NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2506 8.3149 120.1334 55.2988 33.4780 175.2612 2 P 4.1778 0.0000 0.0000 62.2423 31.5032 171.0890 3 V 4.4563 8.8540 117.8364 59.6234 35.0258 176.6515 4 S 4.4282 8.2591 119.8025 57.4181 61.1823 172.8017 5 L 4.3425 7.8025 123.3513 55.8821 44.2503 176.9619 6 S 4.2232 7.5823 110.7436 57.1257 64.3678 173.2363 7 Y 4.2514 8.1908 118.8350 57.0732 36.9731 175.4171 8 R 4.5125 8.3987 125.1184 54.5221 32.2348 175.0263 9 C 4.9082 8.6342 123.1878 54.3614 42.0411 172.1997 10 P 4.1721 0.0000 0.0000 65.9606 30.8773 177.0632 11 C 4.6326 8.3496 116.7815 56.6380 38.9306 173.1771 12 R 3.8631 8.5005 126.0468 58.1625 30.1333 176.4870 13 F 4.9946 7.8861 113.6125 55.4300 43.0255 173.5058 14 F 5.2144 7.9531 116.3668 55.1521 41.1158 174.4287 15 E 4.4083 9.9560 122.8418 56.1959 29.3468 175.6034 16 S 5.0254 8.6905 120.1862 57.5908 65.5803 174.2107 17 H 4.1446 9.1369 118.9086 56.7226 25.8923 175.5887 18 V 3.8120 7.3184 114.5686 61.6136 31.9937 175.2811 19 A 4.1573 8.3739 124.5315 51.3932 19.2494 178.8455 20 R 3.3736 7.9215 123.3327 58.5640 30.3197 178.1293 21 A 4.0048 7.6967 119.3333 53.9670 18.5958 177.1305 22 N 4.7032 7.9667 113.5969 53.1741 39.9256 174.4340 23 V 4.4538 7.2479 117.5163 61.1365 33.0784 175.9281 24 K 4.3565 8.7567 123.2306 58.7229 33.0027 176.2392 25 H 4.6914 7.6870 112.4983 55.1192 31.5017 172.3725 26 L 5.0923 8.6270 118.5093 52.7668 44.2855 175.9920 27 K 4.4832 9.3802 124.9244 54.7742 34.4426 174.5443 28 I 4.7935 8.3905 128.8012 59.6584 38.7679 175.6562 29 L 4.4308 9.0167 128.2098 54.2104 42.1503 175.4559 30 N 4.6913 8.6980 124.7865 52.9466 39.1208 174.2626 31 T 4.3513 8.3683 117.5224 59.8114 70.4043 173.7968 32 P 4.1893 0.0000 0.0000 66.1801 30.9101 176.5649 33 N 4.5650 8.2353 113.5078 53.4495 39.2599 174.5350 34 C 5.0100 7.9819 113.6205 55.2640 43.9170 174.4490 35 A 4.0876 8.0810 123.7269 51.8406 18.9296 176.2746 36 C 4.1708 8.4682 117.1221 60.2364 32.1928 173.7926 37 Q 4.5110 8.6175 126.0896 54.3552 32.2792 173.4231 38 I 4.9847 8.3121 125.8462 59.4172 41.1916 174.2520 39 V 4.8248 9.1965 125.9633 61.0259 34.2416 173.8336 40 A 5.1178 9.2071 129.9622 50.2393 21.6368 175.0509 41 R 4.8298 8.9249 123.3591 55.0703 31.7699 176.0719 42 L 5.0172 8.9472 127.1465 53.3833 44.0433 176.1561 43 K 4.2470 8.6961 120.6561 55.6223 34.0407 176.7922 44 N 4.6052 8.7935 119.3257 54.5718 37.3129 172.9412 45 N 4.7232 7.6582 133.1532 53.8779 40.2005 173.3127 46 N 5.2084 8.0203 113.5212 51.5441 41.9180 171.8473 47 R 4.5919 7.9485 113.5722 56.9180 32.6315 175.2354 48 Q 5.1705 8.1937 119.9335 54.7721 33.7838 174.9689 49 V 4.6424 8.7868 113.9548 59.9546 36.7837 173.3228 50 C 5.1411 9.4726 123.1746 55.2974 45.3586 172.5538 51 I 5.1018 8.8823 127.6670 59.4659 39.5786 175.2224 52 D 4.2966 8.8923 125.8393 53.0769 41.8069 174.1527 53 P 4.5170 0.0000 0.0000 63.2817 31.7236 176.7427 54 K 4.4662 7.7079 115.8686 56.3830 33.7734 177.3497 55 L 4.0473 7.2149 120.0131 54.2037 43.1114 177.7690 56 K 3.9470 8.6811 124.0807 59.4621 32.2222 179.1350 57 W 4.4084 8.1464 116.4020 59.3057 28.1809 178.4746 58 I 3.2478 6.7464 120.4374 64.0343 36.5202 178.0236 59 Q 3.9245 8.2469 119.2254 59.1246 28.5611 178.7524 60 E 3.9759 8.5686 119.8929 59.5290 29.4859 178.8299 61 Y 3.9858 8.0381 119.4344 60.6658 38.7826 177.9271 62 L 3.9739 8.4570 120.2084 58.1738 41.5894 179.4521 63 E 4.0485 8.1546 116.9039 59.4879 29.7126 179.3688 64 K 4.1032 8.2649 118.4344 59.1490 31.9287 178.9259 65 C 3.9868 7.7077 118.4194 62.1334 31.4034 174.9161 66 L 4.2962 6.9709 118.7570 57.1108 41.5453 176.7763 67 N 4.4151 7.7794 112.8891 53.3375 40.4759 174.1460 68 K 4.0825 8.3303 123.8586 57.2278 32.1205 175.7744 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 K 8.31 4.25 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 2 P 0.00 4.18 0.00 2.12 2.00 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 3 V 8.85 4.46 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 0.88 0.00 0.00 0.90 0.00 0.00 4 S 8.26 4.43 0.00 3.81 3.76 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 5 L 7.80 4.34 0.00 1.48 1.54 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.58 4.22 0.00 4.00 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 7 Y 8.19 4.25 0.00 3.01 2.97 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 8 R 8.40 4.51 0.00 1.69 1.78 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 9 C 8.63 4.91 0.00 2.99 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 10 P 0.00 4.17 0.00 2.19 2.20 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.00 0.00 11 C 8.35 4.63 0.00 3.07 3.43 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 12 R 8.50 3.86 0.00 1.73 1.96 0.00 3.29 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.39 0.00 13 F 7.89 4.99 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 14 F 7.95 5.21 0.00 3.12 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 15 E 9.96 4.41 0.00 2.18 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 2.39 2.35 0.00 16 S 8.69 5.03 0.00 4.05 4.19 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 17 H 9.14 4.14 0.00 3.39 3.54 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.32 3.81 2.25 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 1.15 0.00 0.00 1.03 0.00 0.00 19 A 8.37 4.