NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1500 8.1731 122.4931 55.8886 43.0156 173.5648 2 G 3.3394 8.7834 104.3842 46.2016 0.0000 171.3810 3 A 4.0267 8.4307 133.0228 53.1166 17.4021 178.3833 4 S 4.2068 8.3486 116.7864 62.0709 62.7844 175.9358 5 W 4.5747 8.4793 116.4082 59.6042 27.7067 176.9156 6 H 2.6196 7.5551 115.6473 56.9719 28.0716 175.0677 7 R 4.2383 7.8221 120.3814 53.8554 29.4432 174.2735 8 P 4.5099 0.0000 0.0000 61.6020 30.4466 176.3962 9 D 4.7029 8.0272 131.2765 55.0426 39.2448 176.5332 10 K 4.2922 7.6656 117.9772 58.2876 33.6665 179.1346 11 C 4.6527 7.9842 118.0590 56.2108 38.7591 174.8262 12 C 3.8475 7.8647 115.2371 57.2062 40.5027 175.1351 13 L 3.8784 8.6896 125.3623 56.7198 41.5053 177.4807 14 G 4.0888 7.5116 104.7313 43.6646 0.0000 171.1729 15 Y 4.9003 7.9396 116.4331 55.5455 41.3275 176.2335 16 Q 4.0146 9.5635 123.5580 59.5927 29.0161 178.6743 17 K 4.3932 8.9603 115.9491 55.9070 31.7943 175.9104 18 R 4.4189 7.2592 115.3859 53.4029 33.4357 172.9790 19 P 2.0000 0.0000 0.0000 61.2602 31.6419 175.9099 20 L 4.2436 6.7814 123.4531 52.4024 42.9074 174.4738 21 P 4.4725 0.0000 0.0000 62.3495 32.2536 176.7482 22 Q 4.3530 8.6575 121.9323 56.9323 29.2976 177.7265 23 V 3.7069 7.7982 116.6622 64.4906 31.5907 176.5297 24 L 4.6819 7.6784 116.9314 54.8112 41.3013 176.1095 25 L 4.5872 7.4897 121.6504 55.1463 42.2465 173.9750 26 S 4.7034 8.1271 112.9400 59.2248 64.0608 176.1033 27 S 4.8138 8.2703 115.3318 58.1875 67.8012 172.0471 28 W 5.0347 7.8363 116.0546 56.2545 31.0909 173.0907 29 Y 5.0202 8.4757 121.3081 54.4516 40.3435 173.1440 30 P 4.8155 0.0000 0.0000 63.0054 32.8799 175.8446 31 T 4.5835 7.9076 117.2963 60.9978 69.3263 173.9805 32 S 4.4420 8.6002 118.7438 58.6673 63.3957 174.0644 33 Q 4.4131 8.3829 120.8370 56.5789 29.7254 175.1239 34 L 4.5150 7.5972 117.6773 55.8257 40.4372 176.6358 35 C 5.1492 7.6263 114.5825 54.7979 44.1397 175.7982 36 S 4.1530 8.7044 116.0555 61.2062 62.5011 174.7012 37 K 4.5944 6.9491 113.0541 55.8335 33.9858 172.3754 38 P 4.7720 0.0000 0.0000 63.2266 34.1835 175.3817 39 G 4.7867 8.2295 106.3890 45.1961 0.0000 175.3318 40 V 4.6066 9.3353 125.1705 61.4282 35.2618 171.2411 41 I 4.9329 7.6994 128.2232 59.9672 39.5794 174.4355 42 F 4.9762 9.7588 125.3056 55.9947 41.2885 174.9514 43 L 4.9857 8.5771 125.1073 53.0406 41.8821 176.3329 44 T 4.0989 8.6262 114.5978 61.9702 69.0313 174.5612 45 K 4.1607 9.0348 122.4021 59.3220 31.9170 178.2858 46 R 4.6941 8.0212 113.9830 55.4295 33.2532 174.9755 47 G 3.9980 8.2877 109.5267 46.7295 0.0000 176.3383 48 R 4.6744 6.9333 127.8805 55.3625 35.0294 173.5191 49 Q 5.1216 8.7050 118.0247 56.0917 30.3452 176.3371 50 V 4.4827 8.8946 121.6910 61.5315 34.9892 173.6481 51 C 5.1674 9.0955 126.1235 57.0667 39.6738 172.7298 52 A 5.2578 10.0592 125.0673 50.7968 23.4253 174.2907 53 D 4.6614 7.7416 118.6384 51.9405 42.5404 177.6072 54 K 3.5106 8.7636 123.8812 59.9223 32.4612 178.0243 55 S 4.0288 7.8152 114.5124 61.2621 62.9139 174.8731 56 K 3.9434 7.9217 118.7907 56.9397 32.2339 175.3510 57 D 4.6280 8.3294 116.4236 56.6774 42.2392 178.8745 58 W 4.1974 7.8415 116.4447 59.3544 28.1066 178.2405 59 V 2.7232 6.0088 118.5411 64.7586 30.6434 177.8602 60 K 3.6790 7.2839 119.2882 59.0592 32.2178 178.4123 61 K 3.8555 7.7354 119.6628 59.5208 31.5936 178.5009 62 L 4.0325 7.6677 118.6952 58.2961 41.3562 179.1852 63 M 3.5836 7.2631 117.1962 58.6721 31.9052 178.5461 64 Q 4.2674 7.5672 116.6200 58.5407 29.1025 178.1284 65 Q 4.2412 8.5666 119.0012 56.9194 29.0554 176.1588 66 L 5.0613 8.6473 118.6791 51.8983 45.4380 174.0351 67 P 4.2518 0.0000 0.0000 62.9045 30.6543 177.4055 68 V 3.1514 7.3974 116.7099 60.2272 33.1775 172.3962 69 T 3.7029 7.7039 112.7980 61.6551 67.8019 174.1215 70 A 4.4239 7.7091 130.0618 50.9307 20.3364 175.6493 71 R 4.0806 8.2406 120.8727 57.9618 30.1200 174.2568 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 L 8.17 4.15 0.00 1.64 1.71 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.78 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.43 4.03 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.35 4.21 0.00 3.92 3.96 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 0.00 0.00 0.00 5 W 8.48 4.57 0.00 3.63 3.23 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 6 H 7.56 2.62 0.00 2.98 3.06 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.82 4.24 0.00 1.64 1.95 0.00 3.25 0.00 0.00 3.51 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 8 P 0.00 4.51 0.00 2.22 2.04 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 9 D 8.03 4.70 0.00 2.66 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 10 K 7.67 4.29 0.00 1.95 2.13 0.00 1.90 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.52 1.69 7.81 11 C 7.98 4.65 0.00 2.97 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 12 C 7.86 3.85 0.00 2.78 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 13 L 8.69 3.88 0.00 1.56 1.68 0.90 0.88 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 14 G 7.51 4.09 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 