NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.5645 8.4331 116.3211 54.5291 30.3225 173.0671 0 G 3.8722 9.4491 114.1082 43.1537 0.0000 172.1842 1 S 4.5518 7.7733 114.3375 56.1506 66.8537 173.5998 2 A 4.0309 8.6168 123.1911 55.1867 18.1154 179.8731 3 S 4.0657 7.4553 110.8127 60.6937 62.7788 175.0260 4 F 4.6132 7.8801 117.2600 56.9668 39.3587 175.4163 5 L 4.6406 7.4116 121.3012 52.6077 42.9757 176.6870 6 K 4.0972 8.6065 121.9745 56.6352 32.6644 177.1530 7 K 4.1904 8.9600 125.6741 58.9969 32.5609 176.2681 8 T 5.1567 7.5920 105.8281 60.0930 72.2919 172.8540 9 M 4.9324 8.9602 122.1173 53.4295 35.7148 172.9371 10 P 5.1346 0.0000 0.0000 62.5651 33.2841 174.7927 11 F 5.1690 8.6606 114.5451 55.6641 41.6251 173.3435 12 K 5.2073 8.7385 117.7968 55.2552 36.0754 175.9386 13 T 4.9699 9.0555 118.9189 62.1240 73.2424 172.9476 14 T 5.1068 8.6026 114.2796 60.0213 71.6493 173.1066 15 I 4.6993 8.9877 125.9560 59.4310 40.8768 174.0656 16 E 4.6056 8.4608 126.6195 54.4908 32.9289 174.2990 17 G 3.7430 7.0653 111.6738 46.3644 0.0000 171.9244 18 T 5.3314 8.3694 115.5772 61.9568 72.4114 174.1822 19 V 4.1895 8.8499 125.8855 61.9805 33.5700 175.1008 20 N 4.2572 9.9595 125.4307 54.3725 36.0363 175.4623 21 G 3.9343 8.5382 105.2540 45.4692 0.0000 173.2578 22 H 4.7567 8.2487 121.1773 55.1673 30.7292 173.6555 23 Y 5.0692 8.6241 127.8982 57.5817 40.2971 173.9050 24 F 4.8610 7.5291 119.4543 55.5460 42.0159 172.8467 25 K 4.9936 8.9706 120.4306 55.0477 35.7282 174.7612 26 C 5.6152 9.6211 123.5571 58.2345 32.8170 172.9683 27 T 5.1887 8.7482 110.5498 60.3707 72.0717 172.9146 28 G 4.5425 8.9215 108.2684 45.3389 0.0000 171.7168 29 K 4.9815 8.8362 121.2845 55.0447 36.3468 175.3137 30 G 3.5459 8.0993 111.8631 45.7952 0.0000 171.1337 31 E 5.1111 8.4204 119.2519 54.9921 33.6454 174.2092 32 G 4.5252 9.1244 111.1322 45.3440 0.0000 170.6805 33 N 5.4772 9.1701 118.6658 50.4973 39.7001 173.3826 34 P 4.0814 0.0000 0.0000 65.4619 31.5440 178.1113 35 F 4.4228 7.9225 114.2874 59.0831 39.4004 176.6452 36 E 4.1715 8.3145 118.5880 56.7430 29.6898 176.6841 37 G 3.8587 8.1446 106.8525 46.7244 0.0000 173.3021 38 T 4.9177 7.4463 108.0873 59.7965 72.2841 172.3948 39 Q 5.0687 8.3614 118.7829 55.9230 31.3605 172.6145 40 E 4.9993 9.1447 120.4873 55.1253 33.5219 173.7146 41 M 5.1292 8.5879 121.0197 53.6807 35.1405 173.6176 42 K 4.5439 9.0047 121.6198 54.7683 34.6515 174.6740 43 I 5.0316 8.3131 127.6910 59.5694 39.6930 174.6019 44 E 4.6462 9.2990 126.4084 54.3434 32.4002 175.3464 45 V 4.4313 8.4922 125.1199 62.7942 31.5271 175.2990 46 I 4.4469 8.9084 121.9544 61.2255 39.5063 175.7350 47 E 4.6408 7.9040 121.4353 55.4720 33.7725 176.5810 48 G 4.0438 8.7555 110.0631 46.6911 0.0000 173.5763 49 G 4.0166 7.6646 107.7580 43.1007 0.0000 172.3166 50 P 4.3818 0.0000 0.0000 61.6849 32.1825 176.4154 51 L 3.6321 8.1033 121.0632 54.6285 41.8084 175.1106 52 P 4.6162 0.0000 0.0000 62.3929 31.4467 175.1636 53 F 4.8912 6.6334 111.9155 55.0158 40.7727 173.7981 54 A 4.1372 8.6608 124.4211 52.1218 18.8065 178.5339 55 F 4.0534 9.1175 124.9122 61.6911 39.2861 176.8006 56 H 4.2715 8.9416 117.0496 58.0958 28.2636 176.8981 57 I 3.8908 7.4386 112.5040 62.5859 37.7310 177.0360 58 L 4.3239 7.8346 120.4847 54.6445 41.5265 178.2757 59 S 4.0559 7.5264 116.8188 61.8927 62.8464 176.2974 60 T 4.2237 7.7850 106.3649 62.7726 68.7806 174.7906 61 S 4.5908 7.7089 117.4749 58.8201 64.1650 173.9543 62 C 4.3671 7.5984 121.8979 60.1347 27.7880 173.4088 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 H 8.43 4.56 0.00 3.26 3.47 0.00 5.72 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 0 G 9.45 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 0.00 0.00 0.00 1 S 7.77 4.55 0.00 4.03 4.02 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 0.00 0.00 0.00 0.00 2 A 8.62 4.03 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 3 S 7.46 4.07 0.00 3.20 3.47 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 4 F 7.88 4.61 0.00 3.35 3.13 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 0.00 0.00 0.00 5 L 7.41 4.64 0.00 1.68 1.55 0.