#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 0.29 3.69 4.07 -1.26 -4.94 120.64 122.48 1f4i n GLU 2 Ca 0.00 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.28 1f4i n GLU 2 Cb 0.00 -1.97 0.95 0.00 -0.06 0.00 0.00 31.44 30.35 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 2.61 0.00 -0.34 5.31 2.10 -2.05 -1.32 116.57 122.87 1f4i h LYS 3 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 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 -0.10 0.93 -2.00 0.00 0.00 179.45 178.28 1f4i h GLU 4 N 0.00 0.68 0.00 0.07 3.07 -2.02 -2.50 114.58 113.88 1f4i h GLU 4 Ca 0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1f4i h GLU 4 Cb 0.18 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1f4i h GLU 4 CO 0.00 0.85 0.00 0.00 -1.40 0.00 0.00 179.01 178.46 1f4i h ALA 5 N 0.80 1.00 -0.30 3.43 0.00 -1.67 -3.28 119.26 119.25 1f4i h ALA 5 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1f4i h ALA 5 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f4i h ALA 5 CO 0.04 0.00 -0.32 0.82 0.00 0.00 0.00 179.25 179.79 1f4i h ILE 6 N 0.00 1.30 0.00 0.00 2.04 -1.29 0.13 117.51 119.69 1f4i h ILE 6 Ca 0.00 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1f4i h ILE 6 Cb 0.69 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1f4i h ILE 6 CO 0.00 0.48 0.00 1.05 0.00 0.00 0.00 178.15 179.68 1f4i h GLU 7 N 0.49 0.00 0.00 2.37 4.11 -1.62 -0.56 114.58 119.37 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 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1f4i h GLU 7 CO 0.08 0.00 -0.15 -0.09 0.07 0.00 0.00 179.01 178.91 1f4i h ARG 8 N 0.00 0.00 -0.61 1.06 2.43 -1.44 -2.31 114.38 113.52 1f4i h ARG 8 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1f4i h ARG 8 Cb 0.41 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.84 1f4i h ARG 8 CO 0.00 0.27 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.49 1f4i h LEU 9 N -1.00 -0.62 -0.99 3.80 3.38 -0.78 -0.13 115.31 118.97 1f4i h LEU 9 Ca -0.02 0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1f4i h LEU 9 Cb 0.37 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1f4i h LEU 9 CO -0.01 -0.21 0.00 0.11 0.09 0.00 0.00 178.44 178.42 1f4i h LYS 10 N -0.02 0.73 0.00 1.13 1.57 -1.24 -2.81 116.57 115.93 1f4i h LYS 10 Ca 0.29 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1f4i h LYS 10 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1f4i h LYS 10 CO -0.63 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1f4i h ALA 11 N 1.32 1.00 0.00 3.86 0.00 -0.44 -0.92 119.26 124.08 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 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1f4i h ALA 11 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1f4i n LEU 12 N -3.02 0.00 0.00 0.00 4.32 -0.85 -4.81 117.00 112.63 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 0.22 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 0.52 1.46 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 -1.39 0.00 -3.62 1.61 3.72 -0.62 -5.08 117.46 112.09 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 0.00 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 3.88 0.86 0.58 -1.08 2.56 -1.26 -4.83 118.70 119.41 1f4i s GLU 15 Ca 0.00 0.90 0.36 0.00 0.00 0.00 0.00 54.97 56.23 1f4i s GLU 15 Cb 0.00 0.42 1.38 0.00 2.00 0.00 0.00 34.13 37.93 1f4i s GLU 15 CO 0.00 -0.13 1.60 1.49 -0.56 0.00 0.00 175.26 177.66 1f4i h GLU 16 N 4.74 0.00 0.00 4.30 4.22 -1.95 0.08 114.58 125.97 1f4i h GLU 16 Ca -0.29 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 1f4i h GLU 16 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1f4i h GLU 16 CO 0.09 0.00 -0.00 0.77 -2.18 0.00 0.00 179.01 177.69 1f4i h SER 17 N 0.00 -0.00 0.79 1.04 0.02 -1.98 -0.53 113.55 112.89 