#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 3.30 0.35 1.57 2.02 -1.26 -5.09 117.35 118.24 1v54 s TYR 3 Ca 0.00 -0.03 -0.26 0.00 -0.37 0.00 0.00 57.07 56.41 1v54 s TYR 3 Cb 0.00 -1.85 -0.09 0.00 -0.40 0.00 0.00 41.96 39.62 1v54 s TYR 3 CO 0.00 0.15 1.07 -1.21 -1.57 0.00 0.00 175.55 173.98 1v54 s GLU 4 N -4.15 4.36 0.23 -0.62 0.41 -1.26 -5.06 118.70 112.61 1v54 s GLU 4 Ca 0.40 1.63 0.06 0.00 -0.41 0.00 0.00 54.97 56.65 1v54 s GLU 4 Cb -0.09 -2.81 -0.05 0.00 -1.78 0.00 0.00 34.13 29.39 1v54 s GLU 4 CO 0.32 0.01 -0.07 -1.21 -0.49 0.00 0.00 175.26 173.81 1v54 s GLU 5 N -2.05 1.38 0.00 1.61 2.02 -1.26 -4.57 118.70 115.82 1v54 s GLU 5 Ca 0.52 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1v54 s GLU 5 Cb -0.26 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.02 1v54 s GLU 5 CO 0.33 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.07 1v54 n GLY 6 N -0.44 1.40 3.64 -1.39 0.00 -1.26 -4.74 105.19 102.39 1v54 n GLY 6 Ca -0.07 -2.09 -0.47 0.00 0.00 0.00 0.00 46.02 43.39 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 0.58 1.77 -0.91 1.61 -0.02 -1.26 -1.09 135.00 135.68 1v54 n PRO 7 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1v54 n PRO 7 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.47 0.66 0.00 -1.23 0.00 -1.26 -4.81 105.19 101.02 1v54 n GLY 8 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.01 5.87 -1.28 1.61 4.76 -0.25 -4.59 118.16 122.27 1v54 n LYS 9 Ca 0.00 -0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1v54 n LYS 9 Cb 0.03 -0.64 0.13 0.00 -1.84 0.00 0.00 35.03 32.72 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 -1.09 5.74 -4.07 4.39 6.94 -1.21 -4.65 115.26 121.31 1v54 n ASN 10 Ca 0.00 -3.71 -0.10 0.00 -0.02 0.00 0.00 54.58 50.75 1v54 n ASN 10 Cb 0.04 -0.90 -0.11 0.00 -2.36 0.00 0.00 39.78 36.45 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 -4.08 0.42 -1.56 1.53 -4.36 -1.26 -5.05 121.20 106.83 1v54 s ILE 11 Ca 0.61 -1.39 0.29 0.00 -0.26 0.00 0.00 60.65 59.90 1v54 s ILE 11 Cb 0.49 -0.96 0.59 0.00 1.25 0.00 0.00 42.46 43.83 1v54 s ILE 11 CO 0.05 -0.64 2.03 -0.81 0.24 0.00 0.00 174.94 175.80 1v54 n PRO 12 N 0.88 0.54 -4.44 0.37 -0.04 -1.26 -4.82 135.00 126.23 1v54 n PRO 12 Ca -0.19 0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 1v54 n PRO 12 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.44 2.31 0.05 0.54 -0.12 -1.26 -5.13 117.98 111.93 1v54 s PHE 13 Ca 0.31 -0.34 -0.16 0.00 -0.05 0.00 0.00 56.93 56.70 1v54 s PHE 13 Cb 0.20 -1.08 -0.06 0.00 -0.63 0.00 0.00 43.02 41.44 1v54 s PHE 13 CO 0.42 0.59 0.48 0.45 -0.05 0.00 0.00 175.22 177.11 1v54 s SER 14 N -3.02 6.88 -0.16 1.98 0.15 -1.26 -4.96 113.70 113.30 1v54 s SER 14 Ca 0.25 1.06 0.15 0.00 0.70 0.00 0.00 55.95 58.11 1v54 s SER 14 Cb -0.07 -2.28 0.35 0.00 -1.71 0.00 0.00 66.02 62.30 1v54 s SER 14 CO 0.12 0.26 1.18 1.33 1.20 0.00 0.00 173.24 177.33 1v54 n VAL 15 N 1.55 1.96 -0.11 4.45 0.24 -1.26 -4.62 118.33 120.53 1v54 n VAL 15 Ca -0.11 -2.64 -0.09 0.00 -2.04 0.00 0.00 64.34 59.46 1v54 n VAL 15 Cb 0.52 -0.20 0.06 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.47 0.84 -4.88 7.34 4.57 -1.93 -3.40 114.58 117.59 1v54 h GLU 16 Ca -0.00 -0.35 -0.65 0.00 -1.18 0.00 0.00 59.36 57.18 1v54 h GLU 16 Cb 1.03 -0.03 -0.36 0.00 -0.16 0.00 0.00 28.75 29.22 1v54 h GLU 16 CO 0.00 0.98 -0.84 1.21 -1.18 0.00 0.00 179.01 179.19 1v54 s ASN 17 N -6.75 3.29 0.58 1.04 3.84 -1.26 -5.02 114.94 110.66 1v54 s ASN 17 Ca -0.10 -0.77 0.32 0.00 0.21 0.00 0.00 52.86 52.52 1v54 s ASN 17 Cb 0.13 -1.40 1.79 0.00 -0.55 0.00 0.00 41.25 41.23 1v54 s ASN 17 CO 0.85 -0.06 2.21 0.07 -2.79 0.00 0.00 177.10 177.37 1v54 h LYS 18 N 7.94 0.00 0.21 0.43 2.10 -1.95 -0.19 116.57 125.11 1v54 h LYS 18 Ca -0.38 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.93 1v54 h LYS 18 Cb 1.12 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1v54 h LYS 18 CO 0.57 0.04 -1.64 -1.49 -2.00 0.00 0.00 179.45 174.92 1v54 h TRP 19 N 0.00 0.81 -0.43 0.07 4.06 -1.97 -1.73 115.95 116.76 1v54 h TRP 19 Ca -0.00 -0.59 -0.09 0.00 2.06 0.00 0.00 58.89 60.27 1v54 h TRP 19 Cb 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1v54 h TRP 19 CO 0.00 1.62 -0.09 -0.09 -3.56 0.00 0.00 178.44 176.32 1v54 h ARG 20 N 0.12 0.76 -0.65 0.49 2.43 -1.89 -1.82 114.38 113.82 1v54 h ARG 20 Ca -0.31 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 1v54 h ARG 20 Cb 2.13 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.58 1v54 h ARG 20 CO 0.22 0.83 0.35 1.25 -1.51 0.00 0.00 179.97 181.11 1v54 h LEU 21 N 0.69 0.81 -0.92 3.80 5.85 -1.08 -1.19 115.31 123.28 1v54 h LEU 21 Ca 0.12 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1v54 h LEU 21 Cb 0.56 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1v54 h LEU 21 CO 0.03 0.67 0.60 0.25 -0.34 0.00 0.00 178.44 179.66 1v54 h LEU 22 N 0.88 1.06 -0.37 2.25 5.85 -0.79 -0.15 115.31 124.04 1v54 h LEU 22 Ca 0.23 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1v54 h LEU 22 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1v54 h LEU 22 CO -0.04 0.77 0.12 0.00 -0.34 0.00 0.00 178.44 178.96 1v54 h ALA 23 N 1.33 0.48 -0.02 1.25 0.00 -0.88 -0.89 119.26 120.54 1v54 h ALA 23 Ca 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1v54 h ALA 23 Cb -0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1v54 h ALA 23 CO -0.07 0.11 0.01 0.52 0.00 0.00 0.00 179.25 179.82 1v54 h MET 24 N 0.45 0.03 -0.42 0.00 2.86 -0.56 -1.63 114.93 115.66 1v54 h MET 24 Ca 0.12 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1v54 h MET 24 Cb 0.24 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1v54 h MET 24 CO -0.01 0.07 0.13 0.52 1.06 0.00 0.00 176.91 178.68 1v54 h MET 25 N -0.03 0.61 -0.23 1.72 2.07 -1.01 0.58 114.93 118.65 1v54 h MET 25 Ca 0.01 -0.10 -0.04 0.00 -2.07 0.00 0.00 59.70 57.50 1v54 h MET 25 Cb 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.67 1v54 h MET 25 CO -0.00 0.55 0.00 1.15 1.07 0.00 0.00 176.91 