NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7154 8.4449 117.8525 55.4711 29.9458 173.0791 0 M 4.2650 8.5898 124.6507 53.6956 32.6381 175.4293 1 T 4.2731 8.5186 113.2110 61.0542 72.1164 175.4516 2 I 3.6616 8.2575 121.2415 64.4929 37.9840 177.3828 3 D 4.4597 8.2382 119.0766 57.8911 40.7058 178.9828 4 Q 4.0665 8.3971 118.3251 58.4791 28.6387 178.6730 5 W 4.0250 8.5830 129.6588 60.4222 30.7208 177.8929 6 L 4.1163 8.5771 119.2957 57.9018 41.2667 179.1651 7 L 3.8975 7.9681 120.0545 58.0823 42.0032 178.9837 8 K 3.8087 7.9534 119.2615 59.4868 32.1837 178.1931 9 N 3.8864 7.6918 116.5053 56.4577 38.4224 177.0456 10 A 4.0233 8.0883 121.9839 55.1037 18.3840 179.9008 11 K 3.8561 7.8209 116.3071 59.6119 32.1522 179.3828 12 E 3.8353 7.8871 118.5806 59.4556 29.3220 178.8735 13 D 4.3078 8.4270 118.9445 57.7236 40.8929 179.2213 14 A 3.9753 8.3607 121.1435 54.9591 18.2133 179.8388 15 I 3.5203 7.8166 118.3998 64.1642 37.1286 178.2236 16 A 3.8470 7.9007 121.7067 55.3019 17.9948 179.3418 17 E 3.9041 8.0993 116.4543 59.3899 29.9637 178.7047 18 L 4.1902 8.2807 119.4118 57.6798 41.6149 179.6044 19 K 4.4659 8.2168 120.2173 58.8739 31.8151 179.1622 20 K 4.2052 8.4315 116.8946 57.9271 32.0769 178.0070 21 A 4.5957 7.6523 120.0378 51.1261 19.8614 177.1649 22 G 4.0297 7.4640 103.5884 45.2527 0.0000 174.3927 23 I 3.8423 7.8982 122.5235 61.3213 37.6034 176.4597 24 T 4.5344 8.3716 113.6020 61.4695 70.8140 174.0402 25 S 4.2991 7.6494 118.1220 57.2462 62.7925 173.8245 26 D 4.4325 8.8607 127.9966 57.7993 40.2161 178.6618 27 F 3.9563 7.7903 120.7490 61.7407 39.0911 176.9870 28 Y 4.0308 7.5850 115.7205 60.8654 37.8370 177.9423 29 F 4.5408 7.6177 118.2449 60.7330 38.8473 176.9856 30 N 4.2955 9.2641 115.4909 56.4827 38.7181 176.9899 31 A 4.0320 7.3878 121.4144 55.0951 18.6236 179.4172 32 I 3.6711 8.0295 118.6872 65.0380 37.0494 178.4056 33 N 4.4255 8.3966 115.7455 55.7771 38.4070 176.8605 34 K 4.1636 7.6804 117.5215 56.2598 32.7646 177.2019 35 A 4.1314 7.1587 122.4422 52.6188 18.7180 177.5049 36 K 4.5608 9.2537 118.5887 56.4738 34.0207 177.3081 37 T 4.7455 7.4324 114.8712 60.5294 73.7500 174.6610 38 V 3.5625 8.3003 123.0860 66.3242 31.6930 178.1271 39 E 3.9506 8.2748 117.7949 59.6848 29.2931 179.2106 40 E 3.9523 8.0216 117.8442 59.2634 29.6427 179.0621 41 V 3.5921 7.8247 118.3958 66.4528 31.5245 177.8836 42 N 4.3903 8.4987 115.8233 55.8816 38.4137 177.1588 43 A 3.9917 8.3735 122.7559 55.3962 18.4565 179.4885 44 L 3.9820 8.0527 118.5143 57.6517 42.0711 178.8120 45 K 3.8560 8.1341 119.7619 59.6558 32.1611 178.1441 46 N 4.2729 8.5281 116.9713 56.6849 38.6619 177.1730 47 E 3.9789 8.5265 119.9263 59.5473 29.6052 179.5655 48 I 3.6340 8.2653 120.2000 64.1615 36.8758 178.4916 49 L 3.9752 7.9387 119.1916 57.8283 41.7999 179.3774 50 K 4.0807 8.2021 118.1636 59.4664 31.7603 179.2608 51 A 4.1469 7.7371 119.5462 54.9353 18.3585 178.8227 52 H 4.2344 7.9203 115.9807 58.7426 29.9042 174.9671 53 A 4.1799 7.4715 126.2238 52.1768 18.6732 176.6867 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 H 8.44 4.72 0.00 3.14 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 8.59 4.26 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 1 T 8.52 4.27 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 1.24 0.00 0.00 2 I 8.26 3.66 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.93 0.00 0.00 3 D 8.24 4.46 0.00 2.76 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 4 Q 8.40 4.07 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 W 8.58 4.03 0.00 3.48 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 6 L 8.58 4.12 0.00 1.96 1.80 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.97 3.90 0.00 1.78 1.82 0.95 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.95 3.81 0.00 1.93 1.51 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 