NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3233 8.2649 123.5820 51.8134 19.5076 176.3599 2 K 4.0803 8.5598 114.9036 56.0125 33.6233 175.9743 3 G 4.0711 7.7550 109.7638 46.2126 0.0000 175.6230 4 I 4.2437 7.7939 119.0902 59.0980 36.5173 174.4290 5 R 4.7257 7.5433 121.2752 53.4324 33.9917 174.5132 6 E 3.9306 8.2636 118.2658 59.3749 30.0254 177.0053 7 K 4.2508 7.6761 119.9008 57.8750 33.5175 175.5641 8 I 4.6986 8.0908 121.8845 59.4471 41.6788 173.3193 9 K 4.7552 8.6644 128.9957 56.1133 34.4378 176.1795 10 L 4.4354 8.0460 122.3115 54.8462 43.4347 174.9370 11 V 4.7194 8.2278 116.5519 60.6269 32.7922 177.2637 12 S 4.6705 8.1274 118.3215 58.8831 64.7217 174.1837 13 S 5.3338 7.9316 106.6779 58.4195 63.4203 176.6900 14 A 4.8157 7.8317 125.2230 52.7560 18.2518 177.8589 15 G 4.1398 6.7705 107.2921 44.4997 0.0000 174.1730 16 T 4.0494 7.5581 117.9612 61.5366 68.6837 175.3871 17 G 3.7343 7.4927 109.3007 46.0832 0.0000 172.3671 18 H 4.7478 8.3915 113.9474 55.8062 29.9219 177.8432 19 F 3.3684 8.3818 118.9468 59.8049 37.3186 173.6002 20 Y 3.6315 9.7539 135.0000 59.0332 36.5779 168.2670 21 T 3.8233 7.3989 118.1087 62.8477 73.1547 172.2195 22 T 4.6232 8.4404 123.4930 62.1948 70.4950 174.4986 23 T 4.5136 7.8256 123.5843 62.4069 72.1205 174.1893 24 K 5.1247 8.5699 126.1830 56.3500 34.4695 176.5128 25 N 4.8880 8.3787 118.0134 52.0040 41.9767 175.6485 26 K 4.8593 8.4880 124.1515 56.6117 33.3318 176.1485 27 R 4.2838 8.3617 116.0867 57.4673 30.7489 177.0659 28 T 3.8989 7.7892 113.1999 61.4808 67.7399 173.7957 29 K 3.9478 8.6519 128.0952 56.0639 32.6861 174.5692 30 P 4.4575 0.0000 0.0000 62.7315 31.4405 174.2813 31 E 4.3253 7.7694 118.0056 57.5610 31.8471 176.9457 32 K 4.2332 7.7905 123.1644 54.7718 30.4052 175.6030 33 L 4.3925 7.3315 116.8705 53.8185 44.5253 175.3527 34 E 4.5432 8.7242 128.4170 56.7576 29.9691 179.3688 35 L 5.0320 8.8421 126.5718 55.0332 42.0378 179.2381 36 K 2.8202 8.8011 128.4894 56.2208 34.1274 174.2754 37 K 3.8543 8.0316 116.7489 57.8312 32.6068 175.6942 38 F 4.7887 8.5826 118.9988 56.0153 43.0271 173.6702 39 D 5.0093 8.1745 119.5210 51.5749 40.6449 172.5717 40 P 4.5116 0.0000 0.0000 61.7911 32.5046 178.2961 41 V 4.0464 8.1976 119.8710 61.6801 29.2991 176.1758 42 V 4.2049 7.2971 122.5738 61.2008 34.8540 173.0226 43 R 4.0533 8.8277 118.7213 56.9302 30.5721 176.1779 44 Q 4.2454 8.3836 118.2346 56.5862 29.3215 175.2234 45 H 3.9057 8.9169 119.7450 56.6704 26.1356 173.5460 46 V 4.4608 7.7184 122.0828 59.9183 34.7506 175.1662 47 I 4.2510 8.1517 124.4752 62.0952 38.5272 178.2114 48 Y 4.7310 7.7151 118.5056 55.7690 37.8204 175.4264 49 K 4.1341 8.2052 125.6192 57.0899 28.6820 175.9683 50 E 4.0543 8.4077 122.0914 57.5019 30.1254 177.6645 51 A 4.1749 7.6416 121.1547 52.3365 19.1689 177.1629 52 K 4.0007 8.1781 119.6901 57.0704 32.0551 175.3531 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 A 8.26 4.32 1.25 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 2 K 8.56 4.08 0.00 1.83 1.75 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 3 G 7.75 4.07 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 0.00 0.00 0.00 4 I 7.79 4.24 1.87 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 0.81 0.91 0.00 0.00 5 R 7.54 4.73 0.00 1.77 1.75 0.00 3.44 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 6 E 8.26 3.93 0.00 1.99 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 2.40 2.25 0.00 7 K 7.68 4.25 0.00 1.75 1.83 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 8 I 8.09 4.70 1.86 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 1.39 1.42 0.97 0.00 0.00 9 K 8.66 4.76 0.00 1.78 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 L 8.05 4.44 0.00 1.70 1.73 