#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 3.39 0.00 3.23 2.12 -1.26 -4.80 118.70 121.39 1u57 s GLU 2 Ca 0.00 -1.55 0.01 0.00 0.36 0.00 0.00 54.97 53.79 1u57 s GLU 2 Cb 0.00 -5.40 0.06 0.00 0.26 0.00 0.00 34.13 29.05 1u57 s GLU 2 CO 0.00 -2.87 0.77 -0.85 -0.54 0.00 0.00 175.26 171.77 1u57 n GLU 3 N 8.44 0.72 -0.01 4.30 0.28 -1.26 -2.55 120.64 130.55 1u57 n GLU 3 Ca 0.46 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 57.29 1u57 n GLU 3 Cb 0.47 -1.02 -0.12 0.00 1.43 0.00 0.00 31.44 32.20 1u57 n GLU 3 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1u57 h MET 4 N 0.00 0.27 -0.08 3.44 4.05 -1.98 -0.84 114.93 119.79 1u57 h MET 4 Ca 0.00 -0.31 -0.07 0.00 -0.28 0.00 0.00 59.70 59.04 1u57 h MET 4 Cb 0.00 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1u57 h MET 4 CO 0.00 1.03 -0.27 0.52 0.23 0.00 0.00 176.91 178.42 1u57 h MET 5 N -0.36 0.14 -0.11 0.39 2.86 -1.79 -0.76 114.93 115.30 1u57 h MET 5 Ca -0.06 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.37 1u57 h MET 5 Cb 1.20 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.86 1u57 h MET 5 CO 0.09 0.41 -0.57 1.15 1.06 0.00 0.00 176.91 179.04 1u57 h THR 6 N 0.12 1.35 0.80 2.22 2.02 -1.65 -2.87 112.91 114.90 1u57 h THR 6 Ca 0.02 -1.87 -0.04 0.00 0.77 0.00 0.00 66.41 65.29 1u57 h THR 6 Cb 0.56 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1u57 h THR 6 CO 0.04 0.57 -0.42 0.00 0.37 0.00 0.00 175.52 176.08 1u57 h ALA 7 N 0.49 -1.13 -0.44 6.16 0.00 -0.95 -2.83 119.26 120.55 1u57 h ALA 7 Ca -0.04 -0.24 -0.72 0.00 0.00 0.00 0.00 54.91 53.91 1u57 h ALA 7 Cb 1.21 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1u57 h ALA 7 CO 0.12 -1.14 2.87 0.00 0.00 0.00 0.00 179.25 181.09 1u57 h GLN 9 N 4.84 0.54 -1.15 0.00 4.15 -1.27 -1.32 115.11 120.91 1u57 h GLN 9 Ca 0.74 -0.03 0.33 0.00 0.77 0.00 0.00 58.65 60.46 1u57 h GLN 9 Cb 0.33 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1u57 h GLN 9 CO 1.60 0.36 0.83 0.78 -1.93 0.00 0.00 178.83 180.47 1u57 h GLY 10 N 0.56 0.00 1.41 2.39 0.00 -1.87 -0.56 103.07 105.01 1u57 h GLY 10 Ca 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.85 1u57 h GLY 10 CO -0.44 0.00 -0.25 -0.24 0.00 0.00 0.00 176.54 175.60 1u57 h VAL 11 N 0.00 1.27 0.00 4.60 3.04 -1.51 -3.45 116.25 120.20 1u57 h VAL 11 Ca 0.55 -1.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1u57 h VAL 11 Cb 2.21 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.78 1u57 h VAL 11 CO -0.01 0.44 0.00 0.61 -1.01 0.00 0.00 177.57 177.61 1u57 n GLY 12 N -0.24 0.00 3.65 3.17 0.00 -0.37 -5.14 105.19 106.26 1u57 n GLY 12 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u57 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u57 s GLY 13 N 0.00 1.59 0.08 -0.02 0.00 -0.36 -4.83 107.32 103.78 1u57 s GLY 13 Ca 0.00 -0.80 -0.36 0.00 0.00 0.00 0.00 44.72 43.55 1u57 s GLY 13 CO 0.00 -0.01 1.56 -0.56 0.00 0.00 0.00 173.10 174.09 1u57 h PRO 14 N -2.29 -1.05 -0.48 2.90 0.13 -1.90 -2.67 132.00 126.65 1u57 h PRO 14 Ca -0.48 0.07 0.09 0.00 -0.87 0.00 0.00 66.00 64.82 1u57 h PRO 14 Cb 1.30 0.24 -0.08 