NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5928 8.3644 120.3230 53.6916 40.9509 174.1799 2 V 4.0181 7.8234 118.7590 62.0506 33.5525 172.1666 3 M 5.4618 9.3038 128.8507 54.7708 34.1000 175.9453 4 W 5.0998 8.6895 119.5739 55.3378 33.2564 174.9610 5 E 5.0649 9.9148 125.3801 56.3889 30.9109 175.6600 6 Y 5.7649 9.4878 119.3395 56.3094 41.9058 173.5664 7 K 4.6727 8.8263 123.8871 54.2911 34.7743 176.3699 8 W 4.3587 9.1553 127.7450 59.6881 29.1955 175.9166 9 E 4.6179 7.9509 115.4578 54.8750 31.1809 174.9476 10 N 3.7783 8.0838 115.4050 52.7635 37.5163 174.1306 11 T 4.4281 7.4294 107.4480 60.8475 71.3669 174.2121 12 G 3.7448 8.3597 109.2824 46.4825 0.0000 173.9829 13 D 4.5909 7.6923 117.9995 54.4930 42.8795 176.3743 14 A 4.0078 7.9870 121.7269 51.5751 18.9793 176.8864 15 E 3.6910 8.4839 118.8727 56.1749 29.9533 176.8655 16 L 4.2155 7.5886 124.9643 53.5116 42.9523 174.2180 17 Y 4.7023 7.5554 125.9345 57.0693 41.3229 176.8201 18 G 4.6827 9.3517 109.4603 47.9761 0.0000 172.1539 19 P 4.5260 0.0000 0.0000 62.6288 31.6415 175.8105 20 F 4.9475 7.6730 117.6817 56.7196 41.1302 175.4041 21 T 4.4362 8.3563 112.4616 61.8452 70.6508 175.3757 22 S 4.3343 8.9566 119.1359 62.0949 62.9303 177.3905 23 A 3.8720 7.9937 122.7898 55.2979 18.3011 179.3371 24 Q 3.4267 7.4903 117.4719 59.2365 29.0042 178.3324 25 M 4.2622 8.2575 119.9479 58.5350 32.0293 178.6124 26 Q 3.4219 8.0672 118.5100 59.0172 28.1081 179.0844 27 T 3.6138 7.2974 116.0496 66.4022 68.3386 176.6678 28 W 4.3669 7.2998 120.0327 59.8328 28.8480 178.9314 29 V 3.2036 7.9280 117.1483 65.6393 30.9271 177.6650 30 S 4.3454 8.3669 114.9040 60.8147 62.8175 176.2195 31 E 4.0039 9.1183 121.0818 58.3841 29.2526 177.9735 32 G 4.1113 7.3865 104.2933 45.3036 0.0000 174.1127 33 Y 4.0014 7.6341 118.1652 60.3542 38.0367 177.0273 34 F 5.3980 7.4274 119.5854 55.0982 38.1884 174.1070 35 P 4.4185 0.0000 0.0000 64.4141 31.6939 177.4463 36 D 4.7939 8.5655 116.0440 53.3390 42.6847 176.7322 37 G 4.3813 8.4039 101.9972 47.6486 0.0000 172.7775 38 V 4.5887 7.8689 110.6673 59.3177 36.5633 175.4865 39 Y 4.8666 9.3776 120.9624 58.7836 36.2445 174.5472 40 C 5.7393 9.4121 121.6684 58.8849 30.4174 172.4931 41 R 4.7219 8.3385 118.2910 55.2814 32.8565 174.0115 42 K 3.5416 8.2058 125.7383 56.1900 32.3546 176.5334 43 L 4.2189 8.3988 123.6204 56.7223 41.7182 176.3769 44 D 4.8956 7.5341 116.3741 51.6394 42.3188 174.2218 45 P 4.4563 0.0000 0.0000 61.2997 32.4107 173.8825 46 P 4.3374 0.0000 0.0000 63.0749 31.4813 174.8728 47 G 3.7859 10.7124 114.4051 46.1772 0.0000 171.6601 48 G 4.0931 7.9384 113.4083 44.3636 0.0000 172.6308 49 Q 4.1875 8.2771 116.9869 54.9875 25.8200 175.8536 50 F 3.5028 7.7872 119.6762 57.6100 40.6084 174.6187 51 Y 4.7033 8.8073 116.6864 56.2840 42.3890 174.3523 52 N 4.9613 9.0329 122.5169 53.9312 39.7967 175.7623 53 S 4.2975 9.8440 121.3854 61.4545 63.1207 176.1053 54 K 4.2824 8.3778 119.5391 57.7762 32.1296 176.9094 55 R 4.5325 8.5210 116.1454 56.4832 30.7732 175.7326 56 I 4.2518 7.1510 118.4618 59.4320 39.4772 175.3063 57 D 4.6862 7.6153 122.3540 51.8118 41.0199 176.2982 58 F 4.0987 8.2003 124.0449 59.7210 39.3722 177.2912 59 D 4.4346 7.8845 119.4949 56.5096 41.0285 176.2719 60 L 4.5457 7.3802 118.1766 54.6910 42.0604 176.7361 61 Y 4.9522 7.7919 115.0771 59.8971 42.6335 175.4267 62 T 4.1972 8.0330 113.0068 61.9169 68.9160 174.0304 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 D 8.36 4.59 0.00 2.85 2.84 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 2 V 7.82 4.02 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 0.69 0.00 0.00 0.98 0.00 0.00 3 M 9.30 5.46 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 4 W 8.69 5.10 0.00 3.54 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 5 E 9.91 5.06 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.10 0.00 6 Y 9.49 5.76 0.00 2.77 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 7 K 8.83 4.67 0.00 1.69 1.67 0.00 1.33 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.50 7.81 8 W 9.16 4.36 0.00 3.37 3.21 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 0.00 0.00 0.00 0.00 9 E 7.95 4.62 0.00 1.89 1.79 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 2.21 2.32 0.00 10 N 8.08 3.78 0.00 2.25 1.91 0.00 0.00 5.65 7.63 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 11 T 7.43 4.43 4.15 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 1.11 0.00 0.00 12 G 8.36 3.74 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 0.00 0.00 0.00 13 D 7.69 4.59 0.00 2.59 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 14 A 7.99 4.01 1.12 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 0.00 0.00 15 E 8.48 3.69 0.00 1.95 1.47 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 2.33 2.40 0.00 16 L 7.59 4.22 0.00 1.33 1.33 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.56 4.70 0.00 1.