NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4750 8.1627 118.3266 55.3321 33.7596 173.1617 2 Q 4.9046 8.2916 119.8083 52.4275 31.7713 172.6234 3 I 4.8074 9.0096 120.0217 59.0673 42.1735 173.4811 4 F 5.3753 9.0659 120.3166 55.6880 42.9434 174.7326 5 V 4.8456 8.5443 120.7175 61.2319 34.9401 174.2550 6 K 4.9885 8.9529 128.1857 55.4631 33.6216 177.3601 7 T 4.4508 8.6574 116.4789 60.4065 70.2230 175.4601 8 L 4.1155 8.4119 120.6227 57.2387 41.5614 178.2421 9 T 4.2557 7.5816 106.9209 61.3253 69.3105 175.7182 10 G 4.0064 8.0229 111.6709 44.9848 0.0000 174.2164 11 K 4.1894 7.5952 118.3347 56.9483 33.3986 175.7483 12 T 5.1604 8.3894 118.0311 61.9972 70.3008 173.8484 13 I 4.6475 8.6163 119.6168 59.4934 41.0171 174.3647 14 T 4.8780 8.3729 119.0801 61.8506 70.8264 173.9210 15 L 4.7432 8.3464 124.4448 52.8357 45.9930 175.0582 16 E 4.7909 8.7173 123.6353 54.8889 30.6350 175.0982 17 V 4.7095 8.8086 119.7295 59.8705 36.3063 174.6497 18 E 4.5775 9.5397 121.1049 54.2209 31.5464 175.8186 19 P 4.1415 0.0000 0.0000 65.5509 31.5333 178.0191 20 S 4.5374 7.7908 109.2785 57.8299 63.4961 173.7762 21 D 4.4477 8.1371 122.3858 55.0135 41.2540 176.3604 22 T 4.7515 8.1818 113.2156 61.2149 71.3718 176.0273 23 I 3.7385 8.4147 123.0088 64.3875 37.0488 178.4721 24 E 3.9248 8.1456 120.1350 59.3623 29.4595 178.6528 25 N 4.3259 8.0263 116.3599 56.2461 38.5426 177.5794 26 V 3.5636 7.7026 119.6332 66.0098 31.6542 178.2410 27 K 4.3044 8.6622 119.6533 58.8159 31.8947 179.2054 28 A 3.9987 7.9870 121.0842 55.1335 18.3326 179.8582 29 K 3.9508 8.0984 117.0356 59.6632 32.0328 179.7185 30 I 3.7491 8.0052 120.2941 64.1395 36.8847 178.2122 31 Q 4.2066 8.0207 121.8926 58.8381 28.6808 178.2035 32 D 4.3584 7.7891 118.4690 57.1473 40.8986 178.7609 33 K 4.1270 8.0273 117.9486 59.1641 32.3387 178.0070 34 E 4.4219 8.5689 115.2515 55.6729 30.7926 177.3347 35 G 3.9323 8.4760 107.6064 45.0150 0.0000 173.6628 36 I 3.9443 7.4343 121.9890 59.7842 37.8465 173.6964 37 P 4.3888 0.0000 0.0000 62.0457 32.1063 175.2111 38 P 4.2337 0.0000 0.0000 65.8401 31.3573 178.2961 39 D 4.3867 8.1301 115.4096 55.6890 39.3034 176.7706 40 Q 4.4547 7.9908 117.1516 55.6110 29.2423 175.0461 41 Q 4.5828 7.9581 118.6842 54.2810 30.5621 174.4968 42 R 4.6970 8.2501 120.4290 54.6401 33.4557 173.5456 43 L 5.2645 8.5754 125.6784 53.0833 44.7245 175.3553 44 I 5.0678 8.7886 123.3953 59.4865 41.2952 174.3329 45 F 5.0340 9.0261 127.6898 56.6936 42.4668 174.5798 46 A 3.4736 9.1780 130.3386 53.1631 15.7735 177.4662 47 G 3.8887 8.0970 106.2668 46.1152 0.0000 173.5338 48 K 4.4916 8.0060 120.6294 54.3607 33.7420 175.1835 49 Q 4.5038 8.5522 125.5110 55.8549 29.7134 174.9503 50 L 3.9038 8.5238 127.4705 53.9013 42.9295 176.1640 51 E 4.4137 9.4320 123.9381 55.3651 30.9416 177.0731 52 D 4.3769 9.2034 124.3180 57.7290 41.0010 178.7595 53 G 3.8778 8.0431 103.9305 46.2591 0.0000 173.2236 54 R 4.6508 8.0195 120.0973 55.1773 32.9518 175.4005 55 T 4.9600 8.9298 111.0229 60.0728 71.4792 175.6860 56 L 4.1713 8.6584 122.3190 58.0971 42.1833 180.3900 57 S 4.1849 8.3144 113.4234 61.0796 63.1944 176.1813 58 D 4.2352 7.6886 120.0735 56.7618 40.5107 176.6526 59 Y 4.5918 7.7225 113.8033 57.0089 38.2585 174.8900 60 N 4.2048 7.9102 116.0197 54.2892 36.6066 174.6121 61 I 3.5072 7.6290 119.5568 60.5285 37.6157 176.3697 62 Q 4.5041 8.3107 124.2962 53.6256 30.6022 175.0775 63 K 4.0869 8.2542 117.2862 58.4602 32.7073 177.0240 64 E 4.3255 9.3982 119.5995 56.9727 28.1001 175.0653 65 S 4.5822 7.9646 115.7934 59.0170 64.3275 173.2088 66 T 5.1635 8.6547 118.3731 62.0217 70.7260 173.5920 67 L 4.9812 9.0436 126.6669 53.6365 44.5159 175.2428 68 H 5.2065 9.2194 119.1636 54.1930 31.5406 173.3500 69 L 5.1210 8.4384 123.7266 53.6587 44.0338 175.7927 70 V 4.6710 8.8352 118.3506 59.1859 36.6962 174.9474 71 L 4.1574 8.3741 121.2117 56.2028 42.0922 177.9457 72 R 4.2383 8.5134 118.9651 56.8227 29.6309 176.3664 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 8.16 4.48 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 Q 8.29 4.90 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 1.65 2.20 0.00 3 I 9.01 4.81 1.80 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 1.10 0.56 0.81 0.00 0.00 4 F 9.07 5.38 0.00 3.01 2.96 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 5 V 8.54 4.85 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 8.95 4.99 0.00 1.88 1.80 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 7 T 8.66 4.45 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 1.23 0.00 0.00 8 L 8.41 4.12 0.00 1.66 1.78 0.93 0.85 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 9 T 7.58 4.26 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 1.22 0.00 0.00 10 G 8.02 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 0.00 0.00 0.00 11 K 7.60 4.19 0.00 2.02 1.96 0.00 1.29 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 12 T 8.39 5.16 4.29 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 1.35 0.00 0.00 13 I 8.62 4.65 1.88 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 