NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.6046 8.0327 117.3293 63.3602 70.6520 171.8990 2 K 4.7481 9.2291 127.9634 54.3221 34.8084 172.6768 3 C 5.3435 9.6405 125.6874 54.8502 42.6096 172.8563 4 Y 4.8364 8.7991 119.7921 58.4274 38.6137 176.3333 5 N 5.8484 9.4472 118.0619 51.5267 39.2204 174.2455 6 H 4.5063 8.5156 114.8722 55.6765 29.7717 174.8058 7 Q 4.4771 8.2331 120.9089 56.8507 30.7319 176.3930 8 S 3.3695 8.1342 119.0878 60.2686 63.0965 173.2370 9 T 4.4537 8.5823 117.3558 62.2806 68.4772 174.3884 10 T 4.1263 7.6975 112.3612 60.8518 69.4130 172.3292 11 P 4.2728 0.0000 0.0000 62.4134 31.8288 176.5246 12 E 3.4629 8.6312 121.6165 57.3504 30.0011 176.5203 13 T 4.9925 8.3446 111.8513 60.2739 72.7662 172.4616 14 T 5.3293 8.4882 111.7651 59.9794 72.3863 172.5421 15 E 4.7655 8.9958 119.1378 54.7566 33.5605 174.1933 16 I 4.6606 8.1589 122.0666 60.2602 38.2643 176.5446 17 C 4.2504 8.8603 125.4429 56.3851 40.3666 172.6011 18 P 4.0955 0.0000 0.0000 64.9935 31.1915 175.9248 19 D 5.0421 6.9244 115.3440 51.8129 44.5743 176.0911 20 S 4.2248 8.7808 115.9642 60.9209 63.3077 174.6621 21 G 4.0539 8.1540 109.9457 46.3636 0.0000 171.9662 22 Y 4.9147 7.5798 116.5860 55.8554 40.8771 175.3860 23 F 5.1477 8.5138 117.2306 56.0051 42.2069 172.4203 24 C 5.6398 9.5075 115.7989 55.9478 39.9597 172.9120 25 Y 5.6085 8.8773 118.6102 55.4132 41.9477 173.9220 26 K 5.0185 9.6472 121.3918 54.8900 35.9139 174.7119 27 S 5.2185 9.6743 122.2789 56.6060 65.5769 172.1901 28 S 5.1966 8.6395 122.5243 56.1870 64.5675 172.8126 29 W 5.6555 8.7719 123.2025 55.3544 32.4256 173.3166 30 I 4.6109 8.7049 120.8609 59.5718 38.8329 175.5745 31 D 4.7308 9.1623 128.0860 53.0649 42.0395 178.0072 32 G 3.9299 9.3045 120.3353 46.0486 0.0000 172.4553 33 R 4.4696 8.9736 119.6491 55.2752 33.0078 174.8969 34 E 4.3515 8.2029 120.9800 54.3434 30.4838 175.0926 35 G 3.9398 8.3694 114.0214 46.2506 0.0000 172.8528 36 R 4.4961 8.3078 122.0830 54.0226 35.0075 174.1791 37 I 4.8622 7.9937 121.5280 59.4726 41.0421 173.9989 38 E 5.1482 9.7647 127.7615 54.5874 32.5079 174.8150 39 R 4.5937 8.7565 123.4811 53.9826 35.0400 175.0572 40 G 4.0886 6.6902 106.5399 46.4495 0.0000 170.9848 41 C 5.2471 9.2807 117.9401 57.5552 39.3019 173.5581 42 T 4.5921 8.9833 115.7115 61.3424 70.6058 173.8420 43 F 4.3576 7.4475 118.4946 55.7739 38.8987 175.5531 44 T 4.7003 6.7102 115.4829 60.2152 70.1671 172.1681 45 C 4.6037 8.9930 128.4686 55.4281 44.2296 171.5032 46 P 4.2842 0.0000 0.0000 62.1633 31.5562 175.9204 47 E 3.8900 8.4081 122.2975 56.2165 30.1010 176.4058 48 L 4.3183 8.2390 126.9814 53.8865 41.8798 176.4650 49 T 4.3013 8.0513 116.7193 60.0362 70.0014 173.7783 50 P 4.2129 0.0000 0.0000 65.7702 31.4477 177.2607 51 N 4.7399 8.1435 113.0055 53.3224 39.0335 174.8649 52 G 4.0649 8.0879 107.0047 46.5255 0.0000 174.2705 53 K 4.6238 9.2222 123.3230 58.2802 32.9657 176.5689 54 Y 5.0132 7.2269 115.5367 56.0121 41.3210 173.1761 55 V 5.0944 8.6451 119.5576 61.4334 34.8006 173.9012 56 Y 5.1222 9.7120 128.3381 56.1417 41.9216 173.1496 57 C 5.6966 8.6126 123.4297 55.2883 41.2528 172.1770 58 C 4.7693 9.1665 116.9356 54.5465 44.5097 174.8779 59 R 4.2761 8.5094 118.1459 57.4482 31.4505 177.7241 60 R 4.1959 7.7054 116.4136 55.3958 30.8369 175.5809 61 D 4.7263 8.6088 120.6934 56.1660 41.1439 176.6746 62 K 3.6884 8.7850 122.4411 57.5126 30.0800 174.5309 63 C 4.6605 8.2553 114.8511 57.2107 42.0078 173.5866 64 N 5.1707 8.0499 117.7918 52.4247 37.7001 174.4901 65 Q 3.6488 8.4523 125.2206 57.4824 29.0532 175.4930 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 T 8.03 4.60 4.30 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 1.29 0.00 0.00 2 K 9.23 4.75 0.00 1.74 1.72 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.38 7.81 3 C 9.64 5.34 0.00 2.87 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 4 Y 8.80 4.84 0.00 3.10 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 5 N 9.45 5.85 0.00 2.66 2.83 0.00 0.00 6.96 8.63 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 6 H 8.52 4.51 0.00 3.32 3.47 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.23 4.48 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.74 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 8 S 8.13 3.37 0.00 3.85 2.77 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 9 T 8.58 4.45 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 1.17 0.00 0.00 10 T 7.70 4.13 4.26 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 1.23 0.00 0.00 11 P 0.00 4.27 0.00 2.05 2.02 0.00 3.70 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 2.03 2.11 0.00 12 E 8.63 3.46 0.00 1.94 