NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3503 8.3049 120.3440 55.2679 33.3638 175.1190 2 L 4.3451 8.1414 125.6384 52.6512 43.2643 174.6616 3 C 4.2180 8.9653 123.4021 59.3557 32.7902 174.3255 4 A 3.9734 7.7624 129.5614 54.1473 18.4030 178.7198 5 I 4.1299 7.8388 116.1841 63.5109 37.8180 177.2504 6 S 4.3113 8.0732 112.1598 58.2077 63.6347 175.2469 7 G 3.8378 8.1789 107.9819 45.6391 0.0000 173.3467 8 K 4.4028 7.4292 119.0214 54.0911 34.0710 175.9599 9 V 3.9146 8.0891 120.6409 61.8591 31.4236 174.1659 10 P 4.6229 0.0000 0.0000 62.9264 31.7642 176.4502 11 R 4.2019 9.0503 120.9143 58.2507 30.7220 176.7782 12 R 4.7830 8.1423 116.8514 53.2185 30.9090 172.1259 13 P 4.9353 0.0000 0.0000 62.8676 33.0852 176.5385 14 V 5.0137 8.9945 115.0723 59.6620 36.8417 173.8369 15 L 5.2911 8.9179 123.9069 53.4115 45.2427 175.1545 16 S 4.8963 8.9834 121.5186 57.0168 63.1184 173.2004 17 P 4.4829 0.0000 0.0000 64.8219 31.7850 177.8932 18 K 4.1208 8.0302 118.9214 59.3384 32.0500 178.2740 19 S 4.4626 8.1912 109.6263 57.8293 63.7372 173.8365 20 R 3.9479 7.8766 119.2073 57.8744 28.2820 175.8244 21 T 4.7014 7.7123 111.3116 61.7437 72.9095 173.5285 22 I 4.7406 7.8954 124.5403 60.8174 39.0617 174.8658 23 F 5.1066 9.1789 123.5731 55.3792 44.2410 173.7318 24 E 4.2560 8.8528 121.4578 55.8848 30.3188 176.8239 25 K 3.8519 8.9783 128.2348 60.2811 32.1989 178.8447 26 S 4.1390 8.0747 114.3405 61.6950 62.9090 176.7023 27 L 4.0795 7.8724 121.1748 57.5693 41.4295 179.1243 28 L 3.7847 8.1468 120.4351 58.0523 41.9154 178.8021 29 E 3.9556 8.3934 118.9669 59.3812 29.4050 179.3610 30 Q 3.9738 8.2594 117.7794 59.4291 28.6782 177.9879 31 Y 3.8157 7.9742 121.3081 60.2558 38.7421 178.2243 32 V 3.6072 8.1320 119.3863 65.9528 31.4604 178.1344 33 K 3.9206 8.0831 117.4136 59.5091 31.9139 178.8652 34 D 4.4004 7.9508 118.4374 56.9859 40.9277 177.9984 35 T 4.3409 7.5447 107.0947 60.3630 70.3850 175.4296 36 G 3.8939 8.2639 109.7189 45.7643 0.0000 172.4273 37 N 5.5337 7.8160 115.0986 50.8182 42.7666 173.5104 38 D 4.5090 9.0767 120.3313 53.2237 41.7618 175.7435 39 P 3.8192 0.0000 0.0000 64.8093 31.6992 177.3046 40 I 4.1388 8.3276 119.8663 63.2086 37.7936 176.9170 41 T 4.1744 8.1098 107.2154 61.3424 69.4751 175.1083 42 N 4.4054 8.1969 117.6426 53.7802 37.0861 174.0589 43 E 4.3524 7.8156 118.2391 55.2775 30.9566 174.6499 44 P 4.9799 0.0000 0.0000 63.0696 32.1749 175.8295 45 L 4.9370 8.7428 125.2278 53.6807 45.3123 175.5800 46 S 4.8230 9.1895 120.6442 56.3667 65.5409 175.1995 47 I 3.7226 8.2641 122.3532 64.6943 37.0389 178.5780 48 E 4.0710 7.6100 118.1693 59.0614 29.3725 178.0814 49 E 4.1734 7.7374 116.8281 58.2490 29.8911 177.3259 50 I 3.9727 7.3640 119.6487 61.3603 38.0396 175.8725 51 V 4.2692 8.5285 126.4723 61.2043 32.9599 174.7081 52 E 4.5332 8.8208 128.0972 56.3392 30.3853 176.2621 53 I 4.3918 8.1539 124.7270 59.5461 38.8217 175.8705 54 V 3.7290 8.3608 127.2397 61.7110 31.9088 174.0504 55 P 4.4460 0.0000 0.0000 62.5029 31.9461 176.4777 56 S 4.3028 8.4457 114.5736 59.0864 62.7298 174.5553 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 4.35 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 2 L 8.14 4.35 0.00 1.69 1.52 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.97 4.22 0.00 2.95 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 4 A 7.76 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.84 4.13 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 0.97 0.00 0.00 6 S 8.07 4.31 0.00 3.99 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 7 G 8.18 3.84 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 0.00 0.00 0.00 8 K 7.43 4.40 0.00 1.78 1.73 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.50 7.81 9 V 8.09 3.91 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 0.81 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.62 0.00 2.23 2.06 0.00 3.80 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 1.99 1.95 0.00 11 R 9.05 4.20 0.00 1.79 2.00 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 12 R 8.14 4.78 0.00 1.92 1.80 0.00 3.19 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 13 P 0.00 4.94 0.00 2.13 2.18 0.00 3.65 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 2.08 2.00 0.00 14 V 8.99 5.