NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4623 8.1633 120.2855 55.4406 34.2053 173.7795 2 T 4.6825 8.2324 118.3550 62.5736 69.6093 172.4915 3 Y 5.0654 9.2243 124.0026 56.1417 41.8612 174.2458 4 K 4.9893 8.9734 123.4444 54.5675 35.5646 174.3318 5 L 4.9729 8.7197 128.2899 53.2140 44.7159 174.7559 6 I 4.6393 8.3745 126.8700 59.5900 39.8592 174.4227 7 L 4.5947 9.1326 127.8721 52.6805 43.3037 176.9823 8 N 5.0718 7.8797 124.5867 52.1161 37.3558 174.7091 9 G 4.2463 8.5964 109.0203 44.6799 0.0000 173.0456 10 K 4.1236 8.6491 119.3261 58.7463 32.1202 178.4629 11 T 4.4031 7.7775 105.5723 60.9536 70.9093 173.3475 12 L 4.4885 7.7628 124.8365 53.3788 42.8199 174.7130 13 K 5.0305 8.3053 125.0413 54.7757 35.6318 175.9617 14 G 4.1612 8.3509 110.6653 46.4829 0.0000 171.2901 15 E 5.2733 8.6863 116.3032 55.6722 32.7877 174.0226 16 T 4.7675 8.5160 114.4393 61.6178 71.5394 171.9028 17 T 5.4400 8.2633 113.4152 60.6871 72.3972 172.5148 18 T 4.6264 8.7456 114.9078 61.3824 71.4950 171.6408 19 E 5.3339 8.6482 124.0918 54.8695 31.3070 175.5514 20 A 4.7030 8.7596 124.6322 50.5025 21.9628 177.0726 21 V 3.7331 8.6808 114.9930 64.3182 31.7048 176.0196 22 D 4.9935 7.9873 119.5141 52.1861 43.5684 176.0255 23 A 3.2818 8.5628 120.3112 54.7739 18.3718 179.3908 24 A 3.8535 7.8918 119.3276 55.6090 18.4325 179.8148 25 T 3.7938 8.1358 108.0059 64.6633 68.7696 176.7202 26 A 3.4845 7.1588 123.1082 54.6463 18.2628 179.2739 27 E 3.3579 7.6895 116.9213 59.4546 29.5507 179.8619 28 K 3.7785 7.2625 117.0503 59.2496 31.9954 179.6852 29 V 3.3783 7.5007 118.3249 66.0913 31.4253 178.1557 30 F 4.4399 7.8222 117.8153 60.3585 38.6893 177.5933 31 K 3.5595 7.9263 119.3240 59.4444 31.8596 178.6913 32 Q 3.9302 8.0289 119.8102 59.2310 28.9239 177.3699 33 Y 3.9775 8.5027 120.7623 60.7561 38.8130 177.9569 34 A 4.1916 9.1579 122.2651 55.2173 18.4728 179.0889 35 N 4.2937 8.4415 115.5975 57.0999 38.8785 176.9002 36 D 4.3798 8.2687 119.1507 56.6752 40.8667 177.4884 37 N 4.6971 7.4771 114.5323 51.9108 39.0053 174.8784 38 G 3.8101 8.2249 108.6682 46.8069 0.0000 174.1088 39 V 4.3347 8.1343 119.6583 60.6625 33.0419 174.4645 40 D 5.0513 8.2839 126.2096 52.5797 44.7549 175.8288 41 G 3.9186 8.0684 109.4865 46.0071 0.0000 171.3871 42 E 4.5662 7.8020 119.9221 55.2668 31.1152 175.6663 43 W 5.0185 9.0207 124.7001 55.6290 30.8016 175.8059 44 T 4.9565 9.0893 113.8043 60.1472 71.9127 172.1433 45 Y 4.8273 8.4939 123.2075 55.8714 42.7610 173.1456 46 D 4.4720 7.3642 126.0086 52.2313 42.4143 176.2592 47 D 4.1196 8.6039 125.9161 56.4689 41.7789 177.2939 48 A 4.0607 8.2150 121.9548 54.8745 18.3119 178.1927 49 T 4.2771 7.8131 101.9455 60.5288 69.9194 174.2528 50 K 3.9319 7.7244 121.4690 58.2851 30.6091 174.2469 51 T 5.1740 7.3220 113.2438 61.8625 71.8883 173.6839 52 F 5.2326 9.6651 125.3830 56.5381 41.4094 175.0506 53 T 5.0380 9.1375 119.4174 61.5923 72.0489 173.2106 54 V 4.7058 7.9460 124.4574 58.8998 34.5509 174.5068 55 T 4.6755 8.1017 120.4220 61.5334 72.0444 173.8430 56 E 4.1972 8.2835 124.2513 56.5476 29.7645 176.5273 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 8.16 4.46 0.00 1.71 1.99 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 2 T 8.23 4.68 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 1.26 0.00 0.00 3 Y 9.22 5.07 0.00 3.38 3.55 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 4 K 8.97 4.99 0.00 1.91 1.67 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 5 L 8.72 4.97 0.00 0.27 1.06 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.37 4.64 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.87 0.00 0.00 7 L 9.13 4.59 0.00 1.78 1.59 1.09 0.44 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 8 N 7.88 5.07 0.00 2.70 2.69 0.00 0.00 6.43 7.80 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 9 G 8.