NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7677 8.3544 109.7358 45.4541 0.0000 173.3899 2 S 4.3383 8.3378 117.6489 55.3789 62.2981 172.1457 3 S 4.0875 8.7418 123.6255 61.8414 62.9693 173.9003 4 G 4.3509 8.2216 111.6175 45.1677 0.0000 173.3444 5 S 4.6872 7.4484 115.3742 56.5436 67.2092 174.1295 6 S 4.7081 8.4537 119.2838 57.1219 67.0857 174.1042 7 G 4.3796 8.1637 112.9436 43.5110 0.0000 169.7699 8 P 4.5513 0.0000 0.0000 63.0156 32.2117 175.5138 9 C 5.0893 8.6273 118.0498 56.5466 33.7429 172.3204 10 C 5.2907 8.4481 112.5683 56.5026 33.3221 172.4735 11 R 4.7996 8.1732 119.2945 54.3788 32.6482 174.4765 12 A 4.3002 7.8874 128.3224 51.6677 19.1971 178.1975 13 L 3.9736 8.7458 122.8089 56.7664 42.4260 175.8584 14 Y 5.0275 7.5395 114.4858 57.4370 42.9286 172.8841 15 D 5.3915 9.0427 118.9081 53.5255 43.2469 175.9028 16 F 4.8463 8.2174 123.2864 56.5615 42.7381 172.9403 17 E 4.3026 7.8391 125.1498 53.4216 31.5306 174.1105 18 P 4.0598 0.0000 0.0000 62.8098 32.1196 175.8307 19 E 4.3859 8.7485 120.8583 56.8529 31.3662 175.8684 20 N 5.1046 7.6671 114.1885 50.5800 41.8982 173.4827 21 E 4.0208 8.6174 119.6108 58.6793 30.4734 175.7922 22 G 4.1215 9.4888 112.2203 46.1090 0.0000 173.3838 23 E 3.8404 7.0979 116.9623 55.3555 29.8195 177.1542 24 L 4.5153 8.2713 126.0746 53.0592 42.1525 175.2575 25 G 3.5698 8.4452 112.8466 46.7883 0.0000 170.4016 26 F 5.2860 7.6314 119.8933 55.1299 41.9617 173.9612 27 K 5.2781 8.5282 116.0449 54.1355 36.4467 174.6919 28 E 4.1155 8.5606 126.1824 60.3284 29.3228 175.5302 29 G 4.1240 8.5092 118.7275 46.1680 0.0000 173.6241 30 D 4.4449 8.7736 121.6186 54.2607 41.7759 176.0900 31 I 4.3646 8.3393 125.0290 60.9579 38.3508 175.3492 32 I 4.1575 8.0263 128.2021 59.7320 38.4355 175.7747 33 T 4.1672 8.5246 124.0811 64.0015 69.8405 172.9715 34 L 5.3164 8.0561 122.3128 53.6797 43.5462 175.4738 35 T 4.5315 9.1527 112.8445 63.0664 70.8373 173.5240 36 N 4.9546 7.8748 117.2760 51.9732 43.6913 172.8081 37 Q 4.9683 8.5713 120.1876 54.7282 31.7767 174.3997 38 I 3.9572 8.4197 125.0284 62.4736 38.3972 175.0523 39 D 4.7714 7.5037 117.3665 52.2782 43.1881 175.0568 40 E 4.2438 8.5242 116.6985 57.5418 30.3265 176.4096 41 N 4.8540 8.3756 115.1010 52.3266 41.0352 173.6256 42 W 4.9303 8.0587 117.6702 55.0324 33.2099 173.5385 43 Y 5.0813 8.1012 118.0233 56.4706 42.4607 173.7576 44 E 5.5644 9.1360 120.0328 55.2745 33.1362 174.8609 45 G 4.8024 8.5294 110.6744 47.2999 0.0000 171.1203 46 M 5.3048 8.7544 119.1558 53.3636 34.4482 176.0183 47 L 4.4461 8.6157 125.0652 54.8496 45.0975 175.5143 48 H 4.1859 9.6797 123.1041 57.0385 26.1832 175.2735 49 G 3.8870 8.5111 103.6880 46.4150 0.0000 173.5989 50 H 4.8350 8.2364 116.8340 53.4340 31.3585 172.8134 51 S 5.1521 8.1967 119.0537 56.3237 64.0072 173.2130 52 G 4.0533 8.4318 110.6049 44.8646 0.0000 170.3807 53 F 6.3000 8.3279 117.5424 55.5115 41.5948 175.4562 54 F 5.6679 8.6882 115.7129 54.4130 41.5776 172.2375 55 P 3.7725 0.0000 0.0000 63.0032 31.2772 176.1029 56 I 4.1637 7.8111 121.1495 62.3725 38.4396 177.1975 57 N 4.5332 8.0006 117.1913 54.1974 38.5324 174.6565 58 Y 4.7223 7.7689 116.0170 57.7844 41.1536 175.8806 59 V 4.8111 7.8513 110.2392 59.2935 35.0120 174.6147 60 E 4.6325 8.5997 122.7628 54.5374 32.3988 175.1552 61 I 4.2628 8.3912 127.6633 60.6617 36.7355 175.5258 62 L 4.1545 8.1506 128.7184 56.6820 42.3571 177.8728 63 V 4.3464 7.5255 118.2388 60.4682 33.2902 175.5019 64 A 4.0537 8.6473 131.7312 51.8103 17.4633 176.9463 65 L 4.1178 8.5151 123.2021 54.3532 42.2901 176.7866 66 P 4.3719 0.0000 0.0000 65.1077 31.6942 176.3889 67 H 3.9004 7.1317 116.6336 56.8917 30.0189 173.9924 68 S 4.7076 8.5630 121.1235 56.8587 65.8918 173.0045 69 G 3.7636 8.4362 106.9253 43.3860 0.0000 171.5660 70 P 4.4349 0.0000 0.0000 62.8677 31.9277 175.5370 71 S 4.4411 8.4150 113.9960 56.9252 65.3043 173.3144 72 S 4.0099 8.4562 116.5726 58.8856 61.6233 174.6397 73 G 3.7508 8.3474 115.6963 46.0654 0.0000 171.5763 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 G 8.35 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 0.00 0.00 0.00 2 S 8.34 4.34 0.00 3.90 3.80 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 3 S 8.74 4.09 0.00 3.86 3.86 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 0.00 0.00 0.00 4 G 8.22 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 0.00 0.00 0.00 0.00 5 S 7.45 4.69 0.00 3.82 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 6 S 8.45 4.71 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 4.38 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 0.00 8 P 0.00 4.55 0.00 2.07 2.17 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 9 C 8.63 5.09 0.00 2.92 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 10 C 8.45 5.29 0.00 3.26 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 11 R 8.17 4.80 0.00 1.83 1.72 0.00 3.03 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 12 A 7.89 4.30 1.04 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 0.00 0.00 13 L 8.75 3.97 0.00 1.38 1.13 