NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.5176 8.1633 118.1949 55.1472 33.1753 177.3230 5002 T 3.8620 8.2835 118.4564 67.3103 67.2313 174.4264 5003 I 3.7471 7.6596 121.5143 64.3120 37.5655 177.8827 5004 L 3.9170 7.1991 116.1330 58.0286 39.9883 178.4958 5005 F 4.4632 8.0915 122.6604 60.9735 39.1818 176.9743 5006 Q 3.2470 7.5426 118.0718 58.2301 28.8877 179.0014 5007 L 4.3241 7.4765 114.7278 54.8491 42.6215 177.7976 5008 A 4.0940 8.7978 121.7216 53.8736 18.5878 178.7002 5009 L 4.2014 7.2574 117.1646 57.7119 41.3673 178.4137 5010 A 4.0246 7.1823 116.0376 52.7499 18.0805 177.8179 5011 A 4.3843 7.5011 121.5658 54.0313 20.6065 178.8203 5012 L 3.9114 8.0570 118.0533 56.7097 42.1640 179.0280 5013 V 3.6338 7.5846 119.4889 65.2269 31.6958 178.1782 5014 I 3.8066 7.5568 114.2378 62.3057 37.5647 177.7637 5015 L 3.9326 7.6163 122.9288 58.3456 41.6500 179.0866 5016 S 4.4098 8.0076 114.7317 61.6326 62.6608 176.1826 5017 F 3.9316 8.4816 123.4014 61.2194 38.8201 176.7942 5018 V 4.0954 8.0806 116.5757 64.5980 31.4609 177.8002 5019 M 4.1674 8.0738 118.9160 58.3194 31.5915 178.7199 5020 V 3.5774 8.7670 118.6875 66.1163 31.8266 177.9317 5021 I 4.0501 7.2688 118.6801 64.1451 37.4013 178.0258 5022 G 3.7282 8.0492 107.2929 46.7125 0.0000 175.8449 5023 V 3.6751 7.7065 120.7619 64.9266 31.7201 176.4160 5024 P 3.8583 0.0000 0.0000 65.7869 31.2618 178.6356 5025 V 3.6374 7.4354 115.0890 65.9189 31.0383 177.8813 5026 A 4.3976 7.7077 119.2586 54.5315 18.3389 177.5142 5027 Y 4.8578 8.1984 112.2529 58.1494 39.0424 176.0258 5028 A 4.7413 8.1596 122.1622 53.1805 20.9081 177.3002 5029 S 4.4850 8.4436 111.1936 56.8982 64.0895 173.2224 5030 P 2.0000 0.0000 0.0000 62.8582 31.6984 176.9850 5031 Q 3.8324 6.7774 120.1626 55.4290 27.0124 173.6295 5032 D 4.1998 7.2351 123.8615 53.9936 39.1184 175.0629 5033 W 4.3850 8.5812 123.8355 58.2007 30.1245 178.5171 5034 D 4.5168 8.2347 118.6318 56.4910 40.5052 178.6496 5035 R 3.9678 7.8725 116.2188 59.4245 29.0420 178.6000 5036 S 4.2346 7.7480 113.7541 60.3558 62.1675 175.9622 5037 K 4.1040 7.4435 121.7034 59.2364 32.2107 178.2267 5038 Q 4.2067 8.0599 119.4265 58.8252 29.1749 177.3517 5039 L 4.2832 7.6762 120.0173 57.3552 41.7832 178.8258 5040 I 3.9096 7.3174 118.3927 64.6048 36.7956 177.0635 5041 F 4.5484 8.7665 119.7894 59.4773 39.2946 176.4522 5042 L 4.0209 7.9031 120.0555 58.7768 41.9036 178.3403 5043 G 3.8747 7.8904 105.2416 46.6106 0.0000 174.1082 5044 S 4.8362 7.0945 117.1087 58.2987 62.6922 174.2207 5045 G 3.5962 7.6152 111.4947 46.7983 0.0000 176.0658 5046 L 3.7126 7.6846 119.8419 56.4860 41.6625 179.3928 5047 W 3.8964 8.2931 128.8999 60.5945 30.7012 178.0207 5048 I 4.0506 8.1516 119.0802 64.1857 36.3275 177.6818 5049 A 4.2596 7.6587 120.7912 54.7145 18.9529 179.5282 5050 L 3.1696 8.4105 118.3773 57.4248 41.3831 180.2915 5051 V 3.6257 6.8370 116.9731 64.3328 32.2938 178.3090 5052 L 4.1525 7.3977 118.0989 56.1514 41.4362 179.6774 5053 V 3.6380 8.6508 120.2716 65.8058 31.4972 177.6397 5054 V 4.2027 7.2657 113.8743 62.4949 31.6556 177.3401 5055 G 4.2998 8.3880 107.3694 46.5559 0.0000 175.1799 5056 V 3.4869 8.8206 126.9586 64.4222 32.5362 175.5040 5057 L 3.9907 7.8233 119.9010 58.5898 41.8904 177.6858 5058 N 3.9221 7.9517 116.1580 56.6568 38.7362 176.4096 5059 F 4.0638 7.8286 117.3822 58.9510 40.3091 176.2443 5060 F 4.8901 7.0590 118.7942 56.2439 36.5314 175.4596 5061 V 3.5602 6.9631 116.3679 61.5680 32.6753 177.1791 5062 V 3.9740 7.4853 125.6996 61.9342 31.5179 176.0312 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 4.52 0.00 2.26 2.44 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.77 0.00 5002 T 8.28 3.86 4.29 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 0.00 0.00 0.00 1.35 0.00 0.00 5003 I 7.66 3.75 1.90 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 1.71 0.76 0.93 0.00 0.00 5004 L 7.20 3.92 0.00 1.79 1.84 1.05 0.88 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 5005 F 8.09 4.46 0.00 3.27 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 3.25 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.42 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 5007 L 7.48 4.32 0.00 1.56 1.63 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5008 A 8.80 4.09 1.24 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 0.00 0.00 0.00 5009 L 7.26 4.20 0.00 1.68 1.64 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5010 A 7.18 4.02 1.31 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 0.00 0.00 0.00 5011 A 7.50 