#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owf s THR 2 N 0.00 2.16 0.19 1.12 -4.23 -1.26 -4.87 115.64 108.76 1owf s THR 2 Ca 0.00 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 1owf s THR 2 Cb 0.00 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 71.07 1owf s THR 2 CO 0.00 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.44 1owf h LYS 3 N -0.87 0.88 -0.25 3.99 3.64 -2.05 -0.80 116.57 121.10 1owf h LYS 3 Ca -0.42 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1owf h LYS 3 Cb 1.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1owf h LYS 3 CO 0.49 0.59 -0.27 0.66 -2.27 0.00 0.00 179.45 178.66 1owf h SER 4 N 0.90 0.50 0.50 4.20 4.64 -2.00 -2.00 113.55 120.30 1owf h SER 4 Ca 0.24 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1owf h SER 4 Cb -0.09 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1owf h SER 4 CO -0.05 0.76 -0.53 -0.33 -0.87 0.00 0.00 176.83 175.81 1owf h GLU 5 N 0.44 0.03 -0.40 4.77 5.08 -1.80 -1.84 114.58 120.86 1owf h GLU 5 Ca 0.06 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1owf h GLU 5 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1owf h GLU 5 CO 0.05 0.55 0.06 1.25 -1.00 0.00 0.00 179.01 179.93 1owf h LEU 6 N 0.02 0.63 -0.32 1.33 5.85 -0.62 -1.10 115.31 121.10 1owf h LEU 6 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1owf h LEU 6 Cb 0.94 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1owf h LEU 6 CO 0.07 0.73 0.21 0.40 -0.34 0.00 0.00 178.44 179.52 1owf h ILE 7 N 0.50 1.08 -0.50 4.05 2.04 -1.09 -0.77 117.51 122.82 1owf h ILE 7 Ca 0.12 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1owf h ILE 7 Cb 0.37 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1owf h ILE 7 CO 0.01 0.08 0.30 -0.33 0.00 0.00 0.00 178.15 178.21 1owf h GLU 8 N 0.43 0.68 -0.64 2.37 5.08 -1.16 0.25 114.58 121.59 1owf h GLU 8 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1owf h GLU 8 Cb -0.05 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1owf h GLU 8 CO -0.03 0.50 0.19 0.00 -1.00 0.00 0.00 179.01 178.67 1owf h ARG 9 N 0.67 0.98 0.13 2.33 3.08 -0.89 -1.10 114.38 119.57 1owf h ARG 9 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1owf h ARG 9 Cb -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1owf h ARG 9 CO -0.03 0.85 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.58 1owf h LEU 10 N 0.94 -0.14 -0.58 3.04 3.38 -0.74 -2.97 115.31 118.23 1owf h LEU 10 Ca 0.21 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1owf h LEU 10 Cb 0.29 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 1owf h LEU 10 CO -0.01 0.27 -0.29 0.00 0.09 0.00 0.00 178.44 178.51 1owf h ALA 11 N 0.20 0.07 -2.24 1.53 0.00 -0.32 -3.08 119.26 115.41 1owf h ALA 11 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1owf h ALA 11 Cb 0.46 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1owf h ALA 11 CO 0.03 -0.62 0.00 2.41 0.00 0.00 0.00 179.25 181.07 1owf n THR 12 N -5.44 0.00 0.00 0.00 -1.04 -0.44 -4.11 114.28 103.26 1owf n THR 12 Ca 0.05 1.13 0.00 0.00 -2.04 0.00 0.00 64.05 63.18 1owf n THR 12 Cb 0.35 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 1owf n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1owf n GLN 13 N -1.04 0.00 -2.38 -2.82 6.02 -1.12 -3.16 117.38 112.87 1owf n GLN 13 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1owf n GLN 13 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1owf n GLN 13 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1owf s GLN 14 N -0.09 3.18 0.00 -1.09 1.03 -1.22 -4.84 119.66 116.63 1owf s GLN 14 Ca 0.00 -0.68 0.00 0.00 0.04 0.00 0.00 55.36 54.72 1owf s GLN 14 Cb 0.00 -5.09 0.00 0.00 0.03 0.00 0.00 33.01 27.95 1owf s GLN 14 CO 0.00 -2.58 0.34 -1.13 -2.54 0.00 0.00 175.29 169.37 1owf n SER 15 N 10.69 0.41 -0.67 12.60 3.41 -1.19 -2.83 113.62 136.04 1owf n SER 15 Ca 0.31 -1.09 0.07 0.00 -0.26 0.00 0.00 58.87 57.91 1owf n SER 15 Cb 0.50 -0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1owf n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1owf n HIS 16 N 0.05 0.18 -4.34 7.33 1.44 -1.26 -4.90 115.22 113.71 1owf n HIS 16 Ca 0.00 -0.14 -0.25 0.00 -2.01 0.00 0.00 57.72 55.31 1owf n HIS 16 Cb 0.10 -0.01 -0.17 0.00 0.12 0.00 0.00 29.99 30.04 1owf n HIS 16 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1owf s ILE 17 N -1.17 1.11 0.24 0.61 1.01 -1.13 -5.12 121.20 116.75 1owf s ILE 17 Ca 0.21 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1owf s ILE 17 Cb 0.13 -1.06 -0.15 0.00 0.01 0.00 0.00 42.46 41.40 1owf s ILE 17 CO 0.19 0.36 1.13 -2.65 0.00 0.00 0.00 174.94 173.98 1owf n PRO 18 N 4.22 1.39 -0.06 2.79 -0.02 -1.26 -4.82 135.00 137.24 1owf n PRO 18 Ca -0.19 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.70 1owf n PRO 18 Cb 0.51 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1owf n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1owf h ALA 19 N 2.87 0.11 -0.70 3.55 0.00 -1.95 -0.25 119.26 122.89 1owf h ALA 19 Ca -0.42 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1owf h ALA 19 Cb 1.33 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1owf h ALA 19 CO 0.67 -0.51 0.46 -0.22 0.00 0.00 0.00 179.25 179.65 1owf h LYS 20 N -0.06 0.66 -0.44 0.00 1.63 -2.00 -0.87 116.57 115.50 1owf h LYS 20 Ca 0.13 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1owf h LYS 20 Cb 0.25 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1owf h LYS 20 CO -0.29 0.44 0.08 1.15 -3.45 0.00 0.00 179.45 177.38 1owf h THR 21 N 0.68 1.24 -0.63 1.00 2.02 -1.44 -1.60 112.91 114.18 1owf h THR 21 Ca 0.31 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1owf h THR 21 Cb 0.34 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1owf h THR 21 CO -0.10 0.30 0.26 0.58 0.37 0.00 0.00 175.52 176.93 1owf h VAL 22 N 0.58 1.22 0.14 3.16 2.07 -0.15 0.65 116.25 123.91 1owf h VAL 22 Ca 0.13 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1owf h VAL 22 Cb 0.36 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1owf h VAL 22 CO 0.01 0.27 -0.07 -0.08 0.02 0.00 0.00 177.57 177.72 1owf h GLU 23 N 0.91 -0.18 -0.86 1.57 4.81 -0.80 -0.87 114.58 119.16 1owf h GLU 23 Ca 0.21 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1owf h GLU 23 Cb 0.17 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1owf h GLU 23 CO -0.02 -0.10 0.45 -0.44 -0.73 0.00 0.00 179.01 178.17 1owf h ASP 24 N -0.21 1.08 -0.16 1.04 3.32 -0.92 -2.26 116.42 118.32 1owf h ASP 24 Ca -0.02 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1owf