#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4i n GLU 2 N 0.00 2.86 0.33 2.61 4.07 -1.26 -4.13 120.64 125.13 1f4i n GLU 2 Ca 0.00 -2.01 0.21 0.00 -0.06 0.00 0.00 57.16 55.30 1f4i n GLU 2 Cb 0.00 -1.68 1.15 0.00 -0.06 0.00 0.00 31.44 30.85 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1f4i h LYS 3 N 2.93 0.00 -0.49 5.31 2.10 -2.05 -2.06 116.57 122.31 1f4i h LYS 3 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1f4i h LYS 3 Cb 1.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 1f4i h LYS 3 CO 0.15 0.00 -0.17 0.93 -2.00 0.00 0.00 179.45 178.36 1f4i h GLU 4 N 0.00 0.96 0.00 0.07 3.07 -2.03 -1.97 114.58 114.68 1f4i h GLU 4 Ca -0.00 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1f4i h GLU 4 Cb 0.03 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1f4i h GLU 4 CO 0.00 1.05 0.00 0.00 -1.40 0.00 0.00 179.01 178.66 1f4i h ALA 5 N 0.96 1.00 0.00 3.43 0.00 -1.70 -3.26 119.26 119.69 1f4i h ALA 5 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1f4i h ALA 5 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1f4i h ALA 5 CO 0.06 0.00 -0.54 0.82 0.00 0.00 0.00 179.25 179.59 1f4i h ILE 6 N 0.00 1.10 0.00 0.00 1.08 -1.28 0.15 117.51 118.56 1f4i h ILE 6 Ca 0.00 -2.07 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 1f4i h ILE 6 Cb 0.61 2.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1f4i h ILE 6 CO 0.00 0.53 -0.47 1.05 -0.69 0.00 0.00 178.15 178.57 1f4i h GLU 7 N 0.00 0.00 0.00 2.37 4.11 -1.61 -2.80 114.58 116.65 1f4i h GLU 7 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1f4i h GLU 7 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1f4i h GLU 7 CO 0.07 0.00 -0.42 -0.09 0.07 0.00 0.00 179.01 178.64 1f4i h ARG 8 N 0.00 0.00 -0.32 1.06 9.65 -1.43 -2.07 114.38 121.27 1f4i h ARG 8 Ca 0.00 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1f4i h ARG 8 Cb 0.80 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.33 1f4i h ARG 8 CO 0.00 0.62 0.07 -0.07 2.80 0.00 0.00 179.97 183.39 1f4i h LEU 9 N -1.00 0.03 -1.35 3.80 3.38 -0.91 -1.10 115.31 118.17 1f4i h LEU 9 Ca -0.09 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1f4i h LEU 9 Cb 0.78 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1f4i h LEU 9 CO -0.06 0.05 0.22 0.11 0.09 0.00 0.00 178.44 178.86 1f4i h LYS 10 N 0.19 0.67 0.00 1.13 1.57 -1.64 -2.76 116.57 115.73 1f4i h LYS 10 Ca 0.15 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1f4i h LYS 10 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1f4i h LYS 10 CO -0.19 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 1f4i h ALA 11 N 1.58 1.00 0.00 3.86 0.00 -0.46 -0.69 119.26 124.54 1f4i h ALA 11 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f4i h ALA 11 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f4i h ALA 11 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1f4i n LEU 12 N -2.90 0.00 -0.01 0.00 4.32 -1.03 -4.82 117.00 112.56 1f4i n LEU 12 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1f4i n LEU 12 Cb 0.22 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1f4i n LEU 12 CO 0.23 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1f4i n GLY 13 N 0.53 1.59 0.00 -0.72 0.00 -0.35 -5.10 105.19 101.13 1f4i n GLY 13 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1f4i n GLY 13 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f4i n PHE 14 N -1.36 0.00 -3.62 1.61 3.72 -0.68 -5.08 117.46 112.06 1f4i n PHE 14 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1f4i n PHE 14 Cb 0.09 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 1f4i n PHE 14 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1f4i s GLU 15 N 3.81 0.86 0.66 -1.08 2.56 -1.26 -4.84 118.70 119.41 1f4i s GLU 15 Ca 0.00 0.90 0.24 0.00 0.00 0.00 0.00 54.97 56.10 1f4i s GLU 15 Cb 0.00 0.42 1.29 0.00 2.00 0.00 0.00 34.13 37.84 1f4i s GLU 15 CO 0.00 -0.13 1.73 1.49 -0.56 0.00 0.00 175.26 177.79 1f4i h GLU 16 N 4.72 0.00 0.00 4.30 4.81 -1.96 -0.70 114.58 125.76 1f4i h GLU 16 Ca -0.29 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1f4i h GLU 16 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1f4i h GLU 16 CO 0.10 0.00 -0.01 0.77 -0.73 0.00 0.00 179.01 179.13 1f4i h SER 17 N 0.00 0.00 0.56 1.04 0.02 -1.97 -0.99 113.55 112.21 1f4i h SER 17 Ca 0.00 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 60.33 1f4i h SER 17 Cb 0.