NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5112 8.3044 120.3232 55.2430 34.4895 175.6006 2 L 4.4281 7.5497 127.4811 54.7474 41.2429 172.6683 3 E 4.3941 9.3537 118.4824 54.6827 31.9131 174.8578 4 P 4.2586 0.0000 0.0000 64.8957 31.4958 177.4665 5 F 4.5921 8.5817 121.1293 60.6467 39.8332 177.4475 6 Q 3.7423 7.9527 118.6161 58.8552 29.1790 177.7747 7 I 3.7953 7.6885 118.8474 62.9578 37.9519 177.3979 8 L 3.9710 7.4730 121.0538 58.1589 42.0180 178.5370 9 S 4.0333 7.7351 114.5498 61.7037 62.6973 176.6988 10 I 3.6888 7.5499 121.6775 64.4531 37.0363 178.2458 11 S 4.1309 7.8046 115.4878 62.1210 62.8015 177.0961 12 S 4.0989 8.4029 115.6213 61.1975 62.0410 175.8125 13 F 3.9342 8.4633 123.6800 61.5418 39.2788 177.1036 14 I 3.8010 8.4149 119.7421 64.3169 36.8409 178.2836 15 L 3.9431 7.7651 120.6572 58.1259 41.9996 178.7635 16 S 4.0249 8.3836 115.3943 61.7872 62.7912 176.8958 17 A 3.8836 7.4212 122.4910 54.9556 18.1699 179.1160 18 L 3.9108 7.6557 118.4935 58.8999 42.1207 178.8121 19 H 4.2086 8.7391 118.2852 59.0117 29.5322 176.8051 20 F 4.0686 8.0338 121.6238 61.5735 39.5445 176.8940 21 I 3.7306 8.1238 118.9745 64.3668 36.9446 178.0944 22 A 3.9874 8.1612 121.5663 55.1974 17.9668 179.6317 23 W 3.9945 8.0443 126.8101 60.9769 30.7617 178.5152 24 T 3.6775 7.7413 115.7045 66.2667 67.7845 176.8571 25 I 3.7775 7.5151 121.3545 64.2494 37.3164 178.4439 26 G 3.4970 7.8443 105.1634 47.8955 0.0000 174.9066 27 H 3.8089 7.9808 120.7695 58.7761 29.3637 177.0977 28 L 3.8263 7.4901 121.7710 58.2076 41.6108 178.6351 29 N 4.3224 7.8721 115.5996 56.1688 38.4297 177.1192 30 Q 4.0128 7.4637 118.8096 58.5003 29.6618 177.7877 31 I 4.0692 6.9408 117.6612 60.7443 37.8152 175.6454 32 K 4.2565 7.6978 122.2125 58.0306 33.7759 175.7104 33 R 4.0790 7.9311 120.4634 56.6344 29.9251 176.2905 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 M 8.30 4.51 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 L 7.55 4.43 0.00 1.70 1.32 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.35 4.39 0.00 2.11 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 0.00 2.45 2.30 0.00 4 P 0.00 4.26 0.00 2.10 2.15 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 5 F 8.58 4.59 0.00 3.05 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 6 Q 7.95 3.74 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 7 I 7.69 3.80 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.93 0.00 0.00 8 L 7.47 3.97 0.00 1.91 1.65 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.74 4.03 0.00 3.71 3.77 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 10 I 7.55 3.69 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.90 0.00 0.00 11 S 7.80 4.13 0.00 4.00 3.95 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 0.00 0.00 0.00 12 S 8.40 4.10 0.00 3.86 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 13 F 8.46 3.93 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.41 3.80 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.95 0.00 0.00 15 L 7.77 3.94 0.00 1.86 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.38 4.02 0.00 3.59 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 3.88 1.16 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 0.00 0.00 18 L 7.66 3.91 0.00 1.82 1.87 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.74 4.21 0.00 3.19 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.03 4.07 0.00 3.13 3.28 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 0.00 21 I 8.12 3.73 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.93 0.00 0.00 22 A 8.16 3.99 1.42 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 0.00 0.00 23 W 8.04 3.99 0.00 3.28 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 24 T 7.74 3.68 4.18 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 1.13 0.00 0.00 25 I 7.52 3.78 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.86 0.00 0.00 26 G 7.84 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 0.00 0.00 0.00 27 H 7.98 3.81 0.00 1.98 2.86 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.49 3.83 0.00 1.77 1.67 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.87 4.32 0.00 2.81 2.79 0.00 0.00 7.00 6.94 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 30 Q 7.46 4.01 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.49 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 31 I 6.94 4.07 1.76 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 1.13 0.71 0.84 0.00 0.00 32 K 7.70 4.26 0.00 1.78 1.74 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.39 7.81 33 R 7.93 4.08 0.00 1.80 1.82 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00