NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2846 8.2644 123.5822 52.1576 19.8248 175.4892 2 V 4.2918 7.8572 120.3193 59.1385 33.7581 172.4893 3 Q 4.2808 8.5664 120.2713 55.1499 29.8194 176.2899 4 Q 4.1097 8.6854 124.4665 57.8451 29.5637 175.3338 5 N 4.9883 7.3036 113.1907 50.9835 42.3921 173.9933 6 K 4.3595 8.4316 121.8478 54.4388 32.1891 175.0311 7 P 4.2042 0.0000 0.0000 63.0555 31.8427 177.0404 8 T 4.0064 8.4642 117.4784 61.9207 69.1215 174.8705 9 R 3.9696 8.5649 123.2337 59.6446 29.5894 178.5050 10 S 4.1202 8.0659 113.6138 60.9687 62.5608 175.4080 11 K 3.7656 8.0458 121.4821 59.7160 31.6637 178.1817 12 R 3.9845 7.7318 117.6070 59.7073 30.1566 178.1893 13 G 3.7277 7.9966 104.8170 48.1892 0.0000 175.2015 14 M 3.9667 8.1841 120.9740 58.4513 31.6616 178.8106 15 R 3.9862 7.6953 117.2693 59.1728 30.4146 177.8731 16 R 4.6085 8.1849 117.4499 55.6495 29.7067 178.5191 17 S 3.9900 7.4532 115.6018 61.8444 62.9685 175.1185 18 H 4.6823 7.8295 114.8814 55.5575 28.7121 175.6069 19 D 4.4952 7.7964 120.0004 55.0981 41.1210 176.5323 20 A 4.1594 7.7584 121.7966 52.2989 18.9141 176.7991 21 L 4.5056 7.9871 119.4892 53.7520 43.8010 175.3378 22 T 4.7342 7.9998 112.3919 60.6215 71.4608 174.6442 23 A 4.8198 7.9561 131.8435 52.0528 17.1849 179.2579 24 V 4.4084 8.1514 109.5520 62.5923 34.6011 175.0202 25 T 3.6245 8.9235 108.2677 62.1226 67.5631 168.5223 26 S 4.0407 7.4930 121.0270 58.5086 64.9437 170.7493 27 L 4.6663 8.0870 131.4456 55.6514 39.6608 176.1026 28 S 4.8616 8.8719 111.4109 56.7357 66.3624 173.1044 29 V 5.6721 8.1704 122.7017 58.9793 33.6580 174.9082 30 D 4.5487 8.6154 122.8832 54.1952 41.8182 175.8552 31 K 4.2511 8.5058 119.9589 58.6961 32.9588 178.5845 32 T 4.1899 8.0916 114.0756 64.9440 69.1736 174.0957 33 S 4.6326 7.2688 114.0381 57.1948 65.0164 176.3514 34 G 3.7498 8.5593 108.4474 46.1149 0.0000 172.7202 35 E 3.7248 8.3734 121.0305 56.6661 30.4148 176.7266 36 K 4.9654 8.6621 128.0859 55.4996 30.7369 175.2657 37 H 5.0670 9.0507 120.6903 52.7101 31.9843 174.1897 38 L 4.3684 8.2367 120.9616 54.6363 43.3520 176.4413 39 R 3.9634 8.4927 124.1652 58.3616 30.3885 176.3542 40 H 4.5607 10.0484 117.7672 56.4356 25.9400 174.1411 41 H 3.5233 8.2195 109.2354 55.8489 31.1059 174.9437 42 I 3.2338 6.9664 121.1685 60.2396 36.0133 175.0355 43 T 4.3874 9.3325 116.4423 60.3283 70.2148 175.1452 44 A 4.2610 8.1112 123.5520 54.0769 18.6154 177.7939 45 D 4.7282 7.8368 115.9991 51.9715 39.5853 176.7469 46 G 4.3729 8.2201 106.7323 47.6619 0.0000 172.8780 47 Y 4.7260 7.7573 117.3402 58.0312 40.3767 175.8714 48 Y 4.9641 7.7335 127.0662 58.2591 45.5110 177.3967 49 R 4.1317 7.9867 113.0570 55.6709 28.7719 178.1190 50 G 4.1566 8.7914 114.1729 46.1947 0.0000 169.7057 51 R 3.2101 8.4894 116.1938 58.6684 30.8870 175.5784 52 K 3.7373 7.8912 114.9409 56.5576 34.1737 175.5400 53 V 4.0771 8.1701 120.8546 59.9464 33.6666 172.8571 54 I 3.0099 8.3592 126.5833 60.7670 35.6459 174.0294 55 A 3.9982 8.6340 127.7681 52.0602 18.8961 177.1489 56 K 4.2356 8.5229 117.2216 57.5012 34.2317 174.6673 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 A 8.26 4.28 1.27 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 0.00 0.00 0.00 2 V 7.86 4.29 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 0.86 0.00 0.00 0.93 0.00 0.00 3 Q 8.57 4.28 0.00 2.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 4 Q 8.69 4.11 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 5 N 7.30 4.99 0.00 2.76 2.64 0.00 0.00 6.94 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 6 K 8.43 4.36 0.00 1.71 1.74 0.00 1.62 0.00 0.00 0.84 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.20 0.00 2.08 2.01 0.00 3.74 0.00 0.00 3.94 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 8 T 8.46 4.01 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 1.23 0.00 0.00 9 R 8.56 3.97 0.00 2.00 2.06 0.00 3.09 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 10 S 8.07 4.12 0.00 3.91 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 