179.68 1v54 h THR 26 N 0.61 1.25 -0.30 2.22 2.02 -0.93 -0.40 112.91 117.37 1v54 h THR 26 Ca 0.14 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1v54 h THR 26 Cb 0.19 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1v54 h THR 26 CO -0.01 0.27 -0.01 -0.07 0.37 0.00 0.00 175.52 176.07 1v54 h LEU 27 N 0.18 0.53 0.46 2.58 3.38 -1.04 0.17 115.31 121.57 1v54 h LEU 27 Ca 0.07 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1v54 h LEU 27 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1v54 h LEU 27 CO 0.01 0.72 -0.27 0.15 0.09 0.00 0.00 178.44 179.14 1v54 h PHE 28 N 0.32 -0.71 -0.14 1.13 3.57 -0.80 -0.32 116.94 119.99 1v54 h PHE 28 Ca 0.08 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1v54 h PHE 28 Cb 0.45 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1v54 h PHE 28 CO 0.04 -0.41 -0.37 0.74 -2.23 0.00 0.00 178.31 176.08 1v54 h PHE 29 N -0.68 0.35 -0.44 0.41 -1.00 -1.17 -2.97 116.94 111.44 1v54 h PHE 29 Ca -0.06 -0.09 -0.10 0.00 2.81 0.00 0.00 57.97 60.53 1v54 h PHE 29 Cb 0.54 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1v54 h PHE 29 CO 0.02 0.63 -0.13 0.78 -1.61 0.00 0.00 178.31 178.00 1v54 h GLY 30 N 1.14 0.93 1.16 -1.45 0.00 -0.68 -2.21 103.07 101.97 1v54 h GLY 30 Ca 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 1v54 h GLY 30 CO 0.06 0.72 0.28 1.48 0.00 0.00 0.00 176.54 179.08 1v54 h SER 31 N 0.69 0.98 -0.07 0.19 4.64 -0.97 -0.45 113.55 118.56 1v54 h SER 31 Ca 0.11 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1v54 h SER 31 Cb 0.68 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1v54 h SER 31 CO 0.05 0.88 0.03 1.23 -0.87 0.00 0.00 176.83 178.15 1v54 h GLY 32 N 1.10 0.11 1.53 -0.77 0.00 -1.39 -1.72 103.07 101.93 1v54 h GLY 32 Ca 0.24 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 1v54 h GLY 32 CO -0.02 0.06 -0.17 -2.75 0.00 0.00 0.00 176.54 173.66 1v54 h PHE 33 N -0.03 0.61 -0.02 5.60 3.57 -1.22 -3.12 116.94 122.34 1v54 h PHE 33 Ca 0.02 -0.11 -0.18 0.00 3.53 0.00 0.00 57.97 61.23 1v54 h PHE 33 Cb 0.15 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1v54 h PHE 33 CO -0.02 0.70 -0.79 0.00 -2.23 0.00 0.00 178.31 175.96 1v54 h ALA 34 N 1.31 0.63 -0.68 2.41 0.00 -0.98 -3.38 119.26 118.58 1v54 h ALA 34 Ca 0.08 -0.67 0.13 0.00 0.00 0.00 0.00 54.91 54.45 1v54 h ALA 34 Cb 0.58 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 1v54 h ALA 34 CO 0.04 0.87 -0.28 0.00 0.00 0.00 0.00 179.25 179.88 1v54 h ALA 35 N 1.05 0.18 -1.00 0.00 0.00 -1.24 -1.22 119.26 117.03 1v54 h ALA 35 Ca -0.03 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1v54 h ALA 35 Cb 1.39 0.72 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 1v54 h ALA 35 CO 0.12 -0.57 0.66 -1.35 0.00 0.00 0.00 179.25 178.11 1v54 h PRO 36 N -0.09 1.23 -0.81 0.00 0.11 -1.76 -1.04 132.00 129.65 1v54 h PRO 36 Ca 0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1v54 h PRO 36 Cb 0.55 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1v54 h