NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5069 8.3049 120.3322 55.1064 33.4424 174.7030 2 K 4.2950 8.4308 120.4183 54.9847 33.7796 175.2240 3 K 4.7006 9.0592 121.9339 56.3829 34.8609 175.1475 4 Y 4.9366 8.9053 120.0962 56.4002 41.8153 174.4839 5 T 5.0762 8.7470 117.2398 60.0965 70.9240 172.5553 6 C 3.4553 8.9501 129.6193 59.2248 31.9364 174.2778 7 T 4.0248 8.5739 117.1227 63.1175 69.0866 176.0681 8 V 3.7953 7.6472 122.2005 65.1649 31.7507 175.9485 9 C 4.6780 7.7469 109.6065 56.8602 30.7485 174.7058 10 G 3.9095 8.5746 109.3595 44.9993 0.0000 173.1714 11 Y 4.2364 7.8207 120.9643 58.5522 39.8613 174.8895 12 I 4.7542 7.5150 126.1006 59.5860 39.2182 174.3757 13 Y 4.3606 9.4307 129.8788 57.0282 40.1844 173.4136 14 N 4.8657 7.9426 125.9571 50.8902 40.6663 173.4213 15 P 4.1578 0.0000 0.0000 65.6025 31.7027 178.4656 16 E 4.0745 8.3327 118.2701 58.9362 29.4994 177.6803 17 D 4.4630 7.9646 117.1699 54.0634 42.1823 178.1713 18 G 3.9604 7.8395 107.3048 45.4565 0.0000 173.5448 19 D 4.9894 8.8003 112.4358 52.3467 41.9052 175.1697 20 P 4.4585 0.0000 0.0000 65.8003 32.0278 179.2884 21 D 4.4306 8.2531 117.6081 56.5084 40.8715 176.5385 22 N 4.8651 8.4161 114.9249 52.9911 38.8828 175.4411 23 G 3.8024 8.4546 105.5289 45.4622 0.0000 174.3614 24 V 4.0704 7.6678 120.3901 60.6658 31.1373 175.1302 25 N 4.8411 8.3110 124.8762 51.8753 39.2916 173.2049 26 P 4.1196 0.0000 0.0000 64.8410 31.7380 176.9818 27 G 3.8991 9.3883 110.4526 45.6298 0.0000 173.1556 28 T 4.2884 7.2601 116.3931 61.8574 69.3203 174.5487 29 D 4.5766 8.4785 126.2786 53.8110 42.4620 176.4820 30 F 3.4390 8.9914 127.2787 60.9079 39.3642 177.4928 31 K 3.8234 7.8966 118.2155 59.4952 32.3444 177.1756 32 D 4.4612 7.6419 117.2112 54.5061 41.2263 176.7973 33 I 3.4422 6.7309 121.0376 60.0373 37.6439 174.2661 34 P 4.1774 0.0000 0.0000 63.2818 31.5945 176.6697 35 D 4.5292 8.5803 120.2754 55.3693 40.8215 176.4886 36 D 4.7488 7.7781 117.8340 52.5693 40.0399 176.4290 37 W 4.2720 8.0243 130.3363 57.5285 31.2640 175.4892 38 V 4.2767 6.8851 116.1894 58.7076 34.8363 175.1505 39 C 3.5242 8.3869 122.4404 59.1239 31.7336 173.3858 40 P 4.0611 0.0000 0.0000 65.0881 31.3422 177.6022 41 L 4.2324 7.5865 117.1114 56.5000 42.1195 177.6282 42 S 4.4093 7.8969 109.7301 57.5313 64.1452 175.0512 43 G 3.7604 8.0107 108.8440 45.7275 0.0000 173.8688 44 V 4.0782 7.2649 112.9326 59.7018 33.2133 175.9282 45 G 4.2160 8.2535 110.8280 44.5917 0.0000 174.8968 46 K 4.2219 8.7478 118.1988 59.4111 32.0147 178.9813 47 D 4.6955 8.2689 116.2894 55.2109 39.6306 176.5368 48 Q 4.5464 8.5809 119.3649 55.9942 28.9011 174.8023 49 F 5.3907 8.4065 117.3750 56.2651 41.1315 174.9722 50 E 4.9151 8.9420 117.6698 54.4442 33.3510 174.4551 51 E 3.0420 8.5478 120.3236 56.7371 30.2367 177.0617 52 V 3.8360 8.1856 125.0069 61.9464 31.6870 174.8202 53 E 4.4452 8.5836 129.3062 54.5783 31.0615 175.5511 54 E 4.2422 8.5529 121.8270 56.4151 29.8763 175.6531 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 4.51 0.00 2.12 2.12 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 2.54 2.78 0.00 2 K 8.43 4.29 0.00 1.87 1.65 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.55 7.81 3 K 9.06 4.70 0.00 1.67 1.71 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 Y 8.91 4.94 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 5.08 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 1.16 0.00 0.00 6 C 8.95 3.46 0.00 2.32 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 4.02 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 1.21 0.00 0.00 8 V 7.65 3.80 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 0.81 0.00 0.00 0.91 0.00 0.00 9 C 7.75 4.68 0.00 3.07 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 10 G 8.57 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 