#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 s GLU 2 N 0.00 2.00 1.13 1.96 8.01 -1.26 -4.96 118.70 125.58 1u57 s GLU 2 Ca 0.00 -1.88 -0.15 0.00 0.01 0.00 0.00 54.97 52.95 1u57 s GLU 2 Cb 0.00 -1.82 0.19 0.00 -4.31 0.00 0.00 34.13 28.19 1u57 s GLU 2 CO 0.00 0.07 0.57 0.39 0.01 0.00 0.00 175.26 176.30 1u57 n GLU 3 N -0.95 -1.91 -0.98 1.61 -0.58 -1.26 -4.20 120.64 112.37 1u57 n GLU 3 Ca -0.04 -0.53 -0.04 0.00 -0.42 0.00 0.00 57.16 56.13 1u57 n GLU 3 Cb 0.64 -1.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 1u57 n GLU 3 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1u57 n MET 4 N -3.55 0.10 -3.95 3.49 0.00 -1.26 -4.69 117.12 107.26 1u57 n MET 4 Ca 0.03 -0.64 -0.33 0.00 -0.00 0.00 0.00 57.70 56.76 1u57 n MET 4 Cb 0.57 0.47 -0.06 0.00 0.00 0.00 0.00 33.22 34.20 1u57 n MET 4 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1u57 n MET 5 N -0.12 -1.09 0.00 2.12 2.81 -1.26 -3.67 117.12 115.92 1u57 n MET 5 Ca -0.17 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1u57 n MET 5 Cb 0.56 -4.27 0.00 0.00 -0.71 0.00 0.00 33.22 28.79 1u57 n MET 5 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1u57 n THR 6 N -3.50 0.00 0.24 2.03 -1.04 -1.26 -4.84 114.28 105.92 1u57 n THR 6 Ca 0.09 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.18 1u57 n THR 6 Cb 0.42 0.00 0.60 0.00 -1.82 0.00 0.00 70.33 69.53 1u57 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u57 h ALA 7 N 0.00 1.74 -1.06 2.41 0.00 -1.83 -3.15 119.26 117.37 1u57 h ALA 7 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 1u57 h ALA 7 Cb 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 17.45 1u57 h ALA 7 CO 0.00 0.13 -0.95 0.00 0.00 0.00 0.00 179.25 178.43 1u57 s GLN 9 N -1.82 3.00 -1.17 0.00 0.74 -1.20 -2.69 119.66 116.52 1u57 s GLN 9 Ca 0.30 1.37 -0.05 0.00 0.05 0.00 0.00 55.36 57.04 1u57 s GLN 9 Cb 0.38 -4.31 0.01 0.00 1.10 0.00 0.00 33.01 30.18 1u57 s GLN 9 CO -0.04 -2.25 0.66 0.41 -0.55 0.00 0.00 175.29 173.52 1u57 n GLY 10 N 5.61 -0.25 0.31 2.59 0.00 -1.26 -4.92 105.19 107.26 1u57 n GLY 10 Ca 0.25 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1u57 n GLY 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u57 h VAL 11 N -1.50 1.27 0.00 1.61 3.04 -1.94 -3.20 116.25 115.52 1u57 h VAL 11 Ca -0.43 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.17 1u57 h VAL 11 Cb 1.29 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1u57 h VAL 11 CO 0.45 0.40 -0.00 1.23 -1.01 0.00 0.00 177.57 178.64 1u57 h GLY 12 N 1.02 0.00 0.00 3.17 0.00 -1.91 -3.51 103.07 101.83 1u57 h GLY 12 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1u57 h GLY 12 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1u57 n GLY 13 N 1.63 -0.38 0.06 4.60 0.00 -1.21 -4.84 105.19 105.04 1u57 n GLY 13 Ca -0.09 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1u57 n GLY 13 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u57 h PRO 14 N 2.61 0.01 -0.82 1.61 0.11 -1.98 0.13 132.00 133.68 1u57 h PRO 14 Ca 0.00 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.30 1u57 h PRO 14 Cb 0.00 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 