#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s TYR 3 N 0.00 3.24 0.37 1.57 2.02 -1.26 -5.08 117.35 118.20 1v54 s TYR 3 Ca 0.00 0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.84 1v54 s TYR 3 Cb 0.00 -2.47 -0.09 0.00 -0.40 0.00 0.00 41.96 39.00 1v54 s TYR 3 CO 0.00 -0.53 1.08 -1.21 -1.57 0.00 0.00 175.55 173.32 1v54 s GLU 4 N -4.72 4.27 0.15 -0.62 0.41 -1.26 -5.06 118.70 111.87 1v54 s GLU 4 Ca 0.50 1.63 0.05 0.00 -0.41 0.00 0.00 54.97 56.74 1v54 s GLU 4 Cb -0.10 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1v54 s GLU 4 CO 0.41 -0.07 -0.10 -1.21 -0.49 0.00 0.00 175.26 173.79 1v54 s GLU 5 N -2.19 1.07 0.00 1.61 2.02 -1.26 -4.58 118.70 115.36 1v54 s GLU 5 Ca 0.54 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1v54 s GLU 5 Cb -0.26 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.34 1v54 s GLU 5 CO 0.32 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.09 1v54 n GLY 6 N -0.20 1.70 3.63 -1.39 0.00 -1.26 -4.76 105.19 102.92 1v54 n GLY 6 Ca -0.10 -2.09 -0.47 0.00 0.00 0.00 0.00 46.02 43.35 1v54 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1v54 n PRO 7 N 0.45 1.70 -0.91 1.61 -0.02 -1.26 -0.98 135.00 135.58 1v54 n PRO 7 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1v54 n PRO 7 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1v54 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v54 n GLY 8 N 2.42 0.74 0.02 -1.23 0.00 -1.26 -4.81 105.19 101.07 1v54 n GLY 8 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1v54 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v54 n LYS 9 N -2.03 5.17 -1.26 1.61 4.76 -0.16 -4.61 118.16 121.65 1v54 n LYS 9 Ca 0.00 -0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.09 1v54 n LYS 9 Cb 0.01 -0.69 0.14 0.00 -1.84 0.00 0.00 35.03 32.65 1v54 n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1v54 n ASN 10 N -0.90 5.04 -4.09 4.39 6.94 -1.21 -4.61 115.26 120.83 1v54 n ASN 10 Ca 0.01 -3.69 -0.12 0.00 -0.02 0.00 0.00 54.58 50.76 1v54 n ASN 10 Cb 0.05 -0.86 -0.11 0.00 -2.36 0.00 0.00 39.78 36.50 1v54 n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1v54 s ILE 11 N -3.86 0.53 -1.33 1.53 -4.36 -1.26 -5.05 121.20 107.40 1v54 s ILE 11 Ca 0.59 -1.34 0.24 0.00 -0.26 0.00 0.00 60.65 59.87 1v54 s ILE 11 Cb 0.48 -0.93 0.37 0.00 1.25 0.00 0.00 42.46 43.63 1v54 s ILE 11 CO 0.06 -0.56 1.78 -0.81 0.24 0.00 0.00 174.94 175.65 1v54 n PRO 12 N 0.98 0.26 -4.43 0.37 -0.04 -1.26 -4.80 135.00 126.08 1v54 n PRO 12 Ca -0.19 0.07 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 1v54 n PRO 12 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1v54 n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1v54 s PHE 13 N -2.67 2.36 0.01 0.54 -0.12 -1.26 -5.13 117.98 111.70 1v54 s PHE 13 Ca 0.20 -0.32 -0.13 0.00 -0.05 0.00 0.00 56.93 56.64 1v54 s PHE 13 Cb 0.16 -1.06 -0.05 0.00 -0.63 0.00 0.00 43.02 41.44 1v54 s PHE 13 CO 0.38 0.66 0.37 0.45 -0.05 0.00 0.00 175.22 177.03 1v54 s SER 14 N -3.34 6.72 -0.18 1.98 0.15 -1.26 -4.96 113.70 112.81 1v54 s SER 14 Ca 0.28 0.86 0.14 0.00 0.70 0.00 0.00 55.95 