NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3524 8.3049 120.3413 55.1473 33.4421 174.6951 2 K 4.0439 8.3255 125.6339 56.2383 33.3784 176.5157 3 G 3.9360 8.5707 111.0459 46.2183 0.0000 175.1550 4 M 3.5835 7.5252 119.7901 58.6581 32.8557 178.4889 5 S 4.0416 7.8960 112.7708 61.2671 63.0238 175.5960 6 K 4.4540 7.9278 117.9920 56.0183 31.9190 176.5018 7 M 4.4334 8.0568 119.3165 53.4009 33.1110 174.4873 8 P 4.3367 0.0000 0.0000 62.8739 31.9118 176.8637 9 Q 4.5032 8.2019 121.7425 54.8356 30.6110 174.5969 10 F 4.4065 7.9332 116.3608 57.8061 41.9067 172.4522 11 N 4.6960 7.6271 125.2088 51.0222 39.7649 174.5151 12 L 3.8878 8.2001 124.1970 54.4786 42.1231 177.1251 13 R 4.4692 8.5220 122.5782 54.3379 30.6205 174.9169 14 W 5.3006 8.2562 121.3154 53.3337 33.2729 174.3522 15 P 4.5594 0.0000 0.0000 62.2602 32.4358 177.4219 16 R 3.9574 8.7842 120.9633 59.8223 30.0904 178.9445 17 E 3.9488 8.1202 117.3466 59.7512 29.5779 179.4803 18 V 3.5566 7.9265 117.2588 66.3763 31.4081 177.5528 19 L 4.1631 8.3536 119.9018 58.4884 41.9159 178.7174 20 D 4.4516 9.3104 119.6030 56.6025 40.7534 178.2360 21 L 3.9315 8.3394 121.6177 58.2998 41.7859 178.9821 22 V 3.6327 7.8653 117.8747 66.3081 31.3427 178.0591 23 R 4.0096 7.8064 117.4253 59.2219 29.8326 178.7117 24 K 3.8727 8.1424 119.1505 59.5838 32.2238 178.5844 25 V 3.5653 8.0151 118.1496 66.2960 31.2527 177.8811 26 A 4.0294 9.1309 121.0363 55.2476 18.0909 179.4106 27 E 3.9249 8.4704 117.4626 59.6147 29.3095 179.2618 28 E 4.0741 8.3377 118.7073 58.5310 29.8072 177.5748 29 N 4.8219 8.1158 113.8945 52.4000 39.2000 175.5928 30 G 3.8842 7.7874 107.1833 45.8494 0.0000 173.3673 31 R 4.7112 7.3839 117.0712 53.1195 33.5271 176.2565 32 S 4.3830 8.2101 114.3084 58.1330 65.0710 175.4062 33 V 3.5492 8.2247 121.6399 66.2357 31.4040 177.4960 34 N 4.2579 8.1771 116.2650 56.8491 38.6165 176.6500 35 S 4.3461 7.9149 115.8014 60.8349 63.0281 175.9789 36 E 3.9426 8.3497 122.3680 59.4255 29.4256 178.7384 37 I 3.7361 7.8941 119.5749 64.8394 37.2029 177.7357 38 Y 4.1130 7.9323 119.5944 60.6588 38.4623 178.0068 39 Q 3.8316 8.4915 120.7562 59.2620 29.1544 178.4559 40 R 3.8152 8.2070 119.3589 59.1187 30.1052 179.0389 41 V 3.1915 8.1038 118.1968 66.2078 31.4418 177.5306 42 M 3.6840 7.5576 118.4144 58.5324 31.8044 177.9928 43 E 3.8330 8.1005 119.3430 59.6304 29.7588 178.8248 44 S 4.0575 8.0587 114.0358 61.9651 62.4472 176.7136 45 F 4.6188 7.7723 121.1782 59.9216 38.3917 177.4846 46 K 3.9743 8.3788 117.7971 59.8465 32.2535 178.8724 47 K 4.2071 8.0829 118.1986 59.4222 31.7115 178.8979 48 E 4.1673 8.0411 114.6342 55.4727 30.2063 177.5724 49 G 3.9266 7.6201 107.0800 46.7260 0.0000 172.4865 50 R 4.1349 7.0291 116.5140 56.0998 32.2475 176.0479 51 I 3.4816 8.1871 109.5005 62.0308 37.9849 180.4559 52 G 3.0316 8.5216 104.9019 42.0374 0.0000 174.8833 53 A 4.0151 7.4384 131.4325 51.8642 19.1990 177.7398 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 4.35 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 2 K 8.33 4.04 0.00 1.88 1.68 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.43 7.81 3 G 8.57 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.53 3.58 0.00 1.99 2.08 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 2.53 2.49 0.00 5 S 7.90 4.04 0.00 4.00 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 6 K 7.93 4.45 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.38 7.81 7 M 8.06 4.43 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 8 P 0.00 4.34 0.00 2.07 2.01 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 9 Q 8.20 4.50 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 10 F 7.93 4.41 0.00 2.92 2.88 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 11 N 7.63 4.70 0.00 2.44 2.55 