PRO 36 CO -0.74 0.82 0.48 0.74 -0.21 0.00 0.00 178.00 179.09 1v54 h PHE 37 N 1.27 1.07 0.00 0.65 -1.00 -1.46 -0.44 116.94 117.03 1v54 h PHE 37 Ca 0.40 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.11 1v54 h PHE 37 Cb -0.00 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 1v54 h PHE 37 CO -0.00 0.72 -0.32 0.74 -1.61 0.00 0.00 178.31 177.84 1v54 h PHE 38 N 1.11 0.00 0.00 -0.55 -1.00 -0.95 -0.97 116.94 114.58 1v54 h PHE 38 Ca 0.29 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.80 1v54 h PHE 38 Cb -0.03 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.55 1v54 h PHE 38 CO -0.00 0.32 -1.05 0.82 -1.61 0.00 0.00 178.31 176.79 1v54 h ILE 39 N 0.00 1.29 -0.57 -0.55 2.04 -0.79 -0.92 117.51 118.01 1v54 h ILE 39 Ca -0.00 -2.27 -0.00 0.00 1.00 0.00 0.00 64.86 63.58 1v54 h ILE 39 Cb 0.92 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 1v54 h ILE 39 CO 0.04 0.70 0.34 0.58 0.00 0.00 0.00 178.15 179.81 1v54 h VAL 40 N 0.38 1.17 -0.81 1.67 2.07 -0.83 0.15 116.25 120.07 1v54 h VAL 40 Ca -0.13 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1v54 h VAL 40 Cb 1.70 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1v54 h VAL 40 CO 0.20 0.18 0.44 -0.09 0.02 0.00 0.00 177.57 178.32 1v54 h ARG 41 N 0.77 1.13 -0.48 1.57 2.43 -1.13 -1.39 114.38 117.27 1v54 h ARG 41 Ca 0.20 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1v54 h ARG 41 Cb -0.00 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1v54 h ARG 41 CO -0.04 0.83 0.28 1.25 -1.51 0.00 0.00 179.97 180.78 1v54 h HIS 42 N 1.12 0.65 -0.19 2.20 2.76 -0.25 -1.56 115.15 119.88 1v54 h HIS 42 Ca 0.28 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1v54 h HIS 42 Cb 0.04 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1v54 h HIS 42 CO 0.00 0.47 -0.21 1.96 -1.30 0.00 0.00 177.93 178.85 1v54 h GLN 43 N 0.64 0.34 -0.05 5.26 1.08 -0.67 -2.95 115.11 118.75 1v54 h GLN 43 Ca 0.17 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.09 1v54 h GLN 43 Cb 0.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1v54 h GLN 43 CO -0.03 0.54 -0.73 -0.07 -0.95 0.00 0.00 178.83 177.59 1v54 h LEU 44 N 0.31 0.34 -1.04 1.46 3.38 -0.94 -3.24 115.31 115.59 1v54 h LEU 44 Ca 0.05 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1v54 h LEU 44 Cb 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1v54 h LEU 44 CO 0.04 0.96 0.00 0.18 0.09 0.00 0.00 178.44 179.70 1v54 n LEU 45 N -3.80 1.51 -0.13 1.67 4.77 -0.61 -3.75 117.00 116.65 1v54 n LEU 45 Ca -0.03 -0.75 -0.20 0.00 -0.03 0.00 0.00 56.01 54.99 1v54 n LEU 45 Cb 0.70 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1v54 n LEU 45 CO 0.47 0.36 -1.35 0.29 -1.33 0.00 0.00 177.39 175.83 1v54 n LYS 46 N 0.28 0.64 0.00 3.23 5.02 -1.17 -5.06 118.16 121.10 1v54 n LYS 46 Ca 0.09 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1v54 n LYS 46 Cb 0.25 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1v54 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05