#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 0.25 -0.64 -0.41 0.00 -1.26 -5.13 117.12 109.93 1r2a n MET 2 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1r2a n MET 2 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 33.22 32.24 1r2a n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r2a n GLY 3 N 2.43 -3.38 2.89 -5.12 0.00 -1.26 -5.06 105.19 95.69 1r2a n GLY 3 Ca -0.22 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 1r2a n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r2a s HIS 4 N 0.00 -0.72 -0.01 1.61 5.04 -1.26 -5.14 115.29 114.82 1r2a s HIS 4 Ca 0.00 -0.48 0.07 0.00 -1.54 0.00 0.00 55.06 53.11 1r2a s HIS 4 Cb 0.00 -0.20 -0.02 0.00 0.04 0.00 0.00 32.58 32.39 1r2a s HIS 4 CO 0.00 -1.03 -0.22 -1.50 -2.34 0.00 0.00 174.74 169.65 1r2a s ILE 5 N 1.60 2.41 -0.53 0.89 1.10 -1.26 -5.06 121.20 120.36 1r2a s ILE 5 Ca 0.16 -1.07 0.07 0.00 -0.51 0.00 0.00 60.65 59.31 1r2a s ILE 5 Cb -0.12 -1.91 0.30 0.00 0.15 0.00 0.00 42.46 40.88 1r2a s ILE 5 CO -0.06 0.52 0.78 1.67 -2.11 0.00 0.00 174.94 175.74 1r2a n GLN 6 N 2.19 2.20 -4.12 3.50 7.27 -1.26 -5.07 117.38 122.09 1r2a n GLN 6 Ca -0.16 -4.26 -0.15 0.00 0.07 0.00 0.00 57.00 52.50 1r2a n GLN 6 Cb 0.52 -1.98 -0.11 0.00 2.41 0.00 0.00 30.24 31.07 1r2a n GLN 6 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1r2a s ILE 7 N -2.98 0.79 -0.02 1.69 -5.25 -1.26 -5.11 121.20 109.06 1r2a s ILE 7 Ca 0.42 -1.31 -0.30 0.00 -0.99 0.00 0.00 60.65 58.48 1r2a s ILE 7 Cb 0.24 -0.95 -0.05 0.00 2.95 0.00 0.00 42.46 44.65 1r2a s ILE 7 CO -0.09 -0.40 1.32 -2.16 -1.79 0.00 0.00 174.94 171.82 1r2a s PRO 8 N -2.01 4.31 0.71 0.37 0.04 -1.26 -5.01 135.00 132.16 1r2a s PRO 8 Ca -0.03 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1r2a s PRO 8 Cb -0.08 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1r2a s PRO 8 CO 0.01 -0.51 1.07 -1.25 0.04 0.00 0.00 177.00 176.35 1r2a s PRO 9 N 2.25 2.77 0.00 0.56 0.04 -1.26 -3.67 135.00 135.69 1r2a s PRO 9 Ca 0.61 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1r2a s PRO 9 Cb -0.29 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1r2a s PRO 9 CO 0.25 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1r2a n GLY 10 N -1.60 2.84 0.33 0.56 0.00 -1.26 -4.84 105.19 101.22 1r2a n GLY 10 Ca 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.95 -0.79 0.99 6.46 -1.99 -2.65 115.31 118.28 1r2a h LEU 11 Ca 0.00 -0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.74 1r2a h LEU 11 Cb 0.00 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 39.60 1r2a h LEU 11 CO 0.00 0.84 0.40 0.74 -0.62 0.00 0.00 178.44 179.81 1r2a h THR 12 N 1.02 0.81 0.00 1.05 2.02 -1.88 0.13 112.91 116.06 1r2a h THR 12 Ca 0.24 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1r2a h THR 12 Cb 0.19 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1r2a h THR 12 CO -0.02 0.12 -0.18 -0.08 0.37 0.00 0.00 175.52 175.72 1r2a h GLU 13 N 0.64 0.00 0.13 6.66 4.57 -1.89 -2.43 114.58 122.27 1r2a h GLU 13 Ca 0.40 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.57 1r2a h GLU 13 