NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.3597 8.0333 110.9392 61.5580 71.2640 175.9684 17 L 3.8995 7.9691 122.3814 57.4415 41.4493 178.3845 18 R 4.0520 8.2935 121.6378 62.1398 29.5093 181.1168 19 E 4.2578 8.0311 118.2147 60.6952 29.6415 181.0940 20 E 4.2057 7.9422 118.6814 59.5806 29.7504 178.7089 21 I 3.4638 7.7697 119.8279 64.5605 37.2144 178.0927 22 D 4.3465 7.9372 119.3527 57.4834 40.6837 179.1275 23 R 3.9345 7.5601 117.1485 59.2002 30.0796 178.9223 24 L 4.0237 8.6889 120.9035 58.0985 41.9930 178.7395 25 D 4.3911 8.4451 119.0385 56.9665 40.8291 178.4714 26 A 3.9941 7.9220 121.1039 55.0933 18.3567 179.3553 27 E 3.9063 8.3065 117.8888 59.2379 29.6477 179.0151 28 I 3.6880 7.5713 119.5283 64.4004 37.2313 177.9840 29 L 3.9198 8.0615 120.8714 58.1649 41.8124 178.9896 30 A 3.9613 7.9748 120.4726 55.2530 18.3477 179.6705 31 L 3.9717 8.0374 117.5934 57.9099 41.6572 179.9754 32 V 3.6412 8.2289 118.6818 65.8267 31.3095 178.2453 33 K 3.9673 8.0920 118.4170 59.4295 31.8115 179.3396 34 R 4.2396 7.9331 120.3830 58.8671 29.9509 178.5061 35 R 3.8670 8.4909 118.8355 59.3510 30.1524 178.3452 36 A 3.9842 8.0483 120.6624 55.0228 18.1820 179.5973 37 E 3.8923 7.9828 117.2812 59.6968 29.6440 179.7568 38 V 3.6017 7.9996 118.4346 65.8168 31.4682 178.0603 39 S 4.0789 8.3731 113.2774 61.2965 62.2997 176.2210 40 K 3.9508 7.9545 120.5218 59.4430 31.7878 179.1605 41 A 4.0169 8.2073 121.0491 55.2915 18.2981 179.7901 42 I 3.8034 7.9539 118.5188 64.1586 37.1188 178.8470 43 G 3.6387 8.0827 106.6946 47.8619 0.0000 175.7791 44 K 3.9556 8.1466 121.4129 58.9489 32.2155 179.3063 45 A 3.9961 7.9501 120.9041 55.2273 18.2326 179.7335 46 R 3.8836 8.1663 117.2582 59.7529 30.1184 178.6973 47 M 4.3038 8.4900 119.7435 57.7774 31.7470 178.4835 48 A 4.0208 8.3386 120.3987 55.0081 18.5899 178.6930 49 S 4.4665 7.7347 108.4346 58.3758 62.4236 174.6043 50 G 3.8121 8.1587 108.0455 46.1096 0.0000 173.9326 51 G 3.9991 8.6074 110.8179 43.9754 0.0000 173.0715 52 T 4.4347 7.9563 108.8126 59.7761 70.0863 174.4164 53 R 3.8963 8.4569 124.2112 59.7272 30.3180 176.2984 54 L 4.3030 7.5290 117.7835 54.0846 42.7823 177.3875 55 V 4.3077 8.0194 120.5935 60.6077 34.3186 175.5832 56 H 4.1085 8.9135 126.5969 59.4807 29.7109 177.0540 57 S 4.1747 8.1130 115.4931 61.6069 62.7464 176.5896 58 R 3.9515 7.9104 121.1506 58.9696 29.8908 178.6098 59 E 3.9924 7.9757 118.6430 59.7048 29.3586 179.3345 60 M 4.1227 7.8955 118.1941 58.0870 32.0235 179.0321 61 K 3.9778 7.7515 119.1465 59.3401 32.0031 179.5470 62 V 3.6970 7.6208 117.6221 65.9663 31.7527 177.9335 63 I 3.9318 7.8419 119.5973 64.5011 36.8850 178.0265 64 E 3.9818 8.4605 120.3200 59.3052 29.1546 178.8267 65 R 3.8310 7.8084 117.7023 58.4986 30.3568 176.9938 66 Y 4.4713 7.7125 114.3492 57.5999 38.3912 177.3483 67 S 4.1752 7.8480 117.2943 61.6182 62.6076 176.2899 68 E 3.9627 8.1925 120.6970 58.9308 29.2627 178.2752 69 L 4.2636 7.9820 117.4025 56.9441 42.4180 177.6069 70 G 3.8437 8.6749 106.7543 43.7925 0.0000 171.6144 71 P 4.2617 0.0000 0.0000 66.2023 31.4908 177.7479 72 D 4.6173 8.1642 116.1920 56.0395 40.8514 178.5822 73 G 3.7500 8.3529 107.9608 47.8099 0.0000 175.8834 74 K 4.0627 8.0581 121.0885 59.6767 32.5755 178.8230 75 D 4.3249 8.0160 119.7072 56.9064 40.7933 178.1956 76 L 3.7635 7.8684 120.7052 57.9281 41.9903 178.7348 77 A 3.7410 7.8054 120.6188 55.4183 18.3606 179.7706 78 I 3.6302 7.7577 118.1563 64.2747 37.1045 178.4449 79 L 3.9416 7.8368 121.2917 58.1182 41.8875 179.1129 80 L 3.9770 7.9222 119.0435 57.6859 41.4942 179.4424 81 L 4.0296 8.2145 119.2936 57.8012 41.0847 179.8020 82 R 4.1444 8.1427 118.1579 59.1877 29.7543 179.0790 83 L 4.1459 7.8255 118.2800 57.4107 41.6296 179.5582 84 G 3.9300 8.2181 106.7849 47.0798 0.0000 175.3801 85 R 4.3361 9.1517 118.7558 58.2527 30.6110 177.8422 86 G 3.9914 7.7072 105.3824 43.1342 0.0000 172.0555 87 R 4.1566 8.0469 119.0067 55.4589 30.7444 176.5384 88 L 3.9600 8.3168 122.0973 56.3339 42.0911 177.9328 89 G 3.9104 8.9474 109.6393 45.8810 0.0000 173.2898 90 H 4.4650 7.7090 120.9865 55.8695 29.4581 173.2617 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 16 T 8.03 4.36 4.24 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 1.21 0.00 0.00 17 L 7.97 3.90 0.00 1.84 1.76 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.29 4.05 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 19 E 8.03 4.26 0.00 1.97 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 2.31 1.93 0.00 20 E 7.94 4.21 0.00 2.03 2.11 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 2.30 2.35 0.00 21 I 7.77 3.46 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 1.52 0.42 0.91 0.00 0.00 22 D 7.94 4.35 0.00 2.84 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 23 R 7.56 3.93 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 24 L 8.69 4.02 0.00 1.96 1.67 0.93 0.71 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 25 D 8.45 4.39 0.00 3.00 2.69 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 0.00 0.00 0.00 26 A 7.92 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 3.91 0.00 2.12 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 2.31 2.40 0.00 28 I 7.57 3.69 2.00 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 