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1f4i h SER 17 CO -0.00 0.81 -0.03 0.17 -1.14 0.00 0.00 176.83 176.65 1f4i h LEU 18 N -1.00 0.00 0.20 5.07 -0.00 -1.65 -2.40 115.31 115.53 1f4i h LEU 18 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1f4i h LEU 18 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1f4i h LEU 18 CO -0.00 0.03 -0.09 0.58 -0.00 0.00 0.00 178.44 178.95 1f4i h VAL 19 N 0.00 0.13 -0.38 0.15 2.07 -1.27 -1.22 116.25 115.72 1f4i h VAL 19 Ca -0.00 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1f4i h VAL 19 Cb 0.32 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1f4i h VAL 19 CO 0.00 0.04 0.11 0.40 0.02 0.00 0.00 177.57 178.15 1f4i h ILE 20 N -1.05 0.85 0.00 4.57 1.08 -1.07 0.23 117.51 122.12 1f4i h ILE 20 Ca -0.03 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 64.28 1f4i h ILE 20 Cb 0.27 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1f4i h ILE 20 CO 0.04 0.05 -0.37 -0.61 -0.69 0.00 0.00 178.15 176.58 1f4i h GLN 21 N 0.26 0.00 0.00 2.37 4.15 -1.58 0.17 115.11 120.48 1f4i h GLN 21 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1f4i h GLN 21 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1f4i h GLN 21 CO -0.20 0.37 0.00 0.00 -1.93 0.00 0.00 178.83 177.06 1f4i h ALA 22 N 1.63 1.00 0.00 3.38 0.00 -0.18 -1.61 119.26 123.49 1f4i h ALA 22 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1f4i h ALA 22 Cb 0.90 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1f4i h ALA 22 CO 0.05 0.00 -2.31 0.98 0.00 0.00 0.00 179.25 177.97 1f4i n TYR 23 N -2.47 0.00 0.08 0.00 9.36 0.70 -3.76 117.16 121.07 1f4i n TYR 23 Ca 0.05 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.04 1f4i n TYR 23 Cb 0.43 -0.94 -0.15 0.00 -0.63 0.00 0.00 39.34 38.05 1f4i n TYR 23 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1f4i h PHE 24 N 0.00 0.74 0.00 2.98 0.04 -0.75 0.41 116.94 120.36 1f4i h PHE 24 Ca -0.51 -0.54 -0.06 0.00 2.80 0.00 0.00 57.97 59.66 1f4i h PHE 24 Cb 2.16 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 40.27 1f4i h PHE 24 CO 0.00 1.68 -0.28 0.00 -0.60 0.00 0.00 178.31 179.11 1f4i h ALA 25 N 0.11 1.12 -0.05 2.45 0.00 -1.50 -2.16 119.26 119.22 1f4i h ALA 25 Ca -0.34 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1f4i h ALA 25 Cb 2.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1f4i h ALA 25 CO 0.18 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1f4i n GLU 27 N -0.42 -1.86 -3.84 0.00 2.13 -0.81 -3.90 120.64 111.94 1f4i n GLU 27 Ca 0.14 0.86 -0.24 0.00 0.66 0.00 0.00 57.16 58.59 1f4i n GLU 27 Cb 0.15 -5.35 -0.00 0.00 0.27 0.00 0.00 31.44 26.51 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1f4i n LYS 28 N -3.23 -0.66 0.00 5.31 4.76 0.14 -4.91 118.16 119.57 1f4i n LYS 28 Ca -0.07 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 1f4i n LYS 28 Cb 0.60 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1f4i n LYS 28 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1f4i n ASN 29 N -0.82 0.00 0.00 4.39 2.85 -1.25 -5.08 115.26 115.35 1f4i n ASN 29 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1f4i n ASN 29 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1f4i n GLU 30 N 0.00 0.00 0.29 1.20 1.02 -1.26 -4.78 120.64 117.10 1f4i n GLU 30 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1f4i n GLU 30 Cb 0.00 0.00 0.81 0.00 -0.02 0.00 0.00 31.44 32.23 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1f4i