NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2673 8.3049 120.3170 55.3540 33.1065 174.9699 2 M 3.1571 7.6674 115.7734 52.9412 32.1865 175.6332 3 I 3.4854 7.2824 114.0828 59.4160 39.5229 173.5994 4 P 4.3096 0.0000 0.0000 61.8582 31.6598 175.9983 5 I 3.4999 8.1216 124.0198 61.7030 38.5104 171.3401 6 R 3.9647 8.6447 133.8374 55.3729 29.7680 175.7835 7 C 3.8545 8.8814 123.8254 59.1357 32.2247 173.8866 8 F 4.3845 8.2611 126.3942 61.2518 37.9906 176.5034 9 T 3.8483 7.3484 115.7198 66.8975 68.8730 174.6734 10 C 4.2911 8.0362 119.3049 59.8490 42.5072 175.0131 11 G 3.7768 7.4344 105.3196 44.6658 0.0000 174.2222 12 S 4.3234 7.8987 114.8528 57.4927 63.9461 173.3337 13 L 4.3451 8.2645 121.9156 54.9204 42.2145 176.7799 14 I 4.1704 8.3216 123.4537 62.5816 39.3348 177.7164 15 A 3.9692 7.9993 122.9987 55.2591 18.2107 178.5709 16 D 4.6727 8.0895 111.8266 54.7523 39.5285 176.6521 17 K 4.5955 7.8093 118.0189 56.0611 33.3054 177.5059 18 W 4.4625 8.4252 131.2660 60.8412 30.3358 177.8732 19 Q 3.6013 8.3237 117.6210 58.8921 28.0000 177.9441 20 P 4.3836 0.0000 0.0000 65.8408 31.8895 176.8644 21 F 4.2322 8.3377 122.5948 59.8248 39.0018 176.3200 22 I 3.4104 7.6437 113.6446 64.4971 37.2269 178.4007 23 T 3.7531 7.0277 115.3672 66.2241 68.0955 176.5342 24 R 4.0562 7.9430 119.6493 58.3028 29.7531 178.9942 25 V 3.2983 7.2651 117.9576 65.1493 31.8641 176.0105 26 N 5.0971 8.0439 116.1463 52.8791 38.3903 175.4507 27 A 4.4996 7.9776 120.5949 53.2133 24.0100 176.3954 28 G 3.3675 6.5914 103.9700 45.0655 0.0000 172.9334 29 E 4.6287 7.1279 120.4515 53.2890 32.1128 175.7910 30 N 4.4064 8.4514 121.5677 53.1124 39.4329 173.9799 31 P 4.4603 0.0000 0.0000 64.6715 31.4513 178.7160 32 G 3.9123 8.2384 105.9687 47.6659 0.0000 175.8866 33 K 4.1538 8.0103 120.4114 59.1851 32.2592 179.1830 34 V 3.5755 7.4978 118.7187 66.5133 29.8213 178.1592 35 L 4.1690 7.6869 118.6149 57.5658 41.2010 179.0644 36 D 4.4871 7.8275 118.4334 57.6580 40.9172 178.1902 37 D 4.4925 8.0132 116.2808 55.9189 41.5533 176.3356 38 L 4.3801 7.3216 118.6495 53.9741 42.4480 176.8316 39 G 3.8022 8.3153 107.6349 45.7954 0.0000 174.5144 40 V 4.0870 6.9812 120.5078 60.9130 33.0727 174.6451 41 K 3.9083 9.0471 130.1610 58.1903 30.5943 179.3229 42 R 4.4910 8.8828 122.7666 55.8803 32.2047 176.9409 43 Y 4.4320 8.8796 117.7515 58.7631 37.4377 177.9018 44 C 3.8681 7.8165 117.6100 61.4114 30.2558 174.6986 45 C 4.3330 7.8121 115.9455 57.0097 35.7547 175.0620 46 R 4.0634 7.4140 121.3757 59.0696 29.8067 177.8371 47 R 3.8428 7.4013 117.8562 59.8681 29.6207 177.7501 48 M 3.8718 7.8960 117.1815 58.4318 32.2313 178.0548 49 L 4.1848 7.4337 118.0934 57.3172 42.0679 179.0377 50 L 4.2383 7.4853 117.2107 57.1566 41.5969 178.2108 51 S 4.6989 7.3802 109.5546 58.0117 63.4059 173.5824 52 H 4.5626 8.4416 121.3133 56.4767 30.3909 174.6461 53 I 4.2918 6.8910 119.9849 61.9589 40.6500 174.4199 54 D 4.0850 7.4577 118.8701 54.8309 38.1794 173.5789 55 I 4.1599 7.2468 111.2802 61.1327 38.2074 178.2440 56 I 3.9411 7.5215 122.3703 62.9453 37.9956 177.2575 57 S 4.2869 7.9721 112.9831 60.0711 63.6266 175.3065 58 E 4.3953 7.9134 119.5064 57.5477 29.6103 177.4559 59 V 4.1743 7.5869 115.7872 63.2050 32.4843 176.9037 60 I 3.8867 7.1610 117.9157 64.2610 38.5922 176.4501 61 H 4.6556 7.7639 114.1210 55.7749 28.4521 174.7697 62 Y 4.5323 7.4076 116.0913 60.8340 42.3604 177.2562 63 T 3.3101 8.0619 114.4810 64.5200 66.6563 171.9736 64 R 4.1753 8.4888 130.1169 57.7299 30.1780 174.1854 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 4.27 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 M 7.67 3.16 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 3 I 7.28 3.49 1.57 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 1.06 -0.26 0.16 0.00 0.00 4 P 0.00 4.31 0.00 1.85 2.12 0.00 3.50 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.89 0.00 5 I 8.12 3.50 1.82 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 1.37 0.76 0.87 0.00 0.00 6 R 8.64 3.96 0.00 1.95 1.90 0.00 3.25 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 7 C 8.88 3.85 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.38 0.00 3.07 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 9 T 7.35 3.85 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 1.14 0.00 0.00 10 C 8.04 4.29 0.00 3.04 3.16 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 11 G 7.43 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 12 S 7.90 4.32 0.00 3.98 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 13 L 