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.61 4.10 0.00 1.86 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.50 7.81 7 K 8.96 4.19 0.00 1.80 1.81 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.46 7.81 8 T 7.59 5.16 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 1.23 0.00 0.00 9 M 8.96 4.93 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 10 P 0.00 5.13 0.00 2.09 2.00 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 11 F 8.66 5.17 0.00 3.07 3.08 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 12 K 8.74 5.21 0.00 1.65 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.46 7.81 13 T 9.06 4.97 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 1.41 0.00 0.00 14 T 8.60 5.11 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 1.24 0.00 0.00 15 I 8.99 4.70 2.01 0.00 0.00 1.00 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 0.96 1.08 0.00 0.00 16 E 8.46 4.61 0.00 1.85 1.69 0.00 0.00 0.00 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 2.18 0.00 17 G 7.07 3.74 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 0.00 0.00 0.00 18 T 8.37 5.33 4.29 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 1.33 0.00 0.00 19 V 8.85 4.19 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 0.39 0.00 0.00 0.69 0.00 0.00 20 N 9.96 4.26 0.00 2.85 2.89 0.00 0.00 7.27 7.65 0.00 0.00 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 G 8.54 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.25 4.76 0.00 3.41 3.61 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.62 5.07 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.53 4.86 0.00 3.21 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 25 K 8.97 4.99 0.00 1.68 1.62 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.50 7.81 26 C 9.62 5.62 0.00 2.97 2.98 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 27 T 8.75 5.19 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 1.24 0.00 0.00 28 G 8.92 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 4.98 0.00 1.76 1.51 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.27 7.81 30 G 8.10 3.55 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 0.00 0.00 0.00 31 E 8.42 5.11 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 32 G 9.12 4.53 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 33 N 9.17 5.48 0.00 2.77 2.73 0.00 0.00 7.13 7.68 0.00 0.00 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 P 0.00 4.08 0.00 1.39 1.82 0.00 4.23 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 35 F 7.92 4.42 0.00 3.08 3.13 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 0.00 0.00 0.00 36 E 8.31 4.17 0.00 2.00 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 0.00 2.36 2.43 0.00 37 G 8.14 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 0.00 0.00 0.00 38 T 7.45 4.92 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 1.29 0.00 0.00 39 Q 8.36 5.07 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 40 E 9.14 5.00 0.00 2.05 1.76 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 2.20 2.27 0.00 41 M 8.59 5.13 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 42 K 9.00 4.54 0.00 1.75 1.63 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.32 7.81 43 I 8.31 5.03 1.80 0.00 0.00 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 1.60 0.76 1.09 0.00 0.00 44 E 9.30 4.65 0.00 1.83 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 2.18 2.19 0.00 45 V 8.49 4.43 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 0.89 0.00 0.00 0.92 0.00 0.00 46 I 8.91 4.45 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.99 0.00 0.00 47 E 7.90 4.64 0.00 1.96 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 2.38 2.38 0.00 48 G 8.76 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 49 G 7.66 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.38 0.00 2.12 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 51 L 8.10 3.63 0.00 1.18 0.45 0.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.62 0.00 2.17 2.04 0.00 3.11 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.53 0.00 53 F 6.63 4.89 0.00 3.04 2.99 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 0.00 0.00 0.00 54 A 8.66 4.14 1.36 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 0.00 0.00 0.00 55 F 9.12 4.05 0.00 3.08 3.06 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 56 H 8.94 4.27 0.00 3.27 3.40 0.00 6.15 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 57 I 7.44 3.89 1.78 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.40 0.88 0.00 0.00 58 L 7.83 4.32 0.00 0.74 1.40 0.69 0.80 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 59 S 7.53 4.06 0.00 3.88 3.93 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 0.00 0.00 0.00 0.00 60 T 7.78 4.22 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 61 S 7.71 4.59 0.00 3.95 3.93 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 0.00 0.00 0.00 0.00 62 C 7.60 4.37 0.00 3.08 2.99 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 0.00 0.00 0.00