NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3796 8.3044 120.3283 54.5465 33.4300 174.0881 2 K 3.7351 8.4705 121.0637 56.6380 32.0901 175.2784 3 R 4.4328 8.4700 126.0393 55.0868 32.7404 176.0343 4 T 3.9140 8.4968 112.8071 65.0192 67.3484 174.1114 5 W 4.6996 8.1725 131.7040 57.2353 30.9319 175.9541 6 Q 4.2331 7.2953 125.5017 52.7624 28.4981 172.1439 7 P 3.1802 0.0000 0.0000 62.0308 32.1412 177.2802 8 N 4.4870 8.3624 120.5815 51.4898 40.4872 174.5339 9 R 3.9359 8.6303 128.0024 59.4390 30.2050 178.4898 10 R 3.8220 7.9395 117.3508 59.3103 30.1948 177.8119 11 K 3.7643 8.1064 118.9338 59.8154 31.9358 178.1774 12 R 3.9780 8.2790 118.4964 59.3739 29.9990 178.3253 13 A 4.0114 8.0547 120.4231 55.3217 18.2589 179.7340 14 K 3.8979 8.0634 115.7108 59.6449 32.0948 179.3876 15 T 4.1160 7.7627 115.0263 65.9810 68.9358 175.6281 16 H 4.7998 8.0663 114.4297 55.0858 29.8318 175.5665 17 G 3.9945 7.9433 109.9567 45.5721 0.0000 174.4949 18 F 4.0949 9.0078 122.0171 61.3326 39.1336 177.8366 19 R 3.8914 8.1242 115.9510 58.9950 30.2555 178.4822 20 A 4.0855 7.8804 120.0553 55.3222 18.5369 179.4342 21 R 3.8184 8.1272 116.9039 60.0470 29.9210 179.2057 22 M 3.9647 7.3709 116.4774 57.9856 31.8391 178.3554 23 R 3.9596 7.5865 117.7649 59.3741 30.7712 177.7167 24 T 4.1149 7.5615 112.3038 61.1569 69.6135 173.3716 25 P 4.4320 0.0000 0.0000 65.4064 31.4892 179.2265 26 G 3.6241 7.9104 106.3507 47.7081 0.0000 175.8070 27 G 4.2028 7.9629 109.6911 46.8633 0.0000 175.4063 28 R 3.8880 7.8136 120.4845 59.1928 30.1729 179.2740 29 K 3.9271 7.9289 117.5271 59.3038 31.9395 179.2261 30 V 3.5430 7.6454 118.5628 66.2444 31.4098 177.8169 31 L 4.0237 7.8255 117.9903 57.8733 41.5662 179.5406 32 K 3.9097 8.2278 119.4461 59.5794 32.0930 179.0212 33 R 3.9073 8.4579 118.4119 59.3677 30.0937 179.0718 34 R 3.9428 8.3723 118.1374 59.4305 29.8929 179.2904 35 R 3.9421 8.3488 116.4510 59.5172 30.2365 178.5162 36 Q 4.0993 7.9290 117.7062 59.2400 29.0223 178.1443 37 K 4.1861 8.3342 120.2239 57.2815 32.2724 177.3153 38 G 4.0137 7.9797 106.6566 45.6337 0.0000 173.8918 39 R 4.1672 7.8412 117.1774 55.7505 30.6426 177.2011 40 W 4.6292 8.6186 119.8775 58.2453 28.3907 176.7964 41 R 4.6321 7.8543 117.1061 54.2652 31.8362 175.9631 42 L 4.1690 8.6734 123.1368 56.6461 42.2191 177.1255 43 T 4.8210 7.1981 113.5558 60.6579 72.5835 171.9327 44 P 4.2541 0.0000 0.0000 62.7812 31.8640 176.2805 45 A 4.2519 8.4773 125.7933 52.0085 19.0417 176.9690 46 V 4.5305 7.9098 120.8763 61.8422 34.5518 173.5589 47 R 4.2386 8.3724 120.7699 56.4335 29.4953 174.9250 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 M 8.30 4.38 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.47 3.74 0.00 1.79 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.47 4.43 0.00 1.90 1.94 0.00 3.46 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 4 T 8.50 3.91 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 1.27 0.00 0.00 5 W 8.17 4.70 0.00 3.32 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 6 Q 7.30 4.23 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.44 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 7 P 0.00 3.18 0.00 2.10 2.07 0.00 3.46 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 8 N 8.36 4.49 0.00 2.62 2.56 0.00 0.00 7.18 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 9 R 8.63 3.94 0.00 1.89 2.02 0.00 3.20 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 1.77 1.73 0.00 10 R 7.94 3.82 0.00 1.87 1.91 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 11 K 8.11 3.76 0.00 1.96 2.01 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.57 7.81 12 R 8.28 3.98 0.00 2.02 2.15 0.00 3.48 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 13 A 8.05 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.90 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.67 7.81 15 T 7.76 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 16 H 8.07 4.80 0.00 3.18 3.35 0.00 5.68 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 17 G 7.94 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 18 F 9.01 4.09 0.00 3.16 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 19 R 8.12 3.89 0.00 1.87 2.00 0.00 3.33 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 20 A 7.88 4.09 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 21 R 8.13 3.82 0.00 1.76 1.90 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 22 M 7.37 3.96 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 23 R 7.59 3.96 0.00 1.79 1.96 0.00 3.14 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 24 T 7.56 4.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 25 P 0.00 4.43 0.00 2.29 2.28 0.00 3.74 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 2.06 2.02 0.00 26 G 7.91 3.62 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 0.00 0.00 0.00 27 G 7.96 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 28 R 7.81 3.89 0.00 2.07 1.98 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 29 K 7.93 3.93 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.59 7.81 30 V 7.65 3.54 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 31 L 7.83 4.02 0.00 1.95 1.79 0.70 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.23 3.91 0.00 1.82 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 R 8.46 3.91 0.00 2.00 1.97 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 34 R 8.37 3.94 0.00 1.85 2.04 0.00 3.17 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 1.67 1.71 0.00 35 R 8.35 3.94 0.00 1.95 2.03 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 36 Q 7.93 4.10 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 37 K 8.33 4.19 0.00 1.85 1.99 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.45 7.81 38 G 7.98 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 39 R 7.84 4.17 0.00 1.88 2.05 0.00 3.35 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 40 W 8.62 4.63 0.00 3.20 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.63 0.00 1.87 2.09 0.00 3.16 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 42 L 8.67 4.17 0.00 1.77 1.86 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.20 4.82 4.37 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 1.31 0.00 0.00 44 P 0.00 4.25 0.00 2.11 2.03 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 45 A 8.48 4.25 1.27 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 0.00 0.00 46 V 7.91 4.53 2.14 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 0.82 0.00 0.00 1.02 0.00 0.00 47 R 8.37 4.24 0.00 1.91 1.83 0.00 3.14 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00