#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgw s THR 3 N 0.00 2.70 0.37 -0.18 -4.23 -1.26 -4.82 115.64 108.22 3hgw s THR 3 Ca 0.00 0.29 0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3hgw s THR 3 Cb 0.00 -2.73 0.34 0.00 1.34 0.00 0.00 72.50 71.45 3hgw s THR 3 CO 0.00 -0.23 1.83 -0.65 -0.54 0.00 0.00 174.62 175.03 3hgw h PRO 4 N -0.66 0.58 -0.26 3.99 0.11 -2.00 -0.05 132.00 133.71 3hgw h PRO 4 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3hgw h PRO 4 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hgw h PRO 4 CO 0.50 0.38 -0.01 0.93 -0.21 0.00 0.00 178.00 179.59 3hgw h GLU 5 N 0.60 0.38 -0.01 1.05 3.07 -2.06 -3.03 114.58 114.57 3hgw h GLU 5 Ca 0.50 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3hgw h GLU 5 Cb 0.98 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3hgw h GLU 5 CO -0.25 0.43 -0.22 -0.25 -1.40 0.00 0.00 179.01 177.32 3hgw n ASP 6 N -4.32 1.67 -4.72 1.42 8.00 -0.09 -4.90 116.55 113.61 3hgw n ASP 6 Ca 0.01 -1.34 -0.42 0.00 0.71 0.00 0.00 54.79 53.74 3hgw n ASP 6 Cb 0.22 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3hgw n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hgw n THR 8 N 3.67 0.29 -3.69 0.00 -2.24 -1.26 -5.03 114.28 106.02 3hgw n THR 8 Ca 0.11 -0.65 0.01 0.00 -2.27 0.00 0.00 64.05 61.25 3hgw n THR 8 Cb 0.42 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3hgw n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hgw s GLY 9 N -1.02 -0.34 0.51 3.38 0.00 -1.26 -5.01 107.32 103.58 3hgw s GLY 9 Ca 0.18 0.52 0.24 0.00 0.00 0.00 0.00 44.72 45.66 3hgw s GLY 9 CO 0.16 1.06 1.97 1.41 0.00 0.00 0.00 173.10 177.71 3hgw h LEU 10 N 2.00 0.07 -0.36 0.66 3.38 -2.00 -2.77 115.31 116.28 3hgw h LEU 10 Ca -0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3hgw h LEU 10 Cb 1.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3hgw h LEU 10 CO 0.29 0.03 -0.05 0.00 0.09 0.00 0.00 178.44 178.80 3hgw h ALA 11 N 1.71 0.50 -0.41 1.53 0.00 -1.99 0.17 119.26 120.76 3hgw h ALA 11 Ca 0.29 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hgw h ALA 11 Cb 1.04 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3hgw h ALA 11 CO -0.02 0.32 0.12 -0.44 0.00 0.00 0.00 179.25 179.22 3hgw h ASP 12 N 0.48 0.08 -0.15 0.00 3.32 -1.90 -2.00 116.42 116.26 3hgw h ASP 12 Ca 0.10 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3hgw h ASP 12 Cb 0.54 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3hgw h ASP 12 CO 0.03 0.08 0.05 0.40 -1.72 0.00 0.00 179.24 178.08 3hgw h ILE 13 N 0.26 1.17 -0.77 0.35 2.04 -1.44 -1.43 117.51 117.69 3hgw h ILE 13 Ca 0.20 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3hgw h ILE 13 Cb 0.21 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 3hgw h ILE 13 CO -0.23 0.16 0.47 0.03 0.00 0.00 0.00 178.15 178.58 3hgw h ARG 14 N 0.07 0.86 -0.32 2.37 3.08 -0.83 0.03 114.38 119.64 3hgw h ARG 14 Ca 0.05 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3hgw h ARG 14 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3hgw h ARG 14 CO -0.00 0.57 -0.41 0.93 -1.07 0.00 0.00 179.97 179.98 3hgw h GLU 15 N 0.88 0.78 -0.83 0.04 4.39 -1.23 0.38 114.58 119.00 3hgw h GLU 15 Ca 