NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2557 8.2649 123.5871 50.4348 20.6768 176.6237 2 R 3.7559 8.3081 112.9648 56.0426 27.3728 174.0708 3 D 4.8404 7.9336 117.6609 55.1481 47.3800 174.6914 4 D 4.7429 7.6278 117.7461 50.4669 39.2558 171.9247 5 P 4.4187 0.0000 0.0000 63.4880 32.4675 176.9225 6 H 4.5022 8.6869 119.4753 55.5237 29.4413 174.6498 7 F 5.0290 8.1472 117.2858 54.6638 40.8798 174.4068 8 N 4.3477 9.0317 119.0676 53.5681 37.5595 174.9068 9 F 4.6896 8.5111 126.2468 58.6046 40.3085 173.5646 10 R 3.8996 10.1177 128.6378 56.7873 27.2188 173.6666 11 M 4.3247 7.6695 119.2970 51.6537 36.4966 173.5907 12 P 4.1878 0.0000 0.0000 62.7254 33.4768 176.4653 13 M 3.8722 8.7248 120.8078 59.1644 32.0620 178.6376 14 E 3.9508 8.1218 116.8296 59.3126 29.6402 178.9519 15 V 3.4883 7.6524 118.6434 65.9480 31.7117 177.9563 16 R 3.4823 7.7372 117.7073 58.9440 29.8276 178.2638 17 E 3.4357 8.3382 119.0471 59.0834 29.4555 179.2743 18 K 4.0498 8.5190 118.6977 59.6491 32.1874 179.2390 19 L 3.9969 8.6625 121.3118 57.7627 41.9800 178.5784 20 K 4.0743 8.0387 119.3020 59.2538 32.2122 177.6870 21 F 4.4764 8.9442 118.7841 59.6730 38.7999 178.3593 22 R 3.7356 8.5783 117.6675 59.8420 30.8552 177.6193 23 A 4.5072 8.2512 121.7861 55.5859 17.8669 179.2868 24 E 3.9344 9.1629 118.3594 58.4722 30.1422 179.0073 25 A 4.1859 7.8379 120.4209 55.0933 18.4805 178.2372 26 N 4.8672 8.2795 111.2904 54.6972 40.8729 173.5370 27 G 3.3964 7.0163 108.7369 45.4179 0.0000 173.2692 28 R 4.6767 8.0427 118.2927 53.8021 34.3853 174.8267 29 S 4.5383 8.2157 112.7698 56.3136 64.6205 174.3413 30 M 4.0019 8.8831 126.4106 58.7125 31.5154 177.9238 31 N 4.1992 8.2898 116.2787 57.7076 38.9434 175.5356 32 S 4.1438 8.1473 112.9679 62.3509 62.1291 175.8457 33 E 3.8601 7.9246 120.1376 59.2445 29.9442 178.5606 34 L 3.9381 7.8306 120.4223 58.5402 41.9599 179.0285 35 L 3.9515 7.6337 118.2703 58.1148 41.6608 179.7715 36 Q 3.9817 8.5661 118.2814 58.8487 28.5377 178.5712 37 I 3.7691 8.5887 120.1366 63.3510 37.8709 178.0940 38 V 3.6559 7.8201 119.3081 65.8180 31.7808 177.7870 39 Q 4.0264 8.1765 119.3827 58.2422 28.5241 178.5739 40 D 4.2719 8.1596 118.6234 57.5283 41.0552 178.3909 41 A 4.0442 8.0085 120.2853 54.0985 18.5425 177.9476 42 L 4.6353 8.0614 114.0121 55.4355 41.2318 176.8753 43 S 4.6542 7.8786 112.6942 57.1964 65.4180 176.8924 44 K 3.8376 8.6836 124.2118 57.1064 29.9083 176.3359 45 P 4.5868 0.0000 0.0000 62.6916 32.2691 176.8538 46 S 4.2593 8.6648 120.8564 57.3211 63.2123 172.8155 47 P 4.5764 0.0000 0.0000 62.0877 29.9205 176.4363 48 V 3.6719 7.8924 124.0938 65.3455 31.9721 177.2899 49 T 4.0204 7.3089 120.0964 61.4902 69.5676 173.9928 50 G 4.0874 7.5699 120.4793 44.3464 0.0000 172.9905 51 Y 4.8902 7.3270 114.4165 55.9413 39.4418 174.0645 52 R 4.5467 7.9116 121.7596 54.3764 33.3927 173.8288 53 N 4.2883 8.1440 120.9468 53.0014 39.6210 173.3045 54 D 4.8523 7.8473 115.6994 53.6138 39.9966 178.4550 55 A 4.0732 8.1637 123.1170 55.7042 18.4459 178.3869 56 E 3.9619 8.2275 117.0379 57.9019 29.7559 177.7528 57 R 4.2527 7.6557 117.3183 58.7362 31.1322 177.9239 58 L 3.8422 8.0459 118.6782 57.2733 40.0894 178.8478 59 A 3.5280 8.1851 114.6576 56.2867 17.9024 178.0778 60 D 4.6200 6.0500 123.6974 54.3500 41.7478 177.7795 61 E 4.4245 8.7932 119.2934 56.8829 30.5810 177.6512 62 Q 4.1506 7.8354 119.9953 57.8237 29.3128 176.6559 63 S 4.6565 7.8305 107.9260 57.5652 64.7547 173.3598 64 E 4.7598 7.9068 118.9447 56.8038 29.3578 175.2716 65 L 4.4216 7.5168 117.5533 55.9716 44.3719 177.9337 66 V 3.7238 7.4858 114.9693 61.9667 32.1338 172.5616 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 4.26 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 0.00 0.00 0.00 0.00 0.00 2 R 8.31 3.76 0.00 2.06 2.05 0.00 3.41 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 3 D 7.93 4.84 0.00 2.57 2.61 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 4 D 7.63 4.74 0.00 2.70 2.58 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 0.00 0.00 0.00 0.00 5 P 0.00 4.42 0.00 2.26 2.12 0.00 3.76 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 2.02 2.00 0.00 6 H 8.69 4.50 0.00 3.18 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.15 5.03 0.00 3.00 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 8 N 9.03 4.35 0.00 2.90 2.95 0.00 0.00 6.66 7.45 0.00 0.00 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 F 8.51 4.69 0.00 2.12 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 10 R 10.12 3.90 0.00 1.92 2.37 0.00 3.43 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 11 M 7.67 4.32 0.00 1.68 1.60 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 12 P 0.00 4.19 0.00 2.10 1.97 0.00 3.51 