NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2734 8.1127 120.8599 56.6835 32.2206 177.2786 2 M 3.8310 8.0368 116.7872 57.6426 32.1647 176.1224 3 K 4.0591 8.2260 120.8778 58.9914 32.7287 177.6351 4 Q 3.9745 8.0866 119.0730 59.2754 28.8623 178.2609 5 I 3.7007 7.6399 120.2647 64.5115 37.1653 178.1732 6 E 3.9552 8.3987 119.5322 59.6126 29.2718 179.2016 7 D 4.4729 8.5563 119.2141 57.3608 40.7869 179.1012 8 K 4.0123 8.1964 118.9425 59.4123 31.9918 179.3750 9 I 3.6867 8.0398 120.3962 64.6050 37.1118 178.3072 10 E 4.0135 8.2879 119.2274 59.3801 29.2485 179.3854 11 E 3.9771 8.0888 118.2862 59.2695 29.4780 179.1911 12 I 3.6994 7.9732 120.1055 64.6123 37.2885 178.2783 13 E 3.9565 8.5256 119.5642 59.5181 29.2947 179.6840 14 S 4.1034 8.0005 114.9727 61.5639 62.9244 176.7328 15 K 3.9790 8.1635 122.2687 59.3959 31.7988 178.6746 16 Q 3.9648 8.2934 120.3082 58.9763 28.9543 178.2894 17 K 4.2021 7.9703 120.8452 58.6823 32.0719 179.1090 18 K 3.8878 7.9846 119.8506 59.6571 32.0554 178.8271 19 I 3.6935 7.8707 119.9161 64.5255 36.8714 178.3273 20 E 3.9681 8.4210 119.5294 59.4133 29.2613 179.1866 21 N 4.4156 8.3339 116.6130 56.2577 38.5951 177.0624 22 E 3.9384 8.1646 120.6919 59.3275 29.6436 178.9307 23 I 3.6850 8.0275 119.7541 64.3085 37.2969 178.1713 24 A 3.9871 8.0860 121.5727 55.2839 18.1652 179.9354 25 R 3.8867 8.0520 116.4641 59.4414 30.1346 179.4038 26 I 3.7186 7.9229 119.6127 64.3336 37.0799 178.5911 27 K 4.0089 8.3460 119.6220 59.4495 31.9805 179.5793 28 K 3.9753 7.9610 118.3185 59.3192 31.9853 179.2273 29 L 3.9654 7.9607 120.7170 57.9809 42.0048 178.6613 30 L 3.9887 8.4052 120.7836 58.3343 42.0104 178.9473 31 Q 4.0593 8.3255 118.0107 59.0124 28.5409 178.8776 32 L 4.0869 7.9264 119.8938 58.0167 41.6747 179.7013 33 T 3.9781 8.0413 109.8585 64.6111 68.7608 176.9575 34 V 3.6079 8.0779 121.2393 65.5450 31.4931 177.7477 35 W 4.1700 8.4767 128.2870 60.4985 30.4658 178.1423 36 G 3.7544 8.8034 105.9542 47.9410 0.0000 175.7710 37 I 3.6902 7.9030 122.1782 63.9493 37.1174 178.4635 38 K 3.7850 7.9526 120.5474 59.3821 32.1129 178.7308 39 Q 3.5315 7.6490 120.0447 58.9206 28.8317 178.1602 40 L 3.9350 8.0037 120.3959 57.7240 41.6340 179.2191 41 Q 3.8942 8.3002 119.6216 59.1210 28.7492 178.2173 42 A 3.9822 7.6884 120.8523 55.1298 18.4739 179.3666 43 R 3.9511 7.6283 115.8163 59.1488 30.1464 178.5850 44 I 3.9055 7.3926 119.3264 64.0322 37.3291 176.4181 45 L 4.3024 8.1410 123.3835 54.9607 41.7154 176.6706 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 R 8.11 4.27 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 8.04 3.83 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 3 K 8.23 4.06 0.00 1.90 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.43 7.81 4 Q 8.09 3.97 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 I 7.64 3.70 2.06 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 1.52 0.53 0.91 0.00 0.00 6 E 8.40 3.96 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 7 D 8.56 4.47 0.00 2.86 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 8 K 8.20 4.01 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.60 7.81 9 I 8.04 3.69 2.03 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 1.52 0.80 0.91 0.00 0.00 10 E 8.29 4.01 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 11 E 8.09 3.98 0.00 2.15 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 2.33 2.49 0.00 12 I 7.97 3.70 2.02 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 1.52 0.76 0.91 0.00 0.00 13 E 8.53 3.96 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 14 S 8.00 4.10 0.00 4.02 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 15 K 8.16 3.98 0.00 2.09 1.89 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 16 Q 8.29 3.96 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 K 7.97 4.20 0.00 2.04 1.84 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.43 7.81 18 K 7.98 3.89 0.00 1.84 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 I 7.87 3.69 2.02 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 1.52 0.48 0.91 0.00 0.00 20 E 8.42 3.97 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 21 N 8.33 4.42 0.00 2.88 2.86 0.00 0.00 6.65 7.26 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 22 E 8.16 3.94 0.00 2.27 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 0.00 2.31 2.35 0.00 23 I 8.03 3.69 2.01 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 0.65 0.91 0.00 0.00 24 A 8.09 3.99 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 25 R 8.05 3.89 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 26 I 7.92 3.72 1.99 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 1.52 0.66 0.92 0.00 0.00 27 K 8.35 4.01 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 28 K 7.96 3.98 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 29 L 7.96 3.97 0.00 1.77 1.80 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.41 3.99 0.00 1.83 1.88 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.33 4.06 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 32 L 7.93 4.09 0.00 1.91 1.72 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.04 3.98 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 1.30 0.00 0.00 34 V 8.08 3.61 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 35 W 8.48 4.17 0.00 3.48 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 3.75 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 0.00 0.00 0.00 37 I 7.90 3.69 2.00 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 1.40 0.77 0.88 0.00 0.00 38 K 7.95 3.79 0.00 1.82 1.58 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.34 7.81 39 Q 7.65 3.53 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 40 L 8.00 3.93 0.00 1.79 1.66 0.92 0.90 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 41 Q 8.30 3.89 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.69 3.98 1.26 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 0.00 0.00 0.00 43 R 7.63 3.95 0.00 1.82 2.05 0.00 3.25 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 44 I 7.39 3.91 1.96 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 1.50 0.67 0.89 0.00 0.00 45 L 8.14 4.30 0.00 1.68 1.55 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00