0.33 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3hgw h GLU 15 Cb 0.12 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3hgw h GLU 15 CO -0.15 1.05 0.53 0.00 -1.16 0.00 0.00 179.01 179.27 3hgw h ALA 16 N 0.90 1.05 -0.49 3.43 0.00 -0.83 -0.45 119.26 122.86 3hgw h ALA 16 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3hgw h ALA 16 Cb 0.97 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hgw h ALA 16 CO 0.09 0.48 -0.05 0.82 0.00 0.00 0.00 179.25 180.60 3hgw h ILE 17 N 1.13 1.27 -0.12 0.00 2.04 -0.76 0.42 117.51 121.49 3hgw h ILE 17 Ca 0.30 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3hgw h ILE 17 Cb -0.09 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hgw h ILE 17 CO -0.06 0.40 -0.06 0.44 0.00 0.00 0.00 178.15 178.87 3hgw h ASP 18 N 0.75 -0.20 -0.86 1.72 3.32 -0.69 -0.57 116.42 119.89 3hgw h ASP 18 Ca 0.13 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hgw h ASP 18 Cb 0.58 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3hgw h ASP 18 CO 0.03 -0.08 0.54 -0.09 -1.72 0.00 0.00 179.24 177.92 3hgw h ARG 19 N -0.05 1.16 -0.55 3.56 9.65 -0.92 -1.64 114.38 125.59 3hgw h ARG 19 Ca 0.07 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 3hgw h ARG 19 Cb 0.16 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 3hgw h ARG 19 CO -0.15 0.79 0.04 0.82 2.80 0.00 0.00 179.97 184.27 3hgw h ILE 20 N 1.18 1.26 -0.47 1.20 2.04 -0.74 -1.84 117.51 120.14 3hgw h ILE 20 Ca 0.31 -1.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 3hgw h ILE 20 Cb -0.09 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3hgw h ILE 20 CO -0.06 0.37 -0.15 0.44 0.00 0.00 0.00 178.15 178.75 3hgw h ASP 21 N 0.82 0.90 -0.39 1.72 3.32 -0.89 -1.58 116.42 120.33 3hgw h ASP 21 Ca 0.16 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3hgw h ASP 21 Cb 0.48 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3hgw h ASP 21 CO 0.02 1.05 0.14 0.25 -1.72 0.00 0.00 179.24 178.98 3hgw h LEU 22 N 0.80 0.55 -0.73 1.55 5.85 -1.26 -0.87 115.31 121.19 3hgw h LEU 22 Ca 0.12 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.81 3hgw h LEU 22 Cb 0.69 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 3hgw h LEU 22 CO 0.05 0.59 0.18 0.44 -0.34 0.00 0.00 178.44 179.35 3hgw h ASP 23 N 0.48 0.02 -0.23 1.25 3.32 -1.02 0.63 116.42 120.87 3hgw h ASP 23 Ca 0.13 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3hgw h ASP 23 Cb 0.22 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3hgw h ASP 23 CO -0.01 -0.03 0.10 0.40 -1.72 0.00 0.00 179.24 177.98 3hgw h ILE 24 N 0.27 1.15 -0.18 0.35 2.04 -0.89 -0.14 117.51 120.11 3hgw h ILE 24 Ca 0.41 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3hgw h ILE 24 Cb 0.69 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3hgw h ILE 24 CO -0.50 0.15 0.08 0.58 0.00 0.00 0.00 178.15 178.46 3hgw h VAL 25 N 0.23 0.98 -0.45 1.67 2.07 -0.55 -0.12 116.25 120.08 3hgw h VAL 25 Ca 0.08 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3hgw h VAL 25 Cb 0.15 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3hgw h VAL 25 CO -0.01 0.03 0.12 1.56 0.02 0.00 0.00 177.57 179.29 3hgw h GLN 26 N 0.18 0.67 -0.60 1.57 4.20 -0.84 -0.04 115.11 120.25 3hgw h GLN 26 Ca 0.08 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3hgw h GLN 26 Cb 0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3hgw h GLN 26 CO -0.06 0.61 0.08 0.00 -0.67 0.00 0.00 178.83 178.79 3hgw h ALA 27 N 1.47 0.80 -0.27 3.87 0.00 -0.74 -1.43 119.26 122.96 3hgw h ALA 27 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hgw h ALA 27 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hgw h ALA 27 CO -0.00 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.69 3hgw h LEU 28 N 0.91 0.39 0.08 0.00 3.38 -0.48 0.43 115.31 120.02 3hgw h LEU 28 Ca 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hgw h LEU 28 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hgw h LEU 28 CO 0.01 0.50 -0.04 1.23 0.09 0.00 0.00 178.44 180.24 3hgw h GLY 29 N 0.80 -0.11 1.19 0.83 0.00 -0.73 -2.68 103.07 102.37 3hgw h GLY 29 Ca 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3hgw h GLY 29 CO 0.02 -0.04 0.30 3.21 0.00 0.00 0.00 176.54 180.02 3hgw h ARG 30 N -0.26 1.04 -0.96 4.80 3.08 -1.10 -2.64 114.38 118.34 3hgw h ARG 30 Ca -0.01 -0.17 0.14 0.00 0.07 0.00 0.00 59.98 60.01 3hgw h ARG 30 Cb 0.22 -0.18 -0.09 0.00 0.08 0.00 0.00 29.97 30.00 3hgw h ARG 30 CO 0.02 0.83 0.57 -0.09 -1.07 0.00 0.00 179.97 180.23 3hgw h ARG 31 N 1.02 0.83 -0.48 0.04 2.43 -0.84 -2.38 114.38 115.00 3hgw h ARG 31 Ca 0.24 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3hgw h ARG 31 Cb 0.17 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3hgw h ARG 31 CO -0.02 0.55 -0.15 1.98 -1.51 0.00 0.00 179.97 180.81 3hgw h MET 32 N 0.85 0.92 -0.53 0.20 4.05 -1.12 -1.50 114.93 117.82 3hgw h MET 32 Ca 0.50 -0.35 0.06 0.00 -0.28 0.00 0.00 59.70 59.63 3hgw h MET 32 Cb 0.60 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 3hgw h MET 32 CO -0.31 1.01 0.23 -0.44 0.23 0.00 0.00 176.91 177.63 3hgw h ASP 33 N 0.82 0.29 -0.31 1.39 3.32 -1.39 -1.49 116.42 119.04 3hgw h ASP 33 Ca 0.12 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 3hgw h ASP 33 Cb 0.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3hgw h ASP 33 CO 0.05 0.19 -0.37 1.88 -1.72 0.00 0.00 179.24 179.28 3hgw h TYR 34 N 0.44 0.97 -0.88 4.55 0.05 -1.33 -0.61 116.97 120.16 3hgw h TYR 34 Ca 0.25 -0.31 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3hgw h TYR 34 Cb 0.22 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 3hgw h TYR 34 CO -0.13 1.09 0.58 0.28 -1.05 0.00 0.00 178.16 178.93 3hgw h VAL 35 N 0.56 1.19 -0.28 -2.88 2.07 -1.19 0.64 116.25 116.36 3hgw h VAL 35 Ca 0.04 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 3hgw h VAL 35 Cb 0.96 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hgw h VAL 35 CO 0.09 0.21 -0.40 0.11 0.02 0.00 0.00 177.57 177.60 3hgw h LYS 36 N 1.16 0.67 -0.23 1.57 1.57 -1.11 -2.76 116.57 117.44 3hgw h LYS 36 Ca 0.33 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3hgw h LYS 36 Cb -0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hgw h LYS 36 CO -0.08 0.95 -0.05 0.00 -0.57 0.00 0.00 179.45 179.70 3hgw h ALA 37 N 1.00 1.50 -0.03 3.86 0.00 -0.44 -2.89 119.26 122.26 3hgw h ALA 37 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3hgw