#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba4 n ALA 2 N 0.00 3.77 -3.27 2.12 0.00 -1.26 -4.98 120.51 116.88 1ba4 n ALA 2 Ca 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 53.44 50.10 1ba4 n ALA 2 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.00 1ba4 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ba4 n GLU 3 N -0.69 -1.45 -3.14 0.00 0.00 -1.26 -5.01 120.64 109.09 1ba4 n GLU 3 Ca 0.23 1.20 0.02 0.00 0.00 0.00 0.00 57.16 58.62 1ba4 n GLU 3 Cb 0.86 -4.97 -0.01 0.00 0.00 0.00 0.00 31.44 27.32 1ba4 n GLU 3 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1ba4 s PHE 4 N -3.08 -1.53 0.00 4.31 5.36 -1.26 -5.00 117.98 116.78 1ba4 s PHE 4 Ca 0.09 0.43 0.03 0.00 -0.96 0.00 0.00 56.93 56.53 1ba4 s PHE 4 Cb -0.02 0.28 0.05 0.00 -0.34 0.00 0.00 43.02 42.99 1ba4 s PHE 4 CO 0.79 -0.99 0.93 -2.13 -1.46 0.00 0.00 175.22 172.35 1ba4 n ARG 5 N 4.61 0.00 -2.68 10.12 0.63 -1.26 -4.93 116.66 123.14 1ba4 n ARG 5 Ca 0.09 -0.93 -0.06 0.00 -0.92 0.00 0.00 57.85 56.02 1ba4 n ARG 5 Cb 0.57 0.31 0.11 0.00 0.45 0.00 0.00 32.46 33.90 1ba4 n ARG 5 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1ba4 n HIS 6 N 0.06 -2.29 -2.03 -0.14 -0.00 -1.26 -5.14 115.22 104.43 1ba4 n HIS 6 Ca -0.17 -1.81 -0.41 0.00 0.46 0.00 0.00 57.72 55.79 1ba4 n HIS 6 Cb 0.72 1.57 -0.02 0.00 -0.12 0.00 0.00 29.99 32.14 1ba4 n HIS 6 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1ba4 s ASP 7 N -1.12 6.65 -1.14 0.26 -4.77 -1.26 -4.87 116.67 110.41 1ba4 s ASP 7 Ca 0.19 2.79 -0.23 0.00 -3.30 0.00 0.00 52.55 52.00 1ba4 s ASP 7 Cb 0.39 -2.65 -0.07 0.00 -1.09 0.00 0.00 42.92 39.49 1ba4 s ASP 7 CO -0.09 -0.63 1.92 -0.55 0.70 0.00 0.00 175.17 176.52 1ba4 s SER 8 N -0.36 5.15 0.00 2.11 0.15 -1.26 -1.72 113.70 117.78 1ba4 s SER 8 Ca 0.50 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1ba4 s SER 8 Cb -0.42 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 1ba4 s SER 8 CO 0.55 -2.91 0.00 0.61 1.20 0.00 0.00 173.24 172.69 1ba4 n GLY 9 N 5.98 -0.12 3.69 9.45 0.00 -1.26 -5.14 105.19 117.80 1ba4 n GLY 9 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1ba4 n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ba4 n TYR 10 N 0.00 2.14 -0.96 1.61 4.19 -0.70 -4.82 117.16 118.62 1ba4 n TYR 10 Ca 0.00 0.53 0.00 0.00 3.31 0.00 0.00 57.90 61.74 1ba4 n TYR 10 Cb 0.00 -2.39 0.00 0.00 0.49 0.00 0.00 39.34 37.44 1ba4 n TYR 10 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1ba4 n GLU 11 N 0.27 0.00 -1.24 2.98 0.28 -1.26 -5.08 120.64 116.59 1ba4 n GLU 11 Ca 0.06 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.80 1ba4 n GLU 11 Cb 0.38 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.45 1ba4 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1ba4 n VAL 12 N 0.00 0.00 -3.30 3.84 0.24 -1.26 -5.07 118.33 112.78 1ba4 n VAL 12 Ca 0.00 -0.61 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 1ba4 n VAL 12 Cb 0.07 -1.37 -0.05 0.00 -1.47 0.00 0.00 33.84 31.02 1ba4 n VAL 12 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1ba4 s HIS 13 N -3.08 -0.84 -1.73 6.34 2.46 -1.26 -4.89 115.29 112.29 1ba4 s HIS 13 Ca 0.64 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1ba4 s HIS 13 Cb -0.04 -0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.27 1ba4 s HIS 13 CO 0.47 -1.05 0.00 0.72 -2.47 0.00 0.00 174.74 172.41 1ba4 n HIS 14 N 4.33 -0.83 -0.18 3.88 8.25 -1.26 -4.84 115.22 124.58 1ba4 n HIS 14 Ca 0.11 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.67 