NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9552 8.3549 109.7365 44.2824 0.0000 174.0040 2 S 4.3768 7.9944 115.1142 57.7015 65.0461 172.9536 3 S 4.6327 9.0015 112.6447 55.0393 66.0333 173.9313 4 G 5.1183 7.8163 127.0700 46.7142 0.0000 171.1536 5 S 4.5341 7.5454 116.4866 60.4842 65.2475 176.5840 6 S 4.0718 8.0910 113.0701 61.2848 62.5866 174.7614 7 G 3.7654 7.8999 105.5031 44.2976 0.0000 173.1278 8 E 4.0405 8.5097 117.4241 56.9693 28.0297 177.2030 9 Q 3.0892 8.3811 130.7580 55.7380 27.5527 175.3197 10 A 3.9399 7.8509 122.0039 55.4823 18.8241 177.4203 11 P 4.4428 0.0000 0.0000 63.1358 31.2673 177.6664 12 G 3.5591 7.3509 106.8618 50.2303 0.0000 175.4915 13 T 3.8296 8.0945 117.4730 65.7483 69.4954 175.3968 14 A 4.0575 7.7726 123.1572 51.5849 19.0310 176.7355 15 P 4.4484 0.0000 0.0000 62.3668 32.7771 174.9809 16 C 4.5667 8.3461 112.8689 57.2948 31.1587 173.5498 17 S 4.2246 8.4183 117.1417 57.4535 63.5221 172.7987 18 R 4.0030 8.4931 122.2219 59.3660 29.9192 174.2012 19 G 3.5553 8.6262 118.9059 45.4977 0.0000 172.8357 20 S 5.2054 8.1791 116.6953 57.0899 65.6202 173.5650 21 S 4.9960 9.0483 116.5233 55.9684 65.7665 173.0386 22 W 4.7301 9.1022 135.0000 57.6990 31.6220 175.3036 23 S 4.3656 7.6808 121.7381 56.1172 63.2623 174.0831 24 A 3.7554 8.3273 131.2571 55.0539 18.5837 178.9508 25 D 4.2594 8.1073 113.9416 57.0369 41.2428 176.9095 26 L 4.3476 7.5631 114.9440 53.4358 41.8966 175.3675 27 D 4.0919 7.5163 116.9770 53.8881 40.3611 173.0120 28 K 4.6663 6.6869 113.5140 55.1417 36.4911 174.0971 29 C 4.8957 8.7656 116.7296 57.9511 30.9049 172.7486 30 M 4.2858 8.7264 123.5304 53.8300 33.8358 174.9468 31 D 5.1165 8.2358 121.2027 52.7730 43.0100 176.7425 32 C 4.1248 8.4109 120.9399 63.2571 27.9378 176.4030 33 A 4.1901 8.5193 121.9921 54.9750 17.9712 179.0429 34 S 4.4889 8.5482 112.8474 60.7845 63.6158 176.4371 35 C 4.8614 8.2946 118.4910 60.3501 29.5886 174.9560 36 R 3.9888 8.3079 117.5877 58.9135 28.9611 177.6957 37 A 4.3146 7.8939 119.3538 52.9156 19.5132 177.4461 38 R 4.5477 8.0530 115.4036 53.5545 30.6646 173.9572 39 P 4.5045 0.0000 0.0000 64.3305 31.7981 176.8910 40 H 4.7687 7.7462 116.1782 56.1930 29.2464 175.0846 41 S 4.1821 7.6501 114.2837 57.4364 64.0351 174.4197 42 D 4.3383 8.1111 122.4699 54.9735 40.0997 178.5311 43 F 4.3105 7.3910 113.9785 58.9291 38.4559 175.6006 44 C 4.5393 7.1190 117.7786 60.4597 28.6761 175.6794 45 L 4.0014 7.5156 121.6472 58.0078 41.5953 179.1352 46 G 3.7746 7.9401 104.0667 47.4597 0.0000 175.1244 47 C 4.3095 7.3572 115.6262 61.4646 28.8335 174.2974 48 A 4.2853 7.1903 121.2267 51.0981 19.1409 176.9073 49 A 4.0642 8.7950 124.6258 55.0085 18.4836 177.8478 50 A 4.3155 7.8478 120.7836 52.3004 19.3067 176.5983 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 G 8.35 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 2 S 7.99 4.38 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.00 4.63 0.00 3.77 3.69 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 4 G 7.82 5.12 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 5 S 7.55 4.53 0.00 3.85 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 6 S 8.09 4.07 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 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 0.00 0.00 0.00 8 E 8.51 4.04 0.00 1.94 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 2.29 2.29 0.00 9 Q 8.38 3.09 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 10 A 7.85 3.94 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 P 0.00 4.44 0.00 2.24 2.20 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 12 G 7.35 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.09 3.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 14 A 7.77 4.06 1.22 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 0.00 0.00 15 P 0.00 4.45 0.00 2.16 2.04 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 16 C 8.35 4.57 0.00 3.17 3.08 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 0.00 0.00 0.00 17 S 8.42 4.22 0.00 4.04 4.04 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 0.00 0.00 0.00 0.00 18 R 8.49 4.00 0.00 1.80 1.98 0.00 3.41 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 19 G 8.63 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.18 5.21 0.00 3.84 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 21 S 9.05 5.00 0.00 4.00 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 22 W 9.10 4.73 0.00 3.39 3.04 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 0.00 0.00 0.00 0.00 23 S 7.68 4.37 0.00 3.46 3.33 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 24 A 8.33 3.76 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 25 D 8.11 4.26 0.00 2.60 2.68 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 0.00 0.00 0.00 26 L 7.56 4.35 0.00 1.38 1.48 0.76 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.52 4.09 0.00 2.68 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 28 K 6.69 4.67 0.00 1.77 1.74 0.00 1.27 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 1.14 7.81 29 C 8.77 4.90 0.00 3.13 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.73 4.29 0.00 1.14 0.57 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.59 0.00 31 D 8.24 5.12 0.00 2.80 2.51 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 0.00 32 C 8.41 4.12 0.00 3.17 3.03 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 0.00 0.00 0.00 0.00 33 A 8.52 4.19 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 34 S 8.55 4.49 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.29 4.86 0.00 3.13 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 3.99 0.00 1.90 2.13 0.00 3.07 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 37 A 7.89 4.31 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 38 R 8.05 4.55 0.00 1.90 1.85 0.00 3.17 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 39 P 0.00 4.50 0.00 2.05 2.09 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 40 H 7.75 4.77 0.00 3.15 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.65 4.18 0.00 2.72 3.40 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 42 D 8.11 4.34 0.00 2.80 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 43 F 7.39 4.31 0.00 3.36 3.13 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 0.00 0.00 0.00 44 C 7.12 4.54 0.00 2.65 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 45 L 7.52 4.00 0.00 1.73 1.56 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.94 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 0.00 0.00 0.00 47 C 7.36 4.31 0.00 3.13 3.06 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 48 A 7.19 4.29 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.80 4.06 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 50 A 7.85 4.32 1.22 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 0.00 0.00