NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2415 8.2649 123.5796 51.1162 18.8188 176.0112 7 P 4.0480 0.0000 0.0000 61.8961 31.5391 175.1287 8 D 4.6497 9.5244 124.2993 51.9349 41.9434 176.7849 9 F 3.7531 8.8842 120.5497 62.2073 39.0880 176.9004 10 H 4.5154 7.8356 113.9111 58.8821 28.2008 177.6772 11 D 4.3125 8.1819 120.4792 57.2962 40.8343 178.6062 12 K 3.9269 7.5581 116.9038 58.7929 33.0962 177.4397 13 Y 4.9031 7.8036 116.4501 57.7732 39.3778 177.4337 14 G 4.0062 8.0319 107.0383 48.6599 0.0000 175.1875 15 N 4.3793 8.2646 118.2721 55.4973 38.6117 177.3550 16 A 3.9692 7.9513 121.5640 55.1543 18.9892 179.2950 17 V 3.5570 8.1134 116.9852 67.0183 31.4284 177.3815 18 L 4.0590 8.6240 120.3001 57.2446 41.8628 178.2849 19 A 4.0095 8.4559 120.0628 55.8045 18.5522 179.5502 20 S 4.1953 8.8015 113.6925 61.7391 62.8558 176.9565 21 G 3.8074 8.1765 107.3067 48.0870 0.0000 175.1246 22 A 4.0873 8.7352 123.5847 55.4556 18.3602 179.7109 23 T 3.9106 8.1700 114.1941 66.5809 68.6869 176.5880 24 F 4.1730 8.6284 122.6074 62.4796 39.1927 176.3493 25 C 4.3389 8.3732 118.7019 61.6643 31.3445 175.4310 26 V 3.6392 8.0326 119.8860 65.6789 30.8823 177.4783 27 A 4.0957 8.2697 121.8901 54.0445 18.1351 179.2312 28 V 3.3806 7.8207 114.4909 65.7546 31.6860 179.0180 29 W 3.9555 8.5525 118.5992 59.6991 29.0501 178.6233 30 V 3.6717 7.9702 118.2757 66.2185 30.9203 177.4570 31 Y 4.0126 8.2825 119.2580 60.7519 38.4202 177.6123 32 M 3.9063 8.0774 117.7156 58.7527 32.5258 177.9804 33 A 4.7384 8.4560 119.6867 54.3047 18.5981 178.1746 34 T 4.4634 7.5831 105.9555 63.6270 70.2158 176.1621 35 Q 4.0922 7.6802 117.2805 55.5324 27.9985 175.1818 36 I 4.5784 7.2190 112.5785 58.7483 40.6771 175.9980 37 G 3.6539 8.5607 108.1062 47.0778 0.0000 173.8891 38 I 3.1573 6.8606 120.4493 61.9527 37.2887 175.0710 39 E 4.3974 8.1781 126.2480 54.2010 29.2579 175.3892 40 W 4.1916 8.7121 126.0836 57.1724 30.1131 175.9964 41 N 4.0836 8.0662 116.6245 53.8017 36.9741 170.5611 42 P 4.5496 0.0000 0.0000 62.3624 32.8129 175.8431 43 S 4.3680 8.3598 113.2106 57.2655 62.9710 172.4896 44 P 4.3683 0.0000 0.0000 65.2036 31.5226 176.9490 45 V 3.6907 7.6820 118.7210 63.1965 31.1977 176.4750 46 G 3.9710 9.0617 112.8260 45.3426 0.0000 172.9159 47 R 4.3247 8.3195 117.1599 57.5637 31.7961 175.7506 48 V 3.9513 7.4490 116.3750 61.7867 32.3134 175.2157 49 T 4.2737 8.3981 118.2228 59.6749 68.9225 172.7698 50 P 4.3913 0.0000 0.0000 62.6098 31.8712 175.7093 51 K 4.5860 8.3309 120.1696 53.9522 34.6970 175.5651 52 E 3.9347 8.9261 123.8052 56.6514 29.6335 176.8074 53 W 4.3672 8.6375 123.2747 57.0498 29.2201 176.2142 54 R 3.7608 7.1800 123.7834 56.2421 31.0279 175.2033 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 A 8.26 4.24 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 7 P 0.00 4.05 0.00 2.04 1.96 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 8 D 9.52 4.65 0.00 2.84 2.80 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 0.00 0.00 0.00 0.00 9 F 8.88 3.75 0.00 3.13 2.99 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 10 H 7.84 4.52 0.00 3.45 3.44 0.00 5.67 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 11 D 8.18 4.31 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 12 K 7.56 3.93 0.00 1.26 1.55 0.00 0.81 0.00 0.00 0.86 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.98 0.21 7.81 13 Y 7.80 4.90 0.00 2.37 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 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 15 N 8.26 4.38 0.00 2.76 2.91 0.00 0.00 6.84 7.34 0.00 0.00 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 A 7.95 3.97 1.37 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 0.00 0.00 17 V 8.11 3.56 2.41 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 1.08 0.00 0.00 1.15 0.00 0.00 18 L 8.62 4.06 0.00 1.89 1.76 0.95 0.99 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 19 A 8.46 4.01 1.38 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 0.00 0.00 0.00 20 S 8.80 4.20 0.00 3.84 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 21 G 8.18 3.81 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 0.00 22 A 8.74 4.09 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 23 T 8.17 3.91 4.50 0.00 0.00 0.00 0.00 0.00 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 24 F 8.63 4.17 0.00 3.11 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 25 C 8.37 4.34 0.00 3.34 3.04 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 26 V 8.03 3.64 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 0.85 0.00 0.00 0.96 0.00 0.00 27 A 8.27 4.10 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 28 V 7.82 3.38 1.70 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 0.75 0.00 0.00 0.10 0.00 0.00 29 W 8.55 3.96 0.00 3.54 3.31 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 0.00 30 V 7.97 3.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 31 Y 8.28 4.01 0.00 3.04 3.03 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 32 M 8.08 3.91 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.46 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.58 4.46 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 1.23 0.00 0.00 35 Q 7.68 4.09 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 36 I 7.22 4.58 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.69 0.00 0.00 37 G 8.56 3.65 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 0.00 0.00 0.00 38 I 6.86 3.16 1.69 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.39 -0.44 0.00 0.00 39 E 8.18 4.40 0.00 1.81 1.79 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 2.18 2.21 0.00 40 W 8.71 4.19 0.00 3.29 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.08 0.00 3.01 2.82 0.00 0.00 7.17 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 42 P 0.00 4.55 0.00 2.24 2.13 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.36 4.37 0.00 3.86 3.81 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 44 P 0.00 4.37 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.68 3.69 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 46 G 9.06 3.97 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 0.00 0.00 0.00 47 R 8.32 4.32 0.00 1.70 2.06 0.00 3.27 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 48 V 7.45 3.95 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 0.90 0.00 0.00 0.94 0.00 0.00 49 T 8.40 4.27 4.26 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 1.22 0.00 0.00 50 P 0.00 4.39 0.00 2.26 2.14 0.00 3.73 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 2.02 2.02 0.00 51 K 8.33 4.59 0.00 1.78 1.77 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 52 E 8.93 3.93 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 53 W 8.64 4.37 0.00 3.73 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 R 7.18 3.76 0.00 1.81 2.00 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00