NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3229 8.2644 123.5820 51.2557 20.7821 176.7037 3 R 4.4489 7.8375 114.4544 53.8179 32.8236 172.5880 4 A 4.8339 8.3193 126.6032 50.1430 22.9728 175.0636 5 R 4.6787 8.2372 116.7339 53.9668 32.3879 175.4698 6 K 4.1671 8.6531 120.6568 56.6134 32.8577 176.4230 7 G 4.1103 7.8369 107.2066 46.1697 0.0000 171.4689 8 A 4.8691 8.2069 121.5819 49.8433 21.2766 175.9109 9 L 4.6398 8.5987 125.4299 54.6479 43.3827 175.9406 10 V 4.3991 9.0423 126.4265 61.1149 34.1093 173.6206 11 Q 4.9963 8.6048 129.3483 54.5476 30.5814 173.9831 12 C 4.8227 8.7686 120.3078 57.0219 33.6498 173.2439 13 D 4.5374 8.5587 118.8629 52.3474 40.0477 175.3099 14 P 4.2066 0.0000 0.0000 66.1849 31.2598 179.0812 15 S 4.1464 8.1314 112.3425 61.4463 62.9996 176.5137 16 I 3.7393 8.1126 123.5220 63.7073 36.7638 178.1231 17 K 3.8398 8.3570 120.6786 59.5831 32.0242 178.4690 18 A 3.9895 8.1169 120.9141 55.3733 18.2055 179.6619 19 L 3.9675 7.8259 117.1723 57.9705 41.6404 179.8123 20 I 3.7363 8.1194 120.1427 64.3214 36.9559 178.3856 21 L 4.0517 8.1832 119.9922 57.9425 41.4226 179.6766 22 Q 3.9987 8.0619 117.9824 58.8651 28.6145 178.6809 23 I 3.7393 7.9427 120.9301 64.5423 37.2183 177.8407 24 D 4.3442 8.5578 118.8982 57.4890 40.8175 178.2116 25 A 4.1422 8.0539 120.1228 54.9056 18.3624 179.5947 26 K 4.0930 7.8000 115.9178 59.6335 32.4170 178.7506 27 M 4.2608 8.1520 116.6455 53.5752 32.9248 176.5610 28 S 3.6666 8.7255 117.0313 58.1270 64.2094 171.3238 29 D 4.6265 8.5919 115.5863 55.4717 39.3140 173.8718 30 I 4.2653 7.3381 117.2013 62.3545 38.6580 175.3738 31 V 4.2222 8.5461 121.7850 62.3936 31.5753 175.1752 32 L 4.4613 9.1133 128.5177 56.8942 42.8219 177.2285 33 E 4.7589 7.7585 116.2478 54.9930 34.2654 174.5836 34 E 4.5039 8.8125 123.6787 56.0010 30.4683 176.1433 35 L 4.4179 8.5656 124.4336 56.3159 42.9046 175.8817 36 D 4.5917 7.3079 115.0452 52.9958 41.2351 175.0106 37 D 4.4711 8.8519 118.0843 57.4288 40.9936 177.0392 38 T 4.9310 8.3808 107.6843 60.0649 70.8204 173.0295 39 H 5.4432 8.4186 118.5503 54.8221 33.5766 172.4358 40 L 5.2547 9.0138 121.2475 52.9098 46.5121 175.0847 41 L 4.9898 8.8754 124.3968 53.8205 43.6422 175.4540 42 V 4.8193 8.7640 126.4769 60.4561 35.2319 173.9910 43 N 4.4851 9.0677 124.7734 53.7098 38.7262 173.9780 44 P 4.2527 0.0000 0.0000 65.5710 31.6539 178.0998 45 S 4.4145 8.2005 110.5683 59.3462 63.2601 175.1664 46 K 4.5883 8.1069 120.3310 56.0523 32.7240 177.8116 47 V 3.6172 7.5388 119.7244 66.1995 31.4281 177.7756 48 E 3.9844 8.1966 117.8183 59.2079 29.3385 178.7243 49 F 4.1179 8.3534 120.2869 61.4909 39.3799 177.1637 50 V 3.4756 8.1990 117.8321 65.9222 31.3102 178.1242 51 K 3.9128 8.1725 118.1993 59.7539 31.9000 179.0985 52 H 4.0620 8.3355 116.7628 58.7613 28.5866 177.5322 53 E 3.7122 8.1363 121.4865 59.0401 29.4102 178.7538 54 L 3.9057 8.0990 119.4568 57.8900 41.6820 178.9415 55 N 4.2520 8.1663 116.8840 56.6565 38.8076 176.9079 56 R 3.8366 7.9755 119.9889 59.3852 30.0174 178.3322 57 L 3.9777 7.9968 117.9196 57.7896 41.6822 179.2570 58 L 4.2223 7.7474 117.7027 57.5759 41.9708 179.1965 59 S 4.3367 8.3693 113.0197 60.0999 63.2900 174.9587 60 K 4.3088 7.7373 119.3738 55.5234 32.4679 175.6615 61 N 4.2358 8.1187 118.6132 53.8674 38.7902 174.6996 62 I 3.7144 8.2592 119.1960 62.8731 38.3338 176.1509 63 Y 4.6683 7.9097 120.8183 56.7181 36.6470 175.4300 64 N 4.6449 7.8016 119.9970 53.3064 39.2944 174.9405 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 A 8.26 4.32 1.31 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 0.00 0.00 3 R 7.84 4.45 0.00 1.81 1.76 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 4 A 8.32 4.83 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 5 R 8.24 4.68 0.00 1.87 1.86 0.00 3.04 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 6 K 8.65 4.17 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 7 G 7.84 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 8 A 8.21 4.87 1.25 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 0.00 0.00 0.00 9 L 8.60 4.64 0.00 1.67 1.60 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.04 4.40 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 0.96 0.00 0.00 0.95 0.00 0.00 11 Q 8.60 5.00 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.51 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 12 C 8.77 4.82 0.00 2.96 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 13 D 8.56 4.54 0.00 2.91 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 