#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owg s THR 2 N 0.00 2.17 0.17 1.12 -4.23 -1.26 -4.84 115.64 108.77 1owg s THR 2 Ca 0.00 -0.34 -0.14 0.00 -1.18 0.00 0.00 61.69 60.03 1owg s THR 2 Cb 0.00 -2.83 0.06 0.00 1.34 0.00 0.00 72.50 71.07 1owg s THR 2 CO 0.00 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.39 1owg h LYS 3 N -0.81 0.56 -0.57 3.99 3.64 -2.05 0.22 116.57 121.53 1owg h LYS 3 Ca -0.41 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 1owg h LYS 3 Cb 1.28 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1owg h LYS 3 CO 0.46 0.37 0.05 0.66 -2.27 0.00 0.00 179.45 178.73 1owg h SER 4 N 0.58 0.91 -0.08 4.20 4.64 -1.99 -1.49 113.55 120.32 1owg h SER 4 Ca 0.20 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1owg h SER 4 Cb 0.03 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1owg h SER 4 CO -0.09 0.94 -0.29 -0.33 -0.87 0.00 0.00 176.83 176.19 1owg h GLU 5 N 0.89 0.54 -0.74 4.77 5.08 -1.78 -1.40 114.58 121.95 1owg h GLU 5 Ca 0.17 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1owg h GLU 5 Cb 0.45 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1owg h GLU 5 CO 0.02 0.77 0.34 1.25 -1.00 0.00 0.00 179.01 180.39 1owg h LEU 6 N 0.47 0.98 -0.60 1.33 5.85 -0.06 -1.38 115.31 121.90 1owg h LEU 6 Ca 0.06 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1owg h LEU 6 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1owg h LEU 6 CO 0.06 0.85 0.17 0.40 -0.34 0.00 0.00 178.44 179.58 1owg h ILE 7 N 1.04 1.25 0.35 4.05 2.04 -0.93 -1.95 117.51 123.36 1owg h ILE 7 Ca 0.25 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1owg h ILE 7 Cb 0.14 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1owg h ILE 7 CO -0.03 0.32 -0.36 -0.33 0.00 0.00 0.00 178.15 177.76 1owg h GLU 8 N 0.85 -0.68 -0.56 2.37 5.08 -0.65 -0.30 114.58 120.68 1owg h GLU 8 Ca 0.19 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.71 1owg h GLU 8 Cb 0.31 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 1owg h GLU 8 CO -0.00 -0.45 -0.14 0.00 -1.00 0.00 0.00 179.01 177.42 1owg h ARG 9 N -0.71 0.00 -0.71 2.33 3.08 -1.24 0.38 114.38 117.52 1owg h ARG 9 Ca -0.04 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1owg h ARG 9 Cb 0.61 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1owg h ARG 9 CO -0.05 0.00 0.45 -0.07 -1.07 0.00 0.00 179.97 179.23 1owg h LEU 10 N 0.00 0.75 -0.06 3.04 3.38 -1.22 -1.64 115.31 119.57 1owg h LEU 10 Ca 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1owg h LEU 10 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1owg h LEU 10 CO -0.58 0.53 0.03 0.00 0.09 0.00 0.00 178.44 178.51 1owg h ALA 11 N 1.29 0.07 0.07 1.53 0.00 0.99 -2.57 119.26 120.64 1owg h ALA 11 Ca 0.28 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1owg h ALA 11 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1owg h ALA 11 CO -0.09 -0.39 -0.31 1.15 0.00 0.00 0.00 179.25 179.62 1owg h THR 12 N 0.00 0.34 0.00 0.00 2.02 0.02 -3.24 112.91 112.05 1owg h THR 12 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1owg h THR 12 Cb 0.08 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1owg h THR 12 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1owg n GLN 13 N -5.41 0.00 -1.64 6.66 6.02 -0.65 -4.37 117.38 117.98 1owg n GLN 13 Ca -0.06 0.16 -0.52 0.00 -0.01 0.00 0.00 57.00 56.56 1owg n GLN 13 Cb 0.32 -0.81 -0.06 0.00 1.02 0.00 0.00 30.24 30.71 1owg n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1owg n GLN 14 N -0.46 1.56 0.00 -1.09 1.13 -0.97 -4.80 117.38 112.75 1owg n GLN 14 Ca 0.00 0.55 0.09 0.00 -1.94 0.00 0.00 57.00 55.70 1owg n GLN 14 Cb 0.00 -2.41 0.06 0.00 0.11 0.00 0.00 30.24 27.99 1owg n GLN 14 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1owg n SER 15 N 6.93 2.35 -0.44 1.08 3.41 -1.26 -4.21 113.62 121.49 1owg n SER 15 Ca 0.28 -1.68 0.05 0.00 -0.26 0.00 0.00 58.87 57.26 1owg n SER 15 Cb 0.22 0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.37 1owg n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1owg n HIS 16 N 0.75 0.11 -4.05 7.33 1.44 -1.26 -4.90 115.22 114.64 1owg n HIS 16 Ca 0.10 -0.14 -0.31 0.00 -2.01 0.00 0.00 57.72 55.36 1owg n HIS 16 Cb 0.45 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.39 1owg n HIS 16 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1owg s ILE 17 N -0.86 1.86 0.05 0.61 1.01 -1.26 -5.11 121.20 117.51 1owg s ILE 17 Ca 0.14 -1.11 -0.36 0.00 0.00 0.00 0.00 60.65 59.32 1owg s ILE 17 Cb 0.09 -1.87 -0.15 0.00 0.01 0.00 0.00 42.46 40.54 1owg s ILE 17 CO 0.13 0.24 1.52 -2.65 0.00 0.00 0.00 174.94 174.17 1owg n PRO 18 N 4.62 1.58 -0.31 2.79 -0.02 -1.26 -4.81 135.00 137.58 1owg n PRO 18 Ca -0.16 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1owg n PRO 18 Cb 0.47 -2.28 0.29 0.00 -0.02 0.00 0.00 33.50 31.96 1owg n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1owg h ALA 19 N 5.76 1.46 -0.42 3.55 0.00 -1.92 0.27 119.26 127.95 1owg h ALA 19 Ca -0.47 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1owg h ALA 19 Cb 1.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1owg h ALA 19 CO 0.85 -0.21 0.03 -0.22 0.00 0.00 0.00 179.25 179.69 1owg h LYS 20 N 0.54 0.65 -0.25 0.00 1.63 -2.00 -1.53 116.57 115.62 1owg h LYS 20 Ca 0.54 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 60.16 1owg h LYS 20 Cb 0.93 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1owg h LYS 20 CO -0.45 0.65 0.03 1.15 -3.45 0.00 0.00 179.45 177.39 1owg h THR 21 N 0.62 1.23 -0.93 1.00 2.02 -0.90 -1.37 112.91 114.60 1owg h THR 21 Ca 0.13 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.58 1owg h THR 21 Cb 0.35 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 1owg h THR 21 CO 0.01 0.25 0.59 0.58 0.37 0.00 0.00 175.52 177.32 1owg h VAL 22 N 0.22 1.08 0.42 3.16 2.07 -0.80 -0.05 116.25 122.34 1owg h VAL 22 Ca 0.07 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1owg h VAL 22 Cb 0.34 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1owg h VAL 22 CO 0.01 0.20 -0.20 -0.08 0.02 0.00 0.00 177.57 177.51 1owg h GLU 23 N 1.08 -0.54 -0.65 1.57 4.81 -0.99 -1.13 114.58 118.73 1owg h GLU 23 Ca 0.40 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.69 1owg h GLU 23 Cb 0.14 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1owg h GLU 23 CO -0.17 -0.31 0.43 -0.44 -0.73 0.00 0.00 179.01 177.79 1owg h ASP 24 N -0.64 0.68 -0.13 1.04 3.32 -0.94 -2.17 116.42 117.58 1owg h ASP 24 Ca -0.06 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1owg