NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3493 8.2644 123.5901 51.9637 19.3314 176.3452 5 H 4.3497 8.7646 123.0589 55.8751 30.6281 173.3308 6 F 4.8515 8.2429 126.3252 56.9291 43.1710 172.6619 7 F 4.0808 6.9400 127.2903 56.1429 41.9761 173.9308 8 E 3.9164 7.3767 129.1246 54.6502 28.4186 175.8378 9 G 3.8360 8.3730 116.2293 48.2391 0.0000 172.9651 10 T 3.8476 7.8701 116.4753 64.0820 68.7768 173.4478 11 E 4.5636 8.5636 125.3277 54.8783 31.4967 175.2469 12 K 4.5055 8.3304 120.0142 54.6202 33.7149 175.8356 13 L 4.6926 8.4428 125.1389 52.8570 44.3449 174.9437 14 L 4.7240 8.4823 126.9351 53.0308 44.4443 174.8835 15 E 4.5993 8.7413 125.6361 54.2859 32.2828 174.5648 16 V 4.3918 8.2333 124.7234 60.6919 34.5051 174.1291 17 W 4.6043 8.7249 126.1526 54.9411 30.9727 175.4288 18 F 4.9206 8.7321 121.6916 56.2840 40.7087 174.5055 19 S 4.6595 8.2673 115.5857 57.6941 65.4452 173.5048 20 R 4.5626 8.2497 120.0331 54.3507 31.7924 174.8223 21 Q 3.9744 9.0391 127.2486 57.3903 29.8930 175.7269 22 Q 3.2693 8.0889 114.9198 56.5879 27.2000 172.3807 23 P 4.3206 0.0000 0.0000 65.2426 31.9389 177.4659 *27 Q 4.0767 7.9447 116.4200 55.2906 30.1765 175.9449 28 G 4.0329 8.1123 103.5002 45.3346 0.0000 173.7747 29 S 4.1114 8.3093 113.2024 59.1942 63.3520 175.6740 30 G 3.9069 8.9443 107.0874 45.4344 0.0000 172.2878 31 D 4.6731 8.1131 119.0060 52.2302 44.3569 176.3994 32 L 4.0794 8.6758 126.4399 57.7391 41.8947 179.1622 33 R 4.3025 8.4326 116.7647 58.4578 30.0330 177.9301 34 T 4.0442 7.6345 114.0032 65.6912 68.6875 175.1594 35 I 3.5585 7.4947 123.1706 60.3763 37.5525 174.4314 36 P 4.4300 0.0000 0.0000 62.1206 32.1536 177.3561 37 R 4.1886 8.7587 120.8080 59.8012 29.9524 178.9308 38 S 4.1234 8.1370 113.5365 61.6928 62.6645 176.3483 39 E 3.8886 7.8509 121.5140 58.8149 29.1419 179.1995 40 W 4.4963 7.7706 118.5736 59.8182 28.9072 178.0768 41 D 4.4163 8.2444 118.1735 57.4869 40.5149 178.6671 42 I 3.8643 7.6050 119.8062 64.2383 37.0905 178.2039 43 L 3.9885 8.1437 121.2966 58.2859 42.0528 178.9661 44 L 4.2478 8.2962 118.2060 56.8298 41.6090 179.4996 45 K 3.9987 7.7616 119.0491 59.6676 31.7885 178.9393 46 D 4.4168 7.5717 116.4912 57.1519 40.7811 178.5867 47 V 3.7176 7.6171 117.0941 63.4066 32.0121 175.2537 48 Q 3.6686 8.5626 115.7831 56.5775 25.8376 172.2045 49 C 5.0630 7.8446 110.1409 57.4833 33.4872 172.9969 50 S 4.7535 9.1207 113.1253 56.7845 66.5850 173.2572 51 I 4.5086 8.3758 122.1428 61.4668 36.9888 175.9578 52 I 4.5447 8.7315 119.1168 60.8879 39.5866 175.4550 53 S 4.7043 7.7811 116.3718 57.1521 65.8888 172.8522 54 V 4.6519 8.1614 124.3719 61.4934 34.6278 174.4431 55 T 4.5999 8.8566 123.8271 61.7006 72.1897 172.9073 56 K 4.9247 8.7203 125.3213 54.7319 34.9588 175.3482 57 T 4.7126 8.4204 113.0545 59.3807 71.9918 173.6841 58 D 4.4869 8.7649 120.6356 57.0151 40.8061 178.1109 59 K 4.3711 7.8898 116.3839 57.3221 33.3508 176.1502 60 Q 4.6088 7.8024 114.6831 54.8769 31.4764 172.6066 61 E 4.9986 8.6323 117.9178 54.4890 32.2045 175.2245 62 A 4.8509 8.9448 126.1108 50.2560 22.0155 174.6647 63 Y 5.0890 8.6114 118.2040 56.1381 41.5576 175.0482 64 V 4.3396 8.6325 123.2912 61.4633 33.5864 174.9185 65 L 5.3416 8.4655 126.5999 53.3125 44.8379 175.3116 66 S 4.6464 8.8151 113.7047 56.7162 66.3522 173.6417 67 E 4.1925 8.7934 124.9329 56.5238 29.4978 176.1611 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 4 A 8.26 4.35 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 5 H 8.76 4.35 0.00 3.25 3.28 0.00 5.74 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 6 F 8.24 4.85 0.00 2.93 2.84 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 7 F 6.94 4.08 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 3.92 0.00 1.89 1.54 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 2.23 2.29 0.00 9 G 8.37 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 10 T 7.87 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 11 E 8.56 4.56 0.00 1.94 1.87 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 2.27 2.52 0.00 12 K 8.33 4.51 0.00 1.72 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 L 8.44 4.69 0.00 1.54 1.52 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.48 4.72 0.00 1.58 1.49 