#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofk s VAL 1 N 0.00 -0.07 0.23 3.17 1.01 -1.26 -5.06 120.40 118.42 1ofk s VAL 1 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 1ofk s VAL 1 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 36.38 36.16 1ofk s VAL 1 CO 0.00 0.10 0.62 -0.76 0.00 0.00 0.00 175.10 175.05 1ofk s LEU 2 N 1.28 4.20 0.72 3.92 1.02 -1.26 -5.08 118.68 123.48 1ofk s LEU 2 Ca -0.07 1.10 -0.11 0.00 0.02 0.00 0.00 54.13 55.07 1ofk s LEU 2 Cb -0.12 -3.68 0.03 0.00 0.02 0.00 0.00 46.19 42.43 1ofk s LEU 2 CO -0.04 -0.06 1.10 -0.94 0.02 0.00 0.00 176.35 176.44 1ofk s SER 3 N -2.12 5.28 0.32 2.29 1.04 -1.26 -4.90 113.70 114.35 1ofk s SER 3 Ca 0.46 1.05 0.01 0.00 0.48 0.00 0.00 55.95 57.95 1ofk s SER 3 Cb -0.12 -1.80 0.53 0.00 0.10 0.00 0.00 66.02 64.73 1ofk s SER 3 CO 0.20 -1.43 1.92 -0.08 0.98 0.00 0.00 173.24 174.83 1ofk h GLU 4 N -0.71 0.81 -0.69 4.02 4.57 -1.99 -2.04 114.58 118.55 1ofk h GLU 4 Ca -0.45 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 57.59 1ofk h GLU 4 Cb 1.27 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1ofk h GLU 4 CO 0.64 0.64 0.29 0.78 -1.18 0.00 0.00 179.01 180.18 1ofk h GLY 5 N 0.91 1.08 0.97 1.92 0.00 -2.00 -0.45 103.07 105.50 1ofk h GLY 5 Ca 0.20 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1ofk h GLY 5 CO -0.02 0.52 -0.13 0.83 0.00 0.00 0.00 176.54 177.74 1ofk h GLU 6 N 0.99 0.74 -0.81 4.80 5.08 -1.79 -2.60 114.58 120.99 1ofk h GLU 6 Ca 0.23 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ofk h GLU 6 Cb 0.17 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1ofk h GLU 6 CO -0.02 0.90 0.49 -1.49 -1.00 0.00 0.00 179.01 177.89 1ofk h TRP 7 N 0.53 1.06 -0.68 4.33 4.06 -0.98 -1.76 115.95 122.51 1ofk h TRP 7 Ca 0.09 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 1ofk h TRP 7 Cb 0.65 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.43 1ofk h TRP 7 CO 0.05 0.70 0.27 1.96 -3.56 0.00 0.00 178.44 177.87 1ofk h GLN 8 N 1.11 0.99 -0.60 0.49 1.08 -0.86 0.12 115.11 117.44 1ofk h GLN 8 Ca 0.29 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.23 1ofk h GLN 8 Cb -0.06 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 1ofk h GLN 8 CO -0.06 0.81 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.56 1ofk h LEU 9 N 0.98 1.04 0.06 1.46 3.38 -1.02 -0.55 115.31 120.65 1ofk h LEU 9 Ca 0.23 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ofk h LEU 9 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ofk h LEU 9 CO -0.02 1.09 -0.03 0.58 0.09 0.00 0.00 178.44 180.15 1ofk h VAL 10 N 0.97 1.16 0.00 1.22 2.07 -0.89 -2.91 116.25 117.87 1ofk h VAL 10 Ca 0.17 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1ofk h VAL 10 Cb 0.56 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1ofk h VAL 10 CO 0.03 0.20 -0.22 -0.07 0.02 0.00 0.00 177.57 177.53 1ofk h LEU 11 N -0.44 0.00 -0.18 2.57 3.38 -0.96 -1.04 115.31 118.65 1ofk h LEU 11 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ofk h LEU 11 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ofk h LEU 11 CO 0.01 0.22 -0.13 -0.74 0.09 0.00 0.00 178.44 177.89 1ofk h HIS 12 N 0.00 0.48 -0.02 1.13 2.76 -1.06 -1.42 115.15 117.02 1ofk h HIS 12 Ca -0.00 -0.13 -0.15 0.00 -2.20 0.00 0.00 60.37 57.88 1ofk h HIS 12 Cb 0.63 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1ofk h HIS 12 CO 0.00 0.75 -0.69 -0.24 -1.30 0.00 0.00 177.93 176.45 1ofk h VAL 13 N 0.08 1.46 -0.21 5.26 3.04 -1.31 -2.97 116.25 121.60 1ofk h VAL 13 Ca 0.03 -2.29 -0.05 0.00 -1.01 0.00 0.00 66.70 63.39 1ofk h VAL 13 Cb 0.65 2.23 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 1ofk h VAL 13 CO 0.04 0.66 -0.09 -0.25 -1.01 0.00 0.00 177.57 176.92 1ofk h TRP 14 N 0.06 0.35 -0.33 3.17 2.91 -1.06 -1.71 115.95 119.35 1ofk h TRP 14 Ca -0.01 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1ofk h TRP 14 Cb 1.23 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.76 1ofk h TRP 14 CO 0.01 0.43 0.13 0.00 -1.03 0.00 0.00 178.44 177.98 1ofk h ALA 15 N 1.59 1.62 -0.10 2.65 0.00 -1.09 -0.57 119.26 123.36 1ofk h ALA 15 Ca 0.07 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1ofk h ALA 15 Cb 0.36 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ofk h ALA 15 CO 0.02 0.30 -0.76 0.87 0.00 0.00 0.00 179.25 179.68 1ofk h LYS 16 N 0.46 0.69 -0.86 0.00 1.79 -1.38 -3.12 116.57 114.15 1ofk h LYS 16 Ca 0.12 -0.61 0.06 0.00 -2.18 0.00 0.00 60.65 58.04 1ofk h LYS 16 Cb 0.09 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.82 1ofk h LYS 16 CO -0.01 1.22 0.54 0.28 -1.08 0.00 0.00 179.45 180.39 1ofk h VAL 17 N 0.38 1.05 0.00 0.50 2.07 -0.78 -2.10 116.25 117.36 1ofk h VAL 17 Ca -0.07 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ofk h VAL 17 Cb 1.40 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ofk h VAL 17 CO 0.15 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 1ofk n GLU 18 N -4.62 0.05 0.20 1.57 1.02 -0.28 -1.57 120.64 117.01 1ofk n GLU 18 Ca 0.12 0.42 0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1ofk n GLU 18 Cb 0.17 -1.63 0.51 0.00 -0.02 0.00 0.00 31.44 30.48 1ofk n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ofk h ALA 19 N 2.22 1.00 -1.05 0.62 0.00 -1.41 -3.36 119.26 117.29 1ofk h ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1ofk h ALA 19 Cb 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.69 1ofk h ALA 19 CO 0.00 