57.93 1v54 s SER 14 Cb -0.06 -2.21 0.37 0.00 -1.71 0.00 0.00 66.02 62.41 1v54 s SER 14 CO 0.15 0.30 1.19 1.33 1.20 0.00 0.00 173.24 177.41 1v54 n VAL 15 N 1.61 2.04 -0.18 4.45 0.24 -1.26 -4.61 118.33 120.62 1v54 n VAL 15 Ca -0.13 -2.86 -0.10 0.00 -2.04 0.00 0.00 64.34 59.21 1v54 n VAL 15 Cb 0.53 -0.21 0.01 0.00 -1.47 0.00 0.00 33.84 32.70 1v54 n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1v54 h GLU 16 N 0.66 1.04 -4.80 7.34 4.57 -1.93 -3.40 114.58 118.06 1v54 h GLU 16 Ca -0.00 -0.39 -0.64 0.00 -1.18 0.00 0.00 59.36 57.15 1v54 h GLU 16 Cb 1.02 -0.06 -0.36 0.00 -0.16 0.00 0.00 28.75 29.19 1v54 h GLU 16 CO 0.00 1.08 -0.83 1.21 -1.18 0.00 0.00 179.01 179.29 1v54 s ASN 17 N -6.66 3.22 0.62 1.04 3.84 -1.26 -5.01 114.94 110.72 1v54 s ASN 17 Ca -0.11 -0.75 0.39 0.00 0.21 0.00 0.00 52.86 52.60 1v54 s ASN 17 Cb 0.13 -1.34 2.03 0.00 -0.55 0.00 0.00 41.25 41.52 1v54 s ASN 17 CO 0.87 -0.07 2.24 0.07 -2.79 0.00 0.00 177.10 177.42 1v54 h LYS 18 N 7.96 0.00 0.14 0.43 2.10 -1.95 0.05 116.57 125.30 1v54 h LYS 18 Ca -0.36 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.96 1v54 h LYS 18 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1v54 h LYS 18 CO 0.55 0.02 -1.70 -1.49 -2.00 0.00 0.00 179.45 174.82 1v54 h TRP 19 N 0.00 0.54 -0.59 0.07 4.06 -1.97 -2.17 115.95 115.90 1v54 h TRP 19 Ca -0.00 -0.40 -0.09 0.00 2.06 0.00 0.00 58.89 60.46 1v54 h TRP 19 Cb 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 1v54 h TRP 19 CO 0.00 1.54 0.02 -0.09 -3.56 0.00 0.00 178.44 176.35 1v54 h ARG 20 N 0.08 1.00 -0.64 0.49 2.43 -1.86 -1.87 114.38 114.01 1v54 h ARG 20 Ca -0.31 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.54 1v54 h ARG 20 Cb 2.06 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 31.47 1v54 h ARG 20 CO 0.15 0.97 0.31 1.25 -1.51 0.00 0.00 179.97 181.15 1v54 h LEU 21 N 0.92 0.83 -1.15 3.80 5.85 -1.06 -1.17 115.31 123.35 1v54 h LEU 21 Ca 0.17 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1v54 h LEU 21 Cb 0.51 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1v54 h LEU 21 CO 0.02 0.73 0.25 0.25 -0.34 0.00 0.00 178.44 179.35 1v54 h LEU 22 N 0.88 0.77 -0.25 2.25 5.85 -0.97 -0.26 115.31 123.59 1v54 h LEU 22 Ca 0.22 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1v54 h LEU 22 Cb 0.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1v54 h LEU 22 CO -0.03 0.68 0.05 0.00 -0.34 0.00 0.00 178.44 178.80 1v54 h ALA 23 N 1.43 0.33 0.27 1.25 0.00 -0.78 -1.00 119.26 120.77 1v54 h ALA 23 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1v54 h ALA 23 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1v54 h ALA 23 CO -0.02 0.00 -0.33 0.52 0.00 0.00 0.00 179.25 179.43 1v54 h MET 24 N 0.23 -0.62 -0.53 0.00 2.86 -0.63 -1.49 114.93 114.74 1v54 h MET 24 Ca 0.08 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1v54 h MET 24 Cb 0.31 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1v54 h MET 24 CO 0.00 -0.41 0.30 0.52 1.06 0.00 0.00 176.91 178.38 1v54 h MET 25 N -0.65 0.72 -0.29 1.72 2.07 -1.06 0.79 114.93 118.24 1v54 h MET 25 Ca -0.01 