NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2636 8.3044 120.3488 55.4061 34.2764 175.7152 2 K 3.9075 7.7836 129.2938 55.9001 31.4284 174.9051 3 M 4.5703 8.8795 127.2524 53.5310 35.2830 177.0378 4 L 4.1557 8.1922 119.0187 57.0072 41.6908 179.5782 5 K 4.1350 7.9938 120.0835 59.2795 32.2811 178.1997 6 E 3.8246 7.9098 120.0583 58.9894 29.6018 178.9130 7 K 3.9785 7.9637 118.1292 59.4520 32.4617 178.9824 8 A 4.0422 7.5077 121.7206 55.0458 18.1149 179.8495 9 G 2.0000 7.0948 102.7334 47.0372 0.0000 175.4727 10 A 3.9876 7.5992 123.1144 55.0366 18.4379 179.8400 11 L 4.0145 7.8932 117.1276 57.6838 41.7359 179.4004 12 A 4.1461 7.6506 120.7176 55.0014 18.1182 179.9468 13 G 3.5470 7.6448 103.1117 48.1892 0.0000 176.0383 14 Q 4.1656 8.0361 120.4563 58.5662 28.3331 178.2309 15 I 3.7783 8.0269 121.9319 63.9465 37.1780 178.0562 16 W 4.1030 8.2085 128.8672 60.6638 30.3294 177.8558 17 E 4.0656 8.3929 117.0913 59.3669 28.9220 178.9271 18 A 4.0925 7.8021 120.0789 54.9583 18.6080 179.2270 19 L 4.0638 7.4105 115.8441 55.4902 41.6243 176.6234 20 N 3.7551 6.9571 118.5531 54.5086 38.8980 174.9362 21 G 3.8676 8.8875 113.7525 45.5634 0.0000 172.2007 22 T 4.6209 7.0781 108.5839 59.4981 71.3723 173.6698 23 E 4.2983 8.6098 119.1554 56.5879 29.4057 177.7292 24 G 3.8232 8.0717 106.0690 45.4172 0.0000 173.3833 25 L 4.8466 7.7996 119.8610 52.0959 45.6006 176.5993 26 T 4.6954 8.4912 111.9823 60.7759 71.3166 175.7590 27 Q 2.9672 8.3915 119.8353 59.3360 28.2179 179.2731 28 K 3.8522 7.3572 120.0429 58.9587 32.1927 179.4710 29 Q 3.9594 7.5969 117.1498 58.8246 28.5486 178.8559 30 I 3.6404 7.5695 120.8045 64.2931 37.3318 178.2217 31 K 3.8443 7.6877 121.7568 58.6470 31.3729 178.6630 32 K 3.8659 8.0441 119.4721 59.5814 32.0071 178.8441 33 A 4.0936 7.7239 119.3139 54.5970 18.2914 178.7871 34 T 4.2004 8.1974 107.2904 61.1197 69.2212 175.5123 35 K 3.7022 7.5798 120.4469 57.2481 31.0202 175.2728 36 L 4.1919 7.6436 117.3059 53.8898 42.0499 177.2953 37 K 3.9924 8.9356 125.2997 58.8156 32.9121 176.5004 38 A 4.7948 7.6743 121.5946 50.2526 21.0193 177.3831 39 D 4.5072 8.6756 122.2558 56.1361 38.0051 178.8687 40 K 4.3321 8.4191 119.9041 59.9515 31.8620 178.5532 41 D 4.7172 7.9668 118.0897 57.0235 40.6713 178.3062 42 F 4.0954 8.0650 121.1142 61.5099 39.2952 177.2592 43 F 3.9867 7.4988 115.6446 60.4246 38.4050 177.6902 44 L 4.2552 7.9933 117.7612 57.4179 41.6963 179.3197 45 G 3.6634 7.8480 105.5883 47.8107 0.0000 175.5894 46 L 3.9314 7.8503 124.0255 57.5962 41.9346 179.3032 47 G 3.6694 8.1759 105.7079 47.3751 0.0000 175.4392 48 W 4.0060 8.1663 130.5068 59.9389 30.7807 178.2651 49 L 4.1357 7.9266 118.9104 57.6516 41.0234 179.1611 50 L 4.0685 8.0967 119.3975 57.5400 41.3333 179.5576 51 R 3.7833 7.7779 114.7959 58.5936 29.2855 177.2071 52 E 4.2584 7.4261 114.8712 55.1690 30.0315 175.3755 53 D 4.4453 7.8186 118.1266 55.1447 40.3330 174.3925 54 K 4.4167 7.9204 114.6992 57.2945 33.6399 176.2058 55 V 5.0780 7.4720 113.3044 60.0385 36.2678 174.9300 56 V 4.6141 8.7871 115.4576 59.8843 34.2922 175.2215 57 T 5.1337 8.5049 114.6031 60.6754 71.1828 173.5291 58 S 4.8089 9.1457 118.4730 57.6201 68.5426 172.2135 59 E 5.0417 8.7860 121.3594 54.6005 31.9391 175.1029 60 V 4.1031 8.7289 127.1682 61.7963 32.0755 175.0260 61 E 3.8619 9.7383 128.1063 57.5219 26.7987 175.9576 62 G 3.9552 8.8085 104.4486 45.3391 0.0000 173.4393 63 E 4.7356 7.9031 120.0656 53.6704 32.4072 174.9174 64 I 4.3721 8.6948 125.9897 61.4232 38.2744 174.6247 65 F 5.3698 9.1263 130.0711 56.3078 42.1030 174.5017 66 V 4.8177 7.8002 124.1142 59.9775 35.1046 174.0599 67 K 4.7335 8.6463 122.2655 54.3094 36.1814 175.3308 68 L 4.6358 8.2610 123.8464 54.7035 42.6015 178.1526 69 V 3.9178 8.3569 121.1131 62.8668 31.3553 177.1729 70 L 4.1515 7.6837 122.4713 57.6013 41.6240 176.6046 71 E 4.6372 7.5602 112.0311 55.7539 32.1577 174.4350 72 H 4.9060 7.8873 110.5613 54.5774 28.2247 173.2738 73 H 4.5894 8.4312 123.9942 56.4328 26.7611 174.4574 74 H 4.5244 8.0921 120.1862 54.6764 28.8529 172.7670 75 H 4.8049 7.8138 120.0025 54.4365 30.7567 176.3810 76 H 3.9342 8.5645 120.1456 55.6483 27.2711 174.2575 77 H 4.2757 8.8205 119.4200 57.4237 29.6624 176.0503 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 4.26 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 7.78 3.91 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.50 7.81 3 M 8.88 4.57 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 4 L 8.19 4.16 0.00 1.75 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.99 4.14 0.00 1.91 1.87 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.35 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.77 1.81 7.81 6 E 7.91 3.82 0.00 2.03 2.05 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 2.26 2.28 0.00 7 K 7.96 3.98 0.00 2.03 2.01 0.00 1.51 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.77 7.81 8 A 7.51 4.04 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.09 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.60 3.99 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 11 L 7.89 4.01 0.00 1.67 1.72 0.96 0.48 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 12 A 7.65 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.64 3.55 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 0.00 14 Q 8.04 4.17 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 15 I 8.03 3.78 1.93 