1f4i h SER 17 Ca 0.57 -0.92 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1f4i h SER 17 Cb 2.68 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 65.22 1f4i h SER 17 CO -0.01 0.95 -0.02 0.17 -1.14 0.00 0.00 176.83 176.78 1f4i h LEU 18 N -0.98 0.00 0.10 5.07 -0.00 -1.59 -2.00 115.31 115.91 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 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1f4i h LEU 18 CO 0.00 0.02 -0.05 0.58 -0.00 0.00 0.00 178.44 178.99 1f4i h VAL 19 N 0.00 0.70 -0.59 0.15 2.07 -1.10 -0.95 116.25 116.54 1f4i h VAL 19 Ca -0.00 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1f4i h VAL 19 Cb 0.42 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1f4i h VAL 19 CO 0.00 0.21 0.30 0.40 0.02 0.00 0.00 177.57 178.50 1f4i h ILE 20 N -0.96 1.20 0.00 4.57 1.08 -1.04 0.10 117.51 122.46 1f4i h ILE 20 Ca -0.01 -0.55 -0.09 0.00 -0.39 0.00 0.00 64.86 63.81 1f4i h ILE 20 Cb 0.46 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1f4i h ILE 20 CO 0.02 0.23 -0.44 -0.61 -0.69 0.00 0.00 178.15 176.66 1f4i h GLN 21 N 0.79 0.00 0.00 2.37 -0.00 -1.49 0.74 115.11 117.52 1f4i h GLN 21 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1f4i h GLN 21 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.57 1f4i h GLN 21 CO -0.03 0.44 0.00 0.00 0.00 0.00 0.00 178.83 179.24 1f4i h ALA 22 N 1.56 1.00 0.08 3.38 0.00 -0.63 -1.55 119.26 123.11 1f4i h ALA 22 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 1f4i h ALA 22 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1f4i h ALA 22 CO 0.06 0.00 -2.15 0.98 0.00 0.00 0.00 179.25 178.14 1f4i n TYR 23 N -2.79 0.84 0.03 0.00 9.36 0.31 -3.57 117.16 121.33 1f4i n TYR 23 Ca 0.04 0.18 -0.19 0.00 3.32 0.00 0.00 57.90 61.25 1f4i n TYR 23 Cb 0.47 -1.11 -0.10 0.00 -0.63 0.00 0.00 39.34 37.97 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 0.02 1.01 0.00 2.98 0.04 -0.94 0.28 116.94 120.34 1f4i h PHE 24 Ca -0.48 -0.53 -0.06 0.00 2.80 0.00 0.00 57.97 59.70 1f4i h PHE 24 Cb 1.98 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 40.00 1f4i h PHE 24 CO 0.06 1.37 -0.29 0.00 -0.60 0.00 0.00 178.31 178.85 1f4i h ALA 25 N 0.42 1.15 -0.06 2.45 0.00 -1.50 -1.84 119.26 119.88 1f4i h ALA 25 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1f4i h ALA 25 Cb 1.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1f4i h ALA 25 CO 0.19 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1f4i n GLU 27 N -0.38 -1.95 -3.60 0.00 0.00 -0.69 -3.88 120.64 110.14 1f4i n GLU 27 Ca 0.14 1.00 -0.16 0.00 0.00 0.00 0.00 57.16 58.14 1f4i n GLU 27 Cb 0.15 -5.69 0.01 0.00 0.00 0.00 0.00 31.44 25.90 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1f4i n LYS 28 N -2.91 -0.68 0.00 5.31 4.01 0.96 -4.93 118.16 119.92 1f4i n LYS 28 Ca -0.06 -0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1f4i n LYS 28 Cb 0.59 -0.54 0.00 0.00 -0.51 0.00 0.00 35.03 34.57 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 -0.42 0.00 0.00 4.39 4.05 -1.25 -5.08 115.26 116.95 1f4i n ASN 29 Ca -0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 1f4i n ASN 29 Cb 0.24 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.25 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1f4i n GLU 30 N 0.00 0.00 0.30 1.20 1.02 -1.26 -4.72 120.64 117.18 1f4i n GLU 30 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.32 1f4i n GLU 30 Cb 0.00 0.00 0.95 0.00 -0.02 0.00 0.00 31.44 32.37 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 0.15 1.62 4.21 -2.00 -1.69 115.58 117.87 1f4i h ASN 31 Ca 0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 1f4i h ASN 31 Cb 0.00 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1f4i h ASN 31 CO 0.00 0.03 -0.96 0.25 -1.29 0.00 0.00 177.43 175.46 1f4i h LEU 32 N 0.00 0.58 -0.24 1.61 7.12 -1.93 -2.62 115.31 119.83 1f4i h LEU 32 Ca -0.00 -0.92 -0.01 0.00 0.13 0.00 0.00 57.88 57.08 1f4i h LEU 32 Cb 0.17 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1f4i h LEU 32 CO 0.00 1.46 0.13 0.00 -0.13 0.00 0.00 178.44 179.90 1f4i h ALA 33 N 0.13 0.31 -0.22 1.25 0.00 -1.65 0.11 119.26 119.19 1f4i h ALA 33 Ca -0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1f4i h ALA 33 Cb 1.