NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 G 3.9135 8.3549 109.7348 45.4724 0.0000 173.3606 40 R 3.9277 7.4274 118.3169 54.8855 32.3155 174.6376 41 G 3.8080 9.4959 106.4501 44.5240 0.0000 171.3244 42 P 4.2605 0.0000 0.0000 63.1733 32.3750 176.9736 43 T 3.9892 8.8270 120.2701 67.1967 68.4444 176.6139 44 R 3.9160 7.9514 117.0054 58.9068 29.5553 178.3496 45 F 3.9042 8.2823 121.0075 61.2540 39.4783 177.0797 46 V 3.7865 8.1591 117.8295 66.0430 31.3184 178.0067 47 L 4.1022 8.3039 118.5409 57.6580 41.4462 179.0631 48 A 3.2000 8.8198 121.2937 54.9623 18.1704 179.2259 49 L 3.9864 8.3958 118.9704 58.3815 42.0302 178.8747 50 L 3.7603 8.0234 119.8744 58.0283 41.9188 178.6000 51 A 3.4175 8.0999 120.9192 55.0851 18.1784 179.3237 52 F 3.6776 8.0610 119.2117 61.4061 39.3358 177.2301 53 F 3.9746 8.9374 117.1188 59.5806 38.4022 177.1122 54 R 4.2365 7.1406 116.3619 57.4347 30.8138 178.3934 55 F 4.5196 7.8638 117.4831 60.0810 39.4403 176.1742 56 T 3.8227 6.9378 114.1464 63.2640 69.2020 175.6947 57 A 4.3063 8.1748 129.7538 51.3077 17.0479 176.6432 58 I 4.3778 7.4849 120.9825 57.9580 40.8629 174.7966 59 A 4.2453 8.6542 131.1014 50.9605 18.6033 175.5087 60 P 4.1077 0.0000 0.0000 62.4025 32.2270 177.0888 61 T 4.0395 7.7784 110.5723 61.6035 70.7443 175.3245 62 R 3.8570 8.7365 122.4166 59.9487 29.7194 179.0998 63 A 4.1419 7.9407 119.5372 54.8546 18.3826 179.8193 64 V 3.3772 7.4416 116.4763 65.9814 31.9263 177.8226 65 L 3.9876 8.0517 120.3357 58.3142 41.6987 178.2876 66 D 4.5497 8.4079 117.9998 57.9515 41.0159 179.1575 67 R 4.4294 7.5085 119.0063 57.9962 30.0099 178.5847 68 W 4.4083 7.9984 127.0089 60.4448 30.6757 177.4850 69 R 3.8876 7.5565 114.8804 56.9187 30.0489 177.0058 70 S 4.5355 7.9921 112.9721 58.3512 64.8325 174.7725 71 V 3.5836 7.7436 113.2253 61.6032 31.7994 175.6289 72 N 4.2130 8.8952 121.6963 53.9295 39.5961 175.1454 73 K 3.8693 8.6026 129.3206 59.7781 32.3978 177.5368 74 Q 3.9281 8.0493 118.8780 59.8063 29.1368 178.5192 75 T 3.8465 7.8343 115.8428 66.3408 68.5516 176.4328 76 A 4.0725 8.6997 123.2649 55.3509 18.3088 179.3412 77 M 3.8967 8.1965 116.4929 58.6832 32.2816 177.9934 78 K 3.7530 7.9165 119.8228 60.1051 32.2586 178.1496 79 H 3.9615 7.8880 115.5360 58.8833 28.7306 177.6510 80 L 4.0124 7.6992 120.6854 58.0774 41.3536 179.7894 81 L 4.0609 8.1056 118.8545 57.6789 41.4349 179.4180 82 S 4.1754 7.6567 113.3544 60.9291 62.1822 176.1968 83 F 4.5507 7.8019 120.7774 60.6727 38.4936 177.5199 84 K 4.0067 8.1305 116.8214 59.4669 32.1738 178.9698 85 K 4.1283 7.8943 119.4800 59.5360 32.0654 178.7397 86 E 4.0042 8.4368 119.0304 59.5744 29.4617 179.2434 87 L 4.1268 8.4597 119.3919 57.6928 41.5426 179.9292 88 G 3.6446 7.9777 105.5094 48.0373 0.0000 175.8768 89 T 3.8952 7.9654 118.2498 66.1812 68.1804 176.5157 90 L 4.1017 7.5011 120.3247 57.5077 41.4771 179.3272 91 T 3.9765 7.8855 109.8588 65.0708 68.7991 176.5643 92 S 4.1078 8.2582 116.8127 60.6845 61.7536 176.0997 93 A 4.0262 7.8446 122.8259 55.2822 18.0453 179.3634 94 I 3.9442 7.4133 115.3310 62.9941 37.3170 177.4225 95 N 4.4853 7.6093 117.7355 55.6141 38.8840 174.6459 96 R 4.0932 7.4424 122.3999 56.6818 30.1184 176.1996 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 39 G 8.35 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.43 3.93 0.00 1.88 1.92 0.00 3.34 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 1.62 1.62 0.00 41 G 9.50 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.36 2.11 0.00 3.50 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 43 T 8.83 3.99 4.33 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 1.29 0.00 0.00 44 R 7.95 3.92 0.00 1.97 1.31 0.00 3.06 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 45 F 8.28 3.90 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.79 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 1.05 0.00 0.00 0.99 0.00 0.00 47 L 8.30 4.10 0.00 2.17 2.10 1.11 1.04 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 48 A 8.82 3.20 1.16 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 