NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4508 8.2893 118.1947 55.2780 32.5798 174.6409 2 T 4.2109 8.1005 110.3367 59.4110 70.2952 172.5128 3 P 4.3233 0.0000 0.0000 62.3610 32.9559 177.3122 4 A 4.1658 8.4359 124.6838 52.0840 18.9535 177.1064 5 V 4.7041 8.2459 122.5568 61.3823 34.3376 174.7498 6 T 4.6479 8.9106 122.6653 62.0162 71.8920 173.2272 7 T 4.7803 8.2610 121.4023 62.9347 69.6157 173.7901 8 Y 5.0332 9.4371 124.7960 56.2738 41.0724 174.7080 9 K 5.2168 9.2812 123.3717 54.6487 35.7021 174.3940 10 L 4.9202 8.5949 127.9411 53.1333 44.7398 174.9469 11 V 4.5822 8.7083 127.0674 61.4463 33.5430 174.2757 12 I 4.5959 8.8477 129.4219 59.4106 39.6146 175.2281 13 N 5.3818 8.8888 126.4887 51.5241 37.8258 173.9070 14 G 4.0392 8.4022 109.1351 44.5528 0.0000 172.7248 15 K 4.2655 9.7563 119.9409 58.9911 32.0751 178.8132 16 T 4.4132 7.8192 112.4289 63.1051 71.1524 173.7611 17 L 4.6602 7.6930 123.3399 53.0359 43.5643 175.0704 18 K 5.1517 8.8195 124.0384 55.0464 37.1513 175.6776 19 G 3.8897 7.0981 109.2397 44.6662 0.0000 172.4281 20 E 5.1735 8.2015 123.2376 55.3060 34.0381 174.3036 21 T 4.8399 8.6510 116.1580 61.2076 71.7942 171.9487 22 T 5.5583 8.2967 111.9585 60.9447 72.2587 172.6965 23 T 4.7184 9.2058 115.4578 60.9176 71.3785 172.1298 24 K 5.2952 8.4781 124.1788 54.8636 34.6251 175.3552 25 A 4.6745 9.0406 124.3508 51.0906 22.6029 177.7637 26 V 3.8886 8.5502 112.5665 63.7198 32.3269 176.5693 27 D 4.8262 7.5738 117.9935 51.0057 43.3975 175.8520 28 A 3.3770 8.5267 121.6007 54.8497 18.3041 179.6983 29 E 3.8802 8.0053 115.8954 59.8086 29.8004 179.4701 30 T 3.7167 8.4057 116.8218 66.1604 68.3939 176.6120 31 A 3.4402 7.3252 122.2250 54.7384 18.2714 179.1370 32 E 2.9571 8.0441 118.1568 59.1355 29.5971 179.2129 33 K 3.7432 7.7276 118.0702 59.3428 32.0542 179.1842 34 A 3.8741 7.5077 120.6407 55.1934 18.1946 179.7822 35 F 4.6047 7.9116 116.5363 60.7321 38.9101 178.1760 36 K 3.9790 8.4291 118.6587 59.2883 31.7626 179.2414 37 Q 3.9370 8.2851 120.0284 59.2644 29.1382 177.4902 38 Y 4.1229 8.3920 120.4408 60.7719 38.7670 178.0631 39 A 3.9658 8.6390 121.6930 55.2529 18.5750 179.3065 40 N 4.2932 8.4705 115.1099 56.7505 38.4452 177.3342 41 D 4.4192 8.4263 119.1727 56.8822 40.9142 177.7009 42 N 4.7209 7.5395 113.9239 52.2524 38.7434 175.5965 43 G 3.8289 7.6677 107.9820 46.0713 0.0000 173.7832 44 V 4.0676 7.9215 120.0206 61.6980 31.9750 175.6052 45 D 4.8383 9.2535 127.2169 52.1012 41.5277 174.4197 46 G 4.1603 8.1945 113.7903 44.0026 0.0000 169.4456 47 V 4.7643 8.1746 111.7586 59.5175 34.5250 175.3420 48 W 5.5857 9.0251 122.2688 55.2307 32.5332 174.7669 49 T 4.9943 9.1656 111.9881 60.2466 71.8945 172.0163 50 Y 4.9557 8.4171 122.3455 55.9363 42.7575 173.0516 51 D 4.5807 7.9991 126.4591 52.2238 42.6913 176.2088 52 D 4.1175 8.5445 125.5060 55.9608 41.6900 177.1951 53 A 4.0881 8.8225 122.5581 54.4185 18.3867 178.0828 54 T 4.3681 7.7261 102.3324 60.4134 69.9532 173.9120 55 K 4.0429 7.7283 120.7192 58.4566 30.4376 174.5189 56 T 5.3940 7.4909 113.1922 61.9669 72.1093 174.0088 57 F 5.4798 9.8036 125.0620 56.4721 41.9592 175.0121 58 T 5.1929 9.1944 117.9446 61.7609 72.7632 173.2926 59 V 4.2457 8.3594 124.5299 59.8478 34.3927 174.3967 60 T 4.9429 8.4954 118.0760 60.2242 71.0055 173.3911 61 E 4.3265 8.6277 126.0652 56.4590 29.3671 175.8713 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 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 T 8.10 4.21 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 1.21 0.00 0.00 3 P 0.00 4.32 0.00 2.07 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 4 A 8.44 4.17 1.25 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 0.00 0.00 5 V 8.25 4.70 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 0.88 0.00 0.00 0.95 0.00 0.00 6 T 8.91 4.65 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 0.49 0.00 0.00 7 T 8.26 4.78 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 1.27 0.00 0.00 8 Y 9.44 5.03 0.00 3.14 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.28 5.22 0.00 1.92 1.74 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.50 7.81 10 L 8.59 4.92 0.00 0.27 0.59 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.71 4.58 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 0.86 0.00 0.00 0.91 0.00 0.00 