NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7580 8.4249 118.1334 53.2169 39.9623 173.6863 7 S 4.2855 8.5013 114.7433 58.4603 63.8999 172.3481 8 D 4.8160 8.5654 122.6314 55.1202 42.8098 175.0107 9 F 5.3901 7.9400 114.0233 55.4470 41.5996 173.9486 10 V 4.5484 8.8479 112.0939 59.5279 35.5106 174.8302 11 V 4.8420 8.7508 123.5588 61.3089 34.0200 174.4262 12 I 4.9528 9.0029 128.3490 59.3931 40.5443 174.0812 13 K 5.0068 9.2193 128.9305 54.3024 34.5303 174.9466 14 A 4.4514 8.8252 130.1549 52.1268 19.1927 177.4739 15 L 4.7640 8.9496 122.0796 54.5893 42.6800 176.0555 16 E 4.7009 7.7606 115.4976 54.5314 32.4902 174.5142 17 D 4.3704 8.3626 119.4310 55.8420 41.3137 176.9260 18 G 3.8630 8.3874 108.5657 45.7804 0.0000 173.8976 19 V 3.8830 7.5744 119.7693 62.8523 32.8059 174.5256 20 N 5.3670 9.1309 125.0137 51.4646 41.5194 173.5763 21 V 4.4938 8.7063 124.5235 61.4521 33.4529 174.2639 22 I 4.6518 8.7700 130.1543 59.4344 39.4162 175.0751 23 G 4.1572 8.7796 115.0906 45.1205 0.0000 172.3670 24 L 5.5577 8.7557 124.9263 52.8057 44.3836 176.2197 25 T 4.4907 8.5967 113.9797 61.7633 69.3879 174.3211 26 R 4.3316 7.7830 125.1154 56.8131 31.0199 174.8025 27 G 3.7237 8.7672 108.7914 44.0763 0.0000 174.0181 28 A 3.9738 8.5898 121.1465 54.4295 18.6581 177.7405 29 D 4.7121 7.2329 111.7763 53.4043 42.3646 175.7837 30 T 4.7519 8.2676 121.4088 61.9711 71.3106 173.1187 31 R 4.5451 8.6118 121.7179 54.5699 33.7373 174.0501 32 F 5.3939 8.3839 118.8491 57.8442 39.0451 175.3810 33 H 4.9723 9.1535 118.6338 56.4621 30.4921 174.2368 34 H 4.8794 7.7169 117.5848 54.7924 33.4879 172.0863 35 S 4.7480 8.0520 118.5020 56.4978 64.8816 172.3470 36 E 4.4319 9.2802 129.5834 54.8873 31.0957 174.4144 37 K 4.8729 8.5975 128.3185 55.0540 33.9397 175.0721 38 L 4.8975 8.9842 127.8009 53.2491 44.3066 176.1334 39 D 5.0700 8.9478 123.4202 52.3667 43.4042 175.9114 40 K 3.9934 8.7404 121.7656 58.5160 32.2427 176.8409 41 G 4.0239 8.9636 115.6852 45.1440 0.0000 173.5007 42 E 4.2619 8.1322 119.4571 56.2585 30.7672 176.0517 43 V 4.9805 8.2845 121.7930 61.0257 34.4863 174.3167 44 L 4.8005 9.0333 128.9197 53.2415 45.1616 174.8719 45 I 5.0662 8.5036 126.1061 59.5443 39.5037 174.7399 46 A 4.6853 8.9445 128.8964 50.1122 21.9195 175.3389 47 Q 4.7242 8.7094 121.3565 55.2406 30.0967 176.0786 48 F 4.6895 8.1759 120.5796 58.1780 39.8839 174.8983 49 T 4.6906 9.0387 111.4122 60.1748 71.9343 173.9803 50 E 3.8411 8.9327 121.4899 59.2093 29.7214 177.0844 51 H 4.6224 7.9613 113.6110 55.8972 30.1409 173.9785 52 T 5.0788 8.0704 116.5547 62.0011 71.0771 174.3545 53 S 5.0096 8.9094 120.6699 58.0982 64.6913 173.4618 54 A 5.0738 7.8863 121.2775 51.2354 22.5665 175.2000 55 I 5.0090 8.5461 119.9280 59.3598 41.0440 174.7614 56 K 4.6197 9.0225 127.5337 54.4882 35.0632 174.6227 57 V 4.8292 8.3818 126.1491 61.1246 33.9163 174.6079 58 R 4.4977 8.9954 126.5865 55.3232 33.1355 175.0968 59 G 4.0607 9.0732 109.5741 43.5824 0.0000 172.7503 60 K 4.4825 9.2466 120.7552 56.3611 32.9083 175.6320 61 A 5.1079 8.8929 128.3708 50.9240 23.5655 173.5885 62 Y 4.8522 9.0073 121.1072 56.1281 40.9417 174.6191 63 I 5.1272 8.2311 126.7363 59.5763 41.1099 174.3564 64 Q 5.1633 9.1263 125.3922 54.4584 32.3208 174.8917 65 T 4.6075 8.4861 112.1267 59.9885 72.3639 174.4497 66 R 3.8152 8.4991 120.2574 59.4534 30.0371 176.9143 67 H 4.5984 7.9110 113.1108 55.5094 29.7846 174.1280 68 G 3.7487 7.1002 105.7444 44.1475 0.0000 172.5294 69 V 4.5780 8.0599 120.4972 61.7113 33.2518 176.4463 70 I 4.6633 8.3046 125.4898 59.5117 42.1071 173.1711 71 E 5.1948 8.5580 125.1499 54.5086 32.3757 175.9454 72 S 4.7059 8.7015 119.0058 57.6576 65.4458 172.8889 73 E 4.9051 8.4638 119.3341 54.6262 33.1359 176.2711 74 G 3.9143 8.6022 112.3327 44.2955 0.0000 173.8241 75 K 4.1348 8.4462 117.5465 56.7384 32.0169 177.3120 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 6 N 8.42 4.76 0.00 2.77 2.93 0.00 0.00 6.98 6.68 0.00 0.00 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 8.50 4.29 0.00 4.14 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 8 D 8.57 4.82 0.00 2.82 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 F 7.94 5.39 0.00 3.02 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 10 V 8.85 4.55 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 0.53 0.00 0.00 0.85 0.00 0.00 11 V 8.75 4.84 2.17 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 1.18 0.00 0.00 1.18 0.00 0.00 12 I 9.00 4.95 1.88 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 1.10 0.68 0.92 0.00 0.00 13 K 9.22 5.01 0.00 1.83 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.83 4.45 1.37 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 15 L 8.95 4.76 0.00 1.68 1.72 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.76 4.70 0.00 2.02 1.88 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 2.33 2.33 0.00 17 D 8.36 4.37 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.39 3.86 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 0.00 0.00 0.00 19 V 7.57 3.88 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 0.90 0.00 0.00 1.04 0.00 0.00 20 N 9.13 5.37 0.00 2.56 2.59 0.00 0.00 6.29 8.52 0.00 0.00 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 V 8.71 4.49 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 0.79 0.00 0.00 0.90 0.00 0.00 22 I 8.77 4.65 1.45 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.41 -0.08 0.00 0.00 23 G 8.78 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 0.00 0.00 0.00 24 L 8.76 5.56 0.00 1.83 1.71 1.