h ASP 24 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1owf h ASP 24 CO 0.03 0.88 0.06 0.00 -1.72 0.00 0.00 179.24 178.49 1owf h ALA 25 N 1.29 0.21 -0.43 3.45 0.00 -0.56 0.47 119.26 123.69 1owf h ALA 25 Ca 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1owf h ALA 25 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1owf h ALA 25 CO -0.04 -0.18 0.21 0.28 0.00 0.00 0.00 179.25 179.51 1owf h VAL 26 N 0.09 1.18 -0.64 0.00 2.07 -1.08 0.14 116.25 118.01 1owf h VAL 26 Ca 0.05 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1owf h VAL 26 Cb 0.21 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1owf h VAL 26 CO -0.00 0.20 0.15 0.11 0.02 0.00 0.00 177.57 178.05 1owf h LYS 27 N 0.56 1.00 -0.27 1.57 1.57 -1.32 -2.28 116.57 117.40 1owf h LYS 27 Ca 0.15 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1owf h LYS 27 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1owf h LYS 27 CO -0.02 0.89 -0.43 1.49 -0.57 0.00 0.00 179.45 180.81 1owf h GLU 28 N 0.95 0.67 -0.47 3.15 4.22 -0.34 -2.25 114.58 120.51 1owf h GLU 28 Ca 0.20 -0.36 -0.05 0.00 0.08 0.00 0.00 59.36 59.23 1owf h GLU 28 Cb 0.34 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1owf h GLU 28 CO 0.00 0.97 0.09 0.52 -2.18 0.00 0.00 179.01 178.41 1owf h MET 29 N 0.55 0.77 -0.39 1.92 2.86 -0.51 -0.27 114.93 119.85 1owf h MET 29 Ca 0.04 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1owf h MET 29 Cb 0.96 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1owf h MET 29 CO 0.09 0.77 -0.04 -0.07 1.06 0.00 0.00 176.91 178.72 1owf h LEU 30 N 0.64 0.62 -0.64 1.22 3.38 -1.35 -0.21 115.31 118.98 1owf h LEU 30 Ca 0.15 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1owf h LEU 30 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1owf h LEU 30 CO 0.01 0.72 -0.43 -0.08 0.09 0.00 0.00 178.44 178.74 1owf h GLU 31 N 0.61 0.56 -0.46 1.13 4.57 -1.13 -0.07 114.58 119.79 1owf h GLU 31 Ca 0.12 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1owf h GLU 31 Cb 0.44 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1owf h GLU 31 CO 0.02 0.89 0.15 1.25 -1.18 0.00 0.00 179.01 180.14 1owf h HIS 32 N 0.46 0.73 -0.18 0.92 2.76 -0.29 0.11 115.15 119.66 1owf h HIS 32 Ca 0.03 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1owf h HIS 32 Cb 0.94 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 1owf h HIS 32 CO 0.04 0.65 0.02 0.52 -1.30 0.00 0.00 177.93 177.86 1owf h MET 33 N 0.60 0.31 0.09 5.26 2.86 -0.88 -0.95 114.93 122.22 1owf h MET 33 Ca 0.15 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1owf h MET 33 Cb 0.26 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1owf h MET 33 CO -0.01 0.48 -0.09 0.00 1.06 0.00 0.00 176.91 178.35 1owf h ALA 34 N 0.81 -0.18 -0.39 6.32 0.00 -0.83 -2.01 119.26 122.99 1owf h ALA 34 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1owf h ALA 34 Cb 0.33 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1owf h ALA 34 CO 0.01 -0.61 0.15 0.66 0.00 0.00 0.00 179.25 179.45 1owf h SER 35 N -0.21 0.49 -0.43 0.00 4.64 -0.75 0.38 113.55 117.68 1owf h SER 35 Ca 0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1owf h SER 35 Cb 0.20 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1owf