NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2676 8.2649 123.5810 51.9598 19.8878 179.1061 2 K 4.2206 8.9711 118.2168 54.2117 31.7677 173.3511 3 G 3.9224 7.3646 109.3045 44.5786 0.0000 171.7751 4 I 4.1614 7.8921 111.7573 59.5412 37.1223 174.8602 5 R 4.6426 7.4374 122.6234 58.2015 37.7400 174.0925 6 E 4.2900 8.4570 117.4077 55.6267 30.6670 175.5406 7 K 4.8501 7.2291 121.2368 52.4117 31.7437 174.8687 8 I 4.6447 8.8365 125.3852 58.6430 41.8925 174.4332 9 K 4.3365 8.5218 126.8214 56.0267 32.2811 176.6135 10 L 4.0632 8.5605 128.0394 54.1880 41.3849 176.7882 11 V 3.3657 7.8634 126.2012 62.9046 31.5108 175.5882 12 S 4.3607 9.1807 118.1523 58.1158 62.4659 168.8606 13 S 4.2693 9.6562 116.7562 57.6361 65.2479 172.4977 14 A 2.5800 7.7345 122.6284 49.4727 21.5147 176.2265 15 G 3.8398 7.7762 107.4276 45.8150 0.0000 174.4013 16 T 3.3742 7.8501 110.5870 62.5751 67.8154 171.5972 17 G 3.7646 8.4803 113.9839 44.3114 0.0000 170.8806 18 H 3.5390 8.0280 121.1055 56.2656 29.1036 174.1691 19 F 4.8850 8.2020 128.8822 57.2786 40.3211 173.0349 20 Y 3.8837 8.4584 124.6193 58.3990 37.5181 174.4901 21 T 3.3312 8.4225 124.9958 63.7296 69.1796 172.0505 22 T 4.6220 8.2692 111.1640 59.3573 70.3102 172.9375 23 T 3.7249 7.9811 113.0265 61.8682 68.1220 173.7137 24 K 4.2672 8.2653 126.8372 58.2627 33.6688 174.2563 25 N 4.6132 7.9903 115.9975 53.6827 44.0862 173.2731 26 K 4.9689 9.0512 117.1444 54.7620 35.3552 176.7303 27 R 4.6680 8.3802 118.2598 56.1760 30.0596 177.1590 28 T 4.5493 7.7397 110.6322 64.7143 72.4137 173.9498 29 K 4.4807 7.7403 121.9001 53.9331 34.1526 173.3251 30 P 4.2531 0.0000 0.0000 63.4176 32.2740 176.5693 31 E 4.2095 9.7856 121.3248 56.6646 31.8034 174.7123 32 K 3.7074 8.4110 110.0669 55.8444 28.4785 175.7221 33 L 5.0080 6.8479 129.2108 55.1247 45.9606 172.3947 34 E 4.6271 8.0054 122.9918 55.5680 30.8418 174.2216 35 L 5.3196 8.0998 125.3342 53.5455 43.5405 176.1815 36 K 4.2726 8.4306 121.4214 56.0504 39.8256 174.5459 37 K 4.4511 9.0075 126.3109 56.0198 34.3633 179.2917 38 F 3.8609 9.3744 129.6699 59.2770 39.5225 171.7508 39 D 5.2223 6.9776 124.2223 51.2931 43.5583 173.2216 40 P 5.6896 0.0000 0.0000 62.5313 29.6880 177.7386 41 V 3.5966 8.0133 126.9507 64.0331 31.7501 177.0631 42 V 4.3338 7.2375 120.6549 61.5781 35.1021 177.0661 43 R 4.2516 8.3760 117.9598 56.6978 27.7978 175.2720 44 Q 4.3119 8.8535 124.4111 57.0516 31.4627 175.8298 45 H 5.3415 9.8185 115.8125 55.7482 36.7227 175.7113 46 V 3.1885 6.6487 125.8364 62.8314 33.0444 174.9232 47 I 3.0730 9.0717 119.3337 62.6943 35.6888 172.9449 48 Y 4.2766 8.7130 118.1753 61.3438 34.1545 169.1659 49 K 4.2805 8.1041 123.0155 55.9813 33.4971 177.4200 50 E 3.2605 7.9272 114.9360 57.1738 29.3981 174.2587 51 A 4.1199 8.1463 121.9194 53.9554 19.7071 177.1060 52 K 3.7548 8.5754 116.2223 56.7479 28.1301 176.7077 53 I 3.9141 7.4702 117.5126 60.7501 38.9877 175.1201 54 K 4.1073 8.5853 125.8284 56.8588 31.9616 176.4297 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 A 8.26 4.27 1.17 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 0.00 0.00 2 K 8.97 4.22 0.00 1.81 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.49 7.81 3 G 7.36 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.16 1.86 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 1.29 0.64 0.90 0.00 0.00 5 R 7.44 4.64 0.00 1.74 1.90 0.00 3.22 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 6 E 8.46 4.29 0.00 1.96 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 2.29 2.32 0.00 7 K 7.23 4.85 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 8 I 8.84 4.64 1.85 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 1.21 1.47 0.94 0.00 0.00 9 K 8.52 4.34 0.00 1.64 1.69 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.41 7.81 10 L 8.56 4.06 0.00 1.60 1.76 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.86 