h ASP 24 Cb 0.48 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1owg h ASP 24 CO 0.09 0.47 0.01 0.00 -1.72 0.00 0.00 179.24 178.09 1owg h ALA 25 N 1.62 0.17 0.29 3.45 0.00 -0.76 -1.18 119.26 122.85 1owg h ALA 25 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1owg h ALA 25 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1owg h ALA 25 CO -0.07 -0.15 -0.14 0.28 0.00 0.00 0.00 179.25 179.17 1owg h VAL 26 N -0.04 0.74 -0.61 0.00 2.07 -0.99 0.14 116.25 117.56 1owg h VAL 26 Ca 0.04 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.44 1owg h VAL 26 Cb 0.34 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1owg h VAL 26 CO 0.01 0.05 0.15 0.11 0.02 0.00 0.00 177.57 177.90 1owg h LYS 27 N -0.52 0.27 -0.66 1.57 1.57 -1.44 0.80 116.57 118.17 1owg h LYS 27 Ca -0.04 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1owg h LYS 27 Cb 0.38 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1owg h LYS 27 CO 0.07 0.18 0.20 1.49 -0.57 0.00 0.00 179.45 180.81 1owg h GLU 28 N 0.28 1.03 -0.51 3.15 4.22 -0.96 -0.43 114.58 121.36 1owg h GLU 28 Ca 0.32 -0.22 -0.06 0.00 0.08 0.00 0.00 59.36 59.48 1owg h GLU 28 Cb 0.48 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1owg h GLU 28 CO -0.40 0.90 0.09 0.52 -2.18 0.00 0.00 179.01 177.93 1owg h MET 29 N 0.96 0.83 -0.40 1.92 2.86 0.47 0.94 114.93 122.51 1owg h MET 29 Ca 0.21 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1owg h MET 29 Cb 0.31 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1owg h MET 29 CO -0.01 0.82 0.11 -0.07 1.06 0.00 0.00 176.91 178.83 1owg h LEU 30 N 0.71 0.59 -1.57 1.22 3.38 -0.66 -0.62 115.31 118.37 1owg h LEU 30 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1owg h LEU 30 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1owg h LEU 30 CO 0.01 0.65 0.10 -0.08 0.09 0.00 0.00 178.44 179.21 1owg h GLU 31 N 0.50 0.38 -0.34 1.13 4.57 -0.90 0.04 114.58 119.96 1owg h GLU 31 Ca 0.13 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 1owg h GLU 31 Cb 0.28 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1owg h GLU 31 CO -0.00 0.33 -0.31 1.25 -1.18 0.00 0.00 179.01 179.10 1owg h HIS 32 N 0.39 0.97 -0.51 0.92 2.76 -0.05 -1.80 115.15 117.83 1owg h HIS 32 Ca 0.10 -0.28 -0.09 0.00 -2.20 0.00 0.00 60.37 57.89 1owg h HIS 32 Cb 0.10 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1owg h HIS 32 CO 0.00 1.07 -0.03 0.52 -1.30 0.00 0.00 177.93 178.19 1owg h MET 33 N 0.60 0.91 0.08 5.26 2.86 -0.27 -1.85 114.93 122.52 1owg h MET 33 Ca 0.06 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1owg h MET 33 Cb 0.89 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1owg h MET 33 CO 0.08 0.95 -0.04 0.00 1.06 0.00 0.00 176.91 178.96 1owg h ALA 34 N 0.93 -0.11 0.00 6.32 0.00 -0.93 -2.23 119.26 123.25 1owg h ALA 34 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1owg h ALA 34 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1owg h ALA 34 CO 0.03 -0.50 -0.19 0.66 0.00 0.00 0.00 179.25 179.26 1owg h SER 35 N -0.23 0.00 -0.52 0.00 4.64 -1.34 -1.62 113.55 114.49 1owg h SER 35 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1owg h SER 35 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1owg h SER 35 CO 0.02 0.19 0.22 0.74 -0.87 0.00 0.00 176.83 177.12 1owg h THR 36 N 0.00 1.21 -0.14 2.95 2.02 -0.89 -0.99 112.91 117.07 1owg h THR 36 Ca -0.00 -0.64 -0.18 0.00 0.77 0.00 0.00 66.41 66.37 1owg h THR 36 Cb 0.41 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1owg h THR 36 CO 0.02 0.24 -0.65 -0.07 0.37 0.00 0.00 175.52 175.44 1owg h LEU 37 N 0.69 0.59 -1.53 2.58 3.38 -0.82 -2.04 115.31 118.16 1owg h LEU 37 Ca 0.17 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1owg h LEU 37 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1owg h LEU 37 CO -0.02 1.08 -0.03 0.00 0.09 0.00 0.00 178.44 179.56 1owg h ALA 38 N 0.92 1.62 -0.04 1.53 0.00 -1.05 0.96 119.26 123.20 1owg h ALA 38 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1owg h ALA 38 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1owg h ALA 38 CO 0.12 0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.69 1owg n GLN 39 N -4.36 1.09 -1.68 0.00 6.02 -0.40 -4.86 117.38 113.20 1owg n GLN 39 Ca -0.00 -0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 56.72 1owg n GLN 39 Cb 0.20 -1.04 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 1owg n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1owg n GLY 40 N 0.57 0.78 3.61 1.08 0.00 0.33 -5.02 105.19 106.53 1owg n GLY 40 Ca 0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1owg n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1owg s GLU 41 N -3.61 2.25 0.58 1.61 2.12 -0.78 -5.02 118.70 115.84 1owg s GLU 41 Ca 0.00 -0.97 -0.09 0.00 0.36 0.00 0.00 54.97 54.27 1owg s GLU 41 Cb 0.00 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 1owg s GLU 41 CO 0.00 0.52 0.96 1.03 -0.54 0.00 0.00 175.26 177.22 1owg s ARG 42 N -2.23 3.59 -0.16 4.30 0.52 -1.26 -3.77 118.95 119.94 1owg s ARG 42 Ca 0.23 0.59 0.01 0.00 -0.52 0.00 0.00 55.73 56.04 1owg s ARG 42 Cb -0.11 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.21 1owg s ARG 42 CO 0.15 -0.46 -0.20 0.42 0.02 0.00 0.00 175.30 175.24 1owg s ILE 43 N -3.04 1.97 -0.38 1.52 1.01 0.14 -4.97 121.20 117.46 1owg s ILE 43 Ca 0.53 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1owg s ILE 43 Cb -0.11 -1.77 0.11 0.00 0.01 0.00 0.00 42.46 40.70 1owg s ILE 43 CO 0.51 0.53 0.12 -1.61 0.00 0.00 0.00 174.94 174.48 1owg s GLU 44 N 1.16 1.39 -0.57 2.79 0.41 -1.26 -0.11 118.70 122.51 1owg s GLU 44 Ca 0.01 -1.86 -0.08 0.00 -0.41 0.00 0.00 54.97 52.63 1owg s GLU 44 Cb -0.14 -2.89 0.15 0.00 -1.78 0.00 0.00 34.13 29.47 1owg s GLU 44 CO -0.09 -1.00 0.44 0.42 -0.49 0.00 0.00 175.26 174.54 1owg s ILE 45 N 0.78 4.27 -0.14 -1.63 -1.09 -0.23 -5.02 121.20 118.15 1owg s ILE 45 Ca 0.12 -2.23 -0.35 0.00 -2.23 0.00 0.00 60.65 55.97 1owg s ILE 45 Cb -0.20 -3.78 -0.12 0.00 -1.58 0.00 0.00 42.46 36.78 1owg s ILE 45 CO -0.09 -0.84 1.89 -1.14 -1.23 0.00 0.00 174.94 173.53 1owg n ARG 46 N 4.36 1.97 0.00 2.79 0.63 -1.26 -0.73 116.66 124.41 1owg n ARG 46 Ca 0.00 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 1owg n ARG 46 Cb 0.41 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1owg n ARG 46 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1owg n GLY 47 N 4.55 3.43 0.32 5.14 0.00 -1.26 -4.83 105.19 112.54 1owg n GLY 47 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1owg