#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2drn s MET 2 N 0.00 0.47 0.00 -0.41 0.00 -1.26 -5.14 119.30 112.96 2drn s MET 2 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 55.69 56.80 2drn s MET 2 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 34.83 35.49 2drn s MET 2 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.02 175.18 2drn n GLY 3 N 5.32 1.65 1.20 2.11 0.00 -1.26 -5.08 105.19 109.13 2drn n GLY 3 Ca -0.09 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2drn n GLY 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2drn n HIS 4 N 1.25 -2.36 -4.91 1.61 -0.00 -1.26 -5.13 115.22 104.42 2drn n HIS 4 Ca 0.00 0.38 -0.27 0.00 -0.00 0.00 0.00 57.72 57.83 2drn n HIS 4 Cb 0.00 1.19 -0.16 0.00 -0.00 0.00 0.00 29.99 31.02 2drn n HIS 4 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 2drn s ILE 5 N -2.00 1.52 -0.20 3.57 1.10 -1.26 -5.01 121.20 118.92 2drn s ILE 5 Ca 0.00 -0.79 0.08 0.00 -0.51 0.00 0.00 60.65 59.43 2drn s ILE 5 Cb 0.00 -1.28 0.25 0.00 0.15 0.00 0.00 42.46 41.57 2drn s ILE 5 CO 0.00 0.43 1.31 1.67 -2.11 0.00 0.00 174.94 176.24 2drn n GLN 6 N 2.92 0.80 -3.72 3.50 7.27 -1.26 -5.09 117.38 121.80 2drn n GLN 6 Ca -0.17 -1.19 -0.27 0.00 0.07 0.00 0.00 57.00 55.44 2drn n GLN 6 Cb 0.53 0.40 -0.17 0.00 2.41 0.00 0.00 30.24 33.42 2drn n GLN 6 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2drn s ILE 7 N -0.02 0.44 -0.21 1.69 1.09 -1.26 -5.10 121.20 117.83 2drn s ILE 7 Ca 0.06 -0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 58.86 2drn s ILE 7 Cb 0.26 -0.94 -0.02 0.00 -1.06 0.00 0.00 42.46 40.70 2drn s ILE 7 CO -0.08 -0.18 1.51 -2.16 -0.10 0.00 0.00 174.94 173.93 2drn s PRO 8 N 1.90 3.91 1.11 2.79 0.04 -1.26 -5.00 135.00 138.49 2drn s PRO 8 Ca -0.00 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 2drn s PRO 8 Cb -0.17 -3.96 0.25 0.00 0.04 0.00 0.00 34.50 30.66 2drn s PRO 8 CO -0.08 -1.14 1.16 -1.25 0.04 0.00 0.00 177.00 175.73 2drn s PRO 9 N 4.36 -0.51 0.00 0.56 0.04 -1.26 -4.21 135.00 133.98 2drn s PRO 9 Ca 0.66 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2drn s PRO 9 Cb -0.24 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2drn s PRO 9 CO 0.26 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.47 2drn n GLY 10 N -1.71 0.78 0.01 0.56 0.00 -1.26 -4.90 105.19 98.68 2drn n GLY 10 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 2drn n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2drn n LEU 11 N 0.00 0.05 0.05 0.99 4.32 -1.26 -3.81 117.00 117.34 2drn n LEU 11 Ca 0.00 0.30 -0.02 0.00 -0.02 0.00 0.00 56.01 56.27 2drn n LEU 11 Cb 0.00 -0.32 -0.01 0.00 -1.62 0.00 0.00 43.42 41.47 2drn n LEU 11 CO 0.00 0.01 0.14 0.74 -1.22 0.00 0.00 177.39 177.06 2drn h THR 12 N 0.05 0.00 -1.00 -5.08 2.02 -1.94 -2.77 112.91 104.19 2drn h THR 12 Ca 0.00 -0.33 0.19 0.00 0.77 0.00 0.00 66.41 67.04 2drn h THR 12 Cb 0.34 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.64 2drn h THR 12 CO 0.00 0.00 0.60 -0.33 0.37 0.00 0.00 175.52 176.16 2drn h GLU 13 N -0.49 0.73 0.81 6.66 5.08 -1.98 -0.87 114.58 124.52 2drn h GLU 13 