NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3043 8.4293 120.2259 56.7555 30.4459 175.4450 2 T 4.0812 7.4058 113.3770 59.9380 71.4437 173.0658 3 P 4.2597 0.0000 0.0000 65.6124 31.4713 180.1528 4 A 4.0069 7.6767 118.7513 55.4559 18.4266 179.8219 5 Q 3.9614 8.0348 115.9750 58.7625 28.3610 178.7454 6 R 3.8952 8.0467 120.0591 59.6984 29.9221 178.5993 7 Q 4.0687 7.6990 115.7250 58.1993 28.9767 178.2504 8 A 4.1290 7.6525 122.7217 55.1582 18.4422 179.7251 9 R 3.8912 8.0194 114.5536 59.5738 29.1812 178.8342 10 L 4.0125 7.4988 118.0576 56.7128 41.5241 178.0185 11 L 4.6385 7.2940 118.8916 54.0825 42.7611 175.8409 12 R 4.6694 7.6127 113.8844 55.8379 33.8432 174.6808 13 M 4.3928 8.4124 118.8664 55.0061 32.4385 177.2230 14 S 4.8446 8.4865 122.6447 57.6893 64.1684 174.4765 15 A 4.5824 8.2040 121.2316 53.3393 23.3816 175.6016 16 Y 4.8211 7.6810 113.0579 56.0357 41.9840 174.2834 17 A 3.2882 7.2877 122.4038 52.4960 14.9805 176.1940 18 A 4.6705 7.3690 123.7705 49.7184 21.9843 177.4134 19 K 4.3610 8.0607 115.1497 54.6218 32.8827 176.0309 20 R 4.1015 8.2824 123.1554 56.6055 30.1251 176.0626 21 Q 4.6697 8.2578 115.3390 54.5507 30.9790 174.8305 22 A 4.3345 8.0594 119.2369 53.0981 21.4049 176.4769 23 S 4.0958 8.1483 114.4421 59.2047 62.9880 171.9505 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 8.43 4.30 0.00 1.97 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 2.21 2.30 0.00 2 T 7.41 4.08 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 3 P 0.00 4.26 0.00 2.18 2.16 0.00 3.60 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 2.12 2.17 0.00 4 A 7.68 4.01 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 5 Q 8.03 3.96 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 6 R 8.05 3.90 0.00 2.08 1.93 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 7 Q 7.70 4.07 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 8 A 7.65 4.13 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 9 R 8.02 3.89 0.00 2.08 2.22 0.00 2.80 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 10 L 7.50 4.01 0.00 1.85 1.80 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.29 4.64 0.00 1.80 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.61 4.67 0.00 1.78 1.87 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 13 M 8.41 4.39 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 14 S 8.49 4.84 0.00 3.82 3.81 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 15 A 8.20 4.58 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 16 Y 7.68 4.82 0.00 2.79 2.88 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 17 A 7.29 3.29 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 18 A 7.37 4.67 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 19 K 8.06 4.36 0.00 1.78 1.76 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.38 7.81 20 R 8.28 4.10 0.00 1.92 1.98 0.00 2.98 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 21 Q 8.26 4.67 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 22 A 8.06 4.33 1.24 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 0.00 0.00 23 S 8.15 4.10 0.00 4.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00