h SER 35 CO -0.03 0.45 0.27 0.74 -0.87 0.00 0.00 176.83 177.40 1owf h THR 36 N 0.55 1.12 -0.43 2.95 2.02 -0.72 0.30 112.91 118.70 1owf h THR 36 Ca 0.13 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 1owf h THR 36 Cb 0.12 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1owf h THR 36 CO -0.01 0.12 -0.26 -0.07 0.37 0.00 0.00 175.52 175.67 1owf h LEU 37 N 0.58 0.94 -1.97 2.58 3.38 -0.64 -1.13 115.31 119.05 1owf h LEU 37 Ca 0.16 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1owf h LEU 37 Cb -0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1owf h LEU 37 CO -0.03 1.14 -0.11 0.00 0.09 0.00 0.00 178.44 179.53 1owf h ALA 38 N 0.92 1.41 -0.00 1.53 0.00 -0.55 -0.11 119.26 122.46 1owf h ALA 38 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1owf h ALA 38 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1owf h ALA 38 CO 0.07 0.13 -0.07 1.04 0.00 0.00 0.00 179.25 180.43 1owf n GLN 39 N -3.80 0.82 -0.81 0.00 6.02 0.06 -4.90 117.38 114.76 1owf n GLN 39 Ca -0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1owf n GLN 39 Cb 0.21 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1owf n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1owf n GLY 40 N 1.22 0.52 3.86 1.08 0.00 -0.05 -5.06 105.19 106.76 1owf n GLY 40 Ca 0.17 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1owf n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1owf s GLU 41 N -1.27 3.17 0.55 1.61 2.56 -0.47 -5.01 118.70 119.83 1owf s GLU 41 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 54.97 54.26 1owf s GLU 41 Cb 0.00 -2.83 0.01 0.00 2.00 0.00 0.00 34.13 33.32 1owf s GLU 41 CO 0.00 0.53 0.81 1.03 -0.56 0.00 0.00 175.26 177.07 1owf s ARG 42 N -2.97 2.84 -0.07 4.30 0.52 -1.26 -3.92 118.95 118.39 1owf s ARG 42 Ca 0.33 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1owf s ARG 42 Cb -0.11 -2.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 1owf s ARG 42 CO 0.26 -0.61 -0.20 0.42 0.02 0.00 0.00 175.30 175.19 1owf s ILE 43 N -2.83 1.69 -0.32 1.52 1.01 0.43 -4.95 121.20 117.75 1owf s ILE 43 Ca 0.53 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1owf s ILE 43 Cb -0.10 -1.46 0.11 0.00 0.01 0.00 0.00 42.46 41.02 1owf s ILE 43 CO 0.42 0.48 0.15 0.00 0.00 0.00 0.00 174.94 175.99 1owf s ALA 44 N 0.18 1.02 -0.37 9.38 0.00 -1.26 -0.31 121.76 130.40 1owf s ALA 44 Ca -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1owf s ALA 44 Cb -0.14 -1.54 0.08 0.00 0.00 0.00 0.00 23.12 21.52 1owf s ALA 44 CO 0.05 -1.81 0.13 0.42 0.00 0.00 0.00 175.76 174.55 1owf s ILE 45 N 1.58 3.36 0.25 0.00 -1.09 -0.64 -5.01 121.20 119.66 1owf s ILE 45 Ca 0.12 -1.65 -0.31 0.00 -2.23 0.00 0.00 60.65 56.59 1owf s ILE 45 Cb -0.19 -3.11 -0.13 0.00 -1.58 0.00 0.00 42.46 37.46 1owf s ILE 45 CO -0.21 -0.42 1.52 0.54 -1.23 0.00 0.00 174.94 175.14 1owf n ARG 46 N 4.67 2.36 0.00 2.79 5.12 -1.26 -0.73 116.66 129.60 1owf n ARG 46 Ca -0.08 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1owf n ARG 46 Cb 0.43 -2.