#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 4.33 -0.44 -0.72 0.04 -1.26 -4.11 135.00 132.85 1f8p s PRO 2 Ca 0.00 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1f8p s PRO 2 Cb 0.00 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 31.07 1f8p s PRO 2 CO 0.00 -0.46 0.56 0.43 0.04 0.00 0.00 177.00 177.57 1f8p n SER 3 N 4.89 -7.44 -4.74 6.66 7.64 -1.26 -5.04 113.62 114.32 1f8p n SER 3 Ca 0.12 0.40 -0.23 0.00 1.01 0.00 0.00 58.87 60.16 1f8p n SER 3 Cb 0.45 -5.03 -0.06 0.00 -1.01 0.00 0.00 64.21 58.56 1f8p n SER 3 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1f8p s LYS 4 N -2.56 2.65 -1.21 1.43 0.00 -1.26 -5.02 119.74 113.78 1f8p s LYS 4 Ca 0.19 -1.16 -0.18 0.00 0.00 0.00 0.00 55.97 54.82 1f8p s LYS 4 Cb -0.05 -2.42 -0.02 0.00 0.00 0.00 0.00 37.83 35.34 1f8p s LYS 4 CO 0.70 0.41 2.00 -0.35 0.00 0.00 0.00 175.35 178.11 1f8p n PRO 5 N -0.86 2.40 -1.06 1.78 -0.04 -1.26 -4.97 135.00 131.00 1f8p n PRO 5 Ca -0.08 -2.53 -0.34 0.00 -0.04 0.00 0.00 63.50 60.50 1f8p n PRO 5 Cb 0.58 -3.30 0.10 0.00 -0.04 0.00 0.00 33.50 30.84 1f8p n PRO 5 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1f8p n ASP 6 N 8.09 -0.99 -4.77 3.54 5.68 -1.26 -4.96 116.55 121.88 1f8p n ASP 6 Ca 0.50 0.50 -0.38 0.00 -0.50 0.00 0.00 54.79 54.91 1f8p n ASP 6 Cb 0.42 -1.28 -0.01 0.00 -1.14 0.00 0.00 41.12 39.11 1f8p n ASP 6 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1f8p s ASN 7 N -1.81 6.29 0.25 -1.12 -0.87 -1.26 -4.97 114.94 111.44 1f8p s ASN 7 Ca 0.64 2.35 -0.00 0.00 -1.57 0.00 0.00 52.86 54.28 1f8p s ASN 7 Cb -0.29 -2.61 0.31 0.00 -0.02 0.00 0.00 41.25 38.64 1f8p s ASN 7 CO 0.60 -0.84 1.67 1.55 -2.57 0.00 0.00 177.10 177.51 1f8p h PRO 8 N 2.28 0.59 0.00 -0.60 0.13 -2.04 -3.49 132.00 128.88 1f8p h PRO 8 Ca -0.49 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1f8p h PRO 8 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1f8p h PRO 8 CO 0.61 0.80 0.00 0.41 -0.23 0.00 0.00 178.00 179.59 1f8p n GLY 9 N -0.28 1.40 3.63 1.56 0.00 -1.26 -5.02 105.19 105.21 1f8p n GLY 9 Ca -0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 1f8p n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f8p s GLU 10 N 0.00 0.24 -0.31 1.61 1.03 -1.26 -5.10 118.70 114.92 1f8p s GLU 10 Ca 0.00 0.18 -0.04 0.00 0.03 0.00 0.00 54.97 55.14 1f8p s GLU 10 Cb 0.00 0.12 0.01 0.00 -0.80 0.00 0.00 34.13 33.45 1f8p s GLU 10 CO 0.00 -0.05 0.15 -3.47 -1.33 0.00 0.00 175.26 170.56 1f8p n ASP 11 N 1.29 -7.46 -2.45 0.83 -0.08 -1.26 -5.08 116.55 102.33 1f8p n ASP 11 Ca -0.08 1.08 -0.11 0.00 -1.51 0.00 0.00 54.79 54.17 1f8p n ASP 11 Cb 0.57 -4.96 -0.03 0.00 2.34 0.00 0.00 41.12 39.04 1f8p n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f8p n ALA 12 N 0.37 -0.04 -1.00 -1.67 0.00 -1.26 -5.17 120.51 111.74 1f8p n ALA 12 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1f8p n ALA 12 Cb 0.12 0.97 0.00 0.00 0.00 0.00 0.00 19.45 20.54 1f8p n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1f8p n PRO 13 N -0.42 -0.13 0.00 0.00 -0.04 -1.26 -4.48 135.00 128.67 1f8p n PRO 13 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1f8p n PRO 13 