NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4764 8.1627 120.2747 54.2076 34.0941 174.2497 2 E 4.5896 8.0600 131.0273 54.3341 31.6728 173.2964 3 I 4.7533 8.5164 126.4773 59.3977 42.4006 174.9541 4 D 4.7828 8.0806 128.7435 55.4201 42.7395 176.9915 5 E 4.2464 7.6203 121.7127 57.0713 27.5748 176.2966 6 G 4.1650 7.9955 102.0287 46.1859 0.0000 171.4236 7 K 4.5143 7.8426 121.0210 56.3165 33.0181 175.3652 8 Y 4.8517 9.1051 125.2806 56.5249 40.8085 174.2496 9 E 5.0470 9.1795 124.1443 54.2440 32.7459 174.4010 10 C 3.7872 9.0526 128.1178 59.1820 31.8671 174.0755 11 E 4.0649 8.5584 126.5447 58.2232 29.4204 178.3297 12 A 4.2847 7.8580 121.6600 53.8647 19.2070 177.8537 13 C 4.6095 8.0328 107.4971 58.5906 31.7055 174.7322 14 G 4.1615 7.9697 108.4461 45.3354 0.0000 172.9340 15 Y 4.3651 8.0365 120.4588 56.8420 40.6925 174.3046 16 I 4.9193 6.6163 123.9297 59.4263 39.7220 174.6515 17 Y 4.6624 9.6091 130.4783 57.6031 40.1434 174.0690 18 E 4.2781 8.2301 126.6017 54.1112 30.6164 174.5281 19 P 4.6547 0.0000 0.0000 64.4060 32.4058 177.9469 20 E 3.8322 8.0698 120.6072 57.7543 29.6338 179.0568 21 K 3.9532 7.8930 119.0235 56.0872 32.9224 177.6739 22 G 4.3226 8.2418 101.8809 47.4762 0.0000 173.6201 23 D 4.7929 8.2211 119.5143 52.4711 37.7536 177.2433 24 K 3.5906 8.0670 121.7389 60.0403 32.6407 176.8670 25 F 4.1718 8.6051 116.1363 59.3542 39.1389 176.5799 26 A 4.5844 9.4426 120.0522 52.9558 19.6576 176.8068 27 G 3.5923 7.9455 103.4987 45.2855 0.0000 173.3072 28 I 4.3099 7.7992 122.7741 58.8265 38.8119 174.0650 29 P 4.9485 0.0000 0.0000 61.2038 32.5573 174.2735 30 P 4.9563 0.0000 0.0000 63.3679 32.4443 175.5742 31 G 4.0181 7.9727 103.2271 46.8085 0.0000 174.2004 32 T 4.4775 7.4835 115.2825 61.0106 72.1760 172.3313 33 P 4.7205 0.0000 0.0000 62.0622 32.4840 177.0747 34 F 3.5121 8.8912 122.0565 61.3058 39.1436 177.5748 35 V 3.6793 7.7615 112.0448 63.2918 31.3953 175.9006 36 D 4.5627 7.9487 118.2123 53.4743 41.2359 175.7481 37 L 3.8123 6.8525 118.2338 54.9878 41.6195 176.6391 38 S 4.3245 8.0268 115.0649 58.3185 63.2772 175.2834 39 D 4.0377 8.4631 120.8798 56.9537 41.5652 176.4083 40 S 4.6910 7.2587 113.9427 57.3037 63.7883 174.0265 41 F 4.2809 7.8857 123.5079 58.4927 40.8607 174.4175 42 M 4.9149 7.1662 123.9607 52.9442 34.9139 175.1855 43 C 4.2943 8.9086 123.7302 59.1705 32.3745 172.7295 44 P 4.2960 0.0000 0.0000 64.1018 31.6327 176.5304 45 A 4.5559 7.7619 121.2443 53.1627 20.5367 177.0022 46 C 4.6991 7.6491 106.8929 57.0788 30.5495 174.5659 47 R 3.9112 8.3325 117.5378 57.2833 28.1469 176.5319 48 S 4.4619 7.4471 113.2122 57.2339 63.6581 172.0204 49 P 4.6366 0.0000 0.0000 62.2941 31.9079 177.3718 50 K 3.4765 9.0523 122.6811 59.8077 32.1487 178.3197 51 N 4.6390 8.2786 114.4147 55.4584 38.6762 175.2852 52 Q 4.3259 9.3405 119.9763 56.8776 29.5652 175.1008 53 F 4.6252 8.5648 116.2086 57.6703 40.3513 175.1527 54 K 4.4717 8.5608 122.2305 54.4037 35.6439 176.0599 55 S 3.1798 7.5657 121.6820 58.5199 63.9027 174.8560 56 I 4.2821 7.3977 116.7912 59.8207 38.8213 174.5455 57 K 4.6926 7.5847 129.7016 53.8134 30.2745 175.4250 58 K 4.6601 7.5526 122.2593 54.5114 37.0301 175.5746 59 V 4.6755 8.3890 123.9357 61.2800 33.7539 174.6436 60 I 4.6127 8.6649 129.1434 59.7007 39.8034 175.4186 61 A 4.1534 8.1824 125.2020 51.7018 21.5655 175.6300 62 G 3.9444 8.3264 107.0237 45.3063 0.0000 172.4413 63 F 4.8072 8.1920 120.8780 56.3070 40.1586 175.6866 64 A 4.6419 5.8851 121.4813 50.7241 21.9774 176.2341 65 E 4.6253 8.1224 119.2451 55.9271 31.9549 175.3913 66 N 4.7441 7.9308 126.4525 51.4296 38.5379 173.3432 67 Q 4.5700 7.1690 114.6281 55.7870 31.5406 173.9661 68 K 4.5241 7.9968 116.9947 56.4299 33.2485 175.3497 69 Y 3.4823 9.2528 114.8741 57.8359 36.4899 170.1062 70 G 3.9672 7.8169 111.0962 45.7163 0.0000 171.4803 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 8.16 4.48 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 2 E 8.06 4.59 0.00 1.94 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 2.17 2.39 0.00 3 I 8.52 4.75 2.05 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 1.16 0.73 0.94 0.00 0.00 4 D 8.08 4.78 0.00 2.62 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 5 E 7.62 4.25 0.00 2.09 1.86 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 2.54 2.38 0.00 6 G 8.00 4.17 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 0.00 0.00 0.00 7 K 7.84 4.51 0.00 1.95 1.75 0.00 1.47 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.64 7.81 8 Y 9.11 4.85 0.00 3.20 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 9 E 9.18 5.05 0.00 1.92 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 2.12 2.16 0.00 10 C 9.05 3.79 0.00 2.42 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.56 4.06 0.00 1.92 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 2.29 2.36 0.00 12 A 7.86 4.28 1.26 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 13 C 8.03 4.61 0.00 3.06 3.01 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 14 G 7.97 4.16 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 