#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 2.00 0.32 2.61 0.00 -1.26 -4.50 120.64 119.82 1f4i n GLU 2 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 57.16 56.89 1f4i n GLU 2 Cb 0.00 -1.21 0.76 0.00 0.00 0.00 0.00 31.44 30.99 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 0.89 0.00 -0.33 5.31 5.09 -2.05 -0.10 116.57 125.38 1f4i h LYS 3 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.68 1f4i h LYS 3 Cb 0.43 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.75 1f4i h LYS 3 CO 0.00 0.00 -0.02 0.93 -2.09 0.00 0.00 179.45 178.27 1f4i h GLU 4 N 0.00 0.60 0.00 0.07 4.39 -2.02 -2.50 114.58 115.11 1f4i h GLU 4 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1f4i h GLU 4 Cb 0.70 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1f4i h GLU 4 CO 0.00 0.74 0.00 0.00 -1.16 0.00 0.00 179.01 178.59 1f4i n ALA 5 N -2.39 2.05 0.15 3.43 0.00 -0.07 -3.47 120.51 120.21 1f4i n ALA 5 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1f4i n ALA 5 Cb 0.29 -1.44 0.17 0.00 0.00 0.00 0.00 19.45 18.47 1f4i n ALA 5 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f4i h ILE 6 N 0.00 1.10 0.00 0.00 2.04 -1.23 0.13 117.51 119.55 1f4i h ILE 6 Ca 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1f4i h ILE 6 Cb 0.58 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1f4i h ILE 6 CO 0.00 0.53 -0.32 1.05 0.00 0.00 0.00 178.15 179.41 1f4i h GLU 7 N 0.00 0.00 0.00 2.37 4.11 -1.57 -2.53 114.58 116.96 1f4i h GLU 7 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1f4i h GLU 7 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1f4i h GLU 7 CO 0.07 0.00 -0.47 -0.09 0.07 0.00 0.00 179.01 178.59 1f4i h ARG 8 N 0.00 0.00 -0.42 1.06 2.43 -1.45 -1.93 114.38 114.07 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 0.81 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.28 1f4i h ARG 8 CO 0.00 0.48 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.77 1f4i h LEU 9 N -1.00 -0.39 -1.17 3.80 3.38 -0.91 -0.17 115.31 118.85 1f4i h LEU 9 Ca -0.09 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1f4i h LEU 9 Cb 0.70 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1f4i h LEU 9 CO -0.06 -0.14 0.54 0.11 0.09 0.00 0.00 178.44 178.98 1f4i h LYS 10 N 0.00 1.09 0.00 1.13 1.57 -1.59 -2.75 116.57 116.03 1f4i h LYS 10 Ca 0.20 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1f4i h LYS 10 Cb 0.31 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1f4i h LYS 10 CO -0.43 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1f4i h ALA 11 N 1.47 1.00 0.00 3.86 0.00 -0.20 -0.53 119.26 124.86 1f4i h ALA 11 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1f4i h ALA 11 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1f4i h ALA 11 CO -0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1f4i n LEU 12 N -3.00 0.00 0.00 0.00 4.32 -0.91 -4.81 117.00 112.60 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 0.20 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 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 1.45 0.00 -0.72 0.00 -0.30 -5.10 105.19 101.07 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 -1.51 0.00 -3.63 1.61 3.72 -0.63 -5.00 117.46 112.02 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 4.21 0.73 0.63 -1.08 2.12 -1.26 -4.83 118.70 119.22 1f4i s GLU 15 Ca 0.00 0.88 0.23 0.00 0.36 0.00 0.00 54.97 56.44 1f4i s GLU 15 Cb 0.00 0.35 1.12 0.00 0.26 0.00 0.00 34.13 35.86 1f4i s GLU 15 CO 0.00 -0.09 1.60 1.49 -0.54 0.00 0.00 175.26 177.72 1f4i h GLU 16 N 4.79 0.00 0.00 4.30 4.81 -1.95 0.64 114.58 127.17 1f4i h GLU 16 Ca -0.29 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1f4i h GLU 16 Cb 1.17 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 -0.16 0.77 -0.73 0.00 0.00 179.01 178.96 1f4i h SER 17 N 0.00 0.00 0.71 1.04 0.02 -1.97 -0.97 113.55 112.37 1f4i h SER 17 Ca 0.17 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1f4i h SER 17 Cb 1.