1HIS A 1 999.90 102.33 179.61 179.50-108.35 999.90 999.90 0.00 0.00 34.39 31.21 4.424 5.932 2 5 13.649 16.042 2MET A 2 -130.12 150.67-178.82 -62.81 177.99 178.20 999.90 0.00 0.00 34.61 23.11 5.258 6.354 3 7 17.519 17.676 3PRO A 3 -69.74 154.27-178.88 26.19 999.90 999.90 999.90 0.00 0.00 38.29 64.22 5.577 6.561 5 7 15.881 18.889 4LYS A 4 S -81.53 152.95 177.78 -61.38-175.52 178.67-175.14 0.00 0.00 34.43 1.32 6.778 2.206 4 7 20.238 6.353 5SER A 5 S 47.52 87.45 179.16 59.65 999.90 999.90 999.90 0.00 0.00 32.94 74.33 4.615 5.096 4 9 12.255 17.899 6PRO A 6 -69.44 97.99 177.87 -12.43 999.90 999.90 999.90 0.00 0.00 38.04 73.35 4.121 6.736 5 15 13.354 18.464 7GLN A 7 -91.40 4.74-177.60 59.28 173.62 88.56 999.90 -1.06 0.00 34.48 62.45 7.336 6.267 4 16 19.086 17.039 8LYS A 8 -67.94 132.22 176.28 -48.82 176.66-173.38 -58.81 0.00 0.00 35.13 33.34 2.107 4.663 6 22 5.615 14.028 9PRO A 9 e -65.42 135.86-173.27 23.23 999.90 999.90 999.90 0.00 0.00 38.19 75.22 3.682 5.720 8 26 10.796 17.965 10ILE A 10 E-123.62 161.11 174.43 61.17 170.69 999.90 999.90 0.00 0.00 34.70 71.45 5.927 5.394 10 32 15.717 16.678 11VAL A 11 E-127.12 131.92-176.41-176.15 999.90 999.90 999.90 -1.96 0.00 34.19 63.53 6.241 3.416 15 42 17.626 12.790 12ARG A 12 E-100.96 105.14-179.24 -59.83 177.61-178.16 113.84 -1.92 0.00 34.57 34.34 3.908 3.411 12 38 13.506 12.478 13VAL A 13 E -99.60 119.08 177.69-178.93 999.90 999.90 999.90 -2.94 0.00 34.70 24.24 4.326 6.909 11 52 14.402 19.269 14PHE A 14 E -92.13 113.51-178.22 -72.29 -87.52 999.90 999.90 -2.71 0.00 33.64 4.43 4.244 5.375 12 36 12.784 15.625 15LEU A 15 E -91.14 169.15 175.09 -58.89 177.38 999.90 999.90 -1.30 0.00 34.84 22.31 4.580 1.111 11 42 14.658 3.954 16PRO A 16 T -55.26 165.29-178.41 -25.07 999.90 999.90 999.90 0.00 0.00 38.46 74.32 6.971 6.926 8 36 19.109 18.928 17ASN A 17 T 59.83 28.76 178.87 -60.59 151.89 999.90 999.90 0.00 0.00 33.58 34.22 6.017 7.748 4 23 17.227 20.619 18LYS A 18 T 63.29 22.96 177.77 -59.01 173.86 62.66 66.09 0.00 0.00 33.84 72.25 4.355 6.764 6 21 14.043 19.793 19GLN A 19 E -82.81 168.33 177.99 -57.74 -61.78 -28.90 999.90 -1.52 0.00 34.65 4.21 4.367 3.482 7 29 14.128 11.219 20ARG A 20 E-156.43 161.75 175.46 60.98 175.90-178.82 141.26 0.00 0.00 34.11 31.15 6.664 3.371 8 33 18.723 9.742 21THR A 21 E-150.41 151.08-177.63 178.98 999.90 999.90 999.90 -2.27 0.00 33.93 20.12 6.920 3.407 9 40 19.154 10.766 22VAL A 22 E-127.52 119.61-179.71-179.30 999.90 999.90 999.90 0.00 0.00 34.21 73.33 