NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5165 8.3049 120.3674 55.3371 33.7226 172.2093 2 I 2.8754 7.3889 123.2582 58.9339 37.7398 169.1395 3 V 3.1305 8.5490 124.9505 61.8763 32.9117 173.6703 4 P 4.2222 0.0000 0.0000 61.9620 31.4511 176.5981 5 V 3.5460 8.2710 124.0369 63.6931 32.0710 172.2800 6 R 3.8456 8.7110 131.7529 55.4732 30.0671 175.7698 7 C 4.0673 8.5881 121.3232 58.9347 32.0487 173.0293 8 F 4.7212 7.7388 122.8018 58.5407 38.3136 177.1681 9 S 4.1416 8.5046 119.8408 62.7560 63.5872 175.8151 10 C 4.2721 8.0276 116.2542 58.3035 41.8331 174.7996 11 G 3.9334 8.2968 105.9474 44.0465 0.0000 173.8144 12 K 4.0033 7.9983 121.6951 55.8295 32.8722 176.1896 13 V 3.8852 8.0962 124.7473 64.1577 31.7779 176.1789 14 V 4.3009 7.9282 120.6554 63.8360 33.7592 174.1423 15 G 3.7664 8.1946 108.7379 47.9174 0.0000 175.0315 16 D 4.5754 8.1675 119.4696 55.8952 40.2562 178.5737 17 K 3.9596 8.2400 118.7230 58.5954 32.0854 177.6353 18 W 4.6619 8.7115 129.8336 59.5268 30.3534 177.0253 19 E 3.7363 8.4380 117.1264 59.9668 29.3202 179.3468 20 S 4.0714 8.2054 114.0737 62.1021 62.6876 176.0209 21 Y 3.9335 8.0806 121.1709 60.7933 38.9304 177.9743 22 L 3.5399 8.3859 121.6377 57.5706 41.8984 178.3894 23 N 4.2660 8.1680 117.6700 56.1115 39.0749 176.5039 24 L 4.1856 7.8072 116.9500 56.1432 41.4509 177.6667 25 L 4.2782 7.6182 118.5175 56.2873 42.7864 178.2876 26 Q 3.8699 7.4832 119.6141 59.2405 29.5173 177.7642 27 E 3.9541 8.0018 117.8059 58.1700 28.8592 178.9326 28 D 4.3010 9.1953 119.2831 57.4454 41.1546 178.8484 29 E 4.0934 8.7265 115.9907 58.7875 25.0234 175.3262 30 L 4.8368 7.7606 123.1081 52.6453 46.2626 175.5725 31 D 4.8795 8.2065 118.2976 52.2730 41.5935 176.3303 32 E 3.1997 8.7986 115.0976 57.3544 30.7514 180.8490 33 G 3.9888 8.4435 109.7061 48.0091 0.0000 175.6763 34 T 3.8418 8.0514 118.4654 66.2886 68.3252 176.5778 35 A 3.9437 7.6828 121.4409 56.0794 18.6451 178.9246 36 L 3.9406 8.5394 115.9389 58.2539 41.4701 179.9097 37 S 3.9374 8.3836 113.8862 62.0643 62.8840 177.3236 38 R 3.9370 7.8813 120.4037 59.2971 29.9428 178.2402 39 L 4.2134 8.6070 118.4858 55.7817 41.7442 177.8485 40 G 4.0487 7.6521 106.1221 45.4192 0.0000 174.5945 41 L 4.1820 7.6016 118.8147 55.0306 39.8875 176.8174 42 K 4.1179 8.4545 124.1468 58.4952 32.8046 177.1555 43 R 4.6482 7.6837 115.6408 54.6036 31.0990 176.5128 44 Y 4.1377 9.4611 118.9275 60.4885 37.3956 177.8500 45 C 3.8779 7.6458 114.8931 61.4083 29.6891 173.5181 46 C 4.5753 7.9112 114.1498 54.7328 35.7215 174.9200 47 R 4.2253 7.5005 120.7233 58.9029 28.8576 178.1727 48 R 3.9450 8.7476 116.6071 59.6210 29.0265 177.9181 49 M 3.7194 8.0726 118.2742 58.9006 31.8875 178.2401 50 I 3.6665 7.4585 118.7809 64.2674 37.2448 178.1199 51 L 4.0265 7.0351 116.4260 57.3967 41.8319 177.3398 52 T 4.3876 7.2812 113.5444 65.1777 70.5973 174.3939 53 H 3.7497 7.5281 119.0508 56.6786 29.9283 174.0505 54 V 4.0269 8.1798 126.5081 61.0351 32.2279 176.2669 55 D 4.6752 8.0581 132.2068 53.5316 39.5283 176.7631 56 L 3.6985 7.9983 123.4785 58.2855 42.0153 179.1921 57 I 4.1447 8.1581 117.7989 64.6482 37.7106 176.9348 58 E 3.9971 7.9596 117.9735 59.6499 29.7660 179.2336 59 K 4.1144 8.8390 118.9681 58.6298 31.9968 179.4608 60 F 4.8461 7.7479 117.3099 60.7404 39.2559 177.0685 61 L 4.2830 8.8626 119.0203 57.6738 41.1857 179.0626 62 R 4.0046 7.2997 113.5842 55.7537 30.0483 175.5588 63 Y 4.2693 8.2918 119.7023 58.8319 35.9519 175.4906 64 N 4.9920 9.1472 126.5960 53.3498 45.7800 171.1332 65 P 4.5026 0.0000 0.0000 62.8678 31.7191 176.1674 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 4.52 0.00 2.04 2.31 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 2.52 2.71 0.00 2 I 7.39 2.88 1.82 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 1.19 0.15 0.82 0.00 0.00 3 V 8.55 3.13 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 0.74 0.00 0.00 0.38 0.00 0.00 4 P 0.00 4.22 0.00 1.75 1.73 0.00 3.45 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 5 V 8.27 3.55 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 0.79 0.00 0.00 0.91 0.00 0.00 6 R 8.71 3.85 0.00 1.98 2.07 0.00 3.26 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 C 8.59 4.07 0.00 2.80 2.84 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 0.00 0.00 0.00 8 F 7.74 4.72 0.00 3.06 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 9 S 8.50 4.14 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.03 4.27 0.00 3.08 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 11 G 8.30 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 12 