NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4059 8.1927 115.2898 58.2932 64.5916 175.5725 2 E 3.7946 7.9892 120.4257 58.3215 29.2712 176.7211 3 A 4.1151 8.7182 120.6993 54.1289 19.4030 178.6075 4 L 4.1462 7.7162 117.4376 57.6042 41.9432 178.9096 5 K 4.0858 8.0327 117.8013 58.3677 32.2035 177.6724 6 I 3.7932 7.6269 119.4578 63.6274 37.7741 176.4400 7 L 4.3766 7.8433 117.6756 54.6905 41.3337 176.2644 8 N 4.3332 8.5802 116.5281 54.1748 38.2153 169.1720 9 N 4.3899 7.7144 121.9561 52.0109 39.5945 175.5030 10 I 3.7435 8.4202 116.9321 63.9511 36.9836 178.2618 11 R 3.8757 7.9734 116.8624 59.8465 29.2817 178.1252 12 T 4.1061 7.7934 113.4126 63.7559 67.4516 176.0190 13 L 3.8846 7.7621 121.9913 58.2774 42.1329 178.7709 14 R 3.5860 8.3397 118.6791 59.2818 29.5470 178.2143 15 A 4.0591 7.6877 119.3385 54.8726 19.1590 179.0433 16 Q 4.0421 8.2809 114.9554 59.1887 28.8977 178.0090 17 A 4.2676 8.8406 124.0268 53.0666 18.6253 179.0093 18 R 3.9635 7.3502 117.0478 58.9547 30.0691 176.1011 19 E 4.6143 7.8474 115.2564 55.7875 30.5632 175.6200 20 S 4.5042 8.0203 114.9008 59.9102 66.1354 174.5466 21 T 4.3245 8.0423 116.1311 62.8736 69.4889 175.7165 22 L 4.0829 8.4379 124.0945 57.9930 40.2530 178.6923 23 E 3.3047 8.2871 120.8121 59.6215 29.2970 178.4421 24 T 3.8714 7.6427 109.6886 64.9058 68.3905 176.1963 25 L 3.9164 8.9058 123.6194 58.6100 40.3784 178.8605 26 E 3.7481 8.1078 118.5845 58.3425 29.6784 178.0506 27 E 4.1132 8.2322 119.5702 59.1750 29.9507 178.0288 28 M 4.0684 8.4757 118.5883 57.7422 32.5691 178.4158 29 L 3.9662 8.4481 120.9949 58.0844 42.1227 178.6171 30 E 3.9578 8.1720 118.7478 59.0246 29.6344 178.4731 31 K 4.1063 7.4573 115.5462 58.4054 31.8586 178.8519 32 L 4.2895 8.3795 121.2791 57.4043 41.8473 178.4759 33 E 4.1407 8.1946 117.7686 58.9831 30.0174 179.1796 34 V 3.6552 7.5369 113.7970 63.7674 31.3966 178.8318 35 V 3.5961 8.3235 119.7082 64.9858 31.0331 178.8577 36 V 3.7121 7.5142 118.9329 63.1719 31.4995 177.6512 37 N 4.2911 8.2089 118.9655 56.9225 38.7290 176.5650 38 E 3.9878 8.1032 119.7369 59.5774 29.6042 179.6544 39 R 3.9523 7.7334 118.0428 59.0081 29.6267 179.3938 40 R 3.9428 9.4104 118.6249 59.0902 29.6670 178.6609 41 E 3.8650 8.1462 116.7334 58.6641 29.9044 178.5478 42 E 4.2869 8.3721 119.5570 58.7528 29.8173 178.5836 43 E 3.9451 8.5326 119.0228 59.5531 29.7041 179.2454 44 S 4.1465 7.6790 112.5462 61.3324 62.2315 176.2361 45 A 3.9710 7.5000 123.6584 55.0473 18.0896 179.4382 46 A 3.9056 8.3849 119.5815 55.1693 18.4293 179.7370 47 A 3.8960 8.4916 119.5118 55.2777 18.2587 179.7854 48 A 3.9402 7.6648 117.7882 55.1004 18.5171 179.2046 49 E 4.0185 8.1570 116.9780 59.6500 29.8640 179.2218 50 V 3.6532 7.8571 111.2800 60.6981 31.9366 178.7619 51 E 3.6946 8.7229 117.4892 56.7906 29.8437 172.5905 52 E 4.7945 9.0306 114.7433 57.1300 36.3033 175.6392 53 R 4.0271 8.2838 117.7329 59.3369 30.3620 176.9511 54 T 4.0834 7.8034 107.1512 61.7060 69.4739 172.3628 55 R 4.3125 8.8543 125.6885 55.9058 33.2510 175.1683 56 K 3.6702 8.8229 115.6372 57.0878 29.5832 174.8687 57 L 3.9409 8.0570 124.1653 55.6884 42.9758 173.5048 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 S 8.19 4.41 0.00 3.87 3.92 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 0.00 2 E 7.99 3.79 0.00 2.16 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 2.37 2.43 0.00 3 A 8.72 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.15 0.00 1.82 1.71 0.92 0.60 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 5 K 8.03 4.09 0.00 1.75 1.92 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 6 I 7.63 3.79 2.04 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 1.35 0.93 0.91 0.00 0.00 7 L 7.84 4.38 0.00 1.89 1.88 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.58 4.33 0.00 2.90 2.90 0.00 0.00 7.20 7.78 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 9 N 7.71 4.39 0.00 2.98 2.83 0.00 0.00 6.82 6.87 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 10 I 8.42 3.74 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 1.69 1.33 0.91 0.00 0.00 11 R 7.97 3.88 0.00 1.98 2.12 0.00 3.02 