0.00 0.00 0.00 15 Y 8.04 4.37 0.00 3.13 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 16 I 6.62 4.92 1.58 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 1.14 0.61 0.85 0.00 0.00 17 Y 9.61 4.66 0.00 3.74 3.38 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 18 E 8.23 4.28 0.00 1.77 1.71 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 2.22 2.15 0.00 19 P 0.00 4.65 0.00 2.21 2.38 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 20 E 8.07 3.83 0.00 2.00 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 2.37 2.32 0.00 21 K 7.89 3.95 0.00 1.87 1.65 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.40 7.81 22 G 8.24 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 0.00 0.00 0.00 23 D 8.22 4.79 0.00 3.09 2.83 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 24 K 8.07 3.59 0.00 1.90 2.09 0.00 1.95 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.63 7.81 25 F 8.61 4.17 0.00 3.14 3.30 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 26 A 9.44 4.58 1.63 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 0.00 0.00 27 G 7.95 3.59 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 0.00 0.00 0.00 28 I 7.80 4.31 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.04 0.95 0.00 0.00 29 P 0.00 4.95 0.00 2.22 2.21 0.00 3.71 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 2.07 1.95 0.00 30 P 0.00 4.96 0.00 2.24 2.20 0.00 3.52 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 31 G 7.97 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 32 T 7.48 4.48 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 1.20 0.00 0.00 33 P 0.00 4.72 0.00 2.25 2.21 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 34 F 8.89 3.51 0.00 2.49 1.70 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 35 V 7.76 3.68 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 0.85 0.00 0.00 0.94 0.00 0.00 36 D 7.95 4.56 0.00 2.49 2.64 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 37 L 6.85 3.81 0.00 0.81 0.87 -1.75 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.03 4.32 0.00 3.89 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 39 D 8.46 4.04 0.00 2.60 2.68 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 0.00 0.00 0.00 0.00 40 S 7.26 4.69 0.00 3.67 3.71 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 41 F 7.89 4.28 0.00 2.93 2.61 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 0.00 0.00 0.00 0.00 42 M 7.17 4.91 0.00 1.70 1.61 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 43 C 8.91 4.29 0.00 3.29 3.01 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 44 P 0.00 4.30 0.00 2.33 2.21 0.00 3.35 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.16 0.00 45 A 7.76 4.56 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.65 4.70 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 47 R 8.33 3.91 0.00 1.93 2.01 0.00 3.14 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 48 S 7.45 4.46 0.00 4.03 3.88 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 49 P 0.00 4.64 0.00 2.29 2.21 0.00 3.79 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 2.16 1.99 0.00 50 K 9.05 3.48 0.00 2.02 1.91 0.00 0.97 0.00 0.00 1.37 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.78 7.81 51 N 8.28 4.64 0.00 2.84 2.97 0.00 0.00 6.91 7.74 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 52 Q 9.34 4.33 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 53 F 8.56 4.63 0.00 3.61 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 54 K 8.56 4.47 0.00 1.74 1.45 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 1.29 7.81 55 S 7.57 3.18 0.00 3.42 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 56 I 7.40 4.28 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.90 0.00 0.00 57 K 7.58 4.69 0.00 1.64 1.90 0.00 1.77 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.24 7.81 58 K 7.55 4.66 0.00 1.73 1.54 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 59 V 8.39 4.68 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 0.83 0.00 0.00 0.92 0.00 0.00 60 I 8.66 4.61 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.91 0.00 0.00 61 A 8.18 4.15 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 62 G 8.33 3.94 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 0.00 0.00 0.00 63 F 8.19 4.81 0.00 3.13 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 64 A 5.89 4.64 1.02 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 65 E 8.12 4.63 0.00 1.82 1.78 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 2.14 2.17 0.00 66 N 7.93 4.74 0.00 2.69 2.80 0.00 0.00 7.04 7.70 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 67 Q 7.17 4.57 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.57 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 68 K 8.00 4.52 0.00 1.69 1.91 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.42 7.81 69 Y 9.25 3.48 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.82 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 0.00 0.00 0.00