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.54 5.03 0.00 3.24 2.96 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 0.00 0.00 0.00 0.00 15 D 9.04 5.39 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.85 0.00 2.09 1.45 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 17 E 7.84 4.30 0.00 1.56 1.55 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 2.01 2.07 0.00 18 P 0.00 4.06 0.00 2.05 2.06 0.00 3.45 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 19 E 8.75 4.39 0.00 2.04 2.05 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 2.19 2.31 0.00 20 N 7.67 5.10 0.00 2.73 2.67 0.00 0.00 7.19 7.73 0.00 0.00 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 E 8.62 4.02 0.00 1.92 1.88 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 2.29 2.31 0.00 22 G 9.49 4.12 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 0.00 0.00 0.00 23 E 7.10 3.84 0.00 2.08 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 2.53 2.59 0.00 24 L 8.27 4.52 0.00 1.72 2.02 1.02 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.45 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 5.29 0.00 3.07 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 5.28 0.00 2.03 1.75 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 28 E 8.56 4.12 0.00 1.90 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 2.30 2.34 0.00 29 G 8.51 4.12 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 0.00 0.00 0.00 30 D 8.77 4.44 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 4.36 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.96 0.00 0.00 32 I 8.03 4.16 1.42 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.92 -0.11 0.00 0.00 33 T 8.52 4.17 4.25 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 1.23 0.00 0.00 34 L 8.06 5.32 0.00 1.65 1.47 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 T 9.15 4.53 4.30 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 1.28 0.00 0.00 36 N 7.87 4.95 0.00 2.69 2.76 0.00 0.00 6.49 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.57 4.97 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 38 I 8.42 3.96 1.30 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.40 0.55 0.00 0.00 39 D 7.50 4.77 0.00 2.37 2.82 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 40 E 8.52 4.24 0.00 2.08 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 2.26 2.26 0.00 41 N 8.38 4.85 0.00 2.64 2.54 0.00 0.00 6.59 7.40 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 42 W 8.06 4.93 0.00 2.89 3.04 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 43 Y 8.10 5.08 0.00 1.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 5.56 0.00 2.15 2.04 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 2.60 2.68 0.00 45 G 8.53 4.80 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 46 M 8.75 5.30 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 47 L 8.62 4.45 0.00 1.63 1.47 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 48 H 9.68 4.19 0.00 3.41 3.40 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.51 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 0.00 0.00 0.00 50 H 8.24 4.84 0.00 3.36 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.20 5.15 0.00 3.94 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 52 G 8.43 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 0.00 0.00 0.00 0.00 53 F 8.33 6.30 0.00 3.27 3.18 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 0.00 54 F 8.69 5.67 0.00 3.47 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 55 P 0.00 3.77 0.00 1.87 1.18 0.00 4.06 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.14 0.00 56 I 7.81 4.16 1.62 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.46 0.91 0.00 0.00 57 N 8.00 4.53 0.00 2.37 2.49 0.00 0.00 6.54 7.33 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 58 Y 7.77 4.72 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.85 4.81 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 0.32 0.00 0.00 1.22 0.00 0.00 60 E 8.60 4.63 0.00 1.95 1.72 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 2.16 2.36 0.00 61 I 8.39 4.26 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.08 0.90 0.00 0.00 62 L 8.15 4.15 0.00 1.46 1.70 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.53 4.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 64 A 8.65 4.05 1.25 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 0.00 0.00 65 L 8.52 4.12 0.00 1.70 1.63 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.37 0.00 2.18 2.19 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 67 H 7.13 3.90 0.00 3.10 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.56 4.71 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.44 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.43 0.00 2.20 2.07 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 71 S 8.42 4.44 0.00 3.98 3.86 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 0.00 0.00 0.00 72 S 8.46 4.01 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00