NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5129 8.3344 115.3042 58.0435 63.8248 173.0122 3 F 5.0493 8.4974 128.1081 55.1533 42.6528 174.2035 4 S 3.9372 9.0453 121.5798 61.9351 62.6150 176.4352 5 S 3.9017 6.0594 116.8512 61.2582 61.0969 176.3319 6 L 4.0549 7.6203 122.7437 58.2169 41.4843 178.2899 7 Y 4.3251 8.1825 119.5939 60.7400 38.7506 177.9516 8 K 4.4044 8.7062 121.1970 59.1095 31.8806 179.4184 9 T 3.6415 7.6408 109.2470 64.0573 68.5913 175.8543 10 F 4.1793 7.0378 119.1296 58.1255 40.0553 176.4267 11 F 4.7477 7.5832 113.6926 55.7000 41.5216 176.3428 12 K 3.8789 7.7479 122.1933 57.9772 31.0459 176.8982 13 R 4.7449 8.9371 123.0403 56.8397 29.3724 175.0181 14 N 4.8886 7.8702 115.0658 52.0070 40.2006 174.8288 15 A 4.4539 8.2375 123.0302 50.7467 19.4985 177.4581 16 V 3.3009 7.7815 119.5301 62.4407 32.3152 176.6073 17 F 4.7515 8.2697 125.4127 57.0239 40.9978 176.8365 18 V 3.3005 8.4180 114.9076 64.7134 31.3586 179.1095 19 G 3.6386 7.9600 104.5370 48.3254 0.0000 175.7090 20 T 4.0426 7.8442 117.6579 65.9252 68.5538 177.0470 21 I 3.5859 7.5728 121.9061 64.4424 37.1517 178.4320 22 F 4.2158 8.0940 118.5946 60.5246 38.5531 177.6651 23 A 4.0017 7.9498 120.3392 55.0167 18.1666 179.9842 24 G 3.5338 8.3723 104.3127 47.7663 0.0000 175.8942 25 A 4.2272 8.0768 123.0992 54.9205 17.8140 179.8286 26 F 4.5763 7.7713 116.0880 60.8680 39.0143 178.1240 27 V 3.7297 7.8074 118.1160 65.8324 31.3283 177.6725 28 F 4.0557 8.8074 120.9062 61.4891 39.1312 176.6527 29 Q 4.0603 8.4687 119.0139 59.7018 28.8436 178.7693 30 T 3.8420 7.6620 115.3288 66.7037 68.6475 177.0117 31 V 3.5631 7.7050 120.0674 65.9470 31.5607 177.8342 32 F 3.9673 8.2386 120.7919 61.1689 39.0909 176.5836 33 D 4.1466 7.8230 117.3874 57.6092 41.0292 178.3714 34 T 3.8187 7.7861 115.7928 66.4783 68.4632 176.5411 35 A 3.9811 7.9067 122.6006 55.2071 18.3426 179.8028 36 I 3.5647 7.4608 118.2185 64.7886 37.0659 178.8024 37 T 3.9521 7.9406 116.5621 66.7944 68.2929 176.8909 38 S 4.1446 8.2554 117.0118 61.4163 62.9113 176.6108 39 W 4.0138 8.3727 131.0835 60.4131 30.2948 177.4865 40 Y 4.1510 8.7471 119.9285 60.9459 38.1422 177.7942 41 E 3.8522 8.4188 118.5522 59.2569 29.9101 178.5830 42 N 4.2983 8.0984 117.2902 56.7850 38.7794 176.5062 43 H 3.7636 7.5399 118.6728 58.0492 29.9631 176.0018 44 N 4.6951 7.1005 117.0151 51.4287 39.0500 174.1608 45 K 4.0754 6.8761 121.6936 58.3219 32.5646 175.9683 46 G 4.0740 9.5317 114.3183 45.4831 0.0000 174.6312 47 K 4.2383 7.6269 117.5148 57.9327 33.1062 178.1405 48 L 4.2275 7.6918 118.3234 54.0977 43.4862 177.6476 49 W 4.4527 8.8827 131.1739 60.7169 30.4983 178.4496 50 K 3.6158 8.0805 117.8774 59.6282 31.1145 178.8459 51 D 4.2371 7.8524 118.4934 57.2454 40.8067 178.8795 52 V 3.6706 7.6268 118.8366 65.7251 31.3191 178.0710 53 K 3.2674 7.6010 118.5203 58.7487 31.8362 178.2369 54 A 3.9956 7.1551 120.6097 55.1657 18.3207 179.3519 55 R 4.0200 7.0400 115.3578 57.9748 30.9772 177.4297 56 I 3.7254 7.1695 119.3164 61.7417 37.6645 175.3076 57 A 4.4252 8.0836 124.7493 52.3225 21.8763 176.2795 58 A 4.1653 8.2811 121.0691 53.0447 19.0365 176.3667 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 2 S 8.33 4.51 0.00 3.91 3.87 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 3 F 8.50 5.05 0.00 3.14 2.95 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 4 S 9.05 3.94 0.00 3.76 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.06 3.90 0.00 3.63 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 6 L 7.62 4.05 0.00 2.04 2.08 1.20 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.18 4.33 0.00 3.17 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 8 K 8.71 4.40 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.59 7.81 9 T 7.64 3.64 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 1.13 0.00 0.00 10 F 7.04 4.18 0.00 2.59 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 0.00 0.00 0.00 11 F 7.58 4.75 0.00 2.28 2.84 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 12 K 7.75 3.88 0.00 1.95 0.98 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.47 7.81 13 R 8.94 4.74 0.00 1.93 2.03 0.00 3.04 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 14 N 7.87 4.89 0.00 2.91 2.83 0.00 0.00 6.85 7.07 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 15 A 8.24 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.78 3.30 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 0.49 0.00 0.00 -0.09 0.00 0.00 17 F 8.27 4.75 0.00 3.03 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 18 V 8.42 3.