NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.5807 8.0033 121.6920 57.7795 39.1320 173.9704 12 Q 4.1037 7.7732 126.0861 55.9916 30.4768 174.9956 13 T 4.1396 6.9525 112.8116 59.9167 71.9014 172.6555 14 A 4.0254 8.3240 125.6105 51.5456 18.5916 175.9457 15 P 4.6553 0.0000 0.0000 61.3199 32.6771 175.7496 16 F 4.1294 8.8205 120.5320 58.9304 39.6075 173.7277 17 D 4.6306 7.9012 126.3335 51.9920 42.7517 176.3507 18 S 3.9156 8.2675 121.5588 60.2569 63.0903 175.3407 19 R 3.8784 8.0689 119.9482 57.7269 30.1519 176.9504 20 F 4.9078 7.7533 116.5351 55.1827 39.3529 172.5369 21 P 4.7618 0.0000 0.0000 63.1418 32.3145 176.3055 22 N 5.0467 7.7420 116.3536 51.5251 41.1179 174.4643 23 Q 4.0530 8.6349 117.2529 59.1385 28.8087 176.6274 24 N 4.5603 8.1435 116.7771 53.6038 38.8831 174.5404 25 Q 4.5789 8.5640 124.0109 56.0995 29.3993 177.4019 26 T 4.1570 8.0877 119.4754 67.0009 68.5722 176.4743 27 R 4.1285 8.0285 119.9432 58.9813 30.1428 177.5095 28 N 3.1400 7.4802 116.6670 56.4692 38.7632 176.7326 29 C 4.3255 8.0261 118.9268 59.6829 42.5409 175.4722 30 W 4.2670 8.3714 129.1861 60.6902 30.3877 177.7186 31 Q 3.7316 8.7524 119.8284 59.2697 28.4572 177.9044 32 N 4.6666 8.3734 117.5934 56.1900 38.5846 176.8919 33 Y 3.5440 8.2829 121.1527 60.5033 38.9201 177.6713 34 L 3.5771 7.7561 120.1594 57.9740 41.6370 179.0191 35 D 4.0091 8.2239 118.7122 57.4391 40.6147 179.0599 36 F 4.2782 8.2317 120.7922 61.8882 39.5733 176.9251 37 H 3.7498 7.8385 115.4107 58.1675 28.3225 178.1252 38 R 3.7365 8.0997 120.5774 59.2272 29.8493 177.9965 39 C 4.1052 8.0322 118.3051 59.8916 44.6947 175.3284 40 E 3.6156 7.7372 120.1534 59.2162 28.8722 179.4567 41 K 3.8021 7.6388 118.8472 59.3767 32.4073 178.8129 42 A 3.9062 8.1260 121.2810 55.4397 18.3240 179.3784 43 M 3.9739 8.1431 117.3976 59.0727 31.8224 179.1896 44 T 4.0976 7.9167 114.3658 66.0147 68.7749 176.1282 45 A 3.9252 8.9075 122.1344 54.6804 17.7665 179.4544 46 K 3.9959 6.9251 116.0135 55.5446 32.8968 178.1802 47 G 3.9426 9.4946 104.1834 46.9431 0.0000 172.1432 48 G 4.2019 8.4370 107.0577 43.7758 0.0000 170.0298 49 D 4.6442 8.3263 119.2935 52.6367 41.5228 177.6948 50 V 3.6429 8.4944 127.5107 66.0550 31.1950 177.5276 51 S 4.4235 8.2445 112.9600 60.7232 62.5040 176.4901 52 V 3.7451 7.6315 115.4528 63.7812 31.4587 176.6680 53 C 4.7780 8.5946 115.9733 57.9582 39.4373 175.0382 54 E 3.8221 8.0397 122.0443 58.7249 29.1337 178.2744 55 W 3.9774 8.1844 128.1881 60.8239 30.6865 177.4390 56 Y 4.3223 7.6358 116.6033 60.9851 37.2908 178.4538 57 R 2.7401 7.8655 119.3556 58.8145 29.9628 178.6875 58 R 3.2785 7.2408 117.7931 58.8805 29.9105 178.8667 59 V 3.5991 7.2374 119.4296 65.6262 31.4953 177.7475 60 Y 4.4009 8.1020 117.1917 59.9136 37.5667 178.3694 61 K 3.9221 7.2686 119.8031 59.3944 32.1955 179.0266 62 S 4.2495 8.0186 114.5227 61.3884 62.8256 176.1456 63 L 4.3161 7.6023 119.8812 55.6749 42.3374 176.7856 64 C 4.3750 8.1474 116.4542 55.1746 37.0134 172.4511 65 P 4.1613 0.0000 0.0000 62.8387 32.6613 177.6768 66 I 3.7323 8.1741 122.0528 64.5265 37.0286 178.9906 67 S 4.1377 7.8988 114.6414 60.8975 62.8963 176.5925 68 W 3.5449 7.7757 122.2860 59.4197 28.8257 178.4067 69 V 3.5419 7.4607 118.1128 65.9938 30.8585 178.0531 70 S 4.1443 8.2628 112.9811 61.6864 62.2838 176.2820 71 T 3.8887 8.1147 118.7708 66.5420 68.1403 176.7902 72 W 4.7089 8.3707 121.2653 59.7988 28.9724 178.2335 73 D 4.4833 8.9550 119.2869 57.7299 40.3978 178.4913 74 D 4.4536 8.4255 119.3445 57.7163 40.8367 179.3735 75 R 4.1028 8.3103 118.4194 59.2943 30.0233 179.1876 76 R 4.0970 8.4664 117.8703 59.2830 