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.52 1v54 h MET 25 Cb 0.61 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 1v54 h MET 25 CO -0.09 0.53 0.02 1.15 1.07 0.00 0.00 176.91 179.58 1v54 h THR 26 N 0.74 1.25 -0.26 2.22 2.02 -0.94 -1.02 112.91 116.92 1v54 h THR 26 Ca 0.19 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1v54 h THR 26 Cb 0.00 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1v54 h THR 26 CO -0.03 0.29 -0.04 -0.07 0.37 0.00 0.00 175.52 176.04 1v54 h LEU 27 N 0.31 0.48 0.09 2.58 3.38 -0.97 0.13 115.31 121.31 1v54 h LEU 27 Ca 0.08 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1v54 h LEU 27 Cb 0.40 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1v54 h LEU 27 CO 0.01 0.71 -0.08 0.15 0.09 0.00 0.00 178.44 179.33 1v54 h PHE 28 N 0.24 -0.21 -0.16 1.13 3.57 -0.80 -0.20 116.94 120.53 1v54 h PHE 28 Ca 0.07 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1v54 h PHE 28 Cb 0.49 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1v54 h PHE 28 CO 0.05 -0.11 -0.28 0.74 -2.23 0.00 0.00 178.31 176.48 1v54 h PHE 29 N -0.16 0.33 -0.43 0.41 -1.00 -1.30 -2.99 116.94 111.80 1v54 h PHE 29 Ca -0.01 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 1v54 h PHE 29 Cb 0.14 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1v54 h PHE 29 CO -0.03 0.55 -0.14 0.78 -1.61 0.00 0.00 178.31 177.87 1v54 h GLY 30 N 1.03 0.92 1.10 -1.45 0.00 -0.75 -2.15 103.07 101.77 1v54 h GLY 30 Ca 0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 1v54 h GLY 30 CO 0.05 0.72 0.35 1.48 0.00 0.00 0.00 176.54 179.14 1v54 h SER 31 N 0.67 1.05 -0.13 0.19 4.64 -0.92 -0.20 113.55 118.85 1v54 h SER 31 Ca 0.10 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1v54 h SER 31 Cb 0.69 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1v54 h SER 31 CO 0.05 0.90 0.04 1.23 -0.87 0.00 0.00 176.83 178.19 1v54 h GLY 32 N 1.16 0.21 1.49 -0.77 0.00 -1.42 -1.58 103.07 102.16 1v54 h GLY 32 Ca 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1v54 h GLY 32 CO -0.03 0.11 -0.07 -2.75 0.00 0.00 0.00 176.54 173.80 1v54 h PHE 33 N 0.03 0.66 -0.03 5.60 3.57 -1.19 -3.17 116.94 122.41 1v54 h PHE 33 Ca 0.04 -0.09 -0.20 0.00 3.53 0.00 0.00 57.97 61.25 1v54 h PHE 33 Cb 0.21 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1v54 h PHE 33 CO -0.01 0.67 -0.83 0.00 -2.23 0.00 0.00 178.31 175.92 1v54 h ALA 34 N 1.36 0.53 -0.76 2.41 0.00 -0.90 -3.38 119.26 118.52 1v54 h ALA 34 Ca 0.11 -0.67 0.14 0.00 0.00 0.00 0.00 54.91 54.49 1v54 h ALA 34 Cb 0.47 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 1v54 h ALA 34 CO 0.02 0.82 -0.29 0.00 0.00 0.00 0.00 179.25 179.81 1v54 h ALA 35 N 0.92 0.23 -0.93 0.00 0.00 -1.25 -1.20 119.26 117.03 1v54 h ALA 35 Ca -0.05 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1v54 h ALA 35 Cb 1.43 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 19.92 1v54 h ALA 35 CO 0.14 -0.55 0.61 -1.35 0.00 0.00 0.00 179.25 178.10 1v54 h PRO 36 N -0.06 1.17 -0.62 0.00 0.11 -1.76 -0.79 132.00 130.04 1v54 h PRO 36 Ca 0.32 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1v54 