NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.9825 8.1200 121.1854 56.5060 34.4917 177.6192 3 L 3.8197 7.8236 120.3040 56.8899 41.7011 176.8855 4 S 4.0877 8.9149 114.1191 61.4656 62.7218 175.3334 5 E 3.9828 8.1679 120.4895 60.0303 29.2874 178.6851 6 V 3.5047 7.5417 117.3574 66.1974 31.2653 177.7550 7 R 3.9027 8.4515 115.0919 59.7598 29.1454 178.8992 8 K 4.6013 7.7703 119.8349 58.7346 31.9841 178.9378 9 Q 3.9873 8.0086 118.4585 59.9972 28.5271 178.8201 10 L 3.9146 8.7824 117.8938 57.7937 41.2828 180.8367 11 E 3.2088 8.2355 113.7819 57.2805 30.1095 178.9526 12 E 3.9459 7.9693 122.8561 60.0726 30.4794 179.2552 13 A 4.1218 8.3227 120.6588 55.2087 18.2486 179.6001 14 R 3.8852 9.3356 115.7841 58.1492 30.5356 177.3237 15 K 4.6427 7.6323 117.5206 56.7387 32.7831 176.4751 16 L 4.4484 8.1289 117.1921 54.9268 42.9025 175.8122 17 S 4.2497 8.0360 115.8848 57.6070 63.2595 168.5451 18 P 4.1770 0.0000 0.0000 66.1045 30.9802 178.5466 19 V 3.5154 7.8541 118.6385 65.4948 31.2854 177.5360 20 E 4.0097 8.0973 117.9990 59.2696 29.4105 178.2720 21 L 3.9784 8.1091 118.2452 58.6181 42.1091 178.5653 22 E 3.8264 8.9726 117.5501 59.5780 29.3451 179.5684 23 K 3.9531 8.0541 116.0604 59.7543 32.4987 178.4351 24 L 4.3306 7.9280 121.5794 57.8672 41.8843 179.5595 25 V 3.5785 7.7079 117.2518 66.1125 31.2764 177.8488 26 R 3.9082 8.0986 116.1177 60.1662 29.9798 177.9583 27 E 4.0189 8.1109 117.7710 58.7508 29.1452 179.1186 28 K 4.0049 8.5093 119.2459 59.6600 32.4604 179.3487 29 K 4.1415 8.2349 119.0292 58.8496 31.9973 179.2509 30 R 3.8369 8.4205 119.4666 59.5572 30.1426 178.0678 31 E 3.9069 8.2912 117.9295 59.6796 29.3387 179.0960 32 L 3.8896 7.6356 118.4879 58.3663 42.3479 178.3334 33 M 4.0073 7.9731 117.8048 58.9504 32.0990 177.9453 34 E 3.8755 8.4286 118.9921 59.5095 29.7975 178.5768 35 L 4.0467 8.4244 119.2503 58.0621 41.5742 180.0798 36 R 3.9528 8.3419 118.1232 59.2274 30.2090 178.8816 37 F 4.0073 8.5016 117.1609 60.8279 38.7238 177.8078 38 Q 4.0933 8.1582 116.1712 58.6635 28.7362 178.4745 39 A 4.3056 8.0636 123.2960 54.1965 18.5427 179.7623 40 S 4.0692 8.5714 111.6158 61.0510 63.0994 174.9826 41 I 4.2315 7.7091 112.7762 59.9923 38.0745 177.8065 42 G 3.4798 7.2853 109.3339 48.4304 0.0000 175.4322 43 Q 2.6928 9.3384 115.9174 57.2869 26.5698 171.3616 44 L 3.3523 9.2740 132.3246 54.7466 41.0484 172.2123 45 S 4.3281 7.9865 114.4866 57.2244 62.8187 172.2155 46 Q 4.3953 8.4307 126.2436 54.5464 30.7885 178.9233 47 N 3.7694 9.4650 121.4503 54.2099 39.8065 177.7214 48 H 4.0796 8.7545 126.7529 58.5130 30.1600 176.9524 49 K 3.6406 7.8716 120.2619 59.7956 31.6536 177.8193 50 I 4.0486 9.1282 120.8170 62.4300 37.2287 177.9114 51 R 3.8835 7.9173 117.0875 59.8990 29.2560 178.5376 52 D 4.2806 8.1117 119.3374 57.2988 40.7772 178.3741 53 L 3.9767 7.3410 120.4612 57.9265 41.5460 178.9246 54 K 3.9333 8.3706 118.8405 59.7663 32.1117 179.3577 55 R 3.9429 8.1700 118.0398 59.4550 29.8896 178.6781 56 Q 3.9384 8.0834 117.2674 59.6446 28.6818 179.3813 57 I 3.5762 7.6062 119.7506 65.2313 37.0018 177.2784 58 A 3.8720 7.9893 119.1763 55.7835 18.0234 179.6230 59 R 3.9473 8.2768 115.2603 58.7739 30.4352 179.3126 60 L 3.9571 8.1431 118.6621 57.8176 41.6629 179.4289 61 L 3.9481 8.5519 119.4080 58.1989 41.5130 179.4547 62 T 3.8527 9.8687 115.2521 66.9060 68.3148 176.6745 63 V 4.0122 7.8687 121.1123 65.4908 31.6985 177.6096 64 L 3.8780 8.5086 120.5045 58.3443 41.6007 178.9098 65 N 4.3464 8.4315 116.5459 56.1177 38.6470 177.0626 66 E 4.0080 8.2396 118.9351 60.2416 28.9098 178.4819 67 K 4.1867 8.8511 120.3854 57.7747 32.0341 179.8653 68 R 3.7675 8.1549 117.5740 59.1903 30.9766 179.4338 69 R 4.5928 7.7037 117.5336 54.6079 28.3782 177.5384 70 Q 5.6593 6.3539 127.3030 56.9495 30.6288 173.7387 71 N 5.0060 7.7225 117.3715 52.4310 40.7105 174.2073 72 A 4.1099 8.8023 123.8975 53.8292 18.8305 176.9096 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 2 K 8.12 4.98 0.00 1.86 1.88 0.00 1.98 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.82 3.82 0.00 1.84 1.64 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.91 4.09 0.00 3.93 3.86 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 5 E 8.17 3.98 0.00 2.15 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 2.41 2.38 0.00 6 V 7.54 3.50 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 1.05 0.00 0.00 0.99 0.00 0.00 7 R 8.45 3.90 0.00 2.08 2.22 0.00 2.83 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 8 K 7.77 4.60 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.54 7.81 9 Q 8.01 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 10 L 8.78 3.91 0.00 1.87 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.24 3.21 0.00 2.23 1.78 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 2.32 2.62 0.00 12 E 7.97 3.95 0.00 1.95 2.04 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 2.35 2.35 0.00 13 A 8.32 4.12 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 14 R 9.34 3.89 0.00 2.03 2.04 0.00 3.28 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 15 K 7.63 4.64 0.00 1.77 1.84 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.44 7.81 16 L 8.13 