NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1637 8.2549 120.8663 57.5437 30.6682 174.4304 2 I 3.1391 7.8314 124.6131 61.1676 34.5776 172.1001 3 Y 4.1993 8.5881 122.6094 58.6785 40.1612 175.6030 4 K 4.4683 7.9604 121.5948 55.3369 31.1738 176.6372 5 G 4.0878 7.5516 100.8347 45.9818 0.0000 174.0919 6 V 4.1890 7.7789 114.4078 62.4166 33.9342 178.3258 7 I 3.9229 7.5446 119.5714 63.3580 37.1718 177.9131 8 Q 4.0731 7.5513 118.2254 58.6486 29.0387 177.6480 9 A 3.9301 7.8654 121.2620 55.4640 18.7583 179.5750 10 I 3.7290 7.4760 117.7889 64.2803 37.0042 178.8686 11 Q 4.0287 7.5981 117.9724 59.0002 28.6187 177.9494 12 K 3.8198 8.4377 119.5192 60.2923 31.4744 179.2099 13 S 3.6096 8.1666 114.6988 61.6590 62.5519 176.2430 14 D 4.6177 7.4184 118.5848 56.1152 41.0995 177.2743 15 E 4.3015 8.5307 119.8152 58.7785 30.0031 177.9134 16 G 3.9338 8.3758 105.3798 46.2421 0.0000 172.4747 17 H 4.8265 7.3255 116.0335 52.5553 33.7839 173.8180 18 P 4.3141 0.0000 0.0000 65.9602 31.0547 178.5311 19 F 4.2270 8.0985 116.8856 60.2846 38.4899 177.5416 20 R 4.0469 7.9317 116.4517 59.4515 29.6628 177.6313 21 A 4.1559 8.7000 120.0682 55.9600 17.9997 178.8196 22 Y 3.7057 8.2534 115.7440 60.8146 38.0660 179.0117 23 L 4.1685 7.5114 121.1301 58.1357 42.3551 178.4411 24 E 3.9442 9.2480 120.2448 59.0074 29.3480 178.5414 25 S 4.1819 8.8554 114.2479 61.7106 61.9670 176.1980 26 E 3.7297 7.8810 120.3565 59.0367 28.5997 179.5747 27 V 3.6928 7.5783 117.9334 65.6089 31.5957 177.6255 28 A 4.1341 8.4878 120.2275 54.6029 18.1807 179.0942 29 I 3.7970 8.4373 118.1505 64.1500 37.9349 178.2295 30 S 4.1705 7.7126 115.1921 61.1413 62.4083 175.8294 31 E 3.8666 7.7646 121.0711 59.2607 29.0703 178.6676 32 E 4.0799 7.9314 118.9738 58.9595 29.7247 178.3200 33 L 3.9422 8.0264 119.3434 58.1211 41.5373 179.7839 34 V 3.6266 7.1549 116.5348 65.5377 31.1441 177.2078 35 Q 4.3128 8.7282 119.5689 58.2569 28.9316 177.4142 36 K 4.1045 8.2292 120.9657 59.0053 32.1030 178.1419 37 Y 3.7710 8.2876 118.0502 60.2118 37.3530 178.4713 38 S 3.1104 7.6070 113.3600 60.9003 62.9475 175.2580 39 N 4.4423 7.8755 118.8075 56.0384 38.7716 176.8293 40 S 4.2829 8.8463 117.6776 60.8863 62.8037 175.9663 41 A 3.8943 8.3660 123.6882 54.8394 17.9568 178.9870 42 L 4.0851 7.0618 115.7811 57.4876 42.9654 178.5698 43 G 4.1124 8.3476 106.1052 46.9961 0.0000 171.7699 44 H 4.3558 7.9047 112.2252 55.8432 29.2326 176.0970 45 V 3.7104 7.6853 119.0722 64.6264 31.1916 176.0125 46 N 4.3763 8.2001 117.1150 56.2868 36.8486 176.6855 47 C 4.3021 8.0507 115.7448 60.6988 28.2944 175.6554 48 T 4.0176 7.2175 116.9702 65.8615 68.1349 176.9051 49 I 3.9359 8.3715 115.3656 63.7337 37.9850 178.1687 50 K 3.8631 8.9307 121.8740 59.1897 31.9762 178.8114 51 E 3.6925 8.0280 118.7190 58.2942 29.2073 178.0984 52 L 4.1794 6.9632 117.7171 57.7276 42.6732 177.6153 53 R 4.1197 8.4599 118.7196 58.6696 30.1710 177.5757 54 R 3.8694 7.5478 119.2510 59.4647 30.5661 177.6931 55 L 4.5721 10.1357 116.1997 56.1620 41.4794 173.1592 56 F 4.6211 8.0730 116.6661 59.5491 46.0762 174.7682 57 L 4.1011 8.6358 121.7358 57.2975 42.0022 176.3416 58 V 3.3515 8.6762 112.2532 63.9325 29.2396 170.9061 59 D 5.2343 9.7220 126.2656 53.5663 40.8690 173.2687 60 D 4.1188 7.8968 122.0173 54.7577 41.5945 174.6186 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 R 8.25 4.16 0.00 1.82 2.01 0.00 3.39 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 2 I 7.83 3.14 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 1.31 0.70 0.92 0.00 0.00 3 Y 8.59 4.20 0.00 2.84 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 4 K 7.96 4.47 0.00 1.90 1.77 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.49 7.81 5 G 7.55 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 0.00 0.00 0.00 0.00 6 V 7.78 4.19 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 0.73 0.00 0.00 0.91 0.00 0.00 7 I 7.54 3.92 1.88 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 1.53 0.74 0.91 0.00 0.00 8 Q 7.55 4.07 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 9 A 7.87 3.93 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 10 I 7.48 3.73 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 0.91 0.91 0.00 0.00 11 Q 7.60 4.03 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 