NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3159 8.2644 123.5815 51.4425 20.7824 177.2117 2 K 4.0565 7.9592 114.6656 54.1603 33.9499 174.0972 3 T 3.8334 7.8242 109.1056 60.3916 70.3814 170.3629 4 I 4.0218 7.3807 117.2667 60.5980 41.4204 172.4549 5 K 4.9817 8.3301 129.3953 55.5339 33.8087 175.7021 6 I 4.9762 9.1314 125.7241 59.9337 40.4029 174.8450 7 T 4.9736 8.7571 121.1718 62.0077 72.1863 175.0882 8 Q 3.8279 8.9037 125.1409 57.1224 29.8097 177.7504 9 T 3.6370 8.3907 116.6083 62.7523 66.9713 171.4133 10 R 4.6605 8.9296 118.3676 54.0493 33.3835 174.2822 11 S 4.1712 8.6621 116.9566 59.0873 62.7086 173.8420 12 A 4.6730 8.3086 125.4087 52.0682 18.9619 178.2149 13 I 3.9028 7.1897 119.7723 64.7509 37.5992 177.8219 14 G 3.8504 7.8183 109.2326 46.6224 0.0000 173.5878 15 R 4.3008 7.5233 118.7844 55.4145 31.0376 177.0204 16 L 4.2641 8.2575 119.1543 53.9518 43.6656 176.6360 17 P 4.2797 0.0000 0.0000 65.7121 31.3477 179.0336 18 K 3.8787 8.0965 116.6555 59.9304 32.0389 178.5031 19 H 4.1881 8.1824 115.7329 59.2427 28.6949 177.1055 20 K 3.8357 8.2113 119.4506 59.8230 32.1016 179.0176 21 A 4.0482 8.5167 121.0377 55.6363 18.0439 179.9995 22 T 3.8442 7.9751 114.1546 66.6649 68.1552 176.7000 23 L 3.9012 7.7386 121.0745 58.0676 41.5541 179.0901 24 L 4.0312 7.9639 119.7896 58.5593 41.7527 179.1467 25 G 3.4535 7.8288 104.1829 47.9879 0.0000 174.8583 26 L 4.2103 8.2445 119.4860 54.5882 42.4839 176.8783 27 G 3.9501 8.7547 108.4428 46.6629 0.0000 173.9170 28 L 4.7174 7.5429 116.4880 53.0316 43.7996 177.2464 29 R 4.2211 8.5421 122.7882 57.8979 30.8300 176.6750 30 R 4.7113 7.3368 114.5131 53.7024 34.3729 174.3844 31 I 3.6679 8.2255 113.1650 62.7697 37.5478 176.1201 32 G 3.8285 8.8559 112.7330 46.7890 0.0000 174.3515 33 H 4.2492 7.9819 119.9831 57.8847 30.0797 172.1813 34 T 3.6134 8.2083 122.2909 62.9293 68.6172 171.1999 35 V 4.4674 8.7207 123.6351 60.7498 35.5761 172.6681 36 E 5.0319 8.6603 120.6117 54.8107 31.3071 175.8722 37 R 4.7541 9.0875 123.5134 53.8292 34.3839 175.1787 38 E 4.3545 8.9099 121.2648 56.4984 30.5749 176.1390 39 D 4.8442 8.1746 118.1329 54.4278 42.0859 177.0945 40 T 4.1243 7.6061 111.0326 61.2018 69.7241 171.5206 41 P 4.4682 0.0000 0.0000 64.0717 31.2183 178.8779 42 A 3.9729 7.8193 120.5526 55.1506 18.6676 179.3548 43 I 3.8439 7.6423 110.4101 63.2460 38.0038 178.0736 44 R 3.9894 7.9971 121.2128 59.0960 30.0261 178.1916 45 G 3.7993 8.1585 105.6945 48.2955 0.0000 175.4934 46 M 4.0573 7.7410 120.5967 58.2080 31.8223 178.6552 47 I 3.6287 7.5835 119.7532 64.5559 37.2603 177.9499 48 N 4.2570 8.2983 117.2850 56.5425 38.6151 176.3445 49 A 4.0454 7.3162 120.4845 55.2309 18.5876 180.0722 50 V 3.7533 7.3963 109.0576 60.7766 32.5344 178.4678 51 S 4.1485 8.4352 116.5949 60.7924 62.5255 176.5009 52 F 4.4541 7.9460 113.6200 58.5344 37.5177 174.8693 53 M 4.9513 7.4409 120.0979 54.0376 30.4969 175.2126 54 V 4.6781 7.6406 110.4523 61.1601 36.5269 174.4130 55 K 4.8029 9.1287 124.5972 54.5743 35.3517 175.1583 56 V 4.9036 8.2776 124.3993 59.9681 34.4250 174.3236 57 E 4.7946 9.4235 124.2707 54.2639 32.5874 176.1685 58 E 4.2360 8.7557 121.1647 56.3679 29.8784 175.6890 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 4.32 1.30 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 0.00 0.00 0.00 2 K 7.96 4.06 0.00 1.76 1.80 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.54 7.81 3 T 7.82 3.83 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 1.20 0.00 0.00 4 I 7.38 4.02 1.86 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 1.02 0.98 0.00 0.00 5 K 8.33 4.98 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.44 7.81 6 I 9.13 4.98 1.85 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 1.21 0.70 0.88 0.00 0.00 7 T 8.76 4.97 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 1.22 0.00 0.00 8 Q 8.90 3.83 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.01 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 9 T 8.39 3.64 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 1.23 0.00 0.00 10 R 8.93 4.66 0.00 1.79 1.77 0.00 3.49 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 