NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6925 8.2827 119.2062 53.1450 39.2710 174.4014 2 E 3.6572 8.6881 126.7900 58.3706 30.3466 177.8470 3 C 4.1921 8.8701 119.4731 60.1070 45.5829 175.5935 4 V 3.8257 8.3187 119.8162 65.6112 30.8158 178.0660 5 S 4.1168 8.0596 114.1590 61.4495 62.7749 176.1955 6 K 4.1190 8.0450 118.8920 56.9250 31.9034 177.8236 7 G 3.6489 7.8430 107.9676 44.8465 0.0000 173.3820 8 F 5.2219 7.9042 120.0298 56.0825 42.4636 174.5838 9 G 4.3930 8.4425 104.8498 46.0235 0.0000 171.7539 10 C 5.3171 8.7342 118.4734 56.3537 36.8708 173.2457 11 L 4.9769 8.9710 121.7072 52.1804 46.3837 174.0369 12 P 4.4495 0.0000 0.0000 63.1158 32.2726 177.2979 13 Q 3.9964 9.1227 122.4831 59.3012 28.8092 179.6948 14 S 4.2010 8.1249 110.4854 60.5666 62.9662 174.3918 15 D 4.7101 8.1964 119.0643 53.9980 41.3233 175.3740 16 C 4.7524 7.8813 118.6675 53.7904 42.8032 171.7860 17 P 4.5898 0.0000 0.0000 62.0079 32.0740 177.7563 18 Q 4.0050 8.7745 119.4235 59.3087 28.7325 179.2243 19 E 3.9098 8.1895 116.6342 58.3283 30.0112 176.8695 20 A 4.4401 8.2141 120.6817 52.2519 19.7420 177.2304 21 R 4.5021 7.4372 115.0596 55.7457 30.7923 175.9880 22 L 4.6286 8.2138 120.4370 52.8386 44.9421 177.2356 23 S 4.2736 7.9092 114.0533 59.1679 63.6616 174.3433 24 Y 4.4673 7.1462 119.4729 58.3104 38.2128 176.3360 25 G 3.8993 9.1114 113.2471 44.7664 0.0000 173.8916 26 G 3.9907 8.7506 106.2110 45.5022 0.0000 174.7610 27 C 4.8818 7.8394 116.4765 55.4250 41.8713 174.1878 28 S 4.2118 8.6758 119.6437 60.9848 64.1728 174.8569 29 T 4.6754 7.4427 105.7822 61.5743 69.3668 178.5651 30 V 4.5844 8.0803 111.6648 59.1450 35.9165 172.6701 31 C 4.7762 8.7456 124.0053 56.8089 41.6179 172.6712 32 C 5.3524 9.3341 125.7962 54.8566 48.1256 172.8482 33 D 5.0363 9.1699 125.6647 52.9705 39.8750 176.8474 34 L 4.1823 8.4792 127.3526 56.9817 42.0081 179.6875 35 S 4.3130 7.9610 112.7261 60.2421 62.9226 175.1045 36 K 4.3149 7.9252 119.2857 56.7612 32.4231 176.9857 37 L 4.3322 7.5501 119.3769 54.4537 42.2523 176.0221 38 T 4.5669 8.0860 110.2921 60.5258 71.9711 174.2880 39 G 3.9955 8.3498 106.8976 45.2633 0.0000 173.9858 40 C 4.2009 8.4339 118.0258 59.5189 43.2618 175.7653 41 K 4.0951 7.6957 119.6940 58.7436 31.9347 178.9227 42 G 3.6816 8.1220 106.3557 47.9670 0.0000 173.9430 43 K 4.2827 7.7350 117.5537 56.0680 32.1246 177.2218 44 G 3.8360 8.3233 107.1021 45.4186 0.0000 173.8121 45 G 4.0464 7.9538 108.0606 44.5514 0.0000 172.4913 46 E 4.9896 9.0663 119.8320 54.3487 33.1815 173.9643 47 C 4.9764 8.9768 124.5967 57.2949 37.8944 172.6551 48 N 5.4253 9.4075 120.7935 50.3469 43.1404 172.2460 49 P 4.7950 0.0000 0.0000 62.7901 32.1382 177.3994 50 L 4.0221 8.2306 121.8956 57.9387 41.6403 178.2888 51 D 4.5601 7.9626 115.2683 53.8066 39.8947 176.1383 52 R 4.1142 7.8313 122.0529 55.9354 30.5374 175.4973 53 Q 4.1796 8.7419 127.2925 56.1275 29.5727 173.4182 54 C 4.7836 8.2477 118.3472 54.6491 45.5797 173.3442 55 K 4.2833 8.1284 118.5555 55.2849 32.3870 175.9245 56 E 4.3656 8.5370 126.8800 55.4723 30.9056 176.6542 57 L 4.3545 8.8945 129.6924 53.4788 41.1799 176.5950 58 Q 4.1348 8.3325 123.9536 58.4581 28.6385 177.8159 59 A 4.1408 7.9713 120.0098 53.9107 18.6907 178.1029 60 E 4.4709 8.0838 115.6871 56.4251 30.3130 178.0659 61 S 4.1648 7.8454 116.2156 61.5451 62.7586 176.1658 62 A 4.0408 8.0696 123.2132 55.1358 17.8691 179.4061 63 S 4.1958 7.7011 111.3520 61.0433 63.1889 175.4804 64 C 4.4730 8.0406 119.6833 57.2180 38.1999 174.2494 65 G 3.9214 7.6724 106.4158 44.0758 0.0000 172.4449 66 K 4.0130 8.1645 119.7432 57.9604 32.3380 176.8534 67 G 3.9705 9.2146 113.5238 45.4406 0.0000 172.0460 68 Q 5.1875 7.8244 117.2712 53.8611 32.8295 174.3492 69 K 4.6466 9.1813 119.1442 55.7378 37.2140 174.1994 70 C 5.0480 8.9694 121.2529 55.6492 41.2026 171.6065 71 C 5.0420 8.7975 124.3596 55.1360 42.6057 173.0726 72 V 4.4100 7.8281 122.2966 60.8294 32.9206 174.9988 73 W 4.8570 8.5455 128.1911 55.7653 30.2169 176.4162 74 L 4.3945 8.7306 121.9351 54.9193 41.4651 176.2719 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 N 8.28 4.69 0.00 2.75 2.82 0.00 0.00 6.70 6.77 0.00 0.00 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 E 8.69 3.66 0.00 2.15 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 0.00 2.25 2.31 0.00 3 C 8.87 4.19 0.00 3.22 3.39 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 4 V 8.32 3.83 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 1.11 0.00 0.00 1.00 0.00 0.00 5 S 8.06 4.12 0.00 3.95 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 6 K 8.04 4.12 0.00 1.63 1.70 0.00 1.29 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 0.37 7.81 7 G 7.84 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 8 F 7.90 5.22 0.00 3.28 3.29 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 9 G 8.44 4.39 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 0.00 10 C 8.73 5.32 0.00 2.90 3.05 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 0.00 0.00 0.00 11 L 8.97 4.98 0.00 1.54 1.50 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.45 0.00 2.08 1.99 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 