NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4718 8.3049 120.3508 55.3368 33.4334 174.5207 1 R 4.5407 8.2362 122.4219 53.7487 33.6602 173.5818 2 K 4.3087 8.3560 121.4921 55.3242 33.9771 177.1860 3 R 4.2074 8.3673 120.6391 56.1810 30.8213 175.3268 4 G 4.0233 8.6307 109.9373 46.3073 0.0000 174.5369 5 R 3.8968 7.6106 126.4658 55.0868 28.9614 176.5717 6 Q 2.6760 8.2290 120.3511 57.6268 28.8516 178.0202 7 T 3.3558 7.1430 113.0771 62.1050 66.0371 171.5609 8 Y 5.2323 7.6010 116.1795 55.9551 40.3819 177.0080 9 T 4.2502 8.2801 113.1941 61.3932 71.2135 175.4797 10 R 3.9093 8.7112 122.6702 59.9793 29.9924 178.0834 11 Y 3.7797 8.0454 118.4970 60.6703 38.4075 177.4656 12 Q 3.7998 8.4039 120.5958 59.8098 29.1037 178.8401 13 T 3.5233 8.0702 116.6235 66.1709 68.4390 176.3382 14 L 3.8736 8.0795 122.7692 58.2743 42.0540 178.8232 15 E 3.8232 7.9829 119.4533 59.0214 29.4793 178.5245 16 L 3.8172 7.5395 119.0947 57.8120 41.3082 179.4880 17 E 4.2652 8.4484 118.7969 59.4255 29.4471 179.5318 18 K 3.9894 8.5603 119.0289 59.2628 32.0334 179.0570 19 E 4.1119 8.7958 120.0234 59.3802 29.4648 178.4887 20 F 4.3383 8.6950 120.8967 61.0305 39.4780 176.0633 21 H 4.1804 8.5571 116.7921 59.4081 29.6903 176.9297 22 F 4.8471 8.1636 118.5553 59.1726 39.2535 175.4128 23 N 4.7284 8.6855 118.6861 51.3598 38.0379 174.4032 24 R 3.2210 8.2033 122.7856 56.5835 30.3610 175.5850 25 Y 4.9025 7.6629 113.3156 56.8160 41.4997 174.4192 26 L 4.6524 8.5056 123.1803 53.2756 44.0385 177.0366 27 T 4.4031 7.9357 112.8838 60.2374 71.9011 175.7694 28 R 3.8078 8.3699 120.3767 59.7600 29.9125 178.0052 29 R 3.8083 7.8907 117.4722 59.6457 30.0566 178.2587 30 R 3.8219 7.9551 118.2262 59.4210 30.0589 178.5196 31 R 3.7785 8.2214 118.2110 59.2444 30.0532 178.9868 32 I 3.6126 7.6569 119.3577 64.5259 37.1316 178.1735 33 E 3.8998 8.1489 119.2568 59.5406 29.1886 179.7387 34 I 3.6459 7.9402 119.7246 64.1271 37.2338 178.0319 35 A 4.0903 8.2691 123.2936 54.8891 18.1085 179.3223 36 H 4.0034 8.3439 114.0445 59.0207 28.6176 177.4299 37 A 4.0270 8.0697 121.4791 55.4496 18.2766 178.8732 38 L 4.3717 7.9593 113.9673 53.4711 42.2652 176.4977 39 C 4.1775 7.8867 113.0658 59.1260 28.7157 172.8843 40 L 4.5524 7.6420 119.0791 54.8454 43.6942 175.6785 41 T 4.6533 7.8233 109.3858 59.7118 72.5058 174.7570 42 E 3.8853 8.6687 121.1060 59.6633 29.4340 179.3744 43 R 3.8657 7.9558 119.2084 59.4292 30.2427 178.4360 44 Q 4.1832 8.0727 116.7789 59.0506 28.8112 178.1694 45 I 3.7465 8.1370 122.3891 64.0341 37.1432 177.8906 46 K 3.9200 8.5434 120.8695 59.7867 31.9615 178.5567 47 I 3.7510 7.9397 119.6692 64.3102 37.0481 178.2331 48 W 4.1767 8.7901 129.3822 60.5951 30.5515 178.0093 49 F 4.0156 9.4567 118.1742 60.4957 38.3076 177.2617 50 Q 4.0177 8.8917 119.5181 59.4054 28.6229 178.2151 51 N 4.1887 8.2650 116.2399 56.5755 38.6787 177.4263 52 R 3.3143 7.5489 118.4242 58.2533 30.0205 178.5399 53 R 4.4237 8.0244 115.1867 56.7315 30.2496 176.4251 54 M 4.1535 7.4696 119.3942 56.8546 32.5590 176.3179 55 K 3.9432 8.7919 124.1588 56.3938 31.0282 175.4456 56 W 4.4316 7.0697 125.4422 59.7802 32.5583 176.4063 57 K 4.7517 9.1365 117.1127 57.0532 31.3662 177.9089 58 K 4.7438 7.9304 114.7702 56.0330 34.0589 176.4567 59 E 4.6427 8.0567 116.0527 56.6262 34.3569 175.7666 60 N 3.9322 8.1211 117.9404 55.5806 38.4500 174.1759 61 K 4.1074 7.1461 112.2488 53.5920 35.3341 176.3234 62 T 3.2391 8.1279 108.4410 60.8126 67.4078 170.5528 63 K 3.6260 8.3679 128.1365 57.3815 31.9700 176.0053 64 G 3.6106 8.2684 116.5089 48.1554 0.0000 172.3187 65 E 4.2600 7.7282 119.9874 53.5124 30.7014 174.7982 66 P 4.3153 0.0000 0.0000 62.9303 31.6824 176.5600 67 G 3.7518 8.5013 111.5989 46.3669 0.0000 172.0379 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 0 M 8.30 4.47 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 1 R 8.24 4.54 0.00 1.90 1.81 0.00 3.45 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 2 K 8.36 4.31 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.36 7.81 3 R 8.37 4.21 0.00 1.97 2.02 0.00 3.28 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 4 G 8.63 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.61 3.90 0.00 1.75 1.87 0.00 3.22 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 6 Q 8.23 2.68 0.00 1.41 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 7 T 7.14 3.36 4.15 0.00 0.00 0.00 0.00 0.00 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 8 Y 7.60 5.23 0.00 3.11 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 9 T 8.28 4.25 4.35 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 1.29 0.00 0.00 10 R 8.71 3.91 0.00 2.00 2.06 0.00 3.29 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 11 Y 8.05 3.78 0.00 3.20 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 12 Q 8.40 3.80 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.61 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 13 T 8.07 3.52 4.52 