#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2a n MET 2 N 0.00 1.17 0.00 1.57 2.81 -1.26 -4.92 117.12 116.49 1r2a n MET 2 Ca 0.00 -3.54 0.00 0.00 -1.81 0.00 0.00 57.70 52.35 1r2a n MET 2 Cb 0.00 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1r2a n MET 2 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r2a n GLY 3 N 0.69 -1.66 2.01 3.03 0.00 -1.26 -5.10 105.19 102.90 1r2a n GLY 3 Ca 0.24 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1r2a n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r2a n HIS 4 N 0.00 -0.93 -4.27 1.61 -0.00 -1.26 -5.13 115.22 105.25 1r2a n HIS 4 Ca 0.00 0.12 -0.27 0.00 -0.00 0.00 0.00 57.72 57.58 1r2a n HIS 4 Cb 0.00 0.64 -0.09 0.00 -0.00 0.00 0.00 29.99 30.54 1r2a n HIS 4 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1r2a s ILE 5 N -1.18 3.34 -0.10 1.59 1.10 -1.26 -5.12 121.20 119.57 1r2a s ILE 5 Ca 0.00 -1.60 0.01 0.00 -0.51 0.00 0.00 60.65 58.55 1r2a s ILE 5 Cb 0.00 -2.66 -0.02 0.00 0.15 0.00 0.00 42.46 39.92 1r2a s ILE 5 CO 0.00 -0.11 -0.10 -1.10 -2.11 0.00 0.00 174.94 171.51 1r2a s GLN 6 N -2.87 3.04 -0.45 3.50 -1.52 -1.26 -5.03 119.66 115.06 1r2a s GLN 6 Ca 0.26 -0.63 0.09 0.00 -1.95 0.00 0.00 55.36 53.13 1r2a s GLN 6 Cb -0.09 -2.60 0.37 0.00 -0.22 0.00 0.00 33.01 30.47 1r2a s GLN 6 CO 0.16 0.44 0.90 -0.89 -0.25 0.00 0.00 175.29 175.65 1r2a n ILE 7 N 2.87 1.59 -2.27 1.08 -0.00 -1.26 -5.09 119.36 116.29 1r2a n ILE 7 Ca -0.18 -4.83 -0.34 0.00 -0.00 0.00 0.00 62.75 57.40 1r2a n ILE 7 Cb 0.53 -0.73 -0.00 0.00 -0.00 0.00 0.00 39.64 39.44 1r2a n ILE 7 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1r2a s PRO 8 N -3.08 3.42 1.14 0.38 0.04 -1.26 -5.04 135.00 130.60 1r2a s PRO 8 Ca 0.43 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 1r2a s PRO 8 Cb 0.34 -2.03 0.26 0.00 0.04 0.00 0.00 34.50 33.12 1r2a s PRO 8 CO -0.10 -0.76 1.18 -1.25 0.04 0.00 0.00 177.00 176.10 1r2a s PRO 9 N -3.44 -0.72 0.00 0.56 0.04 -1.26 -4.47 135.00 125.71 1r2a s PRO 9 Ca 0.70 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1r2a s PRO 9 Cb -0.20 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1r2a s PRO 9 CO 0.27 -3.35 0.00 0.41 0.04 0.00 0.00 177.00 174.37 1r2a n GLY 10 N -1.84 2.03 0.10 0.56 0.00 -1.26 -4.91 105.19 99.87 1r2a n GLY 10 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1r2a n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r2a h LEU 11 N 0.00 0.00 -1.96 0.99 5.85 -2.01 -3.33 115.31 114.85 1r2a h LEU 11 Ca 0.00 -0.51 0.12 0.00 0.84 0.00 0.00 57.88 58.33 1r2a h LEU 11 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1r2a h LEU 11 CO 0.00 1.34 0.45 0.74 -0.34 0.00 0.00 178.44 180.63 1r2a h THR 12 N -1.00 0.36 0.48 1.05 2.02 -1.91 -1.91 112.91 112.00 1r2a h THR 12 Ca -0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1r2a h THR 12 Cb 1.17 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1r2a h THR 12 CO -0.16 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.17 1r2a h GLU 13 N 0.00 -0.62 -0.89 6.66 5.08 -1.98 -1.95 114.58 120.88 1r2a h GLU 13 Ca 0.19 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 