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.15 1owf n ARG 46 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1owf n GLY 47 N 2.37 2.49 0.85 -0.13 0.00 -1.26 -4.76 105.19 104.76 1owf n GLY 47 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1owf n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1owf n PHE 48 N -2.00 0.00 0.00 1.61 7.35 -0.47 -2.71 117.46 121.23 1owf n PHE 48 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1owf n PHE 48 Cb 0.00 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 39.70 1owf n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1owf n GLY 49 N 2.97 0.70 3.18 7.13 0.00 0.09 -1.12 105.19 118.14 1owf n GLY 49 Ca -0.05 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 1owf n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1owf s SER 50 N 0.00 1.98 -0.04 1.61 1.04 -0.64 -1.61 113.70 116.03 1owf s SER 50 Ca 0.00 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1owf s SER 50 Cb 0.00 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1owf s SER 50 CO 0.00 0.09 -0.14 -0.36 0.98 0.00 0.00 173.24 173.81 1owf s PHE 51 N -0.81 2.72 0.16 5.02 0.40 0.58 -1.39 117.98 124.65 1owf s PHE 51 Ca 0.04 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1owf s PHE 51 Cb -0.08 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1owf s PHE 51 CO 0.01 0.22 0.23 -1.13 0.70 0.00 0.00 175.22 175.25 1owf n SER 52 N 2.18 -0.63 -4.30 1.36 3.41 -0.40 -0.43 113.62 114.80 1owf n SER 52 Ca -0.17 -1.86 -0.32 0.00 -0.26 0.00 0.00 58.87 56.26 1owf n SER 52 Cb 0.52 1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 65.49 1owf n SER 52 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1owf s LEU 53 N 0.00 2.31 -0.10 1.04 1.43 -1.26 -1.21 118.68 120.89 1owf s LEU 53 Ca 0.13 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1owf s LEU 53 Cb -0.00 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1owf s LEU 53 CO 0.09 0.21 -0.04 -1.00 0.23 0.00 0.00 176.35 175.84 1owf s HIS 54 N 0.07 3.04 0.25 0.29 3.76 0.10 -4.91 115.29 117.88 1owf s HIS 54 Ca -0.09 -0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.56 1owf s HIS 54 Cb -0.15 -1.80 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 1owf s HIS 54 CO 0.06 0.28 0.86 -0.47 -0.85 0.00 0.00 174.74 174.62 1owf s TYR 55 N -0.53 3.82 -0.18 1.40 5.04 -1.26 -1.18 117.35 124.46 1owf s TYR 55 Ca 0.08 1.71 0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1owf s TYR 55 Cb -0.12 -2.85 0.03 0.00 0.35 0.00 0.00 41.96 39.38 1owf s TYR 55 CO 0.02 0.37 -0.13 1.03 -1.34 0.00 0.00 175.55 175.50 1owf s ARG 56 N -1.59 2.25 0.69 4.97 1.81 0.57 -4.96 118.95 122.68 1owf s ARG 56 Ca 0.43 -0.75 -0.16 0.00 -1.72 0.00 0.00 55.73 53.53 1owf s ARG 56 Cb -0.21 -2.33 0.02 0.00 -0.45 0.00 0.00 34.95 31.97 1owf s ARG 56 CO 0.26 -0.33 1.19 0.00 -0.68 0.00 0.00 175.30 175.74 1owf s ALA 57 N 1.41 2.28 0.75 2.13 0.00 -1.26 -1.42 121.76 125.65 1owf s ALA 57 Ca 0.02 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1owf s ALA 57 Cb -0.15 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.58 1owf s ALA 57 CO -0.10 -1.61 1.22 -1.25 0.00 0.00 0.00 175.76 174.02 1owf s PRO 58 N -3.80 1.97 0.07 0.00 0.04 -1.26 -4.60 135.00 127.42 1owf s PRO 58 Ca 0.74 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 1owf s PRO 58 Cb -0.28 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.54 1owf s PRO 58 CO 0.42 -1.97 0.83 -0.98 0.04 0.00 0.00 177.00 175.33 