1u57 h PRO 14 CO 0.00 0.01 0.27 0.78 -0.21 0.00 0.00 178.00 178.85 1u57 h GLY 15 N 0.01 1.27 1.80 -0.55 0.00 -1.99 0.19 103.07 103.81 1u57 h GLY 15 Ca 0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.06 1u57 h GLY 15 CO -0.05 -0.24 -0.93 0.84 0.00 0.00 0.00 176.54 176.16 1u57 h HIS 16 N 0.32 0.26 -0.28 5.60 -0.00 -1.80 -2.00 115.15 117.26 1u57 h HIS 16 Ca 0.49 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.68 1u57 h HIS 16 Cb 0.88 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1u57 h HIS 16 CO -0.21 1.00 0.08 0.87 -0.00 0.00 0.00 177.93 179.68 1u57 h LYS 17 N 0.08 0.39 -0.06 5.26 1.79 0.96 0.11 116.57 125.11 1u57 h LYS 17 Ca -0.05 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.17 1u57 h LYS 17 Cb 1.59 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1u57 h LYS 17 CO 0.14 0.35 -0.82 0.00 -1.08 0.00 0.00 179.45 178.04 1u57 h ALA 18 N 1.71 0.46 -0.38 3.86 0.00 -0.61 -1.21 119.26 123.10 1u57 h ALA 18 Ca 0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1u57 h ALA 18 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u57 h ALA 18 CO -0.01 0.77 -0.07 -0.09 0.00 0.00 0.00 179.25 179.85 1u57 h ARG 19 N 0.30 0.71 -0.45 0.00 2.43 -0.56 -0.34 114.38 116.48 1u57 h ARG 19 Ca -0.05 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1u57 h ARG 19 Cb 1.42 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1u57 h ARG 19 CO 0.15 0.85 -0.01 0.28 -1.51 0.00 0.00 179.97 179.72 1u57 h VAL 20 N 0.52 1.26 0.37 0.20 2.07 -0.85 -1.41 116.25 118.41 1u57 h VAL 20 Ca 0.10 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1u57 h VAL 20 Cb 0.57 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1u57 h VAL 20 CO 0.03 0.37 -0.21 0.25 0.02 0.00 0.00 177.57 178.03 1u57 h LEU 21 N 0.64 -0.52 -0.94 2.57 5.85 -1.15 -1.23 115.31 120.53 1u57 h LEU 21 Ca 0.12 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.05 1u57 h LEU 21 Cb 0.51 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 1u57 h LEU 21 CO 0.03 -0.34 0.53 0.00 -0.34 0.00 0.00 178.44 178.31 1u57 h ALA 22 N 0.06 1.49 -0.20 1.25 0.00 -0.87 0.37 119.26 121.37 1u57 h ALA 22 Ca -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u57 h ALA 22 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1u57 h ALA 22 CO 0.05 -0.07 0.10 1.49 0.00 0.00 0.00 179.25 180.82 1u57 h GLU 23 N 0.69 0.28 -0.22 0.00 4.81 -1.01 -1.66 114.58 117.47 1u57 h GLU 23 Ca 0.53 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.56 1u57 h GLU 23 Cb 0.80 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1u57 h GLU 23 CO -0.38 0.29 -0.53 0.00 -0.73 0.00 0.00 179.01 177.66 1u57 h ALA 24 N 0.97 0.65 -0.22 2.92 0.00 0.08 -1.85 119.26 121.81 1u57 h ALA 24 Ca 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1u57 h ALA 24 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u57 h ALA 24 CO -0.01 0.68 0.10 0.52 0.00 0.00 0.00 179.25 180.55 1u57 h MET 25 N 0.50 0.33 -0.93 0.00 2.86 -0.25 0.24 114.93 117.67 1u57 h MET 25 Ca 0.01 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1u57 h MET 25 Cb 1.09 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 