NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5160 8.3049 120.3325 55.0994 33.4531 174.6745 2 K 4.3038 8.4797 121.6365 54.7404 33.7347 175.3445 3 K 4.6325 9.1200 122.5559 56.7862 34.6062 175.1839 4 Y 4.8968 8.9418 119.3386 56.4470 42.0665 174.4682 5 T 5.0802 8.7328 116.8895 60.1938 71.0489 172.4906 6 C 3.4582 8.8208 129.4675 59.0653 32.1225 174.0861 7 T 4.1786 8.4909 116.3133 62.5130 69.2363 176.1038 8 V 3.8032 7.6744 122.3220 65.3907 31.8617 176.1951 9 C 4.5623 8.0906 110.9612 57.4822 31.1987 174.6006 10 G 3.9734 8.1794 107.9987 44.5923 0.0000 173.1067 11 Y 4.2859 7.9962 121.2867 58.3849 39.9490 174.7726 12 I 4.7125 7.5315 126.1446 59.5558 39.0681 174.3553 13 Y 4.2973 9.2011 129.8304 56.9784 40.1550 173.4362 14 N 4.9486 7.9443 126.1502 50.9216 40.5118 173.4861 15 P 4.1554 0.0000 0.0000 65.5234 31.7027 178.4771 16 E 4.0899 8.1984 118.3854 58.9450 29.4920 177.6788 17 D 4.4540 8.0040 117.1806 54.0154 42.0844 178.0347 18 G 3.9609 7.6653 107.2884 45.3829 0.0000 172.9288 19 D 4.9876 8.6924 111.9613 52.1187 41.5958 175.3231 20 P 4.4685 0.0000 0.0000 65.6937 32.0539 179.3222 21 D 4.4672 8.2330 117.6395 56.4786 40.8904 176.5312 22 N 4.8543 8.3274 115.4066 52.9721 38.7464 175.6135 23 G 3.7999 8.3478 105.5109 45.4940 0.0000 174.2278 24 V 4.0589 7.4459 119.9286 60.7779 31.4252 174.9545 25 N 4.8298 8.3651 125.1616 51.9053 39.3079 173.1789 26 P 4.0958 0.0000 0.0000 64.8274 31.7629 176.8689 27 G 3.8952 9.3862 110.4722 45.6625 0.0000 173.1362 28 T 4.2789 7.2992 116.6981 61.8267 69.3102 174.4993 29 D 4.5259 8.5096 126.4598 53.8805 42.4189 176.4186 30 F 3.3739 9.0271 128.0337 60.9445 39.3068 177.4426 31 K 3.8106 7.8583 118.0084 59.3972 32.3657 177.1230 32 D 4.4849 7.4942 117.0789 54.2038 41.2966 176.7999 33 I 3.3875 6.6271 121.2482 60.1688 37.5597 174.2007 34 P 4.1427 0.0000 0.0000 63.4171 31.5697 176.5945 35 D 4.5218 8.5844 120.5041 55.3263 40.9437 176.5245 36 D 4.7049 7.7576 117.8873 52.6468 40.1867 176.5706 37 W 4.2270 7.9638 130.6049 57.6552 31.2367 175.3030 38 V 4.2256 6.7593 116.0859 58.6789 35.1269 175.0787 39 C 3.4877 8.4655 122.4253 59.1142 31.5863 173.3143 40 P 4.1367 0.0000 0.0000 64.9036 31.3570 177.3695 41 L 4.2550 7.5577 118.4123 56.5465 42.2025 177.1128 42 C 4.4838 7.9919 109.2571 57.4042 30.9843 174.7026 43 G 3.7973 7.9609 108.4317 45.3632 0.0000 174.1725 44 V 3.8265 7.3327 112.9850 60.6303 32.6453 176.0645 45 G 4.2009 8.3298 111.0785 44.5750 0.0000 174.8960 46 K 4.2350 8.7247 118.1035 59.4270 32.0159 178.9314 47 D 4.7102 8.2914 116.0730 55.1536 39.5834 176.3553 48 Q 4.6526 8.4780 118.7144 56.0214 29.8827 174.9347 49 F 5.2053 8.6648 118.3436 56.2719 40.9958 175.1908 50 E 4.8877 8.9777 120.0296 54.1067 33.9068 174.8583 51 E 2.7096 8.5965 123.3488 56.2583 30.4179 176.2164 52 V 3.9582 7.7953 127.1711 61.5250 32.3517 175.7054 53 E 4.1081 8.5705 126.6801 56.6544 29.4813 176.5795 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 4.52 0.00 2.11 2.11 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 2.63 0.00 2 K 8.48 4.30 0.00 1.93 1.65 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.68 7.81 3 K 9.12 4.63 0.00 1.68 1.78 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 1.49 1.45 7.81 4 Y 8.94 4.90 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 5.08 4.20 0.00 0.00 0.00 0.00 0.00 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 6 C 8.82 3.46 0.00 2.16 2.61 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 7 T 8.49 4.18 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 1.25 0.00 0.00 8 V 7.67 3.80 2.03 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 0.82 0.00 0.00 0.92 0.00 0.00 9 C 8.09 4.56 