#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 2.65 0.44 -0.18 -4.23 -1.26 -4.86 115.64 108.20 3hgw s THR 3 Ca 0.00 0.22 0.17 0.00 -1.18 0.00 0.00 61.69 60.90 3hgw s THR 3 Cb 0.00 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.71 3hgw s THR 3 CO 0.00 -0.27 1.94 -0.65 -0.54 0.00 0.00 174.62 175.10 3hgw h PRO 4 N -1.41 0.35 -0.07 3.99 0.11 -1.99 -2.12 132.00 130.86 3hgw h PRO 4 Ca -0.44 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3hgw h PRO 4 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hgw h PRO 4 CO 0.46 0.23 -0.73 0.93 -0.21 0.00 0.00 178.00 178.68 3hgw h GLU 5 N 0.36 0.36 -0.04 1.05 3.07 -2.05 -3.18 114.58 114.14 3hgw h GLU 5 Ca 0.33 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3hgw h GLU 5 Cb 0.81 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3hgw h GLU 5 CO -0.09 0.94 0.00 -0.25 -1.40 0.00 0.00 179.01 178.21 3hgw n ASP 6 N -3.82 1.05 -4.71 1.42 8.00 -0.82 -4.87 116.55 112.80 3hgw n ASP 6 Ca -0.04 -1.42 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 3hgw n ASP 6 Cb 0.71 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 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 4.15 0.00 -0.41 0.00 -2.24 -1.26 -5.03 114.28 109.50 3hgw n THR 8 Ca 0.11 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3hgw n THR 8 Cb 0.44 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 3hgw n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgw n GLY 9 N 1.42 -1.38 0.22 3.38 0.00 -1.26 -5.02 105.19 102.55 3hgw n GLY 9 Ca 0.09 -1.04 0.05 0.00 0.00 0.00 0.00 46.02 45.12 3hgw n GLY 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hgw h LEU 10 N 0.00 0.00 -0.64 0.99 3.38 -1.99 -2.34 115.31 114.71 3hgw h LEU 10 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hgw h LEU 10 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hgw h LEU 10 CO 0.00 0.20 0.23 0.00 0.09 0.00 0.00 178.44 178.96 3hgw h ALA 11 N 1.80 0.84 -0.54 1.53 0.00 -1.99 0.09 119.26 121.00 3hgw h ALA 11 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3hgw h ALA 11 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hgw h ALA 11 CO 0.03 0.48 0.18 -0.44 0.00 0.00 0.00 179.25 179.50 3hgw h ASP 12 N 0.92 0.77 -0.28 0.00 3.32 -1.84 -2.11 116.42 117.20 3hgw h ASP 12 Ca 0.21 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3hgw h ASP 12 Cb 0.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3hgw h ASP 12 CO -0.01 0.76 0.09 0.40 -1.72 0.00 0.00 179.24 178.76 3hgw h ILE 13 N 0.74 0.92 -0.35 0.35 1.08 -1.08 -2.75 117.51 116.41 3hgw h ILE 13 Ca 0.17 -0.07 -0.08 0.00 -0.39 0.00 0.00 64.86 64.49 3hgw h ILE 13 Cb 0.26 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3hgw h ILE 13 CO -0.01 0.04 -0.13 0.03 -0.69 0.00 0.00 178.15 177.39 3hgw h ARG 14 N 0.21 0.62 -0.15 2.37 3.08 -0.92 -0.67 114.38 118.93 3hgw h ARG 14 Ca 0.12 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3hgw h ARG 14 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3hgw h ARG 14 CO -0.13 0.74 -0.00 1.49 -1.07 0.00 0.00 179.97 181.00 3hgw h GLU 15 N 0.57 0.05 -0.22 0.04 4.81 -1.18 -0.93 114.58 117.72 3hgw h GLU 15 Ca 0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3hgw h GLU 15 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3hgw