0.00 -0.76 -3.47 0.00 0.00 0.00 179.25 175.02 1ofk n ASP 20 N -2.70 -1.65 -0.17 0.00 2.03 -0.61 -5.01 116.55 108.44 1ofk n ASP 20 Ca 0.02 -2.96 -0.08 0.00 0.52 0.00 0.00 54.79 52.29 1ofk n ASP 20 Cb 0.33 0.72 0.01 0.00 -0.72 0.00 0.00 41.12 41.46 1ofk n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ofk h VAL 21 N 3.02 1.19 -0.43 5.18 2.07 -1.71 -2.18 116.25 123.39 1ofk h VAL 21 Ca -0.01 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1ofk h VAL 21 Cb 0.97 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1ofk h VAL 21 CO 0.34 0.22 0.17 0.00 0.02 0.00 0.00 177.57 178.32 1ofk h ALA 22 N 1.07 0.56 -0.41 1.67 0.00 -1.92 -0.06 119.26 120.16 1ofk h ALA 22 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ofk h ALA 22 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ofk h ALA 22 CO -0.02 0.17 0.14 0.78 0.00 0.00 0.00 179.25 180.31 1ofk h GLY 23 N 0.55 0.69 1.22 0.00 0.00 -1.93 -1.67 103.07 101.92 1ofk h GLY 23 Ca 0.14 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1ofk h GLY 23 CO -0.01 0.37 -0.08 0.45 0.00 0.00 0.00 176.54 177.27 1ofk h HIS 24 N 0.53 1.02 -0.58 5.60 3.86 -1.30 -1.79 115.15 122.49 1ofk h HIS 24 Ca 0.13 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1ofk h HIS 24 Cb 0.25 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 1ofk h HIS 24 CO 0.01 0.95 0.38 0.78 0.86 0.00 0.00 177.93 180.91 1ofk h GLY 25 N 0.97 0.82 0.90 2.45 0.00 -0.79 -1.07 103.07 106.35 1ofk h GLY 25 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ofk h GLY 25 CO 0.04 0.30 -0.09 1.46 0.00 0.00 0.00 176.54 178.26 1ofk h GLN 26 N 0.78 -0.23 -0.55 4.80 4.20 -1.17 -2.41 115.11 120.53 1ofk h GLN 26 Ca 0.21 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.02 1ofk h GLN 26 Cb -0.08 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 1ofk h GLN 26 CO -0.04 -0.07 0.18 -0.44 -0.67 0.00 0.00 178.83 177.78 1ofk h ASP 27 N -0.34 0.15 -0.22 1.46 3.32 -1.13 -1.29 116.42 118.36 1ofk h ASP 27 Ca -0.02 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ofk h ASP 27 Cb 0.27 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1ofk h ASP 27 CO 0.04 0.10 0.09 0.40 -1.72 0.00 0.00 179.24 178.15 1ofk h ILE 28 N 0.34 1.16 -0.42 0.35 2.04 -1.14 -1.25 117.51 118.60 1ofk h ILE 28 Ca 0.27 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 1ofk h ILE 28 Cb 0.34 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ofk h ILE 28 CO -0.30 0.16 -0.20 -0.07 0.00 0.00 0.00 178.15 177.74 1ofk h LEU 29 N 0.21 0.84 -0.44 1.44 3.38 -1.21 -0.63 115.31 118.89 1ofk h LEU 29 Ca 0.07 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1ofk h LEU 29 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ofk h LEU 29 CO -0.01 1.02 -0.11 0.40 0.09 0.00 0.00 178.44 179.84 1ofk h ILE 30 N 0.72 1.27 -0.47 1.22 2.04 -1.22 -0.34 117.51 120.73 1ofk h ILE 30 Ca 0.10 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1ofk h ILE 30 Cb 0.73 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1ofk h ILE 30 CO 0.06 0.41 0.29 -0.09 0.00 0.00 0.00 178.15 178.82 1ofk h ARG 31 N 0.68 0.57 0.06 2.37 9.65 -1.02 0.03 114.38 126.72 1ofk h ARG 31 Ca 0.11 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1ofk h ARG 31 Cb 0.64 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1ofk h ARG 31 CO 0.04 0.38 -0.07 1.25 2.80 0.00 0.00 179.97 184.37 1ofk h LEU 32 N 0.59 -0.19 -1.11 3.80 5.85 -0.79 -0.90 115.31 122.57 1ofk h LEU 32 Ca 0.18 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1ofk h LEU 32 Cb -0.02 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ofk h LEU 32 CO -0.07 -0.11 0.24 -0.26 -0.34 0.00 0.00 178.44 177.90 1ofk h PHE 33 N -0.15 0.87 -0.15 1.25 0.04 -0.75 0.70 116.94 118.75 1ofk h PHE 33 Ca 0.01 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1ofk h PHE 33 Cb 0.15 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1ofk h PHE 33 CO -0.11 0.67 -0.32 0.87 -0.60 0.00 0.00 178.31 178.82 1ofk h LYS 34 N 0.85 0.48 -0.18 1.51 1.57 -0.83 -2.55 116.57 117.42 1ofk h LYS 34 Ca 0.20 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 1ofk h LYS 34 Cb 0.17 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1ofk h LYS 34 CO -0.02 0.93 -0.49 0.77 -0.57 0.00 0.00 179.45 180.07 1ofk h SER 35 N 0.09 0.53 -2.28 0.86 0.02 -0.99 -3.38 113.55 108.40 1ofk h SER 35 Ca 0.00 -0.26 -0.58 0.00 -0.84 0.00 0.00 61.79 60.10 1ofk h SER 35 Cb 0.93 -0.15 -0.38 0.00 0.14 0.00 0.00 62.40 62.93 1ofk h SER 35 CO 0.07 0.94 -1.00 1.41 -1.14 0.00 0.00 176.83 177.10 1ofk n HIS 36 N -3.98 -0.72 -0.04 3.45 8.25 0.22 -4.99 115.22 117.41 1ofk n HIS 36 Ca -0.02 -3.38 0.24 0.00 -0.26 0.00 0.00 57.72 54.30 1ofk n HIS 36 Cb 0.56 0.10 0.71 0.00 1.12 0.00 0.00 29.99 32.48 1ofk n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ofk h PRO 37 N 5.22 0.00 0.00 -0.41 0.11 -1.65 -0.62 132.00 134.64 1ofk h PRO 37 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1ofk h PRO 37 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ofk h PRO 37 CO 0.40 0.00 -0.10 1.05 -0.21 0.00 0.00 178.00 179.14 1ofk h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.93 -1.25 114.58 121.54 1ofk h GLU 38 Ca 0.31 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.65 1ofk h GLU 38 Cb 1.51 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.60 1ofk h GLU 38 CO -0.00 0.10 -0.35 1.79 0.05 0.00 0.00 179.01 180.60 1ofk h THR 39 N 0.00 