NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4680 8.3049 120.3489 55.4978 33.4179 174.5160 2 Q 4.4242 8.2943 122.5523 53.3762 32.9599 172.6434 3 R 4.5748 8.3990 120.3703 55.0344 32.9093 174.9941 4 G 4.2116 7.9253 109.2081 45.7812 0.0000 171.8401 5 K 4.7893 8.6910 118.2869 54.0058 35.8974 176.5970 6 V 3.8416 8.4829 124.7956 63.4195 31.4387 175.5334 7 K 4.3912 9.2736 131.0961 58.8254 32.5635 176.6659 8 W 5.1703 7.7005 114.4067 55.9017 31.1874 172.6140 9 F 5.1069 9.0364 122.4359 56.8881 42.3800 172.7563 10 N 4.9227 8.2008 124.7877 51.9272 40.3075 174.9120 11 N 4.5627 8.9625 124.0825 55.4184 39.2446 176.4647 12 E 4.1135 8.2141 117.3177 58.5967 29.9097 177.8754 13 K 4.0407 8.2534 117.1333 56.5021 32.7210 177.4622 14 G 3.9256 9.3843 107.1128 45.7090 0.0000 172.0509 15 Y 4.6725 6.2453 115.9266 56.2475 41.5035 172.9225 16 G 3.2926 7.4942 103.9045 45.8474 0.0000 172.2126 17 F 5.0520 7.5709 117.8165 55.6447 43.6648 174.0478 18 I 4.7748 8.8122 123.1511 59.6824 39.3764 174.5292 19 E 4.6858 9.2975 128.8566 55.4636 31.4910 175.0657 20 V 4.7209 8.1150 125.0050 60.5847 35.0640 174.1738 21 E 4.0620 8.9364 128.7683 57.5971 29.7082 176.5435 22 G 3.9105 9.4167 113.8939 45.8395 0.0000 172.2241 23 G 4.2293 7.7701 107.1389 43.4503 0.0000 172.9687 24 S 4.3633 8.3640 114.8621 57.9994 63.4043 174.4174 25 D 4.8313 8.5162 122.6357 54.8873 41.7729 175.9485 26 V 4.5432 8.8349 121.1520 60.8029 34.1621 174.7700 27 F 3.8450 9.1176 130.7336 58.1092 40.3964 174.5510 28 V 4.1313 7.2249 124.2692 60.1103 34.3256 174.2971 29 H 4.7570 8.5044 125.1599 54.4123 31.1983 175.7294 30 F 4.3988 8.5777 120.6940 60.0749 37.7144 177.5176 31 T 3.7314 7.0436 109.5847 63.4114 68.6394 174.8229 32 A 4.1889 7.7937 124.1897 53.3683 18.9949 177.6119 33 I 3.8873 7.5138 117.9459 61.0850 37.6026 176.0779 34 Q 4.2899 8.4778 124.1614 55.2989 30.1325 175.7302 35 G 3.9380 8.4743 105.2885 44.6532 0.0000 172.7585 36 E 4.0088 8.2867 119.5096 55.8274 30.0491 176.7098 37 G 3.9521 8.3147 114.7200 44.2068 0.0000 172.6348 38 F 4.1115 8.5774 121.8576 57.5352 39.7419 174.4502 39 K 4.3633 7.8052 127.7913 55.2942 32.8607 175.7124 40 T 4.7226 8.0843 116.8744 60.7605 70.5923 172.2861 41 L 4.8583 8.1522 123.2540 52.8773 45.4613 176.1261 42 E 4.5513 8.3949 121.2304 54.3173 31.1991 175.3434 43 E 4.0836 8.5987 122.9286 58.2330 29.9086 177.4138 44 G 3.9581 8.8749 113.8980 45.1609 0.0000 173.3640 45 Q 4.0069 7.7252 121.4341 56.1578 29.5059 175.4954 46 E 4.3783 8.7103 125.0801 56.5009 30.7565 176.1885 47 V 5.1657 8.3659 115.9668 59.8126 36.1052 174.6787 48 S 5.0708 8.5785 117.3887 57.1635 65.9724 172.6835 49 F 5.4382 7.7593 114.1631 57.5404 40.3793 172.4262 50 E 4.7196 9.3321 118.9088 54.7132 32.2674 175.3263 51 I 5.0063 8.2620 123.2598 60.2339 38.9666 175.3433 52 V 4.6215 8.8653 118.6593 59.6452 36.7071 173.9736 53 Q 4.7251 8.6547 122.6203 54.5857 31.4447 175.3479 54 G 4.1076 8.8045 116.2995 43.4763 0.0000 173.5742 55 N 4.4713 8.6256 115.5608 54.8328 37.3563 175.9810 56 R 4.4019 8.0104 116.5321 55.6791 30.8056 174.1057 57 G 3.8077 7.4509 104.7097 42.7685 0.0000 171.8884 58 P 5.0499 0.0000 0.0000 62.8715 32.1146 176.0483 59 Q 4.6440 9.0365 119.2737 55.1188 32.4744 173.0575 60 A 4.9857 8.4169 121.4067 51.4587 19.8116 176.6564 61 A 4.6345 9.0759 122.5730 49.9058 22.7262 175.2523 62 N 3.9923 8.3513 115.2859 54.5853 37.1717 174.9437 63 V 4.4786 7.5602 117.3640 62.5160 32.8235 175.7857 64 V 4.4469 8.6938 129.0387 60.8141 33.9422 174.7052 65 K 4.6411 8.7212 127.6951 56.3347 32.6504 176.9823 66 L 4.3353 8.6786 124.9688 54.8566 41.3456 176.7560 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 M 8.30 4.47 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 Q 8.29 4.42 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 3 R 8.40 4.57 0.00 1.75 1.80 0.00 3.28 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 4 G 7.93 4.21 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 0.00 0.00 0.00 5 K 8.69 4.79 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 6 V 8.48 3.84 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 0.80 0.00 0.00 0.88 0.00 0.00 7 K 9.27 4.39 0.00 1.87 1.98 0.00 2.05 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.76 1.52 7.81 8 W 7.70 5.17 0.00 3.49 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 9 F 9.04 5.11 0.00 2.97 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 10 N 8.20 4.92 0.00 2.87 2.36 0.00 0.00 7.00 7.48 0.00 0.00 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 N 8.96 4.56 0.00 2.75 2.84 0.00 0.00 7.22 7.66 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 12 E 8.21 4.11 0.00 2.05 1.95 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 