#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 0.31 3.69 4.07 -1.26 -4.88 120.64 122.57 1f4i n GLU 2 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 1f4i n GLU 2 Cb 0.00 -1.08 0.78 0.00 -0.06 0.00 0.00 31.44 31.08 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 2.15 0.00 -0.26 5.31 2.10 -2.05 -1.29 116.57 122.54 1f4i h LYS 3 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1f4i h LYS 3 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1f4i h LYS 3 CO 0.00 0.00 -0.03 1.49 -2.00 0.00 0.00 179.45 178.91 1f4i h GLU 4 N 0.00 0.47 0.00 0.07 4.22 -2.01 -2.01 114.58 115.32 1f4i h GLU 4 Ca 0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.30 1f4i h GLU 4 Cb 0.77 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1f4i h GLU 4 CO -0.00 0.66 -0.00 0.00 -2.18 0.00 0.00 179.01 177.49 1f4i h ALA 5 N 0.79 1.00 -0.42 2.92 0.00 -1.67 -3.29 119.26 118.60 1f4i h ALA 5 Ca 0.07 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1f4i h ALA 5 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1f4i h ALA 5 CO 0.02 0.00 -0.14 0.82 0.00 0.00 0.00 179.25 179.95 1f4i h ILE 6 N 0.00 1.28 0.00 0.00 2.04 -1.10 0.13 117.51 119.85 1f4i h ILE 6 Ca -0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1f4i h ILE 6 Cb 0.81 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1f4i h ILE 6 CO 0.00 0.42 0.00 1.05 0.00 0.00 0.00 178.15 179.62 1f4i h GLU 7 N 0.65 0.00 0.00 2.37 4.11 -1.58 -1.24 114.58 118.89 1f4i h GLU 7 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1f4i h GLU 7 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1f4i h GLU 7 CO 0.05 0.00 -0.16 -0.09 0.07 0.00 0.00 179.01 178.87 1f4i h ARG 8 N 0.00 0.00 -0.52 1.06 2.43 -1.42 -2.37 114.38 113.56 1f4i h ARG 8 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1f4i h ARG 8 Cb 0.48 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 1f4i h ARG 8 CO 0.00 0.43 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.72 1f4i h LEU 9 N -1.00 -0.42 -1.13 3.80 3.38 -0.81 -0.54 115.31 118.58 1f4i h LEU 9 Ca -0.03 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1f4i h LEU 9 Cb 0.52 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1f4i h LEU 9 CO -0.02 -0.15 -0.01 0.11 0.09 0.00 0.00 178.44 178.46 1f4i h LYS 10 N 0.02 0.60 0.00 1.13 1.57 -1.36 -2.69 116.57 115.85 1f4i h LYS 10 Ca 0.25 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1f4i h LYS 10 Cb 0.39 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1f4i h LYS 10 CO -0.51 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1f4i h ALA 11 N 1.43 1.00 0.00 3.86 0.00 -0.55 -0.88 119.26 124.12 1f4i h ALA 11 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1f4i h ALA 11 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 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 -2.97 0.00 0.00 0.00 4.32 -0.95 -4.82 117.00 112.59 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 0.24 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1f4i n GLY 13 N 0.59 1.53 0.00 -0.72 0.00 -0.42 -5.10 105.19 101.07 1f4i n GLY 13 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.41 0.00 -3.62 1.61 3.72 -0.69 -5.08 117.46 111.99 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 -0.07 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 3.84 0.75 0.60 -1.08 2.12 -1.26 -4.83 118.70 118.84 1f4i s GLU 15 Ca 0.00 0.79 0.29 0.00 0.36 0.00 0.00 54.97 56.41 1f4i s GLU 15 Cb 0.00 0.37 1.22 0.00 0.26 0.00 0.00 34.13 35.97 1f4i s GLU 15 CO 0.00 -0.11 1.58 1.49 -0.54 0.00 0.00 175.26 177.68 1f4i h GLU 16 N 4.51 0.00 0.02 4.30 4.81 -1.95 0.13 114.58 126.40 1f4i h GLU 16 Ca -0.28 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 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 