8.26 4.35 0.00 1.62 1.63 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.32 4.17 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.79 0.00 0.00 15 A 8.00 3.97 1.26 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 0.00 0.00 0.00 16 D 8.09 4.67 0.00 2.82 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 17 K 7.81 4.60 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.34 7.81 18 W 8.43 4.46 0.00 3.27 3.26 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 0.00 19 Q 8.32 3.60 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 20 P 0.00 4.38 0.00 2.24 2.18 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 21 F 8.34 4.23 0.00 3.30 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 22 I 7.64 3.41 1.60 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.36 1.14 0.00 0.00 23 T 7.03 3.75 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 1.11 0.00 0.00 24 R 7.94 4.06 0.00 1.93 1.86 0.00 3.08 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 25 V 7.27 3.30 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 0.91 0.00 0.00 0.08 0.00 0.00 26 N 8.04 5.10 0.00 2.72 2.74 0.00 0.00 6.75 7.38 0.00 0.00 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 A 7.98 4.50 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 28 G 6.59 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.13 4.63 0.00 1.78 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 2.19 2.17 0.00 30 N 8.45 4.41 0.00 2.79 2.68 0.00 0.00 6.70 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 31 P 0.00 4.46 0.00 2.51 2.16 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 32 G 8.24 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 33 K 8.01 4.15 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.50 7.81 34 V 7.50 3.58 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 1.13 0.00 0.00 0.93 0.00 0.00 35 L 7.69 4.17 0.00 2.01 1.74 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.83 4.49 0.00 2.90 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 37 D 8.01 4.49 0.00 2.67 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 38 L 7.32 4.38 0.00 1.75 1.62 1.04 0.97 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 39 G 8.32 3.80 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 0.00 0.00 0.00 40 V 6.98 4.09 2.25 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 0.82 0.00 0.00 0.91 0.00 0.00 41 K 9.05 3.91 0.00 1.78 1.56 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.39 7.81 42 R 8.88 4.49 0.00 1.84 1.85 0.00 3.15 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 43 Y 8.88 4.43 0.00 3.28 3.18 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 44 C 7.82 3.87 0.00 2.97 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 45 C 7.81 4.33 0.00 2.91 3.09 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 0.00 0.00 0.00 0.00 46 R 7.41 4.06 0.00 2.05 1.94 0.00 3.21 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 47 R 7.40 3.84 0.00 2.08 2.09 0.00 3.23 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 48 M 7.90 3.87 0.00 1.83 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 49 L 7.43 4.18 0.00 0.91 1.17 0.62 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.49 4.24 0.00 1.79 1.85 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.38 4.70 0.00 3.97 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 52 H 8.44 4.56 0.00 3.19 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 6.89 4.29 1.78 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 1.31 0.79 0.87 0.00 0.00 54 D 7.46 4.08 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 4.16 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.89 0.00 0.00 56 I 7.52 3.94 1.91 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 1.37 1.33 0.98 0.00 0.00 57 S 7.97 4.29 0.00 4.10 4.06 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 0.00 0.00 0.00 58 E 7.91 4.40 0.00 2.12 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 0.00 2.38 2.36 0.00 59 V 7.59 4.17 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 0.83 0.00 0.00 0.96 0.00 0.00 60 I 7.16 3.89 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.84 1.03 0.00 0.00 61 H 7.76 4.66 0.00 3.07 3.26 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.41 4.53 0.00 3.12 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 63 T 8.06 3.31 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 1.23 0.00 0.00 64 R 8.49 4.18 0.00 1.73 1.73 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00