h GLU 15 CO 0.04 0.03 0.02 0.00 -0.73 0.00 0.00 179.01 178.37 3hgw h ALA 16 N 1.13 0.30 -0.57 2.92 0.00 -1.20 -2.81 119.26 119.02 3hgw h ALA 16 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3hgw h ALA 16 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hgw h ALA 16 CO -0.12 -0.00 0.15 0.82 0.00 0.00 0.00 179.25 180.10 3hgw h ILE 17 N 0.16 1.23 -0.56 0.00 2.04 -1.05 -1.20 117.51 118.14 3hgw h ILE 17 Ca 0.07 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3hgw h ILE 17 Cb 0.36 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3hgw h ILE 17 CO 0.01 0.31 0.15 0.44 0.00 0.00 0.00 178.15 179.05 3hgw h ASP 18 N 0.85 0.79 -0.24 1.72 3.32 -1.16 -1.21 116.42 120.49 3hgw h ASP 18 Ca 0.19 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 3hgw h ASP 18 Cb 0.29 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hgw h ASP 18 CO -0.00 0.77 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.86 3hgw h ARG 19 N 0.82 0.66 -0.40 3.56 9.65 -1.18 -1.64 114.38 125.85 3hgw h ARG 19 Ca 0.18 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 3hgw h ARG 19 Cb 0.28 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 3hgw h ARG 19 CO -0.00 0.99 0.16 0.82 2.80 0.00 0.00 179.97 184.74 3hgw h ILE 20 N 0.37 1.19 -0.19 1.20 2.04 -1.14 -0.55 117.51 120.45 3hgw h ILE 20 Ca 0.03 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 3hgw h ILE 20 Cb 0.92 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3hgw h ILE 20 CO 0.08 0.22 -0.34 0.44 0.00 0.00 0.00 178.15 178.55 3hgw h ASP 21 N 0.50 0.39 -0.18 1.72 3.32 -1.21 0.56 116.42 121.52 3hgw h ASP 21 Ca 0.13 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3hgw h ASP 21 Cb 0.18 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hgw h ASP 21 CO -0.01 0.71 -0.31 0.25 -1.72 0.00 0.00 179.24 178.16 3hgw h LEU 22 N 0.33 0.59 -0.65 1.55 5.85 -1.19 -1.69 115.31 120.10 3hgw h LEU 22 Ca 0.04 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 58.36 3hgw h LEU 22 Cb 0.76 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 3hgw h LEU 22 CO 0.06 1.01 0.09 0.44 -0.34 0.00 0.00 178.44 179.70 3hgw h ASP 23 N 0.18 -0.11 -0.17 1.25 3.32 -0.69 0.22 116.42 120.43 3hgw h ASP 23 Ca 0.01 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hgw h ASP 23 Cb 0.90 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3hgw h ASP 23 CO 0.07 -0.06 0.08 0.40 -1.72 0.00 0.00 179.24 178.02 3hgw h ILE 24 N 0.20 1.12 -0.81 0.35 2.04 -0.81 0.10 117.51 119.71 3hgw h ILE 24 Ca 0.35 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3hgw h ILE 24 Cb 0.57 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3hgw h ILE 24 CO -0.49 0.11 0.51 0.58 0.00 0.00 0.00 178.15 178.86 3hgw h VAL 25 N 0.15 1.22 -0.64 1.67 2.07 -0.88 -0.66 116.25 119.17 3hgw h VAL 25 Ca 0.06 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 3hgw h VAL 25 Cb 0.11 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 3hgw h VAL 25 CO -0.01 0.22 0.13 1.56 0.02 0.00 0.00 177.57 179.50 3hgw h GLN 26 N 1.10 1.04 -0.82 1.57 4.20 -0.33 -0.78 115.11 121.10 3hgw h GLN 26 Ca 0.29 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3hgw h GLN 26 Cb -0.08 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 3hgw h