#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 1.57 -0.44 -1.09 4.71 -1.26 -4.76 120.64 119.38 1f4i n GLU 2 Ca 0.00 -0.01 0.40 0.00 -0.01 0.00 0.00 57.16 57.54 1f4i n GLU 2 Cb 0.00 -0.94 0.66 0.00 -1.01 0.00 0.00 31.44 30.14 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 1f4i h LYS 3 N 0.00 0.00 0.52 3.49 2.10 -2.04 0.16 116.57 120.79 1f4i h LYS 3 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1f4i h LYS 3 Cb 0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1f4i h LYS 3 CO 0.00 0.00 -0.32 1.49 -2.00 0.00 0.00 179.45 178.62 1f4i h GLU 4 N 0.00 -0.77 0.00 0.07 4.81 -2.02 -2.34 114.58 114.33 1f4i h GLU 4 Ca 0.69 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.97 1f4i h GLU 4 Cb 3.18 0.18 0.00 0.00 0.63 0.00 0.00 28.75 32.74 1f4i h GLU 4 CO -0.01 -0.51 0.00 0.00 -0.73 0.00 0.00 179.01 177.76 1f4i h ALA 5 N -0.38 1.00 -0.15 2.92 0.00 -1.08 -3.29 119.26 118.28 1f4i h ALA 5 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1f4i h ALA 5 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1f4i h ALA 5 CO 0.06 0.00 0.02 0.82 0.00 0.00 0.00 179.25 180.15 1f4i h ILE 6 N 0.00 1.23 0.00 0.00 2.04 -0.85 0.13 117.51 120.06 1f4i h ILE 6 Ca 0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1f4i h ILE 6 Cb 0.61 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1f4i h ILE 6 CO 0.00 0.22 0.00 1.05 0.00 0.00 0.00 178.15 179.42 1f4i h GLU 7 N 0.02 0.00 0.00 2.37 4.11 -1.59 -0.79 114.58 118.70 1f4i h GLU 7 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1f4i h GLU 7 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1f4i h GLU 7 CO 0.00 0.00 -0.06 -0.09 0.07 0.00 0.00 179.01 178.93 1f4i h ARG 8 N 0.00 0.00 -0.52 1.06 2.43 -1.43 -1.04 114.38 114.89 1f4i h ARG 8 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1f4i h ARG 8 Cb 0.38 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1f4i h ARG 8 CO 0.00 0.69 0.22 -0.07 -1.51 0.00 0.00 179.97 179.30 1f4i h LEU 9 N -1.00 0.26 -1.10 3.80 3.38 -0.74 -1.17 115.31 118.74 1f4i h LEU 9 Ca -0.01 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1f4i h LEU 9 Cb 0.71 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1f4i h LEU 9 CO -0.01 0.18 0.04 0.11 0.09 0.00 0.00 178.44 178.85 1f4i h LYS 10 N 0.42 0.68 0.00 1.13 1.79 -1.24 -2.84 116.57 116.51 1f4i h LYS 10 Ca 0.25 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1f4i h LYS 10 Cb 0.23 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1f4i h LYS 10 CO -0.22 0.67 0.00 0.00 -1.08 0.00 0.00 179.45 178.82 1f4i h ALA 11 N 1.40 1.00 0.00 3.86 0.00 0.08 -0.85 119.26 124.75 1f4i h ALA 11 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1f4i h ALA 11 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f4i h ALA 11 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1f4i n LEU 12 N -2.84 0.00 0.00 0.00 4.32 -1.02 -4.82 117.00 112.63 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 0.59 1.45 0.00 -0.72 0.00 -0.40 -5.10 105.19 101.00 1f4i n GLY 13 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.53 0.00 -3.66 1.61 3.72 -0.73 -5.08 117.46 111.80 1f4i n PHE 14 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1f4i n PHE 14 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 4.11 0.70 0.61 -1.08 2.12 -1.26 -4.84 118.70 119.06 1f4i s GLU 15 Ca 0.00 0.89 0.25 0.00 0.36 0.00 0.00 54.97 56.47 1f4i s GLU 15 Cb 0.00 0.31 1.09 0.00 0.26 0.00 0.00 34.13 35.79 1f4i s GLU 15 CO 0.00 -0.10 1.53 1.49 -0.54 0.00 0.00 175.26 177.65 1f4i h GLU 16 N 5.45 0.00 0.00 4.30 4.81 -1.95 0.95 114.58 128.14 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 1.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1f4i h GLU 16 CO 0.13 0.00 -0.01 0.77 -0.73 0.00 0.00 179.01 179.17 1f4i h SER 17 N 0.00 0.00 0.48 1.04 0.02 -1.98 -1.21 113.55 111.91 1f4i h SER 17 Ca 0.30 -0.71 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1f4i h SER 17 Cb 2.