NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2337 8.3044 120.3443 55.1633 33.2712 174.7059 2 K 4.4022 8.2263 125.4701 53.9433 33.6364 174.1303 3 I 4.0332 8.8505 128.9542 61.1122 38.9113 175.5801 4 T 4.7743 8.0768 113.2643 59.3040 71.6208 175.1229 5 K 4.1619 8.4617 121.3251 59.3633 32.9695 178.3911 6 D 4.4128 7.9972 118.1291 56.4034 41.6799 176.2247 7 M 4.2847 7.7818 119.2222 55.2521 32.6846 175.5106 8 I 4.3839 8.1229 122.6684 60.7605 39.0890 177.1369 9 I 3.4635 8.0357 125.8419 64.6193 36.8074 178.6473 10 A 3.9682 7.5610 119.7904 55.1129 18.4120 178.8756 11 D 4.4140 7.8925 116.2805 57.3329 41.4409 178.3632 12 V 3.7520 8.2011 119.1542 66.1407 31.3544 178.0280 13 L 4.5575 7.8955 118.8909 57.2574 41.4406 179.1939 14 Q 4.2078 7.8394 117.5554 58.9493 28.6952 178.0700 15 M 4.3577 7.9997 118.8558 57.1983 32.5620 176.4640 16 D 4.7216 8.0648 116.9615 53.2728 44.9495 176.3446 17 R 4.0295 8.8176 125.5786 58.9100 30.3930 178.2438 18 G 4.1948 8.8312 104.7515 45.9432 0.0000 175.0259 19 T 3.4441 7.6413 110.9698 63.1397 69.0036 176.3876 20 A 4.2293 7.6702 124.9474 54.9743 18.3978 177.8130 21 P 4.1624 0.0000 0.0000 65.6768 31.0705 178.6918 22 I 3.5360 7.3020 120.0838 64.2048 36.9992 178.0891 23 F 4.1905 7.6928 118.0626 60.7904 38.8372 177.6406 24 I 3.7443 8.1752 119.6150 64.2703 36.6104 177.8445 25 N 4.2670 7.9144 117.2683 56.6910 38.8818 175.8641 26 N 4.7276 7.7132 114.1350 53.2694 38.9217 175.7513 27 G 4.1403 7.6681 109.4453 45.5670 0.0000 174.0387 28 M 4.0827 7.9820 118.7812 55.1634 32.3761 176.1210 29 H 4.5689 8.2713 122.4045 54.0084 29.7624 173.3630 30 C 4.1484 8.2433 121.3407 58.3481 28.8911 172.9900 31 L 4.5887 7.8776 125.3935 53.2313 45.1217 176.8173 32 G 4.0324 8.3529 112.7677 45.5809 0.0000 172.4805 33 C 4.8321 8.0390 118.9500 57.7016 33.4004 174.0439 34 P 4.2212 0.0000 0.0000 66.1957 31.0083 179.3700 35 S 4.5737 7.9811 109.4658 58.8708 62.2592 174.4222 36 S 4.5685 7.9348 113.9420 59.7659 67.6856 174.2921 37 M 4.2918 8.2896 119.7084 56.3586 33.4101 178.6763 38 G 3.4794 7.9955 105.8121 48.3374 0.0000 173.7391 39 E 4.2963 8.4296 120.0104 55.0882 30.6753 176.2741 40 S 4.7034 8.2055 115.5295 58.1190 64.7608 175.5136 41 I 3.7550 8.5390 125.5379 64.8535 36.8777 178.6207 42 E 3.9655 8.5448 118.5552 59.4711 28.7250 178.6543 43 D 4.2523 8.0491 118.1580 57.1573 41.0341 177.9859 44 A 4.0552 8.1911 121.3484 55.1624 18.2596 179.4035 45 C 4.1264 8.4500 115.3405 63.0553 28.0356 176.0057 46 A 4.0235 8.2397 122.4983 55.1704 17.6171 179.7194 47 V 3.6141 7.2850 114.8230 66.4278 31.7688 177.2531 48 H 4.7151 7.7657 111.0362 54.6079 28.8652 175.3301 49 G 3.9723 7.5784 108.4351 46.5632 0.0000 174.5424 50 I 4.0270 7.8287 119.8714 60.6405 37.9939 177.3276 51 D 4.6103 8.3695 122.7707 53.2025 39.3666 176.5407 52 A 4.0289 8.2255 127.0176 54.4116 18.5635 178.4748 53 D 4.2772 8.0846 116.3260 57.6017 41.3300 178.6375 54 K 3.9841 8.3771 118.8553 59.1682 32.0705 178.9470 55 L 3.8611 8.0100 120.7303 58.3524 41.9206 179.2410 56 V 3.5934 8.1103 118.2712 65.8648 31.3519 177.9506 57 K 3.9350 7.7944 118.3050 59.7200 31.9334 179.0768 58 E 3.9593 8.2861 118.6469 59.2732 29.4510 179.4026 59 L 3.9145 7.9985 118.9866 58.0639 41.6707 179.0186 60 N 4.4714 8.5883 116.5827 56.4412 38.4453 176.8958 61 E 3.9646 8.6182 119.9610 59.9926 29.5840 178.7805 62 Y 4.0580 8.1597 119.0253 61.0863 38.7513 178.3949 63 F 3.9646 8.1744 117.7825 60.6761 39.3921 177.6303 64 E 4.4123 8.6884 119.3484 58.1569 29.0807 179.6335 65 K 3.9073 8.1404 119.5102 59.3605 32.0612 179.3669 66 K 3.8439 7.5169 118.5720 59.4194 31.7784 178.9615 67 E 4.0434 8.4523 117.9957 58.0370 29.0220 178.7198 68 V 3.9515 6.6531 115.5082 64.7478 32.5200 177.2512 69 L 4.1054 7.7618 117.2410 57.9022 41.6546 177.1243 70 E 4.1302 8.1770 121.3632 56.6343 29.3762 176.8110 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 4.23 0.00 1.79 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 2 K 8.23 4.40 0.00 1.74 1.65 0.00 1.72 0.00 0.00 2.04 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.59 7.81 3 I 8.85 4.03 1.95 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 1.35 1.17 0.99 0.00 0.00 4 T 8.08 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 K 8.46 4.16 0.00 1.99 2.14 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.66 7.81 6 D 8.00 4.41 0.00 2.65 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 7 M 7.78 4.28 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 8 I 8.12 4.38 1.87 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 1.64 0.96 1.00 0.00 0.00 9 I 8.04 3.46 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 -0.28 0.00 0.00 10 A 7.56 3.97 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 11 D 7.89 4.41 0.00 2.81 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 12 V 8.20 3.75 2.59 0.00 0.00 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 1.22 0.00 0.00 13 L 7.90 4.56 0.00 1.91 1.77 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.84 4.21 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 15 M 8.00 4.36 0.00 1.97 2.48 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.59 0.00 16 D 8.06 4.72 0.00 2.98 2.61 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 17 R 8.82 4.03 0.00 1.92 1.99 0.00 3.37 0.00 0.00 3.