NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4308 8.1627 120.6050 55.4949 34.0594 173.5105 2 Q 4.9456 8.4920 127.1797 52.4297 31.9995 172.5316 3 I 4.8058 9.1678 119.7809 59.1413 42.3593 173.3372 4 F 5.3550 9.0868 120.8394 55.7155 42.4697 174.8900 5 V 4.8655 8.9676 121.4655 61.2113 34.7886 174.1104 6 K 5.2074 8.8436 127.5556 54.8551 34.5570 176.8880 7 T 4.6087 8.7601 115.5229 60.5906 69.9505 175.5217 8 L 4.0026 8.4218 120.9668 57.3091 41.5621 178.3223 9 T 4.2591 7.9643 106.6166 61.2870 69.2542 175.4357 10 G 3.9520 8.2101 111.3033 45.0170 0.0000 173.9310 11 K 4.0838 7.8877 121.6071 56.5745 32.7989 175.3721 12 T 4.9710 8.3322 122.3043 62.4171 70.0317 174.0501 13 I 4.6558 8.9533 126.7441 59.7835 40.5804 174.5070 14 T 4.9521 8.5502 122.0566 61.7802 70.8328 173.6522 15 L 4.7857 8.6696 125.2565 52.8188 46.0533 174.9422 16 E 4.8697 8.6756 123.2336 54.9963 30.7467 175.1883 17 V 4.6988 8.9064 119.5329 60.0939 36.5455 174.1391 18 E 4.6883 9.5906 120.5116 53.9812 32.3272 175.9397 19 P 4.1379 0.0000 0.0000 65.9702 31.4907 178.1728 20 S 4.5451 7.8464 110.4634 58.3841 63.3834 174.0275 21 D 4.4279 8.0220 122.7283 54.5945 41.3200 176.4658 22 T 4.7077 8.2064 113.7132 61.1462 71.4038 176.0218 23 I 3.7736 8.4242 122.6364 64.3205 37.0155 178.4603 24 E 3.9316 8.2712 120.4723 59.3307 29.5748 178.6114 25 N 4.3202 7.9972 116.2556 56.3037 38.5514 177.5847 26 V 3.5874 7.6684 119.4588 65.9761 31.6501 178.2326 27 K 4.3417 8.6824 119.6994 58.8826 31.8291 179.1942 28 A 4.0156 8.0143 121.1082 55.0919 18.2791 179.8837 29 K 3.9795 7.9261 116.6967 59.5771 32.0339 179.7330 30 I 3.7607 7.9196 120.4086 64.2374 36.9012 178.2435 31 Q 4.2153 8.0846 121.9129 58.7736 28.6587 178.0208 32 D 4.3608 7.8864 119.0694 57.1067 40.8855 178.7186 33 K 4.1506 7.9113 118.0881 59.0645 32.3265 178.4777 34 E 4.6378 8.2970 114.5249 55.2940 30.9240 177.1889 35 G 3.8811 8.3507 107.7281 45.2038 0.0000 173.6741 36 I 3.7991 7.4749 121.3030 60.2889 37.5162 175.2780 37 A 4.1112 8.7680 128.6148 52.4747 18.7363 177.8297 38 A 4.0265 9.2885 127.0904 55.2745 18.5845 178.8728 39 D 4.6139 8.0633 112.5214 54.8056 39.5440 176.2510 40 Q 4.5293 7.7589 119.1486 55.6985 30.4789 175.3322 41 Q 4.1654 7.8773 117.1024 56.5029 29.5112 174.8226 42 R 4.7358 8.4440 121.2232 54.6494 33.2500 173.6566 43 L 5.3712 8.5576 125.7176 53.1311 45.0335 175.4800 44 I 5.1718 8.7465 122.1909 59.6014 41.6697 174.2975 45 F 5.0244 8.7245 127.1572 56.7869 42.5767 174.5102 46 A 3.4923 9.2150 130.0686 53.1276 15.8167 177.6136 47 G 3.8837 8.1267 106.3382 46.4534 0.0000 173.9473 48 K 4.4658 7.8590 120.5617 54.6227 33.5517 175.7068 49 Q 4.5316 8.5348 122.9130 55.8699 29.4360 175.3960 50 L 3.9021 8.3032 124.8436 53.3391 42.8237 176.2026 51 E 4.3798 9.2646 124.6374 55.4816 30.8457 177.3287 52 D 4.3918 9.2145 124.1871 57.7928 40.9678 179.0067 53 G 3.8404 8.0422 103.8113 46.3376 0.0000 173.4843 54 R 4.4298 8.0143 120.0307 55.0368 31.9436 175.6787 55 T 4.9698 8.6114 110.3298 59.8829 71.1075 176.0225 56 L 4.0692 8.5360 122.2778 57.9733 41.9622 180.3430 57 S 4.1750 8.2522 113.2605 61.2023 63.0919 176.1867 58 D 4.2044 7.7083 120.0340 56.8296 40.5135 176.7089 59 Y 4.6103 7.2111 113.6865 57.0820 38.0119 174.8924 60 N 4.2463 8.0677 116.9235 54.5435 37.9440 173.9159 61 I 3.4401 7.5901 117.3623 60.3165 37.8751 175.5309 62 Q 4.7859 8.3271 124.4430 53.5021 31.9842 174.5905 63 K 4.1888 8.3917 117.6755 58.6496 32.2695 177.2938 64 E 4.1022 9.3600 121.8380 56.6804 27.9622 174.9819 65 S 4.6129 7.9147 115.7762 58.9408 64.2911 173.1687 66 T 5.2398 8.7142 118.3967 62.0089 70.8096 173.6170 67 L 5.0644 9.2866 126.1456 53.4456 45.0071 175.0666 68 H 5.3388 9.0776 118.2955 54.0357 32.2021 172.9365 69 L 4.7870 8.6900 123.3951 54.5147 42.4848 176.4996 70 V 4.5793 8.7406 116.1985 60.0139 36.1501 173.8258 71 L 4.7852 8.0563 121.2363 53.8596 44.2919 177.1688 72 R 4.1601 8.1690 114.9115 57.2860 28.7698 174.5839 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 8.16 4.43 0.00 2.40 1.98 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 2 Q 8.49 4.95 0.00 2.08 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 1.72 2.23 0.00 3 I 9.17 4.81 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.79 0.00 0.00 4 F 9.09 5.35 0.00 3.01 2.94 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 5 V 8.97 4.87 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 8.84 5.21 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.36 7.81 7 T 8.76 4.61 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 8 L 8.42 4.00 0.00 1.67 1.79 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.96 4.26 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 1.22 0.00 0.00 10 G 8.21 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 0.00 0.00 0.00 11 K 7.89 4.08 0.00 1.85 1.70 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.33 4.97 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 1.33 0.00 0.00 13 