#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ceu n GLU 2 N 0.00 1.24 -3.49 0.03 0.00 -1.26 -5.13 120.64 112.03 1ceu n GLU 2 Ca 0.00 -2.16 -0.10 0.00 0.00 0.00 0.00 57.16 54.90 1ceu n GLU 2 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 31.44 31.07 1ceu n GLU 2 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1ceu s GLN 3 N -0.79 0.92 -0.04 3.44 0.00 -1.26 -5.13 119.66 116.80 1ceu s GLN 3 Ca 0.22 -0.23 -0.30 0.00 -0.00 0.00 0.00 55.36 55.05 1ceu s GLN 3 Cb 0.42 0.43 -0.06 0.00 0.00 0.00 0.00 33.01 33.79 1ceu s GLN 3 CO -0.06 -0.38 1.79 0.00 0.00 0.00 0.00 175.29 176.64 1ceu s ALA 4 N -2.82 3.54 0.10 2.60 0.00 -1.26 -4.97 121.76 118.94 1ceu s ALA 4 Ca 0.02 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 1ceu s ALA 4 Cb -0.01 -3.80 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 1ceu s ALA 4 CO -0.07 -1.56 1.22 -1.25 0.00 0.00 0.00 175.76 174.10 1ceu s PRO 5 N 4.34 4.44 0.05 0.00 0.04 -1.26 -4.97 135.00 137.64 1ceu s PRO 5 Ca 0.80 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 63.43 1ceu s PRO 5 Cb -0.36 -3.31 -0.16 0.00 0.04 0.00 0.00 34.50 30.71 1ceu s PRO 5 CO 0.34 -0.23 1.54 1.05 0.04 0.00 0.00 177.00 179.74 1ceu h GLU 6 N 6.43 0.07 -4.31 4.56 9.09 -1.87 -3.47 114.58 125.08 1ceu h GLU 6 Ca -0.42 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1ceu h GLU 6 Cb 1.21 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.26 1ceu h GLU 6 CO 0.80 0.26 -0.98 -0.25 0.05 0.00 0.00 179.01 178.89 1ceu n ASP 7 N -4.94 -5.04 -3.76 3.06 9.92 -1.26 -3.30 116.55 111.22 1ceu n ASP 7 Ca -0.07 1.31 -0.34 0.00 -0.53 0.00 0.00 54.79 55.17 1ceu n ASP 7 Cb 0.13 -4.36 0.03 0.00 -0.64 0.00 0.00 41.12 36.29 1ceu n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ceu n GLN 8 N 1.41 -0.99 -0.06 -1.24 10.64 -1.26 -4.42 117.38 121.46 1ceu n GLN 8 Ca -0.14 0.42 0.01 0.00 -1.83 0.00 0.00 57.00 55.46 1ceu n GLN 8 Cb 0.21 -3.65 -0.00 0.00 -0.86 0.00 0.00 30.24 25.94 1ceu n GLN 8 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ceu n GLY 9 N -1.79 -2.05 3.58 2.61 0.00 -1.26 -4.75 105.19 101.54 1ceu n GLY 9 Ca -0.11 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1ceu n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ceu s PRO 10 N -0.37 2.96 -0.06 1.61 0.04 -1.26 -4.69 135.00 133.21 1ceu s PRO 10 Ca 0.00 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 1ceu s PRO 10 Cb 0.00 -4.31 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1ceu s PRO 10 CO 0.00 -2.31 0.29 -1.14 0.04 0.00 0.00 177.00 173.88 1ceu s GLN 11 N 6.42 0.49 0.52 4.56 0.74 -1.21 -5.08 119.66 126.11 1ceu s GLN 11 Ca 0.78 0.11 -0.20 0.00 0.05 0.00 0.00 55.36 56.09 1ceu s GLN 11 Cb -0.19 0.22 -0.06 0.00 1.10 0.00 0.00 33.01 34.08 1ceu s GLN 11 CO 0.28 -0.10 1.13 -0.98 -0.55 0.00 0.00 175.29 175.07 1ceu s ARG 12 N -0.56 3.48 -0.39 1.67 1.04 -1.26 -4.75 118.95 118.18 1ceu s ARG 12 Ca -0.07 1.62 -0.00 0.00 -1.04 0.00 0.00 55.73 56.24 1ceu s ARG 12 Cb -0.04 -2.10 0.25 0.00 -2.04 0.00 0.00 34.95 31.02 1ceu s ARG 12 CO 0.02 -0.75 1.08 -0.85 -0.04 0.00 0.00 175.30 174.76 1ceu n GLU 13 N -1.10 0.32 0.00 3.89 -0.00 -1.26 -5.06 120.64 117.44 1ceu n GLU 13 Ca 0.10 -1.10 0.11 0.00 -0.00 0.00 0.00 57.16 56.28 1ceu n GLU 13 Cb 0.50 -0.59 0.58 0.00 -0.00 0.00 0.00 31.44 31.94 1ceu n GLU 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1ceu n PRO 14 N 1.88 0.44 0.08 3.44 -0.04 -1.26 -3.90 135.00 135.64 1ceu n PRO 14 Ca 0.07 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1ceu