K 8.00 4.00 0.00 1.79 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.10 3.89 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 7.93 4.30 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 0.71 0.00 0.00 0.96 0.00 0.00 15 G 8.19 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 0.00 0.00 0.00 16 D 8.17 4.58 0.00 2.96 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 17 K 8.24 3.96 0.00 1.93 2.02 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.64 7.81 18 W 8.71 4.66 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 3.74 0.00 2.08 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 2.55 2.60 0.00 20 S 8.21 4.07 0.00 4.06 3.94 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 0.00 0.00 0.00 21 Y 8.08 3.93 0.00 2.91 3.17 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 0.00 22 L 8.39 3.54 0.00 0.63 1.25 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.17 4.27 0.00 3.05 2.69 0.00 0.00 7.06 6.21 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 24 L 7.81 4.19 0.00 1.58 1.54 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.62 4.28 0.00 1.61 1.42 0.60 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.48 3.87 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 27 E 8.00 3.95 0.00 2.15 1.69 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 2.35 2.28 0.00 28 D 9.20 4.30 0.00 2.57 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.09 0.00 1.98 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 0.00 2.26 2.54 0.00 30 L 7.76 4.84 0.00 1.78 1.49 0.87 0.94 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 31 D 8.21 4.88 0.00 2.80 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 32 E 8.80 3.20 0.00 2.18 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 2.50 2.58 0.00 33 G 8.44 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 34 T 8.05 3.84 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 1.21 0.00 0.00 35 A 7.68 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 3.94 0.00 1.96 1.72 0.96 0.85 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 37 S 8.38 3.94 0.00 4.05 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 38 R 7.88 3.94 0.00 1.82 2.22 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 8.61 4.21 0.00 1.81 1.77 1.18 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.65 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 0.00 0.00 0.00 0.00 41 L 7.60 4.18 0.00 1.67 1.82 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.45 4.12 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 7.68 4.65 0.00 2.18 2.13 0.00 3.07 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 44 Y 9.46 4.14 0.00 3.20 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 45 C 7.65 3.88 0.00 3.00 2.90 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 46 C 7.91 4.58 0.00 3.16 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 47 R 7.50 4.23 0.00 2.20 2.08 0.00 3.37 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 48 R 8.75 3.95 0.00 2.11 2.27 0.00 2.88 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.08 0.00 49 M 8.07 3.72 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 I 7.46 3.67 1.65 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.24 0.00 0.00 51 L 7.04 4.03 0.00 1.58 1.71 1.00 0.99 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 52 T 7.28 4.39 4.31 0.00 0.00 0.00 0.00 0.00 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 53 H 7.53 3.75 0.00 2.89 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.18 4.03 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 0.97 0.00 0.00 55 D 8.06 4.68 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.00 3.70 0.00 1.76 0.87 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.16 4.14 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.51 1.09 0.00 0.00 58 E 7.96 4.00 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 59 K 8.84 4.11 0.00 1.47 1.70 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.43 7.81 60 F 7.75 4.85 0.00 3.26 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 61 L 8.86 4.28 0.00 1.86 1.78 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.30 4.00 0.00 1.79 1.77 0.00 3.19 0.00 0.00 3.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 63 Y 8.29 4.27 0.00 3.27 2.40 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 64 N 9.15 4.99 0.00 2.70 2.62 0.00 0.00 6.82 7.69 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 65 P 0.00 4.50 0.00 2.22 2.02 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00