NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1776 8.3101 121.7898 54.6806 34.5171 176.0492 20 A 4.2343 7.4447 128.4103 48.9278 18.3464 172.0327 21 K 3.8209 8.4403 119.3884 56.1258 33.3214 176.0874 22 V 3.5358 8.5864 125.1269 65.7675 31.5600 178.1603 23 K 4.1997 7.6648 118.1940 58.7208 32.3873 177.6458 24 A 4.2234 8.4468 122.4442 55.0296 18.6832 179.9157 25 T 4.0485 7.2625 107.2410 63.9366 67.8206 173.4798 26 L 4.3746 8.5794 121.6778 54.0465 46.2139 174.7626 27 G 4.3578 7.9363 108.8572 43.9126 0.0000 172.1898 28 E 4.0959 8.8827 119.7965 57.0916 29.7344 176.5097 29 F 4.9850 8.5073 117.4172 55.1864 40.9537 173.1863 30 D 4.4693 8.6236 122.4189 53.4765 41.8775 176.4709 31 L 4.8737 7.9897 127.5555 55.5858 40.9605 177.2095 32 R 4.3781 8.6101 119.1621 58.1549 31.8594 174.4702 33 D 4.3042 8.1245 117.5573 54.1164 39.1677 175.6493 34 Y 4.1580 8.1055 121.1603 58.0863 38.2203 177.4849 35 R 4.3783 7.8955 120.1177 57.9301 31.8206 177.4474 36 N 4.7261 7.3521 117.0440 51.8164 34.8425 175.4195 37 V 3.5500 7.9525 119.1836 65.5371 31.7890 177.3054 38 E 3.9231 8.2096 116.7745 59.6960 29.4506 179.4854 39 V 3.5287 7.9616 117.7697 65.8549 31.7290 177.6929 40 L 4.0537 7.3554 115.4275 58.3650 41.4078 179.7962 41 K 4.0025 9.5075 117.4414 58.9251 32.1840 175.9500 42 R 4.4511 7.1722 118.4272 56.5121 29.0800 175.7378 43 F 5.4230 8.1407 112.2216 55.8640 40.0015 176.0616 44 L 4.5131 8.4464 121.1085 55.3646 43.4838 178.7749 45 S 3.1932 7.1876 116.1321 56.9876 66.0142 173.0568 46 E 5.0756 7.4256 130.5989 55.9077 31.8904 177.6062 47 T 4.5868 7.3381 114.1172 62.3358 68.7115 175.4530 48 G 3.9755 8.3987 111.6872 45.3140 0.0000 173.5047 49 K 3.7263 8.0136 118.5562 56.6946 31.8671 173.7607 50 I 4.1431 8.6706 127.0402 60.8742 36.6129 174.6597 51 L 3.7560 7.6749 122.6394 51.9609 42.7723 175.5278 52 P 4.6158 0.0000 0.0000 61.6814 32.2579 177.0988 53 R 3.8506 8.7132 119.7538 59.9587 30.1010 179.2196 54 R 4.1565 7.9069 111.8223 56.8111 29.7193 176.0160 55 R 4.7552 9.5694 120.1946 57.7329 37.7400 177.5402 56 T 3.8449 7.9410 108.1033 62.7047 68.6297 175.4951 57 G 4.0465 7.7568 108.6258 46.0624 0.0000 174.7467 58 L 4.3680 7.7909 120.1952 54.0098 42.8616 176.0126 59 S 4.7033 8.0250 111.8159 57.3918 66.5086 175.0653 60 A 3.1113 7.8893 116.4379 53.3740 19.7517 178.5264 61 K 3.9333 9.1080 118.3840 58.7513 33.1415 177.9969 62 E 3.8510 8.3012 117.4951 59.6792 29.3044 178.9619 63 Q 3.8820 9.1447 120.0667 59.3612 28.8782 178.5847 64 R 4.1065 7.9747 119.6522 58.1815 30.2104 178.2090 65 I 3.6150 7.5928 112.0774 64.6366 37.4049 176.9471 66 L 3.8404 7.6256 121.5295 58.0848 41.7188 178.6482 67 A 3.9171 7.6494 119.3901 55.3307 18.3345 179.2024 68 K 3.7828 8.2545 118.4483 59.9164 31.3772 178.7207 69 T 4.0238 8.2543 109.6416 64.6915 69.0389 176.7167 70 I 3.7504 8.0695 124.0128 64.2138 37.1899 177.6203 71 K 3.7060 8.4572 118.8283 59.9203 31.9544 178.9673 72 R 3.8376 7.8824 117.3517 59.5434 29.9624 178.9677 73 A 4.0169 9.0360 118.8948 55.3392 18.4988 179.3281 74 R 4.1256 8.8744 116.7868 58.6350 30.2321 179.1217 75 I 4.0866 7.5543 119.3203 64.2855 37.4130 178.0036 76 L 4.1762 7.6991 116.7398 55.1335 41.0159 179.3165 77 G 4.1102 8.0148 106.9739 45.8352 0.0000 175.1219 78 L 4.1011 7.6961 119.1064 57.0557 42.1674 177.5091 79 L 4.7835 7.5813 116.8500 52.0169 44.3332 173.7356 80 P 4.8846 0.0000 0.0000 62.1058 32.6926 176.2312 81 F 4.2043 8.8374 118.9634 60.3685 39.3534 175.1879 82 T 4.7355 7.3427 111.4626 61.9341 70.0282 171.7054 83 E 4.8156 8.1815 116.2712 55.2528 31.3207 176.1890 84 K 4.0821 8.7736 121.9411 56.4460 32.8136 176.2720 85 L 4.2789 8.1740 122.4044 54.5415 42.9211 176.0550 86 V 4.1063 8.0959 123.4598 61.7711 33.2336 172.9366 87 R 3.5302 8.5971 130.0509 56.3445 29.1710 175.4964 88 K 4.1490 8.5349 124.4896 56.5171 32.2178 176.0237 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 19 K 8.31 4.18 0.00 1.72 1.77 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.44 4.23 1.27 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 0.00 0.00 0.00 21 K 8.44 3.82 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.42 7.81 22 V 8.59 3.54 2.27 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 1.18 0.00 0.00 1.06 0.00 0.00 23 K 7.66 4.20 0.00 2.10 1.88 0.00 2.04 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 24 A 8.45 4.22 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 25 T 7.26 4.05 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 1.12 0.00 0.00 26 L 8.58 4.37 0.00 1.05 1.09 0.03 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.94 4.36 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 0.00 28 E 8.88 4.10 0.00 2.02 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 2.36 2.37 0.00 29 F 8.51 4.99 0.00 3.12 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 30 D 8.62 4.47 0.00 2.62 2.58 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 0.00 0.00 0.00 0.00 31 L 7.99 4.87 0.00 1.76 