#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8p s PRO 2 N 0.00 3.24 -0.03 2.98 0.04 -1.26 -4.86 135.00 135.11 1f8p s PRO 2 Ca 0.00 0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.79 1f8p s PRO 2 Cb 0.00 -4.15 0.12 0.00 0.04 0.00 0.00 34.50 30.51 1f8p s PRO 2 CO 0.00 -2.05 1.23 0.45 0.04 0.00 0.00 177.00 176.67 1f8p s SER 3 N 4.01 -0.09 -0.47 6.66 0.15 -1.26 -5.08 113.70 117.62 1f8p s SER 3 Ca 0.42 -0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.77 1f8p s SER 3 Cb -0.09 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1f8p s SER 3 CO 0.20 -0.36 0.62 0.29 1.20 0.00 0.00 173.24 175.19 1f8p n LYS 4 N -0.40 -2.23 -2.09 5.44 4.76 -1.26 -4.83 118.16 117.55 1f8p n LYS 4 Ca -0.07 1.97 -0.36 0.00 -2.87 0.00 0.00 58.31 56.98 1f8p n LYS 4 Cb 0.62 -5.23 -0.03 0.00 -1.84 0.00 0.00 35.03 28.54 1f8p n LYS 4 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1f8p s PRO 5 N -2.66 2.67 0.16 1.97 0.04 -1.26 -4.97 135.00 130.95 1f8p s PRO 5 Ca 0.24 0.34 -0.19 0.00 0.04 0.00 0.00 61.00 61.42 1f8p s PRO 5 Cb -0.06 -4.52 -0.08 0.00 0.04 0.00 0.00 34.50 29.88 1f8p s PRO 5 CO 0.78 -2.81 0.66 0.34 0.04 0.00 0.00 177.00 176.02 1f8p s ASP 6 N 7.72 7.07 -0.31 6.66 -1.08 -1.26 -5.06 116.67 130.40 1f8p s ASP 6 Ca 0.65 1.35 -0.11 0.00 -0.52 0.00 0.00 52.55 53.93 1f8p s ASP 6 Cb -0.11 -2.39 0.19 0.00 -1.46 0.00 0.00 42.92 39.14 1f8p s ASP 6 CO 0.15 0.13 1.05 0.54 0.52 0.00 0.00 175.17 177.57 1f8p s ASN 7 N -1.46 -0.36 -0.56 -0.34 4.22 -1.26 -5.12 114.94 110.07 1f8p s ASN 7 Ca 0.38 -0.06 -0.28 0.00 -2.14 0.00 0.00 52.86 50.76 1f8p s ASN 7 Cb -0.18 0.87 0.02 0.00 1.28 0.00 0.00 41.25 43.24 1f8p s ASN 7 CO 0.21 -0.05 1.26 -2.16 -2.04 0.00 0.00 177.10 174.32 1f8p s PRO 8 N 2.50 3.48 -0.39 3.55 0.04 -1.26 -4.82 135.00 138.10 1f8p s PRO 8 Ca 0.22 0.37 0.12 0.00 0.04 0.00 0.00 61.00 61.75 1f8p s PRO 8 Cb 0.01 -4.04 0.39 0.00 0.04 0.00 0.00 34.50 30.90 1f8p s PRO 8 CO -0.19 -1.72 0.85 0.41 0.04 0.00 0.00 177.00 176.39 1f8p n GLY 9 N 5.10 3.43 0.00 0.56 0.00 -1.26 -5.07 105.19 107.94 1f8p n GLY 9 Ca 0.10 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1f8p n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f8p n GLU 10 N 0.05 2.68 0.00 1.61 4.07 -1.26 -5.15 120.64 122.63 1f8p n GLU 10 Ca 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1f8p n GLU 10 Cb 0.67 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.05 1f8p n GLU 10 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1f8p n ASP 11 N 0.00 0.00 -3.62 4.31 2.03 -1.26 -5.14 116.55 112.86 1f8p n ASP 11 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1f8p n ASP 11 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1f8p n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f8p s ALA 12 N 0.00 -1.31 0.25 -1.67 0.00 -1.26 -5.07 121.76 112.69 1f8p s ALA 12 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1f8p s ALA 12 Cb 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1f8p s ALA 12 CO 0.00 -0.35 1.04 -1.25 0.00 0.00 0.00 175.76 175.20 1f8p s PRO 13 N -1.44 4.71 0.00 0.00 0.04 -1.26 -3.01 135.00 134.05 1f8p s PRO 13 Ca -0.11 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1f8p s PRO 13 Cb -0.02 