NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4481 8.3049 120.3493 54.7146 34.0794 175.7083 2 K 4.3850 7.6852 116.0834 52.0939 35.4130 174.1399 3 P 4.6499 0.0000 0.0000 61.5853 34.3759 175.5476 4 V 4.0929 8.0155 117.0305 61.9870 32.7442 175.3921 5 T 4.7971 8.0097 116.4457 60.8689 72.7116 175.1939 6 L 3.8705 8.5748 125.8478 58.4752 42.0747 179.0018 7 Y 4.0135 7.6519 116.2779 60.9843 37.6551 178.3077 8 D 4.3969 8.0619 119.6774 57.4596 41.0057 178.9438 9 V 3.6152 7.8060 118.0436 65.7002 31.5999 177.7888 10 A 4.0277 8.2500 120.8217 55.2645 18.1001 179.3082 11 E 3.9562 8.0758 116.5191 59.4658 29.7844 177.9596 12 Y 4.1157 8.3013 119.0308 60.6374 38.9800 177.6259 13 A 4.2199 8.3092 120.3086 52.5204 18.5886 177.6924 14 G 3.8042 7.7243 104.4346 46.8752 0.0000 173.6338 15 V 4.5620 7.4116 113.9096 59.1104 34.6120 176.5190 16 S 4.5598 7.8433 115.7707 59.1885 62.9196 174.1064 17 Y 4.0803 8.1204 128.4569 59.5580 38.8318 171.2662 18 Q 3.4570 7.8647 117.2822 59.8810 28.0607 179.0235 19 T 3.8726 7.6973 115.6289 66.1979 68.8369 176.0737 20 V 3.6619 7.7484 121.3188 65.7224 31.4298 178.1126 21 S 4.1336 7.5780 113.6669 61.0774 63.0820 176.4350 22 R 3.8939 7.7021 121.7411 58.8099 29.4690 178.9292 23 V 3.6393 7.4574 117.3748 65.5255 31.6445 177.5505 24 V 4.1332 7.6201 108.3990 61.8239 31.9629 176.1430 25 N 4.7039 7.3125 115.9818 53.3928 40.8931 175.2781 26 Q 4.5373 8.2234 116.9800 54.8365 31.0255 174.5598 27 A 4.1230 7.9824 121.8386 52.3619 19.3360 175.7310 28 S 4.4420 8.1819 114.3308 58.3317 65.9894 175.0291 29 H 4.5280 8.2887 120.2312 53.5044 27.9243 174.7060 30 V 4.3401 7.1240 118.6959 60.6986 33.8443 176.0465 31 S 4.2913 8.4931 122.8823 58.3470 64.7638 175.2410 32 A 3.9880 8.6188 126.6214 55.4030 17.8644 180.4639 33 K 3.9773 7.9666 116.5463 59.8077 32.0367 179.6319 34 T 3.8496 7.7024 115.8607 66.5767 68.5227 177.0667 35 R 3.9730 8.2436 118.1301 58.8018 29.3143 178.3512 36 E 3.9001 8.1861 120.3347 59.2615 29.6072 179.0988 37 K 4.0233 7.5748 117.8205 59.7067 32.1193 179.9008 38 V 3.7077 7.5906 112.5549 64.3663 31.3260 178.5826 39 E 3.9510 8.5152 118.4266 59.3302 29.3390 179.0852 40 A 4.0294 7.8533 120.7103 55.1962 18.4416 179.6241 41 A 4.0704 8.1168 119.2674 55.5626 18.6320 179.8137 42 M 4.0286 8.3923 117.3069 58.5463 31.6007 178.8792 43 A 4.0981 8.2944 120.9339 54.6094 18.3279 179.4574 44 E 3.8380 7.9062 117.8963 59.1988 29.7124 177.7735 45 L 4.1072 7.6528 115.4542 54.0914 42.1651 174.5917 46 N 3.9963 7.2793 120.6059 53.7497 36.6412 170.7450 47 Y 4.5303 8.5544 122.1509 56.0021 38.9450 174.8259 48 I 4.0531 7.8024 128.5087 58.4043 39.0153 173.6573 49 P 3.9543 0.0000 0.0000 62.4792 30.6390 175.8367 50 N 4.5295 8.3052 121.0570 52.4413 38.2201 176.0781 51 R 4.3789 8.0920 120.2920 55.1666 28.6235 174.7829 52 C 4.8803 7.4706 118.9252 59.6281 37.3782 175.2017 53 A 4.5261 7.8272 118.7957 52.7679 17.0006 178.8719 54 Q 4.0625 7.7462 118.2190 58.9612 29.1100 178.3007 55 Q 4.2528 7.9035 118.1800 59.3336 28.5451 178.0779 56 L 3.9504 7.8683 120.6991 57.6355 42.3181 178.3577 57 A 4.1559 7.5253 118.6966 52.9874 19.4075 177.5115 58 G 4.1932 7.5734 107.0611 46.4215 0.0000 172.8174 59 K 4.3763 7.6168 116.8541 55.4687 34.3748 178.2714 60 Q 4.4313 8.4713 116.9980 57.4779 28.7718 176.4700 61 S 4.6434 7.4627 112.8562 56.8609 67.2526 174.0945 62 L 4.2039 8.4950 123.4719 56.0208 40.5017 176.5862 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 4.45 0.00 2.00 2.16 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 2.48 2.57 0.00 2 K 7.69 4.39 0.00 1.81 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.49 7.81 3 P 0.00 4.65 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 4 V 8.02 4.09 2.11 0.00 0.00 0.00 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 1.07 0.00 0.00 5 T 8.01 4.80 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 6 L 8.57 3.87 0.00 1.59 1.43 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.65 4.01 0.00 2.99 2.87 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 8 D 8.06 4.40 0.00 2.94 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 9 V 7.81 3.62 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 0.96 0.00 0.00 0.93 0.00 0.00 10 A 8.25 4.03 1.52 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 0.00 0.00 11 E 8.08 