NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4670 8.2893 120.3322 54.8642 34.1350 175.3050 2 N 4.9393 7.9044 114.4194 50.8669 39.6263 172.2353 3 L 4.6344 8.8732 120.7538 53.2331 45.6211 177.4359 4 R 4.3632 9.0022 119.4831 55.7846 30.8083 176.2463 5 W 4.9000 8.9215 125.2612 55.3531 30.2403 177.0888 6 T 4.2173 8.3473 115.2269 61.2269 69.4890 175.6634 7 S 4.2114 8.7854 118.8730 62.0464 62.6914 176.9834 8 E 4.0148 8.2032 120.4932 59.2570 29.2658 179.0463 9 A 4.1014 7.8202 120.9918 55.0782 18.5686 179.6140 10 K 3.9082 8.6943 117.4860 60.2105 31.9630 179.6441 11 T 3.9324 7.6844 114.1772 66.5959 68.7648 176.6095 12 K 4.1671 8.4843 120.7601 59.3978 32.1217 179.1501 13 L 4.1238 8.5925 121.0946 58.1305 41.7476 179.2314 14 K 4.0918 7.7138 117.2394 59.1685 32.0572 178.5510 15 N 4.5506 7.8225 114.7635 54.0347 38.9617 175.3878 16 I 4.2061 6.9198 121.4091 59.5380 38.3884 174.1109 17 P 4.4047 0.0000 0.0000 62.7877 31.9988 177.2067 18 F 4.1722 9.0232 124.4376 61.3328 39.4977 177.2123 19 F 3.6589 8.0385 117.7560 59.4657 39.0270 175.6345 20 A 4.6305 7.9973 121.3669 51.7238 19.6433 178.1403 21 R 3.9897 7.7546 119.4796 60.1526 30.0417 178.9878 22 S 4.0808 7.8814 112.4972 61.2758 62.4131 175.6504 23 Q 3.9430 8.0703 121.4962 59.2969 28.8122 178.1852 24 A 4.3540 8.6511 121.9521 55.1512 18.5051 179.2840 25 K 4.1918 8.8128 118.3645 59.9274 32.2998 178.7000 26 A 4.1042 8.1872 120.8577 55.2228 18.2199 179.9101 27 R 3.8862 7.9306 116.0404 59.4369 30.2335 179.1763 28 I 3.6095 8.3480 119.8191 64.7058 37.1889 178.4995 29 E 3.8914 8.3375 119.0866 59.1980 29.2080 179.2351 30 Q 4.0031 8.0143 119.4397 58.9631 29.0756 178.0898 31 L 3.9478 8.2598 120.4329 57.6356 41.6089 179.2620 32 A 4.2559 7.8980 122.0735 54.7222 18.4082 179.9034 33 R 4.0922 7.7877 115.9675 59.0298 29.8870 178.9212 34 Q 3.9969 7.9072 118.6577 58.0851 29.1164 176.8789 35 A 4.4310 7.5123 118.8155 50.5901 20.0492 176.1005 36 E 3.7365 7.7588 115.6394 57.3608 27.6987 174.4409 37 Q 4.6782 8.2403 115.5493 54.6095 31.1580 175.8060 38 D 4.5976 8.4700 118.6738 55.3071 42.4326 175.7060 39 I 4.8584 7.5514 119.1949 59.3941 39.4537 175.3167 40 V 4.1144 8.6670 121.0209 60.1237 33.4395 176.0226 41 T 4.3513 8.0863 114.8112 59.3977 70.7762 173.9077 42 P 4.3830 0.0000 0.0000 65.6772 31.0697 178.4566 43 E 3.9457 7.6992 118.8479 59.2942 29.4459 179.0642 44 L 3.9256 7.7224 118.6635 57.6419 41.7576 179.6365 45 V 3.6085 7.6528 117.7548 65.9412 31.5388 177.4969 46 E 3.9251 8.4867 119.3165 59.3028 29.3996 178.5260 47 Q 3.8919 8.1180 117.8681 59.2348 28.7200 179.1965 48 A 3.8999 7.7100 122.4708 54.4487 18.4214 179.6938 49 R 3.9353 7.7608 117.1590 59.2805 30.0517 178.5665 50 L 3.9914 8.3704 120.9396 57.9264 41.9895 178.6538 51 E 3.9058 8.2695 118.0162 59.5919 29.1837 179.2382 52 F 4.7058 7.5126 117.8268 60.1887 39.2477 177.6287 53 G 3.7773 8.0531 105.2169 47.8598 0.0000 175.9110 54 Q 4.2415 8.2287 120.1444 58.1810 28.9123 177.7443 55 L 4.6477 7.8836 118.2008 55.4528 41.1059 176.2599 56 E 4.5690 7.7678 118.8124 55.3491 30.9900 174.5798 57 H 4.7830 8.7479 125.4758 55.7974 29.0405 174.2592 58 H 4.3764 8.1182 121.6532 57.2375 29.9860 175.2232 59 H 4.4730 7.8703 122.3722 55.0209 27.8359 175.2167 60 H 4.5676 7.6754 129.5235 53.3889 27.5336 173.5220 61 H 4.4599 6.7245 115.2899 56.5422 30.8888 174.7520 62 H 4.4447 8.7477 114.1854 55.7263 28.4957 173.4270 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 8.29 4.47 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 2 N 7.90 4.94 0.00 3.09 2.88 0.00 0.00 6.14 6.99 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 3 L 8.87 4.63 0.00 1.42 1.79 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.00 4.36 0.00 1.80 1.91 0.00 3.11 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 5 W 8.92 4.90 0.00 3.13 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 6 T 8.35 4.22 4.27 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 1.24 0.00 0.00 7 S 8.79 4.21 0.00 3.92 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 8 E 8.20 4.01 0.00 2.08 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 2.42 2.46 0.00 9 A 7.82 4.10 1.48 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 10 K 8.69 3.91 0.00 2.03 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.89 7.81 11 T 7.68 3.93 4.42 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 