0.00 0.00 0.00 15 Y 7.94 4.90 0.00 3.07 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 16 Q 9.56 4.01 0.00 2.33 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.58 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 17 K 8.96 4.39 0.00 2.13 2.14 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.51 7.81 18 R 7.26 4.42 0.00 1.51 1.55 0.00 3.19 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 19 P 0.00 2.00 0.00 1.85 1.50 0.00 3.41 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 20 L 6.78 4.24 0.00 1.51 1.47 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.47 0.00 2.20 2.13 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 22 Q 8.66 4.35 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 23 V 7.80 3.71 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 0.94 0.00 0.00 0.94 0.00 0.00 24 L 7.68 4.68 0.00 1.83 1.89 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.49 4.59 0.00 1.66 1.76 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.13 4.70 0.00 4.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.81 0.00 3.68 3.59 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 28 W 7.84 5.03 0.00 2.29 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 5.02 0.00 3.01 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 30 P 0.00 4.82 0.00 2.20 2.27 0.00 3.86 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 31 T 7.91 4.58 4.44 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 1.28 0.00 0.00 32 S 8.60 4.44 0.00 3.93 3.82 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 33 Q 8.38 4.41 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.69 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 34 L 7.60 4.52 0.00 1.68 1.65 0.93 0.84 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 35 C 7.63 5.15 0.00 3.04 2.94 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 36 S 8.70 4.15 0.00 3.83 3.91 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 37 K 6.95 4.59 0.00 1.98 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.31 7.81 38 P 0.00 4.77 0.00 2.31 2.14 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 39 G 8.23 4.79 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 0.00 0.00 0.00 40 V 9.34 4.61 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 0.98 0.00 0.00 0.91 0.00 0.00 41 I 7.70 4.93 0.69 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 1.32 0.38 1.13 0.00 0.00 42 F 9.76 4.98 0.00 3.22 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 43 L 8.58 4.99 0.00 1.71 1.75 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.63 4.10 4.44 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 1.33 0.00 0.00 45 K 9.03 4.16 0.00 1.77 1.96 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.60 7.81 46 R 8.02 4.69 0.00 1.73 1.87 0.00 3.25 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 47 G 8.29 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 0.00 0.00 0.00 0.00 48 R 6.93 4.67 0.00 1.77 1.88 0.00 3.15 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 49 Q 8.70 5.12 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 50 V 8.89 4.48 2.33 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 1.17 0.00 0.00 1.08 0.00 0.00 51 C 9.10 5.17 0.00 2.97 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 52 A 10.06 5.26 1.12 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 0.00 0.00 0.00 0.00 0.00 53 D 7.74 4.66 0.00 1.58 2.06 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 54 K 8.76 3.51 0.00 1.62 1.71 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.34 7.81 55 S 7.82 4.03 0.00 3.67 3.82 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 56 K 7.92 3.94 0.00 0.93 1.31 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.18 1.15 7.81 57 D 8.33 4.63 0.00 2.79 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 58 W 7.84 4.20 0.00 3.57 3.28 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 59 V 6.01 2.72 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 0.62 0.00 0.00 -1.68 0.00 0.00 60 K 7.28 3.68 0.00 1.93 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.32 7.81 61 K 7.74 3.86 0.00 1.89 1.80 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 62 L 7.67 4.03 0.00 1.83 1.94 0.53 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.26 3.58 0.00 1.52 2.09 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.06 0.00 64 Q 7.57 4.27 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 65 Q 8.57 4.24 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 66 L 8.65 5.06 0.00 2.18 1.91 1.41 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.25 0.00 2.09 1.93 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 68 V 7.40 3.15 1.33 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 0.44 0.00 0.00 -1.04 0.00 0.00 69 T 7.70 3.70 4.18 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 1.20 0.00 0.00 70 A 7.71 4.42 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.24 4.08 0.00 1.65 1.68 0.00 3.29 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00