12 I 8.85 4.60 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.92 0.00 0.00 13 N 8.89 5.38 0.00 2.54 2.67 0.00 0.00 6.40 7.20 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 14 G 8.40 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.76 4.27 0.00 1.78 1.87 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 16 T 7.82 4.41 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 1.19 0.00 0.00 17 L 7.69 4.66 0.00 1.67 1.48 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.82 5.15 0.00 1.71 1.61 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.41 7.81 19 G 7.10 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 20 E 8.20 5.17 0.00 1.79 1.77 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 2.17 2.28 0.00 21 T 8.65 4.84 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 0.66 0.00 0.00 22 T 8.30 5.56 4.47 0.00 0.00 0.00 0.00 0.00 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 23 T 9.21 4.72 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 0.37 0.00 0.00 24 K 8.48 5.30 0.00 1.67 1.72 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 25 A 9.04 4.67 1.16 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 26 V 8.55 3.89 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 0.77 0.00 0.00 0.93 0.00 0.00 27 D 7.57 4.83 0.00 2.90 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 28 A 8.53 3.38 1.08 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 0.00 0.00 29 E 8.01 3.88 0.00 2.11 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 0.00 2.43 2.30 0.00 30 T 8.41 3.72 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 1.10 0.00 0.00 31 A 7.33 3.44 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.04 2.96 0.00 1.95 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 1.92 2.04 0.00 33 K 7.73 3.74 0.00 1.84 1.71 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.31 7.81 34 A 7.51 3.87 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 35 F 7.91 4.60 0.00 2.78 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 36 K 8.43 3.98 0.00 1.50 1.65 0.00 1.16 0.00 0.00 0.67 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.10 7.81 37 Q 8.29 3.94 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 38 Y 8.39 4.12 0.00 3.23 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 3.97 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.29 0.00 2.92 2.89 0.00 0.00 7.07 8.19 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 41 D 8.43 4.42 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.54 4.72 0.00 2.45 2.63 0.00 0.00 7.05 7.13 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 43 G 7.67 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.92 4.07 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 0.70 0.00 0.00 0.87 0.00 0.00 45 D 9.25 4.84 0.00 2.63 2.55 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 0.00 0.00 0.00 0.00 46 G 8.19 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 47 V 8.17 4.76 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 0.82 0.00 0.00 0.94 0.00 0.00 48 W 9.03 5.59 0.00 3.19 3.31 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 49 T 9.17 4.99 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 1.27 0.00 0.00 50 Y 8.42 4.96 0.00 2.79 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 51 D 8.00 4.58 0.00 2.54 2.25 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 52 D 8.54 4.12 0.00 2.66 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 53 A 8.82 4.09 1.22 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 0.00 0.00 0.00 54 T 7.73 4.37 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 1.16 0.00 0.00 55 K 7.73 4.04 0.00 1.91 1.72 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.36 7.81 56 T 7.49 5.39 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 1.25 0.00 0.00 57 F 9.80 5.48 0.00 3.13 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.19 5.19 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 1.14 0.00 0.00 59 V 8.36 4.25 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 0.00 0.00 0.41 0.00 0.00 0.17 0.00 0.00 60 T 8.50 4.94 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 1.16 0.00 0.00 61 E 8.63 4.33 0.00 1.85 1.80 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 2.35 2.17 0.00