2.27 2.34 0.00 13 K 8.25 4.04 0.00 1.01 1.09 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.29 7.81 14 G 9.38 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 6.25 4.67 0.00 2.36 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.49 3.29 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 0.00 0.00 0.00 0.00 17 F 7.57 5.05 0.00 2.56 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 18 I 8.81 4.77 1.88 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 1.08 0.73 0.97 0.00 0.00 19 E 9.30 4.69 0.00 2.06 1.95 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 2.30 2.29 0.00 20 V 8.11 4.72 2.11 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 1.01 0.00 0.00 0.96 0.00 0.00 21 E 8.94 4.06 0.00 1.98 1.87 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 2.30 2.32 0.00 22 G 9.42 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.77 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 0.00 0.00 0.00 0.00 24 S 8.36 4.36 0.00 3.91 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 25 D 8.52 4.83 0.00 2.58 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 26 V 8.83 4.54 2.12 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 0.96 0.00 0.00 1.03 0.00 0.00 27 F 9.12 3.85 0.00 2.75 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 28 V 7.22 4.13 1.92 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 0.54 0.00 0.00 0.85 0.00 0.00 29 H 8.50 4.76 0.00 3.26 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.58 4.40 0.00 3.38 3.63 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 0.00 0.00 0.00 0.00 31 T 7.04 3.73 4.05 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 0.00 0.00 0.44 0.00 0.00 32 A 7.79 4.19 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 33 I 7.51 3.89 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.85 0.00 0.00 34 Q 8.48 4.29 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 35 G 8.47 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 0.00 0.00 0.00 36 E 8.29 4.01 0.00 1.91 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 0.00 2.27 2.35 0.00 37 G 8.31 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 0.00 0.00 0.00 38 F 8.58 4.11 0.00 3.00 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 39 K 7.81 4.36 0.00 1.55 1.62 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.25 7.81 40 T 8.08 4.72 4.61 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 1.34 0.00 0.00 41 L 8.15 4.86 0.00 1.61 1.49 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.39 4.55 0.00 2.03 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 0.00 2.34 2.29 0.00 43 E 8.60 4.08 0.00 1.92 1.88 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 2.30 2.33 0.00 44 G 8.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 4.01 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 46 E 8.71 4.38 0.00 1.96 1.88 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 2.42 2.30 0.00 47 V 8.37 5.17 2.19 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 0.76 0.00 0.00 1.01 0.00 0.00 48 S 8.58 5.07 0.00 3.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.76 5.44 0.00 3.16 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 50 E 9.33 4.72 0.00 1.89 1.88 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 2.23 2.40 0.00 51 I 8.26 5.01 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.63 0.98 0.00 0.00 52 V 8.87 4.62 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 0.75 0.00 0.00 1.00 0.00 0.00 53 Q 8.65 4.73 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 54 G 8.80 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 55 N 8.63 4.47 0.00 2.84 2.97 0.00 0.00 5.80 7.66 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 56 R 8.01 4.40 0.00 1.78 1.94 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 57 G 7.45 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 5.05 0.00 1.97 2.02 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 59 Q 9.04 4.64 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 60 A 8.42 4.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.08 4.63 1.23 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 0.00 0.00 0.00 62 N 8.35 3.99 0.00 2.97 2.83 0.00 0.00 6.60 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.56 4.48 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 0.79 0.00 0.00 0.92 0.00 0.00 64 V 8.69 4.45 2.12 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 0.94 0.00 0.00 1.01 0.00 0.00 65 K 8.72 4.64 0.00 1.70 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.48 7.81 66 L 8.68 4.34 0.00 1.62 1.59 0.95 1.17 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