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1r2a h GLU 13 CO -0.30 0.18 -0.06 1.25 -1.18 0.00 0.00 179.01 178.90 1r2a h LEU 14 N 0.00 -0.15 -0.55 1.64 5.85 -0.65 -2.88 115.31 118.58 1r2a h LEU 14 Ca -0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1r2a h LEU 14 Cb 0.48 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1r2a h LEU 14 CO 0.02 0.39 0.36 -0.07 -0.34 0.00 0.00 178.44 178.80 1r2a h LEU 15 N -0.76 0.64 -1.18 2.25 3.38 -1.37 -1.94 115.31 116.32 1r2a h LEU 15 Ca -0.02 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1r2a h LEU 15 Cb 0.54 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1r2a h LEU 15 CO 0.03 0.47 0.60 -0.61 0.09 0.00 0.00 178.44 179.02 1r2a h GLN 16 N 0.74 0.74 0.40 1.13 4.15 -1.50 -1.70 115.11 119.07 1r2a h GLN 16 Ca 0.20 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1r2a h GLN 16 Cb -0.07 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 1r2a h GLN 16 CO -0.04 0.49 -0.37 0.78 -1.93 0.00 0.00 178.83 177.75 1r2a h GLY 17 N 0.76 -0.89 -0.33 2.39 0.00 -1.12 -1.70 103.07 102.18 1r2a h GLY 17 Ca 0.49 0.43 0.28 0.00 0.00 0.00 0.00 47.33 48.52 1r2a h GLY 17 CO -0.25 -0.31 0.54 -1.82 0.00 0.00 0.00 176.54 174.70 1r2a h TYR 18 N -0.79 0.90 -0.57 5.60 3.20 -1.24 0.55 116.97 124.63 1r2a h TYR 18 Ca -0.03 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1r2a h TYR 18 Cb 0.70 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1r2a h TYR 18 CO -0.20 -0.07 0.24 1.15 -1.64 0.00 0.00 178.16 177.64 1r2a h THR 19 N 0.43 1.20 0.00 1.81 2.02 -1.01 0.21 112.91 117.57 1r2a h THR 19 Ca 0.67 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1r2a h THR 19 Cb 1.39 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1r2a h THR 19 CO -0.55 0.25 -0.33 0.58 0.37 0.00 0.00 175.52 175.83 1r2a h VAL 20 N 0.81 0.58 0.00 3.16 2.07 0.57 -2.99 116.25 120.44 1r2a h VAL 20 Ca 0.20 -1.80 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 1r2a h VAL 20 Cb 0.14 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1r2a h VAL 20 CO -0.02 0.33 -0.70 -0.33 0.02 0.00 0.00 177.57 176.87 1r2a h GLU 21 N 0.00 0.00 -0.75 1.57 5.08 -0.54 -2.97 114.58 116.98 1r2a h GLU 21 Ca -0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1r2a h GLU 21 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1r2a h GLU 21 CO 0.04 0.56 0.50 0.28 -1.00 0.00 0.00 179.01 179.40 1r2a h VAL 22 N -1.00 0.78 0.10 3.13 2.07 -0.75 0.93 116.25 121.50 1r2a h VAL 22 Ca -0.15 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 66.98 1r2a h VAL 22 Cb 0.86 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1r2a h VAL 22 CO -0.09 0.07 -1.17 -0.07 0.02 0.00 0.00 177.57 176.33 1r2a h LEU 23 N 0.37 0.56 0.00 2.57 3.38 -1.67 -2.03 115.31 118.49 1r2a h LEU 23 Ca 0.37 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1r2a h LEU 23 Cb 0.90 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1r2a h LEU 23 CO -0.11 1.38 -0.18 0.03 0.09 0.00 0.00 178.44 179.66 1r2a h ARG 24 N 0.16 0.00 -0.55 1.13 2.47 -0.96 -3.36 114.38 113.27 1r2a h ARG 24 Ca -0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1r2a h ARG 24 Cb 1.86 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.15 1r2a h ARG 24 CO 0.20 0.41 0.32 1.96 0.56 0.00 0.00 179.97 183.43 1r2a h GLN 25 N -1.00 0.75 -6.04 0.04 1.08 0.65 -3.47 115.11 107.12 1r2a h GLN 25 Ca -0.03 -0.08 -0.39 0.00 -1.45 0.00 0.00 58.65 56.70 1r2a h GLN 25 Cb 0.51 -0.15 0.10 0.00 -0.05 0.00 0.00 27.48 27.88 1r2a h GLN 25 CO -0.02 0.56 -0.90 0.94 -0.95 0.00 0.00 178.83 178.46 1r2a n GLN 26 N -4.64 -2.06 -1.74 1.46 7.27 -0.76 -4.93 117.38 111.98 1r2a n GLN 26 Ca 0.03 0.57 -0.32 0.00 0.07 0.00 0.00 57.00 57.35 1r2a n GLN 26 Cb 0.07 -4.67 0.04 0.00 2.41 0.00 0.00 30.24 28.09 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 2.92 0.50 3.69 0.04 -1.26 -4.93 135.00 130.30 1r2a s PRO 27 Ca 0.39 1.20 0.32 0.00 0.04 0.00 0.00 61.00 62.95 1r2a s PRO 27 Cb -0.11 -1.98 1.28 0.00 0.04 0.00 0.00 34.50 33.73 1r2a s PRO 27 CO 0.83 -1.13 1.93 -1.00 0.04 0.00 0.00 177.00 177.67 1r2a h PRO 28 N -0.16 0.00 -3.55 0.56 0.13 -2.01 -3.41 132.00 123.57 1r2a h PRO 28 Ca -0.46 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.26 1r2a h PRO 28 Cb 1.23 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 1r2a h PRO 28 CO 0.55 0.00 -0.76 -0.51 -0.23 0.00 0.00 178.00 177.06 1r2a s ASP 29 N -5.45 1.50 0.05 1.44 1.01 -1.26 -5.02 116.67 108.95 1r2a s ASP 29 Ca 0.02 -0.07 -0.06 0.00 0.71 0.00 0.00 52.55 53.14 1r2a s ASP 29 Cb 0.09 -0.34 -0.30 0.00 1.01 0.00 0.00 42.92 43.38 1r2a s ASP 29 CO 0.52 -0.22 1.03 0.25 0.21 0.00 0.00 175.17 176.96 1r2a h LEU 30 N 8.37 0.51 0.17 1.23 5.85 -1.98 -2.87 115.31 126.57 1r2a h LEU 30 Ca -0.17 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 1r2a h LEU 30 Cb 1.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1r2a h LEU 30 CO 0.23 1.46 -0.23 0.58 -0.34 0.00 0.00 178.44 180.13 1r2a h VAL 31 N 0.09 0.00 -0.87 1.05 2.07 -1.99 0.64 116.25 117.25 1r2a h VAL 31 Ca -0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1r2a h VAL 31 Cb 2.03 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1r2a h VAL 31 CO 0.21 0.00 0.53 -0.78 0.02 0.00 0.00 177.57 177.54 1r2a h ASP 32 N -0.42 0.80 -0.19 0.57 1.82 -2.01 -1.85 116.42 115.14 1r2a h ASP 32 Ca -0.02 0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1r2a h ASP 32 Cb 0.38 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 1r2a h ASP 32 CO -0.06 0.49 0.02 0.15 -1.61 0.00 0.00 179.24 178.23 1r2a h PHE 33 N 0.92 0.04 -0.91 0.28 3.57 -1.20 -1.05 116.94 118.59 1r2a h PHE 33 Ca 0.40 0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.11 1r2a h PHE 33 Cb 0.27 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1r2a h PHE 33 CO -0.04 0.00 0.60 0.00 -2.23 0.00 0.00 178.31 176.65 1r2a h ALA 34 N 1.14 2.21 0.10 2.41 0.00 0.11 -0.55 119.26 124.69 1r2a h ALA 34 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r2a h ALA 34 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r2a h ALA 34 CO -0.12 -0.50 -0.05 0.28 0.00 0.00 0.00 179.25 178.86 1r2a h VAL 35 N 0.41 1.03 -0.09 0.00 2.07 -0.94 -2.74 116.25 115.99 1r2a h VAL 35 Ca 0.47 