NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.1813 8.3044 120.3341 56.3521 32.1528 174.9254 5002 E 3.5491 8.6084 131.7474 55.6712 29.9249 174.2247 5003 T 4.5309 8.1070 109.5018 63.7340 70.9609 176.1330 5004 I 3.6986 7.5754 122.1292 64.4488 37.0250 178.3891 5005 T 4.0391 7.5917 115.9853 66.7953 68.1344 176.2646 5006 Y 4.4803 6.7976 116.6572 61.2538 38.2336 178.5930 5007 V 3.8147 8.1709 118.7180 65.3010 31.3875 177.5466 5008 F 4.4384 7.9100 119.6674 61.1189 39.2330 177.1534 5009 I 3.4597 8.0734 119.5309 64.3184 37.2303 178.0088 5010 F 4.0992 8.0664 121.2149 61.0256 39.5675 177.0289 5011 A 4.2673 8.2095 119.1268 54.1584 18.1105 178.1483 5012 C 4.2617 7.5679 114.2598 60.5341 29.3964 175.7514 5013 I 3.1920 7.8294 121.7124 63.5263 36.4963 178.2527 5014 I 3.9898 7.4079 120.4106 63.7813 37.1654 177.9760 5015 A 3.7710 7.2738 120.2370 55.1110 18.1036 179.3793 5016 L 4.0339 7.8916 117.5539 57.8098 42.0605 178.9535 5017 F 4.8986 7.4997 116.2853 60.3381 39.3637 177.2760 5018 F 4.3569 8.4781 120.2803 61.9231 39.2782 177.2625 5019 F 4.2782 9.1882 117.1842 59.8886 38.4232 176.4642 5020 A 4.6311 7.7248 117.3297 51.8730 19.2235 177.1717 5021 I 4.1115 7.2259 117.1646 61.1750 38.8606 176.4341 5022 F 4.9460 7.5969 115.3762 56.9612 41.2950 175.0826 5023 F 4.6409 7.9779 118.8920 56.7723 39.2953 175.9890 5024 R 4.0211 7.9200 117.8206 55.5921 29.9733 175.8903 5025 E 4.1312 8.9873 120.9710 55.4782 29.0927 173.9637 5026 P 3.9771 0.0000 0.0000 60.3372 32.3654 174.0038 5027 P 4.5255 0.0000 0.0000 61.8408 32.2179 175.5345 5028 R 4.2262 8.4571 122.9932 54.8120 30.7412 176.5000 5029 I 4.1390 8.2034 117.9222 59.8460 36.8980 175.8940 5030 T 4.1823 8.0543 115.8890 61.9558 68.7768 174.1184 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 5001 M 8.30 4.18 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 5002 E 8.61 3.55 0.00 2.19 1.93 0.00 0.00 0.00 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 2.33 0.00 5003 T 8.11 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 5004 I 7.58 3.70 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.81 0.00 0.00 5005 T 7.59 4.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 5006 Y 6.80 4.48 0.00 3.17 2.98 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 5007 V 8.17 3.81 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 1.02 0.00 0.00 0.91 0.00 0.00 5008 F 7.91 4.44 0.00 3.28 3.25 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 5009 I 8.07 3.46 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.88 0.00 0.00 5010 F 8.07 4.10 0.00 3.29 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 5011 A 8.21 4.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5012 C 7.57 4.26 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5013 I 7.83 3.19 1.44 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 -0.14 0.00 0.00 5014 I 7.41 3.99 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.21 0.98 0.00 0.00 5015 A 7.27 3.77 0.99 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 5016 L 7.89 4.03 0.00 1.67 1.42 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5017 F 7.50 4.90 0.00 3.47 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 5018 F 8.48 4.36 0.00 3.32 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5019 F 9.19 4.28 0.00 3.13 3.04 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 0.00 0.00 0.00 0.00 5020 A 7.72 4.63 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 5021 I 7.23 4.11 0.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.74 0.49 0.00 0.00 5022 F 7.60 4.95 0.00 2.81 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 5023 F 7.98 4.64 0.00 3.03 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 5024 R 7.92 4.02 0.00 1.89 2.06 0.00 3.00 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 5025 E 8.99 4.13 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 5026 P 0.00 3.98 0.00 2.05 1.98 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 5027 P 0.00 4.53 0.00 2.16 2.04 0.00 3.73 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 1.94 1.96 0.00 5028 R 8.46 4.23 0.00 1.81 1.90 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 5029 I 8.20 4.14 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.90 0.00 0.00 5030 T 8.05 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00