NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.7662 8.5245 117.7903 52.5467 39.3168 175.3858 10 E 4.6500 8.3908 113.8056 55.8814 31.8877 171.4984 11 R 3.9676 8.5196 123.0515 60.4363 30.5745 178.1466 12 V 3.5631 7.7478 117.5441 66.0612 31.5861 177.4242 13 E 3.9896 8.2754 120.2355 60.1029 29.3288 180.1041 14 K 3.9875 8.1751 123.4372 59.8364 31.7969 181.0689 15 I 3.9140 7.8035 121.3238 64.1900 37.0517 178.4330 16 I 3.6951 8.3874 121.0655 64.6813 36.9061 178.2575 17 Q 3.9926 8.3113 120.2500 59.3245 28.4044 178.0059 18 D 4.3506 8.1976 119.9301 57.1447 40.8684 178.8441 19 L 4.0581 7.9171 119.7029 57.8520 41.6159 179.5164 20 L 4.1645 8.0156 118.8803 57.6894 41.4537 179.2457 21 D 4.3372 8.4240 119.4157 57.1060 40.6935 178.9141 22 V 3.5756 7.4640 117.6503 66.0345 31.5962 178.1430 23 L 3.9979 7.5201 117.3328 57.6796 41.4718 179.6534 24 V 3.5585 8.0212 118.3823 65.8384 31.2747 177.6846 25 K 3.8486 8.1157 118.3761 59.7803 32.1029 177.8096 26 E 4.1793 8.0691 114.5542 55.7005 30.2437 176.3428 27 E 3.8416 8.3155 118.4155 57.3945 27.6384 175.2102 28 V 4.0269 7.6087 110.2118 61.0905 33.1848 177.6264 29 T 4.3058 8.0900 118.5553 62.3891 70.6457 174.2444 30 P 4.2025 0.0000 0.0000 65.9834 31.1895 178.7911 31 D 4.3732 7.9591 116.2304 56.3987 39.4840 177.9158 32 L 4.0656 7.8402 120.2250 57.5411 42.4170 178.2138 33 A 4.2135 8.7830 121.4820 55.0709 18.3417 181.4781 34 L 4.3000 8.1767 117.5641 55.0944 41.7026 179.3614 *36 C 4.4724 8.1129 118.2495 59.9399 30.3743 176.4514 37 L 4.1212 8.4530 120.0083 57.6734 41.0443 179.7475 38 G 3.6417 8.3426 105.8043 48.0461 0.0000 175.4738 39 N 4.3879 8.4121 119.8209 55.2039 38.6805 177.2001 40 A 3.9470 8.0297 122.2367 55.1578 18.4307 179.8738 41 V 3.4078 8.0127 117.2383 66.2478 31.5630 178.2734 42 T 3.7386 8.0390 109.7800 64.8872 68.2298 175.8676 43 N 4.3706 7.9080 118.9644 56.3371 39.2132 176.7356 44 I 3.8692 7.4815 120.8155 64.4365 37.2984 178.4527 45 I 3.8297 7.9171 120.4681 64.0070 36.6543 177.6138 46 A 4.2529 7.7478 119.2497 53.2995 18.3053 178.1978 47 Q 4.4074 8.2215 115.8831 54.7449 29.5439 175.5239 48 V 4.4913 6.7223 113.2921 58.2482 34.6787 173.8196 49 P 4.2998 0.0000 0.0000 63.1671 31.7766 177.5697 50 E 3.9863 8.9505 121.8257 59.5419 29.1643 179.4889 51 S 4.3025 8.0659 112.0590 59.9729 63.4434 175.1454 52 K 4.4858 8.1585 121.3695 56.3745 33.2233 178.1318 53 R 3.8827 7.5339 119.4644 59.2467 29.9336 178.9613 54 V 3.5480 7.7509 117.1039 65.8886 31.5734 177.6243 55 A 3.9849 7.9681 120.0063 55.1726 18.2369 179.5332 56 V 3.5614 7.9989 117.0176 66.1998 31.5661 178.6299 57 V 3.6494 8.1195 119.2454 64.9235 31.1427 177.9967 58 D 4.4710 8.4191 121.2686 56.7315 40.6575 178.6002 59 N 4.3834 8.4878 117.1365 56.1611 38.5571 177.3349 60 F 4.0893 8.5506 122.5271 61.4445 38.9744 177.3684 61 T 3.9721 8.5456 109.9699 64.5865 68.6964 176.5947 62 K 3.9131 8.3289 122.4040 59.0078 32.2343 178.4879 63 A 3.9182 8.0446 121.0627 55.2882 18.4063 179.5686 64 L 3.8059 7.4104 116.8009 57.9735 41.4540 180.0684 65 K 4.0275 7.9153 117.1743 59.3558 31.9287 179.0854 66 Q 4.2103 8.2125 120.9597 59.1367 28.5595 178.6664 67 S 4.1564 7.9555 117.7665 61.7630 62.5980 178.6097 68 V 4.0528 7.4986 118.3378 65.1513 31.4704 176.0764 69 L 4.3712 7.3020 123.2635 55.8707 40.7736 176.0954 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 9 N 8.52 4.77 0.00 2.76 2.73 0.00 0.00 6.32 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 10 E 8.39 4.65 0.00 1.90 1.84 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 2.20 1.93 0.00 11 R 8.52 3.97 0.00 1.87 1.98 0.00 3.15 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 12 V 7.75 3.56 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 1.02 0.00 0.00 0.94 0.00 0.00 13 E 8.28 3.99 0.00 2.23 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 0.00 2.41 2.33 0.00 14 K 8.18 3.99 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 15 I 7.80 3.91 2.03 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 0.80 0.92 0.00 0.00 16 I 8.39 3.70 2.03 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 1.42 0.81 0.92 0.00 0.00 17 Q 8.31 3.99 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 18 D 8.20 4.35 0.00 2.92 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 19 L 7.92 4.06 0.00 1.92 1.72 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.02 