NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3654 8.3231 116.7948 56.9385 64.1773 172.5322 2 G 4.2717 9.4703 125.3757 45.6753 0.0000 166.8745 3 I 3.1864 9.0885 135.0000 60.9947 36.5854 172.0025 4 V 4.3050 7.9859 117.3624 61.8006 34.5158 178.2358 5 Q 3.9513 8.1076 120.0269 59.1909 28.7947 177.8492 6 Q 3.9398 8.0349 120.0473 59.0537 29.2567 177.8617 7 Q 4.0336 7.8988 118.7001 58.3102 28.9593 177.3833 8 N 4.4492 8.0827 118.0796 56.1077 38.7849 176.6820 9 N 4.4654 8.4996 118.1680 55.6270 38.6331 177.3658 10 L 3.9492 7.6554 120.8874 57.3900 41.8889 179.0035 11 L 3.9746 7.8167 119.9611 58.2138 41.9394 179.2399 12 R 3.9855 8.1985 117.5088 58.5545 29.8638 178.9059 13 A 4.0229 7.4040 120.6976 54.8698 18.6930 179.4100 14 I 3.5930 7.6575 118.3711 64.5545 37.1961 177.9632 15 E 3.8425 8.1796 119.5919 59.4799 29.4941 178.6578 16 A 3.7862 7.6457 120.5287 55.4025 18.4344 179.6629 17 Q 3.9813 8.6370 116.7145 58.9149 28.7971 178.7106 18 Q 3.9972 8.3953 121.2993 59.4186 29.0148 178.0670 19 H 4.2287 8.1329 117.2873 58.6935 28.9009 177.2388 20 L 3.9509 7.9751 122.1491 58.4247 41.7977 179.0935 21 L 4.4032 7.8844 119.8556 57.5542 41.4808 179.6511 22 Q 4.1206 8.1111 117.4561 58.6661 28.4791 178.8111 23 L 4.1742 7.7747 120.3840 57.5610 41.8449 179.4364 24 T 3.9437 7.8292 109.5591 64.9395 68.8355 176.7468 25 V 3.7104 8.2363 122.0004 65.3155 31.3781 177.8272 26 W 4.1355 8.2643 127.9224 60.5007 30.4293 178.1684 27 G 3.6265 8.6967 105.8567 47.8379 0.0000 175.7694 28 I 3.6490 8.2980 122.3055 64.0090 37.1282 178.3601 29 K 3.5939 8.2697 119.6945 59.6814 31.8129 178.8938 30 Q 3.6212 7.5035 119.4536 59.2955 28.5175 178.6739 31 L 3.8598 7.0816 118.6833 57.5413 41.8450 179.3453 32 Q 3.8970 7.6059 117.7969 58.8712 28.2670 178.2542 33 A 4.0149 8.0855 122.0324 55.2759 17.9694 179.6737 34 R 3.8994 7.2800 116.3163 59.7337 30.1690 178.2579 35 S 4.1292 8.2193 112.6088 58.6435 63.3002 175.3198 36 G 4.7829 7.8302 123.9105 45.1062 0.0000 170.6557 37 G 4.2289 8.4419 115.8634 45.4197 0.0000 171.5421 38 R 5.1845 8.1995 118.5887 55.6885 31.0562 178.2562 39 G 3.7402 8.3623 107.9516 47.8669 0.0000 175.5493 40 G 3.3418 7.7421 107.1136 46.6309 0.0000 174.6850 41 W 4.8607 7.5715 118.7509 56.7454 29.2467 177.3244 42 M 4.1623 8.2334 121.5598 59.1405 31.5099 178.5442 43 E 3.6748 8.3256 117.5147 58.7960 29.6358 179.1689 44 W 4.2701 8.2477 128.3706 60.4594 30.9218 177.7363 45 D 4.3176 9.2692 119.8252 57.6228 40.3458 179.0464 46 R 3.9494 8.8478 119.3971 59.1404 30.0511 178.8238 47 E 4.0619 8.1015 119.0606 59.1763 29.5454 178.8407 48 I 3.4945 7.4939 119.7903 64.4480 37.1139 177.8777 49 N 4.2521 8.3558 117.4723 56.5588 38.3571 176.9146 50 N 4.2107 8.2407 117.5464 56.9086 38.6504 177.0869 51 Y 3.8711 8.0344 117.1861 61.0913 37.9237 178.2638 52 T 3.8107 8.2343 117.0299 66.6954 68.4026 176.6339 53 S 4.0883 8.4148 115.4535 61.1995 62.4016 175.9817 54 L 3.9590 7.6453 122.8883 57.9117 41.7062 179.0685 55 I 3.7548 8.1404 120.3452 64.5124 37.0218 177.9205 56 H 4.2316 8.3715 117.4266 59.2007 28.6181 177.8590 57 S 4.1019 7.9213 114.5935 61.3128 61.9456 176.1672 58 L 4.0565 7.7596 121.1154 57.5988 41.6276 179.2587 59 I 3.9238 8.0963 120.6019 64.2699 37.0275 178.2842 60 E 4.0194 8.4271 118.7105 59.3745 29.2397 178.5157 61 E 4.2133 8.1755 117.5803 57.6354 29.7207 178.1407 62 S 4.4951 7.6503 113.6416 59.9826 63.6694 176.2712 63 Q 4.1530 7.8690 121.5625 58.6642 28.6823 177.2121 64 N 4.7294 7.7170 114.0737 53.0897 38.7139 175.4596 65 Q 4.4995 7.0041 120.4354 52.9196 29.1102 173.6862 66 Q 4.5768 7.8219 122.0587 55.8675 30.9301 174.4299 67 E 3.9940 8.4585 118.0881 56.9767 28.9333 176.8930 68 K 4.1908 8.4039 122.4693 56.3768 32.7047 176.5322 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 S 8.32 4.37 0.00 3.88 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 2 G 9.47 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.09 3.19 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 1.41 0.46 0.91 0.00 0.00 4 V 7.99 4.31 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 0.73 0.00 0.00 0.93 0.00 0.00 5 Q 8.11 3.95 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 6 Q 8.03 3.94 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 7 Q 7.90 4.03 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 8 N 8.08 4.45 0.00 2.77 3.03 0.00 0.00 7.11 6.87 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 9 N 8.50 4.47 0.00 2.89 2.84 0.00 0.00 6.91 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 10 L 7.66 3.95 0.00 1.79 1.70 1.03 0.45 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 11 L 7.82 3.97 0.00 1.89 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.20 3.99 0.00 1.98 1.95 0.00 3.16 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 13 A 7.40 