GLN 26 CO -0.06 0.95 0.36 0.00 -0.67 0.00 0.00 178.83 179.41 3hgw h ALA 27 N 1.05 1.08 -0.41 3.87 0.00 -0.76 -1.10 119.26 123.00 3hgw h ALA 27 Ca 0.20 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3hgw h ALA 27 Cb 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hgw h ALA 27 CO 0.01 0.67 0.03 -0.07 0.00 0.00 0.00 179.25 179.88 3hgw h LEU 28 N 1.18 0.61 -0.12 0.00 3.38 -0.85 0.81 115.31 120.32 3hgw h LEU 28 Ca 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hgw h LEU 28 Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hgw h LEU 28 CO -0.03 0.67 0.02 1.23 0.09 0.00 0.00 178.44 180.42 3hgw h GLY 29 N 0.90 0.21 1.17 0.83 0.00 -0.63 -2.45 103.07 103.09 3hgw h GLY 29 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.33 3hgw h GLY 29 CO 0.01 0.13 0.56 3.21 0.00 0.00 0.00 176.54 180.44 3hgw h ARG 30 N -0.04 1.12 -0.84 4.80 3.08 -1.11 -2.69 114.38 118.70 3hgw h ARG 30 Ca 0.04 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3hgw h ARG 30 Cb 0.29 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3hgw h ARG 30 CO 0.00 0.74 0.55 -0.09 -1.07 0.00 0.00 179.97 180.10 3hgw h ARG 31 N 1.15 0.98 -0.32 0.04 2.43 -0.68 -1.76 114.38 116.22 3hgw h ARG 31 Ca 0.31 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3hgw h ARG 31 Cb -0.13 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.19 3hgw h ARG 31 CO -0.07 0.65 -0.27 1.98 -1.51 0.00 0.00 179.97 180.75 3hgw h MET 32 N 1.01 0.64 -0.90 0.20 4.05 -1.13 -2.20 114.93 116.61 3hgw h MET 32 Ca 0.34 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3hgw h MET 32 Cb 0.08 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 3hgw h MET 32 CO -0.11 0.85 0.49 -0.44 0.23 0.00 0.00 176.91 177.94 3hgw h ASP 33 N 0.56 1.13 -0.17 1.39 3.32 -1.08 -0.22 116.42 121.34 3hgw h ASP 33 Ca 0.07 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3hgw h ASP 33 Cb 0.76 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3hgw h ASP 33 CO 0.06 0.91 -0.08 1.88 -1.72 0.00 0.00 179.24 180.29 3hgw h TYR 34 N 1.27 0.40 -0.57 4.55 0.05 -1.37 -0.31 116.97 120.98 3hgw h TYR 34 Ca 0.32 -0.10 0.07 0.00 0.05 0.00 0.00 58.73 59.07 3hgw h TYR 34 Cb 0.03 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.62 3hgw h TYR 34 CO 0.01 0.66 0.25 0.28 -1.05 0.00 0.00 178.16 178.30 3hgw h VAL 35 N 0.03 0.85 -0.72 -2.88 2.07 -1.18 -0.22 116.25 114.21 3hgw h VAL 35 Ca 0.04 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3hgw h VAL 35 Cb 0.55 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3hgw h VAL 35 CO 0.02 0.08 0.28 0.11 0.02 0.00 0.00 177.57 178.09 3hgw h LYS 36 N 0.46 1.07 -0.47 1.57 1.57 -1.00 -2.71 116.57 117.07 3hgw h LYS 36 Ca 0.27 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3hgw h LYS 36 Cb 0.27 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3hgw h LYS 36 CO -0.24 0.89 0.31 0.00 -0.57 0.00 0.00 179.45 179.84 3hgw h ALA 37 N 1.13 1.78 -0.07 3.86 0.00 -0.17 -1.71 119.26 124.09 3hgw h ALA 37 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hgw h ALA 37 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hgw h ALA 37 CO -0.02 0.16 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 3hgw h ALA 38 N 1.73 1.62 -0.28 0.00 0.00 -0.74 -3.51 119.26 118.08 3hgw h