n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1owg n PHE 48 N -1.74 0.00 -2.19 1.61 7.35 -0.18 -2.00 117.46 120.30 1owg n PHE 48 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1owg n PHE 48 Cb 0.00 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.34 1owg n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1owg n GLY 49 N 1.86 -1.71 2.93 7.13 0.00 0.09 -0.35 105.19 115.15 1owg n GLY 49 Ca -0.19 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 1owg n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1owg s SER 50 N -2.43 0.21 -0.10 1.61 1.04 -0.53 -1.07 113.70 112.42 1owg s SER 50 Ca 0.00 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 1owg s SER 50 Cb 0.00 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1owg s SER 50 CO 0.00 -0.11 -0.08 -0.36 0.98 0.00 0.00 173.24 173.67 1owg s PHE 51 N -0.61 2.92 0.08 5.02 0.40 0.84 -1.45 117.98 125.18 1owg s PHE 51 Ca -0.06 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1owg s PHE 51 Cb -0.04 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.69 1owg s PHE 51 CO -0.00 0.12 0.10 -1.13 0.70 0.00 0.00 175.22 175.00 1owg n SER 52 N 2.83 -0.26 -4.21 1.36 3.41 -0.58 -0.68 113.62 115.48 1owg n SER 52 Ca -0.18 -1.43 -0.26 0.00 -0.26 0.00 0.00 58.87 56.75 1owg n SER 52 Cb 0.53 0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 64.84 1owg n SER 52 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1owg s LEU 53 N 0.00 2.07 -0.06 1.04 1.43 -1.26 -1.73 118.68 120.17 1owg s LEU 53 Ca 0.07 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1owg s LEU 53 Cb -0.00 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 1owg s LEU 53 CO 0.05 0.21 -0.15 -1.00 0.23 0.00 0.00 176.35 175.69 1owg s HIS 54 N -0.55 2.70 0.30 0.29 3.76 -0.00 -4.93 115.29 116.86 1owg s HIS 54 Ca 0.07 -0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 54.55 1owg s HIS 54 Cb -0.08 -1.66 -0.09 0.00 1.11 0.00 0.00 32.58 31.86 1owg s HIS 54 CO -0.00 0.10 0.75 -0.47 -0.85 0.00 0.00 174.74 174.27 1owg s TYR 55 N -0.53 3.44 -0.16 1.40 5.04 -1.26 -0.41 117.35 124.88 1owg s TYR 55 Ca 0.07 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 1owg s TYR 55 Cb -0.12 -2.58 0.03 0.00 0.35 0.00 0.00 41.96 39.65 1owg s TYR 55 CO 0.01 0.15 -0.09 1.03 -1.34 0.00 0.00 175.55 175.31 1owg s ARG 56 N -2.72 1.79 0.67 4.97 1.81 0.23 -4.93 118.95 120.78 1owg s ARG 56 Ca 0.52 -0.54 -0.17 0.00 -1.72 0.00 0.00 55.73 53.82 1owg s ARG 56 Cb -0.12 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 1owg s ARG 56 CO 0.18 -0.35 1.24 0.00 -0.68 0.00 0.00 175.30 175.70 1owg s ALA 57 N 1.56 2.30 0.76 2.13 0.00 -1.26 -1.25 121.76 126.00 1owg s ALA 57 Ca 0.02 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1owg s ALA 57 Cb -0.14 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.53 1owg s ALA 57 CO -0.09 -1.63 1.17 -0.35 0.00 0.00 0.00 175.76 174.86 1owg n PRO 58 N -2.17 0.42 -3.55 0.00 -0.04 -1.26 -4.58 135.00 123.81 1owg n PRO 58 Ca 0.14 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.66 1owg n PRO 58 Cb 0.49 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.48 1owg n PRO 58 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1owg s ARG 59 N -3.82 0.89 -0.37 0.54 1.70 -0.06 -4.89 