h ALA 37 Cb 0.93 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3hgw h ALA 37 CO 0.08 0.36 -0.59 0.00 0.00 0.00 0.00 179.25 179.11 3hgw h ALA 38 N 1.62 0.96 -0.14 0.00 0.00 -0.67 -3.05 119.26 117.98 3hgw h ALA 38 Ca 0.07 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3hgw h ALA 38 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hgw h ALA 38 CO 0.01 0.72 -0.54 0.77 0.00 0.00 0.00 179.25 180.22 3hgw h SER 39 N 0.08 0.45 -0.57 0.00 0.02 -1.29 -2.14 113.55 110.10 3hgw h SER 39 Ca -0.00 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3hgw h SER 39 Cb 1.06 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 3hgw h SER 39 CO 0.08 0.90 0.32 0.03 -1.14 0.00 0.00 176.83 177.02 3hgw h ARG 40 N 0.31 0.78 -0.20 3.45 3.08 -1.42 -0.36 114.38 120.03 3hgw h ARG 40 Ca 0.01 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 3hgw h ARG 40 Cb 1.05 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3hgw h ARG 40 CO 0.09 0.59 -0.38 0.74 -1.07 0.00 0.00 179.97 179.95 3hgw h PHE 41 N 0.76 0.76 -0.97 3.04 0.04 -1.52 -3.05 116.94 116.00 3hgw h PHE 41 Ca 0.20 -0.27 0.06 0.00 2.80 0.00 0.00 57.97 60.76 3hgw h PHE 41 Cb 0.03 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 37.97 3hgw h PHE 41 CO -0.02 1.02 0.63 0.87 -0.60 0.00 0.00 178.31 180.21 3hgw h LYS 42 N 0.27 1.13 -1.85 1.51 1.57 -1.34 -3.52 116.57 114.34 3hgw h LYS 42 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hgw h LYS 42 Cb 0.98 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3hgw h LYS 42 CO 0.08 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 3hgw n ALA 43 N -2.36 1.72 0.00 3.86 0.00 -0.15 -5.10 120.51 118.47 3hgw n ALA 43 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3hgw n ALA 43 Cb 0.16 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hgw n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hgw n ALA 56 N 1.05 0.00 -0.07 0.00 0.00 -1.26 -4.94 120.51 115.29 3hgw n ALA 56 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hgw n ALA 56 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 3hgw n ALA 56 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hgw h MET 57 N 0.00 0.40 -0.15 0.00 2.07 -2.04 -3.18 114.93 112.03 3hgw h MET 57 Ca 0.00 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.44 3hgw h MET 57 Cb 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 3hgw h MET 57 CO 0.00 0.71 0.06 -0.07 1.07 0.00 0.00 176.91 178.68 3hgw h LEU 58 N 0.08 0.21 -1.73 1.22 3.38 -1.97 -1.84 115.31 114.67 3hgw h LEU 58 Ca 0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hgw h LEU 58 Cb 0.60 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hgw h LEU 58 CO 0.03 0.32 0.15 -0.65 0.09 0.00 0.00 178.44 178.38 3hgw h PRO 59 N 0.09 0.33 -0.31 1.13 0.11 -2.00 -0.74 132.00 130.61 3hgw h PRO 59 Ca 0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3hgw h PRO 59 Cb 0.