12 K 8.44 3.82 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.59 7.81 13 S 8.17 3.61 0.00 3.91 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 14 D 7.42 4.62 0.00 3.02 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 15 E 8.53 4.30 0.00 2.09 1.92 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 2.28 2.31 0.00 16 G 8.38 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 17 H 7.33 4.83 0.00 3.44 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.31 0.00 1.96 2.17 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 19 F 8.10 4.23 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 20 R 7.93 4.05 0.00 2.18 2.04 0.00 3.37 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 21 A 8.70 4.16 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 22 Y 8.25 3.71 0.00 3.03 3.16 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 23 L 7.51 4.17 0.00 1.75 1.71 0.97 0.80 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 24 E 9.25 3.94 0.00 2.07 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 2.33 0.00 25 S 8.86 4.18 0.00 3.83 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 26 E 7.88 3.73 0.00 2.17 1.98 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 2.30 2.27 0.00 27 V 7.58 3.69 2.17 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 0.99 0.00 0.00 0.99 0.00 0.00 28 A 8.49 4.13 1.31 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 29 I 8.44 3.80 2.05 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 1.50 1.56 0.95 0.00 0.00 30 S 7.71 4.17 0.00 4.03 3.89 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 31 E 7.76 3.87 0.00 2.05 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 0.00 2.30 2.32 0.00 32 E 7.93 4.08 0.00 2.20 1.93 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 2.31 2.35 0.00 33 L 8.03 3.94 0.00 1.95 1.74 0.94 0.85 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 34 V 7.15 3.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.93 0.00 0.00 35 Q 8.73 4.31 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 36 K 8.23 4.10 0.00 1.92 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 37 Y 8.29 3.77 0.00 3.23 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 38 S 7.61 3.11 0.00 4.02 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 39 N 7.88 4.44 0.00 2.85 2.76 0.00 0.00 7.19 7.62 0.00 0.00 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 8.85 4.28 0.00 3.93 3.89 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 41 A 8.37 3.89 1.13 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 0.00 0.00 42 L 7.06 4.09 0.00 1.75 1.77 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.35 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.90 4.36 0.00 3.23 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.69 3.71 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 1.04 0.00 0.00 1.02 0.00 0.00 46 N 8.20 4.38 0.00 3.37 3.31 0.00 0.00 5.98 7.81 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 47 C 8.05 4.30 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.22 4.02 4.38 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 1.21 0.00 0.00 49 I 8.37 3.94 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 1.00 0.00 0.00 50 K 8.93 3.86 0.00 1.90 1.98 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.72 7.81 51 E 8.03 3.69 0.00 2.08 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 2.29 2.42 0.00 52 L 6.96 4.18 0.00 1.88 1.71 0.97 0.92 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 53 R 8.46 4.12 0.00 1.82 1.87 0.00 3.48 0.00 0.00 3.16 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 54 R 7.55 3.87 0.00 1.83 2.09 0.00 3.54 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 55 L 10.14 4.57 0.00 1.80 2.03 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.07 4.62 0.00 2.93 2.93 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 57 L 8.64 4.10 0.00 1.73 1.69 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.68 3.35 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 0.69 0.00 0.00 0.87 0.00 0.00 59 D 9.72 5.23 0.00 2.91 2.91 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 60 D 7.90 4.12 0.00 2.84 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00