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.37 0.00 0.67 1.25 0.00 2.46 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.00 21 A 7.70 4.00 1.20 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 0.00 0.00 22 N 7.97 4.70 0.00 2.78 2.94 0.00 0.00 6.72 7.91 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 23 V 7.25 4.45 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 0.71 0.00 0.00 1.09 0.00 0.00 24 K 8.76 4.36 0.00 1.60 1.71 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 25 H 7.69 4.69 0.00 3.22 3.38 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.63 5.09 0.00 1.50 1.58 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.38 4.48 0.00 1.73 1.72 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.36 7.81 28 I 8.39 4.79 1.87 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 1.38 0.73 0.92 0.00 0.00 29 L 9.02 4.43 0.00 1.50 1.63 0.92 1.07 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 30 N 8.70 4.69 0.00 2.74 2.79 0.00 0.00 7.36 7.77 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 31 T 8.37 4.35 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 1.27 0.00 0.00 32 P 0.00 4.19 0.00 2.49 2.37 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 33 N 8.24 4.56 0.00 2.80 2.97 0.00 0.00 6.20 7.44 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 34 C 7.98 5.01 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.08 4.09 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 36 C 8.47 4.17 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 4.51 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 38 I 8.31 4.98 1.78 0.00 0.00 0.75 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 0.81 0.89 0.00 0.00 39 V 9.20 4.82 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 1.04 0.00 0.00 0.95 0.00 0.00 40 A 9.21 5.12 1.30 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 0.00 0.00 41 R 8.92 4.83 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 42 L 8.95 5.02 0.00 1.62 1.69 0.98 1.16 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 43 K 8.70 4.25 0.00 1.68 1.74 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 44 N 8.79 4.61 0.00 2.66 2.77 0.00 0.00 6.73 7.79 0.00 0.00 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 N 7.66 4.72 0.00 2.71 2.79 0.00 0.00 7.01 7.78 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 46 N 8.02 5.21 0.00 2.71 2.72 0.00 0.00 6.85 7.81 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 47 R 7.95 4.59 0.00 1.77 1.72 0.00 3.13 0.00 0.00 3.35 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 48 Q 8.19 5.17 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 49 V 8.79 4.64 2.41 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 0.70 0.00 0.00 1.00 0.00 0.00 50 C 9.47 5.14 0.00 3.07 3.08 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 51 I 8.88 5.10 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.03 0.79 0.00 0.00 52 D 8.89 4.30 0.00 3.15 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 53 P 0.00 4.52 0.00 2.10 1.98 0.00 3.47 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 1.81 2.12 0.00 54 K 7.71 4.47 0.00 1.96 1.80 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.25 7.81 55 L 7.21 4.05 0.00 1.30 1.25 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.68 3.95 0.00 1.85 1.89 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.54 7.81 57 W 8.15 4.41 0.00 3.66 3.31 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 58 I 6.75 3.25 1.60 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.28 0.68 0.00 0.00 59 Q 8.25 3.92 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 60 E 8.57 3.98 0.00 2.12 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 0.00 2.54 2.54 0.00 61 Y 8.04 3.99 0.00 3.47 3.15 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 0.00 0.00 0.00 0.00 62 L 8.46 3.97 0.00 1.87 1.71 0.88 0.99 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 63 E 8.15 4.05 0.00 2.08 2.01 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 2.34 2.55 0.00 64 K 8.26 4.10 0.00 1.60 1.77 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.56 7.81 65 C 7.71 3.99 0.00 2.83 3.08 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 66 L 6.97 4.30 0.00 1.80 1.73 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.78 4.42 0.00 2.61 2.66 0.00 0.00 7.03 7.16 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 68 K 8.33 4.08 0.00 1.83 1.73 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.65 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.32 1.36 7.81