1.00 -0.20 -1.06 1.35 -1.45 -2.69 112.91 109.86 1ofk h THR 39 Ca -0.00 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.52 1ofk h THR 39 Cb 0.22 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1ofk h THR 39 CO 0.01 0.34 -0.06 0.25 -0.25 0.00 0.00 175.52 175.81 1ofk h LEU 40 N 0.00 0.28 -2.35 3.87 5.85 -1.38 -2.48 115.31 119.10 1ofk h LEU 40 Ca -0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ofk h LEU 40 Cb 0.73 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ofk h LEU 40 CO 0.05 0.39 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.16 1ofk h GLU 41 N 0.29 0.00 0.00 1.25 5.08 -1.54 -1.09 114.58 118.57 1ofk h GLU 41 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ofk h GLU 41 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ofk h GLU 41 CO 0.01 0.04 0.00 0.87 -1.00 0.00 0.00 179.01 178.93 1ofk h LYS 42 N 0.00 0.00 -3.76 2.33 1.79 -1.57 -3.39 116.57 111.96 1ofk h LYS 42 Ca -0.00 0.00 -0.78 0.00 -2.18 0.00 0.00 60.65 57.69 1ofk h LYS 42 Cb 0.14 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.52 1ofk h LYS 42 CO 0.01 0.00 0.07 -1.01 -1.08 0.00 0.00 179.45 177.44 1ofk s HIS 43 N -3.23 3.77 0.57 -1.35 3.76 -0.41 -4.88 115.29 113.51 1ofk s HIS 43 Ca 0.07 -2.17 0.28 0.00 -0.15 0.00 0.00 55.06 53.09 1ofk s HIS 43 Cb 0.10 -3.74 1.50 0.00 1.11 0.00 0.00 32.58 31.56 1ofk s HIS 43 CO 0.52 -0.96 1.99 -0.44 -0.85 0.00 0.00 174.74 174.99 1ofk h ASP 44 N 7.55 0.00 0.54 1.40 3.32 -1.82 0.16 116.42 127.57 1ofk h ASP 44 Ca 0.10 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1ofk h ASP 44 Cb 1.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1ofk h ASP 44 CO 0.77 0.00 -0.55 -0.09 -1.72 0.00 0.00 179.24 177.65 1ofk h ARG 45 N 0.00 0.02 -0.00 3.56 2.43 -1.93 -3.34 114.38 115.12 1ofk h ARG 45 Ca 0.20 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1ofk h ARG 45 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1ofk h ARG 45 CO -0.00 0.56 -0.00 1.19 -1.51 0.00 0.00 179.97 180.21 1ofk n PHE 46 N -3.88 0.00 -0.20 2.20 3.72 0.33 -4.77 117.46 114.86 1ofk n PHE 46 Ca -0.01 0.00 0.30 0.00 -0.05 0.00 0.00 57.45 57.69 1ofk n PHE 46 Cb 0.56 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.80 1ofk n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ofk h LYS 47 N 0.21 0.00 0.00 -1.08 1.57 -1.05 -1.65 116.57 114.56 1ofk h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ofk h LYS 47 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ofk h LYS 47 CO 0.00 0.00 -0.17 1.12 -0.57 0.00 0.00 179.45 179.83 1ofk h HIS 48 N 0.00 0.00 -2.67 -1.35 2.07 -1.86 -3.46 115.15 107.87 1ofk h HIS 48 Ca 0.46 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.45 1ofk h HIS 48 Cb 2.11 0.00 0.05 0.00 2.57 0.00 0.00 27.41 32.14 1ofk h HIS 48 CO 0.00 0.00 1.00 -0.51 -3.07 0.00 0.00 177.93 175.35 1ofk s LEU 49 N -4.70 4.38 -0.16 6.12 1.43 -0.62 -4.91 118.68 120.21 1ofk s LEU 49 Ca 0.09 2.76 0.16 0.00 -1.03 0.00 0.00 54.13 56.11 1ofk s LEU 49 Cb 0.12 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.52 1ofk s LEU 49 CO 0.64 -0.94 0.10 0.29 0.23 0.00 0.00 176.35 176.67 1ofk n LYS 50 N 4.49 1.01 -4.33 1.70 5.02 -1.26 -5.04 118.16 119.75 1ofk n LYS 50 Ca 0.16 -0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.25 1ofk n LYS 50 Cb 0.37 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1ofk n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ofk s THR 51 N -2.54 0.95 0.35 -0.18 -4.23 -1.26 -5.03 115.64 103.70 1ofk s THR 51 Ca -0.09 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1ofk s THR 51 Cb 0.06 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.63 1ofk s THR 51 CO 0.75 -0.26 1.87 -0.08 -0.54 0.00 0.00 174.62 176.35 1ofk h GLU 52 N 2.44 0.39 -0.69 3.99 4.81 -1.99 -1.66 114.58 121.87 1ofk h GLU 52 Ca -0.38 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 1ofk h GLU 52 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1ofk h GLU 52 CO 0.64 0.50 0.18 0.00 -0.73 0.00 0.00 179.01 179.60 1ofk h ALA 53 N 1.53 1.01 -0.43 2.92 0.00 -1.99 0.66 119.26 122.96 1ofk h ALA 53 Ca 0.07 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1ofk h ALA 53 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ofk h ALA 53 CO 0.02 0.65 -0.15 0.93 0.00 0.00 0.00 179.25 180.70 1ofk h GLU 54 N 1.04 0.81 -0.36 0.00 5.08 -1.78 -2.39 114.58 116.98 1ofk h GLU 54 Ca 0.22 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1ofk h GLU 54 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ofk h GLU 54 CO -0.00 0.92 0.08 0.52 -1.00 0.00 0.00 179.01 179.53 1ofk h MET 55 N 0.73 0.58 -0.12 2.33 2.86 -0.63 -2.40 114.93 118.28 1ofk h MET 55 Ca 0.11 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1ofk h MET 55 Cb 0.66 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1ofk h MET 55 CO 0.05 0.63 0.03 0.87 1.06 0.00 0.00 176.91 179.55 1ofk h LYS 56 N 0.43 0.17 0.00 1.72 1.57 -0.74 -2.41 116.57 117.31 1ofk h LYS 56 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ofk h LYS 56 Cb 0.32 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ofk h LYS 56 CO 0.00 0.16 -0.35 0.00 -0.57 0.00 0.00 179.45 178.69 1ofk n ALA 57 N -2.51 2.68 -2.24 3.86 0.00 -0.92 -4.85 120.51 116.53 1ofk n ALA 57 Ca -0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1ofk n ALA 57 Cb 0.12 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1ofk n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ofk