NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9302 8.3549 109.7366 45.2962 0.0000 173.8443 3 K 3.7700 7.7721 121.5363 54.6552 33.1182 171.2941 4 V 4.4674 8.7399 123.0451 61.3106 35.3940 173.4135 5 Y 5.0116 8.7980 124.1524 56.2043 40.6353 174.7381 6 K 4.5165 8.1356 122.8999 54.5592 35.1157 174.8231 7 K 5.0064 8.4602 124.4934 54.6802 34.5562 175.8656 8 V 4.5263 8.7477 117.3097 59.4865 35.5247 174.3985 9 E 5.0000 8.7834 124.6456 54.9897 30.4718 174.8493 10 L 4.8775 8.8618 127.1782 52.8063 45.7101 176.0801 11 V 4.7483 8.3017 120.9177 61.1547 33.3948 175.2418 12 G 4.1051 8.7606 116.4761 46.0063 0.0000 171.8815 13 T 5.8045 7.9340 111.3234 59.0236 72.3635 172.9163 14 S 4.6391 8.1771 113.6729 58.0367 65.2054 176.0338 15 E 4.6187 9.0346 124.1494 57.6099 30.0271 178.1250 16 E 4.1733 8.6581 119.0110 57.4634 30.2505 176.6063 17 G 3.3225 7.0801 103.7704 44.5683 0.0000 172.9922 18 L 3.8002 7.4128 118.0679 57.7498 41.6182 179.0508 19 E 3.8932 8.0488 117.7822 59.5630 29.4376 179.2504 20 A 3.9287 7.8966 119.8436 54.8212 18.5355 179.3832 21 A 3.8816 7.7224 118.8553 55.4544 18.5644 179.7505 22 I 3.5081 7.6296 118.2147 64.7762 37.1884 178.7011 23 Q 3.8818 8.1898 118.5205 58.7668 28.4980 178.7214 24 A 3.9495 8.0083 121.6261 54.9924 18.3232 179.5349 25 A 3.8541 7.7515 118.6938 55.3645 18.4191 179.9082 26 L 3.8157 7.8595 117.2481 57.7737 41.4237 179.5433 27 A 3.9188 8.2048 120.1144 55.1980 18.4757 179.4093 28 R 3.9195 7.9845 116.8910 59.2164 30.1905 178.2508 29 A 3.8730 8.1790 121.0848 55.4323 18.1663 179.6272 30 R 3.8787 7.9212 115.0737 58.8116 30.1438 178.4222 31 K 4.1582 7.6799 117.8330 58.7171 32.1233 177.5670 32 T 4.5207 7.6953 105.4198 60.4593 70.4239 173.5209 33 L 4.5433 7.7074 121.7822 52.7643 44.0655 175.8504 34 R 4.5142 7.9120 120.0191 55.7582 33.1088 174.9259 35 H 4.1919 8.5357 114.0777 56.9228 25.7584 175.1701 36 L 4.4937 8.1522 119.1468 55.4458 42.1263 175.9077 37 D 5.1994 9.1626 122.9520 55.3013 42.8795 176.4026 38 W 5.5399 7.8268 113.3295 55.2096 31.8831 172.9986 39 F 5.3563 8.3987 114.2022 55.2587 40.9878 173.6566 40 E 4.7461 9.3061 119.3508 54.6036 33.2276 175.0592 41 V 4.3376 8.6324 124.5031 62.8833 31.8424 175.2662 42 K 4.4544 9.5294 128.0363 58.1133 33.2578 176.8905 43 E 4.8586 8.0192 117.2726 54.5457 34.3599 174.4328 44 I 5.0533 8.4461 121.9710 59.7997 39.9798 174.6435 45 A 4.7000 8.9515 128.3975 51.2847 23.3234 173.9223 46 G 4.1788 8.0667 104.0198 46.7602 0.0000 172.8249 47 T 4.7666 7.8907 109.8799 60.0054 71.7675 173.5865 48 I 4.8657 8.2269 122.3338 59.7608 39.8599 175.6714 49 G 4.2756 8.8423 116.2258 44.4987 0.0000 173.1779 50 E 3.8560 9.0298 117.8034 58.8843 29.6656 177.5489 51 A 4.6205 7.9544 118.9959 51.8511 20.5059 176.1898 52 G 3.9915 7.3885 105.7559 44.6267 0.0000 176.7241 53 V 3.7970 8.1889 125.6489 62.9389 31.5364 175.1337 54 K 4.1378 8.7868 129.3660 58.6666 33.3338 175.9057 55 E 4.8417 7.6144 119.4498 54.5308 33.1271 173.5784 56 Y 4.7003 9.2082 125.2101 57.6270 39.8574 174.5228 57 Q 5.0673 9.5571 122.2225 54.1643 32.6977 174.3621 58 V 4.7102 8.8216 124.7132 61.0115 34.2546 174.3887 59 V 4.6130 8.6158 129.2756 62.0917 32.6639 174.7599 60 L 5.3965 9.1904 127.7099 54.1626 44.5406 174.8665 61 E 4.9669 9.3861 120.2682 54.9646 31.7533 175.0329 62 V 4.4736 8.8740 125.1543 61.0414 33.9500 174.3665 63 G 3.1167 7.9823 115.9731 44.0826 0.0000 172.3743 64 F 5.6844 8.5440 118.3720 54.8638 41.9033 173.6806 65 R 4.1131 8.8471 121.9763 56.2478 30.5214 175.9895 66 L 4.4072 8.3022 127.0863 54.3852 42.4124 177.0929 67 E 4.2693 8.7666 122.6439 55.8470 30.5877 176.7497 68 E 4.1709 8.4978 118.4658 56.8348 29.6721 176.8967 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 2 G 8.35 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 3 K 7.77 3.77 0.00 1.55 1.54 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 4 V 8.74 4.47 2.00 0.00 0.00 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 0.96 0.00 0.00 5 Y 8.80 5.01 0.00 3.05 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 6 K 8.14 4.52 0.00 1.52 0.74 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.27 7.81 7 K 8.46 5.01 0.00 1.64 1.63 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 1.43 7.81 8 V 8.75 4.53 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 0.89 0.00 0.00 1.05 0.00 0.00 9 E 8.78 5.00 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 2.22 2.33 0.00 10 L 8.86 4.88 0.00 1.57 1.48 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.75 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 0.86 0.00 0.00 0.94 0.00 0.00 12 G 8.76 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 13 T 7.93 5.80 4.26 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 1.22 0.00 0.00 14 S 8.18 4.64 0.00 3.88 3.77 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 15 E 9.03 4.62 0.00 2.03 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 0.00 2.47 2.30 0.00 16 E 8.66 4.17 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 17 G 7.08 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 0.00 0.00 0.00 18 L 7.41 3.80 0.00 1.55 1.63 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.05 3.89 0.00 1.99 1.96 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 2.38 2.43 0.00 20 A 7.90 3.93 1.33 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 0.00 0.00 0.00 21 A 7.72 3.