4.16 0.00 1.84 1.72 0.92 1.11 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 21 D 8.42 4.34 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.58 2.26 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 1.03 0.00 0.00 0.97 0.00 0.00 23 L 7.52 4.00 0.00 1.93 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.02 3.56 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 0.89 0.00 0.00 1.00 0.00 0.00 25 K 8.12 3.85 0.00 1.97 2.02 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 26 E 8.07 4.18 0.00 2.00 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 2.48 2.49 0.00 27 E 8.32 3.84 0.00 2.02 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 2.26 2.43 0.00 28 V 7.61 4.03 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 0.71 0.00 0.00 0.99 0.00 0.00 29 T 8.09 4.31 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 30 P 0.00 4.20 0.00 2.15 2.12 0.00 3.60 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 2.16 0.00 31 D 7.96 4.37 0.00 2.83 2.81 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 0.00 0.00 0.00 0.00 32 L 7.84 4.07 0.00 1.66 1.85 0.92 1.00 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 33 A 8.78 4.21 1.40 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 0.00 0.00 34 L 8.18 4.30 0.00 1.82 1.71 0.93 0.84 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 *36 C 8.11 4.47 0.00 3.15 3.02 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 37 L 8.45 4.12 0.00 1.89 1.77 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.39 0.00 2.87 2.87 0.00 0.00 7.50 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 40 A 8.03 3.95 1.40 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 0.00 0.00 41 V 8.01 3.41 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 0.31 0.00 0.00 0.99 0.00 0.00 42 T 8.04 3.74 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 1.25 0.00 0.00 43 N 7.91 4.37 0.00 2.80 3.09 0.00 0.00 7.29 8.11 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 44 I 7.48 3.87 1.91 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 1.76 0.73 0.87 0.00 0.00 45 I 7.92 3.83 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.85 0.00 0.00 46 A 7.75 4.25 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 47 Q 8.22 4.41 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 48 V 6.72 4.49 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 0.69 0.00 0.00 1.02 0.00 0.00 49 P 0.00 4.30 0.00 2.17 1.99 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 50 E 8.95 3.99 0.00 2.00 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 0.00 2.39 2.37 0.00 51 S 8.07 4.30 0.00 4.02 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 52 K 8.16 4.49 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.43 7.81 53 R 7.53 3.88 0.00 1.80 1.96 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 54 V 7.75 3.55 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 1.18 0.00 0.00 0.93 0.00 0.00 55 A 7.97 3.98 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 56 V 8.00 3.56 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 1.03 0.00 0.00 0.96 0.00 0.00 57 V 8.12 3.65 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 0.98 0.00 0.00 0.93 0.00 0.00 58 D 8.42 4.47 0.00 3.00 2.78 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 59 N 8.49 4.38 0.00 2.79 2.90 0.00 0.00 6.69 8.08 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 60 F 8.55 4.09 0.00 3.15 3.25 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 0.00 61 T 8.55 3.97 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 1.43 0.00 0.00 62 K 8.33 3.91 0.00 2.03 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 A 8.04 3.92 1.26 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 0.00 0.00 0.00 64 L 7.41 3.81 0.00 1.74 1.62 0.83 0.63 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 65 K 7.92 4.03 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 66 Q 8.21 4.21 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 67 S 7.96 4.16 0.00 3.72 3.77 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 0.00 0.00 0.00 68 V 7.50 4.05 2.15 0.00 0.00 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 0.95 0.00 0.00 69 L 7.30 4.37 0.00 1.87 1.61 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.