4.549 5.715 8 38 12.043 16.003 23VAL A 23 E-120.38 144.51 177.57 -63.79 999.90 999.90 999.90 -1.59 0.00 34.00 60.32 6.306 7.117 9 40 17.418 18.049 24PRO A 24 E -65.56 132.66-179.39 -16.87 999.90 999.90 999.90 0.00 0.00 38.24 53.22 6.686 5.775 8 36 19.233 17.362 25ALA A 25 e -73.97 117.65-178.01 999.90 999.90 999.90 999.90 -2.39 0.00 33.86 0.00 5.050 2.396 13 35 17.796 4.188 26ARG A 26 -130.37 143.55 174.97 -55.68 172.76 177.34 123.11 0.00 0.00 35.24 43.04 4.254 4.245 8 29 12.685 13.399 27CYS A 27 S -79.41 140.99-176.64-178.27 999.90 999.90 999.90 0.00 0.00 34.15 64.12 5.766 5.317 8 25 16.229 15.578 28GLY A 28 S 89.08 -25.29 177.11 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 3.379 0.000 5 22 9.845 0.000 29VAL A 29 -87.91 117.54-179.63-179.51 999.90 999.90 999.90 0.00 0.00 34.41 32.41 5.936 5.627 10 27 16.940 15.992 30THR A 30 h -80.15 156.91 174.51 67.94 999.90 999.90 999.90 -0.63 0.00 34.61 52.42 5.327 7.310 12 34 16.202 19.284 31VAL A 31 H -54.75 -31.70 179.77-176.77 999.90 999.90 999.90 -2.27 0.00 34.54 5.44 5.095 3.909 12 52 14.217 13.307 32ARG A 32 H -70.18 -35.23 179.68-164.73 177.11 41.07 95.83 -2.62 0.00 34.99 74.23 4.704 4.333 10 45 14.532 13.636 33ASP A 33 H -80.27 -43.33-176.99 179.25 78.17 999.90 999.90 -0.55 0.00 34.55 22.14 3.578 2.155 8 37 11.723 5.873 34SER A 34 H -61.14 -49.81-176.79 60.80 999.90 999.90 999.90 -2.83 0.00 34.50 32.43 3.938 4.395 10 43 13.480 10.611 35LEU A 35 h -80.71 14.43-177.13 -59.22 178.43 999.90 999.90 -1.64 0.00 34.48 73.02 1.530 5.542 9 52 5.980 15.968 36LYS A 36 H -53.12 -48.30-179.28 62.89 168.20 67.07 70.09 -1.23 0.00 33.43 73.41 1.258 7.970 9 36 4.228 20.893 37LYS A 37 H -79.05 -29.76 179.45 65.08 174.37-177.63 176.57 -0.57 0.00 33.53 52.11 4.458 5.540 7 24 15.130 15.178 38ALA A 38 H -63.07 -46.29 176.12 999.90 999.90 999.90 999.90 0.00 0.00 34.06 0.00 5.282 3.918 8 40 13.822 7.325 39LEU A 39 H -68.18 -46.34-179.23 -59.12 176.05 999.90 999.90 -2.79 0.00 34.72 74.11 4.595 3.051 11 40 14.382 12.998 40MET A 40 H -50.93 -51.50-179.13-172.72-177.47 -54.59 999.90 -1.73 0.00 34.74 30.21 5.668 4.027 9 24 16.190 13.614 41MET A 41 H -63.41 -19.91 178.44 62.24 177.81 59.90 999.90 -2.45 0.00 33.85 33.05 7.452 6.785 7 19 19.879 18.913 42ARG A 42 h -98.91 -4.47-178.86 -57.73 -61.98 173.95 162.92 -1.16 0.00 34.54 53.53 6.052 4.793 6 29 15.780 13.731 43GLY A 43 T 76.89 25.81-178.34 999.90 999.90 999.90 999.90 -1.46 0.00 999.90 0.00 5.572 0.000 6 26 14.946 0.000 44LEU A 44 