#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 2.74 0.27 3.69 -0.00 -1.26 -4.74 120.64 121.34 1f4i n GLU 2 Ca 0.00 -1.99 0.16 0.00 -0.00 0.00 0.00 57.16 55.33 1f4i n GLU 2 Cb 0.00 -1.26 0.78 0.00 -0.00 0.00 0.00 31.44 30.96 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 0.96 0.00 -0.37 3.44 5.09 -2.05 0.24 116.57 123.88 1f4i h LYS 3 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.59 1f4i h LYS 3 Cb 0.76 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.08 1f4i h LYS 3 CO 0.03 0.00 -0.36 1.49 -2.09 0.00 0.00 179.45 178.52 1f4i h GLU 4 N 0.00 0.87 0.00 0.07 4.81 -2.02 -1.94 114.58 116.37 1f4i h GLU 4 Ca 0.06 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1f4i h GLU 4 Cb 0.82 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1f4i h GLU 4 CO -0.00 1.08 0.00 0.00 -0.73 0.00 0.00 179.01 179.36 1f4i h ALA 5 N 0.87 1.00 0.00 2.92 0.00 -1.33 -3.28 119.26 119.44 1f4i h ALA 5 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1f4i h ALA 5 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1f4i h ALA 5 CO 0.09 0.00 -0.20 0.82 0.00 0.00 0.00 179.25 179.95 1f4i h ILE 6 N 0.00 0.41 0.00 0.00 2.04 -1.13 0.16 117.51 118.98 1f4i h ILE 6 Ca 0.00 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1f4i h ILE 6 Cb 0.65 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1f4i h ILE 6 CO 0.00 0.20 -0.65 1.05 0.00 0.00 0.00 178.15 178.76 1f4i h GLU 7 N 0.00 0.00 0.00 2.37 4.11 -1.61 -2.81 114.58 116.64 1f4i h GLU 7 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1f4i h GLU 7 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1f4i h GLU 7 CO 0.03 0.00 -0.45 -0.09 0.07 0.00 0.00 179.01 178.57 1f4i h ARG 8 N 0.00 0.00 -0.41 1.06 2.43 -1.45 -2.03 114.38 113.98 1f4i h ARG 8 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1f4i h ARG 8 Cb 0.80 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 1f4i h ARG 8 CO 0.00 0.50 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.81 1f4i h LEU 9 N -1.00 -0.33 -1.24 3.80 3.38 -0.89 -0.24 115.31 118.78 1f4i h LEU 9 Ca -0.09 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1f4i h LEU 9 Cb 0.70 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1f4i h LEU 9 CO -0.05 -0.12 0.17 0.11 0.09 0.00 0.00 178.44 178.64 1f4i h LYS 10 N 0.02 0.70 0.00 1.13 1.57 -1.64 -2.72 116.57 115.63 1f4i h LYS 10 Ca 0.20 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1f4i h LYS 10 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1f4i h LYS 10 CO -0.40 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1f4i h ALA 11 N 1.51 1.00 0.00 3.86 0.00 -0.28 -0.48 119.26 124.86 1f4i h ALA 11 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1f4i h ALA 11 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f4i h ALA 11 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1f4i n LEU 12 N -2.99 0.00 0.00 0.00 4.32 -0.91 -4.81 117.00 112.61 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 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 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 0.55 1.62 0.00 -0.72 0.00 -0.28 -5.10 105.19 101.26 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 -1.37 0.00 -3.62 1.61 3.72 -0.67 -5.08 117.46 112.05 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 4.07 0.85 0.62 -1.08 2.56 -1.26 -4.84 118.70 119.62 1f4i s GLU 15 Ca 0.00 0.95 0.25 0.00 0.00 0.00 0.00 54.97 56.16 1f4i s GLU 15 Cb 0.00 0.41 1.34 0.00 2.00 0.00 0.00 34.13 37.89 1f4i s GLU 15 CO 0.00 -0.11 1.74 1.49 -0.56 0.00 0.00 175.26 177.82 1f4i h GLU 16 N 4.87 0.00 0.00 4.30 4.81 -1.96 0.20 114.58 126.81 1f4i h GLU 16 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 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 0.07 0.00 -0.05 0.77 -0.73 0.00 0.00 