NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4527 8.1627 120.6047 55.5273 34.4261 173.6716 2 Q 4.5920 8.2368 123.9293 52.5212 32.3439 172.2922 3 I 4.6484 8.9286 120.0134 58.9664 41.8829 173.6575 4 F 5.4401 8.9458 120.9242 55.7113 42.5047 174.7943 5 V 5.0931 9.1768 121.6811 61.0483 34.4990 173.9935 6 K 5.2393 9.4652 129.5330 54.9138 34.8533 175.2299 7 T 5.1015 8.8107 117.3036 59.9909 71.4635 175.3671 8 L 4.2422 8.6478 120.8587 56.5207 41.8300 177.8884 9 T 4.4051 7.7984 108.3933 61.2693 68.9446 175.7922 10 G 3.9255 7.8475 109.1369 46.2391 0.0000 174.5302 11 K 4.2860 7.9374 120.6693 56.4066 33.2483 176.0611 12 T 5.1293 8.5118 120.9741 61.8132 71.1324 173.5348 13 I 4.7026 9.0616 125.5054 59.6119 41.9677 173.7965 14 T 4.8693 8.6438 125.1901 62.2884 69.7826 174.2227 15 L 4.6159 8.7523 127.0796 53.2440 44.7776 175.6299 16 E 4.8343 8.5611 119.7754 55.1357 31.5781 175.4124 17 V 4.7551 8.0178 118.2210 59.6819 35.9265 174.7746 18 E 4.7038 8.6024 118.4887 54.4166 33.4380 175.5672 19 P 4.3949 0.0000 0.0000 65.5592 31.5403 178.1198 20 S 4.4726 7.8596 109.7684 58.5671 63.9469 174.1201 21 D 4.4229 8.3705 123.7698 54.6658 41.2627 176.2881 22 T 4.7014 8.2191 113.9009 61.0396 71.3849 175.8544 23 I 3.7008 8.1522 122.5114 64.5170 37.0354 178.4953 24 E 4.0210 7.9812 119.1949 59.6273 29.3280 178.9665 25 N 4.2476 7.7682 115.9105 56.5037 38.5987 177.4877 26 V 3.5526 7.7403 119.2307 66.0321 31.5190 178.1137 27 K 4.0463 8.7786 118.7087 59.5215 31.8078 179.1614 28 A 3.9821 8.6127 121.2795 55.1612 18.0379 179.8944 29 K 3.9505 8.4246 117.4077 59.4016 32.0277 179.8073 30 I 3.7381 7.9042 120.5393 64.1605 36.9813 177.8410 31 Q 4.2267 8.1846 122.1132 58.9039 28.6302 178.6625 32 D 4.3240 8.3036 118.2456 56.4786 40.8334 177.7362 33 K 4.3843 7.5383 118.3022 56.6033 33.2770 176.3479 34 E 4.5270 8.4038 115.7490 54.7715 31.1652 175.8995 35 G 3.8981 8.2848 106.8631 46.6439 0.0000 173.4938 36 I 4.4102 7.4676 119.8859 58.1208 39.2103 173.8055 37 P 4.4926 0.0000 0.0000 61.8434 32.0345 175.5590 38 P 4.2291 0.0000 0.0000 65.6998 31.4048 178.0598 39 D 4.4836 8.0564 115.7074 55.3595 39.7628 176.6507 40 Q 4.4209 8.3372 118.8921 55.7845 29.1071 174.2570 41 Q 4.9923 7.8522 118.1277 54.1274 30.7903 175.1658 42 R 4.6521 9.0418 123.3739 54.3776 32.9750 174.8708 43 L 5.1596 8.4617 123.3340 53.1436 44.6142 175.4344 44 I 5.5331 8.9222 123.1501 58.4536 41.2346 174.2471 45 F 4.9796 8.2465 127.6713 56.5708 42.5708 174.2077 46 A 3.3555 8.8186 129.8951 53.3563 15.3784 177.9688 47 G 3.8872 8.1616 106.4119 46.6341 0.0000 173.9674 48 K 4.3759 7.4653 119.9139 54.8161 33.4738 175.8103 49 Q 4.2150 8.4189 124.7171 54.9193 28.6959 174.9632 50 L 3.9378 8.2705 126.9682 54.7279 42.4089 176.6967 51 E 4.4987 9.0175 122.9471 55.0566 30.9505 177.0010 52 D 4.4131 9.1421 124.0570 57.7243 41.1771 179.6484 53 G 3.6471 8.0135 106.1809 47.9551 0.0000 174.1924 54 R 4.1933 7.8324 119.2303 55.9974 30.6447 175.7023 55 T 5.0079 8.1801 109.5656 59.9206 71.0561 175.9879 56 L 4.0669 8.4532 121.4623 57.8381 41.9586 180.0776 57 S 4.1870 8.4653 113.6200 61.0381 62.5763 175.8105 58 D 4.2731 7.6256 119.4249 57.0224 40.5460 176.6637 59 Y 4.5513 7.9672 114.0830 57.0719 37.9564 174.6882 60 N 4.2266 8.2782 115.8015 54.2301 38.1776 174.0078 61 I 3.4018 7.3705 116.6672 61.1070 37.6293 175.2841 62 Q 4.2672 8.9500 126.7626 54.6815 31.4950 172.9118 63 K 3.9694 8.7871 115.3208 58.7963 32.2788 176.0405 64 E 4.2180 8.9121 121.5857 57.4329 27.8763 174.6528 65 S 4.5549 8.2824 115.7949 58.9853 64.1037 173.3134 66 T 5.1192 8.8021 120.7859 62.1834 69.9396 174.0600 67 L 4.9163 9.6425 127.8156 53.8004 44.5165 175.1320 68 H 5.3576 9.5707 119.9909 54.1125 31.1342 173.2341 69 L 5.1367 8.7291 125.9072 53.2950 43.7279 175.5705 70 V 4.4847 8.7623 126.2236 61.1256 34.4205 174.9356 71 L 4.5937 8.5641 127.1069 55.5841 43.0466 176.0558 72 R 3.8919 8.8782 120.7502 53.8370 29.6530 176.8534 73 L 3.6220 6.4089 121.5601 56.2164 40.5945 175.1655 74 R 4.2721 8.1236 117.2563 55.6424 30.9323 177.2319 75 G 3.7280 8.4083 110.8895 45.9390 0.0000 172.1571 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 8.16 4.45 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 Q 8.24 4.59 0.00 2.07 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.59 0.00 0.00 0.00 0.00 0.00 1.95 2.30 0.00 3 I 8.93 4.65 1.89 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 1.08 1.00 0.82 0.00 0.00 4 F 8.95 5.44 0.00 2.95 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 5 V 9.18 5.09 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 0.97 0.00 0.00 0.93 0.00 0.00 6 K 9.47 5.24 0.00 1.81 1.64 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.48 7.81 7 T 8.81 5.10 4.26 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 0.00 0.00 0.00 1.29 0.00 0.00 8 L 8.65 4.24 0.00 1.66 1.76 0.92 0.82 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 9 T 7.80 4.41 4.25 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 1.21 0.00 0.00 10 G 7.85 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.94 4.29 0.00 1.81 1.76 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.47 7.81 12 T 8.51 5.13 4.25 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 1.24 0.00 0.00 13 I 9.06 4.70 1.90 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 1.24 1.15 1.01 0.00 0.00 14 T 8.64 4.87 4.25 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 1.03 0.00 0.00 15 L 8.75 4.62 0.00 1.45 1.49 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.56 4.83 0.00 1.76 1.81 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 2.11 2.23 0.00 17 V 8.02 4.