t-113.89 153.97 174.56 -59.86 175.64 999.90 999.90 -2.72 0.00 34.90 1.34 5.772 3.551 9 38 17.700 12.049 45ILE A 45 g-128.69 156.89-179.09 57.62 178.49 999.90 999.90 0.00 0.00 34.10 70.41 3.105 4.530 9 32 7.995 14.416 46PRO A 46 G -53.78 -42.87-179.59 14.52 999.90 999.90 999.90 0.00 0.00 38.10 4.21 4.560 4.535 9 37 12.179 13.782 47GLU A 47 G -67.65 -7.62-179.14 -54.92 179.66 -75.38 999.90 0.00 0.00 34.65 32.52 5.622 2.733 5 26 15.058 8.789 48CYS A 48 e-109.87 -2.45-176.05 177.37 999.90 999.90 999.90 -1.95 0.00 34.77 11.51 6.532 4.246 9 28 16.880 12.979 49CYS A 49 E-139.08 162.53 178.75 -58.20 999.90 999.90 999.90 -1.47 0.00 34.52 14.43 5.288 6.041 12 40 17.473 17.183 50ALA A 50 E-132.19 139.98 179.50 999.90 999.90 999.90 999.90 -2.96 0.00 33.86 0.00 4.890 0.453 13 37 13.518 1.046 51VAL A 51 E-107.95 135.19 175.12-177.88 999.90 999.90 999.90 -0.53 0.00 34.75 2.25 2.976 1.925 12 51 9.054 5.245 52TYR A 52 E-149.62 158.20 175.83 67.00 -83.20 999.90 999.90 -1.82 0.00 33.83 22.55 6.296 3.923 11 39 17.253 13.121 53ARG A 53 E-127.58 149.10 178.07 70.09 177.73-173.77-170.65 -1.96 0.00 33.88 51.55 4.163 3.991 12 33 12.136 12.714 54ILE A 54 E -92.85 95.64-175.00 -56.42-178.80 999.90 999.90 0.00 0.00 33.41 23.42 4.216 4.674 9 22 11.834 14.350 55GLN A 55 E-104.46 109.14 179.57-176.96-176.77 -29.66 999.90 -2.86 0.00 34.94 14.21 6.062 4.508 7 19 15.942 12.762 56ASP A 56 T 60.78 26.54-178.89-158.24 84.09 999.90 999.90 -0.68 0.00 33.94 52.21 6.117 8.030 4 12 17.134 20.870 57GLY A 57 T 100.55 -13.25-179.11 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 2.398 0.000 5 12 8.403 0.000 58GLU A 58 E -91.21 125.18 171.46 -59.95-175.22 83.81 999.90 -2.05 0.00 35.25 35.33 3.385 4.042 7 14 9.358 11.366 59LYS A 59 E -81.02 93.92-174.82 -65.83 167.86 58.56 176.18 0.00 0.00 34.16 12.11 7.517 4.223 8 18 19.958 13.162 60LYS A 60 E -99.70 115.57 177.18-177.92 60.08 178.82 -64.48 -2.68 0.00 34.53 1.55 7.242 5.875 8 23 21.482 17.959 61PRO A 61 E -62.55 127.18 178.72 -19.36 999.90 999.90 999.90 0.00 0.00 38.27 22.15 2.723 5.873 8 33 11.262 16.321 62ILE A 62 E-102.34 120.47 179.42 -55.92 176.16 999.90 999.90 -2.86 0.00 34.77 70.42 6.357 5.257 9 41 16.496 15.122 63GLY A 63 t -61.81 135.09-178.79 999.90 999.90 999.90 999.90 -0.56 0.00 999.90 0.00 3.688 0.000 7 35 12.206 0.000 64TRP A 64 T -55.72 -32.81-177.59 -76.14 93.56 999.90 999.90 0.00 0.00 34.50 0.52 5.054 3.234 10 40 13.782 11.617 65ASP A 65 T -84.62 11.75 176.41 -62.30 -87.11 999.90 999.90 