#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 3.83 0.11 9.51 -4.23 -1.26 -5.12 115.64 118.48 1v54 s THR 2 Ca 0.00 -0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 1v54 s THR 2 Cb 0.00 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1v54 s THR 2 CO 0.00 0.24 0.15 0.00 -0.54 0.00 0.00 174.62 174.47 1v54 s ALA 3 N -1.17 0.18 0.58 3.99 0.00 -1.26 -5.16 121.76 118.92 1v54 s ALA 3 Ca 0.22 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1v54 s ALA 3 Cb -0.11 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1v54 s ALA 3 CO 0.13 -0.52 0.96 0.15 0.00 0.00 0.00 175.76 176.49 1v54 s LYS 4 N -3.94 3.58 0.70 0.00 1.02 -1.26 -5.03 119.74 114.82 1v54 s LYS 4 Ca 0.12 0.60 -0.16 0.00 0.02 0.00 0.00 55.97 56.55 1v54 s LYS 4 Cb 0.05 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1v54 s LYS 4 CO -0.05 -0.47 1.22 -2.14 -0.92 0.00 0.00 175.35 172.99 1v54 s PRO 5 N -5.06 2.28 0.21 -1.68 0.02 -1.26 -4.88 135.00 124.64 1v54 s PRO 5 Ca 0.53 1.80 -0.32 0.00 0.02 0.00 0.00 61.00 63.03 1v54 s PRO 5 Cb -0.11 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 1v54 s PRO 5 CO 0.51 -1.73 1.42 0.00 -0.33 0.00 0.00 177.00 176.87 1v54 n ALA 6 N -2.50 0.86 0.13 -1.55 0.00 -1.26 -4.88 120.51 111.30 1v54 n ALA 6 Ca 0.14 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.99 1v54 n ALA 6 Cb 0.50 -2.25 0.15 0.00 0.00 0.00 0.00 19.45 17.84 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 4.52 0.03 -2.18 0.00 1.57 -2.05 -3.36 116.57 115.10 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 1.28 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.20 1v54 h LYS 7 CO 0.78 0.66 -1.00 0.25 -0.57 0.00 0.00 179.45 179.57 1v54 n THR 8 N -3.79 -0.51 -1.51 -0.16 -2.24 -1.26 -5.12 114.28 99.69 1v54 n THR 8 Ca -0.01 -3.96 -0.48 0.00 -2.27 0.00 0.00 64.05 57.33 1v54 n THR 8 Cb 0.64 -1.88 -0.03 0.00 -2.10 0.00 0.00 70.33 66.95 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 1.84 0.69 -3.67 -0.78 -0.02 -1.26 -4.95 135.00 126.85 1v54 n PRO 9 Ca 0.25 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 1v54 n PRO 9 Cb 0.50 -1.51 -0.11 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.77 3.90 0.89 3.45 2.01 -1.26 -5.09 115.64 118.77 1v54 s THR 10 Ca 0.66 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1v54 s THR 10 Cb -0.87 -3.43 0.13 0.00 0.01 0.00 0.00 72.50 68.34 1v54 s THR 10 CO 0.57 -0.50 1.09 -0.94 -0.69 0.00 0.00 174.62 174.15 1v54 s SER 11 N 1.97 3.48 0.36 3.53 1.04 -1.26 -4.72 113.70 118.11 1v54 s SER 11 Ca 0.03 1.53 0.10 0.00 0.48 0.00 0.00 55.95 58.09 1v54 s SER 11 Cb -0.23 -2.20 0.87 0.00 0.10 0.00 0.00 66.02 64.56 1v54 s SER 11 CO 0.00 -2.64 1.86 -0.65 0.98 0.00 0.00 173.24 172.80 1v54 h PRO 12 N -1.55 0.62 -0.34 4.02 0.11 -1.99 0.74 132.00 133.61 1v54 h PRO 12 Ca -0.49 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1v54 h PRO 12 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1v54 h PRO 12 CO 0.54 0.41 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.50 1v54 h LYS 13 N 0.64 0.61 -0.85 1.05 3.11 -1.99 -0.97 116.57 118.17 1v54 h LYS 13 Ca 0.46 -0.20 -0.03 0.00 -2.81 0.00 0.00 60.65 58.07 1v54 h LYS 13 Cb 0.82 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.96 1v54 h LYS 13 CO -0.21 0.74 0.41 0.93 -2.81 0.00 0.00 179.45 178.51 1v54 h GLU 14 N 0.42 1.22 -0.50 1.90 5.08 -1.36 -1.95 114.58 119.39 1v54 h GLU 14 Ca 0.10 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1v54 h GLU 14 Cb 0.47 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1v54 h GLU 14 CO 0.02 0.94 -0.08 1.96 -1.00 0.00 0.00 179.01 180.85 1v54 h GLN 15 N 1.21 0.89 -0.82 2.33 4.20 -0.65 -1.22 115.11 121.04 1v54 h GLN 15 Ca 0.29 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1v54 h GLN 15 Cb 0.12 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1v54 h GLN 15 CO -0.04 0.94 