ALA 38 Ca 0.19 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 54.44 3hgw h ALA 38 Cb 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hgw h ALA 38 CO -0.05 0.28 1.65 0.45 0.00 0.00 0.00 179.25 181.58 3hgw n SER 39 N -4.31 2.91 0.00 0.00 2.88 -0.65 -5.12 113.62 109.34 3hgw n SER 39 Ca -0.02 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 3hgw n SER 39 Cb 0.25 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 3hgw n SER 39 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3hgw n VAL 54 N 6.97 0.00 0.02 2.46 0.31 -1.26 -5.12 118.33 121.72 3hgw n VAL 54 Ca 0.47 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.96 3hgw n VAL 54 Cb 0.44 -0.22 0.63 0.00 -0.91 0.00 0.00 33.84 33.77 3hgw n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hgw h ALA 55 N 0.00 2.27 0.00 3.52 0.00 -2.04 0.17 119.26 123.18 3hgw h ALA 55 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hgw h ALA 55 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hgw h ALA 55 CO 0.00 -0.39 -0.62 0.00 0.00 0.00 0.00 179.25 178.24 3hgw h ALA 56 N 1.77 0.72 0.03 0.00 0.00 -2.08 -3.39 119.26 116.31 3hgw h ALA 56 Ca 0.22 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.67 3hgw h ALA 56 Cb 0.70 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3hgw h ALA 56 CO -0.03 0.15 -1.98 -1.33 0.00 0.00 0.00 179.25 176.07 3hgw n MET 57 N -2.91 0.67 -0.09 0.00 2.00 -0.24 -4.48 117.12 112.08 3hgw n MET 57 Ca 0.01 0.22 -0.14 0.00 0.00 0.00 0.00 57.70 57.78 3hgw n MET 57 Cb 0.59 -1.70 -0.04 0.00 0.00 0.00 0.00 33.22 32.07 3hgw n MET 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hgw h LEU 58 N 0.02 0.90 -1.25 4.03 3.38 -1.23 -2.99 115.31 118.17 3hgw h LEU 58 Ca -0.39 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.09 3hgw h LEU 58 Cb 2.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.51 3hgw h LEU 58 CO 0.06 1.23 0.52 -0.65 0.09 0.00 0.00 178.44 179.69 3hgw h PRO 59 N 0.59 0.98 -0.13 1.13 0.11 -1.79 0.51 132.00 133.40 3hgw h PRO 59 Ca 0.03 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.11 3hgw h PRO 59 Cb 1.04 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3hgw h PRO 59 CO 0.10 0.65 -0.04 1.49 -0.21 0.00 0.00 178.00 179.99 3hgw h GLU 60 N 1.01 -0.01 -0.02 1.05 4.81 -1.78 -2.02 114.58 117.62 3hgw h GLU 60 Ca 0.30 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.39 3hgw h GLU 60 Cb -0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hgw h GLU 60 CO -0.08 -0.01 -0.65 0.00 -0.73 0.00 0.00 179.01 177.55 3hgw h ARG 61 N -0.01 0.07 -0.34 1.92 3.08 -1.27 -2.06 114.38 115.78 3hgw h ARG 61 Ca 0.07 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3hgw h ARG 61 Cb 0.11 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hgw h ARG 61 CO -0.14 0.70 -0.26 0.00 -1.07 0.00 0.00 179.97 179.19 3hgw h ALA 62 N 1.29 0.91 -0.24 0.04 0.00 -0.85 -1.66 119.26 118.74 3hgw h ALA 62 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3hgw h ALA 62 Cb 1.