#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 3.08 0.00 3.23 4.71 -1.26 -4.75 120.64 125.65 1u57 n GLU 2 Ca 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 57.16 54.72 1u57 n GLU 2 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 31.44 27.33 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1u57 n GLU 3 N 5.27 0.78 0.07 3.49 0.28 -1.26 -3.30 120.64 125.97 1u57 n GLU 3 Ca 0.61 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.48 1u57 n GLU 3 Cb 0.33 -1.10 -0.09 0.00 1.43 0.00 0.00 31.44 32.02 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 0.06 -0.18 -0.69 3.44 2.86 -1.99 -0.99 114.93 117.44 1u57 h MET 4 Ca 0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1u57 h MET 4 Cb 0.10 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1u57 h MET 4 CO 0.00 0.16 0.37 0.52 1.06 0.00 0.00 176.91 179.02 1u57 h MET 5 N -0.55 0.95 -0.34 1.72 2.86 -1.84 0.03 114.93 117.77 1u57 h MET 5 Ca -0.02 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1u57 h MET 5 Cb 0.43 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1u57 h MET 5 CO 0.03 0.71 -0.14 1.15 1.06 0.00 0.00 176.91 179.72 1u57 h THR 6 N 0.96 1.25 0.00 2.22 2.02 -1.72 -2.81 112.91 114.83 1u57 h THR 6 Ca 0.24 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1u57 h THR 6 Cb 0.04 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1u57 h THR 6 CO -0.04 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.22 1u57 n ALA 7 N -2.48 -0.10 -2.24 6.16 0.00 -0.39 -4.42 120.51 117.04 1u57 n ALA 7 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1u57 n ALA 7 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1u57 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u57 n GLN 9 N 2.77 2.05 -2.75 0.00 6.02 -1.06 -2.29 117.38 122.12 1u57 n GLN 9 Ca 0.48 0.67 -0.10 0.00 -0.01 0.00 0.00 57.00 58.05 1u57 n GLN 9 Cb 0.31 -2.88 0.05 0.00 1.02 0.00 0.00 30.24 28.74 1u57 n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u57 n GLY 10 N 5.25 -0.15 0.32 1.08 0.00 -1.26 -4.95 105.19 105.48 1u57 n GLY 10 Ca 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.97 1.24 -1.01 1.61 3.04 -1.85 -2.16 116.25 116.15 1u57 h VAL 11 Ca -0.36 -0.78 -0.65 0.00 -1.01 0.00 0.00 66.70 63.90 1u57 h VAL 11 Cb 1.20 0.48 -0.28 0.00 -2.01 0.00 0.00 31.29 30.69 1u57 h VAL 11 CO 0.29 0.31 0.85 0.61 -1.01 0.00 0.00 177.57 178.61 1u57 n GLY 12 N -0.92 5.70 3.78 3.17 0.00 -1.26 -5.01 105.19 110.65 1u57 n GLY 12 Ca 0.05 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.61 1.66 0.00 -0.02 0.00 -0.82 -5.02 107.32 101.51 1u57 s GLY 13 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1u57 s GLY 13 CO -0.03 0.48 0.65 -1.55 0.00 0.00 0.00 173.10 172.64 1u57 n PRO 14 N -3.44 0.00 0.00 2.90 -0.04 -1.26 -4.86 135.00 128.30 1u57 n PRO 14 Ca 0.08 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1u57 n PRO 14 Cb 0.54 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1u57 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u57 