NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.7194 8.2500 119.5191 56.0345 31.2791 177.1992 2 Q 3.4958 7.0933 123.6575 58.1353 29.3175 173.3504 3 C 4.8508 6.9905 112.4634 57.2934 48.3987 172.4934 4 G 4.0995 8.3853 109.0031 44.2785 0.0000 173.8935 5 R 3.8660 8.5462 117.1667 59.5955 30.2530 178.3640 6 Q 4.4512 7.8661 115.4872 55.6117 28.1885 177.1676 7 A 4.4546 8.3114 117.7569 51.9957 23.1549 177.9458 8 G 3.7390 8.2132 103.6271 46.0125 0.0000 173.6889 9 G 3.7368 7.9736 105.3253 46.3584 0.0000 176.2126 10 K 4.2163 7.7232 120.4010 54.4437 30.5809 176.9876 11 L 4.3568 7.9255 122.6505 54.9679 42.4553 177.1889 12 C 5.0413 8.1953 116.9465 54.0857 39.5937 172.0683 13 P 4.3769 0.0000 0.0000 63.1809 31.4892 175.8125 14 N 3.9603 9.4244 111.5612 53.2841 36.0729 173.9982 15 N 4.2039 8.4116 111.3746 53.4863 36.2043 173.8174 16 L 4.2231 7.5362 117.6869 56.0532 42.7931 175.8919 17 C 4.7116 9.2687 117.8287 56.7919 39.4686 172.5090 18 C 5.4207 8.5142 121.2843 55.2387 37.1481 174.0813 19 S 4.3831 8.7644 119.8895 57.8666 63.8428 175.1512 20 Q 3.8800 8.0379 121.6013 59.2390 28.5695 177.8970 21 W 4.0509 7.9057 116.0578 57.7655 29.7855 175.5592 22 G 3.8382 8.4507 106.3603 45.5680 0.0000 173.3634 23 W 5.3269 7.3058 116.6093 54.9757 34.0300 177.0175 24 C 5.2317 9.2944 121.3741 56.5781 40.1267 172.9679 25 G 3.8364 8.5097 108.8076 45.9562 0.0000 172.8645 26 S 4.8794 8.2159 112.4499 57.2149 62.3033 172.7847 27 T 4.7223 7.1105 111.9934 59.0390 72.4676 175.2797 28 D 4.4465 8.7020 122.3039 57.8455 40.5472 179.0653 29 E 4.0891 7.8550 117.6347 58.8820 29.4800 178.0322 30 Y 4.5635 8.0598 115.0246 58.7603 38.7948 175.9339 31 C 4.7811 8.1267 118.0994 56.1892 39.9531 173.1734 32 S 4.7990 8.0271 115.4996 56.3412 63.1982 173.0838 33 P 4.3964 0.0000 0.0000 65.4554 31.3720 178.0768 34 D 4.5406 8.2249 118.0303 56.8477 40.7645 176.5903 35 H 4.8143 7.7470 114.7363 54.9699 28.8772 173.5592 36 N 4.1093 8.5504 117.8634 54.2120 35.5010 171.3467 37 C 4.7700 7.9037 114.0667 55.4060 43.3204 173.5594 38 Q 4.4366 8.5149 116.3899 57.0809 30.2241 176.3374 39 S 4.6684 7.2471 111.1933 57.2360 67.0583 173.2342 40 N 4.1090 8.9047 115.2696 54.2111 36.0613 175.1237 41 C 4.5144 8.1828 117.4690 56.6540 44.4119 172.6120 42 K 4.3299 8.3417 128.3992 55.3367 32.4134 175.9839 43 D 4.6040 8.7298 126.4754 54.6582 40.8077 175.8438 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 E 8.25 4.72 0.00 1.90 1.88 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 2.24 2.25 0.00 2 Q 7.09 3.50 0.00 0.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.23 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 3 C 6.99 4.85 0.00 3.00 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 4 G 8.39 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 3.87 0.00 1.80 1.88 0.00 3.14 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 6 Q 7.87 4.45 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 7 A 8.31 4.45 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.97 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.72 4.22 0.00 1.84 1.73 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.39 7.81 11 L 7.93 4.36 0.00 1.63 1.62 0.92 0.94 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 12 C 8.20 5.04 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.23 2.23 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 14 N 9.42 3.96 0.00 2.88 2.93 0.00 0.00 6.98 8.01 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 15 N 8.41 4.20 0.00 3.09 2.95 0.00 0.00 6.43 7.81 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 16 L 7.54 4.22 0.00 1.66 1.94 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 C 9.27 4.71 0.00 3.18 3.24 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 0.00 18 C 8.51 5.42 0.00 2.86 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 19 S 8.76 4.38 0.00 3.34 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 3.88 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.73 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 21 W 7.91 4.05 0.00 3.52 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 22 G 8.45 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 0.00 0.00 0.00 23 W 7.31 5.33 0.00 3.19 3.31 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 24 C 9.29 5.23 0.00 3.03 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 25 G 8.51 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 0.00 0.00 0.00 26 S 8.22 4.88 0.00 3.80 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 27 T 7.11 4.72 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 28 D 8.70 4.45 0.00 2.80 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 29 E 7.85 4.09 0.00 2.12 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 2.24 2.32 0.00 30 Y 8.06 4.56 0.00 3.03 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.13 4.78 0.00 3.25 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 32 S 8.03 4.80 0.00 4.05 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 33 P 0.00 4.40 0.00 2.27 2.31 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 34 D 8.22 4.54 0.00 2.66 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 35 H 7.75 4.81 0.00 3.23 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.55 4.11 0.00 2.90 2.77 0.00 0.00 6.78 7.33 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 37 C 7.90 4.77 0.00 3.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.51 4.44 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 39 S 7.25 4.67 0.00 3.82 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 40 N 8.90 4.11 0.00 2.95 2.96 0.00 0.00 6.89 7.68 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 41 C 8.18 4.51 0.00 3.00 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 42 K 8.34 4.33 0.00 1.79 1.74 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.40 7.81 43 D 8.73 4.60 0.00 2.72 2.55 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