#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 -1.96 0.00 -0.41 0.00 -1.26 -5.01 117.12 108.48 1r2a n MET 2 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 57.70 59.37 1r2a n MET 2 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 33.22 28.76 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 -0.74 -0.63 1.36 -5.12 0.00 -1.26 -5.10 105.19 93.71 1r2a n GLY 3 Ca -0.01 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 -4.64 1.61 8.25 -1.26 -5.09 115.22 114.09 1r2a n HIS 4 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1r2a n HIS 4 Cb 0.00 0.20 -0.12 0.00 1.12 0.00 0.00 29.99 31.19 1r2a n HIS 4 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1r2a s ILE 5 N -0.97 3.36 -0.40 1.59 1.10 -1.26 -5.03 121.20 119.58 1r2a s ILE 5 Ca 0.00 -0.78 0.05 0.00 -0.51 0.00 0.00 60.65 59.41 1r2a s ILE 5 Cb 0.00 -2.40 0.32 0.00 0.15 0.00 0.00 42.46 40.53 1r2a s ILE 5 CO 0.00 0.47 1.23 0.00 -2.11 0.00 0.00 174.94 174.53 1r2a n GLN 6 N 1.87 0.63 -4.32 3.50 10.64 -1.26 -5.15 117.38 123.28 1r2a n GLN 6 Ca -0.16 -1.39 -0.19 0.00 -1.83 0.00 0.00 57.00 53.43 1r2a n GLN 6 Cb 0.52 -0.67 -0.10 0.00 -0.86 0.00 0.00 30.24 29.13 1r2a n GLN 6 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1r2a s ILE 7 N 0.19 1.66 -0.23 -0.39 -5.25 -1.26 -5.09 121.20 110.83 1r2a s ILE 7 Ca 0.22 -2.06 -0.29 0.00 -0.99 0.00 0.00 60.65 57.53 1r2a s ILE 7 Cb 0.29 -1.90 -0.02 0.00 2.95 0.00 0.00 42.46 43.78 1r2a s ILE 7 CO -0.12 -0.51 1.46 -2.16 -1.79 0.00 0.00 174.94 171.82 1r2a s PRO 8 N -3.29 3.92 0.54 0.37 0.04 -1.26 -5.00 135.00 130.33 1r2a s PRO 8 Ca 0.18 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 1r2a s PRO 8 Cb -0.02 -3.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 1r2a s PRO 8 CO 0.06 -1.12 1.07 -1.25 0.04 0.00 0.00 177.00 175.79 1r2a s PRO 9 N 4.30 3.50 0.00 0.56 0.04 -1.26 -4.08 135.00 138.05 1r2a s PRO 9 Ca 0.64 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1r2a s PRO 9 Cb -0.22 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1r2a s PRO 9 CO 0.25 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1r2a n GLY 10 N -0.36 1.06 0.15 0.56 0.00 -1.26 -4.91 105.19 100.43 1r2a n GLY 10 Ca 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1r2a n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r2a h LEU 11 N 0.00 0.00 0.61 0.99 4.07 -2.01 -3.26 115.31 115.71 1r2a h LEU 11 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1r2a h LEU 11 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1r2a h LEU 11 CO 0.00 0.52 -0.42 0.74 -1.08 0.00 0.00 178.44 178.19 1r2a h THR 12 N 0.00 0.00 -0.56 0.22 2.02 -1.91 -0.13 112.91 112.55 1r2a h THR 12 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1r2a h THR 12 Cb 1.12 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1r2a h THR 12 CO 0.07 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.63 1r2a h GLU 13 N -0.98 0.11 0.42 6.66 3.07 -1.99 0.54 114.58 122.41 1r2a h GLU 13 Ca -0.08 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1r2a h GLU 13 Cb 0.80 