4.02 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 14 I 7.66 3.59 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 1.41 0.71 0.91 0.00 0.00 15 E 8.18 3.84 0.00 2.21 1.87 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 2.32 2.35 0.00 16 A 7.65 3.79 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 17 Q 8.64 3.98 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 18 Q 8.40 4.00 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 19 H 8.13 4.23 0.00 3.44 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.98 3.95 0.00 2.02 1.75 0.93 0.45 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 21 L 7.88 4.40 0.00 1.93 1.70 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.11 4.12 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 23 L 7.77 4.17 0.00 1.92 1.76 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.83 3.94 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 1.30 0.00 0.00 25 V 8.24 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 0.91 0.00 0.00 0.88 0.00 0.00 26 W 8.26 4.14 0.00 3.50 3.41 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 27 G 8.70 3.63 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 0.00 28 I 8.30 3.65 2.15 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.69 0.00 0.00 29 K 8.27 3.59 0.00 1.87 1.70 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.50 1.63 7.81 30 Q 7.50 3.62 0.00 1.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 31 L 7.08 3.86 0.00 1.65 1.56 0.84 0.83 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 32 Q 7.61 3.90 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.52 2.00 0.00 33 A 8.09 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.28 3.90 0.00 1.86 1.98 0.00 3.33 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 35 S 8.22 4.13 0.00 4.01 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 36 G 7.83 4.78 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 0.00 0.00 0.00 37 G 8.44 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 5.18 0.00 2.04 2.14 0.00 3.14 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 39 G 8.36 3.74 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 0.00 0.00 0.00 40 G 7.74 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.57 4.86 0.00 3.59 3.40 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 42 M 8.23 4.16 0.00 2.13 2.21 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 2.73 2.88 0.00 43 E 8.33 3.67 0.00 2.08 2.10 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 2.45 2.36 0.00 44 W 8.25 4.27 0.00 3.62 3.67 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 45 D 9.27 4.32 0.00 2.98 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 46 R 8.85 3.95 0.00 1.90 2.02 0.00 3.17 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 47 E 8.10 4.06 0.00 2.46 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 2.31 2.47 0.00 48 I 7.49 3.49 1.80 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.16 0.71 0.00 0.00 49 N 8.36 4.25 0.00 2.87 2.88 0.00 0.00 7.12 6.86 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 50 N 8.24 4.21 0.00 3.08 2.66 0.00 0.00 7.09 7.09 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 51 Y 8.03 3.87 0.00 3.04 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 52 T 8.23 3.81 4.20 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 0.00 0.00 0.00 1.09 0.00 0.00 53 S 8.41 4.09 0.00 3.86 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 54 L 7.65 3.96 0.00 1.64 1.75 0.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.14 3.75 1.95 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 1.54 0.68 0.97 0.00 0.00 56 H 8.37 4.23 0.00 3.16 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.92 4.10 0.00 3.84 4.08 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 58 L 7.76 4.06 0.00 1.95 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.10 3.92 2.14 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 1.59 0.96 0.93 0.00 0.00 60 E 8.43 4.02 0.00 2.19 2.29 0.00 0.00 0.00 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 61 E 8.18 4.21 0.00 2.18 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 2.34 2.35 0.00 62 S 7.65 4.50 0.00 4.04 4.28 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 63 Q 7.87 4.15 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 64 N 7.72 4.73 0.00 2.85 2.93 0.00 0.00 6.88 8.74 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 65 Q 7.00 4.50 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 66 Q 7.82 4.58 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 67 E 8.46 3.99 0.00 1.98 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 2.33 0.00 68 K 8.40 4.19 0.00 1.70 1.66 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.54 7.81