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1r2a h VAL 35 Cb 1.18 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1r2a h VAL 35 CO -0.18 0.29 0.16 -0.33 0.02 0.00 0.00 177.57 177.52 1r2a h GLU 36 N -0.85 0.00 0.01 1.57 5.08 -0.60 0.52 114.58 120.31 1r2a h GLU 36 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r2a h GLU 36 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1r2a h GLU 36 CO 0.02 0.00 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.11 1r2a h TYR 37 N 0.00 -0.01 -0.52 4.33 3.20 -1.10 -3.02 116.97 119.86 1r2a h TYR 37 Ca 0.04 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1r2a h TYR 37 Cb 0.36 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1r2a h TYR 37 CO 0.00 -0.01 0.26 0.74 -1.64 0.00 0.00 178.16 177.51 1r2a h PHE 38 N -0.17 0.47 -0.40 -3.82 0.04 -1.41 -1.75 116.94 109.89 1r2a h PHE 38 Ca -0.00 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1r2a h PHE 38 Cb 0.01 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 37.96 1r2a h PHE 38 CO 0.01 0.23 -0.00 1.15 -0.60 0.00 0.00 178.31 179.09 1r2a h THR 39 N 0.50 0.70 -0.44 -1.55 2.02 -1.07 -1.00 112.91 112.07 1r2a h THR 39 Ca 0.23 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1r2a h THR 39 Cb 0.14 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1r2a h THR 39 CO -0.16 0.02 0.09 0.03 0.37 0.00 0.00 175.52 175.87 1r2a h ARG 40 N 0.10 0.67 -0.78 6.66 3.08 -1.31 -2.69 114.38 120.11 1r2a h ARG 40 Ca 0.20 -0.13 0.12 0.00 0.07 0.00 0.00 59.98 60.24 1r2a h ARG 40 Cb 0.28 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 1r2a h ARG 40 CO -0.33 0.62 0.39 -0.07 -1.07 0.00 0.00 179.97 179.51 1r2a h LEU 41 N 0.65 0.48 -0.75 3.04 4.07 -0.31 -1.08 115.31 121.41 1r2a h LEU 41 Ca 0.15 0.08 0.14 0.00 0.08 0.00 0.00 57.88 58.32 1r2a h LEU 41 Cb 0.26 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.91 1r2a h LEU 41 CO -0.00 0.23 0.29 -0.09 -1.08 0.00 0.00 178.44 177.80 1r2a h ARG 42 N 0.60 0.43 -0.34 1.13 2.43 -1.26 0.48 114.38 117.85 1r2a h ARG 42 Ca 0.41 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.62 1r2a h ARG 42 Cb 0.51 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1r2a h ARG 42 CO -0.32 0.28 0.23 0.93 -1.51 0.00 0.00 179.97 179.58 1r2a h GLU 43 N 0.44 0.14 0.00 0.20 5.08 -1.29 -3.29 114.58 115.85 1r2a h GLU 43 Ca 0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1r2a h GLU 43 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1r2a h GLU 43 CO -0.40 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 177.70 1r2a n ALA 44 N -2.56 0.00 -1.63 3.43 0.00 0.92 -4.91 120.51 115.75 1r2a n ALA 44 Ca 0.04 -0.15 -0.46 0.00 0.00 0.00 0.00 53.44 52.88 1r2a n ALA 44 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1r2a n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r2a n ARG 45 N -2.30 1.67 0.00 0.00 5.12 0.13 -5.12 116.66 116.17 1r2a n ARG 45 Ca 0.00 0.59 0.01 0.00 -1.93 0.00 0.00 57.85 56.52 1r2a n ARG 45 Cb 0.00 -2.16 0.07 0.00 -1.16 0.00 0.00 32.46 29.21 1r2a n ARG 45 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59