NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4302 8.3049 120.3530 54.9015 34.4428 175.9875 2 P 4.1681 0.0000 0.0000 62.5420 32.7501 173.9729 3 K 4.7122 9.4317 123.9330 55.3471 34.7096 174.6173 4 H 5.1885 9.4603 123.1379 54.2995 31.7868 174.1297 5 E 5.2060 8.6028 119.4433 54.7641 33.2320 175.0126 6 F 5.3182 9.5547 122.1848 55.7566 43.7888 173.6415 7 S 5.1569 9.1846 116.9083 56.9877 64.0395 173.0269 8 V 4.7124 8.4182 126.7723 60.8610 33.7760 176.1314 9 D 4.7537 8.6305 129.8982 54.1583 38.2825 174.4668 10 M 4.5089 7.8848 120.1502 53.9922 33.7723 176.4412 11 T 4.5771 8.3463 111.1909 61.2546 70.2816 172.7074 12 C 4.6857 7.5793 116.1864 55.9737 32.5950 174.8911 13 G 3.7815 8.8249 106.7438 47.9882 0.0000 176.0554 14 G 3.6623 8.0713 107.3795 47.4773 0.0000 175.4815 15 C 4.1385 7.9818 118.5680 62.6579 28.1537 176.0163 16 A 4.0273 7.9355 121.8763 55.1996 18.0244 179.3441 17 E 3.9332 8.4633 117.0103 59.4367 29.5001 179.4569 18 A 4.0611 7.9984 120.8627 55.0968 18.4473 179.8216 19 V 3.4181 7.6446 116.4508 66.0678 31.5016 178.1023 20 S 3.8158 8.1203 112.8250 61.4827 62.2661 176.3913 21 R 3.9197 8.1810 120.8358 59.4460 29.8236 179.5571 22 V 3.6275 7.7509 112.1734 64.2277 31.4745 178.6930 23 L 3.8854 7.6872 118.9105 57.5790 41.1501 179.1334 24 N 4.4361 8.2220 116.1598 56.1800 38.5403 177.0480 25 K 4.0775 7.8886 120.1467 59.1993 32.3577 178.3712 26 L 4.0366 7.5469 119.7661 57.0678 41.2612 178.1040 27 G 3.8971 8.1532 104.9990 45.3650 0.0000 172.9426 28 G 3.9763 8.6702 103.4916 46.4688 0.0000 173.8005 29 V 4.8514 7.3579 107.8813 59.1341 36.1557 175.7598 30 K 4.6705 9.0403 122.4647 54.9524 34.7666 174.9031 31 Y 5.4949 8.1557 122.1932 55.1701 41.7474 174.3314 32 D 4.8100 9.2514 118.7343 52.7553 44.9345 173.7803 33 I 4.7947 8.6585 126.2060 59.7982 39.6291 175.0020 34 D 4.6799 9.2263 128.4937 52.2098 41.3207 176.3661 35 L 3.9351 8.5871 126.6709 57.4336 42.4735 177.4868 36 P 4.2586 0.0000 0.0000 65.3202 31.2835 176.8633 37 N 4.6971 7.9955 111.2320 51.9923 39.1815 174.9031 38 K 3.8563 7.9083 117.7676 57.5556 30.5931 174.2984 39 K 5.2009 8.1022 118.0361 54.6268 36.2996 175.3414 40 V 4.9549 9.1446 126.2821 61.4880 34.6488 173.6600 41 C 5.3358 9.2621 126.1677 58.3992 30.6388 172.9667 42 I 5.1943 9.1930 123.8475 59.6555 41.0878 173.7034 43 E 5.1221 9.3241 128.9148 55.0240 31.0443 174.5244 44 S 4.8683 8.5259 119.6041 58.0455 65.5934 174.8447 45 E 4.3176 8.8947 122.4152 57.7769 29.9874 177.1315 46 H 4.2788 7.9634 116.5394 55.6853 29.5101 176.0691 47 S 4.3507 8.4903 117.7620 58.4781 64.8403 175.0582 48 M 3.9117 8.5662 122.1405 58.9433 31.8626 178.2752 49 D 4.3023 7.9777 118.4952 57.7056 41.0687 178.7708 50 T 3.8406 7.8435 116.0820 66.5820 68.4343 176.8563 51 L 3.8293 7.9252 120.9308 57.4531 41.5866 179.3060 52 L 3.6438 8.1489 120.3472 58.0598 41.8659 178.8461 53 A 3.9353 7.7264 119.2494 55.4468 18.7020 179.4554 54 T 3.8726 7.8829 114.1325 66.8156 68.6252 176.9960 55 L 3.8812 7.7788 120.8404 57.5840 41.5885 179.6064 56 K 4.0978 8.1636 117.9840 58.6460 31.6963 179.2769 57 K 4.0898 7.5790 118.1698 59.0025 31.9508 178.8641 58 T 4.0142 7.5634 109.4095 62.8939 68.7534 175.6062 59 G 3.8948 7.9278 109.1954 45.1347 0.0000 173.4374 60 K 4.4066 7.3898 118.4274 55.1551 33.6865 176.4531 61 T 4.1834 8.2311 117.8889 63.6513 69.4174 173.8071 62 V 5.1762 8.4488 126.0165 61.1641 34.5482 174.3717 63 S 4.9225 9.2055 120.5863 57.0304 67.2689 171.6225 64 Y 4.8555 8.6421 121.3649 56.1927 39.6481 175.0057 65 L 4.1478 8.5185 126.0684 54.3588 42.8801 177.2234 66 G 3.0677 5.5222 106.8016 43.9619 0.0000 173.8922 67 L 4.6310 7.8083 116.6986 54.3457 41.7555 177.1566 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 4.43 0.00 2.01 2.19 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 2.48 2.64 0.00 2 P 0.00 4.17 0.00 2.23 1.94 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 3 K 9.43 4.71 0.00 1.66 1.73 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.60 7.81 4 H 9.46 5.19 0.00 3.41 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.60 5.21 0.00 1.67 1.73 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 2.20 2.28 0.00 6 F 9.55 5.32 0.00 2.99 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 7 S 9.18 5.16 0.00 3.92 3.79 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 8 V 8.42 4.71 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 0.79 0.00 0.00 0.96 0.00 0.00 9 D 8.63 4.75 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.88 4.51 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 11 T 8.35 4.58 4.24 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 1.22 0.00 0.00 12 C 7.58 4.69 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 