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 18 G 8.83 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 0.00 0.00 0.00 19 T 7.64 3.44 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 1.08 0.00 0.00 20 A 7.67 4.23 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 21 P 0.00 4.16 0.00 2.18 2.28 0.00 3.49 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 1.99 1.98 0.00 22 I 7.30 3.54 1.45 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.61 0.00 0.00 23 F 7.69 4.19 0.00 3.20 3.01 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 24 I 8.18 3.74 2.01 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 1.43 1.13 0.92 0.00 0.00 25 N 7.91 4.27 0.00 2.81 3.01 0.00 0.00 7.44 7.42 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 26 N 7.71 4.73 0.00 2.74 2.86 0.00 0.00 7.61 9.07 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 27 G 7.67 4.14 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 0.00 0.00 0.00 28 M 7.98 4.08 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.77 0.00 29 H 8.27 4.57 0.00 3.05 3.19 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.24 4.15 0.00 3.06 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 31 L 7.88 4.59 0.00 1.51 1.53 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.35 4.03 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 0.00 0.00 0.00 33 C 8.04 4.83 0.00 2.98 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 34 P 0.00 4.22 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 35 S 7.98 4.57 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.93 4.57 0.00 3.97 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 37 M 8.29 4.29 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 38 G 8.00 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.43 4.30 0.00 1.99 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 2.38 2.41 0.00 40 S 8.21 4.70 0.00 3.87 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 41 I 8.54 3.76 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.94 1.05 0.00 0.00 42 E 8.54 3.97 0.00 2.18 2.24 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 2.54 2.34 0.00 43 D 8.05 4.25 0.00 2.74 2.80 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 44 A 8.19 4.06 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.45 4.13 0.00 3.18 3.23 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 46 A 8.24 4.02 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 47 V 7.28 3.61 2.34 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 0.83 0.00 0.00 1.05 0.00 0.00 48 H 7.77 4.72 0.00 3.19 3.33 0.00 5.87 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.58 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.83 4.03 1.91 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 1.22 0.63 1.01 0.00 0.00 51 D 8.37 4.61 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.28 0.00 2.81 2.91 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 54 K 8.38 3.98 0.00 1.99 1.83 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.61 7.81 55 L 8.01 3.86 0.00 1.87 1.84 0.68 0.97 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 56 V 8.11 3.59 2.15 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 1.10 0.00 0.00 1.07 0.00 0.00 57 K 7.79 3.94 0.00 1.97 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.71 7.81 58 E 8.29 3.96 0.00 2.08 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 2.30 2.52 0.00 59 L 8.00 3.91 0.00 1.93 1.85 0.85 -0.17 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 60 N 8.59 4.47 0.00 2.93 3.10 0.00 0.00 7.28 7.74 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 61 E 8.62 3.96 0.00 2.02 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 2.36 2.53 0.00 62 Y 8.16 4.06 0.00 2.99 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 63 F 8.17 3.96 0.00 3.31 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 64 E 8.69 4.41 0.00 2.01 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 2.55 2.48 0.00 65 K 8.14 3.91 0.00 1.77 1.76 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.59 7.81 66 K 7.52 3.84 0.00 1.83 1.98 0.00 1.03 0.00 0.00 1.33 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.11 1.13 7.81 67 E 8.45 4.04 0.00 2.02 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 2.63 0.00 68 V 6.65 3.95 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 0.80 0.00 0.00 1.00 0.00 0.00 69 L 7.76 4.11 0.00 1.59 1.68 0.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.18 4.13 0.00 1.99 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 2.32 2.37 0.00