#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s THR 2 N 0.00 3.75 0.12 9.51 -4.23 -1.26 -5.13 115.64 118.41 1v54 s THR 2 Ca 0.00 -1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 59.20 1v54 s THR 2 Cb 0.00 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.02 1v54 s THR 2 CO 0.00 0.03 0.24 0.00 -0.54 0.00 0.00 174.62 174.35 1v54 s ALA 3 N -1.44 -0.13 0.48 3.99 0.00 -1.26 -5.16 121.76 118.24 1v54 s ALA 3 Ca 0.25 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1v54 s ALA 3 Cb -0.11 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1v54 s ALA 3 CO 0.17 -0.58 0.79 -1.59 0.00 0.00 0.00 175.76 174.55 1v54 s LYS 4 N -3.91 3.55 0.73 0.00 -2.85 -1.26 -5.02 119.74 110.97 1v54 s LYS 4 Ca 0.11 0.21 -0.16 0.00 -1.00 0.00 0.00 55.97 55.13 1v54 s LYS 4 Cb 0.04 -2.38 0.02 0.00 -2.06 0.00 0.00 37.83 33.46 1v54 s LYS 4 CO -0.06 -0.20 1.12 -2.30 0.10 0.00 0.00 175.35 174.01 1v54 n PRO 5 N -2.23 0.58 -1.62 1.78 -0.02 -1.26 -4.88 135.00 127.36 1v54 n PRO 5 Ca 0.01 0.26 -0.48 0.00 -2.02 0.00 0.00 63.50 61.26 1v54 n PRO 5 Cb 0.55 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1v54 n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v54 n ALA 6 N -2.56 0.01 0.13 3.55 0.00 -1.26 -4.89 120.51 115.49 1v54 n ALA 6 Ca 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 54.03 1v54 n ALA 6 Cb 0.49 -2.16 0.17 0.00 0.00 0.00 0.00 19.45 17.95 1v54 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1v54 h LYS 7 N 4.50 0.03 -2.27 0.00 1.57 -2.05 -3.36 116.57 114.99 1v54 h LYS 7 Ca -0.45 -0.02 -0.58 0.00 -1.87 0.00 0.00 60.65 57.73 1v54 h LYS 7 Cb 1.31 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.23 1v54 h LYS 7 CO 0.78 0.63 -0.99 0.25 -0.57 0.00 0.00 179.45 179.55 1v54 n THR 8 N -3.82 -0.78 -1.51 -0.16 -2.24 -1.26 -5.12 114.28 99.39 1v54 n THR 8 Ca -0.01 -3.76 -0.48 0.00 -2.27 0.00 0.00 64.05 57.53 1v54 n THR 8 Cb 0.61 -1.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 1v54 n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1v54 n PRO 9 N 2.24 0.70 -3.63 -0.78 -0.02 -1.26 -4.94 135.00 127.29 1v54 n PRO 9 Ca 0.26 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 1v54 n PRO 9 Cb 0.49 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 1v54 n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1v54 s THR 10 N -0.71 4.00 0.93 3.45 2.01 -1.26 -5.09 115.64 118.97 1v54 s THR 10 Ca 0.67 -1.61 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 1v54 s THR 10 Cb -0.88 -3.54 0.15 0.00 0.01 0.00 0.00 72.50 68.24 1v54 s THR 10 CO 0.56 -0.59 1.09 -0.94 -0.69 0.00 0.00 174.62 174.05 1v54 s SER 11 N 2.18 3.07 0.33 3.53 1.04 -1.26 -4.69 113.70 117.90 1v54 s SER 11 Ca 0.04 1.63 0.07 0.00 0.48 0.00 0.00 55.95 58.17 1v54 s SER 11 Cb -0.24 -2.28 0.75 0.00 0.10 0.00 0.00 66.02 64.35 1v54 s SER 11 CO 0.00 -2.91 1.84 -0.65 0.98 0.00 0.00 173.24 172.50 1v54 h PRO 12 N -1.74 0.75 -0.42 4.02 0.11 -1.99 0.79 132.00 133.52 1v54 h PRO 12 Ca -0.50 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 1v54 h PRO 12 Cb 1.28 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1v54 h PRO 12 CO 0.52 0.49 0.07 -0.22 -0.21 0.00 0.00 178.00 178.65 1v54 h LYS 13 N 0.77 0.69 -0.51 1.05 3.11 -2.00 -0.90 116.57 118.78 1v54 h LYS 13 Ca 0.49 -0.18 -0.06 0.00 -2.81 0.00 0.00 60.65 58.08 1v54 h LYS 13 Cb 0.72 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1v54 h LYS 13 CO -0.25 0.72 0.06 0.93 -2.81 0.00 0.00 179.45 178.11 1v54 h GLU 14 N 0.54 0.82 -0.36 1.90 5.08 -1.40 -2.19 114.58 118.96 1v54 h GLU 14 Ca 0.13 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1v54 h GLU 14 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1v54 h GLU 14 CO 0.01 0.78 -0.26 1.96 -1.00 0.00 0.00 179.01 180.49 1v54 h GLN 15 N 0.77 0.75 -0.84 2.33 4.20 -0.53 -1.51 115.11 120.28 1v54 h GLN 15 Ca 0.16 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1v54 h GLN 15 Cb 0.38 