n PRO 14 Cb 0.66 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.78 1ceu n PRO 14 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1ceu h TYR 15 N 0.00 0.32 -4.24 0.54 -0.00 -1.97 -3.36 116.97 108.27 1ceu h TYR 15 Ca 0.00 -0.11 -0.52 0.00 0.00 0.00 0.00 58.73 58.10 1ceu h TYR 15 Cb 0.13 -0.06 0.15 0.00 0.00 0.00 0.00 36.73 36.95 1ceu h TYR 15 CO 0.00 0.73 0.33 -0.80 -0.00 0.00 0.00 178.16 178.42 1ceu s ASN 16 N -6.89 4.05 0.47 0.10 -0.87 -1.25 -4.72 114.94 105.83 1ceu s ASN 16 Ca -0.04 2.14 0.18 0.00 -1.57 0.00 0.00 52.86 53.57 1ceu s ASN 16 Cb 0.12 -2.56 1.15 0.00 -0.02 0.00 0.00 41.25 39.95 1ceu s ASN 16 CO 0.79 -2.35 2.03 0.44 -2.57 0.00 0.00 177.10 175.44 1ceu h ASP 17 N -0.86 0.00 0.66 -1.22 5.19 -1.96 0.60 116.42 118.82 1ceu h ASP 17 Ca -0.45 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1ceu h ASP 17 Cb 1.27 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.78 1ceu h ASP 17 CO 0.48 0.15 -0.32 -0.50 -3.12 0.00 0.00 179.24 175.94 1ceu h TRP 18 N 0.00 -0.82 0.00 4.55 6.55 -1.93 -3.09 115.95 121.21 1ceu h TRP 18 Ca -0.00 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1ceu h TRP 18 Cb 0.29 0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 1ceu h TRP 18 CO 0.00 -0.48 0.00 0.25 -1.05 0.00 0.00 178.44 177.16 1ceu n THR 19 N -5.38 0.52 0.03 1.49 -2.24 -1.00 -1.53 114.28 106.17 1ceu n THR 19 Ca -0.12 0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1ceu n THR 19 Cb 0.37 -0.82 0.40 0.00 -2.10 0.00 0.00 70.33 68.18 1ceu n THR 19 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ceu h LEU 20 N 0.00 0.42 0.12 3.22 7.12 0.29 0.55 115.31 127.02 1ceu h LEU 20 Ca 0.00 -0.03 -0.31 0.00 0.13 0.00 0.00 57.88 57.66 1ceu h LEU 20 Cb 0.21 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1ceu h LEU 20 CO 0.00 0.38 -1.66 1.05 -0.13 0.00 0.00 178.44 178.08 1ceu h GLU 21 N 0.47 0.24 0.00 1.25 4.11 -1.37 -3.20 114.58 116.09 1ceu h GLU 21 Ca 0.12 -0.42 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1ceu h GLU 21 Cb 0.08 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ceu h GLU 21 CO -0.01 1.20 0.00 1.25 0.07 0.00 0.00 179.01 181.52 1ceu h LEU 22 N -0.19 0.00 -0.11 3.06 5.85 -1.13 -0.64 115.31 122.14 1ceu h LEU 22 Ca -0.36 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1ceu h LEU 22 Cb 1.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 1ceu h LEU 22 CO 0.05 0.00 -0.08 0.25 -0.34 0.00 0.00 178.44 178.32 1ceu h LEU 23 N 0.00 0.27 -1.21 2.25 5.85 0.01 -1.07 115.31 121.41 1ceu h LEU 23 Ca 0.00 -0.45 0.29 0.00 0.84 0.00 0.00 57.88 58.55 1ceu h LEU 23 Cb 0.24 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 1ceu h LEU 23 CO 0.00 0.67 0.65 -0.08 -0.34 0.00 0.00 178.44 179.34 1ceu h GLU 24 N -0.13 0.39 -0.08 1.25 4.81 -1.13 0.81 114.58 120.50 1ceu h GLU 24 Ca 0.02 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1ceu h GLU 24 Cb 0.58 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ceu h GLU 24 CO 0.02 0.26 -0.25 1.49 -0.73 0.00 0.00 179.01 179.80 1ceu h GLU 25 N 0.40 0.32 -0.04 1.92 4.57 -0.88 -1.85 114.58 119.02 1ceu h GLU 25 Ca 0.66 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1ceu h GLU 25 Cb 1.57 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1ceu h GLU 25 CO -0.41 0.85 0.02 1.25 -1.18 0.00 0.00 179.01 179.54 1ceu h LEU 26 N -0.16 0.05 -0.88 1.64 5.85 0.14 0.25 115.31 122.20 1ceu h LEU 26 Ca -0.01 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1ceu