h PRO 36 Cb 0.57 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 1v54 h PRO 36 CO -0.80 0.77 0.34 0.74 -0.21 0.00 0.00 178.00 178.85 1v54 h PHE 37 N 1.20 0.86 0.00 0.65 -1.00 -1.46 -0.45 116.94 116.74 1v54 h PHE 37 Ca 0.36 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 61.06 1v54 h PHE 37 Cb -0.05 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.23 1v54 h PHE 37 CO -0.00 0.62 -0.29 0.74 -1.61 0.00 0.00 178.31 177.76 1v54 h PHE 38 N 0.85 0.00 0.05 -0.55 -1.00 -0.96 -0.81 116.94 114.52 1v54 h PHE 38 Ca 0.22 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.74 1v54 h PHE 38 Cb 0.04 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.61 1v54 h PHE 38 CO -0.01 0.29 -1.07 0.82 -1.61 0.00 0.00 178.31 176.73 1v54 h ILE 39 N 0.00 1.37 -0.60 -0.55 2.04 -0.75 -0.67 117.51 118.35 1v54 h ILE 39 Ca -0.00 -2.51 -0.03 0.00 1.00 0.00 0.00 64.86 63.32 1v54 h ILE 39 Cb 0.86 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.46 1v54 h ILE 39 CO 0.04 0.75 0.25 0.58 0.00 0.00 0.00 178.15 179.77 1v54 h VAL 40 N 0.24 1.23 -0.68 1.67 2.07 -0.78 -0.33 116.25 119.67 1v54 h VAL 40 Ca -0.12 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1v54 h VAL 40 Cb 1.73 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1v54 h VAL 40 CO 0.19 0.27 0.40 -0.09 0.02 0.00 0.00 177.57 178.37 1v54 h ARG 41 N 0.83 0.94 -0.49 1.57 2.43 -1.07 -1.44 114.38 117.14 1v54 h ARG 41 Ca 0.20 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1v54 h ARG 41 Cb 0.19 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1v54 h ARG 41 CO -0.02 0.68 0.28 1.25 -1.51 0.00 0.00 179.97 180.65 1v54 h HIS 42 N 0.93 0.52 -0.23 2.20 2.76 -0.34 -1.40 115.15 119.59 1v54 h HIS 42 Ca 0.24 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.35 1v54 h HIS 42 Cb -0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1v54 h HIS 42 CO -0.01 0.29 -0.20 1.96 -1.30 0.00 0.00 177.93 178.66 1v54 h GLN 43 N 0.56 0.42 0.00 5.26 1.08 -0.65 -2.75 115.11 119.02 1v54 h GLN 43 Ca 0.20 -0.14 -0.15 0.00 -1.45 0.00 0.00 58.65 57.11 1v54 h GLN 43 Cb 0.05 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1v54 h GLN 43 CO -0.11 0.61 -0.73 -0.07 -0.95 0.00 0.00 178.83 177.58 1v54 h LEU 44 N 0.38 0.00 -0.93 1.46 3.38 -0.90 -3.23 115.31 115.47 1v54 h LEU 44 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1v54 h LEU 44 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1v54 h LEU 44 CO 0.04 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.48 1v54 n LEU 45 N -3.59 1.38 -0.12 1.67 4.77 -0.56 -3.73 117.00 116.81 1v54 n LEU 45 Ca -0.01 -0.64 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 1v54 n LEU 45 Cb 0.73 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 1v54 n LEU 45 CO 0.43 0.32 -1.31 0.29 -1.33 0.00 0.00 177.39 175.79 1v54 n LYS 46 N 0.19 0.65 0.00 3.23 5.02 -1.14 -5.06 118.16 121.06 1v54 n LYS 46 Ca 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1v54 n LYS 46 Cb 0.25 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1v54 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05