NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2837 8.2549 120.8598 56.6427 32.2450 177.3605 2 M 3.9905 7.8847 117.6210 57.1803 32.0416 176.4872 3 K 4.0674 8.7850 121.6766 59.2916 32.7586 178.3995 4 Q 4.0735 8.0540 117.1760 58.8191 28.5537 178.5581 5 I 3.8635 7.7435 121.0524 64.0220 37.1031 178.0668 6 E 4.0941 7.9895 119.0607 59.0455 29.4709 178.6217 7 D 4.5132 8.1277 119.1770 56.7799 40.8108 178.8595 8 K 3.9664 8.1168 119.2241 59.6568 32.1181 179.4318 9 I 3.7116 7.6030 119.6608 64.1804 36.9285 178.3748 10 E 3.9345 8.0218 119.2510 59.4081 29.2983 179.0027 11 E 3.9158 7.9405 117.9325 59.5951 29.5873 179.2715 12 I 3.6787 7.9395 119.7594 64.7810 37.3712 178.2631 13 E 3.9643 8.7119 119.3416 59.4299 29.1146 179.4443 14 S 4.0777 8.4529 113.5432 61.3764 62.5188 176.2437 15 K 3.9927 8.5149 122.6827 59.3266 31.9077 178.6091 16 Q 4.0206 8.2063 120.1810 58.7451 28.8669 178.2771 17 K 4.3875 7.9095 120.6883 58.6639 32.1030 178.9503 18 K 3.8352 7.7585 119.9478 59.7151 32.0742 178.6053 19 I 3.6942 7.7266 119.7281 64.6664 36.9415 178.3315 20 E 4.0013 8.2382 119.1876 59.4574 29.3667 179.2706 21 N 4.3641 8.4160 116.7543 56.1303 38.6197 177.1272 22 E 3.9452 8.3520 120.8282 59.4160 29.7607 178.9761 23 I 3.7297 7.9890 119.6330 64.0883 37.2036 178.3106 24 A 3.9881 7.9211 121.5245 55.3881 18.2923 180.0122 25 R 3.9474 7.9192 116.1274 59.2731 30.0706 179.4326 26 I 3.7991 7.8372 119.9459 64.1284 37.0632 178.5830 27 K 4.0114 8.2158 119.5370 59.2813 31.8998 179.4001 28 K 3.9641 7.9948 119.6251 59.3075 32.2116 178.6276 29 L 3.9709 8.0727 120.7334 58.0865 42.0714 178.7321 30 L 4.0864 8.0553 120.2701 57.8114 42.1202 178.8831 31 Q 4.0573 7.9911 118.3694 58.9443 28.6897 178.7174 32 L 4.1165 8.1055 120.2782 57.9800 41.6701 179.6452 33 T 4.0811 7.9488 109.0917 64.3211 68.6327 177.0580 34 V 3.5885 7.7925 121.3592 65.5127 31.5862 177.5304 35 W 4.2196 8.2588 127.9627 60.6850 30.6113 178.0692 36 G 3.7131 8.4031 105.4049 47.8122 0.0000 175.6277 37 I 3.6821 7.7615 121.9310 64.3177 37.1287 178.8092 38 K 3.9468 8.1778 119.3926 59.1867 31.6323 179.6499 39 Q 3.5598 8.1437 118.7590 58.9064 28.7221 178.6452 40 L 3.8988 7.7607 119.8088 57.7995 41.3991 179.8134 41 Q 3.9090 7.7089 117.8128 58.8274 28.4352 178.1358 42 A 3.9109 7.3648 120.0651 55.6063 18.4542 179.2498 43 R 3.9315 7.3882 114.8757 59.5539 30.4250 178.6304 44 I 3.6842 7.9918 119.1998 61.4227 36.7449 176.0203 45 L 4.1671 5.8101 129.4681 56.3945 43.4290 173.1780 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 4.28 0.00 1.79 2.03 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 2 M 7.88 3.99 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.79 4.07 0.00 1.86 1.83 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.63 7.81 4 Q 8.05 4.07 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.74 3.86 2.12 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.91 0.00 0.00 6 E 7.99 4.09 0.00 2.16 1.99 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 2.39 2.65 0.00 7 D 8.13 4.51 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 8 K 8.12 3.97 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 9 I 7.60 3.71 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.91 0.00 0.00 10 E 8.02 3.93 0.00 2.15 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 2.33 2.61 0.00 11 E 7.94 3.92 0.00 2.24 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 2.33 2.51 0.00 12 I 7.94 3.68 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.91 0.00 0.00 13 E 8.71 3.96 0.00 2.17 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 2.33 2.46 0.00 14 S 8.45 4.08 0.00 4.04 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 15 K 8.51 3.99 0.00 1.87 1.92 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 Q 8.21 4.02 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 K 7.91 4.39 0.00 2.02 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 18 K 7.76 3.84 0.00 1.81 2.05 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 19 I 7.73 3.69 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.91 0.00 0.00 20 E 8.24 4.00 0.00 2.14 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 2.33 2.70 0.00 21 N 8.42 4.36 0.00 2.86 2.86 0.00 0.00 6.63 7.21 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 22 E 8.35 3.95 0.00 2.18 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 2.31 2.40 0.00 23 I 7.99 3.73 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.91 0.00 0.00 24 A 7.92 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.95 0.00 2.09 1.99 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 I 7.84 3.80 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.08 0.92 0.00 0.00 27 K 8.22 4.01 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 K 7.99 3.96 0.00 1.82 1.79 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.57 7.81 29 L 8.07 3.97 0.00 2.11 1.79 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.06 4.09 0.00 2.04 1.83 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.99 4.06 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 32 L 8.11 4.12 0.00 1.89 1.75 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.95 4.08 4.28 0.00 0.00 0.00 0.00 0.00 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 34 V 7.79 3.59 2.37 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 1.11 0.00 0.00 1.00 0.00 0.00 35 W 8.26 4.22 0.00 3.50 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 37 I 7.76 3.68 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.89 0.00 0.00 38 K 8.18 3.95 0.00 1.76 1.74 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.53 7.81 39 Q 8.14 3.56 0.00 1.36 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.76 3.90 0.00 1.77 1.67 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.71 3.91 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 42 A 7.36 3.91 1.20 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 43 R 7.39 3.93 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 44 I 7.99 3.68 1.98 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 1.38 0.71 0.89 0.00 0.00 45 L 5.81 4.17 0.00 1.49 1.47 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00