11 K 8.05 3.77 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.59 7.81 12 R 7.73 3.98 0.00 1.86 2.14 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 G 8.00 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.18 3.97 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.62 0.00 15 R 7.70 3.99 0.00 1.84 2.12 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 R 8.18 4.61 0.00 2.02 1.91 0.00 3.19 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 17 S 7.45 3.99 0.00 3.77 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 18 H 7.83 4.68 0.00 3.18 3.36 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 19 D 7.80 4.50 0.00 2.81 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 20 A 7.76 4.16 1.24 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 0.00 0.00 0.00 21 L 7.99 4.51 0.00 1.64 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.00 4.73 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 23 A 7.96 4.82 1.09 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 0.00 0.00 24 V 8.15 4.41 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 0.86 0.00 0.00 0.96 0.00 0.00 25 T 8.92 3.62 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 1.21 0.00 0.00 26 S 7.49 4.04 0.00 4.17 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 8.09 4.67 0.00 1.93 1.46 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.87 4.86 0.00 3.94 3.67 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 29 V 8.17 5.67 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 0.91 0.00 0.00 0.96 0.00 0.00 30 D 8.62 4.55 0.00 2.59 2.77 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 0.00 0.00 0.00 31 K 8.51 4.25 0.00 1.75 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.49 7.81 32 T 8.09 4.19 4.49 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 1.37 0.00 0.00 33 S 7.27 4.63 0.00 3.66 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 34 G 8.56 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 35 E 8.37 3.72 0.00 1.75 1.92 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 2.12 2.37 0.00 36 K 8.66 4.97 0.00 1.78 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 37 H 9.05 5.07 0.00 3.27 3.39 0.00 5.32 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.24 4.37 0.00 1.73 1.68 0.99 0.92 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 39 R 8.49 3.96 0.00 1.86 1.96 0.00 3.56 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 40 H 10.05 4.56 0.00 3.23 3.45 0.00 5.99 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.22 3.52 0.00 3.01 2.99 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.97 3.23 1.78 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 1.31 0.69 0.91 0.00 0.00 43 T 9.33 4.39 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 1.29 0.00 0.00 44 A 8.11 4.26 1.38 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 0.00 0.00 45 D 7.84 4.73 0.00 2.88 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 46 G 8.22 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 0.00 0.00 0.00 0.00 47 Y 7.76 4.73 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.96 0.00 2.96 1.81 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 49 R 7.99 4.13 0.00 1.37 1.57 0.00 3.04 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 50 G 8.79 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 51 R 8.49 3.21 0.00 1.97 2.02 0.00 3.22 0.00 0.00 3.13 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 52 K 7.89 3.74 0.00 0.79 1.27 0.00 1.30 0.00 0.00 1.42 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.64 0.21 7.81 53 V 8.17 4.08 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 0.79 0.00 0.00 1.02 0.00 0.00 54 I 8.36 3.01 1.85 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 1.33 0.34 0.90 0.00 0.00 55 A 8.63 4.00 1.23 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 0.00 0.00 0.00 56 K 8.52 4.24 0.00 1.93 1.86 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.47 7.81