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1f4i h SER 17 CO -0.00 0.95 0.00 0.17 -1.14 0.00 0.00 176.83 176.81 1f4i h LEU 18 N -1.00 0.00 0.25 5.07 -0.00 -1.49 -2.15 115.31 115.99 1f4i h LEU 18 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1f4i h LEU 18 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1f4i h LEU 18 CO -0.02 0.00 -0.12 0.58 -0.00 0.00 0.00 178.44 178.88 1f4i h VAL 19 N 0.00 0.09 -0.36 0.15 2.07 -1.04 -1.78 116.25 115.38 1f4i h VAL 19 Ca 0.00 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1f4i h VAL 19 Cb 0.36 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1f4i h VAL 19 CO 0.00 0.02 0.17 0.40 0.02 0.00 0.00 177.57 178.18 1f4i h ILE 20 N -1.08 0.97 0.00 4.57 1.08 -1.08 0.25 117.51 122.23 1f4i h ILE 20 Ca -0.03 -0.12 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 1f4i h ILE 20 Cb 0.30 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1f4i h ILE 20 CO 0.06 0.06 -0.44 -0.61 -0.69 0.00 0.00 178.15 176.53 1f4i h GLN 21 N 0.35 0.00 0.00 2.37 4.15 -1.54 0.14 115.11 120.58 1f4i h GLN 21 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1f4i h GLN 21 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1f4i h GLN 21 CO -0.11 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.23 1f4i h ALA 22 N 1.56 1.00 0.00 3.38 0.00 -0.51 -1.38 119.26 123.31 1f4i h ALA 22 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1f4i h ALA 22 Cb 0.89 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1f4i h ALA 22 CO 0.06 0.00 -2.17 0.98 0.00 0.00 0.00 179.25 178.12 1f4i n TYR 23 N -2.99 0.26 0.04 0.00 9.36 0.82 -3.57 117.16 121.08 1f4i n TYR 23 Ca 0.03 0.09 -0.20 0.00 3.32 0.00 0.00 57.90 61.14 1f4i n TYR 23 Cb 0.44 -1.01 -0.14 0.00 -0.63 0.00 0.00 39.34 38.00 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 0.53 0.00 2.98 0.04 -0.78 0.60 116.94 120.31 1f4i h PHE 24 Ca -0.44 -0.38 -0.06 0.00 2.80 0.00 0.00 57.97 59.89 1f4i h PHE 24 Cb 2.08 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.20 1f4i h PHE 24 CO 0.00 1.60 -0.27 0.00 -0.60 0.00 0.00 178.31 179.04 1f4i h ALA 25 N 0.26 1.16 -0.22 2.45 0.00 -1.46 -1.66 119.26 119.78 1f4i h ALA 25 Ca -0.35 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1f4i h ALA 25 Cb 2.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1f4i h ALA 25 CO 0.14 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1f4i n GLU 27 N 0.16 -2.47 -3.92 0.00 0.00 -0.62 -3.65 120.64 110.14 1f4i n GLU 27 Ca 0.08 0.68 -0.28 0.00 0.00 0.00 0.00 57.16 57.64 1f4i n GLU 27 Cb 0.21 -5.11 0.01 0.00 0.00 0.00 0.00 31.44 26.55 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 -3.78 -0.56 0.00 5.31 4.76 0.21 -4.93 118.16 119.17 1f4i n LYS 28 Ca -0.12 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.15 1f4i n LYS 28 Cb 0.62 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 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 -0.88 0.00 0.00 4.39 5.15 -1.24 -5.08 115.26 117.60 1f4i n ASN 29 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1f4i n ASN 29 Cb 0.33 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1f4i n GLU 30 N 0.00 0.00 0.32 1.20 1.02 -1.26 -4.72 120.64 117.20 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 1.08 0.00 -0.02 0.00 0.00 31.44 32.50 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 0.04 1.62 4.21 -2.00 -1.93 115.58 117.52 1f4i h ASN 31 Ca 0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 1f4i h ASN 31 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1f4i h ASN 31 CO 0.00 0.01 -0.43 0.25 -1.29 0.00 0.00 177.43 175.97 1f4i h LEU 32 N 0.00 0.30 -0.31 1.61 6.46 -1.93 -2.05 115.31 119.39 1f4i h LEU 32 Ca -0.00 -0.87 -0.00 0.00 -0.12 0.00 0.00 57.88 56.88 1f4i h LEU 32 Cb 0.08 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1f4i h LEU 32 CO 0.00 1.15 0.18 0.00 -0.62 0.00 0.00 178.44 179.15 1f4i h ALA 33 N 0.16 0.39 -0.31 1.25 0.00 -1.65 0.35 119.26 119.44 1f4i h ALA 33 Ca -0.07 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1f4i h ALA 33 Cb 1.