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1f8p s PRO 13 CO 0.06 0.30 0.00 0.00 0.04 0.00 0.00 177.00 177.40 1f8p n ALA 14 N 1.49 0.00 -0.46 8.56 0.00 -1.26 -4.52 120.51 124.33 1f8p n ALA 14 Ca -0.01 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.81 1f8p n ALA 14 Cb 0.46 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.58 1f8p n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1f8p h GLU 15 N 0.00 0.10 0.32 0.00 4.81 -2.01 0.15 114.58 117.96 1f8p h GLU 15 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1f8p h GLU 15 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1f8p h GLU 15 CO 0.00 0.07 -0.15 0.22 -0.73 0.00 0.00 179.01 178.41 1f8p h ASP 16 N 0.10 -0.36 -1.01 1.04 3.58 -1.77 -2.82 116.42 115.18 1f8p h ASP 16 Ca 0.77 -0.15 0.24 0.00 0.42 0.00 0.00 57.03 58.31 1f8p h ASP 16 Cb 2.59 0.09 -0.10 0.00 1.72 0.00 0.00 39.33 43.63 1f8p h ASP 16 CO -0.27 -0.04 0.63 -0.07 -2.88 0.00 0.00 179.24 176.61 1f8p h LEU 17 N -0.72 0.60 -0.87 2.28 3.38 -1.03 0.42 115.31 119.37 1f8p h LEU 17 Ca -0.04 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1f8p h LEU 17 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1f8p h LEU 17 CO 0.07 0.14 0.56 0.00 0.09 0.00 0.00 178.44 179.31 1f8p h ALA 18 N 1.66 1.15 0.65 1.53 0.00 -1.16 0.51 119.26 123.60 1f8p h ALA 18 Ca 0.60 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1f8p h ALA 18 Cb 1.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1f8p h ALA 18 CO -0.37 0.41 -0.34 -0.09 0.00 0.00 0.00 179.25 178.87 1f8p h ARG 19 N 1.09 -0.87 -0.05 0.00 9.65 0.05 -1.95 114.38 122.30 1f8p h ARG 19 Ca 0.35 0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.30 1f8p h ARG 19 Cb 0.01 0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1f8p h ARG 19 CO -0.12 -0.58 0.07 -0.92 2.80 0.00 0.00 179.97 181.22 1f8p h TYR 20 N -0.91 0.00 -0.51 2.20 3.20 -0.95 -2.32 116.97 117.69 1f8p h TYR 20 Ca -0.09 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 1f8p h TYR 20 Cb 0.71 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1f8p h TYR 20 CO -0.05 0.00 -0.03 -0.92 -1.64 0.00 0.00 178.16 175.53 1f8p h TYR 21 N 0.00 0.95 0.35 -3.82 3.20 0.81 0.27 116.97 118.74 1f8p h TYR 21 Ca 0.02 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1f8p h TYR 21 Cb 0.15 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1f8p h TYR 21 CO 0.00 0.88 -0.25 0.77 -1.64 0.00 0.00 178.16 177.92 1f8p h SER 22 N 0.81 -0.63 -0.56 -2.11 0.02 -1.25 0.84 113.55 110.67 1f8p h SER 22 Ca 0.15 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1f8p h SER 22 Cb 0.52 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1f8p h SER 22 CO 0.03 -0.38 0.08 0.00 -1.14 0.00 0.00 176.83 175.41 1f8p h ALA 23 N 0.00 1.01 -0.12 3.77 0.00 -1.60 -0.89 119.26 121.43 1f8p h ALA 23 Ca -0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1f8p h ALA 23 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1f8p h ALA 23 CO 0.01 0.62 -0.17 1.25 0.00 0.00 0.00 179.25 180.97 1f8p h LEU 24 N 0.92 0.18 0.08 0.00 5.85 -0.16 -2.44 115.31 119.73 1f8p h LEU 24 Ca 0.18 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1f8p h LEU 24 Cb 0.43 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1f8p