n GLY 15 N -0.34 1.22 0.05 0.55 0.00 -1.26 -3.71 105.19 101.70 1u57 n GLY 15 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1u57 n GLY 15 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1u57 n HIS 16 N 0.00 0.00 0.28 1.61 -0.00 -1.26 -4.03 115.22 111.82 1u57 n HIS 16 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1u57 n HIS 16 Cb 0.00 -0.44 0.81 0.00 -0.00 0.00 0.00 29.99 30.36 1u57 n HIS 16 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1u57 h LYS 17 N 0.00 0.00 -0.20 1.57 3.64 -1.94 0.25 116.57 119.89 1u57 h LYS 17 Ca -0.25 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1u57 h LYS 17 Cb 1.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1u57 h LYS 17 CO -0.02 0.04 -0.03 0.00 -2.27 0.00 0.00 179.45 177.17 1u57 h ALA 18 N 1.96 0.27 -0.24 5.00 0.00 -1.84 -1.56 119.26 122.85 1u57 h ALA 18 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1u57 h ALA 18 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1u57 h ALA 18 CO 0.01 0.03 -0.14 -0.09 0.00 0.00 0.00 179.25 179.06 1u57 h ARG 19 N 0.11 0.52 -0.41 0.00 9.65 -1.25 -1.40 114.38 121.59 1u57 h ARG 19 Ca 0.05 -0.24 -0.13 0.00 -1.10 0.00 0.00 59.98 58.57 1u57 h ARG 19 Cb 0.46 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1u57 h ARG 19 CO 0.02 0.80 -0.25 -0.24 2.80 0.00 0.00 179.97 183.09 1u57 h VAL 20 N 0.24 1.27 0.12 0.20 3.04 -0.65 -0.88 116.25 119.59 1u57 h VAL 20 Ca 0.05 -1.40 -0.01 0.00 -1.01 0.00 0.00 66.70 64.34 1u57 h VAL 20 Cb 0.65 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1u57 h VAL 20 CO 0.04 0.47 -0.06 0.25 -1.01 0.00 0.00 177.57 177.26 1u57 h LEU 21 N 0.73 -0.13 -1.13 3.16 5.85 -1.29 -2.18 115.31 120.31 1u57 h LEU 21 Ca 0.09 -0.28 0.18 0.00 0.84 0.00 0.00 57.88 58.71 1u57 h LEU 21 Cb 0.80 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.77 1u57 h LEU 21 CO 0.07 0.22 0.61 0.00 -0.34 0.00 0.00 178.44 179.00 1u57 h ALA 22 N 0.32 1.78 -0.34 1.25 0.00 -0.97 0.38 119.26 121.68 1u57 h ALA 22 Ca -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1u57 h ALA 22 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1u57 h ALA 22 CO 0.03 -0.11 0.06 1.49 0.00 0.00 0.00 179.25 180.72 1u57 h GLU 23 N 0.72 0.56 -0.21 0.00 4.57 -1.10 -1.70 114.58 117.41 1u57 h GLU 23 Ca 0.54 -0.15 -0.20 0.00 -1.18 0.00 0.00 59.36 58.38 1u57 h GLU 23 Cb 0.89 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1u57 h GLU 23 CO -0.31 0.63 -0.64 0.00 -1.18 0.00 0.00 179.01 177.51 1u57 h ALA 24 N 0.90 0.46 0.42 2.92 0.00 -0.46 -2.78 119.26 120.72 1u57 h ALA 24 Ca 0.10 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1u57 h ALA 24 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u57 h ALA 24 CO 0.01 0.69 -0.20 0.52 0.00 0.00 0.00 179.25 180.26 1u57 h MET 25 N 0.56 -0.55 -0.99 0.00 2.86 -0.29 0.14 114.93 116.66 1u57 h MET 25 Ca -0.01 0.04 0.22 0.00 -2.06 0.00 0.00 59.70 57.88 1u57 h MET 25 Cb 1.25 0.12 -0.10 0.00 0.06 0.00 0.00 31.60 32.93 1u57 h MET 25 CO 0.13 -0.29 0.62 0.66 1.06 