NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9629 8.3549 109.7413 45.6896 0.0000 176.3376 2 I 3.9107 7.3683 120.1122 59.9975 35.3773 174.9453 3 C 4.1867 8.8854 122.8639 58.9801 33.8588 170.9189 4 P 4.3056 0.0000 0.0000 65.9319 31.1894 178.6624 5 R 4.1172 8.2689 116.3932 59.5057 29.9719 178.7758 6 F 4.5062 8.4158 119.5838 61.3931 39.6625 176.8713 7 A 3.8383 8.3213 120.4405 55.3164 18.0617 179.1976 8 H 4.1009 8.0889 116.3487 59.4188 29.9907 177.6608 9 V 3.7338 7.6820 121.2981 65.7125 31.4520 178.0684 10 I 3.6304 7.6106 119.4326 64.2864 36.8042 178.3627 11 E 3.9501 8.1037 119.5030 59.3923 29.2230 179.1384 12 N 4.3519 8.1195 116.5210 56.0662 38.3895 176.9939 13 L 3.3230 7.6538 120.7538 58.1732 42.1536 178.6929 14 L 4.1843 7.7139 116.9688 56.2400 41.9031 177.6603 15 L 4.5772 7.8026 116.4024 54.7939 44.1089 177.1536 16 G 3.8724 7.9086 107.0286 45.1428 0.0000 173.0199 17 T 4.5564 7.8830 109.7085 59.5195 72.2459 173.6629 18 P 4.3939 0.0000 0.0000 65.6363 31.2554 179.0355 19 S 4.1663 8.0312 112.0237 61.0047 62.4562 175.9034 20 S 4.1245 8.0263 117.0557 61.8010 62.3716 176.0016 21 Y 4.0635 7.8040 122.0706 60.0942 38.7017 176.6543 22 E 3.7818 8.2042 120.2851 59.8695 29.1310 179.1527 23 T 3.8665 8.3141 115.6417 66.8960 68.4055 176.6691 24 S 4.0068 8.0464 116.8919 61.5627 62.7617 176.9656 25 L 4.0993 7.3767 121.4857 57.9436 41.3856 179.7299 26 K 4.1731 7.6147 118.0931 59.2608 32.1217 178.6602 27 E 4.0774 8.0241 114.2542 57.4716 29.8089 177.1378 28 F 4.2485 8.3776 118.0754 57.2483 39.5067 175.5358 29 E 3.8194 7.8766 119.4107 56.8800 27.2853 172.5172 30 P 4.1686 0.0000 0.0000 62.0457 32.3672 175.4392 31 D 4.6206 8.4129 118.8078 53.4424 43.4883 176.7568 32 D 4.3242 8.5347 120.6938 57.6846 41.2541 178.1846 33 T 3.8704 7.8668 109.9017 65.1407 68.8148 176.0952 34 M 4.0277 7.9913 121.1933 58.0221 32.0836 178.5792 35 K 3.9872 8.3783 119.9909 59.1848 32.2334 178.2709 36 D 4.2718 8.0882 118.0952 57.3014 41.2118 177.8791 37 A 4.1043 7.9559 121.1124 55.2828 18.3828 179.6115 38 G 3.8059 7.9762 103.4177 48.6559 0.0000 175.8088 39 M 4.3727 8.1884 121.4205 57.6178 31.9120 178.7837 40 Q 3.9486 8.3526 120.4896 59.1829 29.2996 177.6427 41 M 3.9556 7.8567 118.7968 58.6625 32.2812 178.0650 42 K 3.6755 7.9482 119.5694 59.1799 32.1079 178.3838 43 K 3.8331 7.5477 118.4053 59.9293 32.3969 178.8827 44 V 3.7797 7.6145 111.9450 64.2100 31.5467 178.6914 45 L 3.9752 7.7619 118.4844 57.7902 41.2786 179.0616 46 D 4.4864 7.9502 117.6562 56.4227 40.8522 178.1659 47 S 4.2983 7.8542 113.6790 59.0540 63.4636 174.5153 48 L 4.2841 6.9968 122.6362 53.2822 42.4575 175.5508 49 P 4.3743 0.0000 0.0000 63.1168 33.0013 177.2615 50 Q 3.9426 8.5950 120.5742 59.6717 29.0224 178.7470 51 T 3.9021 7.9147 110.2895 65.0210 68.1363 176.3801 52 T 3.8111 7.6681 117.9734 66.7314 68.6643 176.5783 53 R 3.9593 7.9702 119.8410 59.3015 30.0040 178.8712 54 E 3.9155 7.9048 118.7507 59.3234 29.5795 178.6033 55 N 4.4171 8.5079 116.6639 56.0899 38.4311 177.4381 56 I 3.4869 7.3383 120.4969 64.0394 37.0984 177.9937 57 M 3.9470 7.8685 119.1901 58.5236 32.2542 178.3583 58 K 3.9026 7.9258 118.5418 59.5212 32.3711 179.0609 59 L 3.9622 8.6996 121.6397 58.3819 41.7941 179.0214 60 T 3.7789 8.1141 115.7152 66.8542 68.3335 176.1222 61 E 3.9040 8.4431 120.6710 59.8193 29.2801 179.7663 62 K 3.9600 7.6622 118.2034 59.3559 32.5473 178.6074 63 I 3.9895 7.6426 119.9611 63.9987 37.0031 178.5824 64 V 3.7624 7.5294 112.0936 63.3861 31.6676 177.0959 65 K 4.4442 7.6006 117.4290 55.9337 32.2813 176.6947 66 S 4.4960 8.1815 115.0987 57.4476 64.3596 174.1913 67 P 4.1561 0.0000 0.0000 65.8847 31.2357 178.3040 68 L 4.2123 7.2528 116.1475 56.6483 41.4481 177.4804 69 C 4.7752 8.5366 115.3627 59.3977 30.1504 173.8667 70 M 4.2267 7.8952 122.0934 55.3730 30.9927 176.0179 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 G 8.35 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.37 3.91 1.90 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 1.32 0.72 0.93 0.00 0.00 3 C 8.89 4.19 0.00 3.07 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 4 P 0.00 4.31 0.00 2.25 2.12 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 5 R 8.27 4.12 0.00 2.14 2.30 0.00 3.09 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 6 F 8.42 4.51 0.00 2.93 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 7 A 8.32 3.84 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 8 H 8.09 4.10 0.00 3.25 3.52 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.68 3.73 2.38 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 1.27 0.00 0.00 1.27 0.00 0.00 10 I 7.61 3.63 1.52 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.11 0.74 0.00 0.00 11 E 8.10 3.95 0.00 2.23 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 2.29 2.32 0.00 12 N 8.12 4.35 0.00 3.07 2.99 0.00 0.00 6.64 6.73 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 13 L 7.65 3.32 0.00 