1u57 h MET 25 CO 0.11 0.35 0.60 0.77 1.06 0.00 0.00 176.91 179.79 1u57 h SER 26 N 0.23 0.93 0.24 1.22 0.02 -1.21 -1.14 113.55 113.84 1u57 h SER 26 Ca 0.08 0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.76 1u57 h SER 26 Cb 0.13 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.50 1u57 h SER 26 CO -0.01 0.59 -1.17 -0.61 -1.14 0.00 0.00 176.83 174.49 1u57 h GLN 27 N 1.05 0.53 -0.02 3.45 5.75 -0.56 -1.16 115.11 124.15 1u57 h GLN 27 Ca 0.40 -0.69 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1u57 h GLN 27 Cb 0.21 0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 1u57 h GLN 27 CO -0.16 1.29 -0.03 0.28 -2.65 0.00 0.00 178.83 177.56 1u57 h VAL 28 N 0.24 1.43 -0.28 2.39 2.07 -0.43 0.72 116.25 122.40 1u57 h VAL 28 Ca -0.15 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1u57 h VAL 28 Cb 1.84 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 33.87 1u57 h VAL 28 CO 0.21 0.35 0.03 0.00 0.02 0.00 0.00 177.57 178.18 1u57 h THR 29 N -0.48 1.16 -0.56 2.57 1.03 -1.32 -1.24 112.91 114.07 1u57 h THR 29 Ca 0.00 -0.60 -0.11 0.00 -0.01 0.00 0.00 66.41 65.69 1u57 h THR 29 Cb 0.59 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 68.57 1u57 h THR 29 CO 0.01 0.21 -0.06 -1.13 -0.01 0.00 0.00 175.52 174.53 1u57 h ASN 30 N 0.41 1.03 -0.48 0.00 -1.24 -1.06 0.28 115.58 114.52 1u57 h ASN 30 Ca 0.09 -0.33 -0.00 0.00 0.71 0.00 0.00 56.30 56.77 1u57 h ASN 30 Cb 0.23 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1u57 h ASN 30 CO 0.00 1.12 0.30 -1.28 -1.29 0.00 0.00 177.43 176.28 1u57 h SER 31 N 0.92 0.59 1.33 1.15 0.87 0.05 -0.45 113.55 118.02 1u57 h SER 31 Ca 0.15 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1u57 h SER 31 Cb 0.63 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1u57 h SER 31 CO 0.04 0.45 -0.67 0.00 -0.53 0.00 0.00 176.83 176.12 1u57 h ALA 32 N 1.65 0.57 -0.47 6.23 0.00 -0.86 -2.82 119.26 123.56 1u57 h ALA 32 Ca 0.18 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1u57 h ALA 32 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1u57 h ALA 32 CO -0.03 0.83 0.20 0.00 0.00 0.00 0.00 179.25 180.24 1u57 h THR 33 N 0.00 1.17 -0.43 0.00 1.03 0.11 -0.28 112.91 114.51 1u57 h THR 33 Ca -0.01 -0.52 -0.10 0.00 -0.01 0.00 0.00 66.41 65.77 1u57 h THR 33 Cb 1.51 0.60 -0.02 0.00 -1.07 0.00 0.00 68.15 69.17 1u57 h THR 33 CO 0.09 0.21 -0.12 0.40 -0.01 0.00 0.00 175.52 176.08 1u57 h ILE 34 N 0.67 1.26 0.00 0.00 2.04 -1.07 -1.01 117.51 119.39 1u57 h ILE 34 Ca 0.16 -1.19 -0.14 0.00 1.00 0.00 0.00 64.86 64.70 1u57 h ILE 34 Cb 0.12 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1u57 h ILE 34 CO -0.02 0.41 -0.65 0.00 0.00 0.00 0.00 178.15 177.89 1u57 h MET 35 N 0.70 0.00 0.31 2.37 -0.00 -0.96 0.11 114.93 117.46 1u57 h MET 35 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.80 1u57 h MET 35 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1u57 h MET 35 CO 0.04 0.65 -0.15 0.52 -0.00 0.00 0.00 176.91 177.97 1u57 h MET 36 N 0.00 -0.40 -0.83 -0.10 2.86 -0.98 -3.16 114.93 112.31 1u57 h MET 36 Ca -0.01 0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.87 