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.35 4.68 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 0.00 0.00 0.00 19 P 0.00 4.53 0.00 1.97 1.97 0.00 2.34 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.72 0.00 20 F 7.67 4.95 0.00 3.44 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.36 4.44 4.33 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 0.00 0.00 0.00 1.29 0.00 0.00 22 S 8.96 4.33 0.00 4.34 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.99 3.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.49 3.43 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.30 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 25 M 8.26 4.26 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.25 3.18 0.00 26 Q 8.07 3.42 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 1.83 2.43 0.00 27 T 7.30 3.61 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 28 W 7.30 4.37 0.00 3.14 2.35 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 29 V 7.93 3.20 1.85 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 0.92 0.00 0.00 1.09 0.00 0.00 30 S 8.37 4.35 0.00 3.79 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 31 E 9.12 4.00 0.00 2.18 2.09 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 2.36 2.41 0.00 32 G 7.39 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 0.00 0.00 0.00 33 Y 7.63 4.00 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.43 5.40 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.42 0.00 2.25 2.24 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 36 D 8.57 4.79 0.00 2.71 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 37 G 8.40 4.38 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 0.00 38 V 7.87 4.59 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 -0.20 0.00 0.00 0.42 0.00 0.00 39 Y 9.38 4.87 0.00 3.14 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 40 C 9.41 5.74 0.00 3.30 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 41 R 8.34 4.72 0.00 0.80 0.66 0.00 2.35 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.13 0.00 42 K 8.21 3.54 0.00 1.12 1.29 0.00 1.24 0.00 0.00 0.93 0.00 0.00 2.14 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.21 7.81 43 L 8.40 4.22 0.00 1.58 1.65 0.87 1.29 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 44 D 7.53 4.90 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.46 0.00 2.18 1.99 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 46 P 0.00 4.34 0.00 2.19 2.09 0.00 3.34 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 47 G 10.71 3.79 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 0.00 0.00 0.00 48 G 7.94 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 49 Q 8.28 4.19 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 50 F 7.79 3.50 0.00 2.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.81 4.70 0.00 2.81 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 52 N 9.03 4.96 0.00 2.98 2.81 0.00 0.00 7.05 7.93 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 53 S 9.84 4.30 0.00 4.36 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 0.00 54 K 8.38 4.28 0.00 1.86 1.96 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.54 7.81 55 R 8.52 4.53 0.00 2.01 1.96 0.00 3.25 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 56 I 7.15 4.25 1.27 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.74 -0.27 0.00 0.00 57 D 7.62 4.69 0.00 2.48 2.27 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 58 F 8.20 4.10 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.88 4.43 0.00 2.57 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 60 L 7.38 4.55 0.00 1.06 1.29 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.79 4.95 0.00 3.18 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 62 T 8.03 4.20 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 1.33 0.00 0.00