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 1.64 1.31 0.96 0.00 0.00 16 W 8.21 4.10 0.00 3.58 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.39 4.07 0.00 2.26 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 0.00 2.85 2.60 0.00 18 A 7.80 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.06 0.00 1.55 1.46 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 N 6.96 3.76 0.00 1.71 2.65 0.00 0.00 7.59 7.48 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 21 G 8.89 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 0.00 0.00 0.00 22 T 7.08 4.62 4.22 0.00 0.00 0.00 0.00 0.00 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 23 E 8.61 4.30 0.00 2.07 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 0.00 2.40 2.44 0.00 24 G 8.07 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 0.00 0.00 0.00 25 L 7.80 4.85 0.00 1.60 1.45 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.49 4.70 4.47 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 1.47 0.00 0.00 27 Q 8.39 2.97 0.00 1.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 28 K 7.36 3.85 0.00 1.86 1.82 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.38 7.81 29 Q 7.60 3.96 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 30 I 7.57 3.64 1.65 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 1.08 0.00 0.00 31 K 7.69 3.84 0.00 1.65 1.81 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.29 7.81 32 K 8.04 3.87 0.00 1.97 1.94 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.47 7.81 33 A 7.72 4.09 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 34 T 8.20 4.20 4.51 0.00 0.00 0.00 0.00 0.00 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 35 K 7.58 3.70 0.00 1.96 1.96 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 36 L 7.64 4.19 0.00 1.72 1.78 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.94 3.99 0.00 1.72 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 A 7.67 4.79 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 39 D 8.68 4.51 0.00 2.90 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 40 K 8.42 4.33 0.00 1.90 2.05 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.65 1.57 7.81 41 D 7.97 4.72 0.00 2.94 2.75 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 42 F 8.06 4.10 0.00 2.98 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 43 F 7.50 3.99 0.00 3.12 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 44 L 7.99 4.26 0.00 1.83 1.79 1.10 0.98 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 45 G 7.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.93 0.00 0.80 1.21 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.18 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.17 4.01 0.00 3.60 3.19 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 0.00 49 L 7.93 4.14 0.00 2.05 1.77 1.25 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.10 4.07 0.00 1.87 1.70 0.93 0.79 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 51 R 7.78 3.78 0.00 1.64 1.92 0.00 2.35 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.20 0.00 52 E 7.43 4.26 0.00 1.81 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 2.16 2.01 0.00 53 D 7.82 4.45 0.00 2.86 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 54 K 7.92 4.42 0.00 2.09 2.11 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.66 7.81 55 V 7.47 5.08 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 0.85 0.00 0.00 0.98 0.00 0.00 56 V 8.79 4.61 2.12 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 0.87 0.00 0.00 1.00 0.00 0.00 57 T 8.50 5.13 4.31 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 1.25 0.00 0.00 58 S 9.15 4.81 0.00 4.09 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.79 5.04 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 60 V 8.73 4.10 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 0.95 0.00 0.00 0.66 0.00 0.00 61 E 9.74 3.86 0.00 2.14 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 2.18 2.25 0.00 62 G 8.81 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 0.00 0.00 0.00 63 E 7.90 4.74 0.00 2.01 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 2.22 2.37 0.00 64 I 8.69 4.37 2.07 0.00 0.00 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 1.29 1.07 1.11 0.00 0.00 65 F 9.13 5.37 0.00 3.15 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 66 V 7.80 4.82 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.95 0.00 0.00 67 K 8.65 4.73 0.00 1.70 1.61 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.45 7.81 68 L 8.26 4.64 0.00 1.56 1.54 0.39 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.36 3.92 2.12 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 0.81 0.00 0.00 0.96 0.00 0.00 70 L 7.68 4.15 0.00 1.65 1.80 0.94 0.83 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 71 E 7.56 4.64 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 72 H 7.89 4.91 0.00 3.19 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.43 4.59 0.00 3.35 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.09 4.52 0.00 3.12 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.81 4.80 0.00 3.30 3.26 0.00 5.71 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 76 H 8.56 3.93 0.00 3.29 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.82 4.28 0.00 3.08 3.15 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00