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hgw h ALA 62 CO 0.09 0.62 0.03 -0.09 0.00 0.00 0.00 179.25 179.90 3hgw h ARG 63 N 0.60 0.41 -0.96 0.00 2.43 -1.04 -2.55 114.38 113.26 3hgw h ARG 63 Ca 0.08 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3hgw h ARG 63 Cb 0.75 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 3hgw h ARG 63 CO 0.06 0.54 0.63 -1.49 -1.51 0.00 0.00 179.97 178.20 3hgw h TRP 64 N 0.21 1.15 0.59 2.20 6.55 -1.28 -1.14 115.95 124.23 3hgw h TRP 64 Ca 0.07 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.92 3hgw h TRP 64 Cb 0.34 -0.38 0.00 0.00 -0.86 0.00 0.00 29.16 28.26 3hgw h TRP 64 CO 0.02 0.61 -0.32 0.00 -1.05 0.00 0.00 178.44 177.70 3hgw h ALA 65 N 1.47 -0.86 -0.76 1.49 0.00 -1.18 -1.61 119.26 117.82 3hgw h ALA 65 Ca 0.41 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3hgw h ALA 65 Cb 0.14 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 3hgw h ALA 65 CO -0.15 -0.99 0.33 1.49 0.00 0.00 0.00 179.25 179.93 3hgw h GLU 66 N -0.85 0.48 0.00 0.00 4.81 -1.31 0.15 114.58 117.86 3hgw h GLU 66 Ca -0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3hgw h GLU 66 Cb 0.67 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hgw h GLU 66 CO 0.10 0.32 -0.14 1.49 -0.73 0.00 0.00 179.01 180.05 3hgw h GLU 67 N 0.49 0.00 -0.66 1.92 4.81 -0.99 -2.36 114.58 117.79 3hgw h GLU 67 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3hgw h GLU 67 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3hgw h GLU 67 CO -0.37 0.14 0.00 0.09 -0.73 0.00 0.00 179.01 178.14 3hgw n ASN 68 N -4.13 4.42 -0.27 1.04 3.02 -0.35 -4.95 115.26 114.04 3hgw n ASN 68 Ca -0.02 -2.29 -0.03 0.00 -0.03 0.00 0.00 54.58 52.20 3hgw n ASN 68 Cb 0.22 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 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 1.24 0.52 3.59 7.41 0.00 -0.85 -5.03 105.19 112.07 3hgw n GLY 69 Ca 0.25 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.75 3.07 -0.03 0.99 1.43 -0.10 -5.00 118.68 118.29 3hgw s LEU 70 Ca 0.00 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 3hgw s LEU 70 Cb 0.00 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 3hgw s LEU 70 CO 0.00 0.16 2.02 -0.67 0.23 0.00 0.00 176.35 178.09 3hgw n ASP 71 N 0.58 3.88 0.21 2.29 2.03 -1.26 -3.26 116.55 121.02 3hgw n ASP 71 Ca -0.13 0.77 -0.15 0.00 0.52 0.00 0.00 54.79 55.80 3hgw n ASP 71 Cb 0.53 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.34 3hgw n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hgw h ALA 72 N 11.31 -0.48 -0.85 -1.67 0.00 -1.89 -2.58 119.26 123.10 3hgw h ALA 72 Ca -0.48 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.39 3hgw h ALA 72 Cb 1.25 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3hgw h ALA 72 CO 0.95 -0.77 0.56 -1.35 0.00 0.00 0.00 179.25 178.63 3hgw h PRO 73 N -0.49 0.95 -0.41 0.00 0.11 -1.92 0.53 132.00 130.77 3hgw h PRO 73 Ca -0.04 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3hgw h PRO 73 Cb 0.38 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3hgw h PRO 73 CO 0.07 0.63 0.27 0.35 -0.21 0.00 0.00 178.00 179.10 3hgw h PHE 74 N 0.98 0.52 -0.09 0.65 3.57 -1.95 -1.71 116.94 118.90 3hgw h PHE 74 Ca 0.36 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.76 3hgw h PHE 74 Cb 0.16 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3hgw h PHE 74 CO -0.00 0.33 -0.45 0.28 -2.23 0.00 0.00 178.31 176.24 3hgw h VAL 75 N 0.55 1.33 -0.55 1.41 2.07 -0.93 -1.65 116.25 118.48 3hgw h VAL 75 Ca 0.15 