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.76 0.00 0.00 19 G 7.96 3.64 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 0.00 0.00 0.00 20 T 7.84 4.04 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 21 I 7.57 3.59 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 0.84 0.00 0.00 22 F 8.09 4.22 0.00 2.96 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 3.53 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 0.00 0.00 0.00 0.00 25 A 8.08 4.23 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 26 F 7.77 4.58 0.00 3.29 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.73 2.31 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 1.06 0.00 0.00 1.05 0.00 0.00 28 F 8.81 4.06 0.00 3.22 3.29 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 29 Q 8.47 4.06 0.00 2.56 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 30 T 7.66 3.84 4.39 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 1.22 0.00 0.00 31 V 7.70 3.56 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 1.00 0.00 0.00 0.98 0.00 0.00 32 F 8.24 3.97 0.00 1.81 2.47 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 0.00 33 D 7.82 4.15 0.00 2.92 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 34 T 7.79 3.82 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 1.21 0.00 0.00 35 A 7.91 3.98 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 36 I 7.46 3.56 1.51 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.11 0.75 0.00 0.00 37 T 7.94 3.95 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 1.26 0.00 0.00 38 S 8.26 4.14 0.00 4.10 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 39 W 8.37 4.01 0.00 3.45 3.37 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 40 Y 8.75 4.15 0.00 3.38 3.21 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 41 E 8.42 3.85 0.00 2.03 1.97 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 2.40 2.57 0.00 42 N 8.10 4.30 0.00 2.80 2.73 0.00 0.00 6.80 7.45 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 43 H 7.54 3.76 0.00 1.82 2.76 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.10 4.70 0.00 2.38 2.57 0.00 0.00 6.51 7.35 0.00 0.00 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 K 6.88 4.08 0.00 1.72 1.62 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.33 7.81 46 G 9.53 4.07 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 47 K 7.63 4.24 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.35 7.81 48 L 7.69 4.23 0.00 1.95 1.61 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.88 4.45 0.00 3.35 3.11 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 0.00 50 K 8.08 3.62 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.58 7.81 51 D 7.85 4.24 0.00 2.78 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 52 V 7.63 3.67 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 1.03 0.00 0.00 1.02 0.00 0.00 53 K 7.60 3.27 0.00 0.79 1.28 0.00 1.73 0.00 0.00 1.49 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.05 7.81 54 A 7.16 4.00 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 55 R 7.04 4.02 0.00 1.84 1.92 0.00 3.16 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 56 I 7.17 3.73 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.96 0.00 0.00 57 A 8.08 4.43 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.17 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