NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.1312 8.3449 119.6935 56.2271 29.7254 175.3463 6 I 3.0257 8.7058 134.7673 61.2907 33.2844 169.8900 7 Y 4.2550 9.1412 128.9018 57.2168 40.8256 173.1759 8 Y 4.4915 7.8116 124.4590 56.1048 39.3981 175.7779 9 S 4.2981 8.5304 119.8933 57.8089 63.4961 173.3891 10 D 4.6842 8.5555 122.6218 54.1105 41.4299 176.5406 11 K 4.6378 8.5868 120.7328 56.5115 33.3251 176.0221 12 Y 5.1243 8.4702 120.5360 55.6660 41.7940 173.6738 13 D 5.8086 9.0220 119.9747 53.0162 45.4301 174.1882 14 D 5.0079 8.8436 118.5272 52.7118 41.4976 175.0259 15 E 4.1389 9.3183 116.8415 59.6396 29.7849 177.3350 16 E 4.5835 8.3063 113.0416 55.6570 31.4164 174.9892 17 F 5.1644 9.1981 118.8754 55.9783 43.9044 173.1103 18 E 5.3406 8.8837 120.8313 54.0576 33.1734 174.2056 19 Y 5.6048 9.2938 121.8023 56.5612 43.2749 173.9355 20 R 4.6877 7.5596 115.9753 56.4240 32.7974 173.1418 21 H 5.4683 8.2949 115.2390 53.9061 32.5615 172.2063 22 V 4.6436 8.8338 119.9196 61.4603 34.7676 173.9085 23 M 4.8174 9.0510 127.9118 54.0390 33.6614 175.1199 24 L 4.8105 8.7659 124.3286 52.5857 43.7414 175.1532 25 P 4.5450 0.0000 0.0000 61.9112 32.2138 177.6788 26 K 3.9939 8.5406 119.1568 59.9462 32.0855 179.0255 27 D 4.4586 8.0500 118.7696 57.5230 40.8989 178.5596 28 I 3.7333 7.7705 119.3459 64.5088 37.2803 178.2984 29 A 4.1133 8.1758 121.3603 54.7133 17.9636 179.1886 30 K 4.2201 7.9087 115.2830 57.9380 32.2954 178.1240 31 L 4.6042 7.6713 118.2392 53.4539 42.2219 176.0499 32 V 4.1980 7.0431 119.6320 60.3452 32.1467 173.9288 33 P 4.3565 0.0000 0.0000 62.1329 31.1519 175.2573 34 K 3.4894 7.9149 117.9597 59.9095 32.8593 176.8778 35 T 4.6059 7.5280 116.1550 62.0863 68.7859 172.8010 36 H 4.8683 7.8480 119.8939 54.0028 32.9174 172.4321 37 L 4.1392 8.3266 126.8173 54.1325 42.5602 176.2308 38 M 4.7761 8.6425 122.7233 54.0062 34.1859 175.7022 39 S 4.8335 8.3998 115.0057 56.9820 65.3725 175.0376 40 E 2.5400 8.7989 121.2690 59.4719 28.9809 179.8655 41 S 4.0297 7.8315 113.1445 61.5970 62.4330 176.3857 42 E 3.9952 7.8172 121.4079 58.9336 29.7662 178.8455 43 W 4.5764 7.9125 116.2029 59.4476 28.5486 178.5972 44 R 4.3389 8.1070 119.5684 59.0802 29.1751 178.4010 45 N 4.3900 7.8200 115.9460 56.4392 39.0032 176.4938 46 L 4.2774 7.7210 118.9989 55.4438 41.9037 177.5703 47 G 4.0105 7.9563 105.5621 45.2703 0.0000 173.9423 48 V 3.7532 7.9508 118.8022 63.4357 31.0422 174.9718 49 Q 4.5288 8.8508 127.8527 54.8928 29.1625 175.5237 50 Q 4.4231 8.3430 122.3849 54.5515 31.8974 173.4101 51 S 4.4942 8.6245 117.5017 57.8392 63.2606 173.5248 52 Q 4.3738 8.2825 121.0761 56.7493 29.2499 175.4126 53 G 4.0336 8.6481 108.0826 45.9229 0.0000 174.9479 54 W 4.4251 8.1072 119.4379 56.6192 29.7373 175.2849 55 V 4.7365 9.4588 123.0850 61.3261 33.7322 174.0839 56 H 4.7716 9.7103 128.4463 56.6836 28.8865 173.8113 57 Y 4.7113 8.3927 123.6698 57.2314 39.1512 175.4361 58 M 4.4983 6.8706 117.6256 54.3008 35.1265 173.4695 59 I 4.2546 7.8009 123.1898 59.6859 40.3556 174.9129 60 H 4.5053 8.5693 126.0137 54.7039 29.2025 174.8949 61 E 3.8961 8.7951 127.5657 59.1890 29.3459 177.6150 62 P 4.3835 0.0000 0.0000 64.7005 31.9296 176.5181 63 E 4.7287 8.0252 117.8930 53.8572 29.7265 174.2266 64 P 4.4967 0.0000 0.0000 64.1931 32.1552 177.3972 65 H 4.7082 8.1578 114.5374 55.9465 30.0511 174.1734 66 I 4.6378 7.2577 120.9726 59.9566 38.4111 175.0837 67 L 4.1329 9.0014 128.5959 53.3765 43.1798 175.7701 68 L 4.6445 7.9361 124.4081 53.3767 43.3327 175.4061 69 F 5.4918 9.0310 123.5549 55.8653 41.6880 175.0318 70 R 4.9950 9.5116 122.5056 54.9430 34.0424 174.0948 71 R 4.7121 8.1687 122.4167 54.3179 33.8162 172.4283 72 P 4.4310 0.0000 0.0000 63.0664 31.8659 175.9320 73 L 4.3452 8.1761 122.4972 52.9118 43.2153 175.3000 74 P 4.3245 0.0000 0.0000 63.0313 31.2491 176.5609 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 5 Q 8.34 4.13 0.00 2.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.80 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 6 I 8.71 3.03 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.38 0.00 0.00 7 Y 9.14 4.25 0.00 3.04 2.75 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 0.00 8 Y 7.81 4.49 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 9 S 8.53 4.30 0.00 3.83 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 10 D 8.56 4.68 0.00 2.72 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 11 K 8.59 4.64 0.00 1.73 1.89 0.00 1.84 0.00 0.00 2.07 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 12 Y 8.47 5.12 0.00 3.07 3.05 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 13 D 9.02 5.81 0.00 2.71 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 14 D 8.84 5.01 0.00 2.87 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 15 E 9.32 4.14 0.00 2.01 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 2.34 2.37 0.00 16 E 8.31 4.58 0.00 1.55 1.92 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 2.18 1.91 0.00 17 F 9.20 5.16 0.00 2.86 