#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 0.00 -0.26 3.69 -0.58 -1.26 -4.91 120.64 117.32 1f4i n GLU 2 Ca 0.00 0.00 0.32 0.00 -0.42 0.00 0.00 57.16 57.06 1f4i n GLU 2 Cb 0.00 -2.28 0.57 0.00 -0.57 0.00 0.00 31.44 29.16 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1f4i h LYS 3 N 2.57 0.00 0.15 3.49 5.09 -2.05 0.16 116.57 125.98 1f4i h LYS 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1f4i h LYS 3 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1f4i h LYS 3 CO 0.00 0.00 -0.07 1.49 -2.09 0.00 0.00 179.45 178.78 1f4i h GLU 4 N 0.00 -0.19 0.00 0.07 4.81 -2.01 -2.20 114.58 115.05 1f4i h GLU 4 Ca 0.53 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1f4i h GLU 4 Cb 2.75 0.04 0.00 0.00 0.63 0.00 0.00 28.75 32.17 1f4i h GLU 4 CO -0.01 -0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.22 1f4i h ALA 5 N 0.55 1.00 -0.42 2.92 0.00 -1.12 -3.28 119.26 118.91 1f4i h ALA 5 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1f4i h ALA 5 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1f4i h ALA 5 CO 0.03 0.00 -0.14 0.82 0.00 0.00 0.00 179.25 179.96 1f4i h ILE 6 N 0.00 1.28 0.00 0.00 2.04 -0.87 0.14 117.51 120.10 1f4i h ILE 6 Ca 0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1f4i h ILE 6 Cb 0.65 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1f4i h ILE 6 CO 0.00 0.43 0.00 1.05 0.00 0.00 0.00 178.15 179.63 1f4i h GLU 7 N 0.65 0.00 0.00 2.37 4.11 -1.54 -1.30 114.58 118.88 1f4i h GLU 7 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1f4i h GLU 7 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1f4i h GLU 7 CO 0.05 0.00 -0.12 -0.09 0.07 0.00 0.00 179.01 178.92 1f4i h ARG 8 N 0.00 0.00 -0.58 1.06 9.65 -1.45 -2.14 114.38 120.92 1f4i h ARG 8 Ca 0.00 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.00 1f4i h ARG 8 Cb 0.50 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.97 1f4i h ARG 8 CO 0.00 0.42 -0.16 -0.07 2.80 0.00 0.00 179.97 182.96 1f4i h LEU 9 N -1.00 -0.57 -0.96 3.80 3.38 -0.75 0.40 115.31 119.61 1f4i h LEU 9 Ca -0.02 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1f4i h LEU 9 Cb 0.48 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1f4i h LEU 9 CO -0.01 -0.20 -0.11 0.11 0.09 0.00 0.00 178.44 178.32 1f4i h LYS 10 N -0.01 0.64 0.00 1.13 1.57 -1.38 -2.87 116.57 115.65 1f4i h LYS 10 Ca 0.28 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1f4i h LYS 10 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1f4i h LYS 10 CO -0.60 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1f4i h ALA 11 N 1.30 1.00 0.00 3.86 0.00 -0.24 -0.92 119.26 124.26 1f4i h ALA 11 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1f4i h ALA 11 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1f4i h ALA 11 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1f4i n LEU 12 N -2.98 0.00 0.00 0.00 4.32 -0.72 -4.81 117.00 112.82 1f4i n LEU 12 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1f4i n LEU 12 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 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 0.49 1.48 0.00 -0.72 0.00 -0.45 -5.10 105.19 100.89 1f4i n GLY 13 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.43 0.00 -3.63 1.61 3.72 -0.63 -5.08 117.46 112.03 1f4i n PHE 14 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1f4i n PHE 14 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 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 3.86 0.71 0.54 -1.08 2.12 -1.26 -4.82 118.70 118.77 1f4i s GLU 15 Ca 0.00 0.78 0.49 0.00 0.36 0.00 0.00 54.97 56.60 1f4i s GLU 15 Cb 0.00 0.35 1.70 0.00 0.26 0.00 0.00 34.13 36.43 1f4i s GLU 15 CO 0.00 -0.10 1.52 -1.91 -0.54 0.00 0.00 175.26 174.23 1f4i n GLU 16 N 2.35 -0.00 -0.07 4.30 4.07 -1.26 -0.98 120.64 129.05 1f4i n GLU 16 Ca -0.13 1.06 -0.12 0.00 -0.06 0.00 0.00 57.16 57.90 1f4i n GLU 16 Cb 0.56 -2.44 -0.11 0.00 -0.06 0.00 0.00 31.44 29.38 1f4i n GLU 16 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1f4i h SER 17 N 0.00 0.00 0.56 4.31 0.02 -1.99 -1.25 113.55 115.20 1f4i h SER 17 Ca 0.92 -0.81 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1f4i h SER 17 Cb 3.