1owf s ARG 59 N -3.95 1.02 -0.71 4.56 1.70 0.40 -4.90 118.95 117.08 1owf s ARG 59 Ca 0.75 -0.42 -0.19 0.00 -0.47 0.00 0.00 55.73 55.39 1owf s ARG 59 Cb -0.30 0.44 0.11 0.00 -0.57 0.00 0.00 34.95 34.63 1owf s ARG 59 CO 0.47 -0.45 0.87 0.99 -1.08 0.00 0.00 175.30 176.10 1owf s THR 60 N -3.32 4.74 0.00 4.99 2.01 -1.26 -0.35 115.64 122.45 1owf s THR 60 Ca 0.05 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1owf s THR 60 Cb -0.01 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 67.89 1owf s THR 60 CO -0.08 -1.29 0.00 0.61 -0.69 0.00 0.00 174.62 173.17 1owf n GLY 61 N 5.23 0.82 3.20 4.40 0.00 0.11 -4.83 105.19 114.11 1owf n GLY 61 Ca 0.02 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1owf n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1owf s ARG 62 N 0.46 0.72 -0.47 1.61 1.81 -1.26 -0.92 118.95 120.90 1owf s ARG 62 Ca 0.00 -0.61 -0.26 0.00 -1.72 0.00 0.00 55.73 53.14 1owf s ARG 62 Cb 0.00 0.30 0.03 0.00 -0.45 0.00 0.00 34.95 34.83 1owf s ARG 62 CO 0.00 -0.22 0.98 1.21 -0.68 0.00 0.00 175.30 176.59 1owf s ASN 63 N -2.10 6.51 0.16 0.23 3.84 -0.24 -4.88 114.94 118.46 1owf s ASN 63 Ca -0.05 0.16 0.12 0.00 0.21 0.00 0.00 52.86 53.30 1owf s ASN 63 Cb -0.01 -2.47 0.62 0.00 -0.55 0.00 0.00 41.25 38.84 1owf s ASN 63 CO -0.04 -1.12 1.37 -0.81 -2.79 0.00 0.00 177.10 173.71 1owf n PRO 64 N 7.36 0.07 0.04 0.43 -0.04 -1.26 0.37 135.00 141.97 1owf n PRO 64 Ca 0.07 0.54 -0.17 0.00 -0.04 0.00 0.00 63.50 63.89 1owf n PRO 64 Cb 0.49 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 1owf n PRO 64 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1owf h LYS 65 N 0.00 0.24 0.00 0.54 3.64 -1.97 -3.39 116.57 115.62 1owf h LYS 65 Ca 0.00 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1owf h LYS 65 Cb 0.04 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1owf h LYS 65 CO 0.00 1.08 -1.33 0.25 -2.27 0.00 0.00 179.45 177.17 1owf n THR 66 N -3.42 0.00 -0.55 1.00 -2.24 -0.95 -4.99 114.28 103.14 1owf n THR 66 Ca -0.21 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1owf n THR 66 Cb 1.05 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1owf n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1owf n GLY 67 N 1.70 1.34 3.77 3.38 0.00 0.16 -5.01 105.19 110.53 1owf n GLY 67 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1owf n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1owf s ASP 68 N -3.18 6.58 0.63 1.61 1.01 -1.25 -4.71 116.67 117.37 1owf s ASP 68 Ca 0.00 2.77 -0.16 0.00 0.71 0.00 0.00 52.55 55.87 1owf s ASP 68 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1owf s ASP 68 CO 0.00 -0.68 1.12 -0.54 0.21 0.00 0.00 175.17 175.28 1owf s LYS 69 N -1.95 2.90 -0.14 8.23 1.02 -1.26 -1.08 119.74 127.45 1owf s LYS 69 Ca 0.51 1.47 -0.07 0.00 0.02 0.00 0.00 55.97 57.91 1owf s LYS 69 Cb -0.41 -1.96 0.05 0.00 -0.52 0.00 0.00 37.83 35.00 1owf s LYS 69 CO 0.55 -1.19 0.33 0.54 -0.92 0.00 0.00 175.35 174.66 1owf s VAL 70 N -2.17 -0.07 -0.36 3.17 0.11 -0.10 -4.79 120.40 116.20 1owf s VAL 70 Ca 0.69 0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 59.64 1owf s VAL 70 Cb -0.22 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1owf s VAL 70 CO 0.38 0.05 0.75 -1.61 -3.33 0.00 0.00 175.10 171.34 