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 4.12 0.00 1.75 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 11 T 7.78 4.40 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 12 L 7.76 4.49 0.00 1.74 1.58 0.94 0.64 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 13 K 8.31 5.03 0.00 1.62 1.65 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.40 7.81 14 G 8.35 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 0.00 0.00 0.00 0.00 15 E 8.69 5.27 0.00 1.93 1.87 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 2.18 2.32 0.00 16 T 8.52 4.77 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 1.13 0.00 0.00 17 T 8.26 5.44 4.34 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 1.27 0.00 0.00 18 T 8.75 4.63 4.06 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 0.00 0.00 0.77 0.00 0.00 19 E 8.65 5.33 0.00 1.90 1.87 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 2.27 2.32 0.00 20 A 8.76 4.70 1.20 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 21 V 8.68 3.73 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 0.77 0.00 0.00 0.93 0.00 0.00 22 D 7.99 4.99 0.00 2.82 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 23 A 8.56 3.28 1.06 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 0.00 0.00 0.00 0.00 0.00 24 A 7.89 3.85 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 3.79 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 26 A 7.16 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.69 3.36 0.00 1.99 1.75 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 2.25 2.40 0.00 28 K 7.26 3.78 0.00 1.86 1.72 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 29 V 7.50 3.38 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.80 0.00 0.00 30 F 7.82 4.44 0.00 3.02 3.22 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 31 K 7.93 3.56 0.00 1.27 1.54 0.00 1.22 0.00 0.00 1.35 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 0.95 7.81 32 Q 8.03 3.93 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 33 Y 8.50 3.98 0.00 3.17 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.16 4.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.44 4.29 0.00 3.03 2.89 0.00 0.00 7.25 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 36 D 8.27 4.38 0.00 2.59 2.58 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 37 N 7.48 4.70 0.00 2.68 2.77 0.00 0.00 6.30 7.30 0.00 0.00 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 G 8.22 3.81 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 0.00 0.00 0.00 39 V 8.13 4.33 2.24 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 0.76 0.00 0.00 0.95 0.00 0.00 40 D 8.28 5.05 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 42 E 7.80 4.57 0.00 1.95 1.92 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 2.32 2.29 0.00 43 W 9.02 5.02 0.00 3.24 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.09 4.96 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 1.26 0.00 0.00 45 Y 8.49 4.83 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.36 4.47 0.00 2.51 2.16 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 0.00 47 D 8.60 4.12 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.06 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 49 T 7.81 4.28 4.17 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 1.20 0.00 0.00 50 K 7.72 3.93 0.00 1.88 1.79 0.00 1.44 0.00 0.00 1.28 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.34 7.81 51 T 7.32 5.17 4.13 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 1.25 0.00 0.00 52 F 9.67 5.23 0.00 2.72 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 53 T 9.14 5.04 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 1.15 0.00 0.00 54 V 7.95 4.71 0.78 0.00 0.00 0.00 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 -0.39 0.00 0.00 55 T 8.10 4.68 4.17 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 1.16 0.00 0.00 56 E 8.28 4.20 0.00 2.01 1.81 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 2.40 2.21 0.00