14 P 0.00 4.21 0.00 2.17 2.16 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 15 S 8.13 4.15 0.00 4.04 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 16 I 8.11 3.74 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.94 0.90 0.00 0.00 17 K 8.36 3.84 0.00 1.80 1.97 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 A 8.12 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.83 3.97 0.00 1.92 1.72 0.91 0.82 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 20 I 8.12 3.74 2.00 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 1.52 0.79 0.94 0.00 0.00 21 L 8.18 4.05 0.00 1.86 1.73 0.98 0.98 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 22 Q 8.06 4.00 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 23 I 7.94 3.74 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.10 0.00 0.00 24 D 8.56 4.34 0.00 2.79 2.86 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 25 A 8.05 4.14 1.39 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 0.00 0.00 0.00 26 K 7.80 4.09 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.71 7.81 27 M 8.15 4.26 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 28 S 8.73 3.67 0.00 4.10 4.06 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 29 D 8.59 4.63 0.00 2.78 2.74 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 30 I 7.34 4.27 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.99 0.00 0.00 31 V 8.55 4.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 32 L 9.11 4.46 0.00 1.64 1.70 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.76 4.76 0.00 1.88 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 2.31 2.35 0.00 34 E 8.81 4.50 0.00 1.96 1.90 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 2.31 2.33 0.00 35 L 8.57 4.42 0.00 1.74 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.31 4.59 0.00 2.87 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 37 D 8.85 4.47 0.00 2.70 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 38 T 8.38 4.93 4.24 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 0.00 0.00 1.20 0.00 0.00 39 H 8.42 5.44 0.00 3.13 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.01 5.25 0.00 1.55 1.51 0.93 0.29 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 41 L 8.88 4.99 0.00 1.75 1.54 0.97 0.77 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 42 V 8.76 4.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 43 N 9.07 4.49 0.00 2.78 2.73 0.00 0.00 7.38 7.45 0.00 0.00 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 P 0.00 4.25 0.00 2.22 2.10 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 45 S 8.20 4.41 0.00 4.01 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 K 8.11 4.59 0.00 1.90 1.93 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.71 7.81 47 V 7.54 3.62 2.11 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 1.05 0.00 0.00 1.01 0.00 0.00 48 E 8.20 3.98 0.00 2.10 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 2.44 2.35 0.00 49 F 8.35 4.12 0.00 3.17 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 50 V 8.20 3.48 2.26 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 1.03 0.00 0.00 1.09 0.00 0.00 51 K 8.17 3.91 0.00 1.91 1.74 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.59 7.81 52 H 8.34 4.06 0.00 3.15 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.14 3.71 0.00 1.23 1.68 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 2.13 2.26 0.00 54 L 8.10 3.91 0.00 1.80 1.66 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.17 4.25 0.00 2.78 2.92 0.00 0.00 6.91 7.27 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 56 R 7.98 3.84 0.00 2.05 1.96 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 57 L 8.00 3.98 0.00 1.75 1.72 0.90 0.93 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 58 L 7.75 4.22 0.00 1.70 1.70 0.98 0.69 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 59 S 8.37 4.34 0.00 3.97 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 60 K 7.74 4.31 0.00 1.88 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 61 N 8.12 4.24 0.00 2.90 2.93 0.00 0.00 7.10 7.94 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 62 I 8.26 3.71 1.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.76 0.00 0.00 63 Y 7.91 4.67 0.00 3.07 2.90 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 64 N 7.80 4.64 0.00 2.77 2.67 0.00 0.00 7.08 7.56 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