NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4415 8.2649 123.5895 52.6185 20.4783 175.6706 2 S 4.2338 8.2253 113.2940 57.7675 66.5409 174.3194 3 C 3.4954 8.7225 125.9712 57.4779 38.4886 174.9908 4 W 4.1004 7.3685 125.9027 59.2050 28.0747 177.9211 5 A 4.1233 6.5740 121.2399 54.4932 17.2919 179.1358 6 Q 3.9300 7.2593 115.0602 59.8444 28.5166 178.5228 7 S 4.2202 7.7047 113.5053 61.3235 62.3106 175.7990 8 Q 4.5033 8.1335 118.7867 57.9490 29.0866 175.8444 9 G 3.9032 7.5471 108.0119 45.7408 0.0000 173.3192 10 Y 4.4727 8.0624 117.6872 56.3922 40.3953 175.5815 11 N 4.8897 8.1073 121.0561 53.7199 41.4342 173.6575 12 C 4.9898 8.2930 118.8682 56.3483 44.4351 174.8336 13 C 4.5644 8.1289 121.5707 56.5223 40.5468 173.5581 14 N 4.8987 8.7582 121.0400 54.0669 38.7415 174.5153 15 N 4.1687 9.1413 118.2089 53.6780 34.9952 172.0258 16 P 4.5490 0.0000 0.0000 64.7053 32.2472 178.9360 17 S 4.5536 8.0022 113.4499 60.1180 62.7586 174.6017 18 S 4.6524 7.8322 115.3411 58.5939 64.1901 174.3708 19 T 4.4346 7.9823 118.3935 61.1083 68.6747 173.6497 20 K 3.8026 8.7401 124.9276 56.6597 32.4118 177.1731 21 V 4.7658 8.4663 123.6403 62.8363 31.9696 175.0703 22 E 4.7732 9.2860 125.5009 56.7362 31.7387 175.2460 23 Y 4.6299 8.0293 120.2093 56.5084 41.8385 174.7007 24 T 4.4153 6.4559 113.1081 63.7239 71.9039 172.2683 25 D 4.2873 8.3250 127.4669 53.2704 44.5156 175.8949 26 A 4.0367 8.4570 121.6907 54.8012 18.3113 178.4120 27 S 4.1259 7.8394 111.0562 58.0888 64.3619 174.0988 28 G 3.3921 7.6828 108.5032 43.9235 0.0000 175.3074 29 Q 5.1969 8.5462 121.9574 53.7956 32.9976 173.0885 30 W 5.4047 9.2623 120.9164 55.1314 33.5682 174.1593 31 G 4.7853 9.1550 106.1144 44.9582 0.0000 171.7762 32 V 4.4927 8.5140 121.3838 61.0341 33.5168 175.2596 33 Q 4.3966 8.4994 125.2749 55.9600 33.0011 174.4403 34 N 3.9679 9.6704 118.8986 54.0079 37.5545 173.9142 35 G 3.7783 8.2377 102.6644 46.2392 0.0000 173.6078 36 Q 4.4605 7.7034 116.1467 53.3494 31.4471 174.1111 37 W 5.0773 8.6479 120.7060 56.9894 30.3235 174.0736 38 C 5.3544 9.6065 117.8614 53.5225 45.7080 173.1178 39 G 2.7959 8.2477 108.6217 45.0892 0.0000 172.6294 40 I 4.5870 7.5560 127.5763 60.2963 37.7238 175.2102 41 D 5.1266 8.4259 125.3834 52.8137 44.4965 175.5488 42 Y 4.3864 8.9518 122.6506 61.3163 38.1692 177.0960 43 S 4.3067 8.2060 112.6135 59.4862 63.1552 173.7396 44 Y 4.3629 7.8385 122.8316 57.4019 37.4247 175.5172 45 G 3.5077 8.1563 114.7251 45.9975 0.0000 171.0991 46 Q 4.0666 7.8695 122.0710 55.9207 28.8747 175.5549 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 A 8.26 4.44 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.23 0.00 3.92 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 3 C 8.72 3.50 0.00 2.82 2.87 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 4 W 7.37 4.10 0.00 3.55 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 5 A 6.57 4.12 0.33 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 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.26 3.93 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 7 S 7.70 4.22 0.00 4.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 4.50 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.02 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 9 G 7.55 3.90 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 0.00 0.00 0.00 10 Y 8.06 4.47 0.00 3.05 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.11 4.89 0.00 2.86 2.66 0.00 0.00 7.20 7.55 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 12 C 8.29 4.99 0.00 2.25 1.84 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 13 C 8.13 4.56 0.00 2.83 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.76 4.90 0.00 2.79 2.87 0.00 0.00 7.65 8.07 0.00 0.00 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 9.14 4.17 0.00 2.86 2.85 0.00 0.00 7.13 8.02 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 16 P 0.00 4.55 0.00 2.47 2.44 0.00 3.79 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 17 S 8.00 4.55 0.00 3.84 3.82 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 18 S 7.83 4.65 0.00 3.86 3.82 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 19 T 7.98 4.43 4.35 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 1.34 0.00 0.00 20 K 8.74 3.80 0.00 1.81 1.99 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 21 V 8.47 4.77 2.21 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 1.27 0.00 0.00 1.18 0.00 0.00 22 E 9.29 4.77 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 23 Y 8.03 4.63 0.00 1.57 2.33 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 0.00 0.00 0.00 0.00 24 T 6.46 4.42 4.05 0.00 0.00 0.00 0.00 0.00 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 25 D 8.32 4.29 0.00 2.53 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.04 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 27 S 7.84 4.13 0.00 4.22 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.68 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 5.20 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 30 W 9.26 5.40 0.00 3.02 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.51 4.49 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 -0.38 0.00 0.00 33 Q 8.50 4.40 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.93 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 34 N 9.67 3.97 0.00 2.80 2.85 0.00 0.00 7.11 7.96 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 35 G 8.24 3.78 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 0.00 0.00 0.00 36 Q 7.70 4.46 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 37 W 8.65 5.08 0.00 3.52 3.35 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 38 C 9.61 5.35 0.00 3.02 3.21 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 39 G 8.25 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.59 2.27 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 1.10 0.00 0.00 41 D 8.43 5.13 0.00 2.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.95 4.39 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.21 4.31 0.00 4.12 4.08 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 44 Y 7.84 4.36 0.00 2.93 3.21 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 45 G 8.16 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.87 4.07 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00