s SER 58 N -4.24 6.54 0.32 0.00 0.15 -0.91 -4.88 113.70 110.68 1ofk s SER 58 Ca 0.08 1.51 0.14 0.00 0.70 0.00 0.00 55.95 58.38 1ofk s SER 58 Cb 0.13 -2.54 0.51 0.00 -1.71 0.00 0.00 66.02 62.42 1ofk s SER 58 CO 0.66 -1.14 1.67 1.05 1.20 0.00 0.00 173.24 176.68 1ofk h GLU 59 N 9.98 0.00 -0.44 5.44 4.11 -1.88 -2.63 114.58 129.15 1ofk h GLU 59 Ca -0.31 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.06 1ofk h GLU 59 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1ofk h GLU 59 CO 1.01 0.50 0.04 -0.44 0.07 0.00 0.00 179.01 180.19 1ofk h ASP 60 N 0.00 0.74 -0.61 3.06 5.19 -1.96 -1.13 116.42 121.69 1ofk h ASP 60 Ca -0.01 -0.28 -0.08 0.00 -0.62 0.00 0.00 57.03 56.04 1ofk h ASP 60 Cb 0.99 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 1ofk h ASP 60 CO 0.07 0.84 0.06 0.25 -3.12 0.00 0.00 179.24 177.34 1ofk h LEU 61 N 0.61 1.02 -0.86 1.55 6.46 -1.87 -1.44 115.31 120.78 1ofk h LEU 61 Ca 0.13 -0.26 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 1ofk h LEU 61 Cb 0.44 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1ofk h LEU 61 CO 0.02 1.03 0.28 0.50 -0.62 0.00 0.00 178.44 179.65 1ofk h LYS 62 N 0.98 1.12 -0.59 1.25 3.64 -1.27 -0.23 116.57 121.46 1ofk h LYS 62 Ca 0.19 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1ofk h LYS 62 Cb 0.47 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1ofk h LYS 62 CO 0.02 0.92 -0.02 0.87 -2.27 0.00 0.00 179.45 178.97 1ofk h LYS 63 N 1.09 1.06 -0.68 1.90 1.57 -0.94 -2.18 116.57 118.38 1ofk h LYS 63 Ca 0.25 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1ofk h LYS 63 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1ofk h LYS 63 CO -0.02 1.04 0.14 1.25 -0.57 0.00 0.00 179.45 181.29 1ofk h LEU 64 N 0.96 1.05 -0.78 2.94 5.85 -0.85 -1.75 115.31 122.74 1ofk h LEU 64 Ca 0.17 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ofk h LEU 64 Cb 0.58 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1ofk h LEU 64 CO 0.03 1.02 0.51 1.23 -0.34 0.00 0.00 178.44 180.89 1ofk h GLY 65 N 1.06 1.12 0.96 3.75 0.00 -0.67 0.03 103.07 109.33 1ofk h GLY 65 Ca 0.21 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1ofk h GLY 65 CO 0.01 0.35 0.07 -2.08 0.00 0.00 0.00 176.54 174.89 1ofk h VAL 66 N 1.01 1.25 -0.61 4.60 2.07 -1.09 -1.77 116.25 121.71 1ofk h VAL 66 Ca 0.30 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ofk h VAL 66 Cb -0.04 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1ofk h VAL 66 CO -0.09 0.32 0.36 0.74 0.02 0.00 0.00 177.57 178.92 1ofk h THR 67 N 0.62 1.18 -0.06 2.57 2.02 -0.86 -0.78 112.91 117.60 1ofk h THR 67 Ca 0.14 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1ofk h THR 67 Cb 0.39 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ofk h THR 67 CO 0.01 0.19 0.02 0.58 0.37 0.00 0.00 175.52 176.69 1ofk h VAL 68 N 0.82 1.16 -0.22 3.16 2.07 -0.83 -1.81 116.25 120.59 1ofk h VAL 68 Ca 0.22 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1ofk h VAL 68 Cb -0.01 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1ofk h VAL 68 CO -0.04 0.13 -0.30 -0.07 0.02 0.00 0.00 177.57 177.31 1ofk h LEU 69 N -0.08 0.45 -0.44 2.57 3.38 -1.23 -0.93 115.31 119.03 1ofk h LEU 69 Ca 0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1ofk h LEU 69 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ofk h LEU 69 CO -0.00 0.74 -0.04 0.74 0.09 0.00 0.00 178.44 179.97 1ofk h THR 70 N 0.39 1.27 -0.43 0.22 2.02 -1.10 0.10 112.91 115.39 1ofk h THR 70 Ca 0.05 -1.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 1ofk h THR 70 Cb 0.73 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1ofk h THR 70 CO 0.06 0.38 -0.12 0.00 0.37 0.00 0.00 175.52 176.21 1ofk h ALA 71 N 0.89 0.59 -0.57 6.16 0.00 -1.12 -1.89 119.26 123.32 1ofk h ALA 71 Ca 0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1ofk h ALA 71 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ofk h ALA 71 CO 0.03 0.49 -0.07 1.25 0.00 0.00 0.00 179.25 180.95 1ofk h LEU 72 N 0.66 1.04 -0.88 0.00 5.85 -1.09 -2.60 115.31 118.31 1ofk h LEU 72 Ca 0.11 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ofk h LEU 72 Cb 0.66 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1ofk h LEU 72 CO 0.05 1.13 0.40 1.23 -0.34 0.00 0.00 178.44 180.90 1ofk h GLY 73 N 0.94 1.30 1.45 3.75 0.00 -0.71 -0.53 103.07 109.27 1ofk h GLY 73 Ca 0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1ofk h GLY 73 CO 0.04 0.61 0.07 0.00 0.00 0.00 0.00 176.54 177.27 1ofk h ALA 74 N 1.24 1.29 -0.06 3.60 0.00 -1.10 -1.72 119.26 122.51 1ofk h ALA 74 Ca 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ofk h ALA 74 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ofk h ALA 74 CO -0.04 0.49 -0.07 0.82 0.00 0.00 0.00 179.25 180.46 1ofk h ILE 75 N 0.66 1.39 -0.85 0.00 2.04 -1.05 -3.20 117.51 116.52 1ofk h ILE 75 Ca 0.14 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.73 1ofk h ILE 75 Cb 0.31 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1ofk h ILE 75 CO 0.00 0.35 0.56 -0.07 0.00 0.00 0.00 178.15 179.00 1ofk h LEU 76 N -0.32 0.95 -0.72 1.44 3.38 -0.91 -1.83 115.31 117.30 1ofk h LEU 76 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ofk h LEU 76 Cb 0.61 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ofk h LEU 76 CO 0.02 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.52 1ofk n LYS 77 N -4.42 0.14 0.06 1.13 5.02 -0.66 -1.40 118.16 118.03 1ofk n LYS 77 Ca 0.10 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 1ofk n LYS 77 Cb 0.04 -1.81 0.50 0.00 -0.02 0.00 0.00 35.03 33.74 1ofk n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ofk n LYS 78 N -2.08 0.15 -3.87 1.97 4.76 -0.69 -4.95 118.16 113.46 1ofk n LYS 78 Ca 0.01 0.13 -0.26 0.00 -2.87 0.00 0.00 58.31 55.32 1ofk n LYS 78 Cb 0.16 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.69 1ofk n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ofk n LYS 79 N -1.94 -4.59 0.00 1.97 5.02 -0.50 -1.79 118.16 116.33 1ofk n LYS 79 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1ofk n LYS 79 Cb 0.39 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 1ofk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ofk n GLY 80 N -1.69 3.44 2.69 0.72 0.00 -1.26 -4.96 105.19 104.13 1ofk n GLY 80 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1ofk n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ofk n HIS 81 N -1.85 2.66 -0.26 1.61 8.25 -0.74 -4.65 115.22 120.23 1ofk n HIS 81 Ca 0.00 -2.74 0.04 0.00 -0.26 0.00 0.00 57.72 54.77 1ofk n HIS 81 Cb 0.00 -1.70 0.11 0.00 1.12 0.00 0.00 29.99 29.53 1ofk n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ofk n HIS 82 N 2.05 0.33 -0.28 4.41 1.44 -1.26 -4.76 115.22 117.14 1ofk n HIS 82 Ca 0.48 -0.57 0.09 0.00 -2.01 0.00 0.00 57.72 55.71 1ofk n HIS 82 Cb 0.29 -0.07 0.22 0.00 0.12 0.00 0.00 29.99 30.55 1ofk n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1ofk h GLU 83 N 1.19 0.15 -0.65 -1.40 9.09 -2.00 -1.09 114.58 119.87 1ofk h GLU 83 Ca 0.00 -0.01 -0.08 0.00 0.05 0.00 0.00 59.36 59.32 1ofk h GLU 83 Cb 0.75 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.79 1ofk h GLU 83 CO 0.02 0.10 0.09 0.00 0.05 0.00 0.00 179.01 179.27 1ofk h ALA 84 N 1.75 0.87 -0.10 1.06 0.00 -2.01 -2.77 119.26 118.07 1ofk h ALA 84 Ca 0.48 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ofk h ALA 84 Cb 0.90 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ofk h ALA 84 CO -0.67 0.65 -0.41 0.93 0.00 0.00 0.00 179.25 179.75 1ofk h GLU 85 N 1.01 0.22 -0.06 0.00 3.07 -1.71 -3.23 114.58 113.88 1ofk h GLU 85 Ca 0.20 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 58.78 1ofk h GLU 85 Cb 0.46 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1ofk h GLU 85 CO 0.02 0.60 -0.71 1.25 -1.40 0.00 0.00 179.01 178.76 1ofk h LEU 86 N 0.18 0.34 0.10 1.33 5.85 -0.96 -3.36 115.31 118.80 1ofk h LEU 86 Ca 0.02 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1ofk h LEU 86 Cb 0.81 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1ofk h LEU 86 CO 0.06 0.94 -0.42 0.11 -0.34 0.00 0.00 178.44 178.79 1ofk h LYS 87 N 0.20 -0.62 0.00 1.25 1.57 -1.52 0.53 116.57 117.97 1ofk h LYS 87 Ca -0.02 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1ofk h LYS 87 Cb 1.27 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1ofk h LYS 87 CO 0.11 -0.42 -0.28 -1.00 -0.57 0.00 0.00 179.45 177.29 1ofk h PRO 88 N -0.65 0.00 -0.22 3.15 0.13 -1.76 -1.05 132.00 131.60 1ofk h PRO 88 Ca 0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 1ofk h PRO 88 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1ofk h PRO 88 CO -0.25 0.28 -0.27 1.25 -0.23 0.00 0.00 178.00 178.78 1ofk h LEU 89 N 0.00 0.61 -0.62 1.56 5.85 -1.64 -1.67 115.31 119.41 1ofk h LEU 89 Ca -0.00 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 1ofk h LEU 89 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1ofk h LEU 89 CO 0.04 0.99 0.06 0.00 -0.34 0.00 0.00 178.44 179.19 1ofk h ALA 90 N 0.64 0.83 -0.23 1.25 0.00 -0.65 -1.71 119.26 119.39 1ofk h ALA 90 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ofk h ALA 90 Cb 0.84 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ofk h ALA 90 CO 0.06 0.62 0.08 0.37 0.00 0.00 0.00 179.25 180.38 1ofk h GLN 91 N 0.96 0.35 -0.47 0.00 4.15 -1.09 -0.91 115.11 118.09 1ofk h GLN 91 Ca 0.18 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 1ofk h GLN 91 Cb 0.48 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1ofk h GLN 91 CO 0.02 0.42 -0.23 0.66 -1.93 0.00 0.00 178.83 177.77 1ofk h SER 92 N 0.20 1.02 1.20 -0.69 4.64 -1.25 -0.59 113.55 118.08 1ofk h SER 92 Ca 0.07 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1ofk h SER 92 Cb 0.22 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1ofk h SER 92 CO -0.00 1.20 -0.31 0.45 -0.87 0.00 0.00 176.83 177.30 1ofk h HIS 93 N 0.85 0.00 0.00 4.77 3.86 -1.27 -0.64 115.15 122.72 1ofk h HIS 93 Ca 0.11 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.17 1ofk h HIS 93 Cb 0.81 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1ofk h HIS 93 CO 0.05 0.31 -0.77 0.00 0.86 0.00 0.00 177.93 178.38 1ofk h ALA 94 N 1.69 0.16 0.15 2.45 0.00 -1.08 0.17 119.26 122.80 1ofk h ALA 94 Ca -0.00 -0.94 -0.33 0.00 0.00 0.00 0.00 54.91 53.64 1ofk h ALA 94 Cb 0.99 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ofk h ALA 94 CO 0.04 0.43 -1.70 1.15 0.00 0.00 0.00 179.25 179.17 1ofk h THR 95 N -1.00 0.89 0.00 0.00 2.02 -1.19 -3.23 112.91 110.39 1ofk h THR 95 Ca -0.21 -2.43 -0.02 0.00 0.77 0.00 0.00 66.41 64.52 1ofk h THR 95 Cb 1.19 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1ofk h THR 95 CO -0.13 0.81 -0.44 0.50 0.37 0.00 0.00 175.52 176.63 1ofk h LYS 96 N -0.05 0.00 0.00 6.66 3.64 -1.39 -3.41 116.57 122.01 1ofk h LYS 96 Ca -0.35 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1ofk h LYS 96 Cb 1.