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1f4i h ALA 33 CO 0.08 -0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.32 1f4i h ALA 34 N 1.07 0.35 -0.55 0.00 0.00 -1.48 -1.57 119.26 117.08 1f4i h ALA 34 Ca 0.11 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1f4i h ALA 34 Cb 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1f4i h ALA 34 CO -0.02 -0.31 0.37 -0.97 0.00 0.00 0.00 179.25 178.31 1f4i h ASN 35 N 0.22 0.36 0.07 0.00 -0.00 -0.73 -0.59 115.58 114.90 1f4i h ASN 35 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 1f4i h ASN 35 Cb 0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.38 1f4i h ASN 35 CO -0.16 0.23 -0.03 0.15 -0.00 0.00 0.00 177.43 177.61 1f4i h PHE 36 N 0.41 -0.09 0.00 0.67 3.04 -0.03 -1.22 116.94 119.72 1f4i h PHE 36 Ca 0.25 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.06 1f4i h PHE 36 Cb 0.44 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 1f4i h PHE 36 CO -0.00 0.19 -0.62 -0.07 -2.02 0.00 0.00 178.31 175.79 1f4i h LEU 37 N -0.36 0.00 0.00 0.59 3.38 -0.77 -2.82 115.31 115.33 1f4i h LEU 37 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1f4i h LEU 37 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1f4i h LEU 37 CO 0.02 0.62 -1.08 -0.07 0.09 0.00 0.00 178.44 178.02 1f4i h LEU 38 N 0.00 0.00 -0.85 1.67 3.38 -1.17 -3.26 115.31 115.09 1f4i h LEU 38 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1f4i h LEU 38 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1f4i h LEU 38 CO 0.08 0.63 -0.28 -1.28 0.09 0.00 0.00 178.44 177.68 1f4i h SER 39 N 0.00 0.55 -2.81 -0.43 0.87 -1.13 -3.38 113.55 107.22 1f4i h SER 39 Ca -0.10 -0.20 -0.66 0.00 -1.23 0.00 0.00 61.79 59.60 1f4i h SER 39 Cb 1.57 -0.15 -0.17 0.00 -0.44 0.00 0.00 62.40 63.21 1f4i h SER 39 CO 0.06 0.81 0.35 -1.10 -0.53 0.00 0.00 176.83 176.42 1f4i s GLN 40 N -4.47 3.09 0.18 2.24 -0.21 -1.07 -5.01 119.66 114.42 1f4i s GLN 40 Ca -0.07 -1.01 -0.33 0.00 0.02 0.00 0.00 55.36 53.97 1f4i s GLN 40 Cb 0.13 -4.23 -0.15 0.00 1.00 0.00 0.00 33.01 29.77 1f4i s GLN 40 CO 0.80 -1.66 1.37 0.09 -2.12 0.00 0.00 175.29 173.78 1f4i n ASN 41 N 7.06 2.30 -2.66 5.90 5.03 -1.26 -4.89 115.26 126.75 1f4i n ASN 41 Ca -0.06 1.13 -0.04 0.00 0.87 0.00 0.00 54.58 56.48 1f4i n ASN 41 Cb 0.44 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 37.87 1f4i n ASN 41 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1f4i n PHE 42 N 2.21 -0.43 0.00 3.10 7.35 -1.26 -5.05 117.46 123.39 1f4i n PHE 42 Ca 0.15 -0.74 0.00 0.00 -0.76 0.00 0.00 57.45 56.09 1f4i n PHE 42 Cb 0.27 1.19 0.00 0.00 0.35 0.00 0.00 39.48 41.29 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 -0.39 0.00 0.00 -2.13 -0.08 -1.26 -4.99 116.55 107.70 1f4i n ASP 43 Ca -0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 1f4i n ASP 43 Cb 0.66 0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.24 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 -1.35 0.00 -0.36 1.67 2.03 -1.26 -5.30 116.55 111.99 1f4i n ASP 44 Ca 0.00 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.46 1f4i n ASP 44 Cb 0.00 0.05 0.63 0.00 -0.72 0.00 0.00 41.12 41.08 1f4i n ASP 44 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44