118.95 112.94 1owg s ARG 59 Ca 0.75 0.30 -0.29 0.00 -0.47 0.00 0.00 55.73 56.03 1owg s ARG 59 Cb -0.32 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1owg s ARG 59 CO 0.49 -0.26 1.07 0.99 -1.08 0.00 0.00 175.30 176.51 1owg s THR 60 N -0.98 4.44 0.00 4.99 2.01 -1.26 -1.07 115.64 123.76 1owg s THR 60 Ca -0.07 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.45 1owg s THR 60 Cb -0.01 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 68.05 1owg s THR 60 CO 0.06 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 1owg n GLY 61 N 4.22 2.67 3.12 4.40 0.00 0.59 -4.94 105.19 115.25 1owg n GLY 61 Ca 0.11 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 1owg n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1owg s ARG 62 N -0.61 0.51 -0.50 1.61 1.81 -1.26 -1.77 118.95 118.73 1owg s ARG 62 Ca 0.00 -0.41 -0.27 0.00 -1.72 0.00 0.00 55.73 53.33 1owg s ARG 62 Cb 0.00 0.21 0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1owg s ARG 62 CO 0.00 -0.12 1.06 1.21 -0.68 0.00 0.00 175.30 176.76 1owg s ASN 63 N -1.43 6.51 0.49 0.23 3.84 -0.17 -4.86 114.94 119.55 1owg s ASN 63 Ca -0.14 0.17 0.30 0.00 0.21 0.00 0.00 52.86 53.39 1owg s ASN 63 Cb -0.07 -2.50 1.61 0.00 -0.55 0.00 0.00 41.25 39.74 1owg s ASN 63 CO 0.01 -1.23 1.89 1.55 -2.79 0.00 0.00 177.10 176.53 1owg h PRO 64 N 9.26 0.00 0.07 0.43 0.13 -1.95 0.28 132.00 140.22 1owg h PRO 64 Ca -0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.61 1owg h PRO 64 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1owg h PRO 64 CO 1.10 0.00 -1.47 -0.22 -0.23 0.00 0.00 178.00 177.19 1owg h LYS 65 N 0.00 0.14 0.00 0.86 3.64 -1.97 -3.41 116.57 115.83 1owg h LYS 65 Ca 0.00 -0.25 -0.36 0.00 -1.27 0.00 0.00 60.65 58.78 1owg h LYS 65 Cb 0.19 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1owg h LYS 65 CO 0.00 1.12 -2.27 0.25 -2.27 0.00 0.00 179.45 176.28 1owg n THR 66 N -4.03 1.45 0.00 1.00 -2.24 -1.04 -4.98 114.28 104.44 1owg n THR 66 Ca -0.29 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1owg n THR 66 Cb 0.84 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1owg n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1owg n GLY 67 N 1.78 0.62 3.73 3.38 0.00 0.95 -5.03 105.19 110.62 1owg n GLY 67 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1owg n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1owg n ASP 68 N 0.00 3.02 -4.80 1.61 8.00 -1.26 -4.63 116.55 118.49 1owg n ASP 68 Ca 0.00 1.17 -0.31 0.00 0.71 0.00 0.00 54.79 56.36 1owg n ASP 68 Cb 0.00 -1.54 0.07 0.00 -0.02 0.00 0.00 41.12 39.63 1owg n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1owg s LYS 69 N -2.10 2.56 -0.15 -1.24 1.02 -1.26 -1.00 119.74 117.57 1owg s LYS 69 Ca 0.57 0.99 -0.08 0.00 0.02 0.00 0.00 55.97 57.47 1owg s LYS 69 Cb -0.51 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1owg s LYS 69 CO 0.61 -1.38 0.35 0.54 -0.92 0.00 0.00 175.35 174.55 1owg s VAL 70 N -3.01 -0.05 -0.20 3.17 0.11 -0.73 -4.77 120.40 114.94 1owg s VAL 70 Ca 0.60 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.54 1owg s VAL 70 Cb -0.15 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1owg s VAL 70 CO 0.55 0.05 0.72 -1.61 -3.33 0.00 0.00 175.10 171.48 1owg s GLU 71 N 1.38 4.23 -0.24 