29.7679 178.9351 77 A 4.0485 7.8407 119.8202 54.6520 18.5182 178.7123 78 E 4.2052 8.1779 116.7140 57.1186 29.8721 177.4798 79 G 4.0306 7.9824 106.7498 45.6081 0.0000 173.6184 80 T 4.5639 8.1919 107.4296 60.7357 69.2387 173.8144 81 F 4.2956 8.3791 125.0870 58.1967 39.6781 173.1762 82 P 4.3509 0.0000 0.0000 63.6828 31.9534 176.4378 83 G 3.8156 6.3890 107.7356 44.8248 0.0000 172.4902 84 K 4.4756 8.3770 120.7618 54.7185 33.2326 176.3591 85 I 4.0815 8.2725 125.9519 61.5058 37.7351 175.2457 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 11 Y 8.00 4.58 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.77 4.10 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 13 T 6.95 4.14 4.12 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 1.12 0.00 0.00 14 A 8.32 4.03 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 15 P 0.00 4.66 0.00 2.36 2.22 0.00 4.09 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 16 F 8.82 4.13 0.00 3.02 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 17 D 7.90 4.63 0.00 2.76 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 18 S 8.27 3.92 0.00 4.04 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 19 R 8.07 3.88 0.00 0.76 1.09 0.00 2.87 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 20 F 7.75 4.91 0.00 2.97 2.95 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 0.00 0.00 0.00 21 P 0.00 4.76 0.00 2.34 2.34 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 22 N 7.74 5.05 0.00 2.82 2.88 0.00 0.00 7.01 7.69 0.00 0.00 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 Q 8.63 4.05 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 24 N 8.14 4.56 0.00 2.74 2.83 0.00 0.00 6.88 7.08 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 25 Q 8.56 4.58 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.67 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 26 T 8.09 4.16 4.38 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 1.40 0.00 0.00 27 R 8.03 4.13 0.00 2.00 2.01 0.00 3.38 0.00 0.00 3.53 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 28 N 7.48 3.14 0.00 2.14 2.80 0.00 0.00 6.85 7.65 0.00 0.00 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 C 8.03 4.33 0.00 3.17 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.37 4.27 0.00 3.57 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 31 Q 8.75 3.73 0.00 2.37 2.19 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 2.65 2.68 0.00 32 N 8.37 4.67 0.00 3.12 3.15 0.00 0.00 6.67 7.59 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 33 Y 8.28 3.54 0.00 3.15 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.76 3.58 0.00 1.51 1.38 0.19 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.22 4.01 0.00 2.24 1.54 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 0.00 0.00 0.00 0.00 36 F 8.23 4.28 0.00 3.29 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 37 H 7.84 3.75 0.00 2.89 3.03 0.00 5.87 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 38 R 8.10 3.74 0.00 1.61 1.84 0.00 2.96 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 39 C 8.03 4.11 0.00 2.98 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 3.62 0.00 1.52 1.73 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 1.95 1.47 0.00 41 K 7.64 3.80 0.00 1.91 1.85 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 42 A 8.13 3.91 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 43 M 8.14 3.97 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 44 T 7.92 4.10 4.31 0.00 0.00 0.00 0.00 0.00 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 