NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3939 8.3044 120.3500 54.9942 33.6402 175.2836 2 N 4.3334 8.3870 122.6004 52.7788 40.7783 174.5435 3 A 4.0403 9.4658 130.3530 55.3964 18.8827 179.5700 4 I 3.7599 8.2880 118.4551 64.6852 37.1073 178.3613 5 D 4.3786 8.3069 119.2665 57.3369 40.6933 178.7005 6 I 3.6774 7.8585 120.1593 64.4049 37.1304 178.3171 7 A 4.0514 7.9985 121.5545 55.2390 18.1874 179.7863 8 I 3.6821 8.1868 118.7552 64.2431 36.9035 177.8922 9 N 4.2200 8.1710 117.4449 56.8547 38.8263 176.5099 10 K 4.0940 7.9097 119.2586 59.3813 32.4001 178.3357 11 L 4.2445 7.9692 118.0817 55.6255 41.8405 177.8652 12 G 4.0799 10.0715 107.3055 45.4878 0.0000 173.8330 13 S 4.5826 7.3673 112.2284 56.2051 66.5887 175.7696 14 V 3.5679 8.2210 122.5520 66.1534 31.2889 178.4660 15 S 4.1381 7.9969 113.4253 61.3378 62.8688 176.2146 16 A 3.9559 7.8765 123.9820 54.6204 18.2779 179.1183 17 L 3.9391 8.2943 119.9762 57.7033 42.1181 178.9999 18 A 3.8918 8.2217 120.6941 55.1814 18.4377 179.5117 19 A 3.9271 8.4173 119.9158 55.2432 18.4470 179.8688 20 S 4.1104 8.4148 113.1265 61.3499 62.7103 176.0740 21 L 4.5512 7.8931 119.8683 53.6794 42.0513 176.6331 22 G 3.8653 7.9346 106.4211 46.9506 0.0000 173.6531 23 V 4.5603 7.7764 111.0714 58.5895 35.5477 176.0409 24 R 4.1185 8.1044 119.7447 55.9345 30.7905 178.0789 25 Q 3.8358 8.7524 120.9353 59.2903 28.5300 179.7233 26 S 4.0501 7.9897 114.4002 61.0896 62.9245 176.3522 27 A 3.6478 7.8270 124.5706 54.9414 18.0466 179.5424 28 I 2.7202 6.8651 117.6208 64.2442 37.0667 178.3330 29 S 4.0174 7.7240 113.8024 61.5662 62.0879 176.0554 30 N 4.3557 8.2296 119.4141 56.0332 38.3233 177.4373 31 W 4.5679 8.4754 120.7580 59.9368 28.9982 178.5438 32 R 3.9665 8.4062 118.5378 59.4389 29.3104 178.4584 33 A 4.1341 8.2327 120.2131 54.8399 18.4870 179.2312 34 R 4.2288 8.3700 113.3914 56.4043 30.0723 176.9110 35 G 3.7810 8.5344 106.0106 45.9525 0.0000 174.0349 36 R 4.2959 7.9053 120.6304 54.6320 31.9848 174.5760 37 V 3.1476 8.1032 125.8531 61.3285 32.4102 174.0003 38 P 4.0862 0.0000 0.0000 62.3217 32.1569 177.1415 39 A 3.9889 8.7218 125.5869 55.4091 18.3065 178.9762 40 E 4.2896 8.0353 110.4739 57.6519 30.1737 177.8056 41 R 4.4455 7.8675 118.7688 56.4771 30.7756 177.6674 42 C 4.0359 7.8821 117.5872 62.9052 28.0766 175.8698 43 I 3.5949 7.6980 120.8054 64.4352 36.6270 178.0412 44 D 4.3574 8.0281 119.2064 57.4520 40.7371 178.8130 45 I 3.7496 7.9394 120.3588 64.2505 37.0765 177.9371 46 E 4.2186 8.3347 121.8772 58.6077 29.3168 178.9704 47 R 3.8332 8.2302 118.7778 59.7335 30.0753 179.0711 48 V 3.7177 7.9990 111.1066 63.8080 31.8053 177.6402 49 T 4.3217 8.0086 108.3232 60.5910 68.7422 174.4767 50 N 4.1390 9.2495 117.5343 54.5237 36.7859 175.3854 51 G 3.8951 8.4097 104.9751 45.0729 0.0000 175.0710 52 A 4.1330 7.8548 123.0293 54.3473 18.6079 178.5500 53 V 4.6472 7.5810 112.6410 59.2403 34.5135 174.6865 54 I 4.5343 8.1693 115.1863 58.8419 41.4205 176.4359 55 C 3.5844 8.6888 118.3362 63.1748 27.4990 176.9960 56 R 4.0484 7.6885 117.4636 58.8826 29.7359 178.4658 57 E 4.1466 7.9686 117.7250 59.1116 29.6719 178.7216 58 L 4.3063 7.6161 118.0441 56.7095 43.1727 178.3267 59 R 4.7187 8.3119 118.8393 53.6729 31.2919 173.7661 60 P 4.3819 0.0000 0.0000 65.1997 31.8663 178.5553 61 D 4.4520 8.1248 117.3201 55.0350 39.8045 176.8654 62 V 3.8799 7.7013 118.2442 63.6660 32.9096 175.1653 63 F 4.4536 8.2484 121.8761 57.5191 38.9285 175.4067 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 4.39 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 N 8.39 4.33 0.00 2.90 2.86 0.00 0.00 6.94 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.47 4.04 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 4 I 8.29 3.76 2.10 0.00 0.00 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 1.71 0.79 1.02 0.00 0.00 5 D 8.31 4.38 0.00 2.90 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 6 I 7.86 3.68 2.04 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 1.46 1.08 0.91 0.00 0.00 7 A 8.00 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 3.68 2.01 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 1.41 0.61 0.91 0.00 0.00 9 N 8.17 4.22 0.00 2.81 3.11 0.00 0.00 7.20 7.55 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 10 K 7.91 4.09 0.00 1.79 1.97 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.52 7.81 11 L 7.97 4.24 0.00 1.79 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 G 