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.84 0.00 0.00 18 E 8.60 4.70 0.00 1.89 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 2.19 2.39 0.00 19 P 0.00 4.39 0.00 2.16 2.10 0.00 3.56 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 2.10 2.07 0.00 20 S 7.86 4.47 0.00 3.96 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 21 D 8.37 4.42 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.70 4.45 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 0.00 0.00 0.00 1.27 0.00 0.00 23 I 8.15 3.70 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.23 0.88 0.00 0.00 24 E 7.98 4.02 0.00 1.97 2.01 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 2.34 2.45 0.00 25 N 7.77 4.25 0.00 2.89 2.87 0.00 0.00 6.73 7.36 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 26 V 7.74 3.55 2.22 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 1.06 0.00 0.00 0.95 0.00 0.00 27 K 8.78 4.05 0.00 2.01 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.45 7.81 28 A 8.61 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.95 0.00 1.93 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.90 3.74 2.12 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 1.40 0.75 0.96 0.00 0.00 31 Q 8.18 4.23 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 D 8.30 4.32 0.00 2.80 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 33 K 7.54 4.38 0.00 1.87 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.44 7.81 34 E 8.40 4.53 0.00 2.03 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 2.22 2.36 0.00 35 G 8.28 3.90 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 0.00 0.00 0.00 36 I 7.47 4.41 1.87 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.49 0.00 2.32 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 39 D 8.06 4.48 0.00 2.76 2.80 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 0.00 0.00 0.00 40 Q 8.34 4.42 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 41 Q 7.85 4.99 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 R 9.04 4.65 0.00 1.84 1.81 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.46 5.16 0.00 1.54 1.51 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.92 5.53 1.92 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 1.09 1.40 1.00 0.00 0.00 45 F 8.25 4.98 0.00 2.97 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 46 A 8.82 3.36 0.89 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 0.00 0.00 47 G 8.16 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 0.00 0.00 0.00 48 K 7.47 4.38 0.00 2.01 1.80 0.00 2.01 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.58 7.81 49 Q 8.42 4.22 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 50 L 8.27 3.94 0.00 1.44 1.26 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.02 4.50 0.00 2.08 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 2.32 2.35 0.00 52 D 9.14 4.41 0.00 2.79 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 53 G 8.01 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.83 4.19 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 55 T 8.18 5.01 4.50 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 1.26 0.00 0.00 56 L 8.45 4.07 0.00 1.90 1.71 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.47 4.19 0.00 3.92 3.84 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 0.00 0.00 0.00 58 D 7.63 4.27 0.00 2.70 2.36 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 59 Y 7.97 4.55 0.00 2.97 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 60 N 8.28 4.23 0.00 2.90 3.02 0.00 0.00 7.09 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 61 I 7.37 3.40 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.45 0.52 0.00 0.00 62 Q 8.95 4.27 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 63 K 8.79 3.97 0.00 1.80 1.79 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 E 8.91 4.22 0.00 2.25 2.30 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 2.66 2.39 0.00 65 S 8.28 4.55 0.00 3.67 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 66 T 8.80 5.12 4.33 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 1.20 0.00 0.00 67 L 9.64 4.92 0.00 1.64 1.58 0.66 0.76 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 68 H 9.57 5.36 0.00 3.20 3.21 0.00 5.77 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 69 L 8.73 5.14 0.00 1.62 1.56 1.02 0.81 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 70 V 8.76 4.48 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.56 4.59 0.00 1.57 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.88 3.89 0.00 1.95 1.74 0.00 3.46 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 73 L 6.41 3.62 0.00 1.80 1.75 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.12 4.27 0.00 1.80 1.87 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 75 G 8.41 3.73 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 0.00 0.00 0.00