NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5313 8.1633 120.3273 54.7843 34.8266 175.0686 2 K 3.9237 8.7177 121.9213 57.9723 31.5851 177.1174 3 A 4.0676 9.2940 132.7791 55.5444 19.2854 178.6854 4 K 3.7340 8.1456 117.2169 60.1175 32.2513 177.7526 5 E 4.0881 8.0212 116.9587 59.6884 29.3723 179.5058 6 L 4.0097 7.5900 118.7417 57.4602 42.2384 178.2283 7 R 4.3081 7.6448 113.0213 55.5516 30.3488 176.1705 8 E 4.3026 7.2322 120.3568 55.6713 30.6421 176.6853 9 K 4.2318 8.5137 122.2433 55.9541 32.7234 177.2242 10 S 3.8323 7.6985 112.6948 61.8369 62.0521 177.0073 11 V 3.6214 7.7194 115.5748 65.2640 31.6822 177.9812 12 E 4.0304 8.2970 117.9464 59.4389 29.2987 179.0489 13 E 3.9804 8.1132 117.8499 59.4862 29.3654 179.2617 14 L 4.2034 7.9695 120.2841 57.2767 41.6424 179.1329 15 N 4.6074 7.7652 113.9804 55.0371 37.7640 176.5061 16 T 4.1853 7.7080 118.3062 65.5779 68.3074 176.3013 17 E 4.1647 7.7810 118.2318 58.6430 29.9829 178.5889 18 L 4.0171 7.9049 119.5530 57.4865 41.3986 179.1206 19 L 4.1609 7.6558 120.1715 57.8721 42.0404 177.8965 20 N 4.3488 8.0258 116.3340 56.9703 38.5674 176.7133 21 L 3.9937 8.0481 120.8851 56.3366 42.2100 176.0503 22 L 4.8047 8.1168 119.5565 54.1179 42.8788 177.0716 23 R 4.0204 9.7612 123.6319 56.8987 26.4798 176.7901 24 E 4.7956 7.9828 112.9896 57.0470 35.2742 176.1555 25 Q 4.3986 7.9306 118.3962 56.5506 31.9119 176.8259 26 F 4.2428 8.6327 119.9202 61.3323 38.8972 176.6012 27 N 4.2795 8.4125 116.0368 56.1313 36.8627 176.6595 28 L 3.9656 7.7536 121.1039 57.4764 41.6109 179.8791 29 R 3.9754 7.8806 114.1101 58.8015 29.3493 178.2779 30 M 4.0358 7.5373 119.2342 57.8184 32.3350 178.2292 31 Q 3.9655 7.5230 117.2500 59.1148 28.7309 178.8469 32 A 3.9738 7.9499 121.2925 55.1357 18.2263 178.8305 33 A 4.3099 7.3499 116.0011 53.2642 18.6396 177.6486 34 S 4.4394 7.8112 108.2923 56.7377 63.9182 174.3788 35 G 3.9854 7.9772 106.7754 46.1409 0.0000 174.0142 36 Q 3.8922 7.8876 118.4273 56.3120 28.5126 172.5233 37 L 3.4619 8.4276 128.8302 54.7148 42.1833 176.1035 38 Q 4.4494 8.4541 124.2461 54.9242 27.3608 177.2380 39 Q 4.6027 7.2476 120.7467 54.6752 28.6100 177.0135 40 S 4.2603 7.9389 117.9735 61.2751 63.1768 175.5087 41 H 4.2690 8.2225 117.4129 58.4380 27.9662 177.4716 42 L 3.8802 7.0807 120.0244 57.3349 41.5554 178.9362 43 L 4.1190 7.7129 119.4961 57.3490 41.3585 179.2954 44 K 3.9458 7.5916 119.7522 58.9088 32.1837 177.1815 45 Q 4.3701 7.6753 114.7356 56.2326 30.0037 174.8104 46 V 3.6234 8.4270 120.3907 63.9839 30.9951 173.4057 47 R 4.1284 7.3580 117.9164 59.0779 30.1031 180.2084 48 R 4.7237 7.4833 116.4856 55.7290 29.7802 176.9054 49 D 4.7618 8.0337 116.0675 54.8131 47.0871 177.1954 50 V 3.7207 8.3884 119.3436 64.3543 31.0557 178.1953 51 A 3.9780 7.9622 121.6349 55.0792 18.4587 179.3185 52 R 3.8311 8.0246 115.8431 59.6505 29.9740 179.0578 53 V 3.5767 7.3022 115.6619 66.0790 31.6387 177.7942 54 K 4.0891 7.4514 117.0835 59.4289 32.0435 178.7001 55 T 4.0133 7.8052 116.3904 66.0087 68.4063 175.0250 56 L 4.1953 7.3125 118.4442 54.9827 42.9496 176.7900 57 L 4.3590 8.7192 123.2482 57.0091 39.9300 176.6645 58 N 4.3070 7.9112 116.4449 55.8374 38.7055 177.3005 59 E 4.0713 7.7157 115.9517 58.5588 29.2928 178.1549 60 K 4.1684 7.9509 116.7398 55.6531 32.7707 176.4912 61 A 4.3036 8.7147 120.9709 53.2223 16.2837 177.8374 62 G 3.9075 8.6189 104.8948 46.8107 0.0000 174.5409 63 A 4.3105 7.6102 127.9570 51.8411 19.1969 177.2183 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 4.53 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 2 K 8.72 3.92 0.00 1.88 1.59 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.57 7.81 3 A 9.29 4.07 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 4 K 8.15 3.73 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.55 7.81 5 E 8.02 4.09 0.00 2.29 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 2.42 2.48 0.00 6 L 7.59 4.01 0.00 1.62 1.88 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.64 4.31 0.00 2.04 2.02 0.00 3.11 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 8 E 7.23 4.30 0.00 2.04 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 2.53 2.42 0.00 9 K 8.51 4.23 0.00 1.86 1.72 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.48 7.81 10 S 7.70 3.83 0.00 4.07 3.80 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 11 V 7.72 3.62 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 0.83 0.00 0.00 0.93 0.00 0.00 12 E 8.30 4.03 0.00 2.10 1.94 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 