#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 n GLU 2 N 0.00 3.11 -0.44 3.23 0.00 -1.26 -4.62 120.64 120.67 1u57 n GLU 2 Ca 0.00 -2.41 0.10 0.00 0.00 0.00 0.00 57.16 54.86 1u57 n GLU 2 Cb 0.00 -3.08 0.32 0.00 0.00 0.00 0.00 31.44 28.68 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1u57 n GLU 3 N 5.16 2.97 0.04 5.31 0.28 -1.26 -4.10 120.64 129.04 1u57 n GLU 3 Ca 0.62 -2.60 -0.09 0.00 -0.16 0.00 0.00 57.16 54.93 1u57 n GLU 3 Cb 0.33 -1.66 0.04 0.00 1.43 0.00 0.00 31.44 31.58 1u57 n GLU 3 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1u57 h MET 4 N 4.04 0.44 -0.28 3.44 2.86 -1.99 -0.52 114.93 122.93 1u57 h MET 4 Ca 0.00 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 1u57 h MET 4 Cb 1.10 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1u57 h MET 4 CO 0.08 0.95 -0.15 1.98 1.06 0.00 0.00 176.91 180.83 1u57 h MET 5 N 0.31 0.60 -0.57 1.72 1.85 -1.85 -0.12 114.93 116.87 1u57 h MET 5 Ca -0.02 -0.27 -0.10 0.00 -0.61 0.00 0.00 59.70 58.70 1u57 h MET 5 Cb 1.22 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 1u57 h MET 5 CO 0.12 0.85 -0.04 1.15 -0.40 0.00 0.00 176.91 178.59 1u57 h THR 6 N 0.34 1.27 0.34 -0.77 2.02 -1.75 -2.49 112.91 111.87 1u57 h THR 6 Ca 0.06 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 1u57 h THR 6 Cb 0.68 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1u57 h THR 6 CO 0.04 0.43 -0.16 0.00 0.37 0.00 0.00 175.52 176.20 1u57 h ALA 7 N 0.96 -0.81 -0.48 6.16 0.00 -1.07 -3.32 119.26 120.69 1u57 h ALA 7 Ca 0.16 -0.10 -0.70 0.00 0.00 0.00 0.00 54.91 54.26 1u57 h ALA 7 Cb 0.60 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 1u57 h ALA 7 CO 0.04 -0.78 2.60 0.00 0.00 0.00 0.00 179.25 181.10 1u57 h GLN 9 N 4.58 -0.00 -0.49 0.00 4.15 -1.55 -3.42 115.11 118.37 1u57 h GLN 9 Ca 0.72 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.87 1u57 h GLN 9 Cb 0.34 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 27.72 1u57 h GLN 9 CO 1.50 0.88 -0.85 0.41 -1.93 0.00 0.00 178.83 178.83 1u57 n GLY 10 N 1.58 1.61 0.22 2.39 0.00 -1.26 -4.94 105.19 104.78 1u57 n GLY 10 Ca -0.09 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 3.53 1.31 0.00 1.61 3.04 -1.84 -3.47 116.25 120.42 1u57 h VAL 11 Ca -0.20 -1.82 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 1u57 h VAL 11 Cb 1.25 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1u57 h VAL 11 CO 0.20 0.57 0.00 0.61 -1.01 0.00 0.00 177.57 177.94 1u57 n GLY 12 N 0.35 2.44 1.01 3.17 0.00 -1.26 -4.86 105.19 106.05 1u57 n GLY 12 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1u57 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u57 n GLY 13 N 0.00 -2.78 0.35 -0.02 0.00 -1.26 -3.90 105.19 97.58 1u57 n GLY 13 Ca 0.00 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 1u57 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u57 h PRO 14 N 0.00 -0.79 -0.93 1.61 0.13 -1.98 0.29 132.00 130.32 1u57 h PRO 14 Ca 0.00 0.05 0.25 0.00 -0.87 0.00 0.00 66.00 65.44 1u57 h PRO 14 Cb 0.00 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 31.17 1u57 h PRO 14 CO 0.00 -0.53 