NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4358 8.3049 120.3516 55.0264 33.4338 175.0851 2 E 4.0711 8.6081 124.3429 55.9504 30.5260 174.7533 3 Q 4.7482 9.3421 121.8269 54.1764 33.2243 174.2272 4 R 5.2613 8.6499 121.7494 54.6123 33.4099 175.0646 5 I 4.8217 8.9261 122.1865 59.4495 42.0486 174.7693 6 T 4.4867 8.6708 118.4447 61.3339 69.6018 174.8560 7 L 3.9368 8.6752 124.5849 58.2067 41.9362 179.3489 8 K 3.9198 7.9760 119.0435 59.7225 32.2225 178.4032 9 D 4.3519 8.0935 118.9471 57.3494 40.6816 178.1436 10 Y 4.0602 8.3227 119.8766 60.7399 38.8135 177.7886 11 A 4.2254 8.4663 123.3268 54.8058 18.2238 179.1465 12 M 3.8762 7.8987 115.6576 58.9491 32.3769 178.1554 13 R 3.7829 7.6667 117.4011 58.2745 30.2989 177.3647 14 F 4.6299 7.9486 114.9814 55.7032 40.5495 177.0204 15 G 4.2008 8.2396 104.1412 46.0445 0.0000 174.5441 16 Q 4.3228 8.4048 117.4004 57.7636 28.8446 179.0126 17 T 3.9233 7.8226 117.3672 66.3893 68.8102 176.2853 18 K 3.9210 8.1102 120.8951 60.0679 31.8782 178.3703 19 T 4.1538 7.9837 115.1592 67.0522 68.4078 176.2705 20 A 4.1780 8.1111 122.3342 54.9829 18.1301 179.9414 21 K 3.9410 7.8986 116.2349 59.7530 32.2737 178.9011 22 D 4.5123 8.3656 118.0970 57.3380 40.9152 178.4270 23 L 4.3249 7.9453 116.7822 54.1912 42.3191 176.7260 24 G 3.7519 8.1786 106.7212 46.9975 0.0000 173.0294 25 V 4.2139 7.4303 111.7545 59.3265 35.6856 174.7701 26 Y 4.9692 7.8742 116.8226 57.4964 39.1513 176.9870 27 Q 4.1449 8.8737 121.9895 59.1266 28.6506 179.5099 28 S 4.1484 8.2320 114.7395 61.5208 63.0320 176.2153 29 A 4.1321 7.9888 124.6994 55.0780 18.1215 179.7004 30 I 3.9576 7.8342 117.7564 64.3545 37.3644 177.9857 31 N 4.4152 8.6523 118.4344 56.2186 38.7469 176.7577 32 K 3.8830 8.4626 121.2638 59.7615 32.3816 178.7141 33 A 4.1232 8.2406 120.7733 54.9815 18.3257 179.7592 34 I 3.6526 7.9499 118.6001 64.8264 37.0174 178.3225 35 H 4.0840 8.5881 116.2187 58.6639 28.6493 177.3624 36 A 4.2313 8.3728 121.4146 52.8162 18.1813 178.1837 37 G 3.8082 7.6208 104.7276 45.9485 0.0000 174.2791 38 R 4.0050 7.5513 117.9785 56.0023 31.0678 177.9121 39 K 4.3812 8.3090 121.8204 55.5177 30.4614 175.2794 40 I 4.9111 7.3447 122.6470 59.4002 40.0480 175.7704 41 F 5.2172 8.4804 121.2371 55.0769 41.6068 173.5751 42 L 5.0117 9.0105 121.0513 53.3868 44.5385 175.4349 43 T 5.0013 8.3396 111.9867 59.9314 71.7755 172.7374 44 I 4.7447 8.7353 124.8676 59.7458 39.5494 174.8623 45 N 5.0830 8.7926 123.2211 51.3252 40.8767 176.1904 46 A 4.0201 8.7199 124.1564 55.1540 18.6934 178.8313 47 D 4.3889 8.0026 113.8820 54.8658 39.6102 177.2915 48 G 3.9468 8.2834 108.6002 45.2685 0.0000 173.3460 49 S 4.5911 8.3373 116.3861 57.7254 64.3358 173.4109 50 V 5.0301 8.3890 123.2754 61.2904 34.1062 173.9622 51 Y 5.0679 8.4239 123.8876 55.4321 42.1960 173.5936 52 A 5.0677 8.6416 120.9833 50.4104 22.5901 175.0797 53 E 5.1099 8.5179 118.4617 54.7905 34.9176 174.1248 54 E 5.0974 10.6638 120.4939 54.6060 33.4804 174.4451 55 V 4.6391 8.5089 127.1059 62.0547 32.2482 175.2641 56 K 4.5042 9.5051 129.0051 56.5424 35.5708 175.2258 57 D 4.5493 9.7480 124.5238 55.6272 38.2863 174.7470 58 G 3.9474 8.6815 104.0027 45.6076 0.0000 172.6046 59 E 4.7832 8.1020 117.1841 54.6955 34.0677 174.2198 60 V 4.9456 8.4244 119.7155 61.2969 32.5202 174.5312 61 K 4.8681 9.3448 126.8765 54.1021 36.4941 173.8259 62 P 4.8575 0.0000 0.0000 62.4636 32.1797 176.0677 63 W 5.0004 8.5442 131.9167 55.2933 33.4736 173.4844 64 P 3.4416 0.0000 0.0000 61.9005 32.7914 176.0065 65 S 4.0847 7.4320 111.8400 58.1177 64.3259 172.4569 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 M 8.30 4.44 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 E 8.61 4.07 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 3 Q 9.34 4.75 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 4 R 8.65 5.26 0.00 1.65 1.91 0.00 2.85 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 5 I 8.93 4.82 1.98 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 1.49 1.48 1.14 0.00 0.00 6 T 8.67 4.49 4.27 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 1.24 0.00 0.00 7 L 8.68 3.94 0.00 1.61 1.64 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.98 3.92 0.00 1.84 1.79 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 9 D 8.09 4.35 0.00 2.94 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 10 Y 8.32 4.06 0.00 3.18 3.12 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 11 A 8.47 4.23 1.48 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 12 M 7.90 3.88 0.00 1.95 