#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 0.32 0.15 -1.09 0.00 -1.26 -4.37 120.64 114.39 1f4i n GLU 2 Ca 0.00 -0.04 0.17 0.00 0.00 0.00 0.00 57.16 57.29 1f4i n GLU 2 Cb 0.00 -1.57 0.57 0.00 0.00 0.00 0.00 31.44 30.44 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1f4i h LYS 3 N 0.00 0.00 -0.08 5.31 2.10 -2.05 -0.13 116.57 121.71 1f4i h LYS 3 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1f4i h LYS 3 Cb 0.75 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1f4i h LYS 3 CO 0.00 0.00 0.02 1.49 -2.00 0.00 0.00 179.45 178.96 1f4i h GLU 4 N 0.00 0.13 0.00 0.07 4.22 -2.02 -2.07 114.58 114.91 1f4i h GLU 4 Ca 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1f4i h GLU 4 Cb 1.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1f4i h GLU 4 CO -0.00 0.30 0.00 0.00 -2.18 0.00 0.00 179.01 177.13 1f4i h ALA 5 N 0.82 1.00 -0.27 2.92 0.00 -1.35 -3.27 119.26 119.11 1f4i h ALA 5 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1f4i h ALA 5 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1f4i h ALA 5 CO -0.00 0.00 -0.43 0.82 0.00 0.00 0.00 179.25 179.64 1f4i h ILE 6 N 0.00 1.29 0.00 0.00 2.04 -1.02 0.85 117.51 120.67 1f4i h ILE 6 Ca 0.00 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1f4i h ILE 6 Cb 0.67 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1f4i h ILE 6 CO 0.00 0.52 0.00 1.05 0.00 0.00 0.00 178.15 179.72 1f4i h GLU 7 N 0.52 0.00 0.00 2.37 4.11 -1.52 -1.32 114.58 118.74 1f4i h GLU 7 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1f4i h GLU 7 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1f4i h GLU 7 CO 0.10 0.00 -0.21 -0.09 0.07 0.00 0.00 179.01 178.88 1f4i h ARG 8 N 0.00 0.00 -0.48 1.06 2.43 -1.49 -2.15 114.38 113.75 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 0.44 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.90 1f4i h ARG 8 CO 0.00 0.45 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.68 1f4i h LEU 9 N -1.00 -0.55 -1.13 3.80 3.38 -0.87 -0.59 115.31 118.35 1f4i h LEU 9 Ca -0.04 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1f4i h LEU 9 Cb 0.55 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1f4i h LEU 9 CO -0.02 -0.19 0.07 0.11 0.09 0.00 0.00 178.44 178.50 1f4i h LYS 10 N -0.04 0.69 0.00 1.13 1.57 -1.37 -2.58 116.57 115.97 1f4i h LYS 10 Ca 0.23 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1f4i h LYS 10 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1f4i h LYS 10 CO -0.52 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1f4i h ALA 11 N 1.42 1.00 0.00 3.86 0.00 -0.42 -0.80 119.26 124.32 1f4i h ALA 11 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1f4i h ALA 11 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1f4i h ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1f4i n LEU 12 N -3.05 0.00 0.00 0.00 4.32 -0.87 -4.81 117.00 112.59 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 0.24 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1f4i n GLY 13 N 0.55 1.37 0.00 -0.72 0.00 -0.40 -5.10 105.19 100.88 1f4i n GLY 13 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.55 0.00 -3.61 1.61 3.72 -0.61 -5.07 117.46 111.95 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 3.89 0.73 0.61 -1.08 2.56 -1.26 -4.81 118.70 119.34 1f4i s GLU 15 Ca 0.00 0.70 0.26 0.00 0.00 0.00 0.00 54.97 55.93 1f4i s GLU 15 Cb 0.00 0.36 1.13 0.00 2.00 0.00 0.00 34.13 37.61 1f4i s GLU 15 CO 0.00 -0.12 1.55 1.49 -0.56 0.00 0.00 175.26 177.62 1f4i h GLU 16 N 4.27 0.00 0.00 4.30 4.81 -1.95 0.11 114.58 126.13 1f4i h GLU 16 Ca -0.28 0.00 -0.01 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 0.13 0.00 -0.04 0.77 -0.73 0.00 0.00 179.01 179.15 1f4i h