0.00 0.13 0.00 0.00 31.00 32.59 1u57 h PRO 14 CO 0.42 -0.70 -0.01 0.78 -0.23 0.00 0.00 178.00 178.26 1u57 h GLY 15 N -1.09 0.47 -5.77 1.56 0.00 -1.95 -2.52 103.07 93.78 1u57 h GLY 15 Ca -0.08 0.07 -0.74 0.00 0.00 0.00 0.00 47.33 46.58 1u57 h GLY 15 CO -0.00 -0.13 2.41 1.57 0.00 0.00 0.00 176.54 180.39 1u57 n HIS 16 N -5.23 2.65 0.04 5.60 -0.00 -1.03 -0.53 115.22 116.72 1u57 n HIS 16 Ca 0.05 -2.83 0.00 0.00 -0.00 0.00 0.00 57.72 54.94 1u57 n HIS 16 Cb 0.26 -1.89 0.00 0.00 -0.00 0.00 0.00 29.99 28.36 1u57 n HIS 16 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1u57 n LYS 17 N 2.22 0.00 -0.09 1.57 3.00 -0.98 -3.60 118.16 120.28 1u57 n LYS 17 Ca 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.86 1u57 n LYS 17 Cb 0.27 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.46 1u57 n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1u57 h ALA 18 N 0.00 1.10 -0.08 3.14 0.00 -1.17 -0.09 119.26 122.16 1u57 h ALA 18 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1u57 h ALA 18 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1u57 h ALA 18 CO 0.00 0.57 -0.87 -0.09 0.00 0.00 0.00 179.25 178.86 1u57 h ARG 19 N 0.70 0.69 -0.54 0.00 2.43 -1.08 -1.19 114.38 115.39 1u57 h ARG 19 Ca 0.13 -0.63 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1u57 h ARG 19 Cb 0.48 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1u57 h ARG 19 CO 0.02 1.23 0.18 0.28 -1.51 0.00 0.00 179.97 180.18 1u57 h VAL 20 N 0.44 1.23 0.50 0.20 2.07 -1.76 -0.06 116.25 118.87 1u57 h VAL 20 Ca -0.08 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1u57 h VAL 20 Cb 1.50 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1u57 h VAL 20 CO 0.17 0.29 -0.24 0.25 0.02 0.00 0.00 177.57 178.06 1u57 h LEU 21 N 0.75 -0.56 -1.04 2.57 5.85 -1.01 -1.69 115.31 120.18 1u57 h LEU 21 Ca 0.18 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.11 1u57 h LEU 21 Cb 0.26 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 1u57 h LEU 21 CO -0.01 -0.38 0.61 0.00 -0.34 0.00 0.00 178.44 178.32 1u57 h ALA 22 N -0.21 1.75 -0.27 1.25 0.00 -0.94 0.36 119.26 121.20 1u57 h ALA 22 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u57 h ALA 22 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u57 h ALA 22 CO 0.11 -0.15 0.11 1.49 0.00 0.00 0.00 179.25 180.81 1u57 h GLU 23 N 0.68 0.41 -0.14 0.00 4.81 -0.80 -2.37 114.58 117.16 1u57 h GLU 23 Ca 0.60 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.64 1u57 h GLU 23 Cb 1.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1u57 h GLU 23 CO -0.40 0.43 -0.42 0.00 -0.73 0.00 0.00 179.01 177.89 1u57 h ALA 24 N 0.96 1.02 0.00 2.92 0.00 -0.06 -1.36 119.26 122.73 1u57 h ALA 24 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u57 h ALA 24 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u57 h ALA 24 CO -0.01 0.61 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 1u57 n MET 25 N -4.02 0.98 -0.06 0.00 2.81 0.11 -0.54 117.12 116.39 1u57 n MET 25 Ca -0.02 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.80 1u57 n MET 25 Cb 0.50 -1.18 -0.07 0.00 -0.71 0.00 0.00 33.22 31.75 1u57 n MET 25 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1u57 n SER 26 N -0.68 2.63 0.00 7.83 7.64 -0.80 -4.43 113.62 125.81 1u57 n SER 26 Ca 0.08 -0.04 -0.19 0.00 1.01 0.00 0.00 58.87 59.73 1u57 n SER 26 Cb 0.04 0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.31 1u57 n SER 26 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1u57 h GLN 27 N 0.00 0.20 -0.03 1.43 4.15 -0.93 -1.46 115.11 118.46 1u57 h GLN 27 Ca -0.31 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 58.77 1u57 h GLN 27 Cb 1.57 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 29.39 1u57 h GLN 27 CO -0.02 1.16 0.00 0.28 -1.93 0.00 0.00 178.83 178.32 1u57 h VAL 28 N -0.54 1.23 -0.58 2.39 2.07 -1.09 -1.28 116.25 118.45 1u57 h VAL 28 Ca -0.16 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 66.75 1u57 h VAL 28 Cb 1.50 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1u57 h VAL 28 CO 0.07 0.19 0.39 0.74 0.02 0.00 0.00 177.57 178.98 1u57 h THR 29 N -0.23 0.90 -0.25 2.57 2.02 -1.74 -0.82 112.91 115.36 1u57 h THR 29 Ca 0.01 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 1u57 h THR 29 Cb 0.30 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1u57 h THR 29 CO 0.00 0.07 -0.44 -1.13 0.37 0.00 0.00 175.52 174.39 1u57 h ASN 30 N 0.40 0.83 -0.76 4.18 -1.24 -0.83 -0.29 115.58 117.87 1u57 h ASN 30 Ca 0.27 -0.53 -0.00 0.00 0.71 0.00 0.00 56.30 56.75 1u57 h ASN 30 Cb 0.52 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1u57 h ASN 30 CO -0.07 1.20 0.48 -1.28 -1.29 0.00 0.00 177.43 176.47 1u57 h SER 31 N 0.48 0.91 0.83 1.15 0.87 -0.05 0.51 113.55 118.25 1u57 h SER 31 Ca 0.02 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1u57 h SER 31 Cb 1.05 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1u57 h SER 31 CO 0.10 0.69 -0.44 0.00 -0.53 0.00 0.00 176.83 176.65 1u57 h ALA 32 N 1.47 0.97 -0.07 6.23 0.00 -1.10 -2.50 119.26 124.26 1u57 h ALA 32 Ca 0.28 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1u57 h ALA 32 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u57 h ALA 32 CO -0.05 0.54 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 1u57 h THR 33 N 0.00 1.28 -0.01 0.00 1.03 0.86 -0.50 112.91 115.56 1u57 h THR 33 Ca -0.00 -1.33 -0.05 0.00 -0.01 0.00 0.00 66.41 65.01 1u57 h THR 33 Cb 0.97 1.62 -0.01 0.00 -1.07 0.00 0.00 68.15 69.66 1u57 h THR 33 CO 0.06 0.39 -0.23 0.40 -0.01 0.00 0.00 175.52 176.13 1u57 h ILE 34 N 0.13 1.17 -0.10 0.00 1.08 -0.57 -0.11 117.51 119.11 1u57 h ILE 34 Ca 0.01 -0.81 -0.15 0.00 -0.39 0.00 0.00 64.86 63.53 1u57 h ILE 34 Cb 0.70 1.42 0.01 0.00 -3.07 0.00 0.00 36.82 35.88 1u57 h ILE 34 CO 0.05 0.23 -0.51 0.24 -0.69 0.00 0.00 178.15 177.48 1u57 h MET 35 N 0.01 0.52 -0.48 2.37 2.86 -1.12 -1.08 114.93 118.01 1u57 h MET 35 Ca 0.00 -0.42 -0.08 0.00 -2.06 0.00 0.00 59.70 57.13 1u57 h MET 35 Cb 0.41 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1u57 h MET 35 CO 0.03 1.05 -0.04 0.00 1.06 0.00 0.00 176.91 179.02 1u57 h MET 36 N 0.11 0.83 -0.77 1.72 -0.00 -0.85 -1.73 114.93 114.24 1u57 h MET 36 Ca -0.04 -0.25 -0.01 0.00 -0.00 0.00 0.00 59.70 59.41 1u57 h MET 36 Cb 1.15 -0.08 -0.04 0.00 -0.00 0.00 0.00 31.60 32.63 1u57 h MET 36 CO 0.10 0.85 0.43 0.37 -0.00 0.00 0.00 176.91 178.66 1u57 h GLN 37 N 0.76 1.07 -4.59 -0.10 4.15 -1.06 -1.50 115.11 113.83 1u57 h GLN 37 Ca 0.14 -0.12 -0.65 0.00 0.77 0.00 0.00 58.65 58.78 1u57 h GLN 37 Cb 0.51 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1u57 h GLN 37 CO 0.03 0.79 2.56 0.54 -1.93 0.00 0.00 178.83 180.81 1u57 n ARG 38 N -4.45 2.44 0.00 1.69 3.00 -0.41 -1.95 116.66 116.98 1u57 n ARG 38 Ca 0.07 -2.51 0.00 0.00 -0.01 0.00 0.00 57.85 55.40 1u57 n ARG 38 Cb 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 32.46 29.28 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 4.60 1.93 0.32 -0.13 0.00 -1.23 -4.88 105.19 105.80 1u57 n GLY 39 Ca 0.50 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 1u57 n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1u57 h ASN 40 N 0.12 -0.97 -2.97 1.61 -0.73 -0.59 -3.36 115.58 108.68 1u57 h ASN 40 Ca 0.00 0.17 -0.57 0.00 1.87 0.00 0.00 56.30 57.77 1u57 h ASN 40 Cb 0.00 0.45 -0.04 0.00 0.27 0.00 0.00 38.32 39.00 1u57 h ASN 40 CO 0.00 -0.31 1.09 0.72 -0.37 0.00 0.00 177.43 178.56 1u57 s PHE 41 N -6.03 2.29 0.32 0.67 -0.12 -1.13 -4.41 117.98 109.57 1u57 s PHE 41 Ca -0.15 0.67 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 1u57 s PHE 41 Cb 0.13 -4.06 0.00 0.00 -0.63 0.00 0.00 43.02 38.46 1u57 s PHE 41 CO 0.68 -2.40 0.00 -2.13 -0.05 0.00 0.00 175.22 171.32 1u57 n ARG 42 N 7.76 0.00 -0.00 1.99 0.00 -1.26 -4.92 116.66 120.24 1u57 n ARG 42 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.06 1u57 n ARG 42 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.88 1u57 n ARG 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1u57 n ASN 43 N -3.24 0.66 -4.40 6.15 5.15 -1.26 -5.09 115.26 113.24 1u57 n ASN 43 Ca 0.00 -0.60 -0.33 0.00 -0.60 0.00 0.00 54.58 53.05 1u57 n ASN 43 Cb 0.00 1.04 0.11 0.00 -0.53 0.00 0.00 39.78 40.40 1u57 n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u57 n GLN 44 N -1.24 -0.24 -3.49 1.20 1.13 -1.26 -3.96 117.38 109.51 1u57 n GLN 44 Ca 0.01 -0.03 -0.18 0.00 -1.94 0.00 0.00 57.00 54.86 1u57 n GLN 44 Cb 0.12 -1.82 0.02 0.00 0.11 0.00 0.00 30.24 28.68 1u57 n GLN 44 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1u57 n ARG 45 N -1.45 -1.38 -1.61 -1.09 0.00 -1.26 -4.87 116.66 105.00 1u57 n ARG 45 Ca 0.06 0.91 -0.30 0.00 -0.00 0.00 0.00 57.85 58.53 1u57 n ARG 45 Cb 0.53 -4.18 -0.04 0.00 0.00 0.00 0.00 32.46 28.77 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1u57 n LYS 46 N -2.86 2.86 -2.46 -0.14 4.81 -1.25 -4.59 118.16 114.53 1u57 n LYS 46 Ca -0.13 -2.62 -0.00 0.00 -0.87 0.00 0.00 58.31 54.69 1u57 n LYS 46 Cb 0.59 -2.24 0.00 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 0.97 -6.70 -1.76 3.15 5.41 -1.26 -5.27 119.36 113.91 1u57 n ILE 47 Ca 0.52 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 64.14 1u57 n ILE 47 Cb 0.48 -5.64 0.00 0.00 -0.71 0.00 0.00 39.64 33.77 1u57 n ILE 47 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10