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2drn h GLU 13 Cb 0.12 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2drn h GLU 13 CO 0.03 0.48 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.04 2drn h LEU 14 N 0.75 -0.99 0.24 1.33 3.38 -1.67 0.39 115.31 118.75 2drn h LEU 14 Ca 0.58 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 2drn h LEU 14 Cb 0.90 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2drn h LEU 14 CO -0.39 -0.68 -0.13 -0.07 0.09 0.00 0.00 178.44 177.26 2drn h LEU 15 N -1.12 -0.32 -1.26 1.67 -0.00 -1.14 -2.65 115.31 110.50 2drn h LEU 15 Ca -0.11 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.04 2drn h LEU 15 Cb 0.86 0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 41.51 2drn h LEU 15 CO 0.17 -0.21 0.65 -0.61 -0.00 0.00 0.00 178.44 178.44 2drn h GLN 16 N -0.34 0.45 -0.64 1.13 -0.00 -1.28 0.80 115.11 115.24 2drn h GLN 16 Ca -0.03 -0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.72 2drn h GLN 16 Cb 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.61 2drn h GLN 16 CO 0.05 0.30 0.43 0.78 0.00 0.00 0.00 178.83 180.39 2drn h GLY 17 N 0.46 0.47 0.55 2.39 0.00 0.05 -0.99 103.07 106.01 2drn h GLY 17 Ca 0.60 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 2drn h GLY 17 CO -0.34 0.06 -0.22 -1.82 0.00 0.00 0.00 176.54 174.22 2drn h TYR 18 N 0.30 0.30 -0.59 5.60 3.20 0.97 -2.91 116.97 123.84 2drn h TYR 18 Ca 0.30 -0.13 0.17 0.00 3.14 0.00 0.00 58.73 62.21 2drn h TYR 18 Cb 0.78 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2drn h TYR 18 CO -0.00 0.86 0.45 1.15 -1.64 0.00 0.00 178.16 178.98 2drn h THR 19 N -0.35 0.63 0.00 1.81 2.02 -0.86 0.15 112.91 116.31 2drn h THR 19 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2drn h THR 19 Cb 0.89 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2drn h THR 19 CO 0.05 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.46 2drn n VAL 20 N -4.23 0.00 -0.30 3.16 0.31 -0.69 -2.83 118.33 113.75 2drn n VAL 20 Ca 0.11 0.30 0.13 0.00 -0.01 0.00 0.00 64.34 64.87 2drn n VAL 20 Cb 0.69 -0.67 0.30 0.00 -0.91 0.00 0.00 33.84 33.26 2drn n VAL 20 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2drn h GLU 21 N 0.00 0.33 -0.95 5.55 4.11 -1.49 0.42 114.58 122.55 2drn h GLU 21 Ca 0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.46 2drn h GLU 21 Cb 0.00 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2drn h GLU 21 CO 0.00 0.22 0.62 0.28 0.07 0.00 0.00 179.01 180.19 2drn h VAL 22 N 0.34 1.11 0.00 -1.06 2.07 -1.12 0.25 116.25 117.84 2drn h VAL 22 Ca 0.56 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2drn h VAL 22 Cb 1.09 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2drn h VAL 22 CO -0.56 0.21 -0.25 -0.07 0.02 0.00 0.00 177.57 176.91 2drn h LEU 23 N 1.13 0.00 0.52 2.57 3.38 -0.36 -3.27 115.31 119.28 2drn h LEU 23 Ca 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2drn h LEU 23 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2drn h LEU 23 CO -0.14 0.68 -0.41 -0.09 0.09 0.00 0.00 178.44 178.58 2drn h ARG 24 N -1.00 -0.87 -2.59 1.13 2.43 -0.38 -2.96 114.38 110.14 2drn h ARG 24 Ca -0.02 0.06 -0.74 