0.41 0.00 -0.67 0.00 0.00 178.83 179.47 1v54 h ALA 16 N 1.10 1.06 -0.13 3.87 0.00 -0.86 0.99 119.26 125.29 1v54 h ALA 16 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1v54 h ALA 16 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1v54 h ALA 16 CO 0.04 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.77 1v54 h ILE 17 N 1.17 1.16 -0.76 0.00 2.04 -0.88 -0.73 117.51 119.50 1v54 h ILE 17 Ca 0.28 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1v54 h ILE 17 Cb 0.10 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1v54 h ILE 17 CO -0.04 0.14 0.26 1.23 0.00 0.00 0.00 178.15 179.74 1v54 h GLY 18 N 0.04 1.26 0.78 5.37 0.00 -0.87 -0.82 103.07 108.83 1v54 h GLY 18 Ca 0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1v54 h GLY 18 CO -0.00 0.68 -0.00 -2.00 0.00 0.00 0.00 176.54 175.22 1v54 h LEU 19 N 1.13 -0.00 -0.54 3.11 5.85 -0.72 -0.14 115.31 124.00 1v54 h LEU 19 Ca 0.25 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1v54 h LEU 19 Cb 0.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1v54 h LEU 19 CO -0.01 0.22 0.27 0.28 -0.34 0.00 0.00 178.44 178.85 1v54 h SER 20 N -0.22 0.70 -0.64 1.25 0.02 -1.04 0.43 113.55 114.05 1v54 h SER 20 Ca -0.00 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1v54 h SER 20 Cb 0.22 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1v54 h SER 20 CO 0.00 0.62 0.14 0.58 -1.14 0.00 0.00 176.83 177.03 1v54 h VAL 21 N 0.72 1.26 0.25 2.27 2.07 -1.11 -0.62 116.25 121.09 1v54 h VAL 21 Ca 0.19 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1v54 h VAL 21 Cb 0.10 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1v54 h VAL 21 CO -0.02 0.36 -0.12 0.74 0.02 0.00 0.00 177.57 178.55 1v54 h THR 22 N 0.96 0.79 -0.78 2.57 2.02 -0.68 -1.32 112.91 116.46 1v54 h THR 22 Ca 0.20 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1v54 h THR 22 Cb 0.38 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 1v54 h THR 22 CO 0.00 0.04 0.49 -0.26 0.37 0.00 0.00 175.52 176.17 1v54 h PHE 23 N -0.42 0.92 -0.30 3.16 0.05 -0.79 -2.30 116.94 117.26 1v54 h PHE 23 Ca -0.03 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.71 1v54 h PHE 23 Cb 0.32 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.95 1v54 h PHE 23 CO -0.03 0.52 -0.11 -0.07 -0.18 0.00 0.00 178.31 178.43 1v54 h LEU 24 N 0.95 0.49 -2.02 1.54 3.38 -0.93 -1.23 115.31 117.49 1v54 h LEU 24 Ca 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1v54 h LEU 24 Cb 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1v54 h LEU 24 CO -0.12 0.64 -0.10 0.77 0.09 0.00 0.00 178.44 179.72 1v54 h SER 25 N 0.47 0.00 0.03 -0.43 4.64 -0.64 -1.01 113.55 116.60 1v54 h SER 25 Ca 0.09 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.16 1v54 h SER 25 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1v54 h SER 25 CO 0.03 0.10 -1.35 -0.26 -0.87 0.00 0.00 176.83 174.48 1v54 h PHE 26 N 0.00 0.11 -0.18 4.77 -1.00 -1.42 -3.42 116.94 115.81 1v54 h PHE 26 Ca -0.00 -0.08 -0.20 0.00 2.81 0.00 0.00 57.97 60.50 1v54 h PHE 26 Cb 0.26 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1v54 h PHE 26 CO 0.00 1.53 -0.68 -0.07 -1.61 0.00 0.00 178.31 177.48 1v54 h LEU 27 N -0.77 0.82 0.58 1.54 3.38 -1.11 -3.33 115.31 116.42 1v54 h LEU 27 Ca -0.35 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.10 1v54 h LEU 27 Cb 1.45 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1v54 h LEU 27 CO -0.13 1.27 -0.28 -0.07 0.09 0.00 0.00 178.44 179.32 1v54 h LEU 28 N 0.51 -0.66 -0.33 1.67 3.38 -1.43 0.35 115.31 118.80 1v54 h LEU 28 Ca -0.02 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v54 h LEU 28 Cb 1.28 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1v54 h LEU 28 CO 0.14 -0.37 0.16 -0.65 0.09 0.00 0.00 178.44 177.80 1v54 h PRO 29 N -0.93 0.33 -0.44 1.13 0.11 -1.80 0.11 132.00 130.51 1v54 h PRO 29 Ca -0.08 