1u57 h MET 36 Cb 1.19 0.09 -0.13 0.00 0.06 0.00 0.00 31.60 32.81 1u57 h MET 36 CO 0.08 -0.06 0.22 0.37 1.06 0.00 0.00 176.91 178.58 1u57 h GLN 37 N -0.83 0.24 -5.53 1.72 4.15 -1.15 -0.50 115.11 113.21 1u57 h GLN 37 Ca -0.04 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.02 1u57 h GLN 37 Cb 0.52 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 1u57 h GLN 37 CO 0.07 0.16 1.06 1.03 -1.93 0.00 0.00 178.83 179.22 1u57 s ARG 38 N -5.97 2.57 0.00 1.69 3.00 0.38 -1.11 118.95 119.51 1u57 s ARG 38 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 55.73 54.56 1u57 s ARG 38 Cb 0.24 -5.22 0.00 0.00 0.00 0.00 0.00 34.95 29.97 1u57 s ARG 38 CO 0.77 -3.80 0.00 0.41 0.00 0.00 0.00 175.30 172.68 1u57 n GLY 39 N 5.98 2.84 1.07 -3.53 0.00 -1.22 -4.88 105.19 105.45 1u57 n GLY 39 Ca 0.44 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1u57 n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u57 n ASN 40 N 0.00 2.68 0.12 1.61 5.03 -0.20 -3.53 115.26 120.97 1u57 n ASN 40 Ca 0.00 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 53.13 1u57 n ASN 40 Cb 0.00 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1u57 n PHE 41 N 0.12 -3.44 -0.08 3.10 7.35 -0.71 -4.81 117.46 118.99 1u57 n PHE 41 Ca 0.11 0.81 -0.06 0.00 -0.76 0.00 0.00 57.45 57.54 1u57 n PHE 41 Cb 0.64 2.23 -0.00 0.00 0.35 0.00 0.00 39.48 42.69 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1u57 h ARG 42 N 0.00 -0.10 0.00 -4.13 9.65 -1.32 -2.82 114.38 115.66 1u57 h ARG 42 Ca 0.00 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1u57 h ARG 42 Cb 0.00 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1u57 h ARG 42 CO 0.00 -0.07 -0.00 -0.97 2.80 0.00 0.00 179.97 181.73 1u57 h ASN 43 N -0.10 -0.00 0.00 -3.80 -1.24 -1.79 -3.41 115.58 105.24 1u57 h ASN 43 Ca 0.16 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 56.28 1u57 h ASN 43 Cb 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1u57 h ASN 43 CO -0.38 0.90 0.00 0.00 -1.29 0.00 0.00 177.43 176.66 1u57 n GLN 44 N -4.65 0.00 -3.93 6.67 1.13 -1.14 -4.89 117.38 110.57 1u57 n GLN 44 Ca -0.09 0.86 -0.27 0.00 -1.94 0.00 0.00 57.00 55.56 1u57 n GLN 44 Cb 0.43 -1.43 -0.01 0.00 0.11 0.00 0.00 30.24 29.34 1u57 n GLN 44 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1u57 n ARG 45 N -2.60 -2.83 -1.75 -1.09 5.12 -1.08 -4.87 116.66 107.56 1u57 n ARG 45 Ca 0.00 0.39 -0.33 0.00 -1.93 0.00 0.00 57.85 55.98 1u57 n ARG 45 Cb 0.00 -4.37 -0.02 0.00 -1.16 0.00 0.00 32.46 26.91 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1u57 n LYS 46 N -4.40 2.96 -2.99 5.56 4.81 -1.26 -4.62 118.16 118.22 1u57 n LYS 46 Ca -0.28 -2.97 -0.12 0.00 -0.87 0.00 0.00 58.31 54.07 1u57 n LYS 46 Cb 0.67 -2.26 0.06 0.00 0.02 0.00 0.00 35.03 33.52 1u57 n LYS 46 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1u57 n ILE 47 N 0.51 -8.05 -1.93 3.15 5.41 -1.26 -5.24 119.36 111.95 1u57 n ILE 47 Ca 0.52 -1.13 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1u57 n ILE 47 Cb 0.41 -6.04 0.00 0.00 -0.71 0.00 0.00 39.64 33.29 1u57 n ILE 47 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10