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 66.24 1f4i h SER 17 CO -0.01 0.96 -0.07 0.17 -1.14 0.00 0.00 176.83 176.74 1f4i h LEU 18 N -1.00 0.00 0.20 5.07 -0.00 -1.50 -2.26 115.31 115.82 1f4i h LEU 18 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1f4i h LEU 18 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1f4i h LEU 18 CO -0.02 0.07 -0.10 0.58 -0.00 0.00 0.00 178.44 178.98 1f4i h VAL 19 N 0.00 0.54 -0.34 0.15 2.07 -1.13 -0.37 116.25 117.17 1f4i h VAL 19 Ca -0.00 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1f4i h VAL 19 Cb 0.37 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1f4i h VAL 19 CO 0.01 0.15 0.21 0.40 0.02 0.00 0.00 177.57 178.36 1f4i h ILE 20 N -0.97 1.07 0.00 4.57 1.08 -1.16 0.18 117.51 122.28 1f4i h ILE 20 Ca -0.03 -0.15 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1f4i h ILE 20 Cb 0.45 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 1f4i h ILE 20 CO 0.05 0.08 -0.47 -0.61 -0.69 0.00 0.00 178.15 176.51 1f4i h GLN 21 N 0.44 0.00 0.00 2.37 -0.00 -1.53 0.23 115.11 116.63 1f4i h GLN 21 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1f4i h GLN 21 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.45 1f4i h GLN 21 CO -0.04 0.47 0.00 0.00 0.00 0.00 0.00 178.83 179.25 1f4i n ALA 22 N -2.42 2.23 -0.08 3.38 0.00 -0.15 -1.44 120.51 122.03 1f4i n ALA 22 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1f4i n ALA 22 Cb 0.50 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.00 0.00 0.04 0.00 9.36 0.56 -3.86 117.16 121.26 1f4i n TYR 23 Ca 0.06 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.05 1f4i n TYR 23 Cb 0.38 -0.84 -0.14 0.00 -0.63 0.00 0.00 39.34 38.10 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 0.61 0.00 2.98 0.04 -0.59 0.47 116.94 120.45 1f4i h PHE 24 Ca -0.44 -0.45 -0.07 0.00 2.80 0.00 0.00 57.97 59.82 1f4i h PHE 24 Cb 1.98 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.09 1f4i h PHE 24 CO 0.00 1.72 -0.33 0.00 -0.60 0.00 0.00 178.31 179.10 1f4i h ALA 25 N 0.08 1.08 -0.03 2.45 0.00 -1.46 -2.03 119.26 119.36 1f4i h ALA 25 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1f4i h ALA 25 Cb 2.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1f4i h ALA 25 CO 0.13 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1f4i n GLU 27 N -0.58 -2.00 -3.79 0.00 2.13 -0.76 -3.92 120.64 111.72 1f4i n GLU 27 Ca 0.14 0.86 -0.22 0.00 0.66 0.00 0.00 57.16 58.60 1f4i n GLU 27 Cb 0.12 -5.54 -0.01 0.00 0.27 0.00 0.00 31.44 26.28 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 -3.25 -0.71 0.00 5.31 4.76 0.17 -4.91 118.16 119.53 1f4i n LYS 28 Ca -0.07 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 1f4i n LYS 28 Cb 0.61 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.85 0.00 0.00 4.39 2.85 -1.25 -5.08 115.26 115.32 1f4i n ASN 29 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 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 0.31 1.20 1.02 -1.26 -4.68 120.64 117.23 1f4i n GLU 30 Ca 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.34 1f4i n GLU 30 Cb 0.00 0.00 1.04 0.00 -0.02 0.00 0.00 31.44 32.46 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 0.16 1.62 -0.26 -2.00 -1.78 115.58 113.33 1f4i h ASN 31 Ca 0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.52 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1f4i h ASN 31 CO 0.00 0.01 -0.97 0.25 -1.06 