NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6357 8.2893 120.5931 55.7545 33.6216 174.2023 2 Q 4.3463 8.3174 121.4004 54.4171 32.4213 172.0763 3 R 5.0002 8.6069 119.3561 55.6632 32.4717 176.9028 4 G 4.3961 9.3894 108.6633 45.4849 0.0000 171.1745 5 K 5.0975 9.0159 120.6896 53.9904 35.4452 175.5841 6 V 3.8294 8.8603 128.2203 63.6470 31.8468 176.3549 7 K 4.3294 9.2339 130.6576 58.6742 32.9369 176.9032 8 W 5.4268 7.7639 114.9485 55.4409 31.5227 173.5915 9 F 4.8541 8.9375 124.4067 56.1762 41.9701 173.8009 10 N 4.6589 8.8907 126.0416 52.4735 38.8536 174.7910 11 N 4.5178 8.6857 127.2359 56.6759 39.2739 176.0564 12 E 4.1199 8.0081 119.0445 59.2436 29.7534 178.8194 13 K 4.2004 7.8070 116.7775 56.7458 32.5729 177.5120 14 G 3.9158 9.4269 107.7738 45.6870 0.0000 172.1041 15 Y 4.6728 6.0915 115.4526 55.9079 41.6336 173.5206 16 G 3.0658 7.6957 105.0505 46.0087 0.0000 172.0432 17 F 4.9949 7.8489 118.7861 55.7339 43.9137 173.9349 18 I 4.5380 8.5972 123.8295 59.5554 39.0143 174.7296 19 E 4.7455 9.0930 129.0405 56.1470 30.7970 175.7660 20 V 4.9103 8.2001 118.1031 59.1886 35.9376 174.9898 21 E 3.9043 8.8603 124.9820 57.6153 29.8545 176.9097 22 G 3.9266 10.3410 114.0406 45.6000 0.0000 172.4130 23 G 4.2120 7.5018 106.2529 43.7515 0.0000 173.2134 24 S 4.4077 8.3685 115.5084 58.0395 63.4565 174.2941 25 D 4.8441 8.5069 121.7724 54.7632 41.7105 176.0125 26 V 4.5153 8.8400 122.1414 60.7403 33.9695 174.7885 27 F 3.4762 8.8553 130.5246 58.1323 40.6717 173.9478 28 V 4.2767 7.3438 124.4429 60.0805 34.3265 173.9450 29 H 5.0236 8.2857 124.6223 54.0780 31.8327 175.6362 30 F 4.2495 8.5376 119.0466 60.0085 37.7624 177.4967 31 T 3.7289 6.8067 109.5141 63.3204 68.7643 174.7944 32 A 4.1418 8.0658 125.3099 53.5960 19.0165 177.0494 33 I 4.2720 7.4460 117.8396 60.9321 37.5089 176.1787 34 Q 4.2330 8.7485 125.5032 55.3648 29.9188 175.8788 35 G 3.9204 8.4452 105.5071 44.5251 0.0000 172.7524 36 E 3.8335 8.2307 119.2226 57.5308 29.9138 176.0597 37 G 3.8361 8.6705 110.4576 43.9870 0.0000 172.5075 38 F 4.0264 8.4572 120.7370 58.0245 39.6328 174.8833 39 K 4.1078 7.5330 127.6603 56.2971 31.4010 175.9173 40 T 4.4380 7.6738 116.7178 60.9411 70.2259 172.5250 41 L 4.5393 6.8577 123.6685 52.9235 45.8570 175.7711 42 E 4.7265 8.2431 120.6423 54.0162 31.6601 175.5904 43 E 4.3562 8.6305 119.8953 58.2217 29.8514 177.4949 44 G 3.9947 9.0988 110.4934 45.2807 0.0000 173.7371 45 Q 4.0760 7.8844 122.1204 56.4323 30.1789 174.9440 46 E 5.0425 8.7634 125.4537 55.5715 31.6761 175.5445 47 V 5.1341 8.9184 116.3900 59.7567 36.7438 174.3476 48 S 5.4956 8.7722 116.8766 57.1640 65.8625 172.9805 49 F 5.3708 8.3741 115.0466 57.3713 41.5818 172.2869 50 E 4.8694 9.2096 118.4620 54.5935 33.2681 175.0849 51 I 4.9958 8.2087 122.0307 60.1018 38.8755 175.6540 52 V 4.5434 8.8564 119.6197 59.5182 35.6687 174.3040 53 Q 4.6231 8.7457 124.6237 54.7912 30.3656 174.7768 54 G 4.3084 8.2126 115.9323 43.4624 0.0000 172.8437 55 N 4.2912 8.6503 115.3444 56.1612 38.4665 176.4754 56 R 4.0112 7.7584 114.5655 56.2083 30.8932 175.6181 57 G 3.7820 7.9444 104.8814 43.0070 0.0000 170.8743 58 P 5.0495 0.0000 0.0000 63.1035 32.0769 175.6973 59 Q 4.8920 9.0631 118.9327 54.8974 32.4821 173.4247 60 A 4.9264 8.7850 122.4147 52.0079 19.2744 176.9115 61 A 4.5947 8.9997 121.7170 50.0170 23.2183 175.3078 62 N 4.0551 8.4627 115.0653 54.5604 37.5028 174.4860 63 V 4.2079 7.9815 118.5624 62.6089 33.2553 175.3228 64 V 4.6728 8.7778 128.2400 60.8023 34.2160 174.6796 65 K 4.4007 8.6624 127.5757 56.2034 32.9162 176.8698 66 E 4.2290 8.8506 123.4073 56.6708 29.0666 176.7430 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 8.29 4.64 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 Q 8.32 4.35 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 1.22 1.62 0.00 3 R 8.61 5.00 0.00 1.74 1.93 0.00 3.22 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 4 G 9.39 4.40 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 0.00 0.00 0.00 5 K 9.02 5.10 0.00 1.81 1.65 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.50 7.81 6 V 8.86 3.83 2.20 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 0.95 0.00 0.00 0.86 0.00 0.00 7 K 9.23 4.33 0.00 1.86 2.04 0.00 1.97 0.00 0.00 1.99 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.74 1.53 7.81 8 W 7.76 5.43 0.00 3.47 3.13 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 9 F 8.94 4.85 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 10 N 8.89 4.66 0.00 2.91 2.39 0.00 0.00 6.39 6.69 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 11 N 8.69 4.52 0.00 2.93 2.93 0.00 0.00 7.26 7.65 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 12 E 8.01 4.12 0.00 1.92 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 