1owf s GLU 71 N 1.42 3.73 -0.19 1.54 0.41 -1.26 0.06 118.70 124.41 1owf s GLU 71 Ca -0.09 0.25 -0.06 0.00 -0.41 0.00 0.00 54.97 54.65 1owf s GLU 71 Cb -0.10 -3.81 -0.03 0.00 -1.78 0.00 0.00 34.13 28.41 1owf s GLU 71 CO -0.11 -0.82 0.04 -0.51 -0.49 0.00 0.00 175.26 173.37 1owf s LEU 72 N 3.00 3.55 0.70 1.80 1.43 0.53 -4.97 118.68 124.72 1owf s LEU 72 Ca 0.30 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1owf s LEU 72 Cb -0.14 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1owf s LEU 72 CO 0.16 0.12 1.06 -1.83 0.23 0.00 0.00 176.35 176.09 1owf s GLU 73 N 0.69 2.68 0.69 1.70 -1.05 -1.26 -0.45 118.70 121.70 1owf s GLU 73 Ca 0.02 0.24 -0.17 0.00 -0.15 0.00 0.00 54.97 54.91 1owf s GLU 73 Cb -0.14 -2.08 0.02 0.00 -0.44 0.00 0.00 34.13 31.49 1owf s GLU 73 CO 0.02 -1.06 1.26 0.20 0.95 0.00 0.00 175.26 176.63 1owf s GLY 74 N -4.39 2.64 0.33 -3.83 0.00 -1.26 -4.50 107.32 96.30 1owf s GLY 74 Ca 0.58 1.09 -0.19 0.00 0.00 0.00 0.00 44.72 46.21 1owf s GLY 74 CO 0.49 1.52 0.77 -1.59 0.00 0.00 0.00 173.10 174.29 1owf s LYS 75 N -3.61 1.98 0.09 2.90 -2.85 -0.50 -4.91 119.74 112.83 1owf s LYS 75 Ca 0.80 -1.19 0.09 0.00 -1.00 0.00 0.00 55.97 54.66 1owf s LYS 75 Cb -0.35 0.61 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 1owf s LYS 75 CO 0.43 -0.92 -0.21 0.71 0.10 0.00 0.00 175.35 175.45 1owf s TYR 76 N -3.10 2.46 0.04 1.78 2.02 -1.26 -0.32 117.35 118.96 1owf s TYR 76 Ca 0.13 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1owf s TYR 76 Cb -0.05 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1owf s TYR 76 CO 0.09 0.30 -0.08 0.14 -1.57 0.00 0.00 175.55 174.43 1owf s VAL 77 N -1.01 0.54 0.51 0.71 -7.23 -0.32 -4.95 120.40 108.65 1owf s VAL 77 Ca 0.15 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 59.16 1owf s VAL 77 Cb -0.10 -0.59 -0.07 0.00 0.56 0.00 0.00 36.38 36.19 1owf s VAL 77 CO 0.07 -0.30 1.14 -2.84 -0.31 0.00 0.00 175.10 172.86 1owf s PRO 78 N -1.36 3.52 -0.03 4.82 0.02 -1.26 -0.72 135.00 139.99 1owf s PRO 78 Ca -0.08 1.66 -0.02 0.00 0.02 0.00 0.00 61.00 62.58 1owf s PRO 78 Cb -0.09 -2.16 0.01 0.00 0.02 0.00 0.00 34.50 32.29 1owf s PRO 78 CO 0.00 -0.72 0.08 -1.58 -0.33 0.00 0.00 177.00 174.45 1owf s HIS 79 N -1.69 -0.08 -0.04 6.54 2.46 -0.35 -4.80 115.29 117.33 1owf s HIS 79 Ca 0.69 0.24 0.07 0.00 0.47 0.00 0.00 55.06 56.53 1owf s HIS 79 Cb -0.25 -0.02 -0.02 0.00 -0.13 0.00 0.00 32.58 32.16 1owf s HIS 79 CO 0.29 -0.06 -0.25 0.12 -2.47 0.00 0.00 174.74 172.37 1owf s PHE 80 N 0.33 2.33 -0.22 3.88 5.36 -1.26 -1.27 117.98 127.12 1owf s PHE 80 Ca -0.02 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 1owf s PHE 80 Cb -0.04 -1.51 0.06 0.00 -0.34 0.00 0.00 43.02 41.19 1owf s PHE 80 CO -0.01 -0.12 -0.04 0.21 -1.46 0.00 0.00 175.22 173.80 1owf s LYS 81 N -0.39 1.47 0.29 10.12 2.20 -0.49 -4.99 119.74 127.96 1owf s LYS 81 Ca 0.04 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.48 1owf s LYS 81 Cb -0.12 -2.48 -0.13 0.00 -1.51 0.00 0.00 37.83 33.60 1owf s LYS 81 CO 0.01 -0.59 1.38 -2.30 -0.36 0.00 0.00 175.35 173.49 1owf n PRO 82 N 4.74 2.17 -2.04 4.03 -0.02 -1.26 -1.62 135.00 140.99 1owf n PRO 82 Ca -0.12 0.77 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1owf n PRO 82 Cb 0.45 