1.43 0.65 0.92 0.00 0.00 29 L 8.06 3.92 0.00 1.83 1.92 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.97 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.97 0.00 1.87 1.75 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.23 3.64 2.13 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 1.02 0.00 0.00 0.97 0.00 0.00 33 K 8.09 3.97 0.00 2.10 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 34 R 7.93 4.24 0.00 2.02 2.11 0.00 3.19 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 35 R 8.49 3.87 0.00 2.07 1.92 0.00 3.21 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 36 A 8.05 3.98 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.98 3.89 0.00 2.16 2.01 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 2.33 2.46 0.00 38 V 8.00 3.60 2.09 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 1.00 0.00 0.00 0.99 0.00 0.00 39 S 8.37 4.08 0.00 3.99 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 40 K 7.95 3.95 0.00 2.08 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.70 7.81 41 A 8.21 4.02 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 42 I 7.95 3.80 2.00 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 1.46 0.84 0.92 0.00 0.00 43 G 8.08 3.64 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 0.00 0.00 0.00 44 K 8.15 3.96 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 45 A 7.95 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 3.88 0.00 2.05 1.94 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 47 M 8.49 4.30 0.00 2.12 2.16 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 2.74 2.53 0.00 48 A 8.34 4.02 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 49 S 7.73 4.47 0.00 3.92 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 50 G 8.16 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 51 G 8.61 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.43 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 1.21 0.00 0.00 53 R 8.46 3.90 0.00 1.79 1.99 0.00 3.23 0.00 0.00 3.23 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 54 L 7.53 4.30 0.00 1.69 1.59 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.02 4.31 2.09 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 1.09 0.00 0.00 0.94 0.00 0.00 56 H 8.91 4.11 0.00 3.30 3.31 0.00 5.93 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.11 4.17 0.00 4.10 4.14 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 58 R 7.91 3.95 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 59 E 7.98 3.99 0.00 2.00 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 2.32 2.53 0.00 60 M 7.90 4.12 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 61 K 7.75 3.98 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 62 V 7.62 3.70 2.26 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 0.98 0.00 0.00 1.04 0.00 0.00 63 I 7.84 3.93 2.01 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 1.42 0.99 0.94 0.00 0.00 64 E 8.46 3.98 0.00 2.17 2.09 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 2.30 2.36 0.00 65 R 7.81 3.83 0.00 2.06 2.07 0.00 3.18 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.50 0.00 66 Y 7.71 4.47 0.00 3.05 3.02 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 67 S 7.85 4.18 0.00 4.03 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 68 E 8.19 3.96 0.00 1.95 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 2.30 2.38 0.00 69 L 7.98 4.26 0.00 1.80 1.76 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.67 3.84 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 0.00 0.00 0.00 71 P 0.00 4.26 0.00 2.03 2.16 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 72 D 8.16 4.62 0.00 2.73 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 73 G 8.35 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 74 K 8.06 4.06 0.00 2.00 2.11 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.53 7.81 75 D 8.02 4.32 0.00 2.86 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 76 L 7.87 3.76 0.00 1.65 1.63 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.81 3.74 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.76 3.63 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.90 0.00 0.00 79 L 7.84 3.94 0.00 1.87 1.76 0.88 0.61 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 80 L 7.92 3.98 0.00 1.82 1.66 0.62 0.40 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 81 L 8.21 4.03 0.00 1.82 1.71 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.14 4.14 0.00 2.02 1.96 0.00 3.11 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 83 L 7.83 4.15 0.00 1.77 1.72 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.22 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 85 R 9.15 4.34 0.00 1.92 2.05 0.00 3.28 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 86 G 7.71 3.99 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 0.00 0.00 0.00 87 R 8.05 4.16 0.00 1.97 1.94 0.00 3.15 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 88 L 8.32 3.96 0.00 1.63 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.95 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.71 4.47 0.00 3.27 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00