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 1.95 2.17 0.00 13 T 8.34 4.99 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 1.29 0.00 0.00 14 T 8.49 5.33 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 0.90 0.00 0.00 15 E 9.00 4.77 0.00 1.96 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 2.16 2.24 0.00 16 I 8.16 4.66 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 1.30 0.55 0.87 0.00 0.00 17 C 8.86 4.25 0.00 2.77 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 18 P 0.00 4.10 0.00 1.67 1.94 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 19 D 6.92 5.04 0.00 2.92 2.87 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 20 S 8.78 4.22 0.00 4.08 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 21 G 8.15 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 0.00 0.00 0.00 22 Y 7.58 4.91 0.00 3.14 2.87 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 23 F 8.51 5.15 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.51 5.64 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 25 Y 8.88 5.61 0.00 3.20 3.06 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 26 K 9.65 5.02 0.00 1.96 2.02 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.46 7.81 27 S 9.67 5.22 0.00 4.14 3.99 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 28 S 8.64 5.20 0.00 3.19 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 29 W 8.77 5.66 0.00 3.52 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 30 I 8.70 4.61 1.91 0.00 0.00 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 1.07 0.63 0.94 0.00 0.00 31 D 9.16 4.73 0.00 2.89 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.30 3.93 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 0.00 0.00 0.00 33 R 8.97 4.47 0.00 1.75 1.91 0.00 3.20 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 34 E 8.20 4.35 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 35 G 8.37 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.31 4.50 0.00 0.67 0.84 0.00 2.95 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 37 I 7.99 4.86 1.84 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 0.96 0.56 0.96 0.00 0.00 38 E 9.76 5.15 0.00 2.56 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 2.42 2.43 0.00 39 R 8.76 4.59 0.00 1.73 1.78 0.00 3.11 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 40 G 6.69 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.28 5.25 0.00 2.90 3.18 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 0.00 42 T 8.98 4.59 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 0.90 0.00 0.00 43 F 7.45 4.36 0.00 2.73 2.06 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 44 T 6.71 4.70 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 0.74 0.00 0.00 45 C 8.99 4.60 0.00 3.10 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 46 P 0.00 4.28 0.00 1.96 1.70 0.00 3.71 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.34 0.00 47 E 8.41 3.89 0.00 1.85 1.78 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 2.26 2.33 0.00 48 L 8.24 4.32 0.00 1.67 1.62 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.05 4.30 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 1.10 0.00 0.00 50 P 0.00 4.21 0.00 2.07 2.19 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 51 N 8.14 4.74 0.00 2.84 3.13 0.00 0.00 7.06 7.58 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 52 G 8.09 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 0.00 0.00 0.00 0.00 53 K 9.22 4.62 0.00 1.64 1.97 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.37 7.81 54 Y 7.23 5.01 0.00 3.08 3.07 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 55 V 8.65 5.09 2.21 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 0.99 0.00 0.00 1.09 0.00 0.00 56 Y 9.71 5.12 0.00 3.08 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 57 C 8.61 5.70 0.00 2.77 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 58 C 9.17 4.77 0.00 2.82 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.51 4.28 0.00 1.81 2.05 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 60 R 7.71 4.20 0.00 1.89 1.88 0.00 3.33 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 61 D 8.61 4.73 0.00 2.64 2.59 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 62 K 8.78 3.69 0.00 1.86 1.94 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.56 1.10 7.81 63 C 8.26 4.66 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.05 5.17 0.00 2.98 3.06 0.00 0.00 6.00 7.39 0.00 0.00 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 Q 8.45 3.65 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.09 1.64 0.00