#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba4 s ALA 2 N 0.00 -1.83 0.22 2.24 0.00 -1.26 -5.04 121.76 116.09 1ba4 s ALA 2 Ca 0.00 1.55 -0.08 0.00 0.00 0.00 0.00 51.96 53.44 1ba4 s ALA 2 Cb 0.00 -0.50 0.19 0.00 0.00 0.00 0.00 23.12 22.81 1ba4 s ALA 2 CO 0.00 -0.34 1.84 0.93 0.00 0.00 0.00 175.76 178.19 1ba4 h GLU 3 N 3.31 1.21 -4.95 0.00 5.08 -2.13 -3.48 114.58 113.61 1ba4 h GLU 3 Ca -0.25 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1ba4 h GLU 3 Cb 1.15 -0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.05 1ba4 h GLU 3 CO 0.29 0.90 -1.53 0.34 -1.00 0.00 0.00 179.01 178.01 1ba4 n PHE 4 N -4.35 -4.38 -2.12 4.33 -0.00 -1.26 -5.00 117.46 104.69 1ba4 n PHE 4 Ca 0.09 2.50 0.04 0.00 -0.00 0.00 0.00 57.45 60.07 1ba4 n PHE 4 Cb 0.11 -3.89 0.06 0.00 -0.00 0.00 0.00 39.48 35.75 1ba4 n PHE 4 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1ba4 n ARG 5 N 1.58 0.36 -0.98 -4.13 0.63 -1.26 -4.86 116.66 108.00 1ba4 n ARG 5 Ca -0.38 -2.01 -0.16 0.00 -0.92 0.00 0.00 57.85 54.37 1ba4 n ARG 5 Cb 0.59 -0.51 -0.00 0.00 0.45 0.00 0.00 32.46 33.00 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 -0.04 1.25 -2.36 -0.14 -0.00 -1.26 -4.82 115.22 107.86 1ba4 n HIS 6 Ca 0.07 -1.81 -0.36 0.00 0.46 0.00 0.00 57.72 56.08 1ba4 n HIS 6 Cb 0.92 -1.04 -0.03 0.00 -0.12 0.00 0.00 29.99 29.73 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 0.57 6.04 -0.06 0.26 1.47 -1.26 -4.86 116.67 118.83 1ba4 s ASP 7 Ca 0.36 -2.08 -0.03 0.00 1.18 0.00 0.00 52.55 51.97 1ba4 s ASP 7 Cb 0.25 -2.58 0.04 0.00 -0.34 0.00 0.00 42.92 40.28 1ba4 s ASP 7 CO -0.05 -2.01 0.14 -0.44 0.68 0.00 0.00 175.17 173.49 1ba4 s SER 8 N 5.24 -0.11 0.00 2.11 0.01 -1.26 -4.94 113.70 114.75 1ba4 s SER 8 Ca 0.60 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1ba4 s SER 8 Cb 0.02 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1ba4 s SER 8 CO 0.10 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1ba4 n GLY 9 N 4.05 2.06 3.80 3.44 0.00 -1.26 -5.13 105.19 112.15 1ba4 n GLY 9 Ca -0.25 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1ba4 n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ba4 s TYR 10 N 0.00 2.99 -0.05 1.61 5.04 -1.26 -5.07 117.35 120.61 1ba4 s TYR 10 Ca 0.00 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1ba4 s TYR 10 Cb 0.00 -2.98 0.02 0.00 0.35 0.00 0.00 41.96 39.35 1ba4 s TYR 10 CO 0.00 -1.20 -0.03 -2.00 -1.34 0.00 0.00 175.55 170.98 1ba4 s GLU 11 N -4.38 0.70 0.96 4.97 -6.30 -1.26 -5.14 118.70 108.26 1ba4 s GLU 11 Ca 0.62 -0.04 -0.11 0.00 -2.50 0.00 0.00 54.97 52.94 1ba4 s GLU 11 Cb -0.16 -0.79 0.17 0.00 0.00 0.00 0.00 34.13 33.35 1ba4 s GLU 11 CO 0.43 -0.12 1.11 0.14 0.02 0.00 0.00 175.26 176.84 1ba4 s VAL 12 N 1.07 2.14 -0.71 3.70 -7.23 -1.26 -4.97 120.40 113.14 1ba4 s VAL 12 Ca -0.09 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.16 1ba4 s VAL 12 Cb -0.14 -2.11 0.30 0.00 0.56 0.00 0.00 36.38 34.99 1ba4 s VAL 12 CO -0.01 -0.06 1.02 1.41 -0.31 0.00 0.00 175.10 177.15 1ba4 n HIS 13 N -4.35 3.53 -2.66 2.82 8.25 -1.26 -4.79 115.22 116.77 1ba4 n HIS 13 Ca 0.10 -3.75 -0.17 0.00 -0.26 0.00 0.00 57.72 53.64 1ba4 n HIS 13 Cb 0.53 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.95 1ba4 n HIS 13 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ba4 n HIS 14 N 0.44 -1.47 -0.33 4.41 -0.00 -1.26 -4.82 115.22 112.19 1ba4 n HIS 14 Ca 0.32 0.14 0.31 0.00 -0.00 0.00 0.00 57.72 58.49 1ba4 n HIS 14 Cb 0.38 -3.20 