0.00 2.31 2.46 0.00 13 K 7.81 4.20 0.00 1.10 1.51 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.48 7.81 14 G 9.43 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 0.00 0.00 0.00 15 Y 6.09 4.67 0.00 2.45 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 16 G 7.70 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 17 F 7.85 4.99 0.00 2.53 2.75 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 18 I 8.60 4.54 1.38 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.31 0.55 0.00 0.00 19 E 9.09 4.75 0.00 2.10 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 0.00 2.35 2.48 0.00 20 V 8.20 4.91 2.32 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 1.19 0.00 0.00 1.14 0.00 0.00 21 E 8.86 3.90 0.00 1.94 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 2.31 2.39 0.00 22 G 10.34 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 23 G 7.50 4.21 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 0.00 0.00 0.00 24 S 8.37 4.41 0.00 3.95 3.88 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 0.00 0.00 0.00 25 D 8.51 4.84 0.00 2.63 2.80 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 26 V 8.84 4.52 1.96 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 0.86 0.00 0.00 1.19 0.00 0.00 27 F 8.86 3.48 0.00 2.52 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.34 4.28 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 0.46 0.00 0.00 0.75 0.00 0.00 29 H 8.29 5.02 0.00 3.13 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.54 4.25 0.00 3.32 3.49 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 0.00 0.00 0.00 0.00 31 T 6.81 3.73 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 0.49 0.00 0.00 32 A 8.07 4.14 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 33 I 7.45 4.27 1.92 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.83 0.00 0.00 34 Q 8.75 4.23 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 35 G 8.45 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 0.00 0.00 0.00 36 E 8.23 3.83 0.00 1.94 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 2.30 2.27 0.00 37 G 8.67 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 38 F 8.46 4.03 0.00 2.96 2.98 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 39 K 7.53 4.11 0.00 1.59 1.89 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.44 7.81 40 T 7.67 4.44 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 41 L 6.86 4.54 0.00 0.58 1.13 0.54 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.24 4.73 0.00 1.97 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 2.31 2.22 0.00 43 E 8.63 4.36 0.00 2.27 2.11 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 2.34 2.34 0.00 44 G 9.10 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 45 Q 7.88 4.08 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 46 E 8.76 5.04 0.00 1.97 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 2.36 2.34 0.00 47 V 8.92 5.13 2.11 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 0.66 0.00 0.00 0.91 0.00 0.00 48 S 8.77 5.50 0.00 3.85 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 49 F 8.37 5.37 0.00 3.19 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 50 E 9.21 4.87 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 51 I 8.21 5.00 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.62 1.03 0.00 0.00 52 V 8.86 4.54 2.09 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 0.73 0.00 0.00 1.01 0.00 0.00 53 Q 8.75 4.62 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 54 G 8.21 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 0.00 0.00 0.00 0.00 55 N 8.65 4.29 0.00 2.69 2.87 0.00 0.00 6.82 7.66 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 56 R 7.76 4.01 0.00 1.65 1.79 0.00 3.24 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 57 G 7.94 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 58 P 0.00 5.05 0.00 2.15 2.18 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 59 Q 9.06 4.89 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 60 A 8.79 4.93 1.06 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 61 A 9.00 4.59 1.21 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 0.00 0.00 62 N 8.46 4.06 0.00 2.95 2.82 0.00 0.00 6.63 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 63 V 7.98 4.21 2.12 0.00 0.00 0.00 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 0.88 0.00 0.00 64 V 8.78 4.67 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 1.02 0.00 0.00 0.99 0.00 0.00 65 K 8.66 4.40 0.00 1.66 1.70 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.40 7.81 66 E 8.85 4.23 0.00 1.99 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 2.35 2.28 0.00