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 12 T 7.79 4.11 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 1.39 0.00 0.00 13 L 7.76 3.88 0.00 1.92 1.64 0.97 0.68 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 14 R 8.34 3.59 0.00 1.94 2.00 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 A 7.69 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.04 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 17 A 8.84 4.27 1.39 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 18 R 7.35 3.96 0.00 1.97 2.21 0.00 3.25 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 E 7.85 4.61 0.00 2.11 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 2.38 2.28 0.00 20 S 8.02 4.50 0.00 3.92 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 21 T 8.04 4.32 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 1.25 0.00 0.00 22 L 8.44 4.08 0.00 1.87 1.93 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.29 3.30 0.00 2.05 2.03 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 2.39 2.42 0.00 24 T 7.64 3.87 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 1.27 0.00 0.00 25 L 8.91 3.92 0.00 1.82 1.96 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.11 3.75 0.00 1.98 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 0.00 2.29 2.46 0.00 27 E 8.23 4.11 0.00 2.12 2.07 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 2.29 2.38 0.00 28 M 8.48 4.07 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 29 L 8.45 3.97 0.00 1.71 1.81 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.17 3.96 0.00 2.07 2.11 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 2.38 2.40 0.00 31 K 7.46 4.11 0.00 1.88 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.56 7.81 32 L 8.38 4.29 0.00 1.84 1.83 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.19 4.14 0.00 2.29 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 0.00 2.26 2.59 0.00 34 V 7.54 3.66 2.08 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 1.00 0.00 0.00 0.95 0.00 0.00 35 V 8.32 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 36 V 7.51 3.71 2.08 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 1.02 0.00 0.00 0.93 0.00 0.00 37 N 8.21 4.29 0.00 2.91 3.02 0.00 0.00 7.38 7.41 0.00 0.00 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 E 8.10 3.99 0.00 2.08 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 0.00 2.33 2.53 0.00 39 R 7.73 3.95 0.00 2.00 1.97 0.00 3.16 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 40 R 9.41 3.94 0.00 2.12 1.97 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 41 E 8.15 3.86 0.00 2.23 2.20 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 2.60 2.38 0.00 42 E 8.37 4.29 0.00 2.09 2.02 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 2.30 2.49 0.00 43 E 8.53 3.95 0.00 2.14 2.00 0.00 0.00 0.00 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 2.44 0.00 44 S 7.68 4.15 0.00 3.85 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 45 A 7.50 3.97 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 46 A 8.38 3.91 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 47 A 8.49 3.90 1.36 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 0.00 0.00 0.00 48 A 7.66 3.94 1.36 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 0.00 0.00 0.00 49 E 8.16 4.02 0.00 2.02 2.14 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 2.32 2.39 0.00 50 V 7.86 3.65 2.08 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 0.78 0.00 0.00 1.00 0.00 0.00 51 E 8.72 3.69 0.00 2.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 52 E 9.03 4.79 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 53 R 8.28 4.03 0.00 1.81 1.94 0.00 3.29 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 54 T 7.80 4.08 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 55 R 8.85 4.31 0.00 1.87 2.01 0.00 3.19 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 56 K 8.82 3.67 0.00 1.91 1.92 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.40 7.81 57 L 8.06 3.94 0.00 1.73 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00