1.23 0.00 0.00 12 K 8.48 4.17 0.00 2.02 1.94 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.64 7.81 13 L 8.59 4.12 0.00 1.99 1.82 1.03 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.71 4.09 0.00 1.98 1.86 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.74 7.81 15 N 7.82 4.55 0.00 2.95 2.91 0.00 0.00 7.07 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 16 I 6.92 4.21 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.04 0.00 0.00 17 P 0.00 4.40 0.00 2.31 2.17 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 18 F 9.02 4.17 0.00 2.92 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 19 F 8.04 3.66 0.00 3.02 2.97 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 20 A 8.00 4.63 1.15 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 0.00 0.00 21 R 7.75 3.99 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 22 S 7.88 4.08 0.00 3.82 3.78 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 23 Q 8.07 3.94 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 1.87 2.44 0.00 24 A 8.65 4.35 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 25 K 8.81 4.19 0.00 1.97 2.10 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.88 1.94 7.81 26 A 8.19 4.10 1.48 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 27 R 7.93 3.89 0.00 2.00 1.94 0.00 3.39 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 28 I 8.35 3.61 2.04 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.48 0.00 0.00 29 E 8.34 3.89 0.00 2.08 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 2.63 0.00 30 Q 8.01 4.00 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 31 L 8.26 3.95 0.00 1.83 1.63 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.90 4.26 1.30 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 33 R 7.79 4.09 0.00 1.98 1.97 0.00 3.26 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 34 Q 7.91 4.00 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 35 A 7.51 4.43 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 36 E 7.76 3.74 0.00 2.14 2.01 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 2.36 2.36 0.00 37 Q 8.24 4.68 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 38 D 8.47 4.60 0.00 2.60 2.73 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 39 I 7.55 4.86 1.82 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 1.33 0.57 0.91 0.00 0.00 40 V 8.67 4.11 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 -0.27 0.00 0.00 41 T 8.09 4.35 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 1.16 0.00 0.00 42 P 0.00 4.38 0.00 2.30 2.44 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 43 E 7.70 3.95 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 2.31 2.33 0.00 44 L 7.72 3.93 0.00 1.80 1.56 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.65 3.61 2.29 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 1.28 0.00 0.00 1.15 0.00 0.00 46 E 8.49 3.93 0.00 2.26 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 0.00 2.30 2.39 0.00 47 Q 8.12 3.89 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 48 A 7.71 3.90 1.22 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 0.00 0.00 49 R 7.76 3.94 0.00 2.06 2.13 0.00 3.15 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 50 L 8.37 3.99 0.00 1.85 1.59 0.98 0.85 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 51 E 8.27 3.91 0.00 2.11 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 1.95 1.57 0.00 52 F 7.51 4.71 0.00 3.16 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 53 G 8.05 3.78 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 0.00 0.00 0.00 54 Q 8.23 4.24 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 55 L 7.88 4.65 0.00 1.86 1.85 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.77 4.57 0.00 2.17 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 2.23 2.41 0.00 57 H 8.75 4.78 0.00 3.15 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.12 4.38 0.00 3.30 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.87 4.47 0.00 3.27 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.68 4.57 0.00 3.28 3.40 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 6.72 4.46 0.00 3.21 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.75 4.44 0.00 3.19 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00