N 7.69 3.89 0.00 2.53 2.55 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.09 4.02 1.35 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 0.00 0.00 11 K 7.82 3.86 0.00 1.98 1.95 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.56 7.81 12 E 7.89 3.84 0.00 1.91 1.88 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 2.23 2.32 0.00 13 D 8.43 4.31 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.98 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 15 I 7.82 3.52 1.82 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 1.37 0.71 0.04 0.00 0.00 16 A 7.90 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 17 E 8.10 3.90 0.00 1.95 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 2.32 2.35 0.00 18 L 8.28 4.19 0.00 2.07 1.90 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.22 4.47 0.00 1.89 1.86 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.56 1.15 7.81 20 K 8.43 4.21 0.00 1.79 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 21 A 7.65 4.60 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.90 3.84 2.05 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 0.75 0.00 0.00 24 T 8.37 4.53 4.29 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 1.32 0.00 0.00 25 S 7.65 4.30 0.00 3.85 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 26 D 8.86 4.43 0.00 2.73 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 27 F 7.79 3.96 0.00 2.79 2.46 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 28 Y 7.58 4.03 0.00 2.88 2.97 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 29 F 7.62 4.54 0.00 3.06 2.97 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 30 N 9.26 4.30 0.00 2.73 2.78 0.00 0.00 7.04 7.23 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 31 A 7.39 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.67 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.35 0.93 0.00 0.00 33 N 8.40 4.43 0.00 2.87 2.88 0.00 0.00 7.13 7.52 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 34 K 7.68 4.16 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.41 7.81 35 A 7.16 4.13 1.28 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 0.00 0.00 0.00 36 K 9.25 4.56 0.00 1.82 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 37 T 7.43 4.75 4.59 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 0.00 0.00 1.31 0.00 0.00 38 V 8.30 3.56 2.10 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 1.17 0.00 0.00 0.95 0.00 0.00 39 E 8.27 3.95 0.00 2.10 2.01 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 2.41 2.49 0.00 40 E 8.02 3.95 0.00 2.19 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 2.40 2.37 0.00 41 V 7.82 3.59 2.19 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 1.04 0.00 0.00 0.99 0.00 0.00 42 N 8.50 4.39 0.00 2.80 2.84 0.00 0.00 6.96 8.45 0.00 0.00 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 A 8.37 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 44 L 8.05 3.98 0.00 1.81 1.80 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.13 3.86 0.00 1.96 1.95 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 46 N 8.53 4.27 0.00 2.97 2.87 0.00 0.00 7.12 7.60 0.00 0.00 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 E 8.53 3.98 0.00 2.10 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 2.51 2.51 0.00 48 I 8.27 3.63 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.63 0.00 0.00 49 L 7.94 3.98 0.00 1.73 1.73 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.20 4.08 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 51 A 7.74 4.15 1.30 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 0.00 0.00 52 H 7.92 4.23 0.00 3.20 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.47 4.18 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