h LEU 24 CO 0.01 0.36 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.35 1f8p h ARG 25 N 0.18 -0.10 -0.64 1.25 2.43 0.17 0.17 114.38 117.84 1f8p h ARG 25 Ca 0.03 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1f8p h ARG 25 Cb 0.41 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1f8p h ARG 25 CO 0.03 0.33 0.31 1.25 -1.51 0.00 0.00 179.97 180.37 1f8p h HIS 26 N -0.57 0.55 0.00 2.20 2.76 -0.97 0.95 115.15 120.07 1f8p h HIS 26 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1f8p h HIS 26 Cb 0.48 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1f8p h HIS 26 CO 0.07 0.21 0.00 0.66 -1.30 0.00 0.00 177.93 177.58 1f8p n TYR 27 N -4.89 0.00 0.31 5.26 4.01 -0.94 -0.19 117.16 120.72 1f8p n TYR 27 Ca 0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.94 1f8p n TYR 27 Cb 0.23 -0.40 0.61 0.00 -0.31 0.00 0.00 39.34 39.48 1f8p n TYR 27 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1f8p h ILE 28 N 0.00 0.00 0.03 -0.72 2.04 -0.45 0.75 117.51 119.16 1f8p h ILE 28 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1f8p h ILE 28 Cb 0.00 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1f8p h ILE 28 CO 0.00 0.00 -0.30 -1.13 0.00 0.00 0.00 178.15 176.72 1f8p h ASN 29 N 0.00 0.21 -0.08 1.72 -0.73 0.11 -3.17 115.58 113.64 1f8p h ASN 29 Ca 0.00 -0.87 -0.06 0.00 1.87 0.00 0.00 56.30 57.23 1f8p h ASN 29 Cb 0.88 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1f8p h ASN 29 CO 0.00 1.07 -0.20 0.17 -0.37 0.00 0.00 177.43 178.10 1f8p h LEU 30 N -0.61 0.32 -0.74 0.34 8.10 0.24 -1.25 115.31 121.71 1f8p h LEU 30 Ca -0.05 -0.58 0.13 0.00 0.11 0.00 0.00 57.88 57.49 1f8p h LEU 30 Cb 1.14 -0.09 -0.09 0.00 -0.44 0.00 0.00 40.66 41.18 1f8p h LEU 30 CO 0.06 0.84 0.31 -0.29 -4.11 0.00 0.00 178.44 175.25 1f8p h ILE 31 N -0.20 0.70 -0.33 0.15 -0.00 0.18 0.39 117.51 118.40 1f8p h ILE 31 Ca -0.00 -0.16 -0.16 0.00 -0.00 0.00 0.00 64.86 64.54 1f8p h ILE 31 Cb 0.80 0.19 -0.00 0.00 -0.00 0.00 0.00 36.82 37.80 1f8p h ILE 31 CO 0.04 0.09 -0.43 0.71 -0.00 0.00 0.00 178.15 178.56 1f8p h THR 32 N 0.47 1.28 -0.72 2.19 1.35 -1.58 -0.94 112.91 114.95 1f8p h THR 32 Ca 0.40 -1.61 0.16 0.00 -0.55 0.00 0.00 66.41 64.81 1f8p h THR 32 Cb 0.57 1.52 -0.13 0.00 -1.73 0.00 0.00 68.15 68.38 1f8p h THR 32 CO -0.37 0.53 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.28 1f8p h ARG 33 N 0.66 0.07 0.15 4.72 2.43 0.10 0.71 114.38 123.22 1f8p h ARG 33 Ca 0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1f8p h ARG 33 Cb 1.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1f8p h ARG 33 CO 0.10 0.05 -0.07 0.37 -1.51 0.00 0.00 179.97 178.90 1f8p h GLN 34 N 0.07 -0.19 0.00 0.20 5.75 -1.48 -3.40 115.11 116.06 1f8p h GLN 34 Ca 0.38 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1f8p h GLN 34 Cb 0.64 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1f8p h GLN 34 CO -0.66 0.15 0.00 0.54 -2.65 0.00 0.00 178.83 176.21 1f8p n ARG 35 N -4.89 0.00 0.00 1.69 1.74 -0.36 -5.13 116.66 109.71 1f8p n ARG 35 Ca -0.06 0.49 0.09 0.00 -0.77 0.00 0.00 57.85 57.60 1f8p n ARG 35 Cb 0.22 -1.34 0.52 0.00 -1.02 0.00 0.00 32.46 30.84 1f8p n ARG 35 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77