0.00 0.00 0.00 49 L 8.40 3.99 0.00 2.15 1.88 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.02 3.76 0.00 1.91 1.52 0.08 0.56 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 51 A 8.10 3.42 0.67 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 0.00 0.00 52 F 8.06 3.68 0.00 2.89 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 53 F 8.94 3.97 0.00 3.19 3.16 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 0.00 54 R 7.14 4.24 0.00 1.72 1.94 0.00 2.96 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 55 F 7.86 4.52 0.00 2.77 2.84 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 56 T 6.94 3.82 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 0.99 0.00 0.00 57 A 8.17 4.31 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 58 I 7.48 4.38 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.69 0.00 0.00 59 A 8.65 4.25 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 60 P 0.00 4.11 0.00 1.81 1.55 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 61 T 7.78 4.04 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 1.26 0.00 0.00 62 R 8.74 3.86 0.00 1.87 2.05 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 63 A 7.94 4.14 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 64 V 7.44 3.38 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 0.77 0.00 0.00 0.75 0.00 0.00 65 L 8.05 3.99 0.00 1.83 1.67 1.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.41 4.55 0.00 2.81 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 67 R 7.51 4.43 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 68 W 8.00 4.41 0.00 3.33 3.42 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 69 R 7.56 3.89 0.00 1.86 1.87 0.00 3.40 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 70 S 7.99 4.54 0.00 3.94 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 71 V 7.74 3.58 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 0.78 0.00 0.00 0.76 0.00 0.00 72 N 8.90 4.21 0.00 2.81 2.71 0.00 0.00 6.80 6.75 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 73 K 8.60 3.87 0.00 1.79 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 74 Q 8.05 3.93 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 75 T 7.83 3.85 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 1.19 0.00 0.00 76 A 8.70 4.07 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.20 3.90 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 78 K 7.92 3.75 0.00 1.79 1.87 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.41 7.81 79 H 7.89 3.96 0.00 3.27 2.87 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 80 L 7.70 4.01 0.00 1.77 1.86 1.18 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.11 4.06 0.00 1.93 1.69 0.93 0.63 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 82 S 7.66 4.18 0.00 3.78 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.80 4.55 0.00 3.38 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 84 K 8.13 4.01 0.00 2.07 1.95 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.57 7.81 85 K 7.89 4.13 0.00 1.97 1.92 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 86 E 8.44 4.00 0.00 2.32 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 2.59 2.62 0.00 87 L 8.46 4.13 0.00 1.90 1.72 0.89 0.90 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 88 G 7.98 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.97 3.90 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 1.22 0.00 0.00 90 L 7.50 4.10 0.00 1.75 1.71 0.92 1.35 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 91 T 7.89 3.98 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 1.18 0.00 0.00 92 S 8.26 4.11 0.00 3.91 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 93 A 7.84 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.41 3.94 1.95 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 1.42 0.96 0.90 0.00 0.00 95 N 7.61 4.49 0.00 2.66 2.93 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.44 4.09 0.00 1.88 1.83 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00