NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4404 8.3344 115.4126 58.6192 64.3696 172.6939 2 T 4.0422 7.8405 113.7837 60.7727 69.9144 171.1234 3 A 4.3307 9.2905 132.2494 51.4418 20.4547 176.9424 4 L 4.1847 8.2331 121.3706 54.3608 42.5549 176.9870 5 A 4.3016 8.1623 124.2486 50.9744 19.5671 177.3959 6 K 3.9891 8.4435 122.0810 55.8322 32.4343 175.4163 7 P 4.6247 0.0000 0.0000 61.3183 33.3999 174.4789 8 Q 4.2126 8.4252 119.4928 56.2274 29.2242 175.2743 9 M 4.6196 8.6669 123.4826 55.0247 34.4798 175.8854 10 R 4.5449 7.2884 116.6036 55.3443 32.2080 175.9352 11 G 3.9697 8.7156 108.1988 46.8911 0.0000 175.9285 12 L 3.9807 8.0410 122.2083 57.2729 41.4484 178.8660 13 L 3.9531 7.8459 119.5614 57.9392 42.1833 178.3910 14 A 3.9971 8.0074 120.2116 55.4211 18.2798 179.2686 15 R 3.9017 8.2647 116.8380 59.7383 30.1860 179.2071 16 R 4.0451 7.7607 118.0955 59.2683 30.1403 178.1023 17 L 3.9177 8.2436 120.4051 58.4256 41.9120 178.8606 18 R 4.0035 7.9932 116.6641 59.8145 30.4732 178.3603 19 F 4.5573 8.2244 119.8056 61.8144 39.4015 176.8159 20 H 3.5677 8.3494 115.6722 58.5978 28.6265 177.5033 21 I 3.7634 8.3914 120.8729 64.1757 37.5559 178.1623 22 V 3.8575 7.9187 118.6572 66.1373 31.4458 178.2234 23 G 3.6379 8.1100 104.6927 47.7163 0.0000 175.2303 24 A 3.9217 8.3372 123.3150 55.0752 18.4064 179.7701 25 F 4.0270 7.9416 117.0914 60.3941 38.9659 177.7020 26 M 4.1313 8.4173 118.4899 58.5947 31.8781 178.8624 27 V 3.6827 8.1157 118.5485 66.1274 31.4758 177.9610 28 S 4.2325 8.4114 114.0819 61.8141 62.5788 176.6017 29 L 4.2310 8.7992 122.8576 57.4244 41.3425 179.2374 30 G 3.7028 8.4972 105.9122 48.0839 0.0000 175.2860 31 F 4.0259 8.3057 120.0719 60.1898 39.0431 177.9008 32 A 4.1113 8.0532 120.3396 55.4791 18.2293 179.6866 33 T 3.9210 8.6511 108.4164 64.9034 68.7196 176.0408 34 F 4.2960 9.0961 123.9071 61.4264 39.3972 176.3767 35 Y 3.7839 8.2736 118.8810 60.8135 38.4955 177.4277 36 K 3.6047 8.1331 120.1914 59.9407 32.2544 178.6669 37 F 4.0411 8.2220 117.0781 60.5332 38.9543 177.6769 38 A 4.0493 8.1237 118.2830 53.7715 18.2298 177.5380 39 V 3.8482 6.9546 114.2506 63.4438 33.5832 176.8251 40 A 3.7859 7.2009 121.4773 54.8854 18.1941 178.7500 41 E 3.7584 8.6546 116.5337 59.2012 29.7013 179.2614 42 K 3.8041 7.9641 118.7649 59.8104 32.3053 178.3815 43 R 3.9520 8.0082 118.6497 59.3072 29.5929 178.0797 44 K 3.8760 8.2765 119.6190 59.4559 32.0472 178.6604 45 K 4.0034 8.0181 119.0870 59.5021 32.1587 178.3847 46 A 4.0385 8.2899 121.4157 55.8943 18.1288 179.2595 47 Y 3.8318 8.2722 114.3336 60.7284 37.7713 178.2190 48 A 4.1436 7.6221 119.8603 55.2752 18.8800 179.0981 49 D 4.4915 8.6382 117.8481 57.7724 40.9680 178.2830 50 F 3.9026 8.0155 120.7641 61.9548 39.1047 176.1302 51 Y 4.4194 8.0383 113.6456 59.1103 37.7516 177.6691 52 R 4.2228 7.8742 121.1901 58.4717 30.3652 176.6770 53 N 5.0242 7.5263 114.3700 52.8402 39.3004 173.5823 54 Y 4.0751 8.0232 119.5632 57.0054 39.7547 173.3795 55 D 4.6095 7.6003 126.1160 51.7876 42.8250 176.0239 56 S 3.8671 7.9858 124.4610 60.8251 62.9614 175.9864 57 M 4.0733 7.9666 121.1553 58.2229 32.0240 177.8682 58 K 3.8998 8.0996 119.2697 59.5436 32.4123 177.9477 59 D 4.3128 8.1217 118.3258 57.2714 41.0926 177.9624 60 F 4.3344 8.7466 121.4133 61.4030 39.4391 176.6664 61 E 3.6840 8.7420 118.4254 59.6224 29.1133 179.1113 62 E 3.9218 8.0120 116.9042 59.9575 29.7307 179.2805 63 M 4.0160 7.9893 118.4372 58.0842 32.0404 178.7202 64 R 3.8938 8.1529 119.2492 59.5226 30.0024 178.8309 65 K 3.9773 8.1683 116.9090 59.0184 32.0881 178.4558 66 A 4.2333 7.4430 118.7854 52.1077 18.5286 177.9949 67 G 3.8377 7.7126 105.3270 45.9175 0.0000 175.2219 68 I 3.7284 7.4646 115.1952 63.1353 37.9356 176.7512 69 F 4.7839 7.4428 118.1997 57.1551 39.4548 175.0360 70 Q 4.6336 8.8319 119.3305 56.1089 29.5375 176.1723 71 S 4.4796 8.1565 111.7802 58.6237 64.2130 174.1004 72 A 4.4241 7.8522 123.8351 51.3894 20.1112 175.9799 73 K 4.2599 8.6633 120.4832 57.4053 32.3623 177.1019 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 8.33 4.44 0.00 3.99 3.94 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 0.00 0.00 0.00 0.00 2 T 7.84 4.04 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 3 A 9.29 4.33 1.24 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 0.00 0.00 0.00 4 L 8.23 4.18 0.00 1.65 1.61 0.92 0.80 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 5 A 8.16 4.30 1.23 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 6 K 8.44 3.99 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.62 0.00 2.22 2.07 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 Q 8.43 4.21 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.67 4.62 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 10 R 7.29 4.54 0.00 1.83 1.83 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 11 G 8.72 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 12 L 8.04 3.98 0.00 1.71 1.76 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.85 3.95 0.00 1.77 1.66 0.93 1.18 