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.57 1f4i h SER 17 CO -0.00 0.86 -0.07 0.17 -1.14 0.00 0.00 176.83 176.65 1f4i h LEU 18 N -1.00 0.00 0.42 5.07 -0.00 -1.38 -2.26 115.31 116.15 1f4i h LEU 18 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1f4i h LEU 18 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1f4i h LEU 18 CO -0.00 0.07 -0.20 0.58 -0.00 0.00 0.00 178.44 178.88 1f4i h VAL 19 N 0.00 0.23 -0.24 0.15 2.07 -1.00 -0.30 116.25 117.17 1f4i h VAL 19 Ca -0.00 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1f4i h VAL 19 Cb 0.33 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1f4i h VAL 19 CO 0.01 0.05 0.03 0.40 0.02 0.00 0.00 177.57 178.08 1f4i h ILE 20 N -1.07 0.87 0.00 4.57 1.08 -1.07 0.22 117.51 122.11 1f4i h ILE 20 Ca -0.06 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1f4i h ILE 20 Cb 0.52 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1f4i h ILE 20 CO 0.10 0.02 -0.21 -0.61 -0.69 0.00 0.00 178.15 176.75 1f4i h GLN 21 N 0.12 0.00 0.00 2.37 4.15 -1.52 0.35 115.11 120.58 1f4i h GLN 21 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1f4i h GLN 21 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1f4i h GLN 21 CO -0.16 0.21 -0.15 0.00 -1.93 0.00 0.00 178.83 176.80 1f4i n ALA 22 N -2.24 2.65 -0.01 3.38 0.00 -0.12 -1.70 120.51 122.46 1f4i n ALA 22 Ca -0.00 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.33 1f4i n ALA 22 Cb 0.40 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1f4i n ALA 22 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1f4i n TYR 23 N -1.62 0.00 -0.04 0.00 9.36 0.67 -3.91 117.16 121.61 1f4i n TYR 23 Ca 0.06 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.07 1f4i n TYR 23 Cb 0.35 -0.33 -0.13 0.00 -0.63 0.00 0.00 39.34 38.61 1f4i n TYR 23 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1f4i n PHE 24 N -2.00 0.98 0.20 2.98 3.01 0.11 0.05 117.46 122.79 1f4i n PHE 24 Ca -0.04 0.25 0.07 0.00 1.01 0.00 0.00 57.45 58.73 1f4i n PHE 24 Cb 0.40 -1.12 0.38 0.00 -0.01 0.00 0.00 39.48 39.13 1f4i n PHE 24 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f4i h ALA 25 N -0.11 1.03 -0.00 4.37 0.00 -1.53 -2.15 119.26 120.86 1f4i h ALA 25 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1f4i h ALA 25 Cb 1.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1f4i h ALA 25 CO -0.03 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1f4i n GLU 27 N -0.89 -1.52 -3.81 0.00 4.07 -0.81 -3.98 120.64 113.70 1f4i n GLU 27 Ca 0.22 1.24 -0.20 0.00 -0.06 0.00 0.00 57.16 58.37 1f4i n GLU 27 Cb 0.12 -5.35 0.00 0.00 -0.06 0.00 0.00 31.44 26.16 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1f4i n LYS 28 N -2.29 -0.72 -0.30 5.31 4.01 0.11 -4.91 118.16 119.37 1f4i n LYS 28 Ca -0.05 -0.23 0.00 0.00 -0.51 0.00 0.00 58.31 57.52 1f4i n LYS 28 Cb 0.55 -0.67 0.00 0.00 -0.51 0.00 0.00 35.03 34.39 1f4i n LYS 28 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1f4i n ASN 29 N -0.50 0.76 0.00 4.39 5.15 -1.26 -5.10 115.26 118.71 1f4i n ASN 29 Ca -0.06 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1f4i n ASN 29 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1f4i n GLU 30 N -0.13 0.00 0.31 1.20 1.02 -1.26 -4.55 120.64 117.23 1f4i n GLU 30 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 1f4i n GLU 30 Cb 0.00 0.00 1.00 0.00 -0.02 0.00 0.00 31.44 32.42 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1f4i h ASN 31 N 0.00 0.00 0.20 1.62 -0.73 -2.00 -1.64 115.58 113.04 1f4i h ASN 31 Ca 0.00 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.86 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.61 1f4i h ASN 31 CO 0.00 0.02 -1.47 0.25 -0.37 0.00 0.00 177.43 175.86 1f4i h LEU 32 N 0.00 0.65 -0.08 0.34 5.85 -1.93 -2.57 115.31 117.57 1f4i h LEU 32 Ca -0.00 -0.92 -0.00 0.00 0.84 0.00 0.00 57.88 57.80 1f4i h LEU 32 Cb 0.16 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1f4i h LEU 32 CO 0.00 1.68 0.05 0.00 -0.34 0.00 0.00 178.44 179.83 1f4i h ALA 33 N 0.10 0.10 -0.30 1.25 0.00 -1.66 -0.36 119.26 118.39 1f4i h ALA 33 Ca -0.28 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1f4i h ALA 33 Cb 2.