SER 17 N 0.00 0.00 0.72 1.04 0.02 -1.98 -1.10 113.55 112.24 1f4i h SER 17 Ca 0.32 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1f4i h SER 17 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1f4i h SER 17 CO -0.00 0.87 0.00 0.17 -1.14 0.00 0.00 176.83 176.73 1f4i h LEU 18 N -1.00 0.00 0.05 5.07 8.10 -1.45 -2.08 115.31 124.00 1f4i h LEU 18 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1f4i h LEU 18 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.94 1f4i h LEU 18 CO -0.01 0.00 -0.02 0.58 -4.11 0.00 0.00 178.44 174.88 1f4i h VAL 19 N 0.00 0.28 -0.12 0.15 2.07 -0.94 -2.38 116.25 115.32 1f4i h VAL 19 Ca 0.00 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1f4i h VAL 19 Cb 0.36 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1f4i h VAL 19 CO 0.00 0.09 -0.02 0.40 0.02 0.00 0.00 177.57 178.06 1f4i h ILE 20 N -1.01 0.89 0.00 4.57 1.08 -1.11 0.22 117.51 122.16 1f4i h ILE 20 Ca -0.01 -0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.38 1f4i h ILE 20 Cb 0.20 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1f4i h ILE 20 CO 0.01 0.00 -0.37 -0.61 -0.69 0.00 0.00 178.15 176.49 1f4i h GLN 21 N 0.01 0.00 0.00 2.37 4.15 -1.55 0.21 115.11 120.30 1f4i h GLN 21 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1f4i h GLN 21 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1f4i h GLN 21 CO -0.12 0.37 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 1f4i h ALA 22 N 1.63 1.00 0.00 3.38 0.00 -0.81 -1.15 119.26 123.31 1f4i h ALA 22 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1f4i h ALA 22 Cb 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1f4i h ALA 22 CO 0.05 0.00 -2.13 0.98 0.00 0.00 0.00 179.25 178.15 1f4i n TYR 23 N -2.92 0.20 0.03 0.00 9.36 0.72 -3.60 117.16 120.95 1f4i n TYR 23 Ca 0.03 0.07 -0.21 0.00 3.32 0.00 0.00 57.90 61.11 1f4i n TYR 23 Cb 0.45 -0.92 -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 0.54 0.00 2.98 0.04 -0.64 0.46 116.94 120.33 1f4i h PHE 24 Ca -0.36 -0.40 -0.06 0.00 2.80 0.00 0.00 57.97 59.95 1f4i h PHE 24 Cb 1.88 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.00 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 0.17 1.16 -0.06 2.45 0.00 -1.42 -1.93 119.26 119.63 1f4i h ALA 25 Ca -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1f4i h ALA 25 Cb 2.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1f4i h ALA 25 CO 0.13 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1f4i n GLU 27 N -0.37 -1.83 -3.87 0.00 2.13 -0.72 -3.91 120.64 112.08 1f4i n GLU 27 Ca 0.14 0.87 -0.22 0.00 0.66 0.00 0.00 57.16 58.61 1f4i n GLU 27 Cb 0.16 -5.31 0.01 0.00 0.27 0.00 0.00 31.44 26.56 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 -3.19 -0.66 0.00 5.31 4.76 0.16 -4.92 118.16 119.62 1f4i n LYS 28 Ca -0.07 -0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1f4i n LYS 28 Cb 0.60 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 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 -0.49 0.00 0.00 4.39 2.85 -1.25 -5.08 115.26 115.67 1f4i n ASN 29 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1f4i n ASN 29 Cb 0.26 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.28 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 0.32 1.20 1.02 -1.26 -4.76 120.64 117.16 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 1.10 0.00 -0.02 0.00 0.00 31.44 32.52 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 0.02 1.62 -0.26 -2.00 -1.58 115.58 113.38 1f4i h ASN 31 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1f4i h ASN 31 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1f4i h ASN 31 CO 0.00 0.00 -0.21 0.25 -1.06 0.00 0.00 177.43 176.41 1f4i h LEU 32 N 0.00 0.15 -0.45 1.61 7.12 -1.93 -2.28 115.31 119.52 1f4i h LEU 32 Ca -0.00 -0.90 -0.00 0.00 0.13 0.00 0.00 57.88 57.11 1f4i h LEU 32 Cb 0.03 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 1f4i h LEU 32 CO 0.00 1.03 0.28 0.00 -0.13 0.00 0.00 178.44 179.62 1f4i h ALA 33 N 0.12 0.58 -0.30 1.25 0.00 -1.62 0.52 119.26 119.80 1f4i h ALA 33 Ca -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1f4i h ALA 33 Cb 1.