NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.3260 8.0333 115.2444 61.6924 69.0174 175.4465 12 D 4.2907 7.9768 122.1544 56.2144 40.6163 176.6776 13 A 4.0137 8.8045 122.2225 55.0162 18.7536 179.1285 14 T 4.0158 7.7621 114.4863 66.4915 68.5712 177.2701 15 I 3.9601 7.5888 121.4651 64.0279 37.1313 178.3845 16 K 3.9579 8.3348 119.6191 59.5635 32.0427 179.5243 17 K 4.0564 7.8583 118.7308 59.6396 32.0123 179.3346 18 E 3.9870 8.4260 118.9035 59.4521 29.3104 179.4594 19 Q 4.0021 8.4845 118.6595 58.6981 28.6771 178.7260 20 K 3.9288 8.3600 119.9334 59.3281 32.0214 179.0049 21 L 3.8052 7.7288 120.3201 58.1383 41.9276 179.1731 22 I 3.8648 7.3871 120.7739 63.9775 37.0272 178.1550 23 Q 3.9542 8.3854 119.0919 59.0519 28.5557 179.2128 24 A 3.9280 8.2311 121.6411 55.3949 18.0332 179.4984 25 Q 3.9532 8.1870 116.6459 59.2962 28.7234 179.2960 26 N 4.3530 8.5822 117.5794 56.4728 38.5899 177.6348 27 L 4.0181 8.1235 120.4879 57.5389 41.6569 179.8313 28 V 3.6715 8.2877 118.8669 66.0264 31.3051 178.0314 29 R 4.2278 7.7646 118.5806 58.9374 30.2021 177.7731 30 E 4.1017 8.4323 119.2960 59.0844 29.5619 178.5262 31 F 4.4712 8.6128 121.2386 61.4956 39.2681 176.9592 32 E 3.7243 8.4156 117.7461 58.6260 28.8950 179.1179 33 K 4.1297 7.8676 118.0468 58.0938 31.4280 178.0815 34 T 4.3767 7.8638 108.3122 60.8840 70.1439 174.5969 35 H 3.8639 8.3132 117.8307 56.7910 27.1820 174.6729 36 T 4.8937 7.2914 107.4907 60.6385 71.6914 174.9728 37 V 3.6608 8.1103 120.6734 65.9836 31.5999 178.1087 38 S 4.0382 8.0919 112.2620 61.5360 62.3655 175.9852 39 A 4.0327 8.0949 123.3341 55.1160 18.0659 179.1069 40 H 2.5800 7.9942 116.6545 58.7719 29.8513 177.2116 41 A 3.7139 7.7246 122.3982 55.1434 18.2104 179.7500 42 K 3.8045 7.7775 116.2686 59.3980 32.0303 179.4866 43 A 3.8867 7.7732 120.8961 55.1186 18.3038 179.3018 44 Q 3.7750 8.0953 118.3859 59.1971 28.8693 178.4937 45 K 3.8024 7.8198 118.8527 59.4070 32.5507 178.0254 46 A 4.0955 7.9524 120.9797 55.3136 18.3024 179.7669 47 V 3.4743 8.0256 116.8648 66.2663 31.4444 177.9238 48 N 4.3568 8.0992 114.5279 55.5409 38.3880 176.4534 49 L 4.2758 7.4276 118.9457 54.6017 42.3478 177.2188 50 V 3.6849 7.0985 119.8380 62.2377 32.1669 175.7500 51 S 4.1553 8.6746 121.3814 58.3647 62.9872 174.7693 52 F 4.3261 8.6675 123.2259 59.2894 38.9514 177.3531 53 E 3.8994 8.0068 120.6650 58.8570 29.3913 177.8281 54 Y 4.8632 7.6027 116.6472 57.5096 39.4725 178.1271 55 K 3.9499 7.9638 122.8750 60.5136 32.4624 177.8689 56 V 3.5690 7.7446 118.5101 65.7646 31.7080 177.7979 57 K 4.1273 8.0570 118.1376 58.4510 32.0144 178.5390 58 K 3.9337 8.2942 120.5601 59.8801 32.0664 178.5780 59 M 4.0533 7.9029 118.5562 58.4511 31.9136 178.9600 60 V 3.6109 7.7912 118.3183 65.8736 31.6733 178.1161 61 L 3.9938 8.1551 118.9349 57.8165 41.4050 179.2425 62 Q 3.9564 8.3655 119.8103 59.2297 29.0854 177.8922 63 E 4.0814 8.5919 120.7009 59.4103 29.5889 179.0483 64 R 3.9895 8.0750 118.2120 59.0365 30.0734 179.1629 65 I 3.9447 7.7670 119.7229 64.7220 37.3361 178.0619 66 D 4.4777 8.4277 119.9473 57.6448 40.6335 178.9262 67 N 4.3747 8.1893 116.8061 56.2351 38.6970 177.6529 68 V 3.4038 7.6207 119.2923 65.8766 31.2510 178.1256 69 L 4.0982 7.8739 118.0055 57.6281 41.4853 179.3086 70 K 4.1511 7.6599 117.4490 59.3740 31.9993 179.1310 71 Q 4.1083 7.6875 117.9539 57.9098 29.0574 176.6374 72 G 4.1423 7.0068 106.1412 44.3184 0.0000 173.3200 73 L 4.8082 8.2035 121.5045 53.4299 43.6464 177.6730 74 V 4.2182 8.0172 115.7472 60.7397 33.0993 176.7467 75 R 4.2908 8.3938 121.8946 56.2306 29.0705 175.6653 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 11 T 8.03 4.33 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 1.22 0.00 0.00 12 D 7.98 4.29 0.00 2.82 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 13 A 8.80 4.01 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 14 T 7.76 4.02 4.45 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 1.25 0.00 0.00 15 I 7.59 3.96 2.06 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 1.65 0.66 0.92 0.00 0.00 16 K 8.33 3.96 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 17 K 7.86 4.06 0.00 1.86 2.10 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.61 7.81 18 E 8.43 3.99 0.00 2.18 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 2.44 2.78 0.00 19 Q 8.48 4.00 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 20 K 8.36 3.93 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.61 7.81 21 L 7.73 3.81 0.00 1.50 1.62 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.39 3.86 1.93 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 1.47 1.29 0.95 0.00 