1.54 0.41 -1.26 -0.30 118.70 124.46 1owg s GLU 71 Ca -0.09 0.78 -0.06 0.00 -0.41 0.00 0.00 54.97 55.19 1owg s GLU 71 Cb -0.09 -3.59 -0.02 0.00 -1.78 0.00 0.00 34.13 28.65 1owg s GLU 71 CO -0.11 -0.31 0.04 -0.51 -0.49 0.00 0.00 175.26 173.88 1owg s LEU 72 N 2.14 3.31 0.67 1.80 1.43 -0.23 -4.94 118.68 122.85 1owg s LEU 72 Ca 0.32 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 1owg s LEU 72 Cb -0.16 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1owg s LEU 72 CO 0.11 -0.03 1.08 -1.61 0.23 0.00 0.00 176.35 176.13 1owg s GLU 73 N 1.55 2.91 0.75 1.70 2.02 -1.26 -0.88 118.70 125.47 1owg s GLU 73 Ca 0.06 1.18 -0.13 0.00 0.02 0.00 0.00 54.97 56.10 1owg s GLU 73 Cb -0.15 -1.98 0.05 0.00 0.10 0.00 0.00 34.13 32.15 1owg s GLU 73 CO 0.02 -1.14 1.14 0.20 0.02 0.00 0.00 175.26 175.50 1owg s GLY 74 N -3.09 2.05 0.34 -1.39 0.00 -1.26 -4.57 107.32 99.40 1owg s GLY 74 Ca 0.63 0.61 -0.17 0.00 0.00 0.00 0.00 44.72 45.78 1owg s GLY 74 CO 0.46 0.99 0.83 -1.59 0.00 0.00 0.00 173.10 173.79 1owg s LYS 75 N -4.28 2.04 -0.04 2.90 -2.85 -0.38 -4.91 119.74 112.22 1owg s LYS 75 Ca 0.68 -1.30 0.07 0.00 -1.00 0.00 0.00 55.97 54.42 1owg s LYS 75 Cb -0.23 0.58 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1owg s LYS 75 CO 0.48 -0.95 -0.24 0.71 0.10 0.00 0.00 175.35 175.44 1owg s TYR 76 N -2.41 2.41 0.13 1.78 2.02 -1.26 0.77 117.35 120.78 1owg s TYR 76 Ca 0.16 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.42 1owg s TYR 76 Cb -0.05 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1owg s TYR 76 CO 0.10 -0.08 -0.18 0.14 -1.57 0.00 0.00 175.55 173.96 1owg s VAL 77 N -0.46 1.64 0.67 0.71 -7.23 0.46 -4.93 120.40 111.25 1owg s VAL 77 Ca 0.05 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 1owg s VAL 77 Cb -0.11 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1owg s VAL 77 CO 0.01 -0.26 1.16 -2.84 -0.31 0.00 0.00 175.10 172.86 1owg s PRO 78 N -2.44 2.63 -0.18 4.82 0.02 -1.26 -0.82 135.00 137.77 1owg s PRO 78 Ca 0.10 1.59 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 1owg s PRO 78 Cb -0.07 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1owg s PRO 78 CO 0.05 -1.42 0.43 -1.58 -0.33 0.00 0.00 177.00 174.15 1owg s HIS 79 N -2.08 -0.66 -0.10 6.54 2.46 -0.70 -4.75 115.29 116.00 1owg s HIS 79 Ca 0.71 1.37 0.02 0.00 0.47 0.00 0.00 55.06 57.63 1owg s HIS 79 Cb -0.25 0.30 -0.02 0.00 -0.13 0.00 0.00 32.58 32.48 1owg s HIS 79 CO 0.40 -0.37 -0.15 0.12 -2.47 0.00 0.00 174.74 172.27 1owg s PHE 80 N 1.57 2.74 -0.20 3.88 5.36 -1.26 -1.53 117.98 128.53 1owg s PHE 80 Ca -0.09 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.34 1owg s PHE 80 Cb -0.09 -1.76 0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1owg s PHE 80 CO -0.13 -0.13 -0.17 0.21 -1.46 0.00 0.00 175.22 173.53 1owg s LYS 81 N 0.05 2.78 0.30 10.12 2.20 -0.53 -4.98 119.74 129.68 1owg s LYS 81 Ca -0.06 -0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 1owg s LYS 81 Cb -0.15 -2.67 -0.10 0.00 -1.51 0.00 0.00 37.83 33.40 1owg s LYS 81 CO 0.05 -0.31 1.42 -2.14 -0.36 0.00 0.00 175.35 174.01 1owg s PRO 82 N 1.24 4.25 0.71 4.03 0.02 -1.26 -1.45 135.00 142.53 1owg s PRO 82 Ca 0.01 2.36 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 1owg s PRO 82 