1.40 1.71 0.19 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.71 4.18 0.00 1.60 1.64 0.85 0.65 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 15 L 7.80 4.58 0.00 1.83 1.65 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.91 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 0.00 0.00 0.00 17 T 7.88 4.56 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 1.23 0.00 0.00 18 P 0.00 4.39 0.00 2.23 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 19 S 8.03 4.17 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 20 S 8.03 4.12 0.00 4.15 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 4.06 0.00 2.93 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 22 E 8.20 3.78 0.00 2.07 1.95 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 2.27 2.31 0.00 23 T 8.31 3.87 4.43 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 1.23 0.00 0.00 24 S 8.05 4.01 0.00 3.93 4.05 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 25 L 7.38 4.10 0.00 1.84 1.66 0.18 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.61 4.17 0.00 1.65 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 27 E 8.02 4.08 0.00 1.81 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 2.23 1.47 0.00 28 F 8.38 4.25 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 3.82 0.00 2.14 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 0.00 2.22 2.20 0.00 30 P 0.00 4.17 0.00 2.18 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 31 D 8.41 4.62 0.00 2.77 2.59 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 0.00 32 D 8.53 4.32 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 33 T 7.87 3.87 4.25 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 1.34 0.00 0.00 34 M 7.99 4.03 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 35 K 8.38 3.99 0.00 2.05 1.80 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.42 7.81 36 D 8.09 4.27 0.00 2.97 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.96 4.10 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 38 G 7.98 3.81 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 0.00 0.00 0.00 39 M 8.19 4.37 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.94 0.00 40 Q 8.35 3.95 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 41 M 7.86 3.96 0.00 2.30 2.07 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 2.58 2.49 0.00 42 K 7.95 3.68 0.00 1.58 1.99 0.00 1.49 0.00 0.00 1.23 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.55 7.81 43 K 7.55 3.83 0.00 1.90 2.00 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 44 V 7.61 3.78 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 0.77 0.00 0.00 0.98 0.00 0.00 45 L 7.76 3.98 0.00 1.61 1.64 0.81 1.11 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 46 D 7.95 4.49 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.30 0.00 4.01 3.97 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 48 L 7.00 4.28 0.00 1.80 1.61 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.32 2.18 0.00 3.42 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 50 Q 8.59 3.94 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 51 T 7.91 3.90 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 52 T 7.67 3.81 4.34 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 1.19 0.00 0.00 53 R 7.97 3.96 0.00 1.95 2.11 0.00 3.13 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 54 E 7.90 3.92 0.00 2.17 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 0.00 2.29 2.37 0.00 55 N 8.51 4.42 0.00 2.99 2.84 0.00 0.00 7.07 7.51 0.00 0.00 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 I 7.34 3.49 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.87 0.00 0.00 57 M 7.87 3.95 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 58 K 7.93 3.90 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 59 L 8.70 3.96 0.00 1.65 1.86 0.91 0.82 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 60 T 8.11 3.78 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 1.13 0.00 0.00 61 E 8.44 3.90 0.00 2.15 2.03 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 2.33 2.39 0.00 62 K 7.66 3.96 0.00 1.89 2.06 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 63 I 7.64 3.99 2.00 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 1.52 0.88 0.92 0.00 0.00 64 V 7.53 3.76 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 0.68 0.00 0.00 0.99 0.00 0.00 65 K 7.60 4.44 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.49 7.81 66 S 8.18 4.50 0.00 4.02 4.19 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 67 P 0.00 4.16 0.00 2.21 2.11 0.00 3.60 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 2.11 2.17 0.00 68 L 7.25 4.21 0.00 1.83 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.54 4.78 0.00 3.13 3.07 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 70 M 7.90 4.23 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00