h LEU 26 Cb 0.87 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1ceu h LEU 26 CO 0.05 0.13 -0.08 0.07 -0.34 0.00 0.00 178.44 178.27 1ceu h LYS 27 N -0.04 0.74 -0.75 1.25 5.09 -1.01 -0.65 116.57 121.21 1ceu h LYS 27 Ca 0.01 -0.23 0.07 0.00 0.09 0.00 0.00 60.65 60.59 1ceu h LYS 27 Cb 0.09 -0.07 -0.06 0.00 0.10 0.00 0.00 32.23 32.29 1ceu h LYS 27 CO -0.00 0.81 0.43 -0.91 -2.09 0.00 0.00 179.45 177.69 1ceu h ASN 28 N 0.68 0.64 -0.65 7.07 2.35 -0.75 -1.13 115.58 123.79 1ceu h ASN 28 Ca 0.12 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1ceu h ASN 28 Cb 0.54 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1ceu h ASN 28 CO 0.03 0.40 0.34 -0.08 -1.65 0.00 0.00 177.43 176.47 1ceu h GLU 29 N 0.77 0.95 -0.00 0.81 4.81 0.25 -1.14 114.58 121.03 1ceu h GLU 29 Ca 0.34 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ceu h GLU 29 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ceu h GLU 29 CO -0.19 0.72 -0.01 0.00 -0.73 0.00 0.00 179.01 178.80 1ceu n ALA 30 N -2.44 2.63 -2.62 2.92 0.00 -0.32 -3.01 120.51 117.67 1ceu n ALA 30 Ca 0.06 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1ceu n ALA 30 Cb 0.12 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.12 1ceu n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ceu n VAL 31 N -1.01 1.34 0.03 0.00 0.31 -0.49 -4.55 118.33 113.95 1ceu n VAL 31 Ca 0.20 -3.44 0.00 0.00 -0.01 0.00 0.00 64.34 61.09 1ceu n VAL 31 Cb 0.18 0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1ceu n VAL 31 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ceu n ARG 32 N -0.22 0.00 -2.81 5.55 5.12 -0.86 -4.92 116.66 118.53 1ceu n ARG 32 Ca 0.16 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.67 1ceu n ARG 32 Cb 0.79 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 32.10 1ceu n ARG 32 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1ceu n HIS 33 N -2.69 2.64 0.48 -1.55 1.44 -1.16 -4.74 115.22 109.64 1ceu n HIS 33 Ca 0.00 -2.66 0.06 0.00 -2.01 0.00 0.00 57.72 53.10 1ceu n HIS 33 Cb 0.00 -1.17 0.02 0.00 0.12 0.00 0.00 29.99 28.96 1ceu n HIS 33 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 1ceu n PHE 34 N 0.45 0.00 -0.13 -1.40 -1.74 -1.26 -4.71 117.46 108.68 1ceu n PHE 34 Ca 0.38 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 57.23 1ceu n PHE 34 Cb 0.29 0.00 0.04 0.00 1.52 0.00 0.00 39.48 41.33 1ceu n PHE 34 CO 0.00 0.00 0.00 -1.35 -0.56 0.00 0.00 176.76 174.85 1ceu h PRO 35 N 1.66 0.18 -0.24 3.97 0.11 -1.94 -1.74 132.00 133.99 1ceu h PRO 35 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ceu h PRO 35 Cb 0.42 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1ceu h PRO 35 CO 0.00 0.12 0.00 0.54 -0.21 0.00 0.00 178.00 178.45 1ceu n ARG 36 N -5.13 1.63 0.01 1.05 1.74 -1.26 -0.50 116.66 114.20 1ceu n ARG 36 Ca 0.03 -0.98 0.12 0.00 -0.77 0.00 0.00 57.85 56.25 1ceu n ARG 36 Cb 0.20 -1.26 0.21 0.00 -1.02 0.00 0.00 32.46 30.59 1ceu n ARG 36 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ceu n ILE 37 N 0.27 0.03 -0.12 0.55 -0.00 -0.68 -1.51 119.36 117.91 1ceu n ILE 37 Ca 0.11 -0.03 -0.23 0.00 -0.00 0.00 0.00 62.75 62.59 1ceu n ILE 37 Cb 0.25 0.27 -0.09 0.00 -0.00 0.00 0.00 39.64 40.07 1ceu n ILE 37 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 176.55 177.34 1ceu n TRP 38 N -1.57 0.00 -0.06 1.39 7.02 -0.50 -4.40 117.44 119.32 1ceu n TRP 38 Ca 0.05 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.40 1ceu n TRP 38 Cb 0.35 -0.85 -0.12 0.00 -2.42 