0.00 23 Q 8.39 3.95 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 24 A 8.23 3.93 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 25 Q 8.19 3.95 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 26 N 8.58 4.35 0.00 2.97 2.86 0.00 0.00 7.06 6.66 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 27 L 8.12 4.02 0.00 1.72 1.70 1.00 0.77 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 28 V 8.29 3.67 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 1.05 0.00 0.00 1.00 0.00 0.00 29 R 7.76 4.23 0.00 1.97 2.14 0.00 3.16 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 30 E 8.43 4.10 0.00 2.29 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 2.33 2.48 0.00 31 F 8.61 4.47 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 3.72 0.00 2.26 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 2.25 2.28 0.00 33 K 7.87 4.13 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.74 7.81 34 T 7.86 4.38 4.30 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 1.29 0.00 0.00 35 H 8.31 3.86 0.00 3.30 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.29 4.89 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 1.33 0.00 0.00 37 V 8.11 3.66 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 1.00 0.00 0.00 0.97 0.00 0.00 38 S 8.09 4.04 0.00 3.94 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 A 8.09 4.03 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.99 2.58 0.00 2.69 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.72 3.71 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 42 K 7.78 3.80 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.63 7.81 43 A 7.77 3.89 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 44 Q 8.10 3.77 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 45 K 7.82 3.80 0.00 1.72 1.76 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 46 A 7.95 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.47 2.16 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 1.04 0.00 0.00 0.96 0.00 0.00 48 N 8.10 4.36 0.00 2.84 2.83 0.00 0.00 7.09 7.40 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 49 L 7.43 4.28 0.00 1.78 1.69 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.10 3.68 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 0.82 0.00 0.00 0.98 0.00 0.00 51 S 8.67 4.16 0.00 3.91 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 52 F 8.67 4.33 0.00 3.17 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 53 E 8.01 3.90 0.00 1.49 1.17 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 2.18 2.16 0.00 54 Y 7.60 4.86 0.00 3.00 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 55 K 7.96 3.95 0.00 2.08 2.39 0.00 1.35 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.55 7.81 56 V 7.74 3.57 2.14 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 1.05 0.00 0.00 0.97 0.00 0.00 57 K 8.06 4.13 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.52 7.81 58 K 8.29 3.93 0.00 2.01 1.95 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 59 M 7.90 4.05 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.58 0.00 60 V 7.79 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 61 L 8.16 3.99 0.00 1.92 1.70 0.91 0.71 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 62 Q 8.37 3.96 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 63 E 8.59 4.08 0.00 2.23 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 0.00 2.32 2.41 0.00 64 R 8.07 3.99 0.00 2.18 2.14 0.00 3.18 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 65 I 7.77 3.94 2.13 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 1.68 1.05 1.02 0.00 0.00 66 D 8.43 4.48 0.00 2.85 2.76 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 67 N 8.19 4.37 0.00 2.91 2.84 0.00 0.00 6.59 7.57 0.00 0.00 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 V 7.62 3.40 1.88 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 -0.34 0.00 0.00 0.71 0.00 0.00 69 L 7.87 4.10 0.00 1.92 1.74 0.96 0.72 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 70 K 7.66 4.15 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 71 Q 7.69 4.11 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.07 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 72 G 7.01 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 0.00 0.00 0.00 73 L 8.20 4.81 0.00 1.69 1.77 1.00 1.06 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 74 V 8.02 4.22 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 0.64 0.00 0.00 0.94 0.00 0.00 75 R 8.39 4.29 0.00 1.91 2.00 0.00 3.28 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00