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 2.09 2.14 0.00 13 M 8.72 3.87 0.00 2.02 2.06 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 2.66 2.55 0.00 14 E 8.12 3.95 0.00 2.25 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 2.35 2.37 0.00 15 V 7.65 3.49 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 1.00 0.00 0.00 0.93 0.00 0.00 16 R 7.74 3.48 0.00 1.91 1.78 0.00 3.21 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 17 E 8.34 3.44 0.00 2.06 1.85 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 1.94 2.19 0.00 18 K 8.52 4.05 0.00 1.94 1.92 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.66 7.81 19 L 8.66 4.00 0.00 1.91 1.65 1.06 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.04 4.07 0.00 1.84 1.63 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.40 7.81 21 F 8.94 4.48 0.00 3.12 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 22 R 8.58 3.74 0.00 2.15 2.19 0.00 3.14 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 23 A 8.25 4.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.16 3.93 0.00 2.05 2.09 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 2.51 2.47 0.00 25 A 7.84 4.19 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 0.00 0.00 0.00 0.00 0.00 26 N 8.28 4.87 0.00 2.79 2.97 0.00 0.00 7.39 7.86 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 27 G 7.02 3.40 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 0.00 28 R 8.04 4.68 0.00 1.84 1.79 0.00 3.08 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 29 S 8.22 4.54 0.00 3.94 3.97 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 30 M 8.88 4.00 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.81 0.00 31 N 8.29 4.20 0.00 2.77 2.82 0.00 0.00 6.79 8.09 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 32 S 8.15 4.14 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.86 0.00 1.93 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 2.39 2.37 0.00 34 L 7.83 3.94 0.00 1.85 1.74 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.63 3.95 0.00 1.96 1.69 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.57 3.98 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 37 I 8.59 3.77 2.19 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 1.42 1.48 1.03 0.00 0.00 38 V 7.82 3.66 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 1.01 0.00 0.00 0.89 0.00 0.00 39 Q 8.18 4.03 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 40 D 8.16 4.27 0.00 2.95 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 41 A 8.01 4.04 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 42 L 8.06 4.64 0.00 1.69 1.73 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.88 4.65 0.00 4.01 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 44 K 8.68 3.84 0.00 1.96 1.62 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 45 P 0.00 4.59 0.00 2.26 2.21 0.00 3.99 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 46 S 8.66 4.26 0.00 4.01 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 47 P 0.00 4.58 0.00 2.17 2.12 0.00 3.39 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 48 V 7.89 3.67 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.80 0.00 0.00 49 T 7.31 4.02 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 1.25 0.00 0.00 50 G 7.57 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 51 Y 7.33 4.89 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.55 0.00 1.72 1.77 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 53 N 8.14 4.29 0.00 2.89 2.90 0.00 0.00 5.98 8.07 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 54 D 7.85 4.85 0.00 2.84 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.07 1.30 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 0.00 0.00 0.00 56 E 8.23 3.96 0.00 2.14 2.02 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 2.32 2.39 0.00 57 R 7.66 4.25 0.00 1.92 2.09 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 58 L 8.05 3.84 0.00 1.88 1.93 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.19 3.53 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 60 D 6.05 4.62 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.42 0.00 2.15 1.98 0.00 0.00 0.00 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 2.27 0.00 62 Q 7.84 4.15 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 63 S 7.83 4.66 0.00 3.78 3.76 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 64 E 7.91 4.76 0.00 2.20 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 0.00 2.23 2.23 0.00 65 L 7.52 4.42 0.00 1.71 1.67 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.49 3.72 2.08 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 0.60 0.00 0.00 0.95 0.00 0.00