NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4257 8.6698 119.6216 56.3684 30.5525 174.2742 2 S 4.5730 7.2767 115.4831 54.2005 65.8354 173.5223 3 P 4.2779 0.0000 0.0000 65.8040 31.8710 179.6040 4 E 3.9625 8.1651 117.0657 59.2859 29.4942 178.8412 5 Q 3.9860 7.8138 118.8578 58.8907 28.6454 179.1380 6 R 3.9893 7.7783 118.7846 59.3510 30.1072 178.9645 7 A 3.9975 7.9705 119.9188 55.6824 18.3247 179.1391 8 T 3.9367 8.1181 114.3005 66.9693 68.5484 176.5964 9 R 3.9083 8.2376 120.2025 59.5118 30.2095 178.8971 10 L 4.0104 8.2639 119.1064 57.7000 41.5509 179.6750 11 K 4.0082 8.7905 119.2462 59.4735 32.0264 179.5530 12 R 4.1853 8.2855 120.0937 58.9535 29.9571 178.8320 13 M 4.0999 8.1743 118.0798 58.4789 32.2242 178.4217 14 S 4.1181 8.2247 114.6467 61.5278 62.8428 175.9939 15 E 3.9547 8.9439 122.9861 59.0515 28.9773 178.5483 16 Y 4.0353 8.2072 119.9411 60.3734 38.8880 177.5851 17 A 3.9540 8.3271 121.5687 55.5177 18.4257 178.9661 18 A 4.0658 8.6621 119.3822 55.0454 18.0776 179.3485 19 K 3.7069 8.2849 116.7335 59.7414 32.1009 179.3879 20 R 3.7835 7.7968 116.7409 59.3429 30.0911 178.6462 21 L 4.0680 8.3152 118.1804 58.3372 41.5883 179.3177 22 S 4.1772 8.0489 114.7304 61.4654 62.8508 174.5164 23 S 4.2665 7.7553 119.3546 58.7183 62.6296 174.0742 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 E 8.67 4.43 0.00 1.95 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 2.21 2.33 0.00 2 S 7.28 4.57 0.00 4.07 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 3 P 0.00 4.28 0.00 2.28 2.35 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 4 E 8.17 3.96 0.00 2.21 2.25 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 2.36 2.40 0.00 5 Q 7.81 3.99 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 6 R 7.78 3.99 0.00 1.97 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 7 A 7.97 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 3.94 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 R 8.24 3.91 0.00 1.88 1.92 0.00 3.08 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 10 L 8.26 4.01 0.00 1.96 1.70 0.92 0.89 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 11 K 8.79 4.01 0.00 2.04 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 12 R 8.29 4.19 0.00 2.04 1.95 0.00 3.11 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.49 0.00 13 M 8.17 4.10 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 14 S 8.22 4.12 0.00 4.12 4.27 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 15 E 8.94 3.95 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 16 Y 8.21 4.04 0.00 3.27 3.16 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 17 A 8.33 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.07 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.28 3.71 0.00 2.00 1.71 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.48 7.81 20 R 7.80 3.78 0.00 1.70 1.80 0.00 3.10 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.00 21 L 8.32 4.07 0.00 1.79 1.73 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.05 4.18 0.00 4.04 3.85 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 0.00 0.00 0.00 23 S 7.76 4.27 0.00 3.99 3.83 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 0.00 0.00 0.00 0.00