0.00 -0.81 0.00 0.00 59.98 58.47 2drn h ARG 24 Cb 0.33 0.20 -0.13 0.00 -0.42 0.00 0.00 29.97 29.94 2drn h ARG 24 CO -0.01 -0.58 2.32 0.94 -1.51 0.00 0.00 179.97 181.12 2drn n GLN 25 N -5.52 4.58 -1.24 0.20 -0.06 0.88 -4.95 117.38 111.27 2drn n GLN 25 Ca -0.12 -3.48 -0.30 0.00 -2.00 0.00 0.00 57.00 51.11 2drn n GLN 25 Cb 0.41 -2.61 -0.14 0.00 -4.06 0.00 0.00 30.24 23.84 2drn n GLN 25 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2drn n GLN 26 N 1.63 0.00 -1.61 3.69 0.00 -1.12 -4.64 117.38 115.33 2drn n GLN 26 Ca 0.62 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 57.32 2drn n GLN 26 Cb 0.25 -1.13 0.08 0.00 0.00 0.00 0.00 30.24 29.44 2drn n GLN 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2drn s PRO 27 N 7.01 2.31 0.06 3.69 0.04 -1.26 -4.99 135.00 141.86 2drn s PRO 27 Ca 1.12 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 2drn s PRO 27 Cb -0.95 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 31.51 2drn s PRO 27 CO 0.42 -1.47 1.34 -1.00 0.04 0.00 0.00 177.00 176.34 2drn h PRO 28 N -0.98 0.50 -3.93 0.56 0.13 -1.99 -3.43 132.00 122.87 2drn h PRO 28 Ca -0.46 -0.30 -0.46 0.00 -0.87 0.00 0.00 66.00 63.91 2drn h PRO 28 Cb 1.26 0.03 -0.37 0.00 0.13 0.00 0.00 31.00 32.05 2drn h PRO 28 CO 0.60 0.89 -0.78 -0.51 -0.23 0.00 0.00 178.00 177.97 2drn s ASP 29 N -6.38 1.61 0.13 1.44 1.11 -1.26 -5.02 116.67 108.30 2drn s ASP 29 Ca -0.13 -0.15 -0.15 0.00 0.18 0.00 0.00 52.55 52.30 2drn s ASP 29 Cb 0.06 -0.56 -0.00 0.00 1.07 0.00 0.00 42.92 43.50 2drn s ASP 29 CO 0.79 -0.14 1.63 0.25 1.18 0.00 0.00 175.17 178.88 2drn h LEU 30 N 8.02 0.67 0.41 1.23 6.46 -1.98 0.20 115.31 130.33 2drn h LEU 30 Ca -0.26 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.24 2drn h LEU 30 Cb 1.13 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 2drn h LEU 30 CO 0.35 0.75 -0.50 0.58 -0.62 0.00 0.00 178.44 178.99 2drn h VAL 31 N 0.57 0.03 -0.81 1.05 2.07 -1.99 0.54 116.25 117.70 2drn h VAL 31 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2drn h VAL 31 Cb 0.35 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2drn h VAL 31 CO 0.01 0.00 0.50 -0.78 0.02 0.00 0.00 177.57 177.31 2drn h ASP 32 N -0.94 0.97 -0.78 0.57 1.82 -1.98 -1.89 116.42 114.18 2drn h ASP 32 Ca -0.05 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.51 2drn h ASP 32 Cb 0.84 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 2drn h ASP 32 CO -0.11 0.74 0.35 0.15 -1.61 0.00 0.00 179.24 178.75 2drn h PHE 33 N 1.12 1.16 -0.84 0.28 3.57 0.12 0.16 116.94 122.50 2drn h PHE 33 Ca 0.29 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2drn h PHE 33 Cb -0.06 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.29 2drn h PHE 33 CO 0.00 0.86 0.45 0.00 -2.23 0.00 0.00 178.31 177.40 2drn h ALA 34 N 1.24 1.08 -0.04 2.41 0.00 0.85 0.39 119.26 125.19 2drn h ALA 34 Ca 0.27 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 2drn h ALA 34 Cb 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2drn h ALA 34 CO -0.03 0.59 -0.90 0.28 0.00 0.00 0.00 179.25 179.20 2drn h VAL 35 N 1.17 1.34 0.00 0.00 2.07 -1.02 -2.60 116.25 117.22 2drn h VAL 35 Ca 0.30 -2.25 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 2drn h VAL 35 Cb 0.04 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2drn h VAL 35 CO -0.05 0.69 -0.41 -0.08 0.02 0.00 0.00 177.57 177.74 2drn h GLU 36 N 0.34 0.00 0.02 1.57 4.81 -0.35 -2.34 114.58 118.64 2drn h GLU 36 Ca -0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2drn h GLU 36 Cb 1.