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 1f4i h ALA 33 CO 0.19 -0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.15 1f4i h ALA 34 N 0.98 0.32 -0.66 0.00 0.00 -1.43 -1.79 119.26 116.68 1f4i h ALA 34 Ca 0.03 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1f4i h ALA 34 Cb 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1f4i h ALA 34 CO -0.01 -0.33 0.44 -0.97 0.00 0.00 0.00 179.25 178.39 1f4i h ASN 35 N 0.20 0.46 0.43 0.00 -0.73 -1.10 -0.58 115.58 114.27 1f4i h ASN 35 Ca 0.13 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1f4i h ASN 35 Cb 0.12 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1f4i h ASN 35 CO -0.16 0.28 -0.21 0.15 -0.37 0.00 0.00 177.43 177.12 1f4i h PHE 36 N 0.52 -0.54 0.00 0.67 3.04 -0.22 -1.42 116.94 118.98 1f4i h PHE 36 Ca 0.31 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.12 1f4i h PHE 36 Cb 0.51 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1f4i h PHE 36 CO -0.00 -0.33 -0.56 -0.07 -2.02 0.00 0.00 178.31 175.33 1f4i h LEU 37 N -0.60 0.00 0.00 0.59 4.07 -0.87 -2.82 115.31 115.68 1f4i h LEU 37 Ca -0.06 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.75 1f4i h LEU 37 Cb 0.45 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 1f4i h LEU 37 CO 0.10 0.56 -0.88 -0.07 -1.08 0.00 0.00 178.44 177.07 1f4i h LEU 38 N 0.00 0.00 -0.21 1.67 3.38 -1.15 -3.17 115.31 115.83 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 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1f4i h LEU 38 CO 0.07 0.65 0.00 -1.28 0.09 0.00 0.00 178.44 177.98 1f4i h SER 39 N 0.00 0.00 -1.24 -0.43 0.87 -1.09 -3.42 113.55 108.24 1f4i h SER 39 Ca -0.06 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.18 1f4i h SER 39 Cb 1.55 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 1f4i h SER 39 CO 0.08 0.00 1.04 -1.10 -0.53 0.00 0.00 176.83 176.31 1f4i s GLN 40 N -3.19 2.12 0.10 2.24 -1.52 -1.08 -4.90 119.66 113.44 1f4i s GLN 40 Ca 0.08 0.79 -0.36 0.00 -1.95 0.00 0.00 55.36 53.93 1f4i s GLN 40 Cb 0.10 -4.66 -0.17 0.00 -0.22 0.00 0.00 33.01 28.07 1f4i s GLN 40 CO 0.57 -3.50 1.27 0.27 -0.25 0.00 0.00 175.29 173.64 1f4i n ASN 41 N 15.81 1.42 -3.50 5.90 0.23 -1.26 -4.97 115.26 128.88 1f4i n ASN 41 Ca 0.37 1.13 0.01 0.00 -0.53 0.00 0.00 54.58 55.55 1f4i n ASN 41 Cb 0.50 -1.18 -0.05 0.00 -2.08 0.00 0.00 39.78 36.97 1f4i n ASN 41 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1f4i s PHE 42 N 0.26 -0.41 -0.29 -2.53 5.36 -1.26 -5.16 117.98 113.95 1f4i s PHE 42 Ca 0.82 0.76 -0.14 0.00 -0.96 0.00 0.00 56.93 57.40 1f4i s PHE 42 Cb -0.95 0.24 0.10 0.00 -0.34 0.00 0.00 43.02 42.07 1f4i s PHE 42 CO 0.49 -0.20 0.71 0.34 -1.46 0.00 0.00 175.22 175.10 1f4i s ASP 43 N 1.70 -0.96 0.15 6.13 -1.08 -1.26 -5.05 116.67 116.31 1f4i s ASP 43 Ca -0.05 1.46 -0.03 0.00 -0.52 0.00 0.00 52.55 53.40 1f4i s ASP 43 Cb -0.03 1.63 -0.03 0.00 -1.46 0.00 0.00 42.92 43.03 1f4i s ASP 43 CO -0.15 -0.22 1.36 0.44 0.52 0.00 0.00 175.17 177.13 1f4i h ASP 44 N 7.21 0.50 0.00 -0.34 3.32 -2.06 -3.58 116.42 121.48 1f4i h ASP 44 Ca -0.26 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1f4i h ASP 44 Cb 1.19 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1f4i h ASP 44 CO 0.14 1.14 0.00 -0.62 -1.72 0.00 0.00 179.24 178.19