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 3hgw h VAL 75 Cb -0.06 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3hgw h VAL 75 CO -0.03 0.48 0.11 -0.33 0.02 0.00 0.00 177.57 177.82 3hgw h GLU 76 N 0.17 0.85 -0.51 1.57 5.08 -0.82 -1.18 114.58 119.75 3hgw h GLU 76 Ca 0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3hgw h GLU 76 Cb 0.87 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3hgw h GLU 76 CO 0.07 0.78 0.22 0.78 -1.00 0.00 0.00 179.01 179.86 3hgw h GLY 77 N 0.98 0.81 1.00 -3.84 0.00 -0.71 0.13 103.07 101.45 3hgw h GLY 77 Ca 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3hgw h GLY 77 CO 0.00 0.40 0.41 1.41 0.00 0.00 0.00 176.54 178.76 3hgw h LEU 78 N 0.68 0.82 -0.19 3.11 3.38 -1.03 -2.40 115.31 119.69 3hgw h LEU 78 Ca 0.17 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 3hgw h LEU 78 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hgw h LEU 78 CO -0.02 0.64 -0.92 -0.26 0.09 0.00 0.00 178.44 177.97 3hgw h PHE 79 N 0.93 0.11 -0.53 1.13 0.04 -1.02 -1.94 116.94 115.66 3hgw h PHE 79 Ca 0.24 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 3hgw h PHE 79 Cb -0.02 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3hgw h PHE 79 CO -0.01 0.95 0.27 0.00 -0.60 0.00 0.00 178.31 178.92 3hgw h ALA 80 N 1.03 0.68 -0.08 2.45 0.00 -0.71 0.19 119.26 122.83 3hgw h ALA 80 Ca -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hgw h ALA 80 Cb 1.61 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3hgw h ALA 80 CO 0.13 0.22 -0.10 0.37 0.00 0.00 0.00 179.25 179.87 3hgw h GLN 81 N 0.71 -0.13 0.39 0.00 4.15 -1.39 -1.76 115.11 117.07 3hgw h GLN 81 Ca 0.18 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3hgw h GLN 81 Cb 0.08 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3hgw h GLN 81 CO -0.03 -0.09 -0.19 0.82 -1.93 0.00 0.00 178.83 177.42 3hgw h ILE 82 N -0.14 0.62 -0.62 2.39 2.04 -1.19 -2.24 117.51 118.38 3hgw h ILE 82 Ca 0.06 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3hgw h ILE 82 Cb 0.23 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hgw h ILE 82 CO -0.16 0.04 0.40 0.40 0.00 0.00 0.00 178.15 178.83 3hgw h ILE 83 N -0.64 1.14 -0.78 -0.67 2.04 -0.59 -0.71 117.51 117.30 3hgw h ILE 83 Ca -0.05 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 3hgw h ILE 83 Cb 0.47 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3hgw h ILE 83 CO 0.09 0.15 0.32 0.45 0.00 0.00 0.00 178.15 179.16 3hgw h HIS 84 N 0.82 1.17 -0.04 1.37 3.86 -1.37 0.21 115.15 121.17 3hgw h HIS 84 Ca 0.23 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3hgw h HIS 84 Cb -0.07 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.04 3hgw h HIS 84 CO -0.04 0.89 -0.01 2.35 0.86 0.00 0.00 177.93 181.99 3hgw h TRP 85 N 1.12 -0.01 -0.23 2.45 2.91 -0.75 -1.48 115.95 119.96 3hgw h TRP 85 Ca 0.26 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.17 3hgw h TRP 85 Cb 0.20 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 3hgw h TRP 85 CO 0.02 -0.01 -0.32 1.88 -1.03 0.00 0.00 178.44 178.98 3hgw h TYR 86 N 0.01 0.54 -0.00 2.65 0.99 -1.02 -0.26 116.97 119.88 3hgw h TYR 86 Ca 0.02 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3hgw h TYR 86 Cb 0.02 -0.13 -0.00 0.00 1.00 0.00 0.00 36.73 37.63 3hgw h TYR 86 