179.01 179.08 1f4i h SER 17 N 0.00 0.00 0.63 1.04 0.02 -1.97 -1.47 113.55 111.80 1f4i h SER 17 Ca 0.00 -0.70 -0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1f4i h SER 17 Cb 0.80 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 1f4i h SER 17 CO 0.00 0.88 -0.02 0.17 -1.14 0.00 0.00 176.83 176.72 1f4i h LEU 18 N -1.00 0.00 0.22 5.07 -0.00 -1.56 -2.23 115.31 115.82 1f4i h LEU 18 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1f4i h LEU 18 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1f4i h LEU 18 CO -0.01 0.02 -0.11 0.58 -0.00 0.00 0.00 178.44 178.93 1f4i h VAL 19 N 0.00 0.33 -0.07 0.15 2.07 -1.12 -1.77 116.25 115.84 1f4i h VAL 19 Ca -0.00 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1f4i h VAL 19 Cb 0.34 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1f4i h VAL 19 CO 0.00 0.09 -0.09 0.40 0.02 0.00 0.00 177.57 178.00 1f4i h ILE 20 N -1.02 0.75 0.00 4.57 1.08 -1.14 0.23 117.51 121.97 1f4i h ILE 20 Ca -0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1f4i h ILE 20 Cb 0.38 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1f4i h ILE 20 CO 0.05 0.00 -0.13 -0.61 -0.69 0.00 0.00 178.15 176.77 1f4i h GLN 21 N -0.12 0.00 0.00 2.37 4.15 -1.55 0.24 115.11 120.20 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 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1f4i h GLN 21 CO -0.14 0.13 -0.40 0.00 -1.93 0.00 0.00 178.83 176.49 1f4i h ALA 22 N 1.87 0.74 0.00 3.38 0.00 -0.37 -2.26 119.26 122.62 1f4i h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f4i h ALA 22 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1f4i h ALA 22 CO 0.02 0.00 -1.17 0.98 0.00 0.00 0.00 179.25 179.07 1f4i n TYR 23 N -2.22 0.00 -0.11 0.00 9.36 0.71 -3.81 117.16 121.08 1f4i n TYR 23 Ca 0.04 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.08 1f4i n TYR 23 Cb 0.44 -0.17 -0.13 0.00 -0.63 0.00 0.00 39.34 38.86 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 -1.67 0.14 0.21 2.98 3.72 0.77 0.26 117.46 123.87 1f4i n PHE 24 Ca 0.00 0.03 0.08 0.00 -0.05 0.00 0.00 57.45 57.51 1f4i n PHE 24 Cb 0.31 -1.02 0.46 0.00 -0.94 0.00 0.00 39.48 38.28 1f4i n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f4i h ALA 25 N 0.11 1.11 -0.09 4.37 0.00 -1.61 -2.10 119.26 121.05 1f4i h ALA 25 Ca -0.56 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1f4i h ALA 25 Cb 1.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1f4i h ALA 25 CO -0.06 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1f4i n GLU 27 N -0.24 -4.28 -3.69 0.00 2.13 -0.79 -3.75 120.64 110.02 1f4i n GLU 27 Ca 0.12 0.83 -0.21 0.00 0.66 0.00 0.00 57.16 58.56 1f4i n GLU 27 Cb 0.16 -5.76 -0.04 0.00 0.27 0.00 0.00 31.44 26.07 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 -3.71 -0.84 0.00 5.31 4.76 0.14 -4.89 118.16 118.93 1f4i n LYS 28 Ca -0.18 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1f4i n LYS 28 Cb 0.64 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1f4i n LYS 28 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1f4i n ASN 29 N -1.38 0.00 0.00 4.39 3.02 -1.25 -5.08 115.26 114.96 1f4i n ASN 29 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1f4i n ASN 29 Cb 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1f4i n ASN 29 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1f4i n GLU 30 N 0.00 0.00 0.30 3.52 0.28 -1.26 -4.92 120.64 118.56 1f4i n GLU 30 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.17 1f4i n GLU 30 Cb 0.00 0.00 0.95 0.00 1.43 0.00 0.00 31.44 33.82 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1f4i h ASN 31 N 0.00 0.00 0.04 -1.84 4.21 -1.99 -1.56 115.58 114.43 1f4i h ASN 31 Ca 0.00 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1f4i h ASN 31 CO 0.00 0.03 -0.69 0.25 -1.29 0.00 0.00 177.43 175.73 1f4i h LEU 32 N 0.00 0.54 -0.33 1.61 7.12 -1.92 -2.76 115.31 119.57 1f4i h LEU 32 Ca -0.00 -0.81 -0.01 0.00 0.13 0.00 0.00 57.88 57.19 1f4i h LEU 32 Cb 0.13 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 1f4i h LEU 32 CO 0.00 1.29 0.15 0.00 -0.13 0.00 0.00 178.44 179.75 1f4i h ALA 33 N 0.26 0.43 -0.45 1.25 0.00 -1.50 0.26 119.26 119.52 1f4i h ALA 33 Ca -0.10 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1f4i h ALA 33 Cb 1.43 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1f4i h ALA 33 CO 0.13 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.42 1f4i h ALA 34 N 1.00 0.45 -0.67 0.00 0.00 -1.44 -0.56 119.26 118.05 1f4i h ALA 34 Ca 0.11 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1f4i h ALA 34 Cb 0.14 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1f4i h ALA 34 CO -0.01 -0.36 0.44 -0.97 0.00 0.00 0.00 179.25 178.34 1f4i h ASN 35 N 0.15 0.57 0.18 0.00 -0.73 -1.02 -0.65 115.58 114.08 1f4i h ASN 35 Ca 0.22 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 1f4i h ASN 35 Cb 0.31 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1f4i h ASN 35 CO -0.34 0.36 -0.08 0.15 -0.37 0.00 0.00 177.43 177.15 1f4i h PHE 36 N 0.64 -0.22 -0.01 0.67 3.04 0.53 -1.82 116.94 119.78 1f4i h PHE 36 Ca 0.29 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.10 1f4i h PHE 36 Cb 0.31 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1f4i h PHE 36 CO -0.00 -0.05 -0.63 -0.07 -2.02 0.00 0.00 178.31 175.53 1f4i h LEU 37 N -0.34 0.04 0.00 0.59 4.07 -0.58 -2.88 115.31 116.22 1f4i h LEU 37 Ca -0.02 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.76 1f4i h LEU 37 Cb 0.26 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1f4i h LEU 37 CO 0.04 0.66 -0.96 -0.07 -1.08 0.00 0.00 178.44 177.03 1f4i h LEU 38 N 0.03 0.00 -0.98 1.67 3.38 -1.18 -3.19 115.31 115.04 1f4i h LEU 38 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1f4i h LEU 38 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1f4i h LEU 38 CO 0.08 0.62 -0.31 -1.28 0.09 0.00 0.00 178.44 177.65 1f4i h SER 39 N 0.00 0.00 -1.07 -0.43 0.87 -1.20 -3.38 113.55 108.34 1f4i h SER 39 Ca -0.08 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.90 1f4i h SER 39 Cb 1.54 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.41 1f4i h SER 39 CO 0.07 0.31 1.50 -1.10 -0.53 0.00 0.00 176.83 177.08 1f4i s GLN 40 N -3.60 3.55 0.20 2.24 -0.21 -1.10 -4.97 119.66 115.76 1f4i s GLN 40 Ca 0.00 -1.13 -0.33 0.00 0.02 0.00 0.00 55.36 53.93 1f4i s GLN 40 Cb 0.10 -5.35 -0.14 0.00 1.00 0.00 0.00 33.01 28.62 1f4i s GLN 40 CO 0.67 -2.29 1.48 0.09 -2.12 0.00 0.00 175.29 173.11 1f4i n ASN 41 N 9.19 2.84 -0.54 5.90 4.13 -1.26 -4.86 115.26 130.67 1f4i n ASN 41 Ca 0.35 1.11 -0.02 0.00 1.68 0.00 0.00 54.58 57.70 1f4i n ASN 41 Cb 0.50 -1.41 -0.02 0.00 -1.54 0.00 0.00 39.78 37.31 1f4i n ASN 41 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1f4i n PHE 42 N 2.61 0.00 0.00 3.10 7.35 -1.26 -5.07 117.46 124.19 1f4i n PHE 42 Ca 0.14 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1f4i n PHE 42 Cb 0.30 0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.42 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 -2.85 -2.13 -0.08 -1.26 -5.11 116.55 105.12 1f4i n ASP 43 Ca -0.07 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.20 1f4i n ASP 43 Cb 0.35 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.81 1f4i n ASP 43 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1f4i n ASP 44 N 0.00 -6.85 0.00 1.67 -0.08 -1.26 -5.32 116.55 104.71 1f4i n ASP 44 Ca 0.00 1.14 0.09 0.00 -1.51 0.00 0.00 54.79 54.51 1f4i n ASP 44 Cb 0.00 -4.18 0.53 0.00 2.34 0.00 0.00 41.12 39.82 1f4i n ASP 44 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70