0.41 0.78 -0.23 0.00 0.00 178.00 178.43 1u57 h GLY 15 N -0.82 1.66 1.72 1.56 0.00 -2.00 0.24 103.07 105.43 1u57 h GLY 15 Ca -0.08 -0.16 -0.25 0.00 0.00 0.00 0.00 47.33 46.84 1u57 h GLY 15 CO 0.12 -0.35 -1.13 0.84 0.00 0.00 0.00 176.54 176.01 1u57 h HIS 16 N 0.34 0.38 0.00 5.60 -0.00 -1.61 -2.57 115.15 117.28 1u57 h HIS 16 Ca 0.61 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1u57 h HIS 16 Cb 1.25 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1u57 h HIS 16 CO -0.13 1.18 -0.06 -0.22 -0.00 0.00 0.00 177.93 178.70 1u57 h LYS 17 N 0.07 0.00 -0.25 5.26 1.63 0.93 0.31 116.57 124.51 1u57 h LYS 17 Ca -0.09 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.54 1u57 h LYS 17 Cb 1.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.48 1u57 h LYS 17 CO 0.18 0.06 -0.49 0.00 -3.45 0.00 0.00 179.45 175.75 1u57 h ALA 18 N 1.94 0.40 -0.38 5.00 0.00 -0.98 -1.83 119.26 123.41 1u57 h ALA 18 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1u57 h ALA 18 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u57 h ALA 18 CO 0.01 0.57 -0.22 -0.09 0.00 0.00 0.00 179.25 179.52 1u57 h ARG 19 N 0.53 0.81 -0.27 0.00 9.65 -0.78 -1.17 114.38 123.15 1u57 h ARG 19 Ca 0.01 -0.37 -0.15 0.00 -1.10 0.00 0.00 59.98 58.37 1u57 h ARG 19 Cb 1.09 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1u57 h ARG 19 CO 0.11 1.00 -0.44 -0.24 2.80 0.00 0.00 179.97 183.20 1u57 h VAL 20 N 0.61 1.30 0.49 0.20 3.04 -0.50 -0.73 116.25 120.66 1u57 h VAL 20 Ca 0.08 -1.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.11 1u57 h VAL 20 Cb 0.78 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1u57 h VAL 20 CO 0.06 0.52 -0.24 0.25 -1.01 0.00 0.00 177.57 177.16 1u57 h LEU 21 N 0.55 -0.56 -0.96 3.16 5.85 -1.33 -2.53 115.31 119.50 1u57 h LEU 21 Ca 0.04 -0.07 0.25 0.00 0.84 0.00 0.00 57.88 58.94 1u57 h LEU 21 Cb 0.98 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.03 1u57 h LEU 21 CO 0.09 -0.21 0.49 0.00 -0.34 0.00 0.00 178.44 178.47 1u57 h ALA 22 N -0.64 1.66 -0.54 1.25 0.00 -0.99 0.44 119.26 120.44 1u57 h ALA 22 Ca -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1u57 h ALA 22 Cb 0.60 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1u57 h ALA 22 CO 0.11 -0.38 0.21 1.49 0.00 0.00 0.00 179.25 180.68 1u57 h GLU 23 N 0.43 0.81 0.03 0.00 4.57 -1.13 -3.12 114.58 116.18 1u57 h GLU 23 Ca 0.63 -0.15 -0.23 0.00 -1.18 0.00 0.00 59.36 58.43 1u57 h GLU 23 Cb 1.26 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1u57 h GLU 23 CO -0.54 0.72 -1.00 0.00 -1.18 0.00 0.00 179.01 177.01 1u57 h ALA 24 N 1.06 0.36 -0.16 2.92 0.00 0.15 -1.66 119.26 121.92 1u57 h ALA 24 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1u57 h ALA 24 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u57 h ALA 24 CO -0.01 0.92 0.00 0.00 0.00 0.00 0.00 179.25 180.16 1u57 n MET 25 N -3.63 1.58 -0.01 0.00 0.00 0.65 -0.81 117.12 114.89 1u57 n MET 25 Ca -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 57.70 56.97 1u57 n MET 25 Cb 0.88 -1.32 -0.01 0.00 0.00 0.00 0.00 33.22 32.76 1u57 n MET 