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 2.36 2.34 0.00 12 Y 8.30 4.12 0.00 3.06 2.99 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 0.00 0.00 0.00 13 A 8.31 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 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 15 V 7.41 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 16 S 7.84 4.56 0.00 4.19 3.97 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 17 Y 8.12 4.08 0.00 3.11 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 18 Q 7.86 3.46 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 19 T 7.70 3.87 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 1.19 0.00 0.00 20 V 7.75 3.66 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 0.93 0.00 0.00 0.92 0.00 0.00 21 S 7.58 4.13 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.89 0.00 1.94 1.97 0.00 3.11 0.00 0.00 3.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 23 V 7.46 3.64 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 0.79 0.00 0.00 1.01 0.00 0.00 24 V 7.62 4.13 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 0.98 0.00 0.00 1.19 0.00 0.00 25 N 7.31 4.70 0.00 2.86 2.86 0.00 0.00 6.90 6.94 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 26 Q 8.22 4.54 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 27 A 7.98 4.12 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 28 S 8.18 4.44 0.00 3.95 3.73 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 29 H 8.29 4.53 0.00 3.17 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.12 4.34 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 0.90 0.00 0.00 0.92 0.00 0.00 31 S 8.49 4.29 0.00 3.90 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 32 A 8.62 3.99 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 33 K 7.97 3.98 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 34 T 7.70 3.85 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 1.21 0.00 0.00 35 R 8.24 3.97 0.00 2.03 2.18 0.00 2.78 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 36 E 8.19 3.90 0.00 2.28 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 0.00 2.32 2.37 0.00 37 K 7.57 4.02 0.00 1.91 1.84 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 38 V 7.59 3.71 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 0.84 0.00 0.00 0.99 0.00 0.00 39 E 8.52 3.95 0.00 2.22 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 2.34 2.51 0.00 40 A 7.85 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.07 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.39 4.03 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 43 A 8.29 4.10 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 E 7.91 3.84 0.00 2.12 1.65 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 0.00 1.77 2.02 0.00 45 L 7.65 4.11 0.00 1.63 1.66 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.28 4.00 0.00 2.99 2.85 0.00 0.00 7.05 7.41 0.00 0.00 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 Y 8.55 4.53 0.00 2.89 2.89 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 0.00 0.00 0.00 48 I 7.80 4.05 1.77 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 1.34 0.84 0.81 0.00 0.00 49 P 0.00 3.95 0.00 1.91 1.90 0.00 3.47 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 50 N 8.31 4.53 0.00 2.81 2.78 0.00 0.00 6.24 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 51 R 8.09 4.38 0.00 1.78 1.93 0.00 3.39 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 52 C 7.47 4.88 0.00 2.95 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 53 A 7.83 4.53 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.75 4.06 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 55 Q 7.90 4.25 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 56 L 7.87 3.95 0.00 1.65 1.76 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.53 4.16 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 58 G 7.57 4.19 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 0.00 0.00 0.00 59 K 7.62 4.38 0.00 1.95 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.57 7.81 60 Q 8.47 4.43 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 61 S 7.46 4.64 0.00 3.86 3.70 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 62 L 8.49 4.20 0.00 1.73 1.65 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00