11 S 8.66 4.17 0.00 3.88 3.80 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 12 A 8.31 4.67 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 13 I 7.19 3.90 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 0.92 0.00 0.00 14 G 7.82 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.52 4.30 0.00 1.94 2.06 0.00 3.32 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 16 L 8.26 4.26 0.00 1.51 1.51 0.84 0.97 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 17 P 0.00 4.28 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 K 8.10 3.88 0.00 1.76 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.53 7.81 19 H 8.18 4.19 0.00 3.54 3.47 0.00 5.64 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 20 K 8.21 3.84 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.51 7.81 21 A 8.52 4.05 1.40 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 22 T 7.98 3.84 4.50 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 1.18 0.00 0.00 23 L 7.74 3.90 0.00 1.89 1.74 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.96 4.03 0.00 1.72 1.91 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.83 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.21 0.00 1.81 1.72 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.75 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 0.00 0.00 0.00 28 L 7.54 4.72 0.00 1.64 1.60 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.54 4.22 0.00 1.54 1.87 0.00 3.27 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 30 R 7.34 4.71 0.00 1.84 1.75 0.00 3.16 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 31 I 8.23 3.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.96 0.00 0.00 32 G 8.86 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 33 H 7.98 4.25 0.00 3.29 3.35 0.00 6.08 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.21 3.61 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 1.17 0.00 0.00 35 V 8.72 4.47 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 0.80 0.00 0.00 0.93 0.00 0.00 36 E 8.66 5.03 0.00 1.83 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 2.18 2.27 0.00 37 R 9.09 4.75 0.00 1.69 1.75 0.00 3.18 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 38 E 8.91 4.35 0.00 1.82 1.91 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 2.32 2.39 0.00 39 D 8.17 4.84 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.12 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 1.27 0.00 0.00 41 P 0.00 4.47 0.00 2.20 2.06 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 42 A 7.82 3.97 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 43 I 7.64 3.84 1.86 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 1.66 0.62 0.90 0.00 0.00 44 R 8.00 3.99 0.00 2.10 1.95 0.00 3.15 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 1.62 1.68 0.00 45 G 8.16 3.80 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 0.00 0.00 0.00 46 M 7.74 4.06 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 47 I 7.58 3.63 2.01 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 1.37 0.97 0.87 0.00 0.00 48 N 8.30 4.26 0.00 2.84 2.96 0.00 0.00 7.06 7.52 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 49 A 7.32 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.40 3.75 1.59 0.00 0.00 0.00 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 0.81 0.00 0.00 51 S 8.44 4.15 0.00 3.92 4.27 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 52 F 7.95 4.45 0.00 3.14 3.25 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 53 M 7.44 4.95 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.88 0.00 54 V 7.64 4.68 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 0.50 0.00 0.00 0.89 0.00 0.00 55 K 9.13 4.80 0.00 1.76 1.59 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 56 V 8.28 4.90 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 0.79 0.00 0.00 0.97 0.00 0.00 57 E 9.42 4.79 0.00 1.85 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 2.19 2.20 0.00 58 E 8.76 4.24 0.00 2.03 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 2.16 2.25 0.00