0.00 0.00 176.91 179.10 1u57 h SER 26 N -0.72 0.60 -0.13 1.22 4.64 -1.36 0.58 113.55 118.39 1u57 h SER 26 Ca -0.06 0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1u57 h SER 26 Cb 0.51 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1u57 h SER 26 CO 0.10 0.19 -0.49 -0.61 -0.87 0.00 0.00 176.83 175.14 1u57 h GLN 27 N 0.57 0.55 0.02 4.77 4.15 -1.14 -1.87 115.11 122.16 1u57 h GLN 27 Ca 0.56 -0.43 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1u57 h GLN 27 Cb 1.15 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1u57 h GLN 27 CO -0.32 1.05 -0.01 0.28 -1.93 0.00 0.00 178.83 177.90 1u57 h VAL 28 N 0.18 1.29 -0.79 2.39 2.07 0.43 -0.37 116.25 121.45 1u57 h VAL 28 Ca -0.03 -1.00 0.10 0.00 0.82 0.00 0.00 66.70 66.59 1u57 h VAL 28 Cb 1.12 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.80 1u57 h VAL 28 CO 0.10 0.26 0.52 0.74 0.02 0.00 0.00 177.57 179.21 1u57 h THR 29 N -0.47 0.94 -0.28 2.57 2.02 -1.05 -0.07 112.91 116.57 1u57 h THR 29 Ca -0.00 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1u57 h THR 29 Cb 0.44 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1u57 h THR 29 CO 0.01 0.13 -0.43 -1.13 0.37 0.00 0.00 175.52 174.47 1u57 h ASN 30 N 0.72 0.87 -0.57 4.18 -1.24 -1.09 0.11 115.58 118.57 1u57 h ASN 30 Ca 0.37 -0.51 -0.01 0.00 0.71 0.00 0.00 56.30 56.85 1u57 h ASN 30 Cb 0.46 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1u57 h ASN 30 CO -0.14 1.21 0.31 -1.28 -1.29 0.00 0.00 177.43 176.24 1u57 h SER 31 N 0.55 0.73 0.37 1.15 0.87 -0.04 0.28 113.55 117.46 1u57 h SER 31 Ca 0.03 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.34 1u57 h SER 31 Cb 1.03 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1u57 h SER 31 CO 0.10 0.60 -0.77 0.00 -0.53 0.00 0.00 176.83 176.23 1u57 h ALA 32 N 1.52 0.59 -0.19 6.23 0.00 -0.96 -2.44 119.26 124.00 1u57 h ALA 32 Ca 0.21 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1u57 h ALA 32 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u57 h ALA 32 CO -0.03 0.80 -0.21 0.00 0.00 0.00 0.00 179.25 179.81 1u57 h THR 33 N 0.21 1.23 -0.72 0.00 1.03 0.08 0.16 112.91 114.89 1u57 h THR 33 Ca -0.04 -1.07 -0.07 0.00 -0.01 0.00 0.00 66.41 65.23 1u57 h THR 33 Cb 1.36 1.32 -0.03 0.00 -1.07 0.00 0.00 68.15 69.73 1u57 h THR 33 CO 0.13 0.33 0.19 0.40 -0.01 0.00 0.00 175.52 176.56 1u57 h ILE 34 N 0.30 1.26 -0.04 0.00 2.04 -0.34 -0.36 117.51 120.39 1u57 h ILE 34 Ca 0.05 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 64.79 1u57 h ILE 34 Cb 0.54 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1u57 h ILE 34 CO 0.04 0.37 -0.70 0.00 0.00 0.00 0.00 178.15 177.86 1u57 h MET 35 N 1.09 0.19 -0.19 2.37 -0.00 -0.87 0.16 114.93 117.69 1u57 h MET 35 Ca 0.23 -0.16 -0.12 0.00 -0.00 0.00 0.00 59.70 59.65 1u57 h MET 35 Cb 0.36 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1u57 h MET 35 CO -0.00 0.82 -0.33 0.00 -0.00 0.00 0.00 176.91 177.39 1u57 h MET 36 N 0.13 0.56 -0.82 -0.10 -0.00 -0.86 -2.98 114.93 110.86 