NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8421 8.3544 109.7353 45.3274 0.0000 174.1798 2 T 3.8674 8.1844 118.4210 60.3277 69.4471 173.2949 3 K 3.8246 9.2572 125.2424 59.8014 32.5239 178.1483 4 Q 3.9538 7.5482 117.3519 59.0191 28.5285 178.7194 5 E 3.3575 7.8618 118.9777 59.1400 29.3821 179.4846 6 K 4.0007 8.1760 118.6314 59.6926 32.1405 179.4960 7 T 3.8352 8.3210 116.2503 66.5923 68.2911 176.5497 8 A 4.0412 8.1507 122.6297 55.1214 18.3929 179.4014 9 L 4.1530 8.3994 119.3083 58.6046 42.1105 179.0207 10 N 4.4713 8.6068 116.6552 56.3059 38.4489 177.2041 11 M 4.1180 8.3619 119.6440 58.5494 32.3914 178.0325 12 A 4.1291 8.5651 121.4226 55.2371 18.4794 179.5219 13 R 3.2768 8.4391 117.3586 59.1468 30.1434 178.5169 14 W 4.0802 8.4982 129.8002 60.0022 30.6525 178.0248 15 I 3.7428 8.2518 119.8163 64.2627 36.6245 178.2863 16 R 3.8270 8.0415 119.8133 59.4108 29.3723 178.6952 17 S 3.9326 8.0259 114.1940 61.5336 62.9204 176.2609 18 Q 3.5153 7.8230 123.9312 58.6388 28.6511 178.2860 19 T 3.8942 7.8840 111.0346 64.4416 68.7599 176.4297 20 L 3.7763 7.7655 123.1254 58.1835 42.0702 179.0923 21 T 3.7688 7.8754 115.7656 66.4870 68.2922 176.4213 22 L 3.8831 8.1897 122.6780 57.9164 42.0473 178.6153 23 L 3.8984 8.1431 120.6295 58.3256 41.9241 178.8139 24 E 3.9457 8.1138 118.3529 59.3630 29.4084 179.5030 25 K 4.0999 8.1752 118.4905 59.5783 32.1279 179.4430 26 L 4.0222 8.2671 119.5553 57.7460 41.5226 179.2600 27 N 4.3419 8.5725 116.9688 56.4370 38.2584 177.3012 28 E 4.0195 8.2621 119.1055 59.0316 29.6133 178.6512 29 L 4.2305 7.6968 116.7491 54.3783 42.0825 176.3966 30 D 4.3533 7.7899 117.3626 55.2868 39.1208 175.3051 31 A 4.4141 7.6539 122.2679 50.4034 16.9582 177.4410 32 D 4.3002 8.1819 123.4154 57.3214 41.5021 177.8749 33 E 3.9139 8.0878 118.9821 59.4569 29.6462 178.7286 34 Q 3.9981 8.0262 117.4065 58.8065 28.8334 178.2627 35 A 3.9747 8.3688 122.2496 55.2107 18.3844 179.3973 36 D 4.3078 8.3886 117.6474 57.6176 40.9240 179.1457 37 I 3.7212 7.6404 119.8287 64.5498 37.1311 178.0785 38 C 4.2443 8.4272 119.8318 62.3359 31.3187 175.4945 39 E 3.9494 8.5937 120.7552 59.4665 29.1085 179.2562 40 S 4.0968 7.9000 112.7288 61.1730 62.3948 175.8697 41 L 3.9727 8.4354 123.4577 58.4526 41.8370 178.2991 42 H 4.4173 8.6068 119.8145 58.9684 29.7298 176.9260 43 D 4.2991 8.2066 120.5678 57.5318 40.5371 178.2762 44 H 4.2142 8.4605 118.6803 59.2094 29.7847 177.2679 45 A 3.9922 8.4759 123.1490 54.9423 18.0988 179.0740 46 D 4.3023 8.2187 116.8160 57.3983 41.2732 178.0273 47 E 3.8938 8.3425 119.8457 59.2367 29.6136 178.4476 48 L 3.9183 8.1067 120.3584 58.3928 42.1434 178.1667 49 Y 4.2126 8.3158 119.6012 61.0458 38.7371 178.5160 50 R 3.6457 8.2219 118.9858 58.9426 30.1569 178.9482 51 S 3.9514 8.3927 113.4592 61.5207 62.3810 176.0637 52 C 3.4551 8.0052 119.4507 62.4441 27.8125 175.8151 53 L 3.7580 7.9978 121.9591 58.1199 41.3868 178.9694 54 A 3.9093 8.0975 119.8831 54.7497 18.3015 179.4972 55 R 3.8586 7.4055 116.5202 59.6893 30.3386 178.3108 56 F 4.7860 8.2252 116.2429 58.0704 39.2519 176.0819 57 G 4.0417 8.2479 111.5189 45.6172 0.0000 172.9180 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 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.18 3.87 4.18 0.00 0.00 0.00 0.00 0.00 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 3 K 9.26 3.82 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.52 7.81 4 Q 7.55 3.95 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 5 E 7.86 3.36 0.00 1.88 1.34 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 1.47 2.03 0.00 6 K 8.18 4.00 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.61 7.81 7 T 8.32 3.84 4.36 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 1.19 0.00 0.00 8 A 8.15 4.04 1.46 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 0.00 0.00 9 L 8.40 4.15 0.00 2.10 1.98 0.96 0.76 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 10 N 8.61 4.47 0.00 