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 13 R 7.67 3.78 0.00 1.43 1.20 0.00 2.96 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 14 F 7.95 4.63 0.00 2.84 2.96 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 15 G 8.24 4.20 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 0.00 16 Q 8.40 4.32 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 17 T 7.82 3.92 4.30 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 1.26 0.00 0.00 18 K 8.11 3.92 0.00 2.13 1.93 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.62 7.81 19 T 7.98 4.15 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 20 A 8.11 4.18 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.94 0.00 2.07 1.89 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 22 D 8.37 4.51 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.32 0.00 1.67 1.73 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.18 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.43 4.21 1.80 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 0.48 0.00 0.00 0.95 0.00 0.00 26 Y 7.87 4.97 0.00 3.10 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.87 4.14 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 28 S 8.23 4.15 0.00 4.10 4.16 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 29 A 7.99 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.96 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 1.00 0.00 0.00 31 N 8.65 4.42 0.00 2.82 2.87 0.00 0.00 6.77 7.62 0.00 0.00 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 K 8.46 3.88 0.00 2.28 1.96 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.54 7.81 33 A 8.24 4.12 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 34 I 7.95 3.65 2.00 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 1.47 1.30 0.83 0.00 0.00 35 H 8.59 4.08 0.00 3.21 3.40 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.37 4.23 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 37 G 7.62 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.55 4.00 0.00 1.63 1.93 0.00 3.18 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 39 K 8.31 4.38 0.00 1.90 1.80 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.53 7.81 40 I 7.34 4.91 1.47 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.27 0.46 0.00 0.00 41 F 8.48 5.22 0.00 3.07 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 42 L 9.01 5.01 0.00 1.43 1.31 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.34 5.00 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 1.16 0.00 0.00 44 I 8.74 4.74 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.97 0.00 0.00 45 N 8.79 5.08 0.00 2.93 2.88 0.00 0.00 6.63 6.54 0.00 0.00 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 A 8.72 4.02 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 47 D 8.00 4.39 0.00 2.79 2.83 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 48 G 8.28 3.95 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 0.00 0.00 0.00 49 S 8.34 4.59 0.00 3.99 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 50 V 8.39 5.03 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 0.54 0.00 0.00 0.89 0.00 0.00 51 Y 8.42 5.07 0.00 3.10 2.91 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 52 A 8.64 5.07 1.36 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 53 E 8.52 5.11 0.00 1.16 1.84 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 2.25 2.14 0.00 54 E 10.66 5.10 0.00 1.98 1.80 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 2.23 2.33 0.00 55 V 8.51 4.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.04 0.00 0.00 56 K 9.51 4.50 0.00 1.78 1.61 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.44 7.81 57 D 9.75 4.55 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 3.95 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 0.00 0.00 0.00 59 E 8.10 4.78 0.00 2.03 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 2.30 2.29 0.00 60 V 8.42 4.95 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 1.13 0.00 0.00 1.00 0.00 0.00 61 K 9.34 4.87 0.00 1.82 1.90 0.00 1.42 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.65 7.81 62 P 0.00 4.86 0.00 1.96 2.04 0.00 3.65 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 2.03 2.09 0.00 63 W 8.54 5.00 0.00 3.22 3.05 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 64 P 0.00 3.44 0.00 1.67 0.95 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.00 65 S 7.43 4.08 0.00 3.98 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