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1v54 h GLN 15 CO 0.01 0.93 0.40 0.00 -0.67 0.00 0.00 178.83 179.50 1v54 h ALA 16 N 1.06 1.09 -0.19 3.87 0.00 -0.90 0.77 119.26 124.95 1v54 h ALA 16 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1v54 h ALA 16 Cb 0.78 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1v54 h ALA 16 CO 0.06 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.84 1v54 h ILE 17 N 1.20 1.21 -0.73 0.00 2.04 -1.08 -0.28 117.51 119.88 1v54 h ILE 17 Ca 0.29 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1v54 h ILE 17 Cb 0.13 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1v54 h ILE 17 CO -0.04 0.21 0.20 1.23 0.00 0.00 0.00 178.15 179.75 1v54 h GLY 18 N 0.12 1.24 0.86 5.37 0.00 -0.92 -0.61 103.07 109.13 1v54 h GLY 18 Ca 0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1v54 h GLY 18 CO 0.00 0.71 -0.03 -2.00 0.00 0.00 0.00 176.54 175.22 1v54 h LEU 19 N 1.10 0.48 -0.20 3.11 5.85 -0.80 -0.24 115.31 124.61 1v54 h LEU 19 Ca 0.23 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1v54 h LEU 19 Cb 0.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1v54 h LEU 19 CO -0.00 0.71 0.11 0.28 -0.34 0.00 0.00 178.44 179.19 1v54 h SER 20 N 0.25 0.25 -0.76 1.25 0.02 -0.92 0.15 113.55 113.78 1v54 h SER 20 Ca 0.07 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1v54 h SER 20 Cb 0.48 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1v54 h SER 20 CO 0.02 0.26 0.35 0.58 -1.14 0.00 0.00 176.83 176.90 1v54 h VAL 21 N 0.22 1.25 0.14 2.27 2.07 -1.08 -0.49 116.25 120.63 1v54 h VAL 21 Ca 0.07 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1v54 h VAL 21 Cb 0.06 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1v54 h VAL 21 CO -0.01 0.30 -0.07 0.74 0.02 0.00 0.00 177.57 178.55 1v54 h THR 22 N 1.08 0.93 -0.97 2.57 2.02 -0.71 -1.13 112.91 116.69 1v54 h THR 22 Ca 0.26 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1v54 h THR 22 Cb 0.14 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1v54 h THR 22 CO -0.03 0.07 0.64 -0.26 0.37 0.00 0.00 175.52 176.31 1v54 h PHE 23 N -0.33 1.21 -0.22 3.16 0.05 -0.79 -2.35 116.94 117.68 1v54 h PHE 23 Ca -0.02 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.72 1v54 h PHE 23 Cb 0.26 -0.41 -0.01 0.00 2.00 0.00 0.00 35.95 37.79 1v54 h PHE 23 CO -0.03 0.75 -0.22 -0.07 -0.18 0.00 0.00 178.31 178.56 1v54 h LEU 24 N 1.29 0.40 -1.83 1.54 3.38 -0.90 -0.54 115.31 118.65 1v54 h LEU 24 Ca 0.36 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1v54 h LEU 24 Cb -0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1v54 h LEU 24 CO -0.09 0.63 -0.14 0.77 0.09 0.00 0.00 178.44 179.70 1v54 h SER 25 N 0.37 0.00 0.06 -0.43 4.64 -0.64 -1.10 113.55 116.44 1v54 h SER 25 Ca 0.06 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.09 1v54 h SER 25 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1v54 h SER 25 CO 0.04 0.14 -1.55 -0.26 -0.87 0.00 0.00 176.83 174.33 1v54 h PHE 26 N 0.00 0.23 -0.09 4.77 -1.00 -1.39 -3.42 116.94 116.04 1v54 h PHE 26 Ca -0.00 -0.17 -0.22 0.00 2.81 0.00 0.00 57.97 60.40 1v54 h PHE 26 Cb 0.32 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.88 1v54 h PHE 26 CO 0.00 1.61 -0.81 -0.07 -1.61 0.00 0.00 178.31 177.43 1v54 h LEU 27 N -0.53 0.75 0.25 1.54 3.38 -0.98 -3.35 115.31 116.37 1v54 h LEU 27 Ca -0.37 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 1v54 h LEU 27 Cb 1.