NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6591 8.2833 119.1989 53.1668 39.6443 174.4388 7 I 3.4316 8.4913 127.9369 63.7907 37.0673 176.4062 8 Q 3.8162 8.8080 121.0941 59.3745 29.3314 177.7110 9 D 4.1869 9.3395 120.8971 57.2434 40.9080 178.8900 10 K 3.8278 8.2656 119.1363 59.2471 32.0173 179.3535 11 A 3.3098 7.7337 120.8930 54.9334 18.2223 179.7446 12 L 3.5126 7.2582 117.4929 57.4090 41.3852 179.3665 13 E 4.1527 7.8802 120.7057 58.7846 29.6391 178.4383 14 N 4.2297 7.7429 116.8570 56.7428 39.0144 176.8386 15 F 4.5342 8.0636 119.5584 60.6996 38.9639 177.2100 16 K 4.3250 8.9259 121.0057 58.7917 31.8477 178.3749 17 A 4.0344 8.2094 122.3973 55.4029 18.4335 178.1251 18 N 4.6831 8.3100 109.7576 52.7460 38.8520 174.9792 19 Q 3.4390 8.3808 116.6827 56.8946 27.1527 174.3813 20 T 4.0146 7.7348 112.4531 63.8319 69.4959 175.7001 21 E 4.4614 8.7233 124.7970 55.8244 29.0238 175.4978 22 V 4.2149 8.3780 124.5118 60.2158 34.1948 175.1043 23 T 4.7235 8.8368 121.3748 62.1484 70.4819 173.6131 24 V 4.4571 8.4899 127.4330 61.3528 33.5131 174.3334 25 F 4.9916 9.0629 127.0570 55.9428 41.3472 175.5900 26 F 4.9078 9.1132 122.1374 55.8546 40.8231 176.9939 27 L 4.0926 8.8790 120.7244 58.0514 41.4096 178.5672 28 N 4.6020 8.2977 113.0125 53.2175 37.7287 175.7575 29 G 4.1397 8.6022 108.8506 45.3475 0.0000 174.0942 30 F 4.5266 8.6721 122.5135 58.0673 40.0379 173.8114 31 Q 4.4288 6.8180 122.4932 54.1795 31.3127 174.3273 32 M 4.3988 8.1658 118.9291 53.8897 35.7281 173.3440 33 K 4.6032 8.5011 127.8110 55.5445 33.8003 175.7153 34 G 4.1389 8.4849 113.4826 45.9344 0.0000 171.3329 35 V 4.9026 8.1216 119.2273 61.1241 34.6975 176.1085 36 I 4.3941 8.3060 128.1197 60.5917 37.2768 175.9753 37 E 4.3012 8.8808 128.4305 58.6194 30.3743 176.8679 38 E 4.6529 7.8331 115.0442 56.0632 31.5948 173.1911 39 Y 5.0405 7.3685 115.9718 57.0926 40.2768 172.6520 40 D 4.9834 8.7204 118.2668 52.8712 41.4837 175.1190 41 K 4.1403 8.8287 117.0522 59.0720 32.3544 177.1424 42 Y 4.8158 9.1412 115.8956 58.0116 40.4757 175.4212 43 V 5.2218 7.9432 110.9576 59.6261 37.0004 174.5814 44 V 4.9388 8.9183 121.2990 61.4627 35.1840 173.8455 45 S 5.2251 9.4728 123.3241 56.8957 63.8729 172.5435 46 L 5.4042 9.1949 129.1873 53.3535 46.0337 174.6985 47 N 5.5944 8.8407 119.2462 51.6078 42.0038 173.6656 48 S 4.7593 9.0207 118.8764 56.9777 65.9654 174.0501 49 Q 3.1493 9.8334 126.4439 57.3617 27.2373 174.0920 50 G 3.9061 8.5457 98.8827 46.9833 0.0000 173.0637 51 K 4.6144 7.7953 117.0213 54.2865 36.2281 174.9588 52 Q 5.0255 8.3325 121.9466 54.9153 31.2844 174.4070 53 H 4.9062 9.3577 122.0003 53.9665 32.9473 171.9360 54 L 5.0043 8.7283 125.3651 53.6179 43.3478 175.1793 55 I 4.6378 8.7625 128.0552 59.6436 40.1968 174.8870 56 Y 4.7697 8.4878 124.1088 57.1293 38.9403 176.9576 57 K 4.0631 9.2360 124.8188 59.5904 32.3732 178.9051 58 H 4.3443 8.4177 112.8289 57.4903 28.6969 175.6146 59 A 4.6928 8.2533 122.3962 51.9809 19.6206 176.1324 60 I 4.3015 7.5243 117.9963 60.2900 38.3644 175.6561 61 S 4.5653 8.9246 120.2448 60.5063 64.1753 174.4729 62 T 4.6443 7.4220 115.0958 61.9090 73.1647 171.9625 63 Y 5.1361 8.5791 120.8717 56.6922 40.3535 175.4323 64 T 4.8217 9.4393 120.4641 61.8628 72.5238 173.4781 65 V 4.6755 8.1676 117.0418 59.3311 35.8379 175.4813 66 E 4.1229 8.7286 122.0548 56.7959 29.3927 176.8733 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 N 8.28 4.66 0.00 2.72 2.77 0.00 0.00 7.05 6.82 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 7 I 8.49 3.43 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.86 0.00 0.00 8 Q 8.81 3.82 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 9 D 9.34 4.19 0.00 2.84 2.69 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 0.00 0.00 0.00 0.00 10 K 8.27 3.83 0.00 1.77 1.75 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.63 7.81 11 A 7.73 3.31 0.81 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 12 L 7.26 3.51 0.00 0.66 0.29 0.45 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.88 4.15 0.00 2.24 2.05 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 2.32 2.23 0.00 14 N 7.74 4.23 0.00 2.74 2.60 0.00 0.00 7.29 7.66 0.00 0.00 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 F 8.06 4.53 0.00 3.06 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 16 K 8.93 4.32 0.00 2.14 2.08 