NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1203 8.0093 120.7866 60.9570 39.0590 178.2034 2 T 4.3995 8.7865 105.4176 59.0570 70.4296 171.4014 3 A 4.6671 8.8700 127.5219 50.3185 23.4014 176.6318 4 K 4.3087 8.2536 119.0356 55.2948 32.9080 175.6545 5 P 4.4347 0.0000 0.0000 61.7444 31.9307 176.6041 6 A 4.0626 8.4111 123.2736 52.6905 18.6733 178.3997 7 K 4.1931 8.7298 122.6562 59.0054 32.7976 177.7802 8 T 4.6221 7.3566 107.1794 58.0407 68.2948 171.0716 9 P 4.0657 0.0000 0.0000 64.5342 31.8228 177.1278 10 T 4.5377 8.2348 118.8928 61.9178 68.2768 175.2843 11 S 4.3598 8.6256 122.6326 57.2304 64.9887 173.1768 12 P 4.1802 0.0000 0.0000 65.7313 31.0383 178.6185 13 K 3.8455 8.0121 117.5253 59.7889 32.0713 178.3098 14 E 3.9759 7.8571 118.6692 59.5656 29.3370 179.5438 15 Q 3.9157 8.3492 117.8686 58.9001 28.8227 178.4818 16 A 3.9389 8.2711 122.1398 55.3874 18.3232 179.8279 17 I 3.8009 7.9762 118.3481 64.2170 37.2899 178.9334 18 G 3.5505 8.2181 106.9074 47.6423 0.0000 175.5553 19 L 3.8053 8.3984 123.3765 57.7353 42.0941 179.0671 20 S 4.0187 7.7786 114.9995 61.8256 62.8475 177.0187 21 V 3.6812 7.9450 120.7041 66.1246 30.6408 178.2216 22 T 4.0077 7.9020 115.2337 66.7138 68.3585 176.4240 23 F 4.2363 8.5743 119.6131 60.9111 39.0278 177.8166 24 L 4.1504 8.2987 118.5968 57.8909 41.2171 179.7871 25 S 4.2565 8.2054 113.0385 60.8412 62.4379 176.2063 26 F 4.2712 8.0034 120.6834 60.1557 39.0944 177.9948 27 L 4.2179 8.4766 119.0000 57.5045 41.4833 179.4140 28 L 4.0385 8.0437 118.9441 57.4790 41.7011 177.6671 29 P 4.2844 0.0000 0.0000 65.6769 31.2288 178.5858 30 A 4.2237 7.6848 116.3631 55.1373 18.2765 179.8651 31 G 3.6669 8.4110 104.3744 47.5857 0.0000 175.6265 32 W 4.2322 8.5050 130.6617 60.3683 30.5960 178.1558 33 V 3.8195 7.8967 116.1440 66.3105 31.4897 177.6932 34 L 4.1731 8.3763 118.8737 57.8772 41.1703 178.9131 35 Y 3.9831 8.3112 119.3117 60.4446 38.6591 176.7735 36 H 4.3038 7.6243 115.1907 55.6568 29.0305 177.1485 37 L 4.0423 7.3511 122.4624 58.1646 41.5039 178.9279 38 D 4.2555 7.8688 118.2506 56.7773 38.8690 178.0863 39 N 4.1915 7.2458 116.8699 55.9509 39.1827 175.7022 40 Y 4.6038 7.6131 118.1115 60.1157 38.3694 177.9292 41 K 4.1088 8.0049 118.0855 59.1347 32.2263 178.4690 42 K 4.2065 7.5449 115.4031 56.4117 31.9225 177.2458 43 S 4.2975 7.8177 121.3365 59.0282 63.2430 169.8194 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 I 8.01 4.12 1.87 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 1.47 1.34 0.91 0.00 0.00 2 T 8.79 4.40 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 A 8.87 4.67 1.21 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 0.00 0.00 4 K 8.25 4.31 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.43 0.00 2.04 1.97 0.00 3.69 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 2.02 2.07 0.00 6 A 8.41 4.06 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 7 K 8.73 4.19 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.36 4.62 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 9 P 0.00 4.07 0.00 2.19 2.13 0.00 3.75 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 1.99 2.02 0.00 10 T 8.23 4.54 4.23 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 1.20 0.00 0.00 11 S 8.63 4.36 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.16 2.14 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 13 K 8.01 3.85 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 14 E 7.86 3.98 0.00 2.15 1.98 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 2.32 2.35 0.00 15 Q 8.35 3.92 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 16 A 8.27 3.94 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 17 I 7.98 3.80 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.90 0.00 0.00 18 G 8.22 3.55 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 0.00 0.00 0.00 19 L 8.40 3.81 0.00 1.59 1.42 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.78 4.02 0.00 4.09 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.68 2.10 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 1.06 0.00 0.00 1.03 0.00 0.00 22 T 7.90 4.01 4.55 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 1.42 0.00 0.00 23 F 8.57 4.24 0.00 3.21 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 24 L 8.30 4.15 0.00 2.12 1.79 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.21 4.26 0.00 4.03 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 0.00 26 F 8.00 4.27 0.00 3.31 3.10 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 27 L 8.48 4.22 0.00 1.74 1.77 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.04 4.04 0.00 1.73 1.74 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.16 2.08 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 30 A 7.68 4.22 1.40 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 0.00 0.00 31 G 8.41 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 0.00 0.00 0.00 32 W 8.51 4.23 0.00 3.54 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.82 2.29 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 1.07 0.00 0.00 1.34 0.00 0.00 34 L 8.38 4.17 0.00 1.88 1.75 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.31 3.98 0.00 2.96 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 36 H 7.62 4.30 0.00 2.41 2.19 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.35 4.04 0.00 1.86 1.64 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.87 4.26 0.00 2.82 2.83 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 0.00 0.00 0.00 39 N 7.25 4.19 0.00 2.34 2.39 0.00 0.00 7.19 7.24 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 40 Y 7.61 4.60 0.00 3.08 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 41 K 8.00 4.11 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 42 K 7.54 4.21 0.00 1.71 1.81 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.76 1.57 7.81 43 S 7.82 4.30 0.00 4.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00