1HIS A 7 g 999.90 138.14-177.11-163.64 -89.21 999.90 999.90 0.00 0.00 34.85 11.92 12.085 12.828 4 13 1.442 0.467 2HIS A 8 G -58.27 -27.46-175.59 66.66 85.58 999.90 999.90 0.00 0.00 33.44 15.93 9.807 17.233 7 18 0.608 2.373 3SER A 9 G -70.63 -15.72 178.71 69.27 999.90 999.90 999.90 0.00 0.00 32.75 15.95 10.495 15.420 6 18 0.652 0.530 4HIS A 10 G -85.43 -6.68 171.68 -61.87-176.60 999.90 999.90 -2.24 0.00 33.97 16.03 7.765 17.112 5 20 0.603 3.250 5MET A 11 g -61.11 143.60 179.19 -67.73 999.90 999.90 999.90 -1.59 0.00 33.64 15.96 6.465 19.063 7 31 0.540 10.332 6LEU A 12 -53.64 141.68 175.00 -72.17 169.28 999.90 999.90 0.00 0.00 35.63 6.46 5.860 6.957 8 31 0.282 0.622 7PRO A 13 g -70.64 161.62-167.12 31.12 999.90 999.90 999.90 0.00 0.00 38.10 7.77 6.148 7.657 8 30 0.253 0.114 8PRO A 14 G -56.82 -39.12-175.70 -28.82 999.90 999.90 999.90 0.00 0.00 37.86 8.83 6.403 8.287 11 33 0.389 0.529 9GLU A 15 G -67.50 -13.27 177.96 69.58 -81.55 4.05 999.90 0.00 0.00 32.98 9.54 7.425 9.422 5 26 0.912 0.440 10GLN A 16 G -94.27 -2.41 178.56 -68.04 -60.54 -25.17 999.90 -2.24 0.00 33.79 6.63 6.483 6.760 7 30 0.891 0.657 11TRP A 17 g -76.99 127.35 169.85 -76.53 68.08 999.90 999.90 -1.81 0.00 33.97 5.01 6.037 5.456 14 34 0.886 0.421 12SER A 18 h-110.44 179.44 174.20 70.46 999.90 999.90 999.90 0.00 0.00 35.92 6.33 4.975 6.415 10 33 0.333 0.085 13HIS A 19 H -60.68 -30.13 177.25 65.54 92.69 999.90 999.90 0.00 0.00 32.67 8.46 4.887 9.690 10 38 0.040 1.683 14THR A 20 H -67.61 -43.84 177.49 -61.29 999.90 999.90 999.90 0.00 0.00 34.89 6.64 4.650 6.367 7 34 0.287 0.504 15THR A 21 H -59.54 -44.80-179.10 -30.58 999.90 999.90 999.90 0.00 0.00 34.26 5.75 4.410 5.373 8 40 0.263 0.484 16VAL A 22 H -60.55 -49.34-176.95 171.78 999.90 999.90 999.90 -2.29 0.00 34.29 5.77 4.307 5.363 12 49 0.316 0.292 17ARG A 23 H -67.19 -34.56-179.84 72.39-172.05 -59.35 113.40 -2.49 0.00 32.18 7.86 4.622 8.157 9 49 0.522 0.679 18ASN A 24 H -67.87 -42.00 174.39 -73.69 -13.73 999.90 999.90 -2.39 0.00 32.90 5.13 5.005 5.495 8 33 0.274 0.436 19ALA A 25 H -62.38 -45.82-177.03 999.90 999.90 999.90 999.90 -2.35 0.00 34.78 0.00 5.105 6.010 8 50 0.217 0.000 20LEU A 26 H -59.03 -41.83-176.88 174.40 155.08 999.90 999.90 -2.82 0.00 34.00 10.40 7.140 10.535 8 54 0.815 1.865 21LYS A 27 H -69.69 -34.61 174.34 -66.52 158.21 59.24 179.30 -2.18 0.00 31.69 11.86 7.602 12.260 9 33 0.733 1.259 22ASP A 28 H -68.55 -38.79 177.26-175.93 67.16 999.90 999.90 -1.46 0.00 33.54 7.45 5.763 8.052 8 27 0.511 1.232 23LEU A 29 H -62.28 -39.65-174.14 -71.70 159.98 999.90 999.90 -2.53 0.00 35.07 7.40 5.240 8.315 9 35 0.449 1.640 24LEU A 30 h -74.89 -6.45 170.46 -74.59 174.11 999.90 999.90 -2.41 0.00 33.14 7.16 5.955 8.655 10 30 0.991 1.772 25LYS A 31 T -69.45 -26.56-174.50 -73.48 174.36 166.16-174.76 -0.98 0.00 35.16 7.11 7.660 8.054 7 17 1.468 0.640 26ASP A 32 T-118.87 3.39 172.24 -66.90 -34.92 999.90 999.90 -1.75 0.00 35.91 11.87 9.800 11.775 6 18 1.128 0.673 27MET A 33 t-153.41 159.84 179.76 67.83 999.90 999.90 999.90 -0.57 0.00 34.14 18.98 10.225 19.820 8 22 0.606 5.608 28ASN A 34 h -88.97 170.34-176.03 64.70 42.94 999.90 999.90 0.00 0.00 31.82 16.08 9.620 16.590 8 25 0.936 2.200 29GLN A 35 H -60.36 -37.39 178.65 -73.38-176.66 39.68 999.90 0.00 0.00 34.99 11.64 8.805 13.268 10 30 0.159 2.137 30SER A 36 H -62.65 -45.32 178.58 173.69 999.90 999.90 999.90 0.00 0.00 34.68 20.47 11.612 18.310 7 26 0.820 2.160 31SER A 37 H -63.24 -42.31 178.82 -64.65 999.90 999.90 999.90 0.00 0.00 34.38 16.77 10.032 14.950 8 25 0.540 1.820 32LEU A 38 H -61.60 -42.55 179.00-179.84 58.52 999.90 999.90 -2.45 0.00 34.20 8.91 7.762 9.358 11 37 0.584 0.828 33ALA A 39 H -62.82 -35.07 178.28 999.90 999.90 999.90 999.90 -2.36 0.00 33.74 0.00 9.052 9.930 12 34 1.063 0.000 34LYS A 40 H -66.12 -35.70-176.15 -65.39 -50.06 -70.61 177.91 -1.74 0.00 33.02 21.13 11.338 29.396 6 24 1.802 10.156 35GLU A 41 H -80.13 -41.16-159.04 -63.67 -76.40 -4.84 999.90 -1.88 0.00 36.44 12.84 9.420 12.832 6 31 0.447 1.453 36CYS A 42 h-115.80 172.69-173.93 85.30 999.90 999.90 999.90 -2.64 0.00 33.95 6.65 6.985 6.920 9 40 0.710 0.270 37PRO A 43 S -81.03 -0.69 178.31 2.32 999.90 999.90 999.90 0.00 0.00 37.39 13.07 6.193 10.600 9 40 0.733 1.852 38LEU A 44 S -84.33 143.58 176.91 -53.28-179.28 999.90 999.90 0.00 0.00 35.36 6.97 6.322 8.003 9 47 0.386 1.413 39SER A 45 h -77.15 163.88 174.95 66.13 999.90 999.90 999.90 0.00 0.00 35.70 7.40 6.230 7.290 7 32 0.124 0.110 40GLN A 46 H -55.01 -42.13-177.35 -58.04 172.87 -41.58 999.90 0.00 0.00 35.17 16.48 7.160 22.246 9 28 0.453 7.695 41SER A 47 H -67.05 -41.63-179.45-178.72 999.90 999.90 999.90 0.00 0.00 34.53 18.57 7.553 15.625 6 26 0.679 2.945 42MET A 48 H -67.48 -40.68 177.11-179.05 999.90 999.90 999.90 0.00 0.00 32.65 10.50 6.097 11.173 8 39 0.318 3.357 43ILE A 49 H -59.85 -46.64-179.18 -70.76 165.07 999.90 999.90 -2.55 0.00 33.11 6.18 5.420 6.592 11 45 0.424 0.832 44SER A 50 H -60.88 -42.48 180.00 177.35 999.90 999.90 999.90 -2.36 0.00 34.93 11.85 6.867 10.510 9 33 0.389 1.340 45SER A 51 H -62.72 -43.33 176.85-177.48 999.90 999.90 999.90 -2.28 0.00 33.51 12.87 6.720 11.550 9 29 0.246 1.320 46ILE A 52 H -62.28 -42.17 178.72 -64.78 168.66 999.90 999.90 -2.34 0.00 32.62 6.90 6.422 7.428 10 40 0.525 0.837 47VAL A 53 H -63.91 -43.08-165.51 168.08 999.90 999.90 999.90 -2.41 0.00 33.49 8.79 6.155 8.013 7 36 0.436 0.739 48ASN A 54 H-100.20 -28.73-171.39 -74.79 -73.79 999.90 999.90 -2.58 0.00 35.37 6.20 5.495 6.715 6 20 0.712 0.721 49SER A 55 h -67.71 149.87 171.23-177.44 999.90 999.90 999.90 -2.73 0.00 34.30 10.15 