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1ofk h LYS 96 CO 0.11 0.10 -0.49 0.45 -2.27 0.00 0.00 179.45 177.35 1ofk h HIS 97 N -1.00 0.00 -5.59 1.91 3.86 -1.32 -3.49 115.15 109.52 1ofk h HIS 97 Ca -0.03 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.99 1ofk h HIS 97 Cb 0.47 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.04 1ofk h HIS 97 CO -0.13 0.27 -0.56 1.63 0.86 0.00 0.00 177.93 179.99 1ofk n LYS 98 N -3.07 -1.72 -3.56 2.45 4.01 -0.73 -4.98 118.16 110.55 1ofk n LYS 98 Ca 0.01 1.05 -0.41 0.00 -0.51 0.00 0.00 58.31 58.45 1ofk n LYS 98 Cb 0.65 -5.40 -0.11 0.00 -0.51 0.00 0.00 35.03 29.66 1ofk n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1ofk s ILE 99 N -3.23 4.89 0.61 -0.18 -1.09 0.51 -5.01 121.20 117.70 1ofk s ILE 99 Ca 0.27 -0.59 -0.17 0.00 -2.23 0.00 0.00 60.65 57.92 1ofk s ILE 99 Cb -0.05 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1ofk s ILE 99 CO 0.77 -0.15 1.15 -2.16 -1.23 0.00 0.00 174.94 173.32 1ofk s PRO 100 N 1.63 2.95 0.35 2.79 0.04 -1.26 -4.79 135.00 136.71 1ofk s PRO 100 Ca 0.04 1.59 0.11 0.00 0.04 0.00 0.00 61.00 62.79 1ofk s PRO 100 Cb -0.18 -1.95 0.91 0.00 0.04 0.00 0.00 34.50 33.31 1ofk s PRO 100 CO 0.08 -1.17 1.78 0.82 0.04 0.00 0.00 177.00 178.55 1ofk h ILE 101 N 0.56 0.63 -0.87 0.56 1.08 -1.64 -0.23 117.51 117.61 1ofk h ILE 101 Ca -0.49 -0.20 0.19 0.00 -0.39 0.00 0.00 64.86 63.97 1ofk h ILE 101 Cb 1.27 -0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 34.90 1ofk h ILE 101 CO 0.55 0.11 0.40 0.50 -0.69 0.00 0.00 178.15 179.01 1ofk h LYS 102 N 0.59 0.46 0.00 2.37 1.63 -1.91 0.32 116.57 120.03 1ofk h LYS 102 Ca 0.57 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.28 1ofk h LYS 102 Cb 1.14 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1ofk h LYS 102 CO -0.34 0.31 -0.32 1.88 -3.45 0.00 0.00 179.45 177.52 1ofk h TYR 103 N 0.48 0.00 -0.03 1.91 -1.99 -1.39 -2.15 116.97 113.80 1ofk h TYR 103 Ca 0.52 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.12 1ofk h TYR 103 Cb 0.89 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 1ofk h TYR 103 CO -0.13 0.32 -0.58 -0.07 -0.00 0.00 0.00 178.16 177.71 1ofk h LEU 104 N 0.00 0.09 -0.39 3.88 3.38 -0.97 -1.60 115.31 119.71 1ofk h LEU 104 Ca -0.00 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1ofk h LEU 104 Cb 0.72 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1ofk h LEU 104 CO 0.04 0.65 -0.30 -0.33 0.09 0.00 0.00 178.44 178.59 1ofk h GLU 105 N 0.06 0.89 -0.65 1.13 5.08 -0.85 -1.98 114.58 118.26 1ofk h GLU 105 Ca -0.00 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1ofk h GLU 105 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1ofk h GLU 105 CO 0.08 1.09 0.35 0.74 -1.00 0.00 0.00 179.01 180.27 1ofk h PHE 106 N 0.70 0.90 0.00 4.33 0.04 -1.11 -1.64 116.94 120.16 1ofk h PHE 106 Ca 0.07 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 1ofk h PHE 106 Cb 0.88 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1ofk h PHE 106 CO 0.06 0.65 -0.47 0.97 -0.60 0.00 0.00 178.31 178.92 1ofk h ILE 107 N 0.89 1.17 -0.76 -0.55 2.10 -1.24 -1.94 117.51 117.18 1ofk h ILE 107 Ca 0.23 -1.71 -0.04 0.00 1.08 0.00 0.00 64.86 64.42 1ofk h ILE 107 Cb 0.05 1.97 -0.03 0.00 -1.09 0.00 0.00 36.82 37.71 1ofk h ILE 107 CO -0.04 0.46 0.34 0.28 -1.08 0.00 0.00 178.15 178.11 1ofk h SER 108 N 0.00 1.02 -0.62 2.19 0.02 -0.74 -0.72 113.55 114.70 1ofk h SER 108 Ca -0.00 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1ofk h SER 108 Cb 0.93 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1ofk h SER 108 CO 0.06 0.89 0.16 -0.08 -1.14 0.00 0.00 176.83 176.72 1ofk h GLU 109 N 1.08 0.98 -0.54 3.45 4.81 -1.02 -1.92 114.58 121.43 1ofk h GLU 109 Ca 0.26 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1ofk h GLU 109 Cb 0.16 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1ofk h GLU 109 CO -0.03 0.89 0.02 0.00 -0.73 0.00 0.00 179.01 179.16 1ofk h ALA 110 N 1.05 1.01 -0.35 2.92 0.00 -0.88 -1.01 119.26 121.99 1ofk h ALA 110 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ofk h ALA 110 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ofk h ALA 110 CO 0.00 0.61 0.11 0.82 0.00 0.00 0.00 179.25 180.80 1ofk h ILE 111 N 0.85 1.21 -0.73 0.00 2.04 -0.80 -1.87 117.51 118.21 1ofk h ILE 111 Ca 0.16 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1ofk h ILE 111 Cb 0.48 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1ofk h ILE 111 CO 0.02 0.23 0.25 0.40 0.00 0.00 0.00 178.15 179.06 1ofk h ILE 112 N 0.42 1.26 -0.34 -0.67 2.04 -1.21 -1.63 117.51 117.39 1ofk h ILE 112 Ca 0.11 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1ofk h ILE 112 Cb 0.25 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1ofk h ILE 112 CO -0.00 0.34 0.16 -0.74 0.00 0.00 0.00 178.15 177.90 1ofk h HIS 113 N 1.07 0.49 -0.44 1.37 2.76 -1.01 -1.34 115.15 118.05 1ofk h HIS 113 Ca 0.24 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 1ofk h HIS 113 Cb 0.27 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1ofk h HIS 113 CO 0.02 0.43 -0.01 0.28 -1.30 0.00 0.00 177.93 177.35 1ofk h VAL 114 N 0.40 1.26 -0.64 5.26 2.07 -1.16 -1.72 116.25 121.71 1ofk h VAL 114 Ca 0.11 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1ofk h VAL 114 Cb 0.13 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1ofk h VAL 114 CO -0.01 0.36 0.11 -0.07 0.02 0.00 0.00 177.57 177.98 1ofk h LEU 115 N 0.62 1.00 -0.87 2.57 4.07 -1.19 -0.13 115.31 121.38 1ofk h LEU 115 Ca 0.12 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 1ofk h LEU 115 Cb 0.51 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 1ofk h LEU 115 CO 0.02 0.99 0.16 -0.74 -1.08 0.00 0.00 178.44 177.80 1ofk h HIS 116 N 0.99 1.04 -0.16 1.13 2.76 -1.15 0.41 115.15 120.17 1ofk h HIS 116 Ca 0.20 -0.11 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 1ofk h HIS 116 Cb 0.42 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1ofk h HIS 116 CO 0.03 0.85 -0.24 1.03 -1.30 0.00 0.00 177.93 178.30 1ofk h SER 117 N 0.96 0.49 0.97 3.26 0.87 -0.87 -3.29 113.55 115.93 1ofk h SER 117 Ca 0.21 -0.53 -0.14 0.00 -1.23 0.00 0.00 61.79 60.10 1ofk h SER 117 Cb 0.33 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1ofk h SER 117 CO -0.00 0.92 -1.11 0.03 -0.53 0.00 0.00 176.83 176.14 1ofk h ARG 118 N 0.07 0.00 -1.82 2.24 3.08 -0.97 -3.40 114.38 113.58 1ofk h ARG 118 Ca 0.01 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.56 1ofk h ARG 118 Cb 0.82 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.46 1ofk h ARG 118 CO 0.06 0.35 -0.95 0.72 -1.07 0.00 0.00 179.97 179.07 1ofk n HIS 119 N -2.99 2.07 -0.30 3.04 8.25 0.13 -4.94 115.22 120.47 1ofk n HIS 119 Ca -0.05 -3.57 0.09 0.00 -0.26 0.00 0.00 57.72 53.93 1ofk n HIS 119 Cb 0.79 -0.38 0.32 0.00 1.12 0.00 0.00 29.99 31.84 1ofk n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ofk h PRO 120 N 2.93 0.81 0.00 -0.41 0.13 -1.73 0.28 132.00 134.00 1ofk h PRO 120 Ca 0.10 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1ofk h PRO 120 Cb 0.86 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1ofk h PRO 120 CO 0.65 0.53 -0.42 0.78 -0.23 0.00 0.00 178.00 179.31 1ofk h GLY 121 N 0.83 0.00 -1.90 1.56 0.00 -1.92 -2.82 103.07 98.82 1ofk h GLY 121 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1ofk h GLY 121 CO -0.22 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.02 1ofk n ASN 122 N -3.73 3.63 -2.83 0.19 3.02 -0.59 -4.58 115.26 110.37 1ofk n ASN 122 Ca -0.01 -2.27 -0.14 0.00 -0.03 0.00 0.00 54.58 52.13 1ofk n ASN 122 Cb 0.50 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 1ofk n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ofk n PHE 123 N 0.62 1.13 -1.05 3.10 7.35 -0.01 -4.70 117.46 123.90 1ofk n PHE 123 Ca 0.18 -3.19 -0.11 0.00 -0.76 0.00 0.00 57.45 53.57 1ofk n PHE 123 Cb 0.63 -0.38 0.08 0.00 0.35 0.00 0.00 39.48 40.17 1ofk n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ofk n GLY 124 N 0.01 -1.87 0.17 7.13 0.00 -1.25 -4.63 105.19 104.75 1ofk n GLY 124 Ca 0.17 -1.58 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 1ofk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofk h ALA 125 N -2.08 0.39 -0.54 4.61 0.00 -1.98 -0.40 119.26 119.25 1ofk h ALA 125 Ca -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ofk h ALA 125 Cb 0.45 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ofk h ALA 125 CO 0.11 -0.36 0.28 -0.44 0.00 0.00 0.00 179.25 178.83 1ofk h ASP 126 N 0.15 0.70 -0.56 0.00 3.32 -1.99 -0.66 116.42 117.37 1ofk h ASP 126 Ca 0.19 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1ofk h ASP 126 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1ofk h ASP 126 CO -0.28 0.61 0.03 0.00 -1.72 0.00 0.00 179.24 177.88 1ofk h ALA 127 N 1.11 0.94 -0.52 3.45 0.00 -1.81 -1.61 119.26 120.83 1ofk h ALA 127 Ca 0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1ofk h ALA 127 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ofk h ALA 127 CO -0.03 0.64 -0.05 0.37 0.00 0.00 0.00 179.25 180.19 1ofk h GLN 128 N 0.93 0.95 -0.61 0.00 4.15 -0.86 -0.91 115.11 118.76 1ofk h GLN 128 Ca 0.17 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1ofk h GLN 128 Cb 0.49 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1ofk h GLN 128 CO 0.02 0.99 0.35 0.78 -1.93 0.00 0.00 178.83 179.04 1ofk h GLY 129 N 0.82 0.90 0.95 2.39 0.00 -0.88 0.11 103.07 107.35 1ofk h GLY 129 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1ofk h GLY 129 CO 0.04 0.38 0.15 0.00 0.00 0.00 0.00 176.54 177.11 1ofk h ALA 130 N 1.17 0.55 -0.71 3.60 0.00 -1.08 -1.06 119.26 121.73 1ofk h ALA 130 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ofk h ALA 130 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ofk h ALA 130 CO -0.04 0.18 0.25 1.98 0.00 0.00 0.00 179.25 181.63 1ofk h MET 131 N 0.54 1.08 -0.69 0.00 -1.53 -0.93 -1.09 114.93 112.31 1ofk h MET 131 Ca 0.14 -0.21 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1ofk h MET 131 Cb 0.23 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.08 1ofk h MET 131 CO -0.01 0.91 0.34 -0.97 0.14 0.00 0.00 176.91 177.32 1ofk h ASN 132 N 1.02 0.89 -0.78 1.39 -1.24 -0.61 -1.19 115.58 115.07 1ofk h ASN 132 Ca 0.23 -0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1ofk h ASN 132 Cb 0.25 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1ofk h ASN 132 CO -0.01 0.76 0.32 0.50 -1.29 0.00 0.00 177.43 177.71 1ofk h LYS 133 N 0.95 1.15 -0.57 6.67 3.64 -0.91 0.37 116.57 127.88 1ofk h LYS 133 Ca 0.24 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1ofk h LYS 133 Cb 0.09 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1ofk h LYS 133 CO -0.03 0.93 0.14 0.00 -2.27 0.00 0.00 179.45 178.22 1ofk h ALA 134 N 1.17 0.75 -0.12 5.00 0.00 -0.82 -0.76 119.26 124.48 1ofk h ALA 134 Ca 0.26 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1ofk h ALA 134 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ofk h ALA 134 CO -0.02 0.45 -0.59 -0.07 0.00 0.00 0.00 179.25 179.01 1ofk h LEU 135 N 0.81 0.43 -0.43 0.00 3.38 -1.00 -1.41 115.31 117.09 1ofk h LEU 135 Ca 0.18 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1ofk h LEU 135 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ofk h LEU 135 CO 0.00 0.92 0.03 -0.33 0.09 0.00 0.00 178.44 179.16 1ofk h GLU 136 N 0.29 0.74 -0.40 1.13 5.08 -0.71 -0.47 114.58 120.23 1ofk h GLU 136 Ca -0.00 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1ofk h GLU 136 Cb 1.11 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1ofk h GLU 136 CO 0.10 0.80 0.24 1.25 -1.00 0.00 0.00 179.01 180.40 1ofk h LEU 137 N 0.59 0.39 -0.28 1.33 5.85 -0.96 0.10 115.31 122.33 1ofk h LEU 137 Ca 0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1ofk h LEU 137 Cb 0.44 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1ofk h LEU 137 CO 0.02 0.28 0.02 0.15 -0.34 0.00 0.00 178.44 178.57 1ofk h PHE 138 N 0.49 0.03 -0.58 1.25 3.57 -1.04 -1.37 116.94 119.28 1ofk h PHE 138 Ca 0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1ofk h PHE 138 Cb -0.01 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1ofk h PHE 138 CO -0.07 -0.02 0.05 0.00 -2.23 0.00 0.00 178.31 176.04 1ofk h ARG 139 N 0.11 0.97 -0.43 1.11 3.08 -0.73 -0.83 114.38 117.67 1ofk h ARG 139 Ca 0.13 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1ofk h ARG 139 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ofk h ARG 139 CO -0.20 0.93 0.07 -0.22 -1.07 0.00 0.00 179.97 179.48 1ofk h LYS 140 N 0.91 0.70 -0.36 0.04 3.64 -0.74 -0.05 116.57 120.71 1ofk h LYS 140 Ca 0.17 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1ofk h LYS 140 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1ofk h LYS 140 CO 0.02 0.74 -0.33 -0.44 -2.27 0.00 0.00 179.45 177.17 1ofk h ASP 141 N 0.56 0.84 -0.56 4.20 3.32 -1.13 -2.08 116.42 121.57 1ofk h ASP 141 Ca 0.13 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 1ofk h ASP 141 Cb 0.37 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1ofk h ASP 141 CO 0.01 1.10 0.00 0.40 -1.72 0.00 0.00 179.24 179.03 1ofk h ILE 142 N 0.68 1.26 -0.89 0.35 1.08 -1.05 -2.19 117.51 116.74 1ofk h ILE 142 Ca 0.07 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 1ofk h ILE 142 Cb 0.88 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1ofk h ILE 142 CO 0.08 0.40 0.50 0.00 -0.69 0.00 0.00 178.15 178.44 1ofk h ALA 143 N 0.96 1.20 -0.56 1.87 0.00 -0.85 0.79 119.26 122.68 1ofk h ALA 143 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ofk h ALA 143 Cb 0.54 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ofk h ALA 143 CO 0.03 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.95 1ofk h ALA 144 N 1.30 0.98 -0.44 0.00 0.00 -1.21 -2.23 119.26 117.66 1ofk h ALA 144 Ca 0.32 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1ofk h ALA 144 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ofk h ALA 144 CO -0.05 0.62 -0.26 0.87 0.00 0.00 0.00 179.25 180.43 1ofk h LYS 145 N 0.88 0.96 -0.52 0.00 6.56 -0.80 -2.45 116.57 121.19 1ofk h LYS 145 Ca 0.17 -0.44 0.07 0.00 -1.06 0.00 0.00 60.65 59.39 1ofk h LYS 145 Cb 0.48 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.07 1ofk h LYS 145 CO 0.02 1.11 0.19 1.88 -2.06 0.00 0.00 179.45 180.59 1ofk h TYR 146 N 0.80 0.33 -0.28 -1.35 -1.99 -0.54 -0.28 116.97 113.65 1ofk h TYR 146 Ca 0.09 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.86 1ofk h TYR 146 Cb 0.84 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.49 1ofk h TYR 146 CO 0.06 0.10 0.15 0.87 -0.00 0.00 0.00 178.16 179.34 1ofk h LYS 147 N 0.37 0.31 -0.36 4.88 1.57 -1.22 -0.29 116.57 121.83 1ofk h LYS 147 Ca 0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1ofk h LYS 147 Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1ofk h LYS 147 CO -0.26 0.20 0.16 0.93 -0.57 0.00 0.00 179.45 179.91 1ofk h GLU 148 N 0.32 0.49 0.00 3.15 5.08 -0.93 -1.80 114.58 120.90 1ofk h GLU 148 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ofk h GLU 148 Cb 0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ofk h GLU 148 CO -0.06 0.40 0.00 1.28 -1.00 0.00 0.00 179.01 179.63 1ofk n LEU 149 N -4.41 0.00 0.00 1.33 4.77 -0.17 -4.91 117.00 113.61 1ofk n LEU 149 Ca 0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1ofk n LEU 149 Cb 0.13 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1ofk n LEU 149 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1ofk n GLY 150 N 1.35 0.77 0.65 -0.72 0.00 -0.64 -4.98 105.19 101.62 1ofk n GLY 150 Ca 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1ofk n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ofk n TYR 151 N -2.39 0.00 -1.65 1.61 9.36 -0.21 -5.00 117.16 118.87 1ofk n TYR 151 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1ofk n TYR 151 Cb 0.00 -0.32 0.01 0.00 -0.63 0.00 0.00 39.34 38.39 1ofk n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1ofk n GLN 152 N -3.67 -0.31 0.00 2.98 -0.06 -1.01 -4.87 117.38 110.43 1ofk n GLN 152 Ca -0.15 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.21 1ofk n GLN 152 Cb 0.47 -0.49 0.00 0.00 -4.06 0.00 0.00 30.24 26.16 1ofk n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27