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1owf n PRO 82 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1owf s GLY 83 N 0.06 1.63 0.13 -1.23 0.00 -0.28 -4.77 107.32 102.86 1owf s GLY 83 Ca 0.62 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 1owf s GLY 83 CO 0.55 -0.29 1.58 1.70 0.00 0.00 0.00 173.10 176.64 1owf h LYS 84 N -0.79 -0.51 -1.01 2.90 3.64 -1.89 0.14 116.57 119.05 1owf h LYS 84 Ca -0.45 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1owf h LYS 84 Cb 1.31 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 33.17 1owf h LYS 84 CO 0.63 -0.34 0.64 1.49 -2.27 0.00 0.00 179.45 179.60 1owf h GLU 85 N -0.53 1.06 -0.35 1.90 4.81 -1.95 -0.10 114.58 119.42 1owf h GLU 85 Ca 0.06 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1owf h GLU 85 Cb 0.64 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1owf h GLU 85 CO -0.37 0.70 -0.37 1.25 -0.73 0.00 0.00 179.01 179.50 1owf h LEU 86 N 1.10 0.93 0.63 1.64 5.85 -1.20 -1.44 115.31 122.82 1owf h LEU 86 Ca 0.46 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1owf h LEU 86 Cb 0.32 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1owf h LEU 86 CO -0.22 1.21 -0.38 0.03 -0.34 0.00 0.00 178.44 178.75 1owf h ARG 87 N 0.67 -0.92 -0.26 1.25 3.08 0.30 -0.83 114.38 117.67 1owf h ARG 87 Ca 0.05 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1owf h ARG 87 Cb 0.96 0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1owf h ARG 87 CO 0.09 -0.61 0.01 -0.44 -1.07 0.00 0.00 179.97 177.95 1owf h ASP 88 N -0.95 -0.08 -0.08 7.04 3.32 -1.09 -0.40 116.42 124.17 1owf h ASP 88 Ca -0.08 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1owf h ASP 88 Cb 0.76 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1owf h ASP 88 CO 0.09 -0.01 -0.11 0.03 -1.72 0.00 0.00 179.24 177.52 1owf h ARG 89 N 0.09 0.39 0.01 3.56 3.08 -1.20 -2.99 114.38 117.32 1owf h ARG 89 Ca 0.12 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1owf h ARG 89 Cb 0.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1owf h ARG 89 CO -0.20 0.51 -0.96 0.00 -1.07 0.00 0.00 179.97 178.25 1owf h ALA 90 N 1.52 0.42 -1.40 0.04 0.00 -0.69 -3.42 119.26 115.73 1owf h ALA 90 Ca 0.07 -0.86 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 1owf h ALA 90 Cb 0.42 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1owf h ALA 90 CO 0.02 1.17 1.13 1.21 0.00 0.00 0.00 179.25 182.78 1owf s ASN 91 N -6.76 5.94 0.17 0.00 2.47 -0.20 -4.85 114.94 111.71 1owf s ASN 91 Ca 0.00 -0.23 -0.07 0.00 0.42 0.00 0.00 52.86 52.98 1owf s ASN 91 Cb 0.10 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.38 1owf s ASN 91 CO 0.82 -1.96 1.47 0.16 -3.72 0.00 0.00 177.10 173.86 1owf h ILE 92 N 6.25 1.30 -3.09 -5.21 3.07 -1.84 -3.46 117.51 114.54 1owf h ILE 92 Ca -0.27 -1.74 -0.43 0.00 1.55 0.00 0.00 64.86 63.97 1owf h ILE 92 Cb 1.08 1.67 0.22 0.00 -0.27 0.00 0.00 36.82 39.52 1owf h ILE 92 CO 1.26 0.55 -0.06 -1.22 -1.05 0.00 0.00 178.15 177.64 1owf n TYR 93 N -3.99 -1.58 0.99 0.16 4.02 -1.26 -5.21 117.16 110.30 1owf n TYR 93 Ca -0.03 -0.24 0.08 0.00 -0.01 0.00 0.00 57.90 57.70 1owf n TYR 93 Cb 0.60 -1.66 0.47 0.00 -0.02 0.00 0.00 39.34 38.74 1owf n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26