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1v54 h PRO 29 Cb 0.65 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1v54 h PRO 29 CO 0.13 0.22 0.16 0.00 -0.21 0.00 0.00 178.00 178.30 1v54 h ALA 30 N 1.18 0.58 -0.96 -0.75 0.00 -1.67 -2.10 119.26 115.53 1v54 h ALA 30 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1v54 h ALA 30 Cb 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1v54 h ALA 30 CO -0.10 0.20 0.63 0.78 0.00 0.00 0.00 179.25 180.76 1v54 h GLY 31 N 0.57 1.38 0.99 0.00 0.00 -0.46 0.04 103.07 105.59 1v54 h GLY 31 Ca 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1v54 h GLY 31 CO -0.01 0.45 -0.11 -0.25 0.00 0.00 0.00 176.54 176.63 1v54 h TRP 32 N 1.26 -0.27 -0.06 5.60 7.01 -0.40 0.29 115.95 129.37 1v54 h TRP 32 Ca 0.37 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.37 1v54 h TRP 32 Cb -0.07 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1v54 h TRP 32 CO -0.01 -0.16 0.01 0.28 -2.79 0.00 0.00 178.44 175.77 1v54 h VAL 33 N -0.31 0.97 -0.46 2.65 2.07 -1.05 -1.92 116.25 118.21 1v54 h VAL 33 Ca -0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1v54 h VAL 33 Cb 0.23 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1v54 h VAL 33 CO 0.05 0.01 0.31 -0.07 0.02 0.00 0.00 177.57 177.88 1v54 h LEU 34 N 0.03 0.53 -0.32 2.57 4.07 -0.89 -2.01 115.31 119.29 1v54 h LEU 34 Ca 0.03 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 1v54 h LEU 34 Cb 0.02 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1v54 h LEU 34 CO -0.04 0.39 -0.20 0.22 -1.08 0.00 0.00 178.44 177.73 1v54 h TYR 35 N 0.63 0.81 -0.26 1.13 3.20 -0.56 -2.99 116.97 118.93 1v54 h TYR 35 Ca 0.17 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1v54 h TYR 35 Cb -0.07 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1v54 h TYR 35 CO 0.00 0.93 0.00 0.72 -1.64 0.00 0.00 178.16 178.17 1v54 n HIS 36 N -4.32 0.65 -0.18 -3.82 8.25 -0.75 -4.43 115.22 110.61 1v54 n HIS 36 Ca -0.03 -0.25 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 1v54 n HIS 36 Cb 0.41 -0.15 0.08 0.00 1.12 0.00 0.00 29.99 31.45 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 1.66 -0.14 -0.94 2.41 3.38 -1.22 -1.42 115.31 119.04 1v54 h LEU 37 Ca 0.00 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1v54 h LEU 37 Cb 0.79 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1v54 h LEU 37 CO 0.11 -0.05 -0.12 0.44 0.09 0.00 0.00 178.44 178.92 1v54 h ASP 38 N 0.17 0.63 0.11 -0.43 5.19 -1.85 0.19 116.42 120.43 1v54 h ASP 38 Ca 0.28 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1v54 h ASP 38 Cb 0.42 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1v54 h ASP 38 CO -0.42 0.78 -0.05 0.78 -3.12 0.00 0.00 179.24 177.21 1v54 h ASN 39 N 0.59 0.00 0.00 6.45 4.21 -1.60 -2.77 115.58 122.45 1v54 h ASN 39 Ca 0.10 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.53 1v54 h ASN 39 Cb 0.55 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1v54 h ASN 39 CO 0.03 0.05 -0.55 1.88 -1.29 0.00 0.00 177.43 177.55 1v54 h TYR 40 N 0.00 0.00 -0.90 1.19 0.99 -0.61 -3.38 116.97 114.26 1v54 h TYR 40 Ca -0.00 0.00 0.24 0.00 2.00 0.00 0.00 58.73 60.97 1v54 h TYR 40 Cb 0.12 0.00 -0.16 0.00 1.00 0.00 0.00 36.73 37.69 1v54 h TYR 40 CO 0.00 0.82 0.10 0.87 -0.00 0.00 0.00 178.16 179.95 1v54 h LYS 41 N -1.00 0.09 -3.21 4.88 1.57 -0.76 -3.25 116.57 114.89 1v54 h LYS 41 Ca -0.13 -0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.05 1v54 h LYS 41 Cb 0.85 -0.02 -0.40 0.00 0.08 0.00 0.00 32.23 32.74 1v54 h LYS 41 CO -0.08 0.06 -0.75 0.21 -0.57 0.00 0.00 179.45 178.32 1v54 s LYS 42 N -6.00 1.00 0.00 3.15 2.47 -1.07 -5.11 119.74 114.19 1v54 s LYS 42 Ca -0.13 -1.58 0.00 0.00 -1.56 0.00 0.00 55.97 52.70 1v54 s LYS 42 Cb 0.27 -2.13 0.00 0.00 -1.46 0.00 0.00 37.83 34.51 1v54 s LYS 42 CO 0.77 -1.09 0.00 0.43 0.16 0.00 0.00 175.35 175.62