h ASN 31 N 0.00 0.00 0.14 1.62 4.21 -2.00 -1.80 115.58 117.76 1f4i h ASN 31 Ca 0.00 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1f4i h ASN 31 CO 0.00 0.04 -0.82 0.25 -1.29 0.00 0.00 177.43 175.61 1f4i h LEU 32 N 0.00 0.47 -0.22 1.61 7.12 -1.93 -2.62 115.31 119.75 1f4i h LEU 32 Ca -0.00 -0.96 -0.01 0.00 0.13 0.00 0.00 57.88 57.05 1f4i h LEU 32 Cb 0.37 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 1f4i h LEU 32 CO 0.01 1.40 0.11 0.00 -0.13 0.00 0.00 178.44 179.82 1f4i h ALA 33 N 0.08 0.28 -0.26 1.25 0.00 -1.70 0.82 119.26 119.72 1f4i h ALA 33 Ca -0.14 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1f4i h ALA 33 Cb 1.65 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1f4i h ALA 33 CO 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 179.25 179.27 1f4i h ALA 34 N 0.98 0.26 -0.44 0.00 0.00 -1.47 -1.54 119.26 117.06 1f4i h ALA 34 Ca 0.08 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1f4i h ALA 34 Cb 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1f4i h ALA 34 CO -0.01 -0.38 0.29 -0.97 0.00 0.00 0.00 179.25 178.19 1f4i h ASN 35 N 0.14 0.35 0.32 0.00 -0.73 -1.05 -0.71 115.58 113.90 1f4i h ASN 35 Ca 0.12 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1f4i h ASN 35 Cb 0.13 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1f4i h ASN 35 CO -0.17 0.24 -0.16 0.15 -0.37 0.00 0.00 177.43 177.12 1f4i h PHE 36 N 0.40 -0.40 0.00 0.67 3.04 0.09 -0.91 116.94 119.83 1f4i h PHE 36 Ca 0.18 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.02 1f4i h PHE 36 Cb 0.23 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 1f4i h PHE 36 CO -0.00 -0.18 -0.51 -0.07 -2.02 0.00 0.00 178.31 175.53 1f4i h LEU 37 N -0.55 0.00 0.00 0.59 3.38 -0.74 -1.48 115.31 116.51 1f4i h LEU 37 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1f4i h LEU 37 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1f4i h LEU 37 CO 0.07 0.51 -1.13 -0.07 0.09 0.00 0.00 178.44 177.91 1f4i h LEU 38 N 0.00 0.00 -0.32 1.67 3.38 -1.17 -3.24 115.31 115.63 1f4i h LEU 38 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1f4i h LEU 38 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1f4i h LEU 38 CO 0.07 0.61 -0.26 -0.24 0.09 0.00 0.00 178.44 178.71 1f4i n SER 39 N -3.03 0.75 -2.42 -0.43 2.88 -0.35 -4.89 113.62 106.14 1f4i n SER 39 Ca -0.06 -0.64 -0.06 0.00 -1.33 0.00 0.00 58.87 56.78 1f4i n SER 39 Cb 0.83 0.08 0.04 0.00 -0.75 0.00 0.00 64.21 64.41 1f4i n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f4i n GLN 40 N -0.92 -0.15 -4.31 -1.46 1.13 -0.58 -5.05 117.38 106.05 1f4i n GLN 40 Ca 0.11 -0.45 -0.32 0.00 -1.94 0.00 0.00 57.00 54.40 1f4i n GLN 40 Cb 0.33 -0.26 -0.16 0.00 0.11 0.00 0.00 30.24 30.25 1f4i n GLN 40 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1f4i s ASN 41 N -1.99 3.02 -0.02 1.08 0.01 -1.26 -4.93 114.94 110.85 1f4i s ASN 41 Ca 0.15 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 1f4i s ASN 41 Cb -0.00 -1.40 0.02 0.00 0.41 0.00 0.00 41.25 40.27 1f4i s ASN 41 CO 0.11 0.02 0.39 0.33 -1.51 0.00 0.00 177.10 176.44 1f4i n PHE 42 N 4.43 -0.10 -3.98 2.20 7.35 -1.26 -5.16 117.46 120.93 1f4i n PHE 42 Ca -0.20 -0.21 0.01 0.00 -0.76 0.00 0.00 57.45 56.29 1f4i n PHE 42 Cb 0.51 0.41 0.01 0.00 0.35 0.00 0.00 39.48 40.76 1f4i n PHE 42 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1f4i s ASP 43 N -0.31 0.01 -0.39 -2.13 -1.08 -1.26 -5.08 116.67 106.43 1f4i s ASP 43 Ca 0.00 -0.32 0.10 0.00 -0.52 0.00 0.00 52.55 51.82 1f4i s ASP 43 Cb 0.02 0.23 0.40 0.00 -1.46 0.00 0.00 42.92 42.11 1f4i s ASP 43 CO -0.01 -0.46 1.29 -0.67 0.52 0.00 0.00 175.17 175.85 1f4i n ASP 44 N -1.13 -1.49 0.00 -0.34 -0.08 -1.26 -5.24 116.55 107.01 1f4i n ASP 44 Ca 0.03 -2.55 0.07 0.00 -1.51 0.00 0.00 54.79 50.83 1f4i n ASP 44 Cb 0.59 0.85 0.41 0.00 2.34 0.00 0.00 41.12 45.31 1f4i n ASP 44 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70