1u57 h MET 36 Ca -0.02 -0.35 0.02 0.00 -0.00 0.00 0.00 59.70 59.35 1u57 h MET 36 Cb 1.25 0.04 -0.04 0.00 -0.00 0.00 0.00 31.60 32.84 1u57 h MET 36 CO 0.11 0.96 0.54 0.37 -0.00 0.00 0.00 176.91 178.89 1u57 h GLN 37 N 0.23 1.03 -5.54 -0.10 4.15 -0.97 -1.13 115.11 112.77 1u57 h GLN 37 Ca 0.01 -0.06 -0.46 0.00 0.77 0.00 0.00 58.65 58.91 1u57 h GLN 37 Cb 0.93 -0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 1u57 h GLN 37 CO 0.08 0.68 1.51 0.54 -1.93 0.00 0.00 178.83 179.71 1u57 n ARG 38 N -4.43 2.14 0.00 1.69 3.00 0.54 -2.36 116.66 117.23 1u57 n ARG 38 Ca 0.10 -2.72 0.00 0.00 -0.01 0.00 0.00 57.85 55.22 1u57 n ARG 38 Cb 0.07 -3.63 0.00 0.00 0.00 0.00 0.00 32.46 28.90 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 5.60 2.35 2.36 -0.13 0.00 -1.24 -4.89 105.19 109.24 1u57 n GLY 39 Ca 0.46 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 8.21 0.00 1.61 4.13 -0.43 -1.68 115.26 127.11 1u57 n ASN 40 Ca 0.00 -2.54 0.00 0.00 1.68 0.00 0.00 54.58 53.72 1u57 n ASN 40 Cb 0.00 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 36.74 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1u57 n PHE 41 N 3.71 -1.13 0.04 3.10 -0.00 -1.06 -4.55 117.46 117.58 1u57 n PHE 41 Ca 0.74 0.02 -0.13 0.00 -0.00 0.00 0.00 57.45 58.09 1u57 n PHE 41 Cb 0.22 0.27 -0.09 0.00 -0.00 0.00 0.00 39.48 39.89 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1u57 h ARG 42 N 0.00 -0.12 -0.17 -4.13 1.12 -1.70 0.71 114.38 110.10 1u57 h ARG 42 Ca 0.00 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 1u57 h ARG 42 Cb 0.00 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1u57 h ARG 42 CO 0.00 0.25 0.04 -0.97 -3.11 0.00 0.00 179.97 176.19 1u57 h ASN 43 N -0.52 0.25 -0.70 -3.80 -1.24 -1.69 -2.52 115.58 105.35 1u57 h ASN 43 Ca -0.01 -0.22 0.12 0.00 0.71 0.00 0.00 56.30 56.90 1u57 h ASN 43 Cb 0.43 -0.07 -0.09 0.00 0.73 0.00 0.00 38.32 39.33 1u57 h ASN 43 CO 0.02 0.40 0.27 1.56 -1.29 0.00 0.00 177.43 178.39 1u57 h GLN 44 N 0.08 0.42 -3.73 6.67 4.20 -1.73 -3.47 115.11 117.55 1u57 h GLN 44 Ca 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1u57 h GLN 44 Cb 0.25 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1u57 h GLN 44 CO -0.00 0.28 -0.07 -2.13 -0.67 0.00 0.00 178.83 176.24 1u57 n ARG 45 N -5.00 -0.47 -1.65 1.46 0.63 0.10 -4.96 116.66 106.77 1u57 n ARG 45 Ca 0.12 0.67 -0.31 0.00 -0.92 0.00 0.00 57.85 57.41 1u57 n ARG 45 Cb 0.36 -2.80 -0.04 0.00 0.45 0.00 0.00 32.46 30.42 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1u57 n LYS 46 N -1.43 3.17 -1.91 -0.14 4.81 -0.38 -4.66 118.16 117.62 1u57 n LYS 46 Ca -0.01 -2.70 -0.01 0.00 -0.87 0.00 0.00 58.31 54.72 1u57 n LYS 46 Cb 0.51 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 1.22 -5.15 -1.41 3.15 -0.00 -1.26 -5.03 119.36 110.87 1u57 n ILE 47 Ca 0.54 0.48 0.00 0.00 -0.00 0.00 0.00 62.75 63.76 1u57 n ILE 47 Cb 0.45 -5.01 0.00 0.00 -0.00 0.00 0.00 39.64 35.08 1u57 n ILE 47 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88