6.243 9.385 8 20 0.293 0.765 50THR A 56 S -89.35 -0.68 179.75 59.72 999.90 999.90 999.90 0.00 0.00 34.43 8.24 6.137 8.327 4 14 0.249 0.559 51TYR A 57 S-113.51 162.71 179.73 -56.42 -81.98 999.90 999.90 0.00 0.00 35.52 11.21 7.358 14.446 4 16 0.519 3.459 52TYR A 58 -61.32 156.87-176.29 77.15 86.14 999.90 999.90 0.00 0.00 33.04 9.84 9.050 11.165 6 23 0.835 0.806 53ALA A 59 -89.45 134.79 169.24 999.90 999.90 999.90 999.90 0.00 0.00 35.26 0.00 11.990 14.270 8 32 1.355 0.000 54ASN A 60 -91.24 108.72 179.75-150.92 -97.18 999.90 999.90 0.00 0.00 33.05 27.54 15.050 27.592 5 30 0.885 1.831 55VAL A 61 -133.63 121.55-179.56-173.42 999.90 999.90 999.90 -0.77 0.00 35.59 9.98 11.722 10.503 8 38 1.252 0.465 56SER A 62 h -62.68 157.26 175.01 67.43 999.90 999.90 999.90 0.00 0.00 35.01 9.58 7.448 9.415 6 28 0.558 0.165 57ALA A 63 H -55.42 -44.90-179.42 999.90 999.90 999.90 999.90 0.00 0.00 34.31 0.00 7.765 10.270 8 25 0.353 0.000 58ALA A 64 H -58.37 -43.39-177.65 999.90 999.90 999.90 999.90 0.00 0.00 34.80 0.00 6.925 9.500 6 25 0.861 0.000 59LYS A 65 H -71.30 -37.73 174.19-178.45 64.00 65.94-179.59 0.00 0.00 33.37 5.56 5.035 6.168 10 37 0.494 0.590 60CYS A 66 H -57.31 -45.70-178.68 -72.68 999.90 999.90 999.90 -2.67 0.00 34.70 7.88 5.297 7.235 14 39 0.288 0.645 61GLN A 67 H -66.98 -41.13 177.68 -67.27-165.01 14.42 999.90 -2.42 0.00 33.82 10.37 5.760 12.804 13 34 0.278 3.109 62GLU A 68 H -59.91 -46.01 178.23-165.95-175.81 7.51 999.90 -2.31 0.00 34.73 6.99 5.017 7.540 10 36 0.441 1.293 63PHE A 69 H -62.82 -46.54 179.35-175.11 -87.76 999.90 999.90 -2.84 0.00 34.62 5.38 4.550 6.029 13 48 0.424 0.568 64GLY A 70 H -61.56 -39.17 173.13 999.90 999.90 999.90 999.90 -2.68 0.00 999.90 0.00 5.693 0.000 13 44 0.487 0.000 65ARG A 71 H -60.54 -46.50 178.51-159.50 169.46 -41.07 -95.14 -2.47 0.00 34.55 16.57 6.697 26.553 10 36 0.323 10.164 66TRP A 72 H -60.17 -46.34-172.54 164.50 78.41 999.90 999.90 -2.26 0.00 33.97 6.58 6.395 7.481 10 39 0.497 0.902 67TYR A 73 H -64.14 -45.11 179.39-178.33 80.22 999.90 999.90 -3.05 0.00 36.17 5.46 5.677 6.641 9 44 0.281 1.022 68LYS A 74 H -63.27 -40.40 179.62-171.42 162.09-172.50 175.08 -2.24 0.00 33.72 10.19 7.267 12.296 12 34 1.057 2.561 69HIS A 75 H -67.41 -39.97 179.50 179.43 80.74 999.90 999.90 -1.96 0.00 34.48 11.52 9.017 12.065 8 25 0.761 1.019 70PHE A 76 H -61.55 -43.87 178.57 179.22 75.42 999.90 999.90 -2.91 0.00 34.58 11.81 9.635 14.474 7 35 0.992 2.625 71LYS A 77 H -66.89 -34.02 177.91 -66.37 -68.17-173.99 167.65 -2.54 0.00 33.17 10.86 11.075 14.118 7 26 1.765 3.167 72LYS A 78 H -68.77 -38.22-170.12 171.04 179.90 173.76 168.93 -1.85 0.00 35.92 20.05 13.148 28.690 7 16 1.268 10.310 73THR A 79 h 62.50 999.90 999.90 -54.99 999.90 999.90 999.90 -2.43 0.00 30.69 27.37 27.005 28.667 4 15 5.820 1.230