NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4212 8.3344 115.2906 58.1613 63.7263 172.9011 7 L 4.4233 8.1062 126.2074 54.9047 44.5121 176.9062 8 Q 3.9335 8.9397 120.4993 59.1122 29.8416 177.2262 9 D 4.3613 7.8796 119.5896 57.1504 40.9840 177.0263 10 P 4.2942 0.0000 0.0000 65.6040 31.4485 178.0417 11 Y 3.9982 7.8836 117.9125 60.8987 38.7932 178.2748 12 L 3.7852 8.0750 119.9539 57.5973 41.5315 179.1088 13 N 4.6212 8.5022 117.3815 56.8817 38.8098 177.2133 14 T 3.8889 7.9292 117.3922 66.5572 68.5459 176.7521 15 L 3.8541 7.5899 120.6356 57.5705 41.4971 179.5293 16 R 4.0776 7.9926 120.1113 58.7842 29.9429 178.3748 17 K 3.8329 8.2744 117.6123 59.7758 32.1306 178.1211 18 E 4.1896 8.2737 114.4655 56.1590 29.6041 176.6539 19 R 3.7840 7.8388 117.0741 56.8383 28.3690 176.5907 20 V 3.7631 7.5189 117.2102 62.2382 32.3261 174.0025 21 P 4.6107 0.0000 0.0000 62.9308 32.4867 175.7666 22 V 5.0267 9.2234 116.6876 59.7850 36.8331 174.3317 23 S 5.0778 9.0208 117.6401 56.8339 66.1446 173.4722 24 I 4.9109 8.7583 125.1448 59.8224 39.8476 174.0629 25 Y 4.8944 9.1400 126.0612 56.8111 39.5686 175.6517 26 L 4.8940 9.0031 124.4414 53.6754 43.3630 178.5232 27 V 3.6423 8.8437 114.9995 63.9040 31.5522 177.1219 28 N 4.7031 8.2568 115.7272 52.4091 37.3902 175.8310 29 G 4.0832 8.3769 109.1439 45.5025 0.0000 174.5050 30 I 3.8977 8.0252 121.3660 61.2853 38.3142 174.8961 31 K 4.5469 8.5497 127.4595 54.6809 33.6389 175.0849 32 L 4.8164 8.7769 127.6188 53.1699 44.5062 175.5602 33 Q 4.8864 9.3834 119.7253 52.9545 32.5491 176.8986 34 G 4.1301 7.4667 109.4711 46.1051 0.0000 171.6717 35 Q 4.7752 8.2483 121.1049 54.3856 32.4633 174.8050 36 I 4.2861 8.2948 121.8163 61.5196 37.5028 176.1781 37 E 4.1982 9.2796 130.3635 58.7447 30.4778 176.0177 38 S 4.7295 7.7005 111.7553 58.3663 66.0090 174.3251 39 F 5.0842 7.8193 113.4768 56.5231 38.8797 172.8065 40 D 4.6480 8.6316 119.5599 52.3238 41.7266 175.3508 41 Q 3.9369 8.8242 118.3743 58.9568 29.0877 177.6781 42 F 5.1165 9.0645 114.5342 57.1308 42.0496 175.3668 43 V 5.0496 7.9383 108.1831 59.6736 36.7221 174.2667 44 I 5.0492 8.6598 121.9223 59.5809 41.1824 174.6484 45 L 4.8130 9.3416 129.3380 53.9396 43.3745 174.7726 46 L 4.9930 8.8865 130.1874 53.3910 44.0477 174.7691 47 K 4.7259 8.6693 128.3123 54.7899 33.7486 173.8452 48 N 4.4655 8.3511 126.5941 53.2326 43.2067 175.5525 49 T 4.0632 8.8923 110.8287 66.3054 68.9923 174.3821 50 V 4.5004 7.2519 111.7663 59.5195 35.7333 174.2906 51 S 4.9874 8.4232 117.3930 58.5678 63.4660 172.9354 52 Q 4.6221 8.5853 119.6333 55.5530 32.0519 172.3904 53 M 4.7426 8.5968 121.2325 54.3524 33.6408 175.0130 54 V 4.4178 8.6641 126.5858 61.1611 34.3420 174.2876 55 Y 4.4835 8.5407 125.6814 57.2914 38.7196 176.7302 56 K 3.9988 9.1550 125.2066 59.7034 32.3707 178.9681 57 H 4.2164 8.3945 112.7715 57.7202 28.6005 175.5948 58 A 4.5981 8.2265 122.3737 51.9314 19.3576 176.0325 59 I 4.7483 7.8241 118.5603 60.2589 38.6313 175.4596 60 S 4.7482 9.3515 120.8147 60.1557 63.9881 174.4406 61 T 4.7939 7.7903 109.8605 59.3102 72.5435 172.2944 62 V 4.7714 8.4831 122.3576 61.3288 33.9218 174.8660 63 V 4.4296 9.0646 129.2135 60.4327 33.2788 173.2738 64 P 4.8601 0.0000 0.0000 62.5765 31.7019 177.0857 65 S 4.5651 8.8491 116.4485 60.0981 63.5670 174.1391 66 R 4.6428 7.6349 115.0964 54.0553 31.8445 172.8105 67 P 4.3994 0.0000 0.0000 63.2106 31.8473 176.3579 68 V 4.5567 7.8743 113.3709 59.0720 35.6622 175.6373 69 R 3.9835 8.5453 120.5157 56.9169 30.3974 176.2635 70 L 4.8559 8.1666 121.5173 52.1827 43.8346 174.8438 71 P 4.4644 0.0000 0.0000 63.0255 31.2171 176.3238 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 6 S 8.33 4.42 0.00 3.85 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 7 L 8.11 4.42 0.00 1.78 1.54 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.94 3.93 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 9 D 7.88 4.36 0.00 2.76 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.29 0.00 2.21 2.14 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 11 Y 7.88 4.00 0.00 3.14 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 12 L 8.08 3.79 0.00 0.74 0.72 0.23 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.50 4.62 0.00 3.26 3.00 0.00 0.00 7.15 7.67 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 14 T 7.93 3.89 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 1.18 0.00 0.00 15 L 7.59 3.85 0.00 1.74 1.59 0.62 0.42 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 16 R 7.99 4.08 0.00 2.11 2.19 0.00 3.27 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 17 K 8.27 3.83 0.00 1.73 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.59 7.81 18 E 8.27 4.19 0.00 2.03 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 