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.51 1.67 7.81 17 A 8.21 4.03 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 18 N 8.31 4.68 0.00 2.92 2.90 0.00 0.00 7.25 6.97 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 19 Q 8.38 3.44 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 20 T 7.73 4.01 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 1.13 0.00 0.00 21 E 8.72 4.46 0.00 1.81 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 2.29 2.23 0.00 22 V 8.38 4.21 1.46 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 0.70 0.00 0.00 0.84 0.00 0.00 23 T 8.84 4.72 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 0.89 0.00 0.00 24 V 8.49 4.46 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.90 0.00 0.00 25 F 9.06 4.99 0.00 2.79 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.11 4.91 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 27 L 8.88 4.09 0.00 1.75 1.82 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.30 4.60 0.00 2.88 2.99 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.60 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.67 4.53 0.00 2.98 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 31 Q 6.82 4.43 0.00 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 32 M 8.17 4.40 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 33 K 8.50 4.60 0.00 1.69 1.61 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.37 7.81 34 G 8.48 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.12 4.90 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 1.03 0.00 0.00 0.97 0.00 0.00 36 I 8.31 4.39 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 1.08 0.00 0.00 37 E 8.88 4.30 0.00 1.93 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 0.00 2.36 2.29 0.00 38 E 7.83 4.65 0.00 2.02 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 2.25 2.27 0.00 39 Y 7.37 5.04 0.00 3.32 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 40 D 8.72 4.98 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 41 K 8.83 4.14 0.00 1.60 1.58 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 42 Y 9.14 4.82 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 43 V 7.94 5.22 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 0.64 0.00 0.00 1.03 0.00 0.00 44 V 8.92 4.94 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 1.11 0.00 0.00 1.13 0.00 0.00 45 S 9.47 5.23 0.00 3.92 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 46 L 9.19 5.40 0.00 1.81 1.55 1.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.84 5.59 0.00 2.69 2.69 0.00 0.00 6.70 7.33 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 48 S 9.02 4.76 0.00 3.90 3.71 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 49 Q 9.83 3.15 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.19 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 50 G 8.55 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 51 K 7.80 4.61 0.00 1.93 1.47 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.35 7.81 52 Q 8.33 5.03 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 53 H 9.36 4.91 0.00 3.16 3.22 0.00 5.83 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 54 L 8.73 5.00 0.00 1.58 1.49 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.76 4.64 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.07 0.00 0.00 56 Y 8.49 4.77 0.00 2.90 2.46 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 57 K 9.24 4.06 0.00 2.03 1.96 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.63 1.53 7.81 58 H 8.42 4.34 0.00 3.25 3.52 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.25 4.69 1.63 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 0.00 0.00 60 I 7.52 4.30 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.65 0.27 0.00 0.00 61 S 8.92 4.57 0.00 3.79 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 62 T 7.42 4.64 4.08 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 0.00 0.00 0.00 1.16 0.00 0.00 63 Y 8.58 5.14 0.00 2.93 2.82 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 64 T 9.44 4.82 4.44 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 0.00 0.00 1.22 0.00 0.00 65 V 8.17 4.68 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 0.23 0.00 0.00 0.96 0.00 0.00 66 E 8.73 4.12 0.00 1.92 1.86 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 0.00 2.31 2.36 0.00