3.37 2.05 0.00 0.00 0.00 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 0.90 0.00 0.00 12 S 9.18 4.36 0.00 4.32 4.55 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 13 S 9.66 4.27 0.00 3.69 3.58 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 14 A 7.73 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.78 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 16 T 7.85 3.37 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 1.24 0.00 0.00 17 G 8.48 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 18 H 8.03 3.54 0.00 3.13 3.24 0.00 5.94 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.20 4.88 0.00 2.93 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 3.88 0.00 3.01 2.62 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 0.00 0.00 0.00 21 T 8.42 3.33 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 22 T 8.27 4.62 4.16 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 1.15 0.00 0.00 23 T 7.98 3.72 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 1.16 0.00 0.00 24 K 8.27 4.27 0.00 1.93 1.88 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.37 7.81 25 N 7.99 4.61 0.00 2.75 2.65 0.00 0.00 7.17 6.58 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 26 K 9.05 4.97 0.00 1.69 1.72 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.43 7.81 27 R 8.38 4.67 0.00 1.92 2.04 0.00 3.01 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 28 T 7.74 4.55 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 1.21 0.00 0.00 29 K 7.74 4.48 0.00 1.80 1.73 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 30 P 0.00 4.25 0.00 2.03 2.11 0.00 3.67 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 2.04 2.12 0.00 31 E 9.79 4.21 0.00 2.06 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 0.00 2.31 2.32 0.00 32 K 8.41 3.71 0.00 1.96 1.92 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.41 7.81 33 L 6.85 5.01 0.00 1.72 1.68 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 4.63 0.00 2.05 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 2.10 2.13 0.00 35 L 8.10 5.32 0.00 1.67 1.60 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.43 4.27 0.00 1.65 1.49 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.47 7.81 37 K 9.01 4.45 0.00 1.57 0.81 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.30 7.81 38 F 9.37 3.86 0.00 2.93 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 6.98 5.22 0.00 2.07 2.17 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 40 P 0.00 5.69 0.00 2.18 1.41 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.53 0.00 41 V 8.01 3.60 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 0.66 0.00 0.00 0.65 0.00 0.00 42 V 7.24 4.33 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 0.87 0.00 0.00 0.90 0.00 0.00 43 R 8.38 4.25 0.00 2.00 1.79 0.00 3.24 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 44 Q 8.85 4.31 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 45 H 9.82 5.34 0.00 3.15 2.57 0.00 5.96 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 6.65 3.19 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 0.75 0.00 0.00 0.99 0.00 0.00 47 I 9.07 3.07 2.16 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.96 0.00 0.00 48 Y 8.71 4.28 0.00 3.25 3.46 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 49 K 8.10 4.28 0.00 1.70 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 50 E 7.93 3.26 0.00 2.03 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 0.00 2.28 2.24 0.00 51 A 8.15 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 52 K 8.58 3.75 0.00 2.18 1.98 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.40 7.81 53 I 7.47 3.91 1.87 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 1.30 0.75 0.91 0.00 0.00 54 K 8.59 4.11 0.00 1.76 1.69 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81