1r2a h GLU 13 Cb 1.09 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 1r2a h GLU 13 CO -0.00 -0.37 0.54 -0.07 -1.00 0.00 0.00 179.01 178.11 1r2a h LEU 14 N -1.12 0.81 -0.52 1.33 3.38 -1.50 -1.70 115.31 115.99 1r2a h LEU 14 Ca -0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1r2a h LEU 14 Cb 0.55 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1r2a h LEU 14 CO 0.11 0.47 0.33 -0.07 0.09 0.00 0.00 178.44 179.37 1r2a h LEU 15 N 0.92 0.60 -1.15 1.67 4.07 -1.40 -1.94 115.31 118.08 1r2a h LEU 15 Ca 0.42 -0.03 0.14 0.00 0.08 0.00 0.00 57.88 58.49 1r2a h LEU 15 Cb 0.33 -0.15 -0.08 0.00 1.08 0.00 0.00 40.66 41.84 1r2a h LEU 15 CO -0.23 0.45 0.60 -0.61 -1.08 0.00 0.00 178.44 177.57 1r2a h GLN 16 N 0.70 0.80 0.63 1.13 4.15 -0.49 -1.91 115.11 120.11 1r2a h GLN 16 Ca 0.19 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1r2a h GLN 16 Cb -0.06 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1r2a h GLN 16 CO -0.04 0.53 -0.43 0.78 -1.93 0.00 0.00 178.83 177.74 1r2a h GLY 17 N 0.82 -1.12 -0.40 2.39 0.00 -1.08 -2.03 103.07 101.65 1r2a h GLY 17 Ca 0.48 0.48 0.29 0.00 0.00 0.00 0.00 47.33 48.58 1r2a h GLY 17 CO -0.24 -0.38 0.56 -1.82 0.00 0.00 0.00 176.54 174.65 1r2a h TYR 18 N -1.01 0.93 -0.50 5.60 3.20 -1.19 0.70 116.97 124.70 1r2a h TYR 18 Ca -0.08 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1r2a h TYR 18 Cb 0.83 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1r2a h TYR 18 CO -0.13 -0.10 0.17 1.15 -1.64 0.00 0.00 178.16 177.61 1r2a h THR 19 N 0.40 1.20 0.00 1.81 2.02 -0.94 0.25 112.91 117.65 1r2a h THR 19 Ca 0.70 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 1r2a h THR 19 Cb 1.50 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1r2a h THR 19 CO -0.57 0.25 -0.39 0.58 0.37 0.00 0.00 175.52 175.76 1r2a h VAL 20 N 0.72 0.28 0.04 3.16 2.07 0.85 -3.05 116.25 120.33 1r2a h VAL 20 Ca 0.17 -1.42 -0.23 0.00 0.82 0.00 0.00 66.70 66.04 1r2a h VAL 20 Cb 0.19 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1r2a h VAL 20 CO -0.01 0.16 -1.24 -0.33 0.02 0.00 0.00 177.57 176.17 1r2a h GLU 21 N 0.00 0.09 -0.43 1.57 5.08 -0.42 -2.76 114.58 117.71 1r2a h GLU 21 Ca -0.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1r2a h GLU 21 Cb 1.15 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1r2a h GLU 21 CO 0.02 1.08 0.25 0.28 -1.00 0.00 0.00 179.01 179.64 1r2a h VAL 22 N -0.70 1.13 0.21 3.13 2.07 -0.66 0.12 116.25 121.55 1r2a h VAL 22 Ca -0.31 -0.31 -0.30 0.00 0.82 0.00 0.00 66.70 66.60 1r2a h VAL 22 Cb 1.47 0.54 0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1r2a h VAL 22 CO -0.08 0.14 -1.37 -0.07 0.02 0.00 0.00 177.57 176.20 1r2a h LEU 23 N 0.60 0.70 0.01 2.57 4.07 -1.68 -2.62 115.31 118.96 1r2a h LEU 23 Ca 0.16 -0.93 -0.00 0.00 0.08 0.00 0.00 57.88 57.19 1r2a h LEU 23 Cb 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.51 1r2a h LEU 23 CO -0.03 1.65 -0.01 0.03 -1.08 0.00 0.00 178.44 179.01 1r2a h ARG 24 N -0.01 -0.02 -0.87 1.13 2.47 -1.23 -3.32 114.38 112.54 1r2a h ARG 24 Ca -0.25 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.61 