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1u57 n SER 26 N 0.05 4.42 -0.05 3.17 3.41 -1.18 -4.55 113.62 118.90 1u57 n SER 26 Ca 0.06 -0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 1u57 n SER 26 Cb 0.26 0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 64.48 1u57 n SER 26 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1u57 h GLN 27 N 0.00 0.04 -0.11 4.33 5.75 -1.04 -2.34 115.11 121.74 1u57 h GLN 27 Ca -0.04 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1u57 h GLN 27 Cb 1.09 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 1u57 h GLN 27 CO 0.00 1.02 0.03 0.28 -2.65 0.00 0.00 178.83 177.51 1u57 h VAL 28 N -0.90 1.19 -0.86 2.39 2.07 -1.24 -0.48 116.25 118.43 1u57 h VAL 28 Ca -0.02 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.03 1u57 h VAL 28 Cb 1.07 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1u57 h VAL 28 CO 0.02 0.17 0.56 0.74 0.02 0.00 0.00 177.57 179.08 1u57 h THR 29 N -0.02 0.89 -0.14 2.57 2.02 -1.75 0.13 112.91 116.61 1u57 h THR 29 Ca 0.04 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1u57 h THR 29 Cb 0.25 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1u57 h THR 29 CO 0.00 0.13 -0.15 -1.13 0.37 0.00 0.00 175.52 174.74 1u57 h ASN 30 N 0.72 0.38 -0.18 4.18 -1.24 -0.90 0.88 115.58 119.42 1u57 h ASN 30 Ca 0.42 -0.49 0.04 0.00 0.71 0.00 0.00 56.30 56.98 1u57 h ASN 30 Cb 0.60 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1u57 h ASN 30 CO -0.18 0.79 0.13 -1.28 -1.29 0.00 0.00 177.43 175.60 1u57 h SER 31 N -0.02 0.04 0.92 1.15 0.87 -0.13 0.79 113.55 117.17 1u57 h SER 31 Ca 0.02 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.37 1u57 h SER 31 Cb 0.69 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1u57 h SER 31 CO 0.04 0.03 -1.14 0.00 -0.53 0.00 0.00 176.83 175.23 1u57 h ALA 32 N 1.91 0.55 -0.40 6.23 0.00 -0.89 -3.26 119.26 123.40 1u57 h ALA 32 Ca 0.08 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 1u57 h ALA 32 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1u57 h ALA 32 CO -0.01 1.19 0.13 0.00 0.00 0.00 0.00 179.25 180.57 1u57 h THR 33 N 0.00 1.17 -0.79 0.00 1.03 0.14 -0.52 112.91 113.94 1u57 h THR 33 Ca -0.10 -0.55 0.01 0.00 -0.01 0.00 0.00 66.41 65.76 1u57 h THR 33 Cb 1.74 0.72 -0.04 0.00 -1.07 0.00 0.00 68.15 69.50 1u57 h THR 33 CO 0.10 0.21 0.52 0.40 -0.01 0.00 0.00 175.52 176.73 1u57 h ILE 34 N 0.57 1.21 -0.42 0.00 2.04 -1.16 -0.94 117.51 118.80 1u57 h ILE 34 Ca 0.14 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 1u57 h ILE 34 Cb 0.16 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1u57 h ILE 34 CO -0.01 0.20 -0.17 0.24 0.00 0.00 0.00 178.15 178.41 1u57 h MET 35 N 1.07 0.85 -0.10 2.37 2.86 -1.17 0.31 114.93 121.12 1u57 h MET 35 Ca 0.29 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1u57 h MET 35 Cb -0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1u57 h MET 35 CO -0.06 0.99 0.06 0.52 1.06 0.00 0.00 176.91 179.48 1u57 h MET 36 N 0.67 0.13 -0.60 1.72 2.86 -1.11 -2.22 114.93 116.39 1u57 h MET 36 Ca 0.10 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1u57 h MET 