0.76 0.97 0.00 0.00 14 T 8.37 4.88 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 0.94 0.00 0.00 15 L 8.35 4.74 0.00 1.50 1.40 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.79 0.00 1.88 1.80 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 2.17 2.34 0.00 17 V 8.81 4.71 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 0.69 0.00 0.00 0.92 0.00 0.00 18 E 9.54 4.58 0.00 1.84 1.82 0.00 0.00 0.00 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 2.25 0.00 19 P 0.00 4.14 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 S 7.79 4.54 0.00 3.95 3.92 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 21 D 8.14 4.45 0.00 2.89 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 22 T 8.18 4.75 4.44 0.00 0.00 0.00 0.00 0.00 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 23 I 8.41 3.74 2.13 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 1.77 1.09 0.89 0.00 0.00 24 E 8.15 3.92 0.00 2.19 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 2.31 2.36 0.00 25 N 8.03 4.33 0.00 3.04 2.84 0.00 0.00 6.68 7.55 0.00 0.00 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 7.70 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 27 K 8.66 4.30 0.00 1.96 1.84 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.51 7.81 28 A 7.99 4.00 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 29 K 8.10 3.95 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 8.01 3.75 2.15 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 1.40 0.79 0.94 0.00 0.00 31 Q 8.02 4.21 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 32 D 7.79 4.36 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 33 K 8.03 4.13 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.61 7.81 34 E 8.57 4.42 0.00 1.90 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 2.25 2.37 0.00 35 G 8.48 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 36 I 7.43 3.94 1.87 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 1.47 0.70 0.91 0.00 0.00 37 P 0.00 4.39 0.00 2.51 2.18 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 38 P 0.00 4.23 0.00 2.19 2.16 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.13 4.39 0.00 2.78 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 40 Q 7.99 4.45 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 7.96 4.58 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 8.25 4.70 0.00 2.01 1.88 0.00 3.20 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.58 5.26 0.00 1.57 1.50 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.79 5.07 1.90 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 1.12 1.04 0.92 0.00 0.00 45 F 9.03 5.03 0.00 2.98 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 46 A 9.18 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.10 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.01 4.49 0.00 1.94 1.80 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.54 7.81 49 Q 8.55 4.50 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.52 3.90 0.00 1.37 1.15 0.75 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.43 4.41 0.00 2.05 1.94 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 2.37 2.42 0.00 52 D 9.20 4.38 0.00 2.75 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 53 G 8.04 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 0.00 0.00 0.00 54 R 8.02 4.65 0.00 2.16 1.88 0.00 3.33 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 55 T 8.93 4.96 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 1.28 0.00 0.00 56 L 8.66 4.17 0.00 1.85 1.70 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.18 0.00 4.01 4.16 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 58 D 7.69 4.24 0.00 2.55 2.30 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 59 Y 7.72 4.59 0.00 3.06 3.10 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 0.00 0.00 0.00 0.00 60 N 7.91 4.20 0.00 3.04 3.04 0.00 0.00 6.92 6.85 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 61 I 7.63 3.51 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.52 0.00 0.00 62 Q 8.31 4.50 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 63 K 8.25 4.09 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.51 7.81 64 E 9.40 4.33 0.00 2.21 2.32 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 2.36 2.64 0.00 65 S 7.96 4.58 0.00 3.75 3.83 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 66 T 8.65 5.16 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 1.16 0.00 0.00 67 L 9.04 4.98 0.00 1.58 1.59 0.85 0.72 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 68 H 9.22 5.21 0.00 3.19 3.18 0.00 5.58 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 69 L 8.44 5.12 0.00 1.65 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.84 4.67 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 0.76 0.00 0.00 0.98 0.00 0.00 71 L 8.37 4.16 0.00 1.63 1.61 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.24 0.00 1.99 2.00 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00