NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4697 8.3344 116.7950 58.8998 64.2978 171.8508 2 T 4.3417 8.0259 114.3236 60.4587 70.0659 172.2985 3 A 4.2162 9.3305 133.3319 51.6778 20.1133 176.6832 4 L 4.1728 8.3126 122.9676 54.2019 42.5456 177.0506 5 A 4.2244 8.2036 124.7295 51.3390 19.2111 177.2333 6 K 4.0416 8.3959 121.8023 55.6273 32.5731 175.5186 7 P 4.6268 0.0000 0.0000 61.2953 33.0861 174.7688 8 Q 4.1970 8.3828 119.5710 56.2121 29.2474 175.1145 9 M 4.6932 8.6475 122.7372 54.7836 34.3504 175.6408 10 R 4.6033 7.9831 116.9664 55.0843 33.0418 175.3436 11 G 3.9838 8.5047 106.6265 47.0042 0.0000 176.0332 12 L 4.0423 7.8412 120.8603 56.9240 41.8009 178.5644 13 L 3.9527 7.8253 119.9199 57.9268 42.2493 178.5042 14 A 3.9815 7.9255 120.2883 55.1396 18.4823 179.3388 15 R 3.8769 8.1703 117.2705 59.6851 30.0403 178.7818 16 R 4.0265 7.8993 118.2437 59.0547 29.9821 178.2959 17 L 3.9833 8.1316 120.4022 58.3821 41.9972 178.8317 18 R 4.0158 7.8861 116.6170 60.1253 30.3164 178.1499 19 F 4.2238 8.1576 119.0606 61.3726 39.4360 176.8026 20 H 4.4317 8.9168 116.1635 58.9883 28.5676 177.6775 21 I 4.0153 8.4762 120.9522 63.8858 37.6456 178.2570 22 V 3.7850 8.1086 119.4665 66.0601 31.5357 178.2985 23 G 3.7669 8.2835 104.5990 47.6094 0.0000 175.3044 24 A 3.9684 8.5952 123.4727 55.2357 18.3377 179.7603 25 F 3.8805 8.0870 116.2868 60.6548 38.9143 177.7921 26 M 4.0994 8.3685 118.5070 58.5041 31.8381 178.8029 27 V 3.5726 7.8763 118.3918 66.1642 31.5410 178.2940 28 S 3.9142 7.9470 113.9000 61.2693 62.9112 176.2763 29 L 4.2961 8.4232 122.4016 56.6268 41.2856 179.6989 30 G 3.7263 8.0837 106.4723 48.0426 0.0000 175.8028 31 F 4.3482 8.4326 120.5429 60.0345 38.7965 177.8128 32 A 4.1006 8.1270 120.6692 55.5899 18.3517 179.9421 33 T 3.8643 8.3240 108.2416 64.6692 68.6944 176.5183 34 F 4.2590 8.9309 124.4270 61.3710 39.4542 176.5036 35 Y 3.8558 8.2799 119.3260 60.2915 38.5605 177.6459 36 K 3.6700 8.3668 120.9356 59.7287 30.6675 178.7788 37 F 4.2196 7.6782 117.4574 60.2637 38.7912 177.5883 38 A 3.8749 7.6871 118.7214 53.4973 18.3837 177.4118 39 V 3.8409 6.7159 113.4106 63.8190 33.6358 177.3793 40 A 3.8143 7.6425 121.0742 55.3817 18.2413 179.5631 41 E 3.9323 8.6162 117.3293 59.1981 29.3944 179.4625 42 K 3.9022 7.9202 119.3707 59.5968 32.3416 178.7014 43 R 4.0085 7.9993 118.9592 59.3008 29.9883 178.6141 44 K 4.0701 7.9769 118.0849 59.1187 31.9917 179.3408 45 K 3.9502 8.0466 119.3855 59.4713 32.2177 178.6113 46 A 4.0270 8.3438 121.4292 55.6114 18.2093 179.3040 47 Y 3.6936 8.2629 114.6889 60.9908 37.8277 178.1808 48 A 4.1851 8.0285 120.7712 55.1687 18.7420 179.2680 49 D 4.4505 8.8227 117.7228 57.4788 40.7651 178.4078 50 F 3.8312 7.8096 120.0021 61.7117 39.2327 175.8864 51 Y 4.4639 7.9059 114.4546 59.1385 37.9188 177.2101 52 R 4.1328 8.0298 120.7546 59.2454 30.2940 178.4133 53 N 4.9599 7.8448 113.1646 53.0201 39.5836 174.0369 54 Y 4.3126 7.8061 118.6328 56.3194 40.4868 173.5010 55 D 4.4641 7.2804 124.5353 51.6873 43.8973 176.3999 56 S 4.0714 8.1880 124.7228 61.0396 63.0099 176.3116 57 M 4.1227 7.9558 121.9552 58.0499 31.8763 178.2531 58 K 3.8658 8.3185 119.8203 59.5322 32.3462 178.2500 59 D 4.3301 8.0350 118.1665 57.3087 41.1156 177.8669 60 F 4.3589 8.6215 121.4797 61.4369 39.4193 176.7635 61 E 3.7065 8.5499 118.3771 59.6009 29.0984 179.2259 62 E 4.0058 7.9297 116.9274 59.7166 29.6371 179.1920 63 M 4.0289 7.9172 118.7028 58.0464 31.9828 178.6884 64 R 3.9192 8.0914 119.4085 59.4547 30.0682 178.5664 65 K 3.8736 8.2030 117.7520 58.9731 32.1954 177.5981 66 A 4.2980 7.4006 118.9772 51.7416 18.6791 177.6254 67 G 3.8266 7.8752 105.5849 46.1411 0.0000 175.3593 68 I 3.7908 7.5455 115.1484 63.0041 38.1122 176.7234 69 F 4.6908 7.4864 118.1145 57.3404 39.3106 174.9306 70 Q 4.6344 8.8513 119.4135 56.1623 29.2757 176.0433 71 S 4.6372 8.0480 111.2995 58.0112 63.6652 174.5987 72 A 4.5151 7.7238 123.4796 52.0592 19.6003 176.7222 73 K 4.2446 8.4606 119.6237 57.1047 32.3085 177.3047 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 S 8.33 4.47 0.00 3.88 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 2 T 8.03 4.34 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 A 9.33 4.22 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 4 L 8.31 4.17 0.00 1.65 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.20 4.22 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 6 K 8.40 4.04 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.63 0.00 2.22 2.07 0.00 3.81 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 1.96 1.94 0.00 8 Q 8.38 4.20 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 9 M 8.65 4.69 0.00 2.00 2.04 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 2.65 2.51 0.00 10 R 7.98 4.60 0.00 1.77 1.82 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 11 G 8.50 3.98 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 0.00 0.00 0.00 12 L 7.84 4.04 0.00 1.70 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.83 3.95 0.00 1.75 1.65 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.88 