1.28 0.82 0.32 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 32 R 8.61 4.38 0.00 1.65 2.08 0.00 3.34 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 33 D 8.12 4.30 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 4.16 0.00 3.10 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 35 R 7.90 4.38 0.00 1.69 1.92 0.00 3.13 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 36 N 7.35 4.73 0.00 3.13 2.96 0.00 0.00 6.94 7.55 0.00 0.00 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 V 7.95 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 0.98 0.00 0.00 0.92 0.00 0.00 38 E 8.21 3.92 0.00 1.89 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 2.30 2.32 0.00 39 V 7.96 3.53 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 1.01 0.00 0.00 1.00 0.00 0.00 40 L 7.36 4.05 0.00 1.93 1.82 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.51 4.00 0.00 1.85 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 R 7.17 4.45 0.00 1.48 1.41 0.00 3.07 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 43 F 8.14 5.42 0.00 3.31 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.51 0.00 1.60 1.61 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.19 3.19 0.00 3.99 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 46 E 7.43 5.08 0.00 1.93 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 2.04 2.08 0.00 47 T 7.34 4.59 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 48 G 8.40 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 0.00 0.00 0.00 49 K 8.01 3.73 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.52 7.81 50 I 8.67 4.14 1.87 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 0.73 0.89 0.00 0.00 51 L 7.67 3.76 0.00 1.73 1.59 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.62 0.00 2.21 2.16 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 53 R 8.71 3.85 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 54 R 7.91 4.16 0.00 1.80 1.96 0.00 3.24 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 1.66 0.00 55 R 9.57 4.76 0.00 1.92 1.91 0.00 3.32 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 56 T 7.94 3.84 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 1.11 0.00 0.00 57 G 7.76 4.05 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 0.00 0.00 0.00 58 L 7.79 4.37 0.00 1.57 1.63 0.66 1.06 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 59 S 8.03 4.70 0.00 3.92 3.90 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 60 A 7.89 3.11 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 61 K 9.11 3.93 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 62 E 8.30 3.85 0.00 2.24 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 2.37 2.36 0.00 63 Q 9.14 3.88 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 64 R 7.97 4.11 0.00 2.09 1.87 0.00 3.21 0.00 0.00 3.21 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 65 I 7.59 3.62 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.72 0.89 0.00 0.00 66 L 7.63 3.84 0.00 1.62 1.76 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.65 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.78 0.00 1.85 1.97 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 69 T 8.25 4.02 4.39 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 1.35 0.00 0.00 70 I 8.07 3.75 1.98 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 1.62 1.10 0.91 0.00 0.00 71 K 8.46 3.71 0.00 1.94 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 72 R 7.88 3.84 0.00 1.91 1.84 0.00 3.08 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 73 A 9.04 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.87 4.13 0.00 1.64 0.79 0.00 2.91 0.00 0.00 2.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.29 0.00 75 I 7.55 4.09 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 0.94 0.00 0.00 76 L 7.70 4.18 0.00 1.86 1.74 0.93 0.95 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 77 G 8.01 4.11 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 0.00 0.00 0.00 78 L 7.70 4.10 0.00 1.70 1.78 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.58 4.78 0.00 1.69 1.46 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.88 0.00 2.36 2.06 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 81 F 8.84 4.20 0.00 3.06 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 82 T 7.34 4.74 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 1.28 0.00 0.00 83 E 8.18 4.82 0.00 2.15 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 2.16 2.27 0.00 84 K 8.77 4.08 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.17 4.28 0.00 1.59 1.56 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.10 4.11 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 0.86 0.00 0.00 0.94 0.00 0.00 87 R 8.60 3.53 0.00 1.95 1.90 0.00 3.28 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 88 K 8.53 4.15 0.00 1.75 1.66 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81