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1f8p n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8p n ALA 14 N -3.00 0.00 -0.23 0.55 0.00 -1.26 -4.33 120.51 112.24 1f8p n ALA 14 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1f8p n ALA 14 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 0.05 0.23 0.00 4.22 -2.00 0.30 114.58 117.38 1f8p h GLU 15 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1f8p h GLU 15 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1f8p h GLU 15 CO 0.00 0.03 -0.11 0.22 -2.18 0.00 0.00 179.01 176.97 1f8p h ASP 16 N 0.05 -0.26 -0.95 1.04 1.82 -1.79 -2.45 116.42 113.89 1f8p h ASP 16 Ca 0.35 -0.08 0.20 0.00 -0.39 0.00 0.00 57.03 57.11 1f8p h ASP 16 Cb 0.56 0.07 -0.08 0.00 0.68 0.00 0.00 39.33 40.56 1f8p h ASP 16 CO -0.65 -0.08 0.61 0.25 -1.61 0.00 0.00 179.24 177.76 1f8p h LEU 17 N -0.42 0.54 -1.37 2.28 5.85 -1.64 0.76 115.31 121.29 1f8p h LEU 17 Ca -0.03 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1f8p h LEU 17 Cb 0.32 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1f8p h LEU 17 CO 0.05 0.20 0.51 0.00 -0.34 0.00 0.00 178.44 178.87 1f8p h ALA 18 N 1.62 1.79 0.47 1.25 0.00 0.06 0.25 119.26 124.70 1f8p h ALA 18 Ca 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1f8p h ALA 18 Cb 1.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1f8p h ALA 18 CO -0.25 0.05 -0.31 -0.09 0.00 0.00 0.00 179.25 178.65 1f8p h ARG 19 N 0.70 -0.71 -0.39 0.00 9.65 -0.78 -2.67 114.38 120.17 1f8p h ARG 19 Ca 0.36 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.40 1f8p h ARG 19 Cb 0.47 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1f8p h ARG 19 CO -0.14 -0.48 0.34 -0.92 2.80 0.00 0.00 179.97 181.58 1f8p h TYR 20 N -0.74 0.00 -0.40 2.20 3.20 -1.17 -1.36 116.97 118.71 1f8p h TYR 20 Ca -0.06 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.74 1f8p h TYR 20 Cb 0.60 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1f8p h TYR 20 CO -0.06 0.00 -0.03 -0.92 -1.64 0.00 0.00 178.16 175.51 1f8p h TYR 21 N 0.00 0.69 0.09 -3.82 3.20 -0.24 0.63 116.97 117.52 1f8p h TYR 21 Ca 0.18 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1f8p h TYR 21 Cb 0.86 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1f8p h TYR 21 CO 0.00 0.67 -0.29 0.77 -1.64 0.00 0.00 178.16 177.68 1f8p h SER 22 N 0.61 -0.83 -0.44 -2.11 0.02 -1.01 0.43 113.55 110.21 1f8p h SER 22 Ca 0.12 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1f8p h SER 22 Cb 0.43 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1f8p h SER 22 CO 0.02 -0.37 0.08 0.00 -1.14 0.00 0.00 176.83 175.42 1f8p h ALA 23 N 0.23 0.58 -0.74 3.77 0.00 -1.55 -1.52 119.26 120.03 1f8p h ALA 23 Ca 0.04 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1f8p h ALA 23 Cb 0.53 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1f8p h ALA 23 CO -0.19 0.30 0.41 -0.07 0.00 0.00 0.00 179.25 179.70 1f8p h LEU 24 N 0.58 0.59 0.08 0.00 3.38 -0.71 -1.40 115.31 117.85 1f8p h LEU 24 Ca 0.13 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1f8p h LEU 24 Cb 0.37 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1f8p h LEU 24 CO 0.01 0.36 -0.22 -0.09 0.09 