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.91 0.00 1.39 1.34 -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 5013 V 7.58 3.63 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 0.81 0.00 0.00 0.97 0.00 0.00 5014 I 7.56 3.81 1.77 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 1.58 0.54 0.74 0.00 0.00 5015 L 7.62 3.93 0.00 1.83 1.68 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5016 S 8.01 4.41 0.00 4.09 4.32 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 5017 F 8.48 3.93 0.00 3.27 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 5018 V 8.08 4.10 2.40 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 1.04 0.00 0.00 1.00 0.00 0.00 5019 M 8.07 4.17 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 3.25 0.00 5020 V 8.77 3.58 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 0.77 0.00 0.00 0.97 0.00 0.00 5021 I 7.27 4.05 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.94 0.00 0.00 5022 G 8.05 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.68 1.97 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 0.93 0.00 0.00 1.03 0.00 0.00 5024 P 0.00 3.86 0.00 2.11 1.98 0.00 3.54 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.00 0.00 5025 V 7.44 3.64 2.08 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 0.92 0.00 0.00 0.98 0.00 0.00 5026 A 7.71 4.40 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.86 0.00 2.93 2.99 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 5028 A 8.16 4.74 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 5029 S 8.44 4.49 0.00 3.81 3.94 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 5030 P 0.00 2.00 0.00 1.85 2.00 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 5031 Q 6.78 3.83 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.19 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5032 D 7.24 4.20 0.00 2.91 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 8.58 4.38 0.00 3.45 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 5034 D 8.23 4.52 0.00 2.85 2.75 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 0.00 0.00 0.00 0.00 5035 R 7.87 3.97 0.00 2.10 2.21 0.00 2.99 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 5036 S 7.75 4.23 0.00 3.97 3.95 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 5037 K 7.44 4.10 0.00 2.08 1.97 0.00 1.99 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 5038 Q 8.06 4.21 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 5039 L 7.68 4.28 0.00 1.85 1.83 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5040 I 7.32 3.91 2.30 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.15 1.08 0.00 0.00 5041 F 8.77 4.55 0.00 3.10 3.20 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 0.00 0.00 0.00 0.00 5042 L 7.90 4.02 0.00 1.74 1.79 0.94 1.47 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 5043 G 7.89 3.87 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 0.00 0.00 0.00 5044 S 7.09 4.84 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5046 L 7.68 3.71 0.00 1.74 1.70 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5047 W 8.29 3.90 0.00 3.67 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 5048 I 8.15 4.05 1.95 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 1.66 0.97 1.01 0.00 0.00 5049 A 7.66 4.26 1.27 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 0.00 0.00 5050 L 8.41 3.17 0.00 1.51 1.52 0.80 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5051 V 6.84 3.63 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 5052 L 7.40 4.15 0.00 1.86 1.78 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 5053 V 8.65 3.64 2.21 0.00 0.00 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 0.95 0.00 0.00 5054 V 7.27 4.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 5055 G 8.39 4.30 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 0.00 5056 V 8.82 3.49 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 0.54 0.00 0.00 0.81 0.00 0.00 5057 L 7.82 3.99 0.00 2.23 1.80 1.23 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5058 N 7.95 3.92 0.00 2.87 3.09 0.00 0.00 7.29 7.05 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 5059 F 7.83 4.06 0.00 2.51 2.86 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 5060 F 7.06 4.89 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5061 V 6.96 3.56 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.94 0.00 0.00 5062 V 7.49 3.97 2.08 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 0.70 0.00 0.00 0.94 0.00 0.00