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.23 4.72 2.03 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 0.89 0.00 0.00 0.74 0.00 0.00 12 S 8.13 4.67 0.00 3.71 3.78 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 13 S 7.93 5.33 0.00 3.93 3.74 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 14 A 7.83 4.82 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 15 G 6.77 4.14 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 0.00 0.00 0.00 16 T 7.56 4.05 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 1.14 0.00 0.00 17 G 7.49 3.73 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 0.00 0.00 0.00 18 H 8.39 4.75 0.00 3.18 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.38 3.37 0.00 3.28 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.75 3.63 0.00 3.13 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 T 7.40 3.82 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 0.91 0.00 0.00 22 T 8.44 4.62 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 1.19 0.00 0.00 23 T 7.83 4.51 4.19 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 1.23 0.00 0.00 24 K 8.57 5.12 0.00 1.79 1.87 0.00 1.07 0.00 0.00 2.37 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.37 7.81 25 N 8.38 4.89 0.00 2.57 2.74 0.00 0.00 6.94 7.61 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 26 K 8.49 4.86 0.00 2.10 1.87 0.00 1.19 0.00 0.00 2.37 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.37 7.81 27 R 8.36 4.28 0.00 1.95 2.01 0.00 3.33 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 28 T 7.79 3.90 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 29 K 8.65 3.95 0.00 1.76 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.56 7.81 30 P 0.00 4.46 0.00 2.05 2.01 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 31 E 7.77 4.33 0.00 1.90 1.76 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 2.19 2.20 0.00 32 K 7.79 4.23 0.00 1.73 1.73 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 33 L 7.33 4.39 0.00 1.61 1.54 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.72 4.54 0.00 2.28 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 2.37 2.43 0.00 35 L 8.84 5.03 0.00 1.81 0.78 0.97 0.85 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 36 K 8.80 2.82 0.00 1.42 1.53 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 1.29 7.81 37 K 8.03 3.85 0.00 1.72 1.90 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.43 7.81 38 F 8.58 4.79 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 39 D 8.17 5.01 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.13 2.10 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 41 V 8.20 4.05 2.15 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 0.85 0.00 0.00 1.01 0.00 0.00 42 V 7.30 4.20 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 0.74 0.00 0.00 0.89 0.00 0.00 43 R 8.83 4.05 0.00 1.79 1.94 0.00 3.23 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 44 Q 8.38 4.25 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 45 H 8.92 3.91 0.00 3.19 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.72 4.46 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 0.96 0.00 0.00 0.97 0.00 0.00 47 I 8.15 4.25 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.73 0.00 0.00 48 Y 7.72 4.73 0.00 3.17 2.20 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 49 K 8.21 4.13 0.00 2.00 1.88 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 0.71 7.81 50 E 8.41 4.05 0.00 1.89 1.93 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 2.13 2.14 0.00 51 A 7.64 4.17 1.21 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 0.00 0.00 0.00 52 K 8.18 4.00 0.00 1.60 1.55 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.30 7.81