0.00 3.09 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 10 G 8.18 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 0.00 0.00 0.00 11 Y 8.00 4.29 0.00 3.15 2.93 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 12 I 7.53 4.71 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.86 0.00 0.00 13 Y 9.20 4.30 0.00 3.58 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 14 N 7.94 4.95 0.00 2.62 2.56 0.00 0.00 6.92 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 2.55 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 16 E 8.20 4.09 0.00 2.06 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 2.25 0.00 17 D 8.00 4.45 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 18 G 7.67 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 8.69 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 4.47 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 2.12 2.04 0.00 21 D 8.23 4.47 0.00 2.75 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 22 N 8.33 4.85 0.00 3.12 2.93 0.00 0.00 7.11 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 23 G 8.35 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 7.45 4.06 2.28 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 0.98 0.00 0.00 0.63 0.00 0.00 25 N 8.37 4.83 0.00 2.87 2.72 0.00 0.00 7.03 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 4.10 0.00 2.03 2.21 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 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 7.30 4.28 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 8.51 4.53 0.00 2.68 2.61 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 30 F 9.03 3.37 0.00 2.53 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 0.00 0.00 0.00 31 K 7.86 3.81 0.00 1.84 1.91 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 32 D 7.49 4.48 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 6.63 3.39 0.95 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.09 -0.12 0.00 0.00 34 P 0.00 4.14 0.00 2.23 1.95 0.00 3.38 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 35 D 8.58 4.52 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 7.76 4.70 0.00 2.77 2.76 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 37 W 7.96 4.23 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 6.76 4.23 1.96 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 0.69 0.00 0.00 0.63 0.00 0.00 39 C 8.47 3.49 0.00 3.14 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 40 P 0.00 4.14 0.00 2.05 2.07 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.11 0.00 41 L 7.56 4.25 0.00 1.59 1.73 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.99 4.48 0.00 3.02 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 43 G 7.96 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 44 V 7.33 3.83 2.13 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 0.71 0.00 0.00 0.99 0.00 0.00 45 G 8.33 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.23 0.00 1.88 1.95 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.72 7.81 47 D 8.29 4.71 0.00 2.85 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 8.48 4.65 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 49 F 8.66 5.21 0.00 3.25 2.93 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 50 E 8.98 4.89 0.00 1.84 1.74 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 2.28 2.27 0.00 51 E 8.60 2.71 0.00 1.64 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.00 52 V 7.80 3.96 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 0.74 0.00 0.00 0.84 0.00 0.00 53 E 8.57 4.11 0.00 1.92 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 2.26 2.31 0.00