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1v54 h LEU 27 CO -0.07 1.29 -0.12 -0.07 0.09 0.00 0.00 178.44 179.56 1v54 h LEU 28 N 0.40 -0.29 -0.37 1.67 3.38 -1.44 0.37 115.31 119.04 1v54 h LEU 28 Ca -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1v54 h LEU 28 Cb 1.43 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1v54 h LEU 28 CO 0.15 -0.01 0.23 -0.65 0.09 0.00 0.00 178.44 178.26 1v54 h PRO 29 N -0.57 0.49 -0.51 1.13 0.11 -1.80 0.90 132.00 131.75 1v54 h PRO 29 Ca -0.03 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1v54 h PRO 29 Cb 0.42 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1v54 h PRO 29 CO 0.06 0.35 0.13 0.00 -0.21 0.00 0.00 178.00 178.32 1v54 h ALA 30 N 1.12 0.67 -0.92 -0.75 0.00 -1.69 -1.97 119.26 115.72 1v54 h ALA 30 Ca 0.13 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1v54 h ALA 30 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1v54 h ALA 30 CO -0.03 0.37 0.61 0.78 0.00 0.00 0.00 179.25 180.98 1v54 h GLY 31 N 0.71 1.30 0.94 0.00 0.00 -0.49 -0.06 103.07 105.47 1v54 h GLY 31 Ca 0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1v54 h GLY 31 CO 0.00 0.47 -0.05 -0.25 0.00 0.00 0.00 176.54 176.71 1v54 h TRP 32 N 1.25 -0.13 -0.10 5.60 7.01 -0.50 0.05 115.95 129.14 1v54 h TRP 32 Ca 0.34 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.34 1v54 h TRP 32 Cb -0.14 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1v54 h TRP 32 CO -0.01 -0.02 0.04 0.28 -2.79 0.00 0.00 178.44 175.94 1v54 h VAL 33 N -0.20 0.99 -0.41 2.65 2.07 -1.08 -2.06 116.25 118.22 1v54 h VAL 33 Ca -0.01 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1v54 h VAL 33 Cb 0.16 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1v54 h VAL 33 CO 0.02 0.02 0.19 -0.07 0.02 0.00 0.00 177.57 177.75 1v54 h LEU 34 N 0.10 0.51 -0.46 2.57 4.07 -0.92 -2.07 115.31 119.11 1v54 h LEU 34 Ca 0.04 -0.04 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1v54 h LEU 34 Cb 0.01 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1v54 h LEU 34 CO -0.03 0.44 -0.46 0.22 -1.08 0.00 0.00 178.44 177.52 1v54 h TYR 35 N 0.57 0.93 -0.35 1.13 3.20 -0.69 -2.93 116.97 118.83 1v54 h TYR 35 Ca 0.14 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1v54 h TYR 35 Cb 0.07 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1v54 h TYR 35 CO 0.00 1.08 0.00 0.72 -1.64 0.00 0.00 178.16 178.33 1v54 n HIS 36 N -4.02 0.96 -0.21 -3.82 8.25 -0.80 -4.47 115.22 111.12 1v54 n HIS 36 Ca -0.03 -0.36 -0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1v54 n HIS 36 Cb 0.57 -0.22 0.11 0.00 1.12 0.00 0.00 29.99 31.57 1v54 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1v54 h LEU 37 N 2.28 0.33 -0.83 2.41 3.38 -1.20 -1.72 115.31 119.97 1v54 h LEU 37 Ca 0.00 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1v54 h LEU 37 Cb 1.07 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1v54 h LEU 37 CO 0.19 0.20 0.03 -0.78 0.09 0.00 0.00 178.44 178.16 1v54 h ASP 38 N 0.49 0.88 0.15 -0.43 3.58 -1.84 0.45 116.42 119.69 1v54 h ASP 38 Ca 0.31 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1v54 h ASP 38 Cb 0.33 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1v54 h ASP 38 CO -0.27 0.92 -0.05 0.78 -2.88 0.00 0.00 179.24 177.74 1v54 h ASN 39 N 0.85 0.00 0.00 2.28 4.21 -1.66 -2.71 115.58 118.55 1v54 h ASN 39 Ca 0.16 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 1v54 h ASN 39 Cb 0.46 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1v54 h ASN 39 CO 0.02 0.05 -0.62 1.88 -1.29 0.00 0.00 177.43 177.47 1v54 h TYR 40 N 0.00 0.00 -0.92 1.19 0.99 -0.74 -3.38 116.97 114.12 1v54 h TYR 40 Ca -0.00 0.00 0.27 0.00 2.00 0.00 0.00 58.73 60.99 1v54 h TYR 40 Cb 0.14 0.00 -0.16 0.00 1.00 0.00 0.00 36.73 37.72 1v54 h TYR 40 CO 0.00 0.82 0.23 0.87 -0.00 0.00 0.00 178.16 180.09 1v54 h LYS 41 N -1.00 0.14 -3.09 4.88 1.57 -0.67 -3.24 116.57 115.17 1v54 h LYS 41 Ca -0.14 -0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.03 1v54 h LYS 41 Cb 0.87 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.74 1v54 h LYS 41 CO -0.08 0.09 -0.76 0.21 -0.57 0.00 0.00 179.45 178.34 1v54 s LYS 42 N -5.90 1.05 0.00 3.15 2.47 -1.05 -5.11 119.74 114.36 1v54 s LYS 42 Ca -0.12 -1.69 0.00 0.00 -1.56 0.00 0.00 55.97 52.60 1v54 s LYS 42 Cb 0.28 -2.13 0.00 0.00 -1.46 0.00 0.00 37.83 34.52 1v54 s LYS 42 CO 0.77 -1.12 0.00 0.43 0.16 0.00 0.00 175.35 175.59