3.00 2.91 0.00 0.00 6.66 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 11 M 8.36 4.12 0.00 2.28 2.17 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 2.64 0.00 12 A 8.57 4.13 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 0.00 0.00 0.00 0.00 0.00 13 R 8.44 3.28 0.00 1.77 2.14 0.00 3.04 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.00 14 W 8.50 4.08 0.00 3.49 3.34 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 0.00 15 I 8.25 3.74 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.98 0.97 0.00 0.00 16 R 8.04 3.83 0.00 1.81 1.92 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 17 S 8.03 3.93 0.00 3.88 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 18 Q 7.82 3.52 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 19 T 7.88 3.89 4.23 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 1.22 0.00 0.00 20 L 7.77 3.78 0.00 1.78 1.72 0.67 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.88 3.77 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 1.14 0.00 0.00 22 L 8.19 3.88 0.00 1.71 1.74 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.14 3.90 0.00 1.79 1.79 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.11 3.95 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 25 K 8.18 4.10 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 26 L 8.27 4.02 0.00 1.78 1.70 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.57 4.34 0.00 2.82 2.85 0.00 0.00 7.00 7.22 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 28 E 8.26 4.02 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 2.33 2.46 0.00 29 L 7.70 4.23 0.00 1.81 1.71 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.79 4.35 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.41 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.18 4.30 0.00 2.77 2.74 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 0.00 0.00 0.00 33 E 8.09 3.91 0.00 2.03 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 2.38 2.40 0.00 34 Q 8.03 4.00 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 35 A 8.37 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.31 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 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 1.41 0.67 0.92 0.00 0.00 38 C 8.43 4.24 0.00 3.09 3.03 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 39 E 8.59 3.95 0.00 2.20 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 2.32 2.39 0.00 40 S 7.90 4.10 0.00 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 3.97 0.00 1.86 1.82 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.61 4.42 0.00 3.15 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.21 4.30 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.46 4.21 0.00 3.37 3.40 0.00 5.60 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 45 A 8.48 3.99 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 46 D 8.22 4.30 0.00 2.75 2.85 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 47 E 8.34 3.89 0.00 2.09 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 2.32 0.00 48 L 8.11 3.92 0.00 1.81 1.84 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.32 4.21 0.00 3.09 3.15 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 0.00 50 R 8.22 3.65 0.00 2.03 1.88 0.00 3.27 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 51 S 8.39 3.95 0.00 3.85 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 52 C 8.01 3.46 0.00 3.09 2.92 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 53 L 8.00 3.76 0.00 1.18 1.47 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.10 3.91 1.22 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 0.00 0.00 55 R 7.41 3.86 0.00 1.58 1.35 0.00 3.09 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 56 F 8.23 4.79 0.00 3.05 2.92 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 57 G 8.25 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00