45 A 8.91 3.93 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 46 K 6.93 4.00 0.00 1.78 1.84 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.53 7.81 47 G 9.49 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 48 G 8.44 4.20 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 0.00 0.00 0.00 49 D 8.33 4.64 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 3.64 2.04 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 1.15 0.00 0.00 0.88 0.00 0.00 51 S 8.24 4.42 0.00 4.14 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 0.00 52 V 7.63 3.75 2.10 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 0.80 0.00 0.00 1.01 0.00 0.00 53 C 8.59 4.78 0.00 3.15 3.25 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 54 E 8.04 3.82 0.00 2.09 2.13 0.00 0.00 0.00 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 2.26 0.00 55 W 8.18 3.98 0.00 3.34 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 56 Y 7.64 4.32 0.00 3.52 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 57 R 7.87 2.74 0.00 0.67 1.47 0.00 2.81 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 58 R 7.24 3.28 0.00 0.85 0.66 0.00 2.90 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.00 59 V 7.24 3.60 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 1.29 0.00 0.00 0.47 0.00 0.00 60 Y 8.10 4.40 0.00 3.42 3.36 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 61 K 7.27 3.92 0.00 1.63 1.70 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.78 1.10 7.81 62 S 8.02 4.25 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.60 4.32 0.00 1.72 1.73 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.15 4.37 0.00 3.16 3.02 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 0.00 0.00 0.00 65 P 0.00 4.16 0.00 1.28 1.53 0.00 2.21 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 66 I 8.17 3.73 1.83 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 1.67 0.54 0.90 0.00 0.00 67 S 7.90 4.14 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.78 3.54 0.00 2.81 1.74 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 69 V 7.46 3.54 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 1.30 0.00 0.00 1.22 0.00 0.00 70 S 8.26 4.14 0.00 3.97 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 71 T 8.11 3.89 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 1.21 0.00 0.00 72 W 8.37 4.71 0.00 3.27 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 73 D 8.96 4.48 0.00 3.00 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 74 D 8.43 4.45 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.31 4.10 0.00 2.22 2.28 0.00 3.34 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 76 R 8.47 4.10 0.00 1.93 1.89 0.00 2.62 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.00 77 A 7.84 4.05 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 78 E 8.18 4.21 0.00 2.07 2.23 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 2.34 2.35 0.00 79 G 7.98 4.03 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 0.00 0.00 0.00 80 T 8.19 4.56 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 1.25 0.00 0.00 81 F 8.38 4.30 0.00 3.08 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 82 P 0.00 4.35 0.00 2.03 2.01 0.00 2.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 83 G 6.39 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 0.00 0.00 0.00 84 K 8.38 4.48 0.00 1.74 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.44 7.81 85 I 8.27 4.08 1.83 0.00 0.00 0.44 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 0.90 0.78 0.00 0.00