0.67 0.00 -0.00 0.00 0.00 29.99 27.84 1ba4 n HIS 14 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1ba4 h GLN 15 N -0.33 0.13 -0.12 -0.41 4.20 -1.99 -1.28 115.11 115.31 1ba4 h GLN 15 Ca -0.38 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.37 1ba4 h GLN 15 Cb 1.27 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 1ba4 h GLN 15 CO 0.44 0.09 -0.22 1.57 -0.67 0.00 0.00 178.83 180.03 1ba4 h LYS 16 N 0.13 -0.28 -0.31 1.46 5.09 -2.00 -0.65 116.57 120.02 1ba4 h LYS 16 Ca 0.59 0.02 -0.12 0.00 0.09 0.00 0.00 60.65 61.23 1ba4 h LYS 16 Cb 2.04 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 34.42 1ba4 h LYS 16 CO -0.12 -0.19 -0.29 1.37 -2.09 0.00 0.00 179.45 178.13 1ba4 h LEU 17 N -0.29 0.67 -0.34 7.07 8.10 -1.62 -2.74 115.31 126.16 1ba4 h LEU 17 Ca 0.10 -0.26 0.07 0.00 0.11 0.00 0.00 57.88 57.90 1ba4 h LEU 17 Cb 0.43 -0.18 -0.06 0.00 -0.44 0.00 0.00 40.66 40.41 1ba4 h LEU 17 CO -0.29 0.92 -0.06 0.58 -4.11 0.00 0.00 178.44 175.49 1ba4 h VAL 18 N 0.56 0.69 -0.24 0.15 2.07 -1.01 0.47 116.25 118.94 1ba4 h VAL 18 Ca 0.07 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1ba4 h VAL 18 Cb 0.78 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1ba4 h VAL 18 CO 0.06 0.01 -0.02 -0.26 0.02 0.00 0.00 177.57 177.38 1ba4 h PHE 19 N 0.03 -0.04 -0.04 1.57 0.04 -0.98 -0.57 116.94 116.95 1ba4 h PHE 19 Ca 0.16 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.99 1ba4 h PHE 19 Cb 0.24 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 1ba4 h PHE 19 CO -0.29 -0.06 -0.33 0.35 -0.60 0.00 0.00 178.31 177.38 1ba4 h PHE 20 N 0.05 -0.93 -0.58 -0.55 3.57 -0.99 -1.39 116.94 116.13 1ba4 h PHE 20 Ca 0.11 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1ba4 h PHE 20 Cb 0.16 0.41 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 1ba4 h PHE 20 CO -0.21 -0.42 0.16 0.00 -2.23 0.00 0.00 178.31 175.61 1ba4 h ALA 21 N 0.27 0.70 -0.21 2.41 0.00 -0.44 -1.26 119.26 120.73 1ba4 h ALA 21 Ca 0.07 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ba4 h ALA 21 Cb 0.57 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1ba4 h ALA 21 CO -0.30 -0.26 -0.01 0.93 0.00 0.00 0.00 179.25 179.61 1ba4 h GLU 22 N 0.31 0.05 -0.13 0.00 5.08 -0.49 -0.00 114.58 119.40 1ba4 h GLU 22 Ca 0.30 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1ba4 h GLU 22 Cb 0.40 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1ba4 h GLU 22 CO -0.35 0.03 -0.24 0.22 -1.00 0.00 0.00 179.01 177.68 1ba4 h ASP 23 N 0.05 -0.74 -0.43 1.42 1.82 -0.42 -0.46 116.42 117.67 1ba4 h ASP 23 Ca 0.10 0.12 0.09 0.00 -0.39 0.00 0.00 57.03 56.95 1ba4 h ASP 23 Cb 0.13 0.33 -0.09 0.00 0.68 0.00 0.00 39.33 40.37 1ba4 h ASP 23 CO -0.18 -0.29 -0.20 0.58 -1.61 0.00 0.00 179.24 177.54 1ba4 h VAL 24 N -0.30 0.39 0.17 2.25 2.07 -0.77 -0.69 116.25 119.37 1ba4 h VAL 24 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1ba4 h VAL 24 Cb 0.45 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1ba4 h VAL 24 CO -0.30 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 178.27 1ba4 h GLY 25 N -0.12 -0.50 0.04 2.17 0.00 -0.32 -2.03 103.07 102.31 1ba4 h GLY 25 Ca 0.21 0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.91 1ba4 h GLY 25 CO -0.51 -0.22 -0.20 1.76 0.00 0.00 0.00 176.54 177.38 1ba4 h SER 26 N -0.49 -0.66 0.32 0.19 0.02 -0.37 -1.04 113.55 111.52 1ba4 h SER 26 Ca 0.02 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ba4 h SER 26 Cb 0.49 0.36 