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 0.00 0.00 0.00 14 G 8.07 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.98 4.14 0.00 3.24 2.99 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 16 A 7.94 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.93 0.00 2.18 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 2.35 2.58 0.00 18 A 8.00 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.42 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 0.84 0.00 0.00 0.96 0.00 0.00 20 S 8.12 3.82 0.00 4.05 4.09 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 21 R 8.18 3.92 0.00 2.00 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 22 V 7.75 3.63 1.99 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 0.78 0.00 0.00 0.86 0.00 0.00 23 L 7.69 3.89 0.00 1.11 1.24 0.18 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.22 4.44 0.00 2.89 2.93 0.00 0.00 7.00 7.27 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 25 K 7.89 4.08 0.00 1.83 1.96 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 7.55 4.04 0.00 1.60 1.78 0.74 0.99 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 27 G 8.15 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 0.00 0.00 0.00 28 G 8.67 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 0.00 0.00 0.00 29 V 7.36 4.85 2.26 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 0.90 0.00 0.00 1.13 0.00 0.00 30 K 9.04 4.67 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 31 Y 8.16 5.49 0.00 3.06 2.94 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 32 D 9.25 4.81 0.00 2.71 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 33 I 8.66 4.79 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.96 0.00 0.00 34 D 9.23 4.68 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 3.94 0.00 1.78 1.67 0.98 1.02 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 36 P 0.00 4.26 0.00 2.09 2.12 0.00 3.99 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 37 N 8.00 4.70 0.00 2.88 2.84 0.00 0.00 7.21 7.49 0.00 0.00 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 K 7.91 3.86 0.00 1.95 2.03 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.37 7.81 39 K 8.10 5.20 0.00 1.95 1.62 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 40 V 9.14 4.95 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 1.04 0.00 0.00 0.96 0.00 0.00 41 C 9.26 5.34 0.00 2.98 2.89 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 42 I 9.19 5.19 2.15 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 1.26 0.86 1.05 0.00 0.00 43 E 9.32 5.12 0.00 2.03 1.86 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 2.26 2.49 0.00 44 S 8.53 4.87 0.00 4.02 3.79 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 E 8.89 4.32 0.00 1.95 1.97 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 2.28 2.26 0.00 46 H 7.96 4.28 0.00 3.18 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.49 4.35 0.00 4.15 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 48 M 8.57 3.91 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.06 0.00 49 D 7.98 4.30 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.84 3.84 4.36 0.00 0.00 0.00 0.00 0.00 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 51 L 7.93 3.83 0.00 1.85 1.46 1.07 0.35 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 52 L 8.15 3.64 0.00 1.91 1.80 1.05 1.13 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 53 A 7.73 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 54 T 7.88 3.87 4.22 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 1.08 0.00 0.00 55 L 7.78 3.88 0.00 1.56 1.53 0.11 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.16 4.10 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 57 K 7.58 4.09 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.63 7.81 58 T 7.56 4.01 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 1.14 0.00 0.00 59 G 7.93 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 60 K 7.39 4.41 0.00 1.77 1.74 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.38 7.81 61 T 8.23 4.18 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 1.23 0.00 0.00 62 V 8.45 5.18 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 0.91 0.00 0.00 0.94 0.00 0.00 63 S 9.21 4.92 0.00 3.95 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 64 Y 8.64 4.86 0.00 2.82 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 65 L 8.52 4.15 0.00 1.35 1.51 0.91 0.81 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 66 G 5.52 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 0.00 0.00 0.00 67 L 7.81 4.63 0.00 1.61 1.55 0.95 0.90 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