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2drn h GLU 36 CO 0.17 0.41 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.93 2drn h TYR 37 N 0.00 -0.03 -0.34 0.92 3.20 -0.18 -2.98 116.97 117.56 2drn h TYR 37 Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2drn h TYR 37 Cb 0.98 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 2drn h TYR 37 CO 0.00 -0.02 0.02 0.74 -1.64 0.00 0.00 178.16 177.26 2drn h PHE 38 N -0.37 0.02 -0.58 -3.82 0.04 -1.60 0.92 116.94 111.55 2drn h PHE 38 Ca -0.00 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.89 2drn h PHE 38 Cb 0.02 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 2drn h PHE 38 CO 0.01 -0.04 0.13 1.15 -0.60 0.00 0.00 178.31 178.96 2drn h THR 39 N 0.12 0.67 0.00 -1.55 2.02 -1.59 0.15 112.91 112.73 2drn h THR 39 Ca 0.16 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 2drn h THR 39 Cb 0.22 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2drn h THR 39 CO -0.26 0.05 -0.37 -0.09 0.37 0.00 0.00 175.52 175.22 2drn h ARG 40 N 0.27 0.00 -0.88 6.66 2.43 -1.18 -2.88 114.38 118.80 2drn h ARG 40 Ca 0.30 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 2drn h ARG 40 Cb 0.43 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 2drn h ARG 40 CO -0.37 0.37 0.56 1.25 -1.51 0.00 0.00 179.97 180.26 2drn h LEU 41 N 0.00 0.92 -0.76 3.80 5.85 0.18 -1.77 115.31 123.53 2drn h LEU 41 Ca -0.00 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.87 2drn h LEU 41 Cb 0.69 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 2drn h LEU 41 CO 0.05 0.62 0.27 -0.09 -0.34 0.00 0.00 178.44 178.94 2drn h ARG 42 N 1.07 0.37 -0.40 1.25 2.43 -1.24 0.54 114.38 118.39 2drn h ARG 42 Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2drn h ARG 42 Cb 0.05 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2drn h ARG 42 CO -0.13 0.24 0.00 0.39 -1.51 0.00 0.00 179.97 178.96 2drn n GLU 43 N -5.06 1.94 -1.77 0.20 1.02 -0.75 -3.76 120.64 112.47 2drn n GLU 43 Ca 0.15 -1.34 0.02 0.00 -0.02 0.00 0.00 57.16 55.97 2drn n GLU 43 Cb 0.45 -1.34 0.05 0.00 -0.02 0.00 0.00 31.44 30.58 2drn n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2drn n ALA 44 N 0.55 2.65 0.19 0.62 0.00 0.18 -4.92 120.51 119.79 2drn n ALA 44 Ca 0.12 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.96 2drn n ALA 44 Cb 0.34 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2drn n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2drn n ARG 45 N 0.01 0.00 0.00 0.00 0.63 -0.50 -4.90 116.66 111.91 2drn n ARG 45 Ca 0.09 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.05 2drn n ARG 45 Cb 1.01 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.94 2drn n ARG 45 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66