1r2a h ARG 24 Cb 2.01 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 30.27 1r2a h ARG 24 CO 0.22 -0.01 0.56 1.96 0.56 0.00 0.00 179.97 183.26 1r2a h GLN 25 N -0.05 0.66 -6.06 0.04 1.08 -0.98 -3.46 115.11 106.34 1r2a h GLN 25 Ca -0.00 -0.04 -0.39 0.00 -1.45 0.00 0.00 58.65 56.76 1r2a h GLN 25 Cb 0.01 -0.15 0.11 0.00 -0.05 0.00 0.00 27.48 27.40 1r2a h GLN 25 CO 0.00 0.43 -0.92 0.94 -0.95 0.00 0.00 178.83 178.34 1r2a n GLN 26 N -4.55 -1.55 -2.33 1.46 7.27 -0.99 -4.91 117.38 111.79 1r2a n GLN 26 Ca 0.17 0.55 -0.35 0.00 0.07 0.00 0.00 57.00 57.43 1r2a n GLN 26 Cb 0.45 -4.51 -0.01 0.00 2.41 0.00 0.00 30.24 28.58 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1r2a s PRO 27 N -5.65 3.48 0.30 3.69 0.04 -1.26 -4.94 135.00 130.66 1r2a s PRO 27 Ca 0.46 1.56 0.11 0.00 0.04 0.00 0.00 61.00 63.17 1r2a s PRO 27 Cb -0.14 -2.05 0.46 0.00 0.04 0.00 0.00 34.50 32.81 1r2a s PRO 27 CO 0.83 -0.73 1.67 -1.00 0.04 0.00 0.00 177.00 177.82 1r2a h PRO 28 N 1.33 0.00 -4.61 0.56 0.13 -1.99 -3.41 132.00 124.01 1r2a h PRO 28 Ca -0.50 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.04 1r2a h PRO 28 Cb 1.25 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 1r2a h PRO 28 CO 0.58 0.55 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.56 1r2a s ASP 29 N -6.87 2.67 0.09 1.44 1.01 -1.26 -5.00 116.67 108.75 1r2a s ASP 29 Ca -0.02 -0.49 -0.05 0.00 0.71 0.00 0.00 52.55 52.70 1r2a s ASP 29 Cb 0.13 -1.14 -0.23 0.00 1.01 0.00 0.00 42.92 42.69 1r2a s ASP 29 CO 0.75 -0.07 1.18 0.25 0.21 0.00 0.00 175.17 177.50 1r2a h LEU 30 N 8.06 0.50 0.02 1.23 5.85 -1.98 -2.97 115.31 126.02 1r2a h LEU 30 Ca -0.37 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1r2a h LEU 30 Cb 1.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1r2a h LEU 30 CO 0.51 1.34 -0.08 0.58 -0.34 0.00 0.00 178.44 180.46 1r2a h VAL 31 N 0.13 0.00 -0.89 1.05 2.07 -1.99 1.11 116.25 117.74 1r2a h VAL 31 Ca -0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1r2a h VAL 31 Cb 1.86 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1r2a h VAL 31 CO 0.20 0.00 0.53 -0.78 0.02 0.00 0.00 177.57 177.54 1r2a h ASP 32 N -0.11 0.77 0.10 0.57 3.58 -2.00 -1.41 116.42 117.91 1r2a h ASP 32 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1r2a h ASP 32 Cb 0.11 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1r2a h ASP 32 CO -0.04 0.43 -0.10 0.15 -2.88 0.00 0.00 179.24 176.79 1r2a h PHE 33 N 0.87 -0.27 -0.69 0.28 3.57 -1.23 0.44 116.94 119.92 1r2a h PHE 33 Ca 0.43 0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.04 1r2a h PHE 33 Cb 0.40 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 1r2a h PHE 33 CO -0.04 -0.16 0.30 0.00 -2.23 0.00 0.00 178.31 176.18 1r2a h ALA 34 N 0.65 0.94 0.00 2.41 0.00 0.21 0.69 119.26 124.16 1r2a h ALA 34 Ca 0.01 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1r2a h ALA 34 Cb 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1r2a h ALA 34 CO -0.03 -0.13 -0.54 0.28 0.00 0.00 0.00 179.25 178.83 1r2a h VAL 35 N 0.50 1.36 0.00 0.00 2.07 -0.76 -2.60 116.25 116.82 1r2a h VAL 35 