NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2687 8.3149 120.1305 55.5682 33.6720 175.0557 7 E 3.8954 8.4388 119.7736 56.8483 30.4892 174.7671 8 L 5.2619 9.3381 123.9267 53.2094 45.6694 175.4262 9 V 4.9650 8.9417 114.2763 59.6624 36.4301 174.0693 10 L 5.0596 9.0814 124.7598 53.2933 44.4257 175.3514 11 A 4.4629 9.0870 128.6412 52.0812 18.6082 178.1403 12 L 3.8940 9.0939 123.8354 57.1193 42.3528 176.8273 13 Y 4.7830 7.5375 113.9346 55.9757 42.2198 174.7115 14 D 4.8170 8.7895 120.8953 55.0962 42.1294 175.7861 15 Y 4.7212 9.4063 123.4769 56.6678 42.2659 173.3682 16 Q 4.8943 7.9719 126.2035 53.7874 30.4535 175.6286 17 E 4.2870 8.8312 122.6362 56.5687 30.2192 177.0468 18 K 4.6079 9.8700 119.8869 55.9483 33.9382 175.8863 19 S 4.6499 7.5985 112.7378 56.3003 65.6460 173.2704 20 P 4.2190 0.0000 0.0000 65.5233 31.2361 177.7046 21 R 4.4219 7.7912 112.3076 56.2879 29.9025 175.6848 22 E 5.2315 7.9494 118.5078 55.9565 31.1112 175.5932 23 V 4.6945 8.6098 114.0337 60.0972 35.3849 175.2569 24 T 5.0870 8.5366 118.3357 62.7954 70.3876 174.0359 25 M 5.0373 9.4844 121.2449 54.0129 35.5620 173.6254 26 K 5.0945 8.9789 118.1920 53.9240 35.8020 176.0681 27 K 3.8595 8.7768 124.5287 58.5515 32.3314 177.2352 28 G 3.9886 8.9436 115.0336 45.0243 0.0000 173.3924 29 D 4.5039 8.2812 120.6679 54.8025 42.1583 175.6066 30 I 4.8231 8.3360 123.0260 60.0028 38.5559 175.0224 31 L 4.9111 9.2630 127.4824 53.2570 45.2998 175.6639 32 T 4.8077 8.2318 117.9832 62.1578 70.1628 173.9993 33 L 4.3110 8.6914 130.2039 55.2122 41.9868 176.2609 34 L 4.3539 8.8893 127.2738 56.7517 43.1352 177.2166 35 N 4.7537 7.6453 116.7078 52.1002 42.3966 174.9693 36 S 4.2014 8.1857 121.4744 57.8394 63.5486 175.4397 37 T 3.9828 8.5226 114.6548 65.2301 68.7554 174.4152 38 N 4.6799 8.1465 120.2178 52.6600 39.6367 174.8073 39 K 4.2789 8.8405 126.1508 58.7088 32.8656 176.8106 40 D 4.5683 9.2023 118.2539 54.1852 43.3499 176.4494 41 W 4.9179 8.4312 117.2535 54.4836 32.1651 175.0038 42 W 5.3867 9.4296 125.0760 54.9205 31.6789 174.8404 43 K 4.4358 8.8404 125.6774 55.5859 33.1452 175.9243 44 V 4.9944 8.7875 119.6971 59.6845 37.0501 173.6170 45 E 4.9921 9.0072 122.0400 54.5268 32.2272 174.6312 46 V 3.7603 9.2739 127.6365 62.8212 33.6842 177.3184 47 N 3.9401 9.3091 126.5232 53.7110 39.7298 173.4248 48 D 4.8277 8.6289 119.1353 53.0606 41.9825 176.9495 49 R 4.7693 8.9166 120.6845 54.6336 32.9823 175.0258 50 Q 5.6378 8.5637 119.9744 52.9519 31.9562 175.5186 51 G 3.8785 7.6891 107.3306 46.7478 0.0000 170.7143 52 F 5.5924 8.6867 118.6087 56.5914 40.9553 176.0875 53 V 4.8745 8.8721 114.2984 58.6214 36.4375 173.4922 54 P 3.3188 0.0000 0.0000 61.8776 31.3206 177.5307 55 A 2.8494 7.8343 126.4943 54.8631 18.1526 179.3958 56 A 3.8831 7.1657 116.6083 54.5579 18.8885 177.4815 57 Y 4.8797 8.0343 113.5297 58.1374 38.1548 175.1336 58 V 5.0167 7.2318 112.6112 59.3029 35.4997 174.9779 59 K 4.6090 8.8618 124.0443 54.1295 34.8972 175.3040 60 K 4.4233 9.1246 129.2672 56.8876 32.9170 175.7600 61 L 4.7059 9.0017 128.5222 53.0766 43.0816 176.3992 62 D 4.4852 8.5775 122.7807 53.3183 39.7244 176.4820 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 6 K 8.31 4.27 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 7 E 8.44 3.90 0.00 1.92 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 2.36 2.34 0.00 8 L 9.34 5.26 0.00 1.58 1.55 0.92 0.98 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 9 V 8.94 4.96 2.28 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 0.95 0.00 0.00 1.05 0.00 0.00 10 L 9.08 5.06 0.00 1.73 1.64 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.09 4.46 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 12 L 9.09 3.89 0.00 1.18 1.16 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.54 4.78 0.00 2.56 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 14 D 8.79 4.82 0.00 2.62 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 15 Y 9.41 4.72 0.00 3.32 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 16 Q 7.97 4.89 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 