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.60 4.49 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 1.38 0.00 0.00 26 R 7.78 4.33 0.00 1.93 1.95 0.00 3.28 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 3.97 1.29 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 0.00 0.00 0.00 29 D 7.23 4.71 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.27 4.75 4.23 0.00 0.00 0.00 0.00 0.00 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 31 R 8.61 4.55 0.00 1.80 1.92 0.00 3.14 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 32 F 8.38 5.39 0.00 2.94 2.87 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 0.00 0.00 0.00 33 H 9.15 4.97 0.00 3.15 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.72 4.88 0.00 3.31 3.08 0.00 5.80 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 35 S 8.05 4.75 0.00 3.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.28 4.43 0.00 2.14 1.79 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 2.26 2.29 0.00 37 K 8.60 4.87 0.00 1.86 1.67 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.43 7.81 38 L 8.98 4.90 0.00 1.56 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.95 5.07 0.00 2.61 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 40 K 8.74 3.99 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 8.96 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 0.00 0.00 0.00 0.00 42 E 8.13 4.26 0.00 2.04 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 2.32 2.33 0.00 43 V 8.28 4.98 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 0.85 0.00 0.00 0.94 0.00 0.00 44 L 9.03 4.80 0.00 1.74 1.45 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.07 1.78 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 1.28 0.80 0.76 0.00 0.00 46 A 8.94 4.69 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.71 4.72 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.18 4.69 0.00 3.09 3.01 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 49 T 9.04 4.69 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 1.28 0.00 0.00 50 E 8.93 3.84 0.00 1.95 2.05 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 2.07 2.29 0.00 51 H 7.96 4.62 0.00 3.39 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.07 5.08 4.37 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 1.36 0.00 0.00 53 S 8.91 5.01 0.00 3.80 4.10 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 54 A 7.89 5.07 1.32 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 0.00 0.00 0.00 0.00 0.00 55 I 8.55 5.01 1.85 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.84 0.00 0.00 56 K 9.02 4.62 0.00 1.75 1.42 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.32 7.81 57 V 8.38 4.83 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.00 4.50 0.00 1.69 1.74 0.00 3.09 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 1.51 1.48 0.00 59 G 9.07 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 0.00 0.00 0.00 60 K 9.25 4.48 0.00 1.86 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.89 5.11 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 62 Y 9.01 4.85 0.00 3.04 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 63 I 8.23 5.13 1.91 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 1.21 0.70 0.87 0.00 0.00 64 Q 9.13 5.16 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 65 T 8.49 4.61 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 1.16 0.00 0.00 66 R 8.50 3.82 0.00 1.61 1.78 0.00 3.21 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.91 4.60 0.00 3.19 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.10 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.06 4.58 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 0.19 0.00 0.00 0.88 0.00 0.00 70 I 8.30 4.66 1.81 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 1.19 1.18 0.84 0.00 0.00 71 E 8.56 5.19 0.00 1.83 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 2.21 2.11 0.00 72 S 8.70 4.71 0.00 3.93 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 73 E 8.46 4.91 0.00 1.82 1.84 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 2.21 2.29 0.00 74 G 8.60 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 75 K 8.45 4.13 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81