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.74 4.60 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 16 V 8.23 4.39 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 0.00 0.00 0.89 0.00 0.00 17 W 8.72 4.60 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.92 0.00 3.05 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 19 S 8.27 4.66 0.00 4.00 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 20 R 8.25 4.56 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 21 Q 9.04 3.97 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.41 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 Q 8.09 3.27 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 23 P 0.00 4.32 0.00 2.21 2.22 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 *27 Q 7.94 4.08 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 28 G 8.11 4.03 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 0.00 0.00 0.00 29 S 8.31 4.11 0.00 3.98 3.98 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 30 G 8.94 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 31 D 8.11 4.67 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.08 0.00 1.81 1.84 1.02 0.63 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 33 R 8.43 4.30 0.00 1.96 2.06 0.00 3.19 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.63 4.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 35 I 7.49 3.56 1.66 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 -0.32 0.00 0.00 36 P 0.00 4.43 0.00 2.07 1.92 0.00 3.35 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 37 R 8.76 4.19 0.00 2.09 2.01 0.00 3.45 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 38 S 8.14 4.12 0.00 4.06 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 39 E 7.85 3.89 0.00 1.70 1.65 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 2.16 2.25 0.00 40 W 7.77 4.50 0.00 3.40 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 41 D 8.24 4.42 0.00 2.86 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 42 I 7.60 3.86 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.90 0.00 0.00 43 L 8.14 3.99 0.00 1.85 2.06 1.15 0.78 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 44 L 8.30 4.25 0.00 1.76 1.89 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.76 4.00 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.64 7.81 46 D 7.57 4.42 0.00 2.86 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 47 V 7.62 3.72 2.23 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 0.87 0.00 0.00 0.95 0.00 0.00 48 Q 8.56 3.67 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.44 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 49 C 7.84 5.06 0.00 3.13 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 50 S 9.12 4.75 0.00 3.86 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 51 I 8.38 4.51 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 1.15 0.00 0.00 52 I 8.73 4.54 1.88 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 1.24 0.71 0.92 0.00 0.00 53 S 7.78 4.70 0.00 3.87 3.67 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 54 V 8.16 4.65 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.96 0.00 0.00 55 T 8.86 4.60 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 56 K 8.72 4.92 0.00 1.55 1.63 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.25 7.81 57 T 8.42 4.71 4.22 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 1.18 0.00 0.00 58 D 8.76 4.49 0.00 2.69 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.37 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 60 Q 7.80 4.61 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 61 E 8.63 5.00 0.00 1.87 1.70 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 2.16 2.29 0.00 62 A 8.94 4.85 1.12 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 63 Y 8.61 5.09 0.00 2.63 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.63 4.34 2.09 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 1.03 0.00 0.00 0.92 0.00 0.00 65 L 8.47 5.34 0.00 1.55 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.82 4.65 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.79 4.19 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.