y 4.7603 8.1320 121.4900 57.9837 39.6781 175.8240 42 S 3.5177 7.4415 113.1339 59.7236 62.4186 176.0356 43 R 5.3667 6.4943 124.9684 56.7532 28.3958 173.8112 44 Q 4.3698 7.2412 119.9544 54.2594 32.1046 174.3769 45 R 3.4174 9.4675 120.4231 57.2330 30.1276 175.0437 46 V 3.9295 8.5211 118.0371 63.4232 30.5571 172.3036 47 T 3.8772 7.4941 112.9364 62.8033 68.0751 172.9462 48 L 3.6050 7.6588 120.0848 55.2368 38.7382 173.4182 49 K 3.7370 7.4760 119.4027 54.9047 31.4339 175.1142 50 K 3.5097 8.4666 119.8586 57.5733 31.8973 176.0668 51 R 4.6911 6.7244 130.9878 55.9478 31.9039 175.1440 52 F 4.9463 8.1690 116.0243 55.9131 38.7243 173.0316 53 G 4.4211 8.3139 116.3087 45.1535 0.0000 170.6687 54 L 5.0323 7.7393 117.2605 52.7510 44.8384 175.8670 55 V 4.3948 8.2594 119.8942 63.9765 38.7862 173.6612 56 P 3.8757 0.0000 0.0000 63.6497 32.4826 178.1733 57 G 3.7940 7.4897 104.9649 46.9822 0.0000 173.5677 58 Q 4.2637 8.8406 124.1064 55.6899 29.2864 174.9223 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 4.37 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 H 7.93 4.68 0.00 3.18 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.77 3.58 0.00 1.85 1.70 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.27 4.16 0.00 1.72 1.67 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 5 Y 7.52 4.48 0.00 2.92 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 6 T 9.15 4.22 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 7 L 8.56 3.71 0.00 1.71 1.82 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.95 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.21 0.00 2.19 2.23 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 10 D 7.61 4.34 0.00 2.61 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 11 G 8.21 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.30 0.00 1.73 1.69 0.00 2.08 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 13 R 7.50 5.68 0.00 1.83 1.94 0.00 2.24 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.06 0.00 14 I 6.86 3.65 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 1.02 0.00 0.00 15 Y 8.59 4.10 0.00 3.19 3.28 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 0.00 16 T 7.96 2.00 3.71 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 1.26 0.00 0.00 17 L 7.15 4.72 0.00 1.79 1.56 1.02 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.11 4.53 0.00 1.59 1.70 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.36 7.81 19 K 8.18 4.07 0.00 1.69 1.55 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.51 7.81 20 V 8.15 3.59 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 0.93 0.00 0.00 21 T 7.44 4.37 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 1.24 0.00 0.00 22 E 8.01 4.15 0.00 2.06 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 2.27 2.27 0.00 23 S 7.94 3.87 0.00 4.08 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 24 G 8.00 4.31 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 0.00 25 E 9.54 3.99 0.00 2.05 2.27 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 2.33 2.36 0.00 26 I 7.65 3.91 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 1.03 0.00 0.00 27 T 8.49 3.66 4.27 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 1.23 0.00 0.00 28 K 7.79 3.98 0.00 1.76 2.18 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.28 7.81 29 S 9.23 4.22 0.00 4.13 3.91 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 0.00 0.00 0.00 30 A 8.57 3.74 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 31 H 8.42 4.44 0.00 3.22 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.48 0.00 2.24 2.23 0.00 3.96 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 33 A 8.26 4.85 1.30 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 0.00 0.00 0.00 0.00 0.00 34 R 8.63 4.04 0.00 2.12 2.12 0.00 3.01 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 35 F 7.91 5.06 0.00 3.00 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 36 S 7.41 4.55 0.00 3.81 3.60 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 37 P 0.00 4.71 0.00 2.14 2.02 0.00 3.66 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 38 D 7.67 4.78 0.00 2.88 2.55 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 39 D 9.25 4.52 0.00 3.25 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 40 K 7.76 4.36 0.00 1.72 1.98 0.00 1.50 0.00 0.00 1.32 0.00 0.00 3.22 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.48 1.87 7.81 41 Y 8.13 4.76 0.00 2.99 3.31 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 42 S 7.44 3.52 0.00 3.70 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 43 R 6.49 5.37 0.00 2.06 2.04 0.00 3.08 0.00 0.00 3.09 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.25 0.00 44 Q 7.24 4.37 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.11 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 45 R 9.47 3.42 0.00 2.04 1.94 0.00 3.10 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 46 V 8.52 3.93 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 0.64 0.00 0.00 0.95 0.00 0.00 47 T 7.49 3.88 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 1.21 0.00 0.00 48 L 7.66 3.60 0.00 1.75 1.82 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.48 3.74 0.00 1.89 1.80 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.31 7.81 50 K 8.47 3.51 0.00 1.62 1.67 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.38 7.81 51 R 6.72 4.69 0.00 1.80 1.82 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.00 52 F 8.17 4.95 0.00 3.04 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 53 G 8.31 4.42 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 0.00 54 L 7.74 5.03 0.00 1.89 1.64 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.26 4.39 2.34 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 0.78 0.00 0.00 0.96 0.00 0.00 56 P 0.00 3.88 0.00 2.11 2.23 0.00 4.32 0.00 0.00 3.58 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 57 G 7.49 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.84 4.26 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00