NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3978 8.3044 120.3485 55.0326 32.3653 174.2869 2 V 3.4508 8.5464 126.5024 64.3011 31.4864 174.5561 3 I 4.4268 7.8777 121.3032 59.1689 40.5638 173.6883 4 A 4.6140 9.5225 131.9506 50.5399 20.9008 177.7268 5 T 3.8527 8.3775 115.3653 67.1209 68.4506 176.5057 6 D 4.6667 7.9916 118.5680 56.0605 41.0060 176.5240 7 D 4.6520 8.0212 118.2636 54.9671 41.6922 176.9268 8 L 4.5911 7.7173 118.4105 55.3187 44.1341 176.2917 9 E 5.1144 8.6254 116.5339 54.3340 33.2509 175.8056 10 V 4.5020 8.8759 122.6496 60.5054 34.6712 174.6864 11 A 4.3163 8.6553 128.8765 52.3897 19.2144 176.6748 12 C 4.2681 8.7676 123.7866 58.6231 32.1668 172.8125 13 P 4.2385 0.0000 0.0000 65.8454 31.2924 177.6661 14 K 4.0167 8.1912 119.1042 59.0264 32.3884 177.0264 15 C 4.3790 8.0745 110.9256 57.2490 30.7305 172.7243 16 E 4.0042 8.7851 119.1728 57.7314 26.9471 175.2927 17 R 4.3367 8.0275 116.4132 56.4660 29.9694 176.3835 18 A 4.0464 8.0050 119.6530 52.9378 18.7788 179.3765 19 G 4.0406 8.4248 103.0885 45.6273 0.0000 172.8009 20 E 4.7430 7.7611 118.3004 54.2152 32.8849 174.4071 21 I 4.2357 8.6195 126.2432 61.0141 39.4480 176.3948 22 E 3.7149 9.7127 127.8592 57.4296 26.8410 174.5405 23 G 4.3075 8.1814 112.4474 45.9598 0.0000 173.9922 24 T 3.9426 7.9201 118.4792 62.1127 68.6683 172.2383 25 P 4.4578 0.0000 0.0000 62.8118 31.8221 175.5505 26 C 4.2676 8.4824 122.4336 58.8573 31.8032 172.6025 27 P 4.3495 0.0000 0.0000 64.8517 31.6109 177.6547 28 A 4.1192 8.2702 120.8564 55.0799 18.5011 178.0530 29 C 4.5465 8.0197 108.1777 57.0723 30.5342 173.9395 30 S 3.7466 8.9663 112.4595 59.5983 61.1190 170.7313 31 G 4.2557 8.2512 110.5049 46.3946 0.0000 173.8742 32 K 3.9703 7.7485 118.0941 57.4353 32.3686 178.4282 33 G 3.9787 9.3076 106.1157 45.1729 0.0000 172.5140 34 V 4.8821 7.2306 117.4409 61.3260 34.9564 173.7194 35 I 4.5957 8.8779 127.0296 59.3461 40.0221 175.1103 36 L 4.6097 8.3345 126.2091 54.7344 42.6178 176.9797 37 T 4.3505 8.7490 113.4862 60.7816 70.7340 175.6272 38 A 4.0929 8.7682 122.9037 55.4885 18.1897 179.3946 39 Q 4.0487 8.2404 117.6255 59.4336 29.1026 178.8518 40 G 3.5504 7.9441 106.2274 47.9274 0.0000 175.4238 41 Y 4.1971 8.1806 119.2252 61.0836 37.9051 178.1671 42 T 3.9688 8.1314 116.7142 67.1570 68.5914 176.3495 43 L 4.1535 7.8700 119.9156 57.7940 41.6441 179.4209 44 L 3.9794 8.0668 120.3132 58.2220 42.0838 178.5459 45 D 4.3594 8.9406 118.3826 57.1766 41.0561 177.9121 46 F 4.2947 8.4059 121.2077 61.5050 39.3873 177.1581 47 I 3.3176 7.9585 119.4522 64.3722 36.6748 178.2883 48 Q 3.9084 8.1626 119.7089 58.5879 28.9506 177.7068 49 K 4.1515 7.8077 118.2394 58.4733 33.1507 177.6353 50 H 4.6464 7.3729 115.7622 55.0222 30.5436 174.7652 51 L 3.8105 7.3601 123.1023 56.2630 42.7753 176.0510 52 N 4.1657 8.7672 121.6733 54.3806 34.7998 174.3650 53 K 4.1741 7.7262 120.4893 56.9722 32.8092 176.4244 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 M 8.30 4.40 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 8.55 3.45 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.88 4.43 1.87 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 1.35 1.06 0.91 0.00 0.00 4 A 9.52 4.61 1.29 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 0.00 0.00 5 T 8.38 3.85 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 6 D 7.99 4.67 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.02 4.65 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.59 0.00 1.69 1.64 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.63 5.11 0.00 1.74 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 2.16 2.17 0.00 10 V 8.88 4.50 2.18 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 0.79 0.00 0.00 0.93 0.00 0.00 11 A 8.66 4.32 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 12 C 8.77 4.27 0.00 3.04 2.88 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 0.00 0.00 0.00 13 P 0.00 4.24 0.00 2.22 2.17 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 8.19 4.02 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 15 C 8.07 4.38 0.00 3.27 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 16 E 8.79 4.00 0.00 2.09 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 2.27 2.33 0.00 17 R 8.03 4.34 0.00 1.91 2.19 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 18 A 8.01 4.05 1.37 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 19 G 8.42 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 20 E 7.76 4.74 0.00 1.91 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 2.21 2.40 0.00 21 I 8.62 4.24 1.87 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 0.86 0.91 0.00 0.00 22 E 9.71 3.71 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 23 G 8.18 4.31 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 0.00 24 T 7.92 3.94 4.33 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 1.21 0.00 0.00 25 P 0.00 4.46 0.00 2.17 2.07 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 C 8.48 4.27 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.09 2.09 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 28 A 8.27 4.12 1.29 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 0.00 0.00 29 C 8.02 4.55 0.00 3.26 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 30 S 8.97 3.75 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 3.97 0.00 1.90 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.38 7.81 33 G 9.31 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 34 V 7.23 4.88 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 0.86 0.00 0.00 0.91 0.00 0.00 35 I 8.88 4.60 1.87 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 0.80 0.94 0.00 0.00 36 L 8.33 4.61 0.00 0.86 1.10 0.33 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.75 4.35 4.26 0.00 0.00 0.00 0.00 0.00 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 38 A 8.77 4.09 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 39 Q 8.24 4.05 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 40 G 7.94 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 41 Y 8.18 4.20 0.00 3.21 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 42 T 8.13 3.97 4.46 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 1.23 0.00 0.00 43 L 7.87 4.15 0.00 1.72 1.81 0.95 1.01 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 44 L 8.07 3.98 0.00 1.83 1.80 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.94 4.36 0.00 3.07 2.76 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 0.00 0.00 0.00 46 F 8.41 4.29 0.00 3.22 3.36 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 47 I 7.96 3.32 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.77 0.86 0.00 0.00 48 Q 8.16 3.91 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 49 K 7.81 4.15 0.00 1.91 2.01 0.00 1.46 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.07 7.81 50 H 7.37 4.65 0.00 2.72 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.36 3.81 0.00 1.81 1.52 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.77 4.17 0.00 2.91 2.91 0.00 0.00 6.87 7.61 0.00 0.00 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 K 7.73 4.17 0.00 1.82 1.73 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81