NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4495 8.1627 120.3217 55.8065 34.0756 177.3988 5002 T 3.8667 7.8177 111.4690 64.1934 66.9107 174.0813 5003 I 4.3463 7.9431 121.5960 63.1435 39.0645 177.3985 5004 L 4.1131 8.1069 120.8326 58.7849 40.0800 178.6109 5005 F 4.2811 8.2151 121.8753 61.3195 38.8335 177.0576 5006 Q 3.7154 7.5980 114.0478 59.0293 27.9818 178.4837 5007 L 4.1149 7.7334 119.7100 56.5504 41.9372 178.6530 5008 A 3.9032 7.5968 120.7557 55.0080 17.8256 179.5031 5009 L 3.6838 7.7929 119.0110 58.0925 42.0721 178.8857 5010 A 4.0064 7.5046 119.6144 54.1456 18.1251 179.5496 5011 A 3.8766 7.6450 119.6488 55.2890 18.4939 179.3477 5012 L 3.7000 7.4303 118.7739 58.2803 41.7830 179.3466 5013 V 3.7024 7.3694 116.9370 65.5675 31.3662 177.9599 5014 I 3.8066 7.5301 119.1029 63.4827 36.7795 177.9107 5015 L 4.2148 8.1324 121.8148 57.7597 41.9266 178.8371 5016 S 4.3765 7.9243 115.2005 61.3943 62.8083 176.2459 5017 F 4.1278 8.6970 123.7857 61.7176 39.0155 176.8166 5018 V 3.8612 7.9507 117.0889 65.3809 30.8462 177.6100 5019 M 3.9498 9.4664 119.4180 59.5720 31.8320 178.3222 5020 V 3.7569 8.5952 118.3053 64.5857 31.7084 177.2642 5021 I 3.9165 8.1064 120.0900 64.6077 37.4565 177.8842 5022 G 3.7996 8.8545 105.3290 46.4187 0.0000 175.5938 5023 V 3.6650 6.3185 118.5644 65.4016 32.0320 175.3580 5024 P 4.0973 0.0000 0.0000 65.9597 31.2139 178.5073 5025 V 3.6222 7.8103 116.4846 66.3458 31.2009 177.4463 5026 A 4.0923 8.0407 119.5582 55.9843 18.3189 178.9855 5027 Y 4.1439 9.0631 114.8706 60.3914 38.0634 178.9036 5028 A 4.3934 7.7387 121.4872 54.0526 19.6745 179.1552 5029 S 4.5573 8.4694 119.2992 56.5705 62.6466 172.7619 5030 P 4.6336 0.0000 0.0000 63.7806 31.6849 177.6745 5031 Q 4.2720 8.2539 117.0480 58.6358 28.8118 177.0573 5032 D 5.0946 7.6828 118.0644 53.2121 41.4059 178.2781 5033 W 4.2703 8.3983 118.3979 59.0099 28.8514 177.9295 5034 D 3.5622 7.6228 118.2191 54.8634 39.7008 177.7218 5035 R 4.2340 7.6553 115.8269 58.2127 30.5726 178.4175 5036 S 4.1986 8.1200 114.2367 59.9951 61.9483 175.7392 5037 K 3.8887 7.4194 121.8178 60.4754 31.8100 178.2405 5038 Q 4.2344 8.1659 119.7017 58.0372 28.9168 177.4146 5039 L 4.1148 8.1457 119.2593 56.8526 41.9414 178.5170 5040 I 4.1275 7.7956 119.4685 63.2465 37.7274 177.3171 5041 F 4.1835 7.9581 116.5186 59.4324 39.1016 176.6702 5042 L 4.1508 8.4990 121.1147 58.2319 41.0112 178.9335 5043 G 3.8789 8.2095 104.0790 49.3865 0.0000 174.8600 5044 S 3.5122 7.8572 112.6235 61.6744 62.6977 176.8720 5045 G 3.6109 7.9100 108.9977 48.1910 0.0000 175.0424 5046 L 3.8041 7.7738 120.9783 57.2378 41.9561 178.8259 5047 W 4.1708 9.5677 129.1516 60.3411 30.7298 177.9330 5048 I 4.0564 8.9829 119.9467 64.6968 36.7039 178.3130 5049 A 4.0216 8.8036 122.0587 55.1884 18.3396 179.4673 5050 L 3.9693 8.1051 118.7952 57.7306 42.0656 179.4848 5051 V 3.4645 7.9700 118.9443 65.8725 31.5859 178.0609 5052 L 4.0640 8.1740 118.6733 57.3353 41.0880 179.8989 5053 V 3.5491 7.4751 117.9481 66.0277 31.8357 178.0965 5054 V 4.0034 7.8044 117.3557 63.6596 31.2659 177.9816 5055 G 4.0914 8.2084 101.7609 47.3031 0.0000 174.7887 5056 V 3.5290 8.7534 125.2653 64.7671 32.4643 176.3602 5057 L 4.0768 7.5518 119.7179 58.3383 41.8284 178.8698 5058 N 3.7609 7.8169 117.3897 56.4242 38.8880 176.1568 5059 F 5.0186 7.0493 114.5211 57.8641 38.5102 175.8249 5060 F 5.4157 8.2933 118.5775 56.7187 41.1390 175.9004 5061 V 4.3243 7.1499 115.0360 61.7964 33.0066 176.2589 5062 V 4.0319 7.5024 117.9403 61.7525 32.4776 174.0849 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 4.45 0.00 1.95 2.02 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 2.41 2.28 0.00 5002 T 7.82 3.87 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 5003 I 7.94 4.35 1.87 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 1.10 1.33 0.91 0.00 0.00 5004 L 8.11 4.11 0.00 1.93 2.03 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5005 F 8.22 4.28 0.00 3.23 3.14 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 0.00 0.00 0.00 0.00 5006 Q 7.60 3.72 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 5007 L 7.73 4.11 0.00 1.78 1.70 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5008 A 7.60 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 3.68 0.00 1.11 1.01 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 5010 A 7.50 4.01 1.30 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 0.00 0.00 5011 A 7.64 3.88 1.39 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 0.00 0.00 5012 L 7.43 