NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3220 8.2393 119.7080 56.1656 32.3206 174.8143 2 C 4.8790 7.6535 107.2448 53.4886 43.5110 170.2255 3 Q 4.5713 9.0659 121.1669 57.1414 35.1628 174.8980 4 Y 4.1994 8.3345 120.6294 57.2628 38.9182 174.6488 5 G 2.8166 9.8660 115.7434 45.3409 0.0000 172.6952 6 W 5.2982 7.8008 119.8745 55.5497 31.8690 173.6424 7 Q 4.7131 8.6346 123.7372 53.4331 30.6784 174.0569 8 G 3.8604 8.9025 103.1957 44.3589 0.0000 173.2610 9 L 3.9590 8.5195 119.8730 57.8515 41.2832 176.1553 10 Y 4.3940 6.9826 112.6958 56.8350 41.0017 175.8927 11 C 5.2882 7.7630 121.3933 57.0958 42.8946 174.4198 12 D 4.4601 8.3476 128.1588 51.4620 42.2714 176.2221 13 K 4.4553 8.2536 114.8346 56.2977 35.5904 174.9694 14 C 3.9731 8.5556 117.8916 53.9667 40.6369 172.6832 15 I 3.3941 7.5830 120.2536 62.3696 33.6165 172.5665 16 P 4.4084 0.0000 0.0000 65.3317 31.8601 178.8876 17 H 4.1304 7.3882 113.1388 58.8604 28.8045 175.3158 18 P 4.5115 0.0000 0.0000 61.2058 28.5761 174.3194 19 G 3.5383 7.6580 117.3863 46.5212 0.0000 171.3908 20 C 4.9266 8.0379 116.3353 56.2315 44.7141 173.0286 21 V 4.0319 8.1512 117.1530 64.5721 32.6207 174.6912 22 H 4.8595 7.5492 111.2762 54.0330 33.6209 172.1197 23 G 3.7626 8.7640 104.0239 44.2191 0.0000 171.5437 24 I 4.5265 8.2506 114.8991 60.9931 40.6441 171.3690 25 C 5.0099 7.9072 111.0684 55.4581 43.1294 172.7880 26 N 4.7255 9.0117 118.5407 53.5824 40.7515 174.1947 27 E 4.9539 7.9004 115.9360 53.2765 32.1839 173.5447 28 P 3.0657 0.0000 0.0000 63.2109 32.0711 176.2926 29 W 3.7861 6.9263 119.8046 57.2353 26.0421 172.2823 30 Q 4.6071 7.4628 117.3183 54.7974 33.0497 175.0861 31 C 4.8812 8.5004 115.2353 55.6431 44.2509 174.1029 32 L 4.8658 8.6367 124.1742 53.1232 44.5797 173.4737 33 C 5.1283 8.4408 117.8547 53.8632 43.8549 172.7972 34 E 4.4256 8.3085 118.1938 55.8718 30.6356 177.7105 35 T 3.9200 8.4554 115.5213 66.7005 68.7545 176.0300 36 N 4.3727 8.3779 118.9215 56.0324 39.1295 175.0668 37 W 4.3164 7.9582 118.1295 56.0658 29.7765 175.6817 38 G 4.0902 8.8967 111.9246 44.9354 0.0000 174.2344 39 G 4.1249 8.6368 106.9497 45.2463 0.0000 174.5853 40 Q 4.0313 8.4494 118.2734 58.8318 29.1756 178.4496 41 L 4.2201 7.9153 116.6678 55.4920 40.8974 176.3006 42 C 4.2732 7.8621 116.4356 57.4721 37.2317 170.9235 43 D 5.5600 7.9806 120.4797 50.8494 42.4936 177.3557 44 K 3.9257 8.6735 117.1389 57.1651 32.8971 176.6501 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 R 8.24 4.32 0.00 1.81 2.02 0.00 3.33 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 2 C 7.65 4.88 0.00 3.06 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 3 Q 9.07 4.57 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 4 Y 8.33 4.20 0.00 3.07 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 5 G 9.87 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 0.00 0.00 0.00 6 W 7.80 5.30 0.00 3.21 2.98 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 7 Q 8.63 4.71 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 5.66 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 8 G 8.90 3.86 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 0.00 0.00 0.00 9 L 8.52 3.96 0.00 1.64 1.88 0.88 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 10 Y 6.98 4.39 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.76 5.29 0.00 2.90 2.81 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 12 D 8.35 4.46 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.46 0.00 1.89 1.68 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 C 8.56 3.97 0.00 2.17 2.34 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 0.00 15 I 7.58 3.39 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.39 1.02 0.00 0.00 16 P 0.00 4.41 0.00 2.21 2.29 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 17 H 7.39 4.13 0.00 3.18 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.51 0.00 2.15 2.11 0.00 3.84 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 2.36 2.12 0.00 19 G 7.66 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.04 4.93 0.00 3.06 2.93 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 21 V 8.15 4.03 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 0.53 0.00 0.00 0.93 0.00 0.00 22 H 7.55 4.86 0.00 2.61 2.94 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.25 4.53 1.86 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 1.32 0.73 0.88 0.00 0.00 25 C 7.91 5.01 0.00 3.02 3.02 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 0.00 0.00 0.00 26 N 9.01 4.73 0.00 2.69 2.88 0.00 0.00 6.95 7.67 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 27 E 7.90 4.95 0.00 2.18 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 2.30 2.33 0.00 28 P 0.00 3.07 0.00 1.46 1.19 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 29 W 6.93 3.79 0.00 3.43 3.09 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 30 Q 7.46 4.61 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 31 C 8.50 4.88 0.00 2.79 3.01 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 0.00 0.00 0.00 32 L 8.64 4.87 0.00 1.56 1.51 0.93 1.04 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 33 C 8.44 5.13 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.43 0.00 2.36 2.25 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 2.50 2.41 0.00 35 T 8.46 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 1.25 0.00 0.00 36 N 8.38 4.37 0.00 2.70 2.67 0.00 0.00 6.99 7.90 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 37 W 7.96 4.32 0.00 3.13 3.22 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 0.00 38 G 8.90 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 0.00 0.00 0.00 39 G 8.64 4.12 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 0.00 0.00 0.00 40 Q 8.45 4.03 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 41 L 7.92 4.22 0.00 1.74 1.73 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.86 4.27 0.00 2.98 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 43 D 7.98 5.56 0.00 2.88 2.77 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 44 K 8.67 3.93 0.00 1.78 1.79 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81