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3hgw h PRO 59 CO -0.00 0.23 0.14 1.49 -0.21 0.00 0.00 178.00 179.65 3hgw h GLU 60 N 0.34 0.46 0.00 1.05 4.81 -1.46 -1.73 114.58 118.05 3hgw h GLU 60 Ca 0.09 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3hgw h GLU 60 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3hgw h GLU 60 CO -0.02 0.44 -0.37 0.00 -0.73 0.00 0.00 179.01 178.34 3hgw h ARG 61 N 0.37 0.00 -0.35 1.92 3.08 -0.80 -1.75 114.38 116.85 3hgw h ARG 61 Ca 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3hgw h ARG 61 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hgw h ARG 61 CO -0.01 0.37 0.09 0.00 -1.07 0.00 0.00 179.97 179.35 3hgw h ALA 62 N 1.63 0.45 -0.18 0.04 0.00 -0.97 -1.41 119.26 118.83 3hgw h ALA 62 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hgw h ALA 62 Cb 0.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3hgw h ALA 62 CO 0.05 0.11 0.03 0.00 0.00 0.00 0.00 179.25 179.44 3hgw h ARG 63 N 0.40 0.10 -0.96 0.00 3.08 -0.93 -2.06 114.38 114.02 3hgw h ARG 63 Ca 0.11 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.22 3hgw h ARG 63 Cb 0.28 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 3hgw h ARG 63 CO -0.00 0.06 0.62 -1.49 -1.07 0.00 0.00 179.97 178.09 3hgw h TRP 64 N 0.10 1.12 -0.06 3.04 6.55 -1.28 -1.11 115.95 124.31 3hgw h TRP 64 Ca 0.08 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.96 3hgw h TRP 64 Cb 0.08 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.01 3hgw h TRP 64 CO -0.14 0.57 0.00 0.00 -1.05 0.00 0.00 178.44 177.82 3hgw h ALA 65 N 1.49 0.05 -0.92 1.49 0.00 -0.81 -2.16 119.26 118.39 3hgw h ALA 65 Ca 0.42 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.35 3hgw h ALA 65 Cb 0.22 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3hgw h ALA 65 CO -0.17 -0.48 0.61 0.93 0.00 0.00 0.00 179.25 180.14 3hgw h GLU 66 N 0.02 1.22 -0.06 0.00 5.08 -1.00 0.10 114.58 119.95 3hgw h GLU 66 Ca 0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hgw h GLU 66 Cb 0.03 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 3hgw h GLU 66 CO -0.04 0.81 0.04 0.93 -1.00 0.00 0.00 179.01 179.75 3hgw h GLU 67 N 1.25 0.01 -0.58 2.33 5.08 -0.98 -2.11 114.58 119.59 3hgw h GLU 67 Ca 0.34 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3hgw h GLU 67 Cb -0.14 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3hgw h GLU 67 CO -0.07 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.03 3hgw n ASN 68 N -4.52 4.93 -1.62 1.42 3.02 -0.79 -4.95 115.26 112.76 3hgw n ASN 68 Ca -0.02 -2.64 -0.13 0.00 -0.03 0.00 0.00 54.58 51.77 3hgw n ASN 68 Cb 0.14 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 38.72 3hgw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgw n GLY 69 N 0.79 -0.08 3.61 7.41 0.00 -0.79 -5.02 105.19 111.10 3hgw n GLY 69 Ca 0.26 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3hgw n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hgw s LEU 70 N -3.80 3.09 -0.20 0.99 1.43 0.30 -5.00 118.68 115.49 3hgw s LEU 70 Ca 0.08 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 3hgw s LEU 70 Cb -0.04 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3hgw s LEU 70 CO 0.10 0.05 1.79 -0.62 0.23 0.00 0.00 176.35 177.91 3hgw s ASP 71 N -3.26 6.16 0.09 2.29 2.15 -1.26 -3.79 116.67 119.05 3hgw s ASP 71 Ca 0.28 1.75 -0.20 0.00 0.43 0.00 0.00 52.55 54.82 3hgw s ASP 71 Cb -0.08 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 39.93 3hgw s ASP 71 CO 0.18 -1.42 1.63 0.00 -0.17 0.00 0.00 175.17 175.39 3hgw h ALA 72 N 11.77 0.25 -0.84 3.66 0.00 -1.88 -2.40 119.26 129.82 3hgw h ALA 72 Ca -0.37 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.49 3hgw h ALA 72 Cb 1.18 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3hgw h ALA 72 CO 0.99 -0.16 0.52 -1.35 0.00 0.00 0.00 179.25 179.25 3hgw h PRO 73 N 0.16 0.94 -0.37 0.00 0.11 -1.93 0.20 132.00 131.11 3hgw h PRO 73 Ca 0.06 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.15 3hgw h PRO 73 Cb 0.18 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3hgw h PRO 73 CO -0.01 0.62 0.17 0.35 -0.21 0.00 0.00 178.00 178.93 3hgw h PHE 74 N 0.97 0.31 -0.27 0.65 3.57 -1.94 0.18 116.94 120.40 3hgw h PHE 74 Ca 0.36 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.76 3hgw h PHE 74 Cb 0.13 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3hgw h PHE 74 CO -0.03 0.15 -0.27 0.28 -2.23 0.00 0.00 178.31 176.21 3hgw h VAL 75 N 0.35 1.31 -0.92 1.41 2.07 -1.12 -1.92 116.25 117.43 3hgw h VAL 75 Ca 0.16 -1.44 0.10 0.00 0.82 0.00 0.00 66.70 66.34 3hgw h VAL 75 Cb 0.09 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 3hgw h VAL 75 CO -0.13 0.46 0.56 -0.08 0.02 0.00 0.00 177.57 178.40 3hgw h GLU 76 N 0.40 0.90 -0.24 1.57 4.81 -0.53 -1.77 114.58 119.72 3hgw h GLU 76 Ca 0.04 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hgw h GLU 76 Cb 0.83 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3hgw h GLU 76 CO 0.07 0.60 0.10 0.78 -0.73 0.00 0.00 179.01 179.82 3hgw h GLY 77 N 0.93 0.31 0.78 1.92 0.00 -0.25 0.45 103.07 107.20 3hgw h GLY 77 Ca 0.44 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.75 3hgw h GLY 77 CO -0.24 0.05 0.42 1.41 0.00 0.00 0.00 176.54 178.18 3hgw h LEU 78 N 0.22 0.66 -0.75 3.11 3.38 -1.03 -2.60 115.31 118.31 3hgw h LEU 78 Ca 0.10 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3hgw h LEU 78 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hgw h LEU 78 CO -0.09 0.44 -0.42 -0.26 0.09 0.00 0.00 178.44 178.20 3hgw h PHE 79 N 0.80 0.00 -0.13 1.13 0.04 -0.99 -1.89 116.94 115.90 3hgw h PHE 79 Ca 0.30 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.08 3hgw h PHE 79 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3hgw h PHE 79 CO -0.06 0.42 0.03 0.00 -0.60 0.00 0.00 178.31 178.11 3hgw h ALA 80 N 1.58 0.13 -0.59 2.45 0.00 -0.65 0.35 119.26 122.53 3hgw h ALA 80 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hgw h ALA 80 Cb 1.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3hgw h ALA 80 CO 0.05 -0.42 0.31 1.96 0.00 0.00 0.00 179.25 181.16 3hgw h GLN 81 N 0.09 0.83 -0.01 0.00 4.20 -1.21 -2.32 115.11 116.69 3hgw h GLN 81 Ca 0.06 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hgw h GLN 81 Cb 0.04 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3hgw h GLN 81 CO -0.07 0.65 0.00 0.82 -0.67 0.00 0.00 178.83 179.56 3hgw h ILE 82 N 0.80 1.20 -0.42 2.54 2.04 -1.25 -1.85 117.51 120.56 3hgw h ILE 82 Ca 0.21 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3hgw h ILE 82 Cb 0.07 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3hgw h ILE 82 CO -0.03 0.16 0.22 0.40 0.00 0.00 0.00 178.15 178.90 3hgw h ILE 83 