0.00 0.00 7.08 7.85 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 12 L 8.20 3.89 0.00 1.15 0.76 0.88 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.52 4.47 0.00 1.81 1.95 0.00 3.07 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 14 W 8.26 5.30 0.00 3.22 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 15 P 0.00 4.56 0.00 2.10 1.98 0.00 3.87 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 2.06 2.03 0.00 16 R 8.78 3.96 0.00 1.88 2.17 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 17 E 8.12 3.95 0.00 2.01 2.04 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 2.42 2.43 0.00 18 V 7.93 3.56 2.36 0.00 0.00 0.00 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 0.87 0.00 0.00 19 L 8.35 4.16 0.00 2.10 1.78 1.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.31 4.45 0.00 2.58 2.71 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 21 L 8.34 3.93 0.00 1.89 1.81 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.87 3.63 2.18 0.00 0.00 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 1.16 0.00 0.00 23 R 7.81 4.01 0.00 2.03 1.99 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 24 K 8.14 3.87 0.00 1.95 1.98 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 V 8.02 3.57 2.24 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 0.97 0.00 0.00 0.98 0.00 0.00 26 A 9.13 4.03 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 27 E 8.47 3.92 0.00 2.27 2.02 0.00 0.00 0.00 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 2.47 0.00 28 E 8.34 4.07 0.00 2.05 2.19 0.00 0.00 0.00 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 2.35 0.00 29 N 8.12 4.82 0.00 2.76 2.84 0.00 0.00 7.12 7.81 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 30 G 7.79 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 31 R 7.38 4.71 0.00 1.74 1.83 0.00 3.47 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 32 S 8.21 4.38 0.00 4.03 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 33 V 8.22 3.55 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 34 N 8.18 4.26 0.00 2.84 2.78 0.00 0.00 7.20 7.14 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 35 S 7.91 4.35 0.00 4.06 3.93 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 0.00 0.00 0.00 36 E 8.35 3.94 0.00 2.09 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 2.34 2.44 0.00 37 I 7.89 3.74 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.98 0.00 0.00 38 Y 7.93 4.11 0.00 3.07 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 39 Q 8.49 3.83 0.00 2.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 40 R 8.21 3.82 0.00 1.99 1.92 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 41 V 8.10 3.19 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.90 0.00 0.00 42 M 7.56 3.68 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.53 0.00 43 E 8.10 3.83 0.00 2.18 1.90 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 2.28 2.31 0.00 44 S 8.06 4.06 0.00 3.97 3.98 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 45 F 7.77 4.62 0.00 3.19 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 3.97 0.00 1.86 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.65 7.81 47 K 8.08 4.21 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 48 E 8.04 4.17 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 49 G 7.62 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.03 4.13 0.00 1.62 1.64 0.00 3.13 0.00 0.00 3.13 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.39 0.00 51 I 8.19 3.48 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.99 0.00 0.00 52 G 8.52 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 0.00 0.00 0.00 53 A 7.44 4.02 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