Ca 0.35 -1.86 -0.14 0.00 0.82 0.00 0.00 66.70 65.87 1r2a h VAL 35 Cb 0.43 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1r2a h VAL 35 CO -0.31 0.53 -0.68 -0.08 0.02 0.00 0.00 177.57 177.05 1r2a h GLU 36 N 0.00 0.00 0.03 1.57 4.81 0.19 -2.92 114.58 118.26 1r2a h GLU 36 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1r2a h GLU 36 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1r2a h GLU 36 CO 0.07 0.65 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.07 1r2a h TYR 37 N 0.00 -0.04 -0.63 0.92 3.20 0.49 -2.96 116.97 117.96 1r2a h TYR 37 Ca -0.01 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1r2a h TYR 37 Cb 1.51 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.72 1r2a h TYR 37 CO 0.00 -0.03 0.21 0.74 -1.64 0.00 0.00 178.16 177.44 1r2a h PHE 38 N -0.20 0.36 -0.94 -3.82 0.04 -1.65 -0.46 116.94 110.27 1r2a h PHE 38 Ca -0.00 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.91 1r2a h PHE 38 Cb 0.03 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.04 1r2a h PHE 38 CO 0.03 0.06 0.57 1.15 -0.60 0.00 0.00 178.31 179.52 1r2a h THR 39 N 0.37 0.90 0.00 -1.55 2.02 -1.67 0.21 112.91 113.19 1r2a h THR 39 Ca 0.32 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1r2a h THR 39 Cb 0.44 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1r2a h THR 39 CO -0.35 0.17 -0.03 0.03 0.37 0.00 0.00 175.52 175.71 1r2a h ARG 40 N 0.91 0.00 0.00 6.66 2.47 -0.90 -0.82 114.38 122.69 1r2a h ARG 40 Ca 0.47 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 59.11 1r2a h ARG 40 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1r2a h ARG 40 CO -0.27 0.03 -0.36 -0.07 0.56 0.00 0.00 179.97 179.86 1r2a h LEU 41 N 0.00 0.00 -0.05 3.04 3.38 -0.36 -3.07 115.31 118.25 1r2a h LEU 41 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1r2a h LEU 41 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1r2a h LEU 41 CO 0.00 0.36 -0.13 -0.09 0.09 0.00 0.00 178.44 178.68 1r2a h ARG 42 N 0.00 0.18 0.00 1.13 2.43 -0.80 -2.95 114.38 114.37 1r2a h ARG 42 Ca -0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1r2a h ARG 42 Cb 1.06 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1r2a h ARG 42 CO 0.05 0.72 -0.08 0.93 -1.51 0.00 0.00 179.97 180.07 1r2a h GLU 43 N -0.33 0.00 0.46 0.20 4.39 -1.56 -2.92 114.58 114.82 1r2a h GLU 43 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1r2a h GLU 43 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1r2a h GLU 43 CO 0.03 0.08 -0.22 0.00 -1.16 0.00 0.00 179.01 177.74 1r2a h ALA 44 N 1.92 -0.82 -0.11 3.43 0.00 -1.43 -3.33 119.26 118.92 1r2a h ALA 44 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1r2a h ALA 44 Cb 0.18 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1r2a h ALA 44 CO 0.01 -0.77 -0.33 -0.09 0.00 0.00 0.00 179.25 178.07 1r2a h ARG 45 N -0.86 -0.31 0.00 0.00 9.65 -1.44 -3.52 114.38 117.89 1r2a h ARG 45 Ca -0.06 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1r2a h ARG 45 Cb 0.48 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1r2a h ARG 45 CO 0.10 -0.21 0.00 -2.13 2.80 0.00 0.00 179.97 180.53