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 0.00 0.00 0.00 18 E 8.88 5.34 0.00 1.91 1.71 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 2.58 2.43 0.00 19 Y 9.29 5.60 0.00 1.94 2.43 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 20 R 7.56 4.69 0.00 1.66 1.61 0.00 2.55 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 21 H 8.29 5.47 0.00 3.26 3.46 0.00 5.20 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.83 4.64 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 0.50 0.00 0.00 0.91 0.00 0.00 23 M 9.05 4.82 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 24 L 8.77 4.81 0.00 1.49 1.59 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.55 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 26 K 8.54 3.99 0.00 1.69 1.87 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.56 7.81 27 D 8.05 4.46 0.00 2.70 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 28 I 7.77 3.73 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.99 0.00 0.00 29 A 8.18 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.22 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.71 1.62 7.81 31 L 7.67 4.60 0.00 1.84 1.73 0.99 0.66 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 32 V 7.04 4.20 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 0.83 0.00 0.00 1.02 0.00 0.00 33 P 0.00 4.36 0.00 2.12 1.97 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 34 K 7.91 3.49 0.00 1.69 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 35 T 7.53 4.61 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 1.27 0.00 0.00 36 H 7.85 4.87 0.00 3.03 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.33 4.14 0.00 1.60 1.63 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.64 4.78 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 39 S 8.40 4.83 0.00 4.02 4.02 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 40 E 8.80 2.54 0.00 1.74 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 41 S 7.83 4.03 0.00 3.96 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 42 E 7.82 4.00 0.00 2.30 2.16 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 2.39 2.34 0.00 43 W 7.91 4.58 0.00 3.62 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 4.34 0.00 1.64 1.91 0.00 2.95 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.50 0.00 45 N 7.82 4.39 0.00 2.83 3.12 0.00 0.00 7.26 9.11 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 46 L 7.72 4.28 0.00 2.02 1.81 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.96 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.95 3.75 2.65 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 0.56 0.00 0.00 1.04 0.00 0.00 49 Q 8.85 4.53 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.40 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 50 Q 8.34 4.42 0.00 1.77 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 51 S 8.62 4.49 0.00 4.00 4.01 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 0.00 0.00 0.00 52 Q 8.28 4.37 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 53 G 8.65 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 54 W 8.11 4.43 0.00 3.21 2.91 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 55 V 9.46 4.74 2.27 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 1.23 0.00 0.00 1.11 0.00 0.00 56 H 9.71 4.77 0.00 3.38 3.57 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.39 4.71 0.00 2.95 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 58 M 6.87 4.50 0.00 1.17 1.04 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 2.41 2.40 0.00 59 I 7.80 4.25 1.80 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 1.19 0.64 0.90 0.00 0.00 60 H 8.57 4.51 0.00 3.07 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.80 3.90 0.00 1.88 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 0.00 2.28 2.38 0.00 62 P 0.00 4.38 0.00 2.00 2.08 0.00 2.83 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 63 E 8.03 4.73 0.00 2.00 1.82 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 2.25 2.29 0.00 64 P 0.00 4.50 0.00 2.18 2.15 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 65 H 8.16 4.71 0.00 3.41 3.56 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.26 4.64 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.85 0.00 0.00 67 L 9.00 4.13 0.00 1.34 0.80 0.97 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.94 4.64 0.00 1.25 1.29 0.73 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.03 5.49 0.00 2.83 3.09 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 70 R 9.51 5.00 0.00 0.72 1.41 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 71 R 8.17 4.71 0.00 0.70 0.66 0.00 2.60 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.27 0.00 72 P 0.00 4.43 0.00 1.89 1.78 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 73 L 8.18 4.35 0.00 1.38 1.51 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.32 0.00 1.97 1.92 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00