1ba4 n HIS 14 Cb 0.50 -3.58 0.41 0.00 1.12 0.00 0.00 29.99 28.43 1ba4 n HIS 14 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1ba4 h GLN 15 N 0.00 0.61 -0.38 -0.41 -0.00 -2.00 -1.49 115.11 111.44 1ba4 h GLN 15 Ca -0.43 -0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.25 1ba4 h GLN 15 Cb 1.31 -0.14 -0.07 0.00 0.00 0.00 0.00 27.48 28.58 1ba4 h GLN 15 CO 0.54 0.40 -0.10 -0.22 0.00 0.00 0.00 178.83 179.46 1ba4 h LYS 16 N 0.62 -0.00 -0.49 1.69 1.63 -2.00 0.03 116.57 118.06 1ba4 h LYS 16 Ca 0.34 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.06 1ba4 h LYS 16 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1ba4 h LYS 16 CO -0.12 -0.00 -0.04 1.37 -3.45 0.00 0.00 179.45 177.20 1ba4 h LEU 17 N -0.00 0.88 -0.29 5.20 8.10 -1.67 -1.20 115.31 126.33 1ba4 h LEU 17 Ca 0.18 -0.33 0.06 0.00 0.11 0.00 0.00 57.88 57.91 1ba4 h LEU 17 Cb 0.28 -0.24 -0.07 0.00 -0.44 0.00 0.00 40.66 40.19 1ba4 h LEU 17 CO -0.39 1.00 -0.15 0.58 -4.11 0.00 0.00 178.44 175.37 1ba4 h VAL 18 N 0.74 0.55 -0.24 0.15 2.07 -0.94 0.15 116.25 118.74 1ba4 h VAL 18 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1ba4 h VAL 18 Cb 0.57 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1ba4 h VAL 18 CO 0.03 0.00 0.07 -0.26 0.02 0.00 0.00 177.57 177.44 1ba4 h PHE 19 N -0.11 0.13 -0.37 1.57 -1.00 -0.84 -2.31 116.94 114.00 1ba4 h PHE 19 Ca 0.15 0.01 0.08 0.00 2.81 0.00 0.00 57.97 61.02 1ba4 h PHE 19 Cb 0.34 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 39.80 1ba4 h PHE 19 CO -0.34 0.06 -0.19 0.35 -1.61 0.00 0.00 178.31 176.58 1ba4 h PHE 20 N 0.18 -0.48 -0.48 -0.55 3.57 -0.20 -0.98 116.94 118.00 1ba4 h PHE 20 Ca 0.10 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1ba4 h PHE 20 Cb 0.08 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1ba4 h PHE 20 CO -0.13 -0.27 -0.06 0.00 -2.23 0.00 0.00 178.31 175.62 1ba4 h ALA 21 N 1.12 0.39 -0.37 2.41 0.00 -0.47 0.57 119.26 122.90 1ba4 h ALA 21 Ca 0.18 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1ba4 h ALA 21 Cb 0.41 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1ba4 h ALA 21 CO -0.45 -0.42 0.09 0.93 0.00 0.00 0.00 179.25 179.40 1ba4 h GLU 22 N 0.05 0.22 -0.24 0.00 5.08 -0.84 -1.20 114.58 117.66 1ba4 h GLU 22 Ca 0.24 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1ba4 h GLU 22 Cb 0.36 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1ba4 h GLU 22 CO -0.45 0.14 -0.17 0.22 -1.00 0.00 0.00 179.01 177.76 1ba4 h ASP 23 N 0.22 -0.55 -0.53 1.42 1.82 0.08 -1.62 116.42 117.26 1ba4 h ASP 23 Ca 0.17 0.11 0.11 0.00 -0.39 0.00 0.00 57.03 57.03 1ba4 h ASP 23 Cb 0.19 0.28 -0.09 0.00 0.68 0.00 0.00 39.33 40.38 1ba4 h ASP 23 CO -0.21 -0.21 -0.04 0.58 -1.61 0.00 0.00 179.24 177.75 1ba4 h VAL 24 N -0.16 0.54 0.19 2.25 2.07 -0.27 0.97 116.25 121.84 1ba4 h VAL 24 Ca 0.13 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1ba4 h VAL 24 Cb 0.36 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1ba4 h VAL 24 CO -0.33 0.01 -0.31 1.23 0.02 0.00 0.00 177.57 178.19 1ba4 h GLY 25 N 0.07 -0.63 0.22 2.17 0.00 -0.41 -1.85 103.07 102.65 1ba4 h GLY 25 Ca 0.26 0.36 0.10 0.00 0.00 0.00 0.00 47.33 48.06 1ba4 h GLY 25 CO -0.48 -0.25 0.06 1.76 0.00 0.00 0.00 176.54 177.63 1ba4 h SER 26 N -0.57 -0.09 -0.01 0.19 0.02 -0.41 -2.57 113.55 110.10 1ba4 h SER 26 Ca 0.01 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1ba4 h SER 26 Cb 0.57 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1ba4 