0.00 0.00 178.44 178.59 1f8p h ARG 25 N 0.72 -0.38 -0.63 1.13 2.43 0.59 0.47 114.38 118.72 1f8p h ARG 25 Ca 0.35 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.65 1f8p h ARG 25 Cb 0.28 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 1f8p h ARG 25 CO -0.22 -0.25 0.22 1.25 -1.51 0.00 0.00 179.97 179.46 1f8p h HIS 26 N -0.39 0.37 0.00 2.20 2.76 -0.32 0.39 115.15 120.16 1f8p h HIS 26 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1f8p h HIS 26 Cb 0.43 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1f8p h HIS 26 CO -0.22 0.06 0.00 0.66 -1.30 0.00 0.00 177.93 177.13 1f8p n TYR 27 N -5.03 0.00 -0.45 5.26 4.02 -0.62 -1.94 117.16 118.40 1f8p n TYR 27 Ca 0.10 0.00 0.37 0.00 -0.01 0.00 0.00 57.90 58.35 1f8p n TYR 27 Cb 0.31 -0.31 0.67 0.00 -0.02 0.00 0.00 39.34 39.98 1f8p n TYR 27 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1f8p h ILE 28 N 0.00 0.21 0.02 -0.72 2.04 0.15 0.47 117.51 119.68 1f8p h ILE 28 Ca 0.00 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1f8p h ILE 28 Cb 0.00 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1f8p h ILE 28 CO 0.00 0.02 -0.01 -1.13 0.00 0.00 0.00 178.15 177.03 1f8p h ASN 29 N 0.11 -0.02 -0.03 1.72 -1.24 -0.25 -1.93 115.58 113.95 1f8p h ASN 29 Ca 0.76 -0.18 -0.21 0.00 0.71 0.00 0.00 56.30 57.39 1f8p h ASN 29 Cb 2.53 0.01 0.02 0.00 0.73 0.00 0.00 38.32 41.60 1f8p h ASN 29 CO -0.28 0.17 -0.79 0.17 -1.29 0.00 0.00 177.43 175.41 1f8p h LEU 30 N -0.21 0.74 -0.68 0.34 8.10 0.41 -2.59 115.31 121.42 1f8p h LEU 30 Ca -0.00 -0.72 0.04 0.00 0.11 0.00 0.00 57.88 57.31 1f8p h LEU 30 Cb 0.20 -0.23 -0.05 0.00 -0.44 0.00 0.00 40.66 40.14 1f8p h LEU 30 CO 0.00 1.36 0.40 -0.29 -4.11 0.00 0.00 178.44 175.81 1f8p h ILE 31 N 0.19 1.03 -0.37 0.15 -0.00 -0.52 -1.17 117.51 116.82 1f8p h ILE 31 Ca -0.09 -0.26 -0.07 0.00 -0.00 0.00 0.00 64.86 64.44 1f8p h ILE 31 Cb 1.46 0.20 -0.01 0.00 -0.00 0.00 0.00 36.82 38.47 1f8p h ILE 31 CO 0.16 0.14 -0.05 0.71 -0.00 0.00 0.00 178.15 179.11 1f8p h THR 32 N 0.76 1.27 -0.92 2.19 1.35 -1.41 0.39 112.91 116.55 1f8p h THR 32 Ca 0.29 -1.09 0.18 0.00 -0.55 0.00 0.00 66.41 65.24 1f8p h THR 32 Cb 0.10 1.23 -0.17 0.00 -1.73 0.00 0.00 68.15 67.58 1f8p h THR 32 CO -0.14 0.36 -0.24 -1.14 -0.25 0.00 0.00 175.52 174.11 1f8p n ARG 33 N -4.42 -0.09 0.01 4.72 0.63 -0.46 0.89 116.66 117.93 1f8p n ARG 33 Ca -0.02 1.44 -0.03 0.00 -0.92 0.00 0.00 57.85 58.32 1f8p n ARG 33 Cb 0.32 -2.14 -0.01 0.00 0.45 0.00 0.00 32.46 31.07 1f8p n ARG 33 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1f8p h GLN 34 N 0.00 -0.14 0.95 -0.14 5.75 -1.50 -3.41 115.11 116.62 1f8p h GLN 34 Ca 0.43 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.90 1f8p h GLN 34 Cb 0.66 0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.25 1f8p h GLN 34 CO -0.95 -0.07 -0.49 -0.09 -2.65 0.00 0.00 178.83 174.59 1f8p h ARG 35 N -1.04 -1.27 -0.01 1.69 1.12 0.36 -3.52 114.38 111.71 1f8p h ARG 35 Ca -0.02 0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1f8p h ARG 35 Cb 0.14 0.29 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1f8p h ARG 35 CO 0.02 -0.85 0.00 0.66 -3.11 0.00 0.00 179.97 176.70