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 0.00 0.00 0.00 1.45 0.00 0.00 14 L 8.08 3.87 0.00 1.76 1.53 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.98 3.82 0.00 1.48 1.63 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 2.23 2.28 0.00 16 L 7.54 3.82 0.00 0.62 0.13 0.65 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.45 4.27 0.00 2.38 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 2.42 2.68 0.00 18 K 8.56 3.99 0.00 1.91 1.98 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.53 7.81 19 E 8.80 4.11 0.00 2.19 2.34 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 2.41 2.73 0.00 20 F 8.70 4.34 0.00 2.83 3.19 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 0.00 0.00 0.00 0.00 21 H 8.56 4.18 0.00 3.35 3.33 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.16 4.85 0.00 3.39 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 23 N 8.69 4.73 0.00 3.05 2.96 0.00 0.00 6.81 7.78 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 24 R 8.20 3.22 0.00 0.89 1.50 0.00 2.21 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 25 Y 7.66 4.90 0.00 2.76 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 26 L 8.51 4.65 0.00 1.37 1.36 -0.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.94 4.40 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 1.18 0.00 0.00 28 R 8.37 3.81 0.00 1.84 1.95 0.00 3.33 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 29 R 7.89 3.81 0.00 1.92 1.87 0.00 3.24 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 30 R 7.96 3.82 0.00 1.88 1.83 0.00 3.11 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 31 R 8.22 3.78 0.00 2.07 1.90 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 32 I 7.66 3.61 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.08 0.75 0.00 0.00 33 E 8.15 3.90 0.00 2.05 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 0.00 2.47 2.45 0.00 34 I 7.94 3.65 1.89 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 1.45 0.74 0.74 0.00 0.00 35 A 8.27 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.00 0.00 3.34 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.07 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.37 0.00 1.52 1.61 1.02 1.01 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 39 C 7.89 4.18 0.00 3.15 3.02 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 0.00 0.00 0.00 40 L 7.64 4.55 0.00 1.67 1.54 0.91 0.07 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 41 T 7.82 4.65 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 1.22 0.00 0.00 42 E 8.67 3.89 0.00 2.15 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 0.00 2.37 2.32 0.00 43 R 7.96 3.87 0.00 1.89 2.00 0.00 3.39 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 44 Q 8.07 4.18 0.00 2.50 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 45 I 8.14 3.75 1.92 0.00 0.00 0.68 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 0.69 0.62 0.00 0.00 46 K 8.54 3.92 0.00 1.88 2.08 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 47 I 7.94 3.75 2.11 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 0.34 1.06 0.00 0.00 48 W 8.79 4.18 0.00 3.41 3.17 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 49 F 9.46 4.02 0.00 3.46 3.29 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 50 Q 8.89 4.02 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 51 N 8.27 4.19 0.00 2.68 2.58 0.00 0.00 7.46 7.48 0.00 0.00 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 R 7.55 3.31 0.00 0.67 0.66 0.00 2.38 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 53 R 8.02 4.42 0.00 2.11 2.35 0.00 2.85 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.05 0.00 54 M 7.47 4.15 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 55 K 8.79 3.94 0.00 1.91 1.94 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.54 7.81 56 W 7.07 4.43 0.00 3.39 3.11 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 0.00 0.00 0.00 0.00 57 K 9.14 4.75 0.00 1.89 1.96 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.85 1.85 7.81 58 K 7.93 4.74 0.00 1.70 1.75 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.40 7.81 59 E 8.06 4.64 0.00 2.03 1.86 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 0.00 2.18 2.27 0.00 60 N 8.12 3.93 0.00 2.05 2.33 0.00 0.00 6.54 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.15 4.11 0.00 1.77 1.56 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.08 1.26 7.81 62 T 8.13 3.24 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 1.18 0.00 0.00 63 K 8.37 3.63 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.46 7.81 64 G 8.27 3.61 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 0.00 0.00 0.00 65 E 7.73 4.26 0.00 1.96 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 2.27 2.22 0.00 66 P 0.00 4.32 0.00 2.17 2.08 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 67 G 8.50 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