I 8.95 4.66 1.98 0.00 0.00 0.87 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 0.89 0.92 0.00 0.00 14 T 8.55 4.95 4.23 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 0.00 0.00 0.00 1.00 0.00 0.00 15 L 8.67 4.79 0.00 1.44 1.44 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.87 0.00 1.89 1.80 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 2.18 2.34 0.00 17 V 8.91 4.70 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 0.69 0.00 0.00 0.89 0.00 0.00 18 E 9.59 4.69 0.00 1.82 1.79 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 2.19 2.22 0.00 19 P 0.00 4.14 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 20 S 7.85 4.55 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.43 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.71 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.42 3.77 2.12 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 1.79 1.15 0.97 0.00 0.00 24 E 8.27 3.93 0.00 2.20 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 2.31 2.36 0.00 25 N 8.00 4.32 0.00 3.03 2.84 0.00 0.00 6.67 7.22 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 26 V 7.67 3.59 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 1.08 0.00 0.00 0.94 0.00 0.00 27 K 8.68 4.34 0.00 1.96 1.85 0.00 1.83 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.51 7.81 28 A 8.01 4.02 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 29 K 7.93 3.98 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.68 7.81 30 I 7.92 3.76 2.15 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 1.41 0.75 0.91 0.00 0.00 31 Q 8.08 4.22 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 7.89 4.36 0.00 2.86 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 K 7.91 4.15 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.62 7.81 34 E 8.30 4.64 0.00 1.90 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 2.24 2.43 0.00 35 G 8.35 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 36 I 7.47 3.80 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.92 0.00 0.00 37 A 8.77 4.11 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 38 A 9.29 4.03 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 39 D 8.06 4.61 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.53 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 41 Q 7.88 4.17 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 42 R 8.44 4.74 0.00 1.84 1.93 0.00 3.25 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 43 L 8.56 5.37 0.00 1.58 1.50 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.75 5.17 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.12 0.97 0.00 0.00 45 F 8.72 5.02 0.00 3.03 2.79 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 46 A 9.22 3.49 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 48 K 7.86 4.47 0.00 1.89 1.76 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.56 7.81 49 Q 8.53 4.53 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.30 3.90 0.00 1.39 1.32 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.26 4.38 0.00 2.07 1.93 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 2.37 2.44 0.00 52 D 9.21 4.39 0.00 2.76 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 53 G 8.04 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.01 4.43 0.00 2.19 1.63 0.00 3.15 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 55 T 8.61 4.97 4.30 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 1.26 0.00 0.00 56 L 8.54 4.07 0.00 1.91 1.70 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.18 0.00 3.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 4.20 0.00 2.54 2.28 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 59 Y 7.21 4.61 0.00 3.12 3.12 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 0.00 60 N 8.07 4.25 0.00 2.98 3.08 0.00 0.00 7.13 7.42 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 61 I 7.59 3.44 1.80 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 -0.30 0.27 0.53 0.00 0.00 62 Q 8.33 4.79 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 63 K 8.39 4.19 0.00 1.75 1.75 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 E 9.36 4.10 0.00 2.20 2.36 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 2.27 2.51 0.00 65 S 7.91 4.61 0.00 3.75 3.67 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 66 T 8.71 5.24 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 1.15 0.00 0.00 67 L 9.29 5.06 0.00 1.58 1.56 0.78 0.84 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 68 H 9.08 5.34 0.00 3.05 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.69 4.79 0.00 1.67 1.61 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.74 4.58 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 0.75 0.00 0.00 0.98 0.00 0.00 71 L 8.06 4.79 0.00 1.60 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.17 4.16 0.00 1.86 1.83 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00