Cb -0.15 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.33 1owg s PRO 82 CO -0.11 -0.39 1.08 0.20 -0.33 0.00 0.00 177.00 177.45 1owg s GLY 83 N 0.02 1.64 0.13 0.52 0.00 0.53 -4.72 107.32 105.44 1owg s GLY 83 Ca 0.55 -0.17 -0.31 0.00 0.00 0.00 0.00 44.72 44.80 1owg s GLY 83 CO 0.51 0.19 1.56 1.70 0.00 0.00 0.00 173.10 177.06 1owg h LYS 84 N -0.73 -0.44 -0.36 2.90 3.64 -1.88 0.47 116.57 120.17 1owg h LYS 84 Ca -0.45 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.03 1owg h LYS 84 Cb 1.24 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 1owg h LYS 84 CO 0.61 -0.29 -0.14 1.49 -2.27 0.00 0.00 179.45 178.84 1owg h GLU 85 N -0.46 -0.07 -0.83 1.90 4.81 -1.94 -0.65 114.58 117.36 1owg h GLU 85 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1owg h GLU 85 Cb 0.63 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1owg h GLU 85 CO -0.50 -0.04 0.40 1.25 -0.73 0.00 0.00 179.01 179.38 1owg h LEU 86 N -0.07 1.08 -0.41 1.64 5.85 -0.77 -1.07 115.31 121.56 1owg h LEU 86 Ca 0.18 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1owg h LEU 86 Cb 0.34 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1owg h LEU 86 CO -0.41 0.91 0.20 0.03 -0.34 0.00 0.00 178.44 178.83 1owg h ARG 87 N 1.17 0.39 0.22 1.25 3.08 0.96 -2.43 114.38 119.01 1owg h ARG 87 Ca 0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1owg h ARG 87 Cb 0.11 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1owg h ARG 87 CO -0.04 0.26 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.58 1owg h ASP 88 N 0.40 -0.25 -0.17 7.04 3.32 -0.90 -1.97 116.42 123.90 1owg h ASP 88 Ca 0.18 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1owg h ASP 88 Cb 0.09 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1owg h ASP 88 CO -0.13 0.17 0.20 0.03 -1.72 0.00 0.00 179.24 177.79 1owg h ARG 89 N -0.72 0.00 0.08 3.56 3.08 -1.21 -2.16 114.38 117.02 1owg h ARG 89 Ca -0.03 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.70 1owg h ARG 89 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1owg h ARG 89 CO 0.05 0.00 -1.71 0.00 -1.07 0.00 0.00 179.97 177.24 1owg h ALA 90 N 1.76 0.48 -1.34 0.04 0.00 -1.41 -3.44 119.26 115.36 1owg h ALA 90 Ca 0.08 -1.30 -0.52 0.00 0.00 0.00 0.00 54.91 53.17 1owg h ALA 90 Cb 0.47 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1owg h ALA 90 CO -0.00 1.33 1.18 1.21 0.00 0.00 0.00 179.25 182.97 1owg s ASN 91 N -6.72 5.85 0.17 0.00 2.47 -0.74 -4.85 114.94 111.12 1owg s ASN 91 Ca -0.11 -0.32 -0.05 0.00 0.42 0.00 0.00 52.86 52.80 1owg s ASN 91 Cb 0.07 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.37 1owg s ASN 91 CO 0.82 -2.03 1.46 0.16 -3.72 0.00 0.00 177.10 173.79 1owg h ILE 92 N 6.45 1.31 -4.08 -5.21 3.07 -1.85 -3.45 117.51 113.76 1owg h ILE 92 Ca -0.20 -1.83 -0.55 0.00 1.55 0.00 0.00 64.86 63.82 1owg h ILE 92 Cb 1.08 1.80 0.15 0.00 -0.27 0.00 0.00 36.82 39.57 1owg h ILE 92 CO 1.27 0.57 0.57 -0.31 -1.05 0.00 0.00 178.15 179.21 1owg s TYR 93 N -3.96 2.19 0.00 0.16 1.51 -1.26 -5.20 117.35 110.78 1owg s TYR 93 Ca -0.08 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.40 1owg s TYR 93 Cb 0.11 -3.76 0.00 0.00 -0.11 0.00 0.00 41.96 38.19 1owg s TYR 93 CO 0.86 -2.94 0.00 0.41 -1.11 0.00 0.00 175.55 172.77