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1f4i h ALA 33 CO 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1f4i h ALA 34 N 1.01 0.19 -0.95 0.00 0.00 -1.45 -1.48 119.26 116.59 1f4i h ALA 34 Ca 0.09 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1f4i h ALA 34 Cb 0.08 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1f4i h ALA 34 CO -0.01 -0.42 0.60 -0.97 0.00 0.00 0.00 179.25 178.45 1f4i h ASN 35 N 0.07 0.85 0.51 0.00 -0.73 -1.04 -0.77 115.58 114.46 1f4i h ASN 35 Ca 0.10 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1f4i h ASN 35 Cb 0.13 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 1f4i h ASN 35 CO -0.17 0.47 -0.34 0.15 -0.37 0.00 0.00 177.43 177.17 1f4i h PHE 36 N 0.92 -0.90 0.00 0.67 3.04 0.08 0.11 116.94 120.87 1f4i h PHE 36 Ca 0.45 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.32 1f4i h PHE 36 Cb 0.47 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1f4i h PHE 36 CO -0.00 -0.51 -0.39 -0.07 -2.02 0.00 0.00 178.31 175.32 1f4i h LEU 37 N -0.81 0.00 0.00 0.59 3.38 -0.73 -1.33 115.31 116.41 1f4i h LEU 37 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1f4i h LEU 37 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1f4i h LEU 37 CO 0.04 0.39 -1.17 -0.07 0.09 0.00 0.00 178.44 177.73 1f4i h LEU 38 N 0.00 0.00 0.00 1.67 3.38 -1.13 -3.27 115.31 115.96 1f4i h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f4i h LEU 38 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1f4i h LEU 38 CO 0.05 0.61 -0.16 0.28 0.09 0.00 0.00 178.44 179.32 1f4i h SER 39 N 0.00 0.00 -2.08 -0.43 0.02 -0.35 -3.45 113.55 107.25 1f4i h SER 39 Ca -0.12 -0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.23 1f4i h SER 39 Cb 1.57 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.12 1f4i h SER 39 CO 0.06 0.01 1.33 0.00 -1.14 0.00 0.00 176.83 177.10 1f4i n GLN 40 N -2.56 2.31 -2.00 3.45 6.02 -0.54 -4.86 117.38 119.19 1f4i n GLN 40 Ca 0.04 0.77 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 1f4i n GLN 40 Cb 0.47 -3.02 -0.03 0.00 1.02 0.00 0.00 30.24 28.69 1f4i n GLN 40 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1f4i s ASN 41 N 6.13 6.67 -0.26 1.08 4.22 -1.26 -4.96 114.94 126.55 1f4i s ASN 41 Ca 0.96 2.26 -0.01 0.00 -2.14 0.00 0.00 52.86 53.93 1f4i s ASN 41 Cb -0.46 -2.54 0.15 0.00 1.28 0.00 0.00 41.25 39.68 1f4i s ASN 41 CO 0.41 -0.91 0.42 0.12 -2.04 0.00 0.00 177.10 175.10 1f4i s PHE 42 N 3.82 -0.99 0.00 1.54 5.36 -1.26 -5.13 117.98 121.31 1f4i s PHE 42 Ca 0.73 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 1f4i s PHE 42 Cb -0.34 0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.42 1f4i s PHE 42 CO 0.30 -0.80 0.00 -0.25 -1.46 0.00 0.00 175.22 173.01 1f4i n ASP 43 N 5.37 0.00 -3.98 6.13 9.92 -1.26 -4.84 116.55 127.89 1f4i n ASP 43 Ca -0.02 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.91 1f4i n ASP 43 Cb 0.50 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1f4i n ASP 43 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1f4i n ASP 44 N -2.85 -2.68 0.00 -2.24 9.92 -1.26 -5.26 116.55 112.19 1f4i n ASP 44 Ca 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 1f4i n ASP 44 Cb 0.00 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 39.37 1f4i n ASP 44 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71