NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5942 8.3644 120.1909 54.3314 42.3967 174.2048 2 Q 4.4122 8.1657 124.8388 53.0886 32.0038 169.5575 3 E 4.7758 8.2133 119.4229 54.9052 33.6063 173.0284 4 S 4.6390 8.0112 111.8774 56.8382 66.1260 174.9862 5 C 4.3424 8.4333 119.0163 58.2771 43.2530 172.9720 6 K 4.2364 7.4112 117.4874 60.7278 30.6768 176.7720 7 G 4.1343 9.3946 112.2217 45.2094 0.0000 172.8430 8 R 4.5292 8.5477 117.3324 55.7205 32.5654 174.7540 9 C 4.3327 8.4359 115.0851 58.7276 38.8761 173.6936 10 T 3.5652 8.6604 122.8851 64.3443 66.2612 174.2310 11 E 4.0245 8.1161 119.8412 57.8016 30.0465 178.1645 12 G 4.0704 7.4022 105.8683 44.9439 0.0000 172.9881 13 F 4.4642 8.4620 122.1849 57.6364 40.0452 175.4325 14 N 4.0377 8.2371 125.0004 52.2974 39.9385 174.9121 15 V 3.3639 6.6548 123.7606 63.2420 31.6216 177.6895 16 D 4.3094 7.3347 118.8728 56.6936 40.9262 176.7898 17 K 4.1677 7.9523 118.8970 55.6408 32.5728 178.0472 18 K 4.0206 8.5481 122.8434 58.5598 32.4498 177.4424 19 C 5.0592 7.4381 114.9376 54.8933 46.2473 174.7328 20 Q 4.3621 8.5585 129.0652 55.2486 27.3473 176.0625 21 C 4.8545 7.8200 120.9650 56.0047 38.7058 172.3984 22 D 5.1333 7.6678 118.3141 52.3043 42.1536 175.7720 23 E 4.2484 8.9518 117.8138 58.7662 29.6221 177.9942 24 L 4.6466 8.4174 117.5339 54.3847 42.8079 175.8177 25 C 4.5877 7.9115 114.8963 58.4866 39.6682 176.0148 26 S 3.9547 7.9449 116.4351 61.3754 62.4085 175.4621 27 Y 3.9384 7.6204 120.2402 59.3836 38.5716 175.5496 28 Y 4.4545 7.6099 114.3917 56.8800 39.9338 175.2503 29 Q 3.5012 7.6006 117.6904 57.2585 27.1203 174.1094 30 S 4.6721 7.8643 107.1995 58.0259 63.9632 174.2799 31 C 4.9809 8.1033 120.6501 56.0617 38.6331 171.7727 32 C 4.4897 8.7188 117.0698 55.6406 41.4060 175.1147 33 T 3.7837 8.5004 111.4128 64.4530 68.6259 173.9164 34 D 4.8108 7.7923 122.4752 53.5228 41.9349 176.3886 35 Y 4.2254 8.2720 120.4778 61.0464 38.8250 178.4386 36 T 3.8827 8.1733 112.8738 65.1254 68.6610 174.6003 37 A 4.6640 7.9856 122.0372 51.4890 20.8129 176.4937 38 E 4.5152 8.0992 113.2689 56.8913 31.8195 177.3944 39 C 4.7476 7.9790 112.7851 55.7064 41.9469 173.8658 40 K 3.0646 7.5571 120.6226 55.8956 31.7247 174.1997 41 P 4.4113 0.0000 0.0000 61.4817 32.0031 175.9921 42 Q 4.1046 8.4564 118.5282 56.9714 29.4087 177.6132 43 V 4.5308 7.8162 113.5770 59.9144 32.6036 176.1959 44 T 3.7751 7.8502 108.8784 62.4142 69.0837 173.8917 45 R 4.3676 9.2160 122.0699 55.8555 32.1848 174.8654 46 G 3.5435 7.0626 109.0568 45.3400 0.0000 173.3693 47 D 4.9241 7.3744 118.4740 52.2926 40.5564 175.4663 48 V 4.3324 6.5030 118.1661 61.1050 33.8486 174.6625 49 F 4.9857 8.4715 123.2971 57.3683 40.4388 174.1583 50 T 4.7912 7.9037 115.4094 62.1947 72.1107 173.8595 51 M 4.3114 8.3828 122.5378 56.0033 32.4328 174.5510 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 D 8.36 4.59 0.00 2.63 2.63 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 2 Q 8.17 4.41 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 3 E 8.21 4.78 0.00 2.05 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 0.00 2.17 2.28 0.00 4 S 8.01 4.64 0.00 3.97 3.98 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 0.00 0.00 0.00 5 C 8.43 4.34 0.00 2.88 3.11 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 0.00 0.00 0.00 0.00 6 K 7.41 4.24 0.00 1.83 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.39 7.81 7 G 9.39 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 8 R 8.55 4.53 0.00 1.94 2.06 0.00 3.25 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 9 C 8.44 4.33 0.00 2.95 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 10 T 8.66 3.57 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 1.27 0.00 0.00 11 E 8.12 4.02 0.00 2.12 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 0.00 2.46 2.30 0.00 12 G 7.40 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 0.00 0.00 0.00 13 F 8.46 4.46 0.00 3.13 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 14 N 8.24 4.04 0.00 2.56 2.44 0.00 0.00 6.55 7.59 0.00 0.00 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 V 6.65 3.36 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.40 0.00 0.00 16 D 7.33 4.31 0.00 2.61 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 17 K 7.95 4.17 0.00 1.85 1.66 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 18 K 8.55 4.02 0.00 1.67 1.83 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 19 C 7.44 5.06 0.00 2.98 2.92 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 20 Q 8.56 4.36 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.52 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 21 C 7.82 4.85 0.00 3.20 3.26 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 22 D 7.67 5.13 0.00 2.98 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 23 E 8.95 4.25 0.00 2.04 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 2.41 2.43 0.00 24 L 8.42 4.65 0.00 1.64 1.52 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.91 4.59 0.00 3.16 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 3.95 0.00 4.04 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 27 Y 7.62 3.94 0.00 2.75 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 Y 7.61 4.45 0.00 2.99 2.86 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 29 Q 7.60 3.50 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.29 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 30 S 7.86 4.67 0.00 3.94 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 31 C 8.10 4.98 0.00 2.84 2.99 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 32 C 8.72 4.49 0.00 3.22 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 33 T 8.50 3.78 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 1.23 0.00 0.00 34 D 7.79 4.81 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.23 0.00 3.09 2.99 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 36 T 8.17 3.88 4.29 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 1.27 0.00 0.00 37 A 7.99 4.66 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 38 E 8.10 4.52 0.00 1.99 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 2.18 2.39 0.00 39 C 7.98 4.75 0.00 2.84 3.11 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 0.00 0.00 0.00 0.00 40 K 7.56 3.06 0.00 1.45 1.56 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 41 P 0.00 4.41 0.00 2.10 2.03 0.00 3.76 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 42 Q 8.46 4.10 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.51 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 43 V 7.82 4.53 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 0.89 0.00 0.00 0.89 0.00 0.00 44 T 7.85 3.78 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 1.13 0.00 0.00 45 R 9.22 4.37 0.00 1.68 1.84 0.00 3.36 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 46 G 7.06 3.54 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 0.00 47 D 7.37 4.92 0.00 2.72 2.68 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 48 V 6.50 4.33 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 0.58 0.00 0.00 0.83 0.00 0.00 49 F 8.47 4.99 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 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 1.23 0.00 0.00 51 M 8.38 4.31 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00