0.00 1.98 2.20 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 16 R 7.90 4.03 0.00 2.02 2.03 0.00 3.02 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 17 L 8.13 3.98 0.00 1.81 1.85 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.89 4.02 0.00 1.88 2.07 0.00 3.31 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 19 F 8.16 4.22 0.00 3.20 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 20 H 8.92 4.43 0.00 3.27 3.44 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.48 4.02 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 1.09 0.00 0.00 22 V 8.11 3.79 2.22 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 0.92 0.00 0.00 0.91 0.00 0.00 23 G 8.28 3.77 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 0.00 0.00 0.00 24 A 8.60 3.97 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 25 F 8.09 3.88 0.00 3.22 3.16 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 26 M 8.37 4.10 0.00 2.08 2.31 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 2.65 2.96 0.00 27 V 7.88 3.57 1.93 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 0.73 0.00 0.00 1.02 0.00 0.00 28 S 7.95 3.91 0.00 3.96 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 29 L 8.42 4.30 0.00 1.91 1.86 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.08 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 31 F 8.43 4.35 0.00 3.18 3.18 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 32 A 8.13 4.10 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 33 T 8.32 3.86 4.59 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 0.00 0.00 0.00 1.40 0.00 0.00 34 F 8.93 4.26 0.00 3.22 3.42 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 0.00 0.00 0.00 0.00 35 Y 8.28 3.86 0.00 3.37 3.19 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 0.00 0.00 0.00 0.00 36 K 8.37 3.67 0.00 1.65 1.38 0.00 1.43 0.00 0.00 0.98 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.57 1.17 7.81 37 F 7.68 4.22 0.00 3.06 2.97 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 38 A 7.69 3.87 0.56 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 0.00 0.00 39 V 6.72 3.84 0.99 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 0.54 0.00 0.00 0.60 0.00 0.00 40 A 7.64 3.81 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 41 E 8.62 3.93 0.00 2.14 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 0.00 2.29 2.57 0.00 42 K 7.92 3.90 0.00 1.75 1.89 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.47 7.81 43 R 8.00 4.01 0.00 1.96 2.13 0.00 3.12 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 44 K 7.98 4.07 0.00 1.85 1.88 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.43 7.81 45 K 8.05 3.95 0.00 2.01 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 46 A 8.34 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.69 0.00 3.22 3.23 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 48 A 8.03 4.19 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.82 4.45 0.00 2.86 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 50 F 7.81 3.83 0.00 2.86 2.81 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 51 Y 7.91 4.46 0.00 3.18 3.05 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 0.00 52 R 8.03 4.13 0.00 1.99 2.14 0.00 3.26 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 53 N 7.84 4.96 0.00 2.68 2.75 0.00 0.00 6.77 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.81 4.31 0.00 2.94 2.85 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 55 D 7.28 4.46 0.00 2.52 2.24 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 56 S 8.19 4.07 0.00 4.20 4.32 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 57 M 7.96 4.12 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 58 K 8.32 3.87 0.00 1.76 1.84 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 59 D 8.04 4.33 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.62 4.36 0.00 3.28 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 3.71 0.00 2.25 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 0.00 2.60 2.56 0.00 62 E 7.93 4.01 0.00 2.07 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 2.32 2.63 0.00 63 M 7.92 4.03 0.00 1.60 2.29 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.43 0.00 64 R 8.09 3.92 0.00 1.00 1.75 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 65 K 8.20 3.87 0.00 1.76 1.77 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 66 A 7.40 4.30 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 67 G 7.88 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 68 I 7.55 3.79 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.73 0.00 0.00 69 F 7.49 4.69 0.00 3.37 3.04 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 70 Q 8.85 4.63 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 71 S 8.05 4.64 0.00 3.96 3.98 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 72 A 7.72 4.52 1.45 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 73 K 8.46 4.24 0.00 1.79 1.76 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.41 7.81