17 E 8.83 4.29 0.00 2.08 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 2.33 2.33 0.00 18 K 9.87 4.61 0.00 1.87 1.85 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.41 7.81 19 S 7.60 4.65 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.05 2.17 0.00 3.63 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 2.01 2.08 0.00 21 R 7.79 4.42 0.00 2.23 2.19 0.00 2.28 0.00 0.00 2.94 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 22 E 7.95 5.23 0.00 2.18 2.21 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 2.54 2.20 0.00 23 V 8.61 4.69 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 0.76 0.00 0.00 1.03 0.00 0.00 24 T 8.54 5.09 4.30 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 1.31 0.00 0.00 25 M 9.48 5.04 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 26 K 8.98 5.09 0.00 1.90 1.73 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.37 7.81 27 K 8.78 3.86 0.00 1.80 1.74 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.34 7.81 28 G 8.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.50 0.00 2.68 2.64 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 30 I 8.34 4.82 1.88 0.00 0.00 0.87 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 0.83 0.92 0.00 0.00 31 L 9.26 4.91 0.00 1.59 1.69 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.23 4.81 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 1.19 0.00 0.00 33 L 8.69 4.31 0.00 1.57 1.59 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.89 4.35 0.00 1.52 1.62 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.65 4.75 0.00 2.69 2.60 0.00 0.00 6.70 7.63 0.00 0.00 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 S 8.19 4.20 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 3.98 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 1.24 0.00 0.00 38 N 8.15 4.68 0.00 2.88 3.30 0.00 0.00 6.92 6.68 0.00 0.00 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 K 8.84 4.28 0.00 1.82 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 40 D 9.20 4.57 0.00 2.75 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.43 4.92 0.00 3.10 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 42 W 9.43 5.39 0.00 3.27 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 43 K 8.84 4.44 0.00 1.27 1.42 0.00 1.30 0.00 0.00 1.45 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.00 0.28 7.81 44 V 8.79 4.99 2.12 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 0.75 0.00 0.00 1.02 0.00 0.00 45 E 9.01 4.99 0.00 1.98 1.75 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 2.35 2.31 0.00 46 V 9.27 3.76 2.12 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 0.93 0.00 0.00 0.99 0.00 0.00 47 N 9.31 3.94 0.00 2.82 2.61 0.00 0.00 7.10 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.63 4.83 0.00 2.81 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 49 R 8.92 4.77 0.00 1.76 1.87 0.00 3.09 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 50 Q 8.56 5.64 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 51 G 7.69 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.69 5.59 0.00 3.05 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 53 V 8.87 4.87 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 0.96 0.00 0.00 0.98 0.00 0.00 54 P 0.00 3.32 0.00 0.63 0.59 0.00 2.47 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.59 0.00 55 A 7.83 2.85 -0.12 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 0.00 0.00 56 A 7.17 3.88 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 57 Y 8.03 4.88 0.00 3.03 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 58 V 7.23 5.02 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 0.73 0.00 0.00 1.09 0.00 0.00 59 K 8.86 4.61 0.00 1.78 1.63 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 60 K 9.12 4.42 0.00 2.00 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 61 L 9.00 4.71 0.00 1.51 1.60 0.93 1.00 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 62 D 8.58 4.49 0.00 2.77 2.64 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