NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9935 8.2127 109.7441 45.5552 0.0000 173.7259 2 I 3.1328 7.9362 117.9470 62.7422 38.0636 173.4061 3 V 3.7094 7.8239 118.9311 64.2010 32.6783 176.1787 4 E 4.2045 7.7455 118.8709 58.2266 30.0109 177.3528 5 Q 4.2352 7.8458 117.5598 58.6502 29.2226 178.2761 6 C 4.3915 8.3878 115.2566 57.7690 40.6465 173.8906 7 C 4.4984 7.7296 118.7448 60.8861 32.5312 175.0361 8 K 4.1626 7.6320 117.0766 58.3931 31.8979 176.3545 9 S 4.7684 7.3715 112.6908 56.9673 66.5346 172.5857 10 I 4.5258 8.2080 120.4807 60.1839 39.1135 175.7596 11 C 4.9515 8.5115 121.3423 54.9908 40.7465 174.9514 12 S 4.4280 8.3668 119.6443 57.3401 65.1018 174.7377 13 L 3.6508 8.0126 122.5166 58.3953 41.6335 177.9951 14 Y 4.4269 7.2004 116.0460 60.9045 37.9686 177.3985 15 Q 4.3495 7.6555 116.5215 57.6450 29.0936 177.3216 16 L 4.6738 7.4977 121.0926 56.8408 42.8328 177.8819 17 E 4.1748 7.9614 118.0987 58.6831 29.1757 178.3511 18 N 4.4762 8.0680 114.9701 54.9288 38.6774 174.8306 19 Y 4.5383 7.4115 116.9603 57.8970 38.2672 175.3781 20 C 4.5403 7.6721 118.9771 58.9655 29.5932 173.5581 21 N 4.5499 8.4905 116.8660 53.7395 38.3311 175.5033 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 G 8.21 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 0.00 0.00 0.00 2 I 7.94 3.13 0.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.99 0.64 0.00 0.00 3 V 7.82 3.71 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 0.87 0.00 0.00 0.86 0.00 0.00 4 E 7.75 4.20 0.00 1.93 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 2.29 2.40 0.00 5 Q 7.85 4.24 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 6 C 8.39 4.39 0.00 2.95 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.73 4.50 0.00 2.86 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.16 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.40 7.81 9 S 7.37 4.77 0.00 4.16 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.21 4.53 1.88 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 1.41 0.58 0.91 0.00 0.00 11 C 8.51 4.95 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.43 0.00 4.00 4.03 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 13 L 8.01 3.65 0.00 1.32 0.96 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.20 4.43 0.00 3.09 2.94 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 Q 7.66 4.35 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 16 L 7.50 4.67 0.00 2.02 1.84 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.96 4.17 0.00 2.24 2.03 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 2.36 2.56 0.00 18 N 8.07 4.48 0.00 2.26 2.51 0.00 0.00 6.87 7.46 0.00 0.00 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 Y 7.41 4.54 0.00 3.24 2.95 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 0.00 0.00 0.00 20 C 7.67 4.54 0.00 3.06 2.91 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 0.00 0.00 0.00 21 N 8.49 4.55 0.00 2.72 2.73 0.00 0.00 6.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00