2.32 2.33 0.00 19 R 7.84 3.78 0.00 1.92 1.98 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 20 V 7.52 3.76 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 0.70 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.61 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 9.22 5.03 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 0.75 0.00 0.00 0.96 0.00 0.00 23 S 9.02 5.08 0.00 3.77 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.76 4.91 1.83 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 1.24 0.64 0.93 0.00 0.00 25 Y 9.14 4.89 0.00 2.95 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 26 L 9.00 4.89 0.00 1.78 1.70 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.84 3.64 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 0.73 0.00 0.00 0.97 0.00 0.00 28 N 8.26 4.70 0.00 2.83 2.93 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.38 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 0.00 0.00 0.00 30 I 8.03 3.90 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.90 0.00 0.00 31 K 8.55 4.55 0.00 1.47 1.54 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.95 0.40 7.81 32 L 8.78 4.82 0.00 1.50 1.48 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.38 4.89 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.16 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 34 G 7.47 4.13 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 0.00 35 Q 8.25 4.78 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 36 I 8.29 4.29 1.89 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 1.20 1.12 1.03 0.00 0.00 37 E 9.28 4.20 0.00 1.95 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 2.29 2.25 0.00 38 S 7.70 4.73 0.00 3.76 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 F 7.82 5.08 0.00 3.21 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 40 D 8.63 4.65 0.00 2.86 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 41 Q 8.82 3.94 0.00 1.80 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.86 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 42 F 9.06 5.12 0.00 3.07 3.18 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 0.00 0.00 0.00 43 V 7.94 5.05 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 0.35 0.00 0.00 0.92 0.00 0.00 44 I 8.66 5.05 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.99 0.00 0.00 45 L 9.34 4.81 0.00 1.72 1.75 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.89 4.99 0.00 1.77 1.50 0.96 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.67 4.73 0.00 2.02 1.64 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 48 N 8.35 4.47 0.00 2.86 2.45 0.00 0.00 7.20 7.58 0.00 0.00 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 T 8.89 4.06 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 1.21 0.00 0.00 50 V 7.25 4.50 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 0.80 0.00 0.00 0.93 0.00 0.00 51 S 8.42 4.99 0.00 3.88 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 52 Q 8.59 4.62 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 53 M 8.60 4.74 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 54 V 8.66 4.42 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 1.03 0.00 0.00 0.92 0.00 0.00 55 Y 8.54 4.48 0.00 2.91 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.16 4.00 0.00 1.93 1.93 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.52 7.81 57 H 8.39 4.22 0.00 3.28 3.56 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.23 4.60 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.82 4.75 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.99 0.00 0.00 60 S 9.35 4.75 0.00 3.84 4.02 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 61 T 7.79 4.79 4.26 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 0.00 0.00 0.00 1.17 0.00 0.00 62 V 8.48 4.77 2.24 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 0.90 0.00 0.00 0.98 0.00 0.00 63 V 9.06 4.43 2.31 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 1.10 0.00 0.00 1.08 0.00 0.00 64 P 0.00 4.86 0.00 2.12 1.94 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 65 S 8.85 4.57 0.00 3.88 4.04 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 66 R 7.63 4.64 0.00 1.89 1.89 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 67 P 0.00 4.40 0.00 2.07 2.05 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 68 V 7.87 4.56 2.00 0.00 0.00 0.00 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 0.85 0.00 0.00 69 R 8.55 3.98 0.00 1.79 1.90 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 70 L 8.17 4.86 0.00 1.66 1.63 0.95 1.25 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 71 P 0.00 4.46 0.00 2.08 2.02 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00