NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2059 8.2393 117.2906 57.3944 31.3131 175.9875 2 R 2.8493 8.9178 115.4497 59.4548 30.9961 173.2187 3 W 3.7805 8.4623 110.3475 57.8376 27.0659 174.5364 4 C 4.5128 7.9099 118.9460 57.4215 43.9749 173.5783 5 F 4.8143 7.9163 109.5404 55.4168 37.7913 171.0202 6 R 3.8722 8.4539 122.8505 57.1951 30.8947 176.0773 7 V 3.9874 8.5065 118.4858 61.2302 32.7754 175.0010 8 C 5.3230 8.7771 122.6132 55.1318 42.1800 172.9375 9 Y 4.2307 9.6501 124.1409 58.7825 38.7066 176.0778 10 R 3.7063 8.5951 116.1040 55.2724 28.0470 173.9076 11 G 4.2547 8.4363 116.6488 44.3657 0.0000 171.7353 12 R 5.0420 7.7351 128.8732 57.0173 31.2500 173.0544 13 F 4.0271 8.0653 118.5851 57.9191 39.1195 173.6865 14 C 5.6924 8.6028 121.8673 54.8966 46.6732 171.7943 15 Y 4.7919 9.1440 128.4863 55.6463 41.4774 174.2908 16 R 4.4230 7.4756 121.7504 53.8023 31.0050 176.6872 17 K 4.5109 7.5069 128.0155 54.8833 32.5463 177.0157 18 C 3.9315 8.1825 114.6150 58.6289 40.7857 174.9010 19 R 4.3947 8.8773 122.2950 56.8750 29.8524 176.0227 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 8.24 4.21 0.00 2.02 2.15 0.00 3.21 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 2 R 8.92 2.85 0.00 1.57 1.75 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.18 0.00 3 W 8.46 3.78 0.00 3.78 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 4 C 7.91 4.51 0.00 3.00 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 5 F 7.92 4.81 0.00 3.13 3.03 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 6 R 8.45 3.87 0.00 1.67 1.98 0.00 3.15 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 7 V 8.51 3.99 2.12 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 0.94 0.00 0.00 0.95 0.00 0.00 8 C 8.78 5.32 0.00 2.90 3.08 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 0.00 0.00 0.00 0.00 9 Y 9.65 4.23 0.00 3.20 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 3.71 0.00 2.00 2.01 0.00 3.55 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 11 G 8.44 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.74 5.04 0.00 1.98 2.03 0.00 3.41 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 13 F 8.07 4.03 0.00 3.20 3.39 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 14 C 8.60 5.69 0.00 3.16 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.14 4.79 0.00 3.16 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.48 4.42 0.00 1.64 1.69 0.00 2.94 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.28 0.00 17 K 7.51 4.51 0.00 1.57 1.35 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.58 7.81 18 C 8.18 3.93 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.88 4.39 0.00 1.96 1.90 0.00 3.20 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00