NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2262 8.2649 123.5836 51.5533 19.7897 176.8211 2 I 3.5760 8.1822 121.6092 61.3634 35.8777 172.8032 3 E 4.3254 8.4491 125.8946 55.1871 31.9423 175.8094 4 R 4.2078 8.3795 119.3415 56.7559 30.9083 176.4478 5 G 4.0667 8.3726 112.0181 46.5170 0.0000 173.3346 6 S 4.5710 7.2526 113.7210 56.7587 64.8332 173.2474 7 K 4.4648 8.4030 123.2016 55.9589 33.3392 176.3166 8 V 4.7474 8.2460 118.6640 59.1322 35.0489 174.9678 9 K 4.3694 8.6049 127.7686 55.7066 33.0896 176.1649 10 I 3.8000 8.4821 129.4858 61.0686 38.1666 176.7076 11 L 4.9136 7.9641 126.9048 54.4930 42.6629 176.3785 12 R 4.1252 7.9557 119.6605 54.8756 30.5730 175.6836 13 K 2.7774 8.1464 125.6264 59.3935 32.3345 178.4199 14 E 4.3139 7.4873 121.1376 55.0400 28.2100 175.5031 15 S 4.6278 7.5970 116.7517 56.5731 67.3695 174.9586 16 Y 4.2103 8.3255 124.8631 59.5066 38.9730 176.3178 17 W 4.7480 7.3786 119.1612 56.1572 30.1139 174.3363 18 Y 4.4559 7.6212 119.4211 59.1199 38.5711 176.4249 19 G 3.5452 8.0941 113.8580 44.8855 0.0000 172.8271 20 D 4.9876 7.6472 118.7872 52.6732 43.9255 175.9151 21 V 4.6134 8.2633 120.2145 62.1536 33.7068 174.8168 22 G 3.6532 8.3971 109.5571 44.8128 0.0000 171.8083 23 T 4.6938 7.8013 117.4582 61.7337 70.1000 174.8265 24 V 3.7101 8.1664 126.7493 64.1959 31.9311 175.9981 25 A 4.2671 8.3110 129.1059 53.4611 20.0353 176.8235 26 S 4.5511 7.3911 106.7418 58.0516 65.7315 174.7095 27 I 4.7839 8.4891 123.7334 59.8566 40.3223 174.2096 28 D 4.9837 7.8933 122.9689 52.1984 42.9808 175.3653 29 K 4.4487 8.3495 116.9806 56.9453 32.4848 177.0193 30 S 4.0184 8.2770 108.9040 59.3051 60.4441 174.2301 31 G 3.7051 7.6451 112.2166 47.4047 0.0000 174.3066 32 I 4.6029 7.2344 111.5399 58.2700 40.7342 176.0034 33 I 3.7679 8.0217 120.0069 63.2733 38.0039 175.4215 34 Y 5.0809 6.7342 116.4302 55.6190 37.8455 173.2588 35 P 4.3907 0.0000 0.0000 63.8937 32.8956 176.7105 36 V 4.3104 7.7497 120.5214 62.1209 32.6496 174.4476 37 I 4.8296 8.3205 129.5719 59.8455 39.4376 175.1254 38 V 4.5134 8.7071 129.2921 61.8091 34.3396 174.2599 39 R 4.9335 7.8768 122.4946 54.5750 32.3324 176.8818 40 F 4.2570 7.8924 118.4103 55.2016 41.5709 175.6931 41 N 4.0971 8.1672 114.0142 53.5664 36.2960 173.3089 42 K 4.6435 7.2573 117.7586 54.4779 34.6799 175.1168 43 V 4.6206 8.4504 124.6440 61.3366 34.0430 174.8810 44 N 4.7765 7.9544 121.5439 51.7322 38.4420 173.1131 45 Y 4.3442 7.6839 116.1872 58.4461 38.5169 176.0596 46 N 5.0453 9.5649 124.7275 51.0735 40.3461 173.1606 47 G 3.5849 7.7496 109.9302 44.7146 0.0000 172.8707 48 F 5.0296 5.9410 115.0056 55.3585 40.8567 176.3944 49 S 4.5364 8.8066 113.3165 59.3288 67.5868 175.8948 50 G 3.7492 9.7766 118.0421 46.0815 0.0000 174.8219 51 S 4.1771 8.9913 112.1064 57.6029 64.2773 173.9754 52 A 4.1874 8.6279 128.3193 51.8995 18.0988 177.2298 53 G 3.5542 8.9387 114.0747 45.0862 0.0000 171.0813 54 G 3.9207 9.0277 110.7226 44.8616 0.0000 171.7796 55 L 4.4633 7.3859 118.6999 51.7389 45.3132 177.1548 56 N 4.4926 9.2159 111.9394 53.6867 36.6984 173.7598 57 T 5.7082 7.8219 106.5427 61.3007 72.2132 172.7628 58 N 5.1535 9.5323 122.6330 51.2385 41.8426 173.8035 59 N 4.9050 8.4160 120.3231 53.7190 39.7367 174.4568 60 F 5.0360 8.7987 118.5260 56.5133 44.3629 174.2480 61 A 4.8063 9.1886 125.3615 51.5209 19.7115 178.8127 62 E 4.0194 8.8125 119.0761 59.9296 29.5727 179.7427 63 H 4.4376 7.8673 111.7874 57.8298 29.1168 176.1405 64 E 4.2193 7.9729 119.5439 58.0463 29.7319 176.0987 65 L 4.7144 7.4472 117.7480 53.1199 44.1088 176.4987 66 E 4.4365 8.4479 123.0369 53.7853 31.0041 173.8876 67 V 3.6965 8.3884 125.2186 63.0385 32.1309 175.6822 68 V 4.3880 8.0576 123.0415 60.9795 32.2144 176.6749 69 G 3.7277 8.1008 114.4109 45.8815 0.0000 174.4417 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 A 8.26 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.58 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.47 0.93 0.00 0.00 3 E 8.45 4.33 0.00 1.95 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 2.31 2.39 0.00 4 R 8.38 4.21 0.00 1.83 1.77 0.00 3.32 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 5 G 8.37 4.07 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 0.00 0.00 0.00 6 S 7.25 4.57 0.00 4.01 3.70 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 7 K 8.40 4.46 0.00 1.72 1.69 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.43 7.81 8 V 8.25 4.75 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 1.00 0.00 0.00 0.96 0.00 0.00 9 K 8.60 4.37 0.00 1.86 1.67 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 10 I 8.48 3.80 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 -0.10 0.00 0.00 11 L 7.96 4.91 0.00 1.73 1.67 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.96 4.13 0.00 1.71 1.91 0.00 3.48 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 13 K 8.15 2.78 0.00 1.57 1.61 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.13 