4.45 0.00 1.68 1.71 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.04 4.25 0.00 4.04 3.87 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 18 P 0.00 4.18 0.00 2.30 2.29 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 19 V 7.85 3.52 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 1.02 0.00 0.00 0.93 0.00 0.00 20 E 8.10 4.01 0.00 2.12 2.19 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 2.37 2.46 0.00 21 L 8.11 3.98 0.00 1.90 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.97 3.83 0.00 2.12 1.93 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 2.41 2.53 0.00 23 K 8.05 3.95 0.00 2.18 1.87 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 L 7.93 4.33 0.00 1.77 1.91 1.01 0.80 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 25 V 7.71 3.58 2.18 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 1.06 0.00 0.00 0.93 0.00 0.00 26 R 8.10 3.91 0.00 1.99 2.01 0.00 3.27 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 27 E 8.11 4.02 0.00 2.17 1.92 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 2.33 2.64 0.00 28 K 8.51 4.00 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.72 1.66 7.81 29 K 8.23 4.14 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.59 7.81 30 R 8.42 3.84 0.00 1.82 2.06 0.00 3.11 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 31 E 8.29 3.91 0.00 2.19 2.02 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 2.41 2.40 0.00 32 L 7.64 3.89 0.00 1.90 1.88 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.97 4.01 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.17 0.00 34 E 8.43 3.88 0.00 2.06 2.17 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 2.28 2.39 0.00 35 L 8.42 4.05 0.00 1.91 1.76 0.92 0.96 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 R 8.34 3.95 0.00 2.16 1.92 0.00 3.11 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 1.66 1.88 0.00 37 F 8.50 4.01 0.00 3.19 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 38 Q 8.16 4.09 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 39 A 8.06 4.31 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 40 S 8.57 4.07 0.00 3.87 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 41 I 7.71 4.23 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.98 0.00 0.00 42 G 7.29 3.48 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 0.00 43 Q 9.34 2.69 0.00 2.15 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.07 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 44 L 9.27 3.35 0.00 1.80 1.69 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.99 4.33 0.00 4.10 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 0.00 46 Q 8.43 4.40 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 5.92 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 47 N 9.46 3.77 0.00 2.87 2.45 0.00 0.00 6.80 8.16 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 48 H 8.75 4.08 0.00 3.42 3.48 0.00 5.50 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.87 3.64 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.82 7.81 50 I 9.13 4.05 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 1.58 0.75 0.91 0.00 0.00 51 R 7.92 3.88 0.00 2.03 2.25 0.00 2.99 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 52 D 8.11 4.28 0.00 2.81 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 53 L 7.34 3.98 0.00 1.56 1.80 0.95 0.59 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 54 K 8.37 3.93 0.00 1.97 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.64 7.81 55 R 8.17 3.94 0.00 1.99 1.98 0.00 3.21 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 56 Q 8.08 3.94 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 57 I 7.61 3.58 1.98 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 1.77 1.16 0.91 0.00 0.00 58 A 7.99 3.87 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 59 R 8.28 3.95 0.00 2.11 2.03 0.00 3.14 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 60 L 8.14 3.96 0.00 1.81 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.55 3.95 0.00 1.78 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.87 3.85 4.38 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 1.21 0.00 0.00 63 V 7.87 4.01 2.24 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 1.47 0.00 0.00 1.02 0.00 0.00 64 L 8.51 3.88 0.00 1.84 1.68 1.00 0.92 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 65 N 8.43 4.35 0.00 2.97 2.83 0.00 0.00 6.64 7.65 0.00 0.00 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 E 8.24 4.01 0.00 2.20 2.24 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 2.47 2.34 0.00 67 K 8.85 4.19 0.00 2.01 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.62 7.81 68 R 8.15 3.77 0.00 1.83 1.95 0.00 3.29 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 69 R 7.70 4.59 0.00 1.78 1.93 0.00 3.29 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 70 Q 6.35 5.66 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.04 0.00 71 N 7.72 5.01 0.00 2.69 2.69 0.00 0.00 7.07 6.95 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 72 A 8.80 4.11 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