N -0.24 1.16 -0.55 -0.67 2.04 -0.85 -1.52 117.51 116.89 3hgw h ILE 83 Ca 0.00 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 3hgw h ILE 83 Cb 0.25 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3hgw h ILE 83 CO 0.00 0.17 0.05 0.45 0.00 0.00 0.00 178.15 178.83 3hgw h HIS 84 N 0.55 0.96 0.33 1.37 3.86 -1.46 -1.27 115.15 119.50 3hgw h HIS 84 Ca 0.15 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3hgw h HIS 84 Cb 0.07 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.28 3hgw h HIS 84 CO -0.02 0.84 -0.16 2.35 0.86 0.00 0.00 177.93 181.81 3hgw h TRP 85 N 0.85 -0.41 -0.70 2.45 2.91 -0.98 -1.22 115.95 118.85 3hgw h TRP 85 Ca 0.17 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.16 3hgw h TRP 85 Cb 0.43 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.18 3hgw h TRP 85 CO 0.03 -0.23 0.38 1.88 -1.03 0.00 0.00 178.44 179.47 3hgw h TYR 86 N -0.49 0.96 0.10 2.65 0.05 -1.21 -0.69 116.97 118.35 3hgw h TYR 86 Ca -0.05 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3hgw h TYR 86 Cb 0.37 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3hgw h TYR 86 CO -0.04 0.68 -0.05 1.15 -1.05 0.00 0.00 178.16 178.84 3hgw h THR 87 N 0.98 0.94 -0.15 -2.88 2.02 -1.15 -2.77 112.91 109.90 3hgw h THR 87 Ca 0.25 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 3hgw h THR 87 Cb 0.04 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3hgw h THR 87 CO -0.04 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 3hgw h ALA 88 N 0.69 1.62 -0.81 6.16 0.00 -0.87 -2.32 119.26 123.73 3hgw h ALA 88 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hgw h ALA 88 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hgw h ALA 88 CO 0.02 0.28 0.39 1.49 0.00 0.00 0.00 179.25 181.44 3hgw h GLU 89 N 0.22 1.16 -0.93 0.00 4.57 -0.99 -3.10 114.58 115.50 3hgw h GLU 89 Ca 0.05 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3hgw h GLU 89 Cb 0.26 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3hgw h GLU 89 CO 0.01 0.88 0.59 1.96 -1.18 0.00 0.00 179.01 181.27 3hgw h GLN 90 N 1.15 1.24 -0.80 1.92 1.08 -1.13 -2.74 115.11 115.83 3hgw h GLN 90 Ca 0.28 -0.09 0.23 0.00 -1.45 0.00 0.00 58.65 57.62 3hgw h GLN 90 Cb 0.11 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 3hgw h GLN 90 CO -0.04 0.85 0.62 0.82 -0.95 0.00 0.00 178.83 180.13 3hgw h ILE 91 N 1.27 0.49 0.00 2.54 1.08 -1.52 -1.59 117.51 119.78 3hgw h ILE 91 Ca 0.34 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.78 3hgw h ILE 91 Cb -0.10 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3hgw h ILE 91 CO -0.07 0.00 -0.10 0.11 -0.69 0.00 0.00 178.15 177.40 3hgw h LYS 92 N 0.00 0.00 0.00 2.37 1.57 -1.62 -3.31 116.57 115.57 3hgw h LYS 92 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3hgw h LYS 92 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 3hgw h LYS 92 CO -0.00 0.10 -0.95 0.66 -0.57 0.00 0.00 179.45 178.69 3hgw n TYR 93 N -3.64 0.00 -0.01 -1.35 4.01 -0.66 -5.20 117.16 110.30 3hgw n TYR 93 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3hgw n TYR 93 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3hgw n TYR 93 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31