13 Q 9.12 4.00 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 14 S 8.12 4.20 0.00 3.98 4.01 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 15 D 8.20 4.71 0.00 2.77 2.73 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 16 C 7.88 4.75 0.00 2.91 2.95 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 17 P 0.00 4.59 0.00 2.21 1.94 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 18 Q 8.77 4.01 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 19 E 8.19 3.91 0.00 1.91 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 2.27 2.24 0.00 20 A 8.21 4.44 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 21 R 7.44 4.50 0.00 1.92 1.81 0.00 3.25 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 22 L 8.21 4.63 0.00 1.38 1.02 -0.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.91 4.27 0.00 3.84 3.80 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 0.00 0.00 0.00 24 Y 7.15 4.47 0.00 3.05 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 25 G 9.11 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.75 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 27 C 7.84 4.88 0.00 2.99 3.04 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 0.00 0.00 0.00 28 S 8.68 4.21 0.00 3.87 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 29 T 7.44 4.68 4.37 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 1.22 0.00 0.00 30 V 8.08 4.58 2.07 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 0.72 0.00 0.00 0.96 0.00 0.00 31 C 8.75 4.78 0.00 3.21 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 32 C 9.33 5.35 0.00 2.99 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 33 D 9.17 5.04 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.18 0.00 1.87 1.75 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.96 4.31 0.00 3.98 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 36 K 7.93 4.31 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 37 L 7.55 4.33 0.00 1.77 1.60 0.94 0.73 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 38 T 8.09 4.57 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 39 G 8.35 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 40 C 8.43 4.20 0.00 3.08 3.09 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 41 K 7.70 4.10 0.00 1.84 1.81 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.43 7.81 42 G 8.12 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.74 4.28 0.00 1.69 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.67 7.81 44 G 8.32 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 45 G 7.95 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.07 4.99 0.00 2.11 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 2.32 2.38 0.00 47 C 8.98 4.98 0.00 2.92 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.41 5.43 0.00 2.59 2.75 0.00 0.00 6.37 7.89 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 49 P 0.00 4.79 0.00 2.29 2.20 0.00 3.79 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 2.12 2.04 0.00 50 L 8.23 4.02 0.00 1.61 1.80 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.96 4.56 0.00 2.78 2.80 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 0.00 0.00 0.00 52 R 7.83 4.11 0.00 1.91 2.08 0.00 3.48 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 53 Q 8.74 4.18 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 54 C 8.25 4.78 0.00 2.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.13 4.28 0.00 1.55 1.71 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 56 E 8.54 4.37 0.00 1.90 1.77 0.00 0.00 0.00 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 2.37 0.00 57 L 8.89 4.35 0.00 1.57 1.48 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.33 4.13 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 59 A 7.97 4.14 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 60 E 8.08 4.47 0.00 1.95 2.02 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 2.22 2.44 0.00 61 S 7.85 4.16 0.00 4.00 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 62 A 8.07 4.04 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 63 S 7.70 4.20 0.00 3.98 4.01 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 64 C 8.04 4.47 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 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 66 K 8.16 4.01 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 67 G 9.21 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 0.00 0.00 0.00 68 Q 7.82 5.19 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 69 K 9.18 4.65 0.00 1.81 1.83 0.00 1.25 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.33 7.81 70 C 8.97 5.05 0.00 3.11 3.12 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 0.00 0.00 0.00 71 C 8.80 5.04 0.00 2.32 1.73 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 72 V 7.83 4.41 1.94 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 0.73 0.00 0.00 0.82 0.00 0.00 73 W 8.55 4.86 0.00 3.35 3.05 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 0.00 0.00 0.00 74 L 8.73 4.39 0.00 1.67 1.58 0.92 0.87 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