0.00 0.00 177.43 175.67 1f4i h LEU 32 N 0.00 0.54 -0.18 1.61 5.85 -1.93 -2.20 115.31 119.00 1f4i h LEU 32 Ca -0.00 -0.95 -0.00 0.00 0.84 0.00 0.00 57.88 57.77 1f4i h LEU 32 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1f4i h LEU 32 CO 0.00 1.47 0.11 0.00 -0.34 0.00 0.00 178.44 179.67 1f4i h ALA 33 N 0.09 0.24 -0.34 1.25 0.00 -1.67 0.08 119.26 118.90 1f4i h ALA 33 Ca -0.17 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1f4i h ALA 33 Cb 1.75 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1f4i h ALA 33 CO 0.17 -0.24 0.13 0.00 0.00 0.00 0.00 179.25 179.32 1f4i h ALA 34 N 1.01 0.40 -0.52 0.00 0.00 -1.45 -1.69 119.26 117.01 1f4i h ALA 34 Ca 0.07 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1f4i h ALA 34 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1f4i h ALA 34 CO -0.01 -0.26 0.35 -0.97 0.00 0.00 0.00 179.25 178.36 1f4i h ASN 35 N 0.29 0.40 0.63 0.00 -1.24 -0.95 -0.30 115.58 114.41 1f4i h ASN 35 Ca 0.15 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1f4i h ASN 35 Cb 0.11 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.08 1f4i h ASN 35 CO -0.14 0.26 -0.30 0.15 -1.29 0.00 0.00 177.43 176.10 1f4i h PHE 36 N 0.45 -0.78 0.00 0.67 3.04 -0.11 -0.49 116.94 119.72 1f4i h PHE 36 Ca 0.23 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.07 1f4i h PHE 36 Cb 0.32 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1f4i h PHE 36 CO -0.00 -0.48 -0.43 -0.07 -2.02 0.00 0.00 178.31 175.31 1f4i h LEU 37 N -0.86 0.00 0.00 0.59 4.07 -0.69 -2.15 115.31 116.26 1f4i h LEU 37 Ca -0.09 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.73 1f4i h LEU 37 Cb 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1f4i h LEU 37 CO 0.14 0.43 -1.09 -0.07 -1.08 0.00 0.00 178.44 176.77 1f4i h LEU 38 N 0.00 0.00 -0.06 1.67 3.38 -1.10 -3.28 115.31 115.91 1f4i h LEU 38 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1f4i h LEU 38 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1f4i h LEU 38 CO 0.06 0.53 -0.27 -1.28 0.09 0.00 0.00 178.44 177.56 1f4i h SER 39 N 0.00 0.00 -0.90 -0.43 0.87 -0.77 -3.45 113.55 108.88 1f4i h SER 39 Ca -0.10 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.00 1f4i h SER 39 Cb 1.49 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.42 1f4i h SER 39 CO 0.05 0.27 1.66 0.00 -0.53 0.00 0.00 176.83 178.28 1f4i n GLN 40 N -3.18 0.59 -2.14 2.24 6.02 -0.84 -4.85 117.38 115.22 1f4i n GLN 40 Ca 0.03 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1f4i n GLN 40 Cb 0.63 -2.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 1f4i n GLN 40 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1f4i s ASN 41 N 10.71 6.79 -0.32 1.08 0.01 -1.26 -4.95 114.94 127.00 1f4i s ASN 41 Ca 1.14 2.40 -0.10 0.00 -0.71 0.00 0.00 52.86 55.58 1f4i s ASN 41 Cb -0.62 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 38.63 1f4i s ASN 41 CO 0.35 -0.66 1.05 0.12 -1.51 0.00 0.00 177.10 176.46 1f4i s PHE 42 N 0.88 -0.38 -0.30 2.20 5.36 -1.26 -5.16 117.98 119.33 1f4i s PHE 42 Ca 0.64 0.10 -0.20 0.00 -0.96 0.00 0.00 56.93 56.51 1f4i s PHE 42 Cb -0.38 0.07 0.20 0.00 -0.34 0.00 0.00 43.02 42.57 1f4i s PHE 42 CO 0.32 -0.25 1.34 0.34 -1.46 0.00 0.00 175.22 175.52 1f4i s ASP 43 N 2.22 -0.06 -0.32 6.13 2.15 -1.26 -5.14 116.67 120.39 1f4i s ASP 43 Ca 0.18 0.11 -0.09 0.00 0.43 0.00 0.00 52.55 53.18 1f4i s ASP 43 Cb 0.02 0.62 0.19 0.00 -0.30 0.00 0.00 42.92 43.45 1f4i s ASP 43 CO -0.17 -0.02 1.03 -0.62 -0.17 0.00 0.00 175.17 175.23 1f4i s ASP 44 N 0.60 -0.39 0.00 -0.34 -1.08 -1.26 -5.33 116.67 108.86 1f4i s ASP 44 Ca -0.01 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1f4i s ASP 44 Cb -0.03 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.14 1f4i s ASP 44 CO -0.12 -0.05 0.45 -1.84 0.52 0.00 0.00 175.17 174.13