0.00 0.00 33.97 30.12 7.481 3.048 8 29 20.531 10.472 66THR A 66 t -79.85 141.91 176.72 -53.93 999.90 999.90 999.90 -2.09 0.00 34.68 32.23 4.819 3.878 10 31 14.890 9.126 67ASP A 67 B -59.47 118.29-178.67 -61.33 88.36 999.90 999.90 0.00 0.00 34.40 2.10 6.095 2.447 12 33 16.197 7.817 68ILE A 68 G -57.34 -22.30 178.82-171.46 62.63 999.90 999.90 -2.74 0.00 33.86 4.21 5.153 2.439 14 43 14.629 11.119 69SER A 69 G -61.28 -23.89 177.02-173.66 999.90 999.90 999.90 -1.03 0.00 34.28 64.32 3.954 4.266 9 34 10.974 15.520 70TRP A 70 G -66.51 -22.46-173.36 -69.18 34.51 999.90 999.90 -2.34 0.00 34.87 4.24 5.124 4.669 7 37 15.409 13.184 71LEU A 71 G-108.02 30.11-177.45 -51.75 174.08 999.90 999.90 -1.81 0.00 34.99 44.31 6.529 7.509 9 45 19.117 20.241 72THR A 72 g -62.65 116.65 170.43 -59.91 999.90 999.90 999.90 -1.06 0.00 34.53 62.13 2.871 8.228 10 32 9.521 20.719 73GLY A 73 T 85.01 8.91-179.18 999.90 999.90 999.90 999.90 -2.87 0.00 999.90 0.00 6.251 0.000 8 29 16.841 0.000 74GLU A 74 e-115.48 167.34-177.01 59.58-171.79 83.83 999.90 -1.46 0.00 33.60 30.03 7.048 4.283 7 34 18.491 12.393 75GLU A 75 E-102.47 120.89 178.83 -65.40 64.25 50.86 999.90 0.00 0.00 34.57 52.54 2.435 5.527 9 41 8.191 16.610 76LEU A 76 E -94.03 143.77 176.85 -55.09-179.82 999.90 999.90 -2.79 0.00 34.96 42.24 5.920 4.245 11 51 17.431 11.769 77HIS A 77 E-109.03 109.47-179.15 -58.44 -86.40 999.90 999.90 -2.69 0.00 34.11 50.45 6.800 5.407 11 41 18.022 16.176 78VAL A 78 E-107.77 148.86 174.44-179.90 999.90 999.90 999.90 -2.34 0.00 34.41 2.02 5.842 3.460 12 47 17.462 14.595 79GLU A 79 E-147.21 160.24-177.51 63.74 173.68 -81.96 999.90 -2.10 0.00 33.68 50.45 4.565 6.022 9 43 14.598 17.231 80VAL A 80 E -83.29 132.25 175.00-177.05 999.90 999.90 999.90 0.00 0.00 34.31 53.14 5.466 4.732 9 35 14.939 14.338 81LEU A 81 e -68.34 -44.57 175.93 -66.14 175.74 999.90 999.90 -2.22 0.00 34.40 71.23 3.777 3.201 7 25 13.662 12.779 82GLU A 82 S -69.33 110.81-177.21 -60.84 -70.78 -88.87 999.90 -1.19 0.00 34.77 21.31 4.605 5.123 6 21 14.544 14.845 83ASN A 83 -74.80 64.59 178.48 -55.52 91.59 999.90 999.90 -0.67 0.00 33.78 71.22 5.920 5.517 5 16 16.701 16.692 84VAL A 84 -136.18 110.12 178.94 -70.86 999.90 999.90 999.90 -2.77 0.00 33.67 13.21 7.069 3.986 4 15 18.783 11.688 85PRO A 85 -84.53-176.90 175.65 4.48 999.90 999.90 999.90 0.00 0.00 38.38 73.33 3.393 6.005 3 17 8.935 17.552 86LEU A 86 -90.68 999.90 999.90 -68.27 -55.41 999.90 999.90 0.00 0.00 33.94 30.50 4.748 7.347 2 14 14.332 19.775