CO -0.10 0.74 0.00 1.15 -0.00 0.00 0.00 178.16 179.95 3hgw h THR 87 N 0.41 1.02 -0.44 -2.88 2.02 -0.85 -0.60 112.91 111.59 3hgw h THR 87 Ca 0.05 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3hgw h THR 87 Cb 0.76 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3hgw h THR 87 CO 0.06 0.01 0.06 0.00 0.37 0.00 0.00 175.52 176.03 3hgw h ALA 88 N 0.98 1.30 -0.51 6.16 0.00 -0.94 -2.35 119.26 123.89 3hgw h ALA 88 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3hgw h ALA 88 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hgw h ALA 88 CO -0.00 0.49 -0.12 1.49 0.00 0.00 0.00 179.25 181.11 3hgw h GLU 89 N 0.65 0.99 -0.79 0.00 4.57 -0.96 -1.98 114.58 117.06 3hgw h GLU 89 Ca 0.14 -0.38 0.04 0.00 -1.18 0.00 0.00 59.36 57.99 3hgw h GLU 89 Cb 0.31 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 3hgw h GLU 89 CO 0.00 1.05 0.49 0.37 -1.18 0.00 0.00 179.01 179.75 3hgw h GLN 90 N 0.85 0.90 -0.35 1.92 4.15 -0.67 0.31 115.11 122.22 3hgw h GLN 90 Ca 0.13 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 3hgw h GLN 90 Cb 0.69 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3hgw h GLN 90 CO 0.05 0.60 0.16 0.82 -1.93 0.00 0.00 178.83 178.52 3hgw h ILE 91 N 0.93 1.17 -0.44 2.39 2.04 -1.32 -0.16 117.51 122.11 3hgw h ILE 91 Ca 0.33 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3hgw h ILE 91 Cb 0.08 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3hgw h ILE 91 CO -0.14 0.18 0.29 0.11 0.00 0.00 0.00 178.15 178.59 3hgw h LYS 92 N 0.42 0.59 -0.58 2.37 1.57 -0.89 -2.62 116.57 117.43 3hgw h LYS 92 Ca 0.12 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3hgw h LYS 92 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3hgw h LYS 92 CO -0.01 0.40 0.23 -0.92 -0.57 0.00 0.00 179.45 178.57 3hgw h TYR 93 N 0.60 0.89 0.03 -1.35 3.20 -0.21 -0.77 116.97 119.37 3hgw h TYR 93 Ca 0.16 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.98 3hgw h TYR 93 Cb -0.06 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3hgw h TYR 93 CO -0.04 0.72 -0.11 2.35 -1.64 0.00 0.00 178.16 179.44 3hgw h TRP 94 N 0.81 -0.28 -0.97 -3.82 7.01 -0.93 -0.20 115.95 117.56 3hgw h TRP 94 Ca 0.19 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.22 3hgw h TRP 94 Cb 0.21 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.34 3hgw h TRP 94 CO 0.01 -0.17 0.64 -0.09 -2.79 0.00 0.00 178.44 176.05 3hgw h ARG 95 N -0.20 1.26 0.00 2.65 2.43 -1.28 0.19 114.38 119.42 3hgw h ARG 95 Ca 0.03 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3hgw h ARG 95 Cb 0.24 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3hgw h ARG 95 CO -0.09 0.84 -0.30 1.96 -1.51 0.00 0.00 179.97 180.87 3hgw h GLN 96 N 1.30 0.00 -0.25 0.20 4.20 -0.79 -3.18 115.11 116.59 3hgw h GLN 96 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3hgw h GLN 96 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3hgw h GLN 96 CO -0.08 0.30 0.00 0.25 -0.67 0.00 0.00 178.83 178.62 3hgw n THR 97 N -4.14 0.67 -1.35 -0.54 -2.24 -0.12 -5.08 114.28 101.49 3hgw n THR 97 Ca -0.02 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3hgw n THR 97 Cb 0.35 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3hgw n THR 97 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36