h SER 26 CO -0.14 -0.02 -0.43 0.78 -1.14 0.00 0.00 176.83 175.88 1ba4 h ASN 27 N 0.19 -1.31 -0.79 3.07 2.35 -0.39 -1.66 115.58 117.05 1ba4 h ASN 27 Ca 0.27 0.16 0.19 0.00 -0.55 0.00 0.00 56.30 56.37 1ba4 h ASN 27 Cb 0.39 0.51 -0.13 0.00 0.05 0.00 0.00 38.32 39.14 1ba4 h ASN 27 CO -0.39 -0.46 0.08 0.50 -1.65 0.00 0.00 177.43 175.51 1ba4 h LYS 28 N -0.58 0.14 0.34 0.81 3.11 -0.94 0.21 116.57 119.66 1ba4 h LYS 28 Ca 0.05 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1ba4 h LYS 28 Cb 0.66 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 1ba4 h LYS 28 CO -0.33 0.09 -0.32 0.78 -2.81 0.00 0.00 179.45 176.86 1ba4 h GLY 29 N 0.14 -0.75 0.60 5.01 0.00 -1.18 -1.48 103.07 105.40 1ba4 h GLY 29 Ca 0.45 0.37 0.07 0.00 0.00 0.00 0.00 47.33 48.22 1ba4 h GLY 29 CO -0.66 -0.28 0.31 0.00 0.00 0.00 0.00 176.54 175.91 1ba4 h ALA 30 N -0.17 0.82 -0.24 3.60 0.00 -0.36 -2.37 119.26 120.54 1ba4 h ALA 30 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ba4 h ALA 30 Cb 0.62 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1ba4 h ALA 30 CO -0.05 -0.05 -0.24 0.82 0.00 0.00 0.00 179.25 179.73 1ba4 h ILE 31 N 0.57 0.40 -0.45 0.00 2.04 -0.33 0.61 117.51 120.35 1ba4 h ILE 31 Ca 0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.23 1ba4 h ILE 31 Cb 0.24 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1ba4 h ILE 31 CO -0.21 0.00 0.05 0.40 0.00 0.00 0.00 178.15 178.39 1ba4 h ILE 32 N -0.24 0.71 -0.16 -0.67 2.04 -0.77 0.02 117.51 118.44 1ba4 h ILE 32 Ca 0.14 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1ba4 h ILE 32 Cb 0.46 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1ba4 h ILE 32 CO -0.38 0.03 -0.13 1.23 0.00 0.00 0.00 178.15 178.90 1ba4 h GLY 33 N 0.17 -0.00 0.58 5.37 0.00 -0.82 -1.48 103.07 106.89 1ba4 h GLY 33 Ca 0.22 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.78 1ba4 h GLY 33 CO -0.33 -0.14 0.28 1.41 0.00 0.00 0.00 176.54 177.77 1ba4 h LEU 34 N -0.13 0.37 0.01 3.11 3.38 -0.03 -0.32 115.31 121.69 1ba4 h LEU 34 Ca 0.10 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1ba4 h LEU 34 Cb 0.28 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1ba4 h LEU 34 CO -0.25 0.24 -0.21 0.24 0.09 0.00 0.00 178.44 178.55 1ba4 h MET 35 N 0.52 -0.33 -0.34 1.13 2.86 -0.38 -1.27 114.93 117.13 1ba4 h MET 35 Ca 0.28 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.01 1ba4 h MET 35 Cb 0.25 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1ba4 h MET 35 CO -0.22 -0.22 -0.03 0.28 1.06 0.00 0.00 176.91 177.78 1ba4 h VAL 36 N -0.34 0.72 0.06 -2.22 2.07 -0.74 0.69 116.25 116.49 1ba4 h VAL 36 Ca 0.06 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1ba4 h VAL 36 Cb 0.41 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1ba4 h VAL 36 CO -0.18 0.01 -0.41 1.23 0.02 0.00 0.00 177.57 178.24 1ba4 h GLY 37 N 0.06 -0.79 0.00 2.17 0.00 -0.54 -3.44 103.07 100.52 1ba4 h GLY 37 Ca 0.16 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1ba4 h GLY 37 CO -0.30 -0.26 0.00 0.61 0.00 0.00 0.00 176.54 176.59 1ba4 n GLY 38 N -1.45 0.59 1.84 4.60 0.00 -0.62 -4.94 105.19 105.21 1ba4 n GLY 38 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1ba4 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ba4 n VAL 39 N 0.00 2.58 0.00 1.61 0.31 -0.58 -4.98 118.33 117.27 1ba4 n VAL 39 Ca 0.00 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.86 1ba4 n VAL 39 Cb 0.01 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03