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 14 A 8.01 4.00 1.39 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 15 R 8.26 3.90 0.00 2.20 2.07 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 16 R 7.76 4.05 0.00 1.89 2.15 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 17 L 8.24 3.92 0.00 1.81 1.83 0.93 1.16 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 18 R 7.99 4.00 0.00 2.03 2.08 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 19 F 8.22 4.56 0.00 3.03 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 20 H 8.35 3.57 0.00 3.09 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.39 3.76 2.12 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 1.58 1.56 1.13 0.00 0.00 22 V 7.92 3.86 2.40 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 1.13 0.00 0.00 1.00 0.00 0.00 23 G 8.11 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 24 A 8.34 3.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.03 0.00 3.29 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 26 M 8.42 4.13 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 27 V 8.12 3.68 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 1.29 0.00 0.00 1.06 0.00 0.00 28 S 8.41 4.23 0.00 4.05 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 29 L 8.80 4.23 0.00 2.00 1.87 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.50 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.03 0.00 3.37 3.24 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 0.00 32 A 8.05 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 3.92 4.64 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 1.42 0.00 0.00 34 F 9.10 4.30 0.00 3.10 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 35 Y 8.27 3.78 0.00 3.30 3.21 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 0.00 0.00 0.00 36 K 8.13 3.60 0.00 1.86 1.14 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.29 7.81 37 F 8.22 4.04 0.00 3.07 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 38 A 8.12 4.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.95 3.85 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 0.00 0.00 0.53 0.00 0.00 0.58 0.00 0.00 40 A 7.20 3.79 1.16 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 0.00 0.00 41 E 8.65 3.76 0.00 2.02 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 2.47 2.44 0.00 42 K 7.96 3.80 0.00 1.79 1.90 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 43 R 8.01 3.95 0.00 1.96 2.19 0.00 3.12 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 44 K 8.28 3.88 0.00 2.15 1.83 0.00 1.53 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.51 7.81 45 K 8.02 4.00 0.00 1.94 2.01 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 46 A 8.29 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 3.83 0.00 3.21 3.20 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 0.00 48 A 7.62 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.49 0.00 2.70 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 50 F 8.02 3.90 0.00 3.00 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 51 Y 8.04 4.42 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 52 R 7.87 4.22 0.00 2.16 2.06 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 53 N 7.53 5.02 0.00 2.79 2.72 0.00 0.00 7.01 7.34 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 54 Y 8.02 4.08 0.00 2.97 2.93 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 55 D 7.60 4.61 0.00 2.63 2.30 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 56 S 7.99 3.87 0.00 4.21 4.33 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 57 M 7.97 4.07 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 58 K 8.10 3.90 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 59 D 8.12 4.31 0.00 2.86 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 60 F 8.75 4.33 0.00 3.21 3.33 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 61 E 8.74 3.68 0.00 2.14 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 2.69 2.57 0.00 62 E 8.01 3.92 0.00 2.06 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 2.32 2.58 0.00 63 M 7.99 4.02 0.00 1.64 2.27 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.47 0.00 64 R 8.15 3.89 0.00 0.95 1.76 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 65 K 8.17 3.98 0.00 1.90 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 66 A 7.44 4.23 1.21 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 0.00 0.00 0.00 0.00 0.00 67 G 7.71 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 68 I 7.46 3.73 1.60 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.72 0.00 0.00 69 F 7.44 4.78 0.00 3.38 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 70 Q 8.83 4.63 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 71 S 8.16 4.48 0.00 3.98 4.03 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 72 A 7.85 4.42 1.42 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 0.00 0.00 73 K 8.66 4.26 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81