2.33 2.62 0.00 13 E 8.11 3.98 0.00 2.00 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 2.40 2.61 0.00 14 L 7.97 4.20 0.00 1.84 1.72 0.95 0.96 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 15 N 7.77 4.61 0.00 2.82 2.94 0.00 0.00 7.15 8.57 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 16 T 7.71 4.19 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 1.21 0.00 0.00 17 E 7.78 4.16 0.00 2.24 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 2.45 2.34 0.00 18 L 7.90 4.02 0.00 1.69 1.75 0.90 0.53 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 19 L 7.66 4.16 0.00 1.61 1.93 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.03 4.35 0.00 2.79 2.89 0.00 0.00 6.75 6.87 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 21 L 8.05 3.99 0.00 1.88 1.82 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.12 4.80 0.00 1.71 1.37 0.80 0.98 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 23 R 9.76 4.02 0.00 1.99 2.13 0.00 3.42 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 24 E 7.98 4.80 0.00 2.22 1.94 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 2.24 2.29 0.00 25 Q 7.93 4.40 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 26 F 8.63 4.24 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 27 N 8.41 4.28 0.00 3.04 3.14 0.00 0.00 6.16 6.67 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 28 L 7.75 3.97 0.00 1.90 1.73 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.88 3.98 0.00 1.91 2.19 0.00 3.13 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 30 M 7.54 4.04 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 31 Q 7.52 3.97 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 32 A 7.95 3.97 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 33 A 7.35 4.31 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 34 S 7.81 4.44 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.98 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.89 3.89 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.01 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 37 L 8.43 3.46 0.00 1.74 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.45 4.45 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.30 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 39 Q 7.25 4.60 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 40 S 7.94 4.26 0.00 3.88 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 41 H 8.22 4.27 0.00 3.38 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.08 3.88 0.00 1.68 1.70 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.71 4.12 0.00 1.62 1.70 0.90 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 K 7.59 3.95 0.00 1.70 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 45 Q 7.68 4.37 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 5.77 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 46 V 8.43 3.62 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 0.93 0.00 0.00 0.98 0.00 0.00 47 R 7.36 4.13 0.00 2.08 2.14 0.00 3.19 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 48 R 7.48 4.72 0.00 1.80 1.94 0.00 3.28 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 49 D 8.03 4.76 0.00 2.65 2.67 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 50 V 8.39 3.72 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 0.88 0.00 0.00 0.94 0.00 0.00 51 A 7.96 3.98 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 52 R 8.02 3.83 0.00 2.08 2.03 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 53 V 7.30 3.58 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 0.94 0.00 0.00 1.08 0.00 0.00 54 K 7.45 4.09 0.00 1.93 1.92 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 T 7.81 4.01 4.34 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 1.21 0.00 0.00 56 L 7.31 4.20 0.00 1.80 1.63 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.72 4.36 0.00 2.05 2.20 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.91 4.31 0.00 2.78 2.89 0.00 0.00 7.05 7.66 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 59 E 7.72 4.07 0.00 2.14 2.02 0.00 0.00 0.00 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 2.33 0.00 60 K 7.95 4.17 0.00 1.97 1.83 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.49 7.81 61 A 8.71 4.30 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 62 G 8.62 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 0.00 0.00 0.00 63 A 7.61 4.31 1.18 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 0.00 0.00