NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.3924 8.1627 120.3476 55.3212 34.6782 176.9006 5002 E 3.6724 8.1941 118.5506 59.6323 29.2253 177.5742 5003 T 3.9990 8.2787 115.4880 66.8402 68.9084 175.3267 5004 L 4.1964 8.8679 123.0376 57.8693 41.9958 177.6101 5005 K 3.7358 8.5832 119.5900 60.2337 31.2531 178.1793 5006 I 3.5448 7.4853 112.0367 64.5039 37.7064 177.9818 5007 T 4.2416 7.4679 112.7978 64.3093 68.1889 176.1722 5008 V 3.5847 7.8057 120.3373 66.0581 31.4515 177.4016 5009 Y 3.9706 8.5830 116.6965 62.0137 37.7697 178.1356 5010 I 3.7421 9.3218 118.9829 65.0493 37.0234 177.8802 5011 V 3.9575 8.3345 118.3158 66.7598 31.7861 178.8466 5012 V 3.5247 8.2960 117.9225 66.1904 31.3871 177.8749 5013 T 3.8014 8.9813 113.7468 65.3605 67.1219 175.7238 5014 F 4.2487 8.8032 121.5596 61.5474 39.4160 177.0726 5015 F 3.6274 8.0489 117.1197 60.3605 38.9545 178.2411 5016 V 3.7460 7.7309 111.4904 64.2260 31.2321 178.8095 5017 L 3.8094 7.6801 118.5734 57.6465 41.3338 178.9259 5018 L 4.1605 7.5253 116.0486 55.9783 41.9091 178.4793 5019 F 4.4206 7.8206 121.1137 60.5708 39.7522 177.4261 5020 V 3.5876 8.0452 117.6837 66.1118 31.3855 178.1006 5021 F 4.3217 8.5201 115.9593 60.0409 38.7108 177.3456 5022 G 3.7808 7.9767 104.2452 47.1043 0.0000 175.4016 5023 F 4.1649 7.7622 121.5563 60.8927 39.4126 175.7515 5024 L 3.9795 7.9423 119.2491 56.1403 41.3805 177.3394 5025 S 3.9436 8.2564 116.4008 60.1463 64.1596 174.5493 5026 G 3.6424 8.8732 114.5546 45.9148 0.0000 171.0165 5027 D 4.6307 7.6640 119.7582 55.7366 44.2059 175.4466 5028 P 4.4354 0.0000 0.0000 64.3244 31.3455 176.5858 5029 A 4.6546 7.6611 118.9910 52.1767 20.4492 178.1549 5030 R 4.3435 7.9914 116.4823 55.3137 27.3787 175.3392 5031 N 4.7660 7.3556 116.1302 51.6484 39.9806 173.1438 5032 P 4.3398 0.0000 0.0000 65.6691 31.6921 176.0780 5033 K 4.3066 7.3885 115.9098 55.3210 34.5546 174.8879 5034 R 4.4658 8.4366 122.8467 54.3263 30.0055 176.5243 5035 K 4.1914 8.2958 120.7675 56.2498 32.4722 176.5272 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 8.16 4.39 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 5002 E 8.19 3.67 0.00 2.12 1.94 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 2.33 2.41 0.00 5003 T 8.28 4.00 4.23 0.00 0.00 0.00 0.00 0.00 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 5004 L 8.87 4.20 0.00 1.68 1.81 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5005 K 8.58 3.74 0.00 1.71 1.69 0.00 1.34 0.00 0.00 1.49 0.00 0.00 2.64 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.63 1.30 7.81 5006 I 7.49 3.54 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.88 0.72 0.00 0.00 5007 T 7.47 4.24 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 1.32 0.00 0.00 5008 V 7.81 3.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.10 0.00 0.00 5009 Y 8.58 3.97 0.00 3.08 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 5010 I 9.32 3.74 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 1.00 0.00 0.00 5011 V 8.33 3.96 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.16 0.00 0.00 5012 V 8.30 3.52 2.13 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 0.83 0.00 0.00 0.89 0.00 0.00 5013 T 8.98 3.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 5014 F 8.80 4.25 0.00 2.92 3.36 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 5015 F 8.05 3.63 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5016 V 7.73 3.75 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 0.77 0.00 0.00 1.02 0.00 0.00 5017 L 7.68 3.81 0.00 1.77 1.35 0.86 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5018 L 7.53 4.16 0.00 1.35 1.53 0.25 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 5019 F 7.82 4.42 0.00 3.20 3.32 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 5020 V 8.05 3.59 2.32 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 1.11 0.00 0.00 1.26 0.00 0.00 5021 F 8.52 4.32 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5022 G 7.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.16 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.98 0.00 1.58 1.46 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5025 S 8.26 3.94 0.00 3.94 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 0.00 5026 G 8.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5027 D 7.66 4.63 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5028 P 0.00 4.44 0.00 2.08 2.10 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 5029 A 7.66 4.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5030 R 7.99 4.34 0.00 1.95 1.92 0.00 3.36 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 5031 N 7.36 4.77 0.00 2.79 2.80 0.00 0.00 6.38 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5032 P 0.00 4.34 0.00 2.20 2.22 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 5033 K 7.39 4.31 0.00 1.68 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.41 7.81 5034 R 8.44 4.47 0.00 1.81 1.85 0.00 3.22 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 5035 K 8.30 4.19 0.00 1.69 1.68 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81