0.00 179.01 179.14 1f4i h SER 17 N 0.00 -0.03 0.62 1.04 0.02 -1.99 -1.22 113.55 111.99 1f4i h SER 17 Ca 0.40 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1f4i h SER 17 Cb 2.21 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.76 1f4i h SER 17 CO -0.00 0.75 -0.06 0.17 -1.14 0.00 0.00 176.83 176.54 1f4i h LEU 18 N -0.97 0.00 0.32 5.07 8.10 -1.47 -2.19 115.31 124.17 1f4i h LEU 18 Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1f4i h LEU 18 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1f4i h LEU 18 CO 0.01 0.06 -0.15 0.58 -4.11 0.00 0.00 178.44 174.83 1f4i h VAL 19 N 0.00 0.31 -0.03 0.15 2.07 -1.22 -1.14 116.25 116.40 1f4i h VAL 19 Ca -0.00 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1f4i h VAL 19 Cb 0.39 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1f4i h VAL 19 CO 0.01 0.08 -0.12 0.40 0.02 0.00 0.00 177.57 177.95 1f4i h ILE 20 N -1.03 0.69 0.00 4.57 2.04 -1.09 0.12 117.51 122.81 1f4i h ILE 20 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1f4i h ILE 20 Cb 0.45 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1f4i h ILE 20 CO 0.07 0.00 -0.16 1.56 0.00 0.00 0.00 178.15 179.63 1f4i h GLN 21 N -0.19 0.00 0.00 2.37 4.20 -1.52 0.43 115.11 120.40 1f4i h GLN 21 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1f4i h GLN 21 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1f4i h GLN 21 CO -0.14 0.16 -0.11 0.00 -0.67 0.00 0.00 178.83 178.06 1f4i h ALA 22 N 1.84 0.93 0.00 3.87 0.00 -0.24 -2.18 119.26 123.48 1f4i h ALA 22 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1f4i h ALA 22 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1f4i h ALA 22 CO 0.02 0.00 -2.13 0.98 0.00 0.00 0.00 179.25 178.12 1f4i n TYR 23 N -2.35 0.00 0.00 0.00 9.36 0.32 -3.90 117.16 120.60 1f4i n TYR 23 Ca 0.05 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.05 1f4i n TYR 23 Cb 0.45 -0.80 -0.14 0.00 -0.63 0.00 0.00 39.34 38.22 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 0.45 0.00 2.98 -1.00 -0.28 0.39 116.94 119.48 1f4i h PHE 24 Ca -0.42 -0.33 -0.07 0.00 2.81 0.00 0.00 57.97 59.97 1f4i h PHE 24 Cb 1.93 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 41.46 1f4i h PHE 24 CO 0.00 1.65 -0.32 0.00 -1.61 0.00 0.00 178.31 178.03 1f4i h ALA 25 N -0.03 1.06 0.00 2.45 0.00 -1.58 -2.24 119.26 118.92 1f4i h ALA 25 Ca -0.36 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1f4i h ALA 25 Cb 1.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1f4i h ALA 25 CO 0.06 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1f4i n GLU 27 N -1.05 -1.82 -4.36 0.00 2.13 -0.84 -3.78 120.64 110.93 1f4i n GLU 27 Ca 0.20 0.80 -0.38 0.00 0.66 0.00 0.00 57.16 58.44 1f4i n GLU 27 Cb 0.12 -5.16 -0.08 0.00 0.27 0.00 0.00 31.44 26.59 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 -2.82 -0.78 0.00 5.31 4.01 0.14 -4.91 118.16 119.10 1f4i n LYS 28 Ca -0.05 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1f4i n LYS 28 Cb 0.59 -4.20 0.00 0.00 -0.51 0.00 0.00 35.03 30.91 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 -2.42 0.00 0.00 4.39 2.85 -1.24 -5.07 115.26 113.77 1f4i n ASN 29 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1f4i n ASN 29 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 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 -0.58 -1.26 -4.73 120.64 115.56 1f4i n GLU 30 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1f4i n GLU 30 Cb 0.00 0.00 0.85 0.00 -0.57 0.00 0.00 31.44 31.72 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1f4i h ASN 31 N 0.00 0.00 0.06 1.62 -0.73 -1.99 -1.65 115.58 112.89 1f4i h ASN 31 Ca 0.00 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 