0.00 0.00 0.00 11 Y 7.82 4.24 0.00 3.17 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 12 I 7.52 4.75 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.83 0.00 0.00 13 Y 9.43 4.36 0.00 3.59 3.17 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 14 N 7.94 4.87 0.00 2.62 2.54 0.00 0.00 6.93 7.71 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 15 P 0.00 4.16 0.00 2.28 2.54 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 16 E 8.33 4.07 0.00 2.15 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 2.32 2.26 0.00 17 D 7.96 4.46 0.00 2.68 2.70 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 18 G 7.84 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 19 D 8.80 4.99 0.00 3.17 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 20 P 0.00 4.46 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.25 4.43 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.42 4.87 0.00 3.16 2.97 0.00 0.00 7.05 7.65 0.00 0.00 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 G 8.45 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 24 V 7.67 4.07 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 0.92 0.00 0.00 0.58 0.00 0.00 25 N 8.31 4.84 0.00 2.87 2.72 0.00 0.00 7.02 8.03 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 26 P 0.00 4.12 0.00 2.03 2.21 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 27 G 9.39 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 28 T 7.26 4.29 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 1.06 0.00 0.00 29 D 8.48 4.58 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.99 3.44 0.00 2.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 3.82 0.00 1.84 1.92 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 32 D 7.64 4.46 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 6.73 3.44 0.99 0.00 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.13 -0.08 0.00 0.00 34 P 0.00 4.18 0.00 2.24 1.94 0.00 3.37 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 35 D 8.58 4.53 0.00 2.62 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 36 D 7.78 4.75 0.00 2.77 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 37 W 8.02 4.27 0.00 3.14 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 38 V 6.89 4.28 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 0.70 0.00 0.00 0.64 0.00 0.00 39 C 8.39 3.52 0.00 3.12 2.80 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 40 P 0.00 4.06 0.00 1.83 1.97 0.00 2.59 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.25 0.00 41 L 7.59 4.23 0.00 1.61 1.71 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.90 4.41 0.00 3.92 3.93 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 43 G 8.01 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 0.00 0.00 0.00 44 V 7.26 4.08 2.12 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 0.80 0.00 0.00 0.97 0.00 0.00 45 G 8.25 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 0.00 0.00 0.00 0.00 46 K 8.75 4.22 0.00 1.86 1.93 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.67 7.81 47 D 8.27 4.70 0.00 2.87 2.88 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 48 Q 8.58 4.55 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 49 F 8.41 5.39 0.00 3.26 2.96 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 50 E 8.94 4.92 0.00 1.97 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 2.19 2.25 0.00 51 E 8.55 3.04 0.00 1.62 1.62 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 1.47 1.89 0.00 52 V 8.19 3.84 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 0.64 0.00 0.00 0.85 0.00 0.00 53 E 8.58 4.45 0.00 1.87 1.76 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 2.19 2.30 0.00 54 E 8.55 4.24 0.00 2.05 1.86 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 2.16 2.30 0.00