36 Cb 0.72 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 1u57 h MET 36 CO 0.05 0.12 0.40 0.37 1.06 0.00 0.00 176.91 178.91 1u57 h GLN 37 N 0.11 0.66 -1.97 1.72 4.15 -1.05 -1.60 115.11 117.12 1u57 h GLN 37 Ca 0.04 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 1u57 h GLN 37 Cb 0.02 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.51 1u57 h GLN 37 CO -0.01 0.43 -0.14 0.54 -1.93 0.00 0.00 178.83 177.73 1u57 n ARG 38 N -4.47 1.69 0.00 1.69 3.00 0.11 -2.78 116.66 115.90 1u57 n ARG 38 Ca 0.07 -0.82 0.00 0.00 -0.01 0.00 0.00 57.85 57.09 1u57 n ARG 38 Cb 0.16 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1u57 n ARG 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u57 n GLY 39 N 1.88 0.00 0.13 -0.13 0.00 -1.06 -4.94 105.19 101.06 1u57 n GLY 39 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 1u57 n GLY 39 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1u57 h ASN 40 N 0.00 -0.17 -0.42 1.61 -1.07 -1.12 -0.54 115.58 113.87 1u57 h ASN 40 Ca 0.00 0.07 0.06 0.00 0.07 0.00 0.00 56.30 56.50 1u57 h ASN 40 Cb 0.00 0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.33 1u57 h ASN 40 CO 0.00 -0.05 0.10 -0.26 0.07 0.00 0.00 177.43 177.28 1u57 h PHE 41 N 0.04 0.16 -0.21 4.14 0.04 -1.90 -0.26 116.94 118.96 1u57 h PHE 41 Ca 0.13 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1u57 h PHE 41 Cb 0.18 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1u57 h PHE 41 CO -0.23 0.03 0.06 -0.09 -0.60 0.00 0.00 178.31 177.47 1u57 h ARG 42 N 0.23 0.33 -0.59 1.51 9.65 -1.86 -3.24 114.38 120.40 1u57 h ARG 42 Ca 0.20 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1u57 h ARG 42 Cb 0.24 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 1u57 h ARG 42 CO -0.25 0.43 0.27 -0.97 2.80 0.00 0.00 179.97 182.25 1u57 h ASN 43 N 0.16 0.78 -3.13 -3.80 -1.24 -0.69 -3.46 115.58 104.20 1u57 h ASN 43 Ca 0.07 -0.14 -0.50 0.00 0.71 0.00 0.00 56.30 56.43 1u57 h ASN 43 Cb 0.25 -0.20 0.22 0.00 0.73 0.00 0.00 38.32 39.32 1u57 h ASN 43 CO -0.00 0.70 -0.62 0.00 -1.29 0.00 0.00 177.43 176.23 1u57 n GLN 44 N -4.52 -0.90 -3.54 6.67 1.13 -0.15 -4.00 117.38 112.07 1u57 n GLN 44 Ca 0.03 -0.23 -0.19 0.00 -1.94 0.00 0.00 57.00 54.67 1u57 n GLN 44 Cb 0.13 -1.88 0.06 0.00 0.11 0.00 0.00 30.24 28.66 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 -2.33 -5.08 -2.03 -1.09 5.12 -1.26 -4.91 116.66 105.07 1u57 n ARG 45 Ca 0.05 0.73 -0.38 0.00 -1.93 0.00 0.00 57.85 56.32 1u57 n ARG 45 Cb 0.56 -5.47 0.01 0.00 -1.16 0.00 0.00 32.46 26.40 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 -4.09 3.64 -2.20 5.56 4.81 -1.26 -4.50 118.16 120.12 1u57 n LYS 46 Ca -0.26 -3.58 -0.06 0.00 -0.87 0.00 0.00 58.31 53.54 1u57 n LYS 46 Cb 0.66 -2.34 0.03 0.00 0.02 0.00 0.00 35.03 33.40 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 0.16 -4.33 -1.04 3.15 2.08 -1.26 -5.25 119.36 112.87 1u57 n ILE 47 Ca 0.52 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1u57 n ILE 47 Cb 0.31 -4.44 0.00 0.00 -0.75 0.00 0.00 39.64 34.76 1u57 n ILE 47 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63