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1f4i h ALA 33 CO 0.04 0.06 0.09 0.00 0.00 0.00 0.00 179.25 179.44 1f4i h ALA 34 N 1.13 0.33 -0.83 0.00 0.00 -1.43 -1.75 119.26 116.70 1f4i h ALA 34 Ca 0.16 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1f4i h ALA 34 Cb -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1f4i h ALA 34 CO -0.03 -0.32 0.54 -0.97 0.00 0.00 0.00 179.25 178.47 1f4i h ASN 35 N 0.21 0.67 0.42 0.00 -0.73 -0.70 -0.67 115.58 114.79 1f4i h ASN 35 Ca 0.14 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1f4i h ASN 35 Cb 0.12 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1f4i h ASN 35 CO -0.16 0.39 -0.22 0.15 -0.37 0.00 0.00 177.43 177.22 1f4i h PHE 36 N 0.74 -0.58 0.00 0.67 3.04 -0.09 0.13 116.94 120.85 1f4i h PHE 36 Ca 0.39 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.22 1f4i h PHE 36 Cb 0.51 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 1f4i h PHE 36 CO -0.00 -0.35 -0.51 -0.07 -2.02 0.00 0.00 178.31 175.36 1f4i h LEU 37 N -0.59 0.00 0.00 0.59 4.07 -0.73 -2.45 115.31 116.19 1f4i h LEU 37 Ca -0.05 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.76 1f4i h LEU 37 Cb 0.47 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1f4i h LEU 37 CO 0.08 0.51 -1.01 -0.07 -1.08 0.00 0.00 178.44 176.87 1f4i h LEU 38 N 0.00 0.00 -0.75 1.67 3.38 -1.13 -3.22 115.31 115.26 1f4i h LEU 38 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1f4i h LEU 38 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1f4i h LEU 38 CO 0.07 0.59 -0.17 0.28 0.09 0.00 0.00 178.44 179.29 1f4i h SER 39 N 0.00 0.00 -1.09 -0.43 0.02 -0.70 -3.36 113.55 107.98 1f4i h SER 39 Ca -0.09 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.15 1f4i h SER 39 Cb 1.53 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.96 1f4i h SER 39 CO 0.06 0.17 2.15 0.00 -1.14 0.00 0.00 176.83 178.08 1f4i n GLN 40 N -3.23 3.23 -1.62 3.45 6.02 -0.95 -4.97 117.38 119.31 1f4i n GLN 40 Ca 0.01 -3.33 -0.56 0.00 -0.01 0.00 0.00 57.00 53.12 1f4i n GLN 40 Cb 0.48 -3.28 -0.07 0.00 1.02 0.00 0.00 30.24 28.39 1f4i n GLN 40 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1f4i n ASN 41 N 6.75 1.51 0.00 1.08 0.23 -1.26 -4.91 115.26 118.65 1f4i n ASN 41 Ca 0.45 1.12 0.00 0.00 -0.53 0.00 0.00 54.58 55.63 1f4i n ASN 41 Cb 0.43 -1.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.02 1f4i n ASN 41 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1f4i n PHE 42 N 3.18 0.00 0.00 -2.53 7.35 -1.26 -5.08 117.46 119.12 1f4i n PHE 42 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 1f4i n PHE 42 Cb 0.14 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.97 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 0.00 0.00 -3.15 -2.13 2.03 -1.26 -5.10 116.55 106.94 1f4i n ASP 43 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 1f4i n ASP 43 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1f4i n ASP 43 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1f4i s ASP 44 N -4.00 -0.60 0.00 1.67 2.15 -1.26 -5.36 116.67 109.28 1f4i s ASP 44 Ca 0.00 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.20 1f4i s ASP 44 Cb 0.00 1.44 0.00 0.00 -0.30 0.00 0.00 42.92 44.06 1f4i s ASP 44 CO 0.00 -0.11 0.00 1.21 -0.17 0.00 0.00 175.17 176.10