NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8578 8.3093 122.8266 57.2033 40.5398 174.5954 2 P 3.9868 0.0000 0.0000 61.7622 31.8592 174.6690 3 R 3.9153 9.0148 121.9697 55.2610 31.3947 176.1342 4 P 4.2587 0.0000 0.0000 62.2254 32.1207 177.5599 5 R 3.9219 8.7059 122.5601 59.6296 30.5440 178.6458 6 I 3.7940 7.8578 118.3453 64.5673 37.0647 178.8188 7 C 4.5565 8.1667 116.9690 59.9522 35.5729 176.1072 8 N 4.2711 7.8907 118.0621 56.1458 38.1131 177.1672 9 L 3.8806 7.8625 121.0128 58.0055 42.2545 178.5185 10 A 3.6945 8.4115 120.9935 55.3944 18.1476 178.9615 11 C 4.1959 8.2632 114.9472 60.0426 40.0403 176.3609 12 R 3.8282 7.6525 118.7472 59.4637 29.8783 178.1785 13 A 4.1943 8.0206 118.2403 52.5742 18.4303 178.1286 14 G 3.8108 7.3922 105.3481 46.3557 0.0000 173.8811 15 I 4.2848 7.7269 111.7334 60.3776 38.0259 177.9659 16 G 3.9809 7.9390 112.4332 46.9381 0.0000 176.0544 17 H 4.1868 8.1237 118.0669 57.8857 30.2290 175.9368 18 K 4.0938 8.0040 119.5647 58.5943 32.6204 175.8015 19 Y 4.0712 8.1027 117.9983 55.6995 37.7676 174.1913 20 P 4.1758 0.0000 0.0000 65.5038 31.4752 178.4114 21 F 4.4923 7.1494 110.6805 59.0044 38.7656 175.8484 22 C 5.1718 7.7819 119.2302 56.3535 40.8990 175.0402 23 H 5.2306 7.7589 113.9620 55.2710 26.7606 175.0319 24 C 4.6461 7.4262 121.1857 55.8827 41.4466 173.1910 25 R 4.1117 8.5112 114.7870 56.8412 28.9001 176.1749 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 F 8.31 4.86 0.00 2.93 3.09 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 0.00 0.00 0.00 2 P 0.00 3.99 0.00 2.04 1.86 0.00 3.30 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.86 0.00 3 R 9.01 3.92 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 4 P 0.00 4.26 0.00 2.22 1.95 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.06 0.00 5 R 8.71 3.92 0.00 1.81 1.92 0.00 3.17 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 6 I 7.86 3.79 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.75 1.21 0.00 0.00 7 C 8.17 4.56 0.00 3.24 3.18 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 0.00 0.00 0.00 0.00 8 N 7.89 4.27 0.00 2.89 2.84 0.00 0.00 6.63 8.06 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 9 L 7.86 3.88 0.00 1.74 1.82 0.90 0.98 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 10 A 8.41 3.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 4.20 0.00 3.12 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 3.83 0.00 1.81 2.09 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 13 A 8.02 4.19 1.27 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 0.00 0.00 14 G 7.39 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.73 4.28 1.76 0.00 0.00 0.41 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 0.19 0.88 0.00 0.00 16 G 7.94 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 0.00 0.00 0.00 17 H 8.12 4.19 0.00 3.15 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.00 4.09 0.00 1.83 2.22 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.70 7.81 19 Y 8.10 4.07 0.00 2.87 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.18 0.00 1.91 2.06 0.00 3.06 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 1.88 1.97 0.00 21 F 7.15 4.49 0.00 3.17 3.27 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 22 C 7.78 5.17 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.76 5.23 0.00 3.22 3.32 0.00 5.12 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.43 4.65 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.11 0.00 2.03 2.04 0.00 3.04 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00