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.08 0.00 0.00 15 L 8.92 5.29 0.00 1.70 1.50 0.94 0.90 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 16 S 8.98 4.90 0.00 3.92 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 17 P 0.00 4.48 0.00 2.23 2.18 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 18 K 8.03 4.12 0.00 2.00 2.13 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.53 7.81 19 S 8.19 4.46 0.00 4.04 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 0.00 20 R 7.88 3.95 0.00 1.98 2.04 0.00 3.11 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 21 T 7.71 4.70 4.28 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 0.70 0.00 0.00 22 I 7.90 4.74 1.74 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 1.28 0.88 0.93 0.00 0.00 23 F 9.18 5.11 0.00 2.92 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 24 E 8.85 4.26 0.00 2.09 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 2.41 2.39 0.00 25 K 8.98 3.85 0.00 2.06 1.84 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 26 S 8.07 4.14 0.00 3.93 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 27 L 7.87 4.08 0.00 1.77 1.78 0.97 0.58 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 28 L 8.15 3.78 0.00 1.44 1.55 0.13 0.60 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 29 E 8.39 3.96 0.00 2.24 1.98 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 2.32 2.49 0.00 30 Q 8.26 3.97 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 31 Y 7.97 3.82 0.00 3.24 3.07 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 0.00 0.00 0.00 32 V 8.13 3.61 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 1.09 0.00 0.00 1.04 0.00 0.00 33 K 8.08 3.92 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 34 D 7.95 4.40 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.54 4.34 4.02 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 0.00 0.00 0.43 0.00 0.00 36 G 8.26 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 37 N 7.82 5.53 0.00 2.86 2.81 0.00 0.00 6.84 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 38 D 9.08 4.51 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.82 0.00 1.81 0.50 0.00 3.48 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.31 0.00 40 I 8.33 4.14 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.92 0.00 0.00 41 T 8.11 4.17 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 42 N 8.20 4.41 0.00 2.96 3.03 0.00 0.00 7.01 7.82 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 43 E 7.82 4.35 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 44 P 0.00 4.98 0.00 1.94 1.99 0.00 3.65 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 2.03 2.09 0.00 45 L 8.74 4.94 0.00 1.57 1.40 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.19 4.82 0.00 4.13 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 47 I 8.26 3.72 1.86 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 1.16 0.91 0.00 0.00 48 E 7.61 4.07 0.00 2.07 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 2.34 2.32 0.00 49 E 7.74 4.17 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 2.34 2.28 0.00 50 I 7.36 3.97 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.92 0.00 0.00 51 V 8.53 4.27 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 1.06 0.00 0.00 0.95 0.00 0.00 52 E 8.82 4.53 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 53 I 8.15 4.39 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.92 0.00 0.00 54 V 8.36 3.73 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 0.80 0.00 0.00 0.94 0.00 0.00 55 P 0.00 4.45 0.00 2.08 1.98 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 56 S 8.45 4.30 0.00 3.86 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