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 0.06 -0.82 0.25 -0.37 0.00 0.00 177.43 176.56 1f4i h LEU 32 N 0.00 0.61 -0.37 0.34 7.12 -1.93 -2.61 115.31 118.47 1f4i h LEU 32 Ca -0.00 -0.83 -0.02 0.00 0.13 0.00 0.00 57.88 57.16 1f4i h LEU 32 Cb 0.22 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 1f4i h LEU 32 CO 0.01 1.37 0.14 0.00 -0.13 0.00 0.00 178.44 179.82 1f4i h ALA 33 N 0.25 0.48 -0.27 1.25 0.00 -1.56 0.72 119.26 120.13 1f4i h ALA 33 Ca -0.12 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1f4i h ALA 33 Cb 1.55 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1f4i h ALA 33 CO 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 1f4i h ALA 34 N 0.98 0.23 -0.76 0.00 0.00 -1.44 -1.38 119.26 116.89 1f4i h ALA 34 Ca 0.12 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1f4i h ALA 34 Cb 0.20 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1f4i h ALA 34 CO -0.01 -0.43 0.50 -0.97 0.00 0.00 0.00 179.25 178.35 1f4i h ASN 35 N 0.06 0.55 0.33 0.00 -0.00 -0.94 0.04 115.58 115.63 1f4i h ASN 35 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 56.30 56.43 1f4i h ASN 35 Cb 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1f4i h ASN 35 CO -0.24 0.31 -0.16 0.15 -0.00 0.00 0.00 177.43 177.49 1f4i h PHE 36 N 0.60 -0.42 0.00 0.67 3.04 0.13 -0.59 116.94 120.37 1f4i h PHE 36 Ca 0.36 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.30 1f4i h PHE 36 Cb 0.59 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1f4i h PHE 36 CO -0.00 -0.17 0.00 1.28 -2.02 0.00 0.00 178.31 177.40 1f4i n LEU 37 N -5.22 0.68 -0.02 0.59 4.32 -0.62 -0.88 117.00 115.85 1f4i n LEU 37 Ca -0.10 0.60 -0.01 0.00 -0.02 0.00 0.00 56.01 56.49 1f4i n LEU 37 Cb 0.24 -0.44 -0.12 0.00 -1.62 0.00 0.00 43.42 41.47 1f4i n LEU 37 CO 0.34 -0.32 -0.65 0.18 -1.22 0.00 0.00 177.39 175.72 1f4i n LEU 38 N -2.18 0.43 -1.60 2.23 4.77 -0.08 -4.11 117.00 116.47 1f4i n LEU 38 Ca 0.04 0.19 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1f4i n LEU 38 Cb 0.33 0.18 0.31 0.00 -2.33 0.00 0.00 43.42 41.91 1f4i n LEU 38 CO 0.25 0.22 0.88 -0.24 -1.33 0.00 0.00 177.39 177.17 1f4i n SER 39 N -2.71 4.56 -3.70 -1.43 2.88 -0.23 -5.02 113.62 107.97 1f4i n SER 39 Ca -0.15 -3.16 -0.38 0.00 -1.33 0.00 0.00 58.87 53.85 1f4i n SER 39 Cb 0.88 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.18 0.00 -1.75 -1.46 6.02 -0.06 -4.76 117.38 115.19 1f4i n GLN 40 Ca 0.32 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.89 1f4i n GLN 40 Cb 1.18 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 31.17 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 6.93 6.38 -0.38 1.08 0.01 -1.26 -4.90 114.94 122.80 1f4i s ASN 41 Ca 1.10 2.89 0.05 0.00 -0.71 0.00 0.00 52.86 56.19 1f4i s ASN 41 Cb -1.09 -2.61 0.32 0.00 0.41 0.00 0.00 41.25 38.28 1f4i s ASN 41 CO 0.44 -0.95 1.28 0.33 -1.51 0.00 0.00 177.10 176.69 1f4i n PHE 42 N 3.40 -1.47 -2.30 2.20 7.35 -1.26 -5.15 117.46 120.23 1f4i n PHE 42 Ca 0.13 -1.33 0.00 0.00 -0.76 0.00 0.00 57.45 55.50 1f4i n PHE 42 Cb 0.36 1.37 0.00 0.00 0.35 0.00 0.00 39.48 41.56 1f4i n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1f4i n ASP 43 N 0.46 0.00 -2.85 -2.13 -0.08 -1.26 -5.03 116.55 105.66 1f4i n ASP 43 Ca -0.01 -0.09 -0.38 0.00 -1.51 0.00 0.00 54.79 52.80 1f4i n ASP 43 Cb 0.73 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.22 1f4i n ASP 43 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1f4i n ASP 44 N -0.08 7.38 0.00 1.67 9.92 -1.26 -5.31 116.55 128.87 1f4i n ASP 44 Ca 0.00 -3.74 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 1f4i n ASP 44 Cb 0.00 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 1f4i n ASP 44 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49