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1ba4 h SER 26 CO -0.11 -0.23 -0.39 0.78 -1.14 0.00 0.00 176.83 175.74 1ba4 h ASN 27 N -0.13 -1.09 -0.88 3.07 -0.26 -0.88 -0.82 115.58 114.59 1ba4 h ASN 27 Ca 0.19 0.09 0.11 0.00 -0.56 0.00 0.00 56.30 56.14 1ba4 h ASN 27 Cb 0.42 0.37 -0.07 0.00 -1.06 0.00 0.00 38.32 37.99 1ba4 h ASN 27 CO -0.47 -0.49 0.57 0.07 -1.06 0.00 0.00 177.43 176.05 1ba4 h LYS 28 N -0.73 0.78 0.45 0.81 2.10 -1.23 -0.86 116.57 117.89 1ba4 h LYS 28 Ca -0.04 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1ba4 h LYS 28 Cb 0.65 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1ba4 h LYS 28 CO -0.09 0.51 -0.35 0.78 -2.00 0.00 0.00 179.45 178.31 1ba4 h GLY 29 N 0.80 -0.87 0.56 0.07 0.00 -0.71 0.07 103.07 102.99 1ba4 h GLY 29 Ca 0.42 0.39 0.07 0.00 0.00 0.00 0.00 47.33 48.21 1ba4 h GLY 29 CO -0.18 -0.31 0.23 0.00 0.00 0.00 0.00 176.54 176.28 1ba4 h ALA 30 N -0.36 0.70 0.16 3.60 0.00 -0.41 -0.84 119.26 122.10 1ba4 h ALA 30 Ca -0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ba4 h ALA 30 Cb 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1ba4 h ALA 30 CO 0.00 -0.15 -0.38 0.82 0.00 0.00 0.00 179.25 179.54 1ba4 h ILE 31 N 0.44 0.21 -0.90 0.00 2.04 -0.88 -0.71 117.51 117.71 1ba4 h ILE 31 Ca 0.26 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.21 1ba4 h ILE 31 Cb 0.25 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 1ba4 h ILE 31 CO -0.23 0.00 0.55 0.40 0.00 0.00 0.00 178.15 178.87 1ba4 h ILE 32 N -0.64 0.97 -0.00 -0.67 2.04 -0.61 -2.10 117.51 116.50 1ba4 h ILE 32 Ca 0.02 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1ba4 h ILE 32 Cb 0.66 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1ba4 h ILE 32 CO -0.20 0.17 -0.22 1.23 0.00 0.00 0.00 178.15 179.13 1ba4 h GLY 33 N 0.94 -0.32 1.20 5.37 0.00 -0.05 0.09 103.07 110.30 1ba4 h GLY 33 Ca 0.42 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 1ba4 h GLY 33 CO -0.22 -0.19 0.40 0.17 0.00 0.00 0.00 176.54 176.70 1ba4 h LEU 34 N -0.35 0.94 0.29 3.11 8.10 -0.65 -0.75 115.31 125.99 1ba4 h LEU 34 Ca 0.06 -0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1ba4 h LEU 34 Cb 0.43 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 1ba4 h LEU 34 CO -0.20 0.76 -0.14 0.24 -4.11 0.00 0.00 178.44 174.99 1ba4 h MET 35 N 1.05 -0.38 -0.48 0.17 2.86 -0.81 -2.95 114.93 114.40 1ba4 h MET 35 Ca 0.26 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 58.00 1ba4 h MET 35 Cb 0.04 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 1ba4 h MET 35 CO -0.04 -0.24 0.13 0.28 1.06 0.00 0.00 176.91 178.10 1ba4 h VAL 36 N -0.41 0.78 -0.96 -2.22 2.07 -0.70 -1.95 116.25 112.87 1ba4 h VAL 36 Ca -0.04 -0.10 0.28 0.00 0.82 0.00 0.00 66.70 67.66 1ba4 h VAL 36 Cb 0.31 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1ba4 h VAL 36 CO 0.07 0.05 0.86 1.23 0.02 0.00 0.00 177.57 179.79 1ba4 h GLY 37 N 0.28 0.00 -0.19 2.17 0.00 -0.96 -3.44 103.07 100.93 1ba4 h GLY 37 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1ba4 h GLY 37 CO -0.28 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.87 1ba4 n GLY 38 N -1.68 0.75 0.96 4.60 0.00 -0.73 -4.93 105.19 104.16 1ba4 n GLY 38 Ca 0.20 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.09 0.90 0.83 1.61 0.31 -1.24 -5.12 118.33 112.53 1ba4 n VAL 39 Ca 0.00 -0.34 0.07 0.00 -0.01 0.00 0.00 64.34 64.06 1ba4 n VAL 39 Cb 0.40 -0.61 0.39 0.00 -0.91 0.00 0.00 33.84 33.12 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03