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.63 3.51 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.29 0.00 0.00 23 Q 8.19 3.88 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 24 A 8.01 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.85 1.33 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 0.00 0.00 0.00 26 L 7.86 3.82 0.00 1.71 1.63 0.51 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.20 3.92 1.32 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 0.00 0.00 28 R 7.98 3.92 0.00 1.92 2.02 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.18 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 30 R 7.92 3.88 0.00 1.82 2.14 0.00 3.24 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.68 4.16 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 32 T 7.70 4.52 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 33 L 7.71 4.54 0.00 1.39 0.88 0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.91 4.51 0.00 1.65 1.47 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.54 4.19 0.00 3.67 3.54 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.49 0.00 1.67 1.66 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.16 5.20 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 38 W 7.83 5.54 0.00 3.28 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 39 F 8.40 5.36 0.00 3.02 2.93 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 40 E 9.31 4.75 0.00 1.97 1.91 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 2.34 2.50 0.00 41 V 8.63 4.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.12 0.00 0.00 42 K 9.53 4.45 0.00 1.77 1.86 0.00 1.75 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 1.46 1.58 7.81 43 E 8.02 4.86 0.00 1.88 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 2.30 2.34 0.00 44 I 8.45 5.05 1.92 0.00 0.00 0.90 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 0.66 0.99 0.00 0.00 45 A 8.95 4.70 1.21 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 46 G 8.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.89 4.77 4.20 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 1.18 0.00 0.00 48 I 8.23 4.87 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.91 0.00 0.00 49 G 8.84 4.28 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 0.00 50 E 9.03 3.86 0.00 1.96 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 0.00 2.30 2.25 0.00 51 A 7.95 4.62 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 52 G 7.39 3.99 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 0.00 0.00 0.00 53 V 8.19 3.80 1.77 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 -0.30 0.00 0.00 0.67 0.00 0.00 54 K 8.79 4.14 0.00 1.84 1.69 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.61 4.84 0.00 2.11 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 56 Y 9.21 4.70 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.56 5.07 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.82 4.71 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 1.02 0.00 0.00 0.96 0.00 0.00 59 V 8.62 4.61 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 0.93 0.00 0.00 1.00 0.00 0.00 60 L 9.19 5.40 0.00 1.97 1.77 0.90 0.50 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 61 E 9.39 4.97 0.00 1.87 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 2.28 2.42 0.00 62 V 8.87 4.47 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 0.99 0.00 0.00 0.90 0.00 0.00 63 G 7.98 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 0.00 0.00 0.00 64 F 8.54 5.68 0.00 3.36 3.05 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 0.00 65 R 8.85 4.11 0.00 1.98 1.95 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 0.00 66 L 8.30 4.41 0.00 1.59 1.54 0.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.77 4.27 0.00 2.00 1.91 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 2.36 2.44 0.00 68 E 8.50 4.17 0.00 1.95 1.84 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 2.26 2.27 0.00