0.00 0.00 31.31 28.26 1ceu n TRP 38 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1ceu h LEU 39 N -0.66 -0.00 0.00 -0.99 6.46 -0.88 -0.77 115.31 118.46 1ceu h LEU 39 Ca -0.58 -0.90 -0.03 0.00 -0.12 0.00 0.00 57.88 56.24 1ceu h LEU 39 Cb 1.58 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1ceu h LEU 39 CO -0.30 0.92 -0.21 1.12 -0.62 0.00 0.00 178.44 179.34 1ceu h HIS 40 N -0.94 0.00 -0.24 1.25 2.07 -1.51 0.27 115.15 116.05 1ceu h HIS 40 Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1ceu h HIS 40 Cb 0.90 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.87 1ceu h HIS 40 CO 0.25 0.16 0.04 1.03 -3.07 0.00 0.00 177.93 176.33 1ceu h SER 41 N 0.00 0.38 -0.30 3.10 0.87 -1.58 0.14 113.55 116.15 1ceu h SER 41 Ca -0.00 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.13 1ceu h SER 41 Cb 1.13 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1ceu h SER 41 CO 0.02 0.54 -0.44 0.25 -0.53 0.00 0.00 176.83 176.68 1ceu h LEU 42 N 0.19 0.90 -0.84 2.23 5.85 -1.14 0.81 115.31 123.31 1ceu h LEU 42 Ca 0.07 -0.51 0.16 0.00 0.84 0.00 0.00 57.88 58.45 1ceu h LEU 42 Cb 0.33 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 1ceu h LEU 42 CO 0.01 1.23 0.40 1.23 -0.34 0.00 0.00 178.44 180.96 1ceu h GLY 43 N 0.59 1.37 0.58 3.75 0.00 -0.38 -0.53 103.07 108.45 1ceu h GLY 43 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1ceu h GLY 43 CO 0.10 -0.11 -0.02 -1.61 0.00 0.00 0.00 176.54 174.90 1ceu h GLN 44 N 0.53 -0.06 -1.92 4.80 4.15 -0.53 -2.08 115.11 120.00 1ceu h GLN 44 Ca 0.48 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.70 1ceu h GLN 44 Cb 0.75 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.38 1ceu h GLN 44 CO -0.41 0.35 0.00 -2.39 -1.93 0.00 0.00 178.83 174.45 1ceu n HIS 45 N -4.92 0.52 0.16 3.99 1.44 0.26 -0.90 115.22 115.78 1ceu n HIS 45 Ca -0.08 -1.49 0.00 0.00 -2.01 0.00 0.00 57.72 54.14 1ceu n HIS 45 Cb 0.23 -1.09 0.00 0.00 0.12 0.00 0.00 29.99 29.25 1ceu n HIS 45 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1ceu n ILE 46 N 1.54 0.00 0.08 0.61 2.08 -0.62 -4.57 119.36 118.48 1ceu n ILE 46 Ca 0.27 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.44 1ceu n ILE 46 Cb 0.66 -0.43 -0.08 0.00 -0.75 0.00 0.00 39.64 39.04 1ceu n ILE 46 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1ceu h TYR 47 N 0.00 -1.39 -0.53 1.39 3.20 -1.26 -2.74 116.97 115.64 1ceu h TYR 47 Ca 0.00 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 1ceu h TYR 47 Cb 0.00 0.60 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1ceu h TYR 47 CO 0.00 -0.55 -0.14 0.93 -1.64 0.00 0.00 178.16 176.76 1ceu h GLU 48 N -0.66 1.02 -3.81 1.82 5.08 -1.26 -3.32 114.58 113.44 1ceu h GLU 48 Ca 0.02 -0.40 -0.71 0.00 -1.00 0.00 0.00 59.36 57.27 1ceu h GLU 48 Cb 0.71 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1ceu h GLU 48 CO -0.31 1.09 3.03 2.41 -1.00 0.00 0.00 179.01 184.22 1ceu n THR 49 N -4.13 3.69 0.20 1.13 -1.04 -1.04 -4.76 114.28 108.34 1ceu n THR 49 Ca 0.01 -3.20 -0.15 0.00 -2.04 0.00 0.00 64.05 58.67 1ceu n THR 49 Cb 0.42 -2.56 -0.08 0.00 -1.82 0.00 0.00 70.33 66.29 1ceu n THR 49 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1ceu h TYR 50 N 5.85 -0.43 0.00 -1.42 0.05 -1.66 -3.41 116.97 115.94 1ceu h TYR 50 Ca 0.57 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.34 1ceu h TYR 50 Cb 0.60 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.48 1ceu h TYR 50 CO 1.47 -0.23 0.00 0.41 -1.05 0.00 0.00 178.16 178.76