7.81 14 E 7.49 4.31 0.00 1.89 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 2.26 2.27 0.00 15 S 7.60 4.63 0.00 4.13 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 16 Y 8.33 4.21 0.00 2.32 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 0.00 0.00 0.00 17 W 7.38 4.75 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.46 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 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 20 D 7.65 4.99 0.00 2.87 2.66 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 0.00 0.00 0.00 21 V 8.26 4.61 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 0.72 0.00 0.00 0.90 0.00 0.00 22 G 8.40 3.65 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 0.00 0.00 0.00 23 T 7.80 4.69 4.09 0.00 0.00 0.00 0.00 0.00 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 24 V 8.17 3.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 25 A 8.31 4.27 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 26 S 7.39 4.55 0.00 3.86 3.66 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 0.00 0.00 0.00 27 I 8.49 4.78 1.89 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 1.25 1.07 0.94 0.00 0.00 28 D 7.89 4.98 0.00 2.99 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.45 0.00 1.87 1.73 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 30 S 8.28 4.02 0.00 4.06 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 31 G 7.65 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 0.00 0.00 0.00 32 I 7.23 4.60 1.81 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 1.31 1.00 0.90 0.00 0.00 33 I 8.02 3.77 1.53 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.62 -0.42 0.00 0.00 34 Y 6.73 5.08 0.00 3.01 2.74 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 35 P 0.00 4.39 0.00 2.34 2.32 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 36 V 7.75 4.31 2.43 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 0.94 0.00 0.00 1.00 0.00 0.00 37 I 8.32 4.83 1.93 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 1.18 1.24 0.95 0.00 0.00 38 V 8.71 4.51 2.31 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 0.36 0.00 0.00 1.18 0.00 0.00 39 R 7.88 4.93 0.00 1.61 1.62 0.00 3.05 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 40 F 7.89 4.26 0.00 1.51 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 0.00 0.00 0.00 41 N 8.17 4.10 0.00 2.76 2.83 0.00 0.00 6.58 7.54 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 42 K 7.26 4.64 0.00 1.77 1.56 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.92 7.81 43 V 8.45 4.62 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 -0.12 0.00 0.00 1.02 0.00 0.00 44 N 7.95 4.78 0.00 2.14 2.30 0.00 0.00 5.22 6.46 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 45 Y 7.68 4.34 0.00 3.18 3.24 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 46 N 9.56 5.05 0.00 2.53 2.67 0.00 0.00 7.14 7.93 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 47 G 7.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.94 5.03 0.00 3.20 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 49 S 8.81 4.54 0.00 3.79 3.76 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 50 G 9.78 3.75 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 0.00 0.00 0.00 51 S 8.99 4.18 0.00 3.92 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 52 A 8.63 4.19 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 53 G 8.94 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 54 G 9.03 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 0.00 0.00 0.00 55 L 7.39 4.46 0.00 1.85 1.72 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.22 4.49 0.00 2.96 2.93 0.00 0.00 7.16 7.07 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 57 T 7.82 5.71 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 1.32 0.00 0.00 58 N 9.53 5.15 0.00 3.29 2.28 0.00 0.00 7.04 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.42 4.90 0.00 2.49 3.06 0.00 0.00 7.15 7.48 0.00 0.00 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 8.80 5.04 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.19 4.81 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 62 E 8.81 4.02 0.00 2.07 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 2.44 2.34 0.00 63 H 7.87 4.44 0.00 3.30 3.50 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.97 4.22 0.00 2.45 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 0.00 2.46 2.50 0.00 65 L 7.45 4.71 0.00 1.56 1.57 1.06 0.79 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 66 E 8.45 4.44 0.00 2.03 1.80 0.00 0.00 0.00 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 2.21 0.00 67 V 8.39 3.70 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 0.94 0.00 0.00 1.00 0.00 0.00 68 V 8.06 4.39 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 0.87 0.00 0.00 0.91 0.00 0.00 69 G 8.10 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