10.07 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.37 4.58 0.00 4.00 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 14 V 8.22 3.57 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 1.09 0.00 0.00 0.90 0.00 0.00 15 S 8.00 4.14 0.00 4.06 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 0.00 16 A 7.88 3.96 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 17 L 8.29 3.94 0.00 1.78 1.79 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.22 3.89 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 19 A 8.42 3.93 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 20 S 8.41 4.11 0.00 4.06 4.29 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 21 L 7.89 4.55 0.00 1.75 1.90 1.20 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.93 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 0.00 0.00 0.00 23 V 7.78 4.56 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 0.99 0.00 0.00 0.81 0.00 0.00 24 R 8.10 4.12 0.00 1.83 1.77 0.00 3.18 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 25 Q 8.75 3.84 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 26 S 7.99 4.05 0.00 3.98 4.07 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 27 A 7.83 3.65 0.97 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 0.00 0.00 28 I 6.87 2.72 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.04 0.81 0.00 0.00 29 S 7.72 4.02 0.00 3.83 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 N 8.23 4.36 0.00 2.88 2.94 0.00 0.00 7.06 7.40 0.00 0.00 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 W 8.48 4.57 0.00 3.45 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.97 0.00 2.07 2.09 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 33 A 8.23 4.13 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 34 R 8.37 4.23 0.00 2.01 2.29 0.00 3.19 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 35 G 8.53 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.91 4.30 0.00 1.77 1.80 0.00 3.23 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 37 V 8.10 3.15 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 0.25 0.00 0.00 0.93 0.00 0.00 38 P 0.00 4.09 0.00 1.91 1.90 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 39 A 8.72 3.99 1.23 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 0.00 0.00 0.00 40 E 8.04 4.29 0.00 2.09 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 2.25 2.27 0.00 41 R 7.87 4.45 0.00 1.50 1.87 0.00 3.29 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.79 0.00 42 C 7.88 4.04 0.00 3.04 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.59 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.89 0.00 0.00 44 D 8.03 4.36 0.00 2.87 2.75 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 45 I 7.94 3.75 1.96 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 1.53 1.09 0.94 0.00 0.00 46 E 8.33 4.22 0.00 1.96 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 2.25 2.30 0.00 47 R 8.23 3.83 0.00 1.99 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 V 8.00 3.72 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 0.94 0.00 0.00 1.04 0.00 0.00 49 T 8.01 4.32 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 1.30 0.00 0.00 50 N 9.25 4.14 0.00 2.84 2.90 0.00 0.00 7.04 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.41 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.85 4.13 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 53 V 7.58 4.65 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 0.83 0.00 0.00 0.96 0.00 0.00 54 I 8.17 4.53 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.86 0.00 0.00 55 C 8.69 3.58 0.00 2.20 1.18 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 0.00 56 R 7.69 4.05 0.00 1.77 2.02 0.00 3.22 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 57 E 7.97 4.15 0.00 2.09 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 2.30 2.38 0.00 58 L 7.62 4.31 0.00 1.73 1.69 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.31 4.72 0.00 2.05 1.98 0.00 3.29 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 60 P 0.00 4.38 0.00 2.20 2.29 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 61 D 8.12 4.45 0.00 2.78 2.84 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 62 V 7.70 3.88 1.94 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 0.02 0.00 0.00 0.81 0.00 0.00 63 F 8.25 4.45 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00