3.70 0.00 1.58 1.81 0.26 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5013 V 7.37 3.70 2.07 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 1.11 0.00 0.00 0.91 0.00 0.00 5014 I 7.53 3.81 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.23 0.81 0.00 0.00 5015 L 8.13 4.21 0.00 1.95 1.86 1.04 0.95 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 5016 S 7.92 4.38 0.00 3.95 4.11 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 5017 F 8.70 4.13 0.00 3.26 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.86 2.31 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 1.04 0.00 0.00 1.05 0.00 0.00 5019 M 9.47 3.95 0.00 1.99 2.49 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.89 0.00 5020 V 8.60 3.76 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 5021 I 8.11 3.92 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.98 0.00 0.00 5022 G 8.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.32 3.66 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 0.18 0.00 0.00 0.94 0.00 0.00 5024 P 0.00 4.10 0.00 2.34 2.03 0.00 3.76 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 5025 V 7.81 3.62 2.23 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 0.90 0.00 0.00 1.04 0.00 0.00 5026 A 8.04 4.09 1.66 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 0.00 0.00 5027 Y 9.06 4.14 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 5028 A 7.74 4.39 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 5029 S 8.47 4.56 0.00 4.05 4.09 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 5030 P 0.00 4.63 0.00 1.99 2.00 0.00 3.70 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.23 0.00 5031 Q 8.25 4.27 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.52 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 5032 D 7.68 5.09 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5033 W 8.40 4.27 0.00 3.46 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 5034 D 7.62 3.56 0.00 2.36 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5035 R 7.66 4.23 0.00 2.00 2.14 0.00 2.96 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 5036 S 8.12 4.20 0.00 4.01 4.01 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 5037 K 7.42 3.89 0.00 1.80 2.25 0.00 1.12 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.53 1.38 7.81 5038 Q 8.17 4.23 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 5039 L 8.15 4.11 0.00 1.77 1.76 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5040 I 7.80 4.13 2.24 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.18 0.99 0.00 0.00 5041 F 7.96 4.18 0.00 3.12 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 5042 L 8.50 4.15 0.00 1.98 1.75 0.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5043 G 8.21 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5044 S 7.86 3.51 0.00 3.91 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5045 G 7.91 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5046 L 7.77 3.80 0.00 1.90 2.10 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5047 W 9.57 4.17 0.00 3.52 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5048 I 8.98 4.06 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 1.01 0.00 0.00 5049 A 8.80 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5050 L 8.11 3.97 0.00 2.01 1.58 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5051 V 7.97 3.46 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.45 0.00 0.00 5052 L 8.17 4.06 0.00 1.93 1.72 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5053 V 7.48 3.55 2.23 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 0.82 0.00 0.00 0.98 0.00 0.00 5054 V 7.80 4.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.97 0.00 0.00 5055 G 8.21 4.09 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 0.00 0.00 0.00 5056 V 8.75 3.53 2.07 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 0.85 0.00 0.00 0.95 0.00 0.00 5057 L 7.55 4.08 0.00 1.88 1.45 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 5058 N 7.82 3.76 0.00 2.57 2.38 0.00 0.00 7.32 7.91 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 5059 F 7.05 5.02 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5060 F 8.29 5.42 0.00 3.18 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5061 V 7.15 4.32 2.01 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 0.39 0.00 0.00 0.97 0.00 0.00 5062 V 7.50 4.03 2.10 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 0.68 0.00 0.00 0.95 0.00 0.00