NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 5.0904 8.2016 120.2554 56.1093 32.2143 175.7638 2 M 4.3500 7.7851 115.5359 56.5573 33.9400 175.5069 3 K 4.0490 7.8053 119.8032 58.9700 32.8792 178.3226 4 Q 3.9539 7.9344 117.8323 59.1000 28.6710 178.1079 5 L 3.8919 7.8138 122.0904 57.8430 41.8990 178.4920 6 E 3.9793 8.0998 118.4797 59.7215 29.1121 179.2213 7 D 4.4019 8.5190 119.0774 56.8988 40.9681 178.9550 8 K 4.0234 7.9349 119.3045 59.2106 32.2385 179.4234 9 V 3.6478 8.4353 118.7232 65.7587 31.2778 177.7025 10 E 3.9602 7.8260 118.9171 58.7884 29.4202 177.9491 11 E 3.8961 7.7695 119.2118 59.4668 29.7011 178.8064 12 L 3.9991 7.7631 118.3298 57.9508 41.4845 179.6455 13 L 4.0364 7.8675 118.8485 57.6497 41.3545 179.6093 14 S 4.1539 8.5872 113.4832 61.5040 62.3838 176.4443 15 K 4.0482 8.4199 121.6077 59.2742 31.7302 179.0340 16 Q 3.9716 8.2705 120.0336 59.3937 28.9528 177.9810 17 Y 4.0640 7.8237 120.2281 60.9417 38.8687 177.4080 18 H 3.8960 8.0834 119.0569 59.3776 30.0279 177.1359 19 L 3.9681 8.1392 120.8266 57.9711 41.4323 179.4895 20 E 4.0049 8.1929 118.4374 59.0815 29.1830 179.2087 21 N 4.1540 7.6128 116.3484 56.2225 38.6496 177.1250 22 E 3.8736 8.0467 120.0104 59.5705 29.6240 179.7463 23 V 3.6054 7.8099 117.8967 65.6523 31.4501 177.8683 24 A 3.9646 7.9905 120.7097 55.0625 18.1741 179.5987 25 R 3.7903 7.7105 117.2149 59.6865 30.0973 178.5200 26 L 4.1308 7.5877 117.4969 57.8652 41.8498 179.8201 27 K 4.1115 7.9524 118.0899 59.5473 32.0803 179.5772 28 K 4.0142 7.7709 118.8003 59.3566 31.7704 179.1783 29 L 4.2060 8.4285 117.9103 56.2809 41.6195 178.2435 30 V 4.2965 7.7669 116.1693 62.1574 32.6927 174.2325 31 G 4.2097 8.1140 105.4482 46.3133 0.0000 173.5086 32 E 4.0891 8.0084 121.9868 56.7646 29.4513 176.9516 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 8.20 5.09 0.00 1.79 2.01 0.00 2.97 0.00 0.00 3.88 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 2 M 7.79 4.35 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 3 K 7.81 4.05 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.34 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.68 7.81 4 Q 7.93 3.95 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 5 L 7.81 3.89 0.00 1.78 1.87 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.10 3.98 0.00 2.12 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 2.33 2.52 0.00 7 D 8.52 4.40 0.00 2.72 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 8 K 7.93 4.02 0.00 2.04 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 V 8.44 3.65 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 1.00 0.00 0.00 0.99 0.00 0.00 10 E 7.83 3.96 0.00 2.04 1.91 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 2.29 2.44 0.00 11 E 7.77 3.90 0.00 2.07 1.94 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 2.32 2.37 0.00 12 L 7.76 4.00 0.00 1.92 1.72 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.87 4.04 0.00 1.94 1.72 0.92 1.02 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 14 S 8.59 4.15 0.00 4.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.42 4.05 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 Q 8.27 3.97 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 17 Y 7.82 4.06 0.00 3.06 3.19 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 0.00 0.00 0.00 18 H 8.08 3.90 0.00 3.29 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.14 3.97 0.00 1.73 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.19 4.00 0.00 1.94 1.94 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 2.31 2.51 0.00 21 N 7.61 4.15 0.00 2.55 2.63 0.00 0.00 6.90 8.33 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 22 E 8.05 3.87 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 23 V 7.81 3.61 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 0.99 0.00 0.00 0.96 0.00 0.00 24 A 7.99 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.79 0.00 1.94 1.89 0.00 3.10 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 L 7.59 4.13 0.00 1.81 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.95 4.11 0.00 2.02 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 28 K 7.77 4.01 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 29 L 8.43 4.21 0.00 1.66 1.72 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.77 4.30 2.20 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 0.85 0.00 0.00 0.93 0.00 0.00 31 G 8.11 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.01 4.09 0.00 1.95 1.92 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 2.32 2.29 0.00