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1r2a h GLU 13 CO 0.05 0.08 -0.42 -0.07 -1.40 0.00 0.00 179.01 177.25 1r2a h LEU 14 N 0.12 -1.13 -1.11 1.33 4.07 -1.54 -1.78 115.31 115.27 1r2a h LEU 14 Ca 0.29 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 1r2a h LEU 14 Cb 0.45 0.38 -0.04 0.00 1.08 0.00 0.00 40.66 42.53 1r2a h LEU 14 CO -0.47 -0.57 0.50 -0.07 -1.08 0.00 0.00 178.44 176.75 1r2a h LEU 15 N -0.85 0.98 -0.80 1.67 3.38 -0.42 -2.22 115.31 117.05 1r2a h LEU 15 Ca -0.04 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 57.99 1r2a h LEU 15 Cb 0.75 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1r2a h LEU 15 CO -0.06 0.75 0.43 -0.61 0.09 0.00 0.00 178.44 179.04 1r2a h GLN 16 N 1.14 0.67 0.35 1.13 4.15 0.56 -1.79 115.11 121.31 1r2a h GLN 16 Ca 0.30 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 1r2a h GLN 16 Cb -0.06 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1r2a h GLN 16 CO -0.06 0.44 -0.33 0.78 -1.93 0.00 0.00 178.83 177.73 1r2a h GLY 17 N 0.69 -0.78 -0.29 2.39 0.00 -0.70 -1.47 103.07 102.91 1r2a h GLY 17 Ca 0.41 0.38 0.19 0.00 0.00 0.00 0.00 47.33 48.31 1r2a h GLY 17 CO -0.29 -0.29 0.15 -1.82 0.00 0.00 0.00 176.54 174.29 1r2a h TYR 18 N -0.70 0.21 -0.27 5.60 3.20 -1.29 0.71 116.97 124.43 1r2a h TYR 18 Ca -0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1r2a h TYR 18 Cb 0.63 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1r2a h TYR 18 CO -0.19 -0.17 0.11 1.15 -1.64 0.00 0.00 178.16 177.42 1r2a h THR 19 N 0.20 1.11 0.00 1.81 2.02 -0.69 0.35 112.91 117.70 1r2a h THR 19 Ca 0.46 -0.32 -0.16 0.00 0.77 0.00 0.00 66.41 67.16 1r2a h THR 19 Cb 0.85 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1r2a h THR 19 CO -0.61 0.12 -0.91 0.58 0.37 0.00 0.00 175.52 175.08 1r2a h VAL 20 N 0.37 1.04 0.00 3.16 2.07 0.12 -2.87 116.25 120.15 1r2a h VAL 20 Ca 0.10 -2.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1r2a h VAL 20 Cb 0.07 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1r2a h VAL 20 CO -0.01 0.59 -0.01 -0.33 0.02 0.00 0.00 177.57 177.83 1r2a h GLU 21 N 0.00 0.00 -0.65 1.57 5.08 0.21 -2.18 114.58 118.61 1r2a h GLU 21 Ca -0.06 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1r2a h GLU 21 Cb 1.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 1r2a h GLU 21 CO 0.08 0.08 0.45 0.28 -1.00 0.00 0.00 179.01 178.90 1r2a h VAL 22 N -1.00 0.80 0.00 3.13 2.07 -1.12 0.29 116.25 120.42 1r2a h VAL 22 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1r2a h VAL 22 Cb 0.08 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1r2a h VAL 22 CO -0.00 0.05 -0.13 0.25 0.02 0.00 0.00 177.57 177.77 1r2a h LEU 23 N 0.30 0.00 0.01 2.57 5.85 -1.60 0.24 115.31 122.68 1r2a h LEU 23 Ca 0.31 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 1r2a h LEU 23 Cb 0.82 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1r2a h LEU 23 CO -0.08 0.00 -0.72 0.03 -0.34 0.00 0.00 178.44 177.33 1r2a h ARG 24 N 0.00 0.02 0.00 1.25 2.47 0.17 -3.40 114.38 114.90 1r2a h ARG 24 Ca 0.00 -0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.55 