NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2400 8.2544 119.7071 56.4462 31.6494 175.1768 2 M 4.1817 8.0533 117.4559 54.3378 34.2014 174.0649 3 K 3.8590 8.6509 127.4656 57.3115 30.4924 174.6884 4 K 4.4216 7.4065 110.4954 55.3608 34.7923 177.5958 5 K 3.2758 8.9439 119.8707 58.0135 32.1945 168.5479 6 D 4.4330 8.7304 125.2893 53.6459 41.9050 172.6155 7 E 5.0343 8.5861 124.8375 54.7176 33.9740 175.2361 8 G 3.9221 8.3080 108.7663 45.6356 0.0000 176.5643 9 S 4.3601 9.2036 118.7229 59.6905 65.8172 172.6812 10 Y 3.4724 8.5754 119.1621 60.9990 38.2125 168.3159 11 D 4.3319 8.5305 119.5568 52.3636 47.3800 179.2051 12 L 3.2240 7.7103 120.9715 55.9524 40.7607 172.3361 13 G 3.9561 7.3426 102.6214 45.3668 0.0000 173.9978 14 K 4.1133 7.3989 128.1378 55.0460 38.9356 176.2235 15 K 4.4878 8.7287 113.3361 53.6137 36.1897 174.3275 16 P 4.3389 0.0000 0.0000 62.7033 30.7691 175.9863 17 I 4.3128 7.8446 125.2744 61.1277 39.3607 175.7583 18 Y 4.7557 7.6140 114.3767 57.4672 39.8757 172.6424 19 K 4.6086 8.0093 122.3004 53.5781 36.1444 175.3583 20 K 4.5682 8.0181 125.5912 56.4696 35.0563 174.1938 21 A 4.3653 7.9469 123.4069 50.7080 21.7394 175.0583 22 P 4.6207 0.0000 0.0000 64.1581 33.1589 176.5112 23 T 4.5191 7.9344 105.9251 62.9101 70.7800 171.6608 24 N 4.8662 7.8904 120.1305 52.3406 42.2650 173.3621 25 E 4.6884 8.5431 123.3977 55.2811 31.1254 176.4048 26 F 4.7280 8.9549 117.6184 56.7155 38.3041 175.0786 27 Y 4.6370 7.3254 119.5925 56.6339 42.0528 173.9908 28 A 3.8710 8.3378 127.8522 52.3680 18.4358 177.2169 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 R 8.25 4.24 0.00 1.82 2.02 0.00 3.15 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 2 M 8.05 4.18 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 3 K 8.65 3.86 0.00 1.87 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.40 7.81 4 K 7.41 4.42 0.00 1.77 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.47 7.81 5 K 8.94 3.28 0.00 1.84 1.81 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.40 7.81 6 D 8.73 4.43 0.00 2.85 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 7 E 8.59 5.03 0.00 2.08 1.93 0.00 0.00 0.00 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 2.21 0.00 8 G 8.31 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.20 4.36 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.58 3.47 0.00 3.09 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 11 D 8.53 4.33 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.22 0.00 1.50 1.49 -0.32 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.34 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.40 4.11 0.00 1.64 1.49 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.35 7.81 15 K 8.73 4.49 0.00 1.72 1.64 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.37 7.81 16 P 0.00 4.34 0.00 2.16 2.09 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 17 I 7.84 4.31 1.92 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 1.32 0.58 0.95 0.00 0.00 18 Y 7.61 4.76 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.01 4.61 0.00 1.67 1.58 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.45 7.81 20 K 8.02 4.57 0.00 1.65 1.62 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.13 1.09 7.81 21 A 7.95 4.37 1.16 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 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.62 0.00 2.20 2.11 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 23 T 7.93 4.52 4.24 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 1.22 0.00 0.00 24 N 7.89 4.87 0.00 2.63 2.66 0.00 0.00 7.33 7.67 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 25 E 8.54 4.69 0.00 2.01 1.93 0.00 0.00 0.00 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 2.42 0.00 26 F 8.95 4.73 0.00 3.25 3.14 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 27 Y 7.33 4.64 0.00 2.16 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 3.87 1.05 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 0.00 0.00