NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1615 8.0093 120.7865 61.0929 39.1363 174.6317 2 T 4.5487 8.2053 116.5417 59.5786 71.8218 171.3599 3 A 4.6577 8.8757 125.4315 50.5194 23.1000 177.7243 4 K 4.1727 8.3859 119.8746 55.4285 32.7475 175.3712 5 P 4.4026 0.0000 0.0000 61.9901 31.2577 175.9471 6 A 4.0651 8.3728 121.8610 52.0994 18.4480 178.9104 7 K 4.2625 8.7548 123.6320 59.4972 32.7652 177.9361 8 T 4.6798 7.1761 108.3148 58.5323 68.6846 171.5912 9 P 4.1743 0.0000 0.0000 64.3400 31.9568 177.2737 10 T 4.5636 8.0942 117.2723 61.4697 68.8500 174.5030 11 S 4.2755 9.0071 122.2288 57.4068 63.9006 173.8916 12 P 4.1928 0.0000 0.0000 66.0392 30.9833 178.8294 13 K 3.8916 8.0126 116.3598 59.5594 32.0099 178.6401 14 E 3.9245 8.1561 118.4998 59.9436 29.4155 179.4919 15 Q 3.9856 8.2132 116.8861 59.1428 28.6100 179.1429 16 A 3.9086 8.0839 121.6463 54.9894 18.4253 179.5947 17 I 3.6979 7.8223 118.4722 64.6043 37.3068 178.7421 18 G 3.6975 8.3992 106.7500 47.9136 0.0000 175.3359 19 L 3.9048 8.2006 123.0203 57.7657 41.9486 179.1343 20 S 3.9456 8.1555 115.4497 61.5872 62.8083 176.5037 21 V 3.6197 8.3127 121.0349 66.5783 30.9181 178.0415 22 T 4.0350 7.9079 114.9041 66.9707 68.3138 176.4576 23 F 4.1447 8.5587 119.4591 60.5920 38.9561 177.7938 24 L 4.0995 8.4570 118.9744 57.9507 41.3247 179.7756 25 S 4.4537 8.2504 112.4309 61.0092 62.7673 175.8466 26 F 4.2649 7.8223 120.4561 59.6492 39.5132 177.4894 27 L 4.3419 8.3464 118.6702 57.4651 41.6406 178.7674 28 L 4.0827 8.7011 119.7458 56.7296 41.5709 177.2440 29 P 4.2814 0.0000 0.0000 66.0206 31.5012 178.5235 30 A 4.2077 8.1554 118.7566 55.0474 18.3870 179.5343 31 G 3.7094 8.1901 104.2874 47.7953 0.0000 175.4132 32 W 4.2138 8.8151 131.5296 60.2575 30.5797 177.8990 33 V 3.8024 8.1816 116.6927 66.4595 31.1503 177.7764 34 L 4.1908 8.6537 118.7966 57.7296 41.2204 178.7556 35 Y 4.0354 8.4129 119.3210 60.1377 38.7082 176.8289 36 H 4.3401 7.2652 115.1265 55.1909 29.0834 176.6825 37 L 4.0309 7.1551 123.9828 58.0442 41.3765 178.6935 38 D 4.2262 7.8020 117.0385 57.7480 40.9033 177.9355 39 N 4.0789 7.7799 114.5293 56.3856 38.5888 176.3992 40 Y 4.5518 7.0698 117.9927 60.8020 38.0468 178.0555 41 K 4.0749 8.0989 118.0977 58.8070 32.2256 178.7191 42 K 4.1551 8.1000 116.8202 56.4826 32.3513 177.0449 43 S 4.5062 8.0761 120.9493 58.8141 63.2019 168.8103 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 4.16 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 1.35 0.91 0.00 0.00 2 T 8.21 4.55 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 8.88 4.66 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 8.39 4.17 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 5 P 0.00 4.40 0.00 2.17 2.07 0.00 3.77 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 1.98 1.96 0.00 6 A 8.37 4.07 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 7 K 8.75 4.26 0.00 1.76 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 8 T 7.18 4.68 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 4.17 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 10 T 8.09 4.56 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 9.01 4.28 0.00 3.98 3.99 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 0.00 0.00 0.00 12 P 0.00 4.19 0.00 2.16 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 13 K 8.01 3.89 0.00 1.83 1.85 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.59 7.81 14 E 8.16 3.92 0.00 2.16 2.01 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 2.33 2.36 0.00 15 Q 8.21 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 16 A 8.08 3.91 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 7.82 3.70 2.04 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 0.75 0.91 0.00 0.00 18 G 8.40 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.20 3.90 0.00 1.70 1.46 0.73 -0.00 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 20 S 8.16 3.95 0.00 4.10 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 V 8.31 3.62 2.12 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 1.07 0.00 0.00 1.01 0.00 0.00 22 T 7.91 4.03 4.64 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 1.34 0.00 0.00 23 F 8.56 4.14 0.00 3.20 3.12 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 24 L 8.46 4.10 0.00 1.97 1.78 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.25 4.45 0.00 4.05 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 26 F 7.82 4.26 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.34 0.00 1.82 1.77 0.95 0.78 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 28 L 8.70 4.08 0.00 1.67 1.71 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.16 2.13 0.00 3.63 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 2.16 0.00 30 A 8.16 4.21 1.38 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 0.00 0.00 31 G 8.19 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.21 0.00 3.46 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 33 V 8.18 3.80 2.40 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 1.04 0.00 0.00 1.37 0.00 0.00 34 L 8.65 4.19 0.00 1.84 1.73 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.41 4.04 0.00 2.83 2.94 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 36 H 7.27 4.34 0.00 2.20 2.30 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 7.16 4.03 0.00 1.53 1.68 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.80 4.23 0.00 2.63 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.08 0.00 2.29 2.67 0.00 0.00 6.91 7.46 0.00 0.00 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 7.07 4.55 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 8.10 4.07 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.61 7.81 42 K 8.10 4.16 0.00 1.74 1.82 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.48 7.81 43 S 8.08 4.51 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00