1r2a h ARG 24 Cb 0.99 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.30 1r2a h ARG 24 CO 0.00 1.02 -2.14 0.00 0.56 0.00 0.00 179.97 179.41 1r2a n GLN 25 N -4.47 0.67 -3.42 0.04 10.64 -0.16 -5.03 117.38 115.65 1r2a n GLN 25 Ca -0.22 -0.13 -0.14 0.00 -1.83 0.00 0.00 57.00 54.68 1r2a n GLN 25 Cb 0.61 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 1r2a n GLN 25 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1r2a n GLN 26 N -2.44 -1.51 -1.93 2.61 6.02 0.86 -4.91 117.38 116.08 1r2a n GLN 26 Ca -0.14 1.18 -0.33 0.00 -0.01 0.00 0.00 57.00 57.69 1r2a n GLN 26 Cb 0.78 -3.91 0.03 0.00 1.02 0.00 0.00 30.24 28.16 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1r2a s PRO 27 N -3.87 3.05 0.10 -1.09 0.04 -1.26 -4.97 135.00 127.01 1r2a s PRO 27 Ca 0.03 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1r2a s PRO 27 Cb -0.01 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1r2a s PRO 27 CO 0.83 -1.04 1.42 -1.00 0.04 0.00 0.00 177.00 177.24 1r2a h PRO 28 N 0.35 0.74 -4.82 0.56 0.13 -2.00 -3.41 132.00 123.55 1r2a h PRO 28 Ca -0.47 -0.40 -0.68 0.00 -0.87 0.00 0.00 66.00 63.58 1r2a h PRO 28 Cb 1.24 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 1r2a h PRO 28 CO 0.56 1.02 -0.65 0.16 -0.23 0.00 0.00 178.00 178.86 1r2a s ASP 29 N -6.61 4.93 0.01 1.44 -4.77 -1.26 -4.96 116.67 105.45 1r2a s ASP 29 Ca -0.12 -0.77 0.02 0.00 -3.30 0.00 0.00 52.55 48.37 1r2a s ASP 29 Cb 0.09 -1.82 -0.25 0.00 -1.09 0.00 0.00 42.92 39.84 1r2a s ASP 29 CO 0.84 -0.18 0.86 0.25 0.70 0.00 0.00 175.17 177.64 1r2a h LEU 30 N 8.17 0.24 0.16 2.11 5.85 -1.99 -3.12 115.31 126.74 1r2a h LEU 30 Ca -0.31 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 1r2a h LEU 30 Cb 1.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1r2a h LEU 30 CO 0.59 1.30 -0.27 0.58 -0.34 0.00 0.00 178.44 180.30 1r2a h VAL 31 N 0.04 0.00 -0.50 1.05 2.07 -1.99 0.53 116.25 117.45 1r2a h VAL 31 Ca -0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1r2a h VAL 31 Cb 1.97 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1r2a h VAL 31 CO 0.13 0.00 0.24 -0.78 0.02 0.00 0.00 177.57 177.18 1r2a h ASP 32 N -0.46 0.32 -0.51 0.57 3.58 -2.01 -1.96 116.42 115.96 1r2a h ASP 32 Ca -0.02 0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.55 1r2a h ASP 32 Cb 0.43 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.39 1r2a h ASP 32 CO -0.10 0.22 0.13 0.15 -2.88 0.00 0.00 179.24 176.77 1r2a h PHE 33 N 0.46 0.22 -0.57 0.28 3.57 -1.39 -0.56 116.94 118.95 1r2a h PHE 33 Ca 0.23 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.86 1r2a h PHE 33 Cb 0.16 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 1r2a h PHE 33 CO -0.11 0.03 0.12 0.00 -2.23 0.00 0.00 178.31 176.12 1r2a h ALA 34 N 1.38 0.67 -0.07 2.41 0.00 0.82 -0.91 119.26 123.55 1r2a h ALA 34 Ca 0.25 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1r2a h ALA 34 Cb 0.32 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r2a h ALA 34 CO -0.30 -0.30 0.03 0.28 0.00 0.00 0.00 179.25 178.96 1r2a h VAL 35 N 0.26 1.12 -0.06 0.00 2.07 -0.93 -2.41 116.25 116.30 1r2a h VAL 35 Ca 0.30 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1r2a h VAL 35 Cb 0.43 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1r2a h VAL 35 CO -0.38 0.11 -0.38 -0.33 0.02 0.00 0.00 177.57 176.60 1r2a h GLU 36 N -0.02 -0.48 0.22 1.57 3.07 -0.24 1.19 114.58 119.89 1r2a h GLU 36 Ca 0.02 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1r2a h GLU 36 Cb 0.14 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1r2a h GLU 36 CO -0.00 -0.32 -0.32 -0.92 -1.40 0.00 0.00 179.01 176.04 1r2a h TYR 37 N -0.50 -0.92 0.24 4.33 3.20 -1.15 0.26 116.97 122.43 1r2a h TYR 37 Ca 0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1r2a h TYR 37 Cb 0.61 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1r2a h TYR 37 CO -0.43 -0.40 -0.19 0.74 -1.64 0.00 0.00 178.16 176.25 1r2a h PHE 38 N -0.57 -0.49 -0.91 -3.82 0.04 -1.28 0.25 116.94 110.18 1r2a h PHE 38 Ca -0.02 -0.00 0.22 0.00 2.80 0.00 0.00 57.97 60.97 1r2a h PHE 38 Cb 0.52 0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.79 1r2a h PHE 38 CO -0.27 -0.28 0.61 1.15 -0.60 0.00 0.00 178.31 178.92 1r2a h THR 39 N -0.43 0.63 0.00 -1.55 2.02 0.16 0.30 112.91 114.03 1r2a h THR 39 Ca -0.01 -0.10 -0.19 0.00 0.77 0.00 0.00 66.41 66.87 1r2a h THR 39 Cb 0.38 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1r2a h THR 39 CO -0.01 0.05 -0.93 -0.09 0.37 0.00 0.00 175.52 174.91 1r2a h ARG 40 N 0.29 0.00 -0.61 6.66 2.43 0.39 -3.23 114.38 120.31 1r2a h ARG 40 Ca 0.47 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.70 1r2a h ARG 40 Cb 1.34 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 1r2a h ARG 40 CO -0.14 0.93 0.40 1.25 -1.51 0.00 0.00 179.97 180.90 1r2a h LEU 41 N 0.00 0.51 -1.85 3.80 5.85 0.17 0.64 115.31 124.43 1r2a h LEU 41 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1r2a h LEU 41 Cb 1.66 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1r2a h LEU 41 CO 0.12 0.33 0.10 0.03 -0.34 0.00 0.00 178.44 178.68 1r2a h ARG 42 N 0.58 0.20 0.00 1.25 2.47 -1.54 -2.82 114.38 114.53 1r2a h ARG 42 Ca 0.26 -0.01 -0.37 0.00 -1.26 0.00 0.00 59.98 58.60 1r2a h ARG 42 Cb 0.30 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.50 1r2a h ARG 42 CO -0.08 0.13 -2.40 0.39 0.56 0.00 0.00 179.97 178.58 1r2a n GLU 43 N -4.52 0.69 0.00 0.04 1.02 -0.16 -4.69 120.64 113.03 1r2a n GLU 43 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1r2a n GLU 43 Cb 0.08 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1r2a n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r2a n ALA 44 N -2.80 -0.13 -0.45 0.62 0.00 0.21 -4.66 120.51 113.30 1r2a n ALA 44 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1r2a n ALA 44 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 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 -0.92 0.00 -0.37 0.00 5.12 -1.08 -5.07 116.66 114.34 1r2a n ARG 45 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1r2a n ARG 45 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1r2a n ARG 45 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24