#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bic s ASP 2 N 0.00 6.84 0.10 -1.84 -4.77 -1.26 -4.99 116.67 110.75 2bic s ASP 2 Ca 0.00 1.78 -0.05 0.00 -3.30 0.00 0.00 52.55 50.97 2bic s ASP 2 Cb 0.00 -2.55 -0.18 0.00 -1.09 0.00 0.00 42.92 39.09 2bic s ASP 2 CO 0.00 -0.43 1.22 1.55 0.70 0.00 0.00 175.17 178.21 2bic h PRO 3 N 1.99 0.38 0.00 2.11 0.13 -2.03 -3.48 132.00 131.10 2bic h PRO 3 Ca -0.49 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 2bic h PRO 3 Cb 1.19 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2bic h PRO 3 CO 0.61 1.18 0.00 -0.11 -0.23 0.00 0.00 178.00 179.45 2bic n LEU 4 N -3.67 0.00 -4.95 1.56 7.94 -1.26 -4.91 117.00 111.72 2bic n LEU 4 Ca -0.08 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.59 2bic n LEU 4 Cb 0.92 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.87 2bic n LEU 4 CO 0.53 0.00 0.20 -0.31 -1.11 0.00 0.00 177.39 176.70 2bic s TYR 5 N 0.00 3.41 -1.13 1.96 2.02 -1.26 -4.65 117.35 117.70 2bic s TYR 5 Ca 0.00 0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.79 2bic s TYR 5 Cb 0.00 -2.01 0.08 0.00 -0.40 0.00 0.00 41.96 39.63 2bic s TYR 5 CO 0.00 -0.01 1.51 0.00 -1.57 0.00 0.00 175.55 175.47 2bic n GLN 7 N 8.00 1.63 0.00 0.00 -0.06 -1.26 -4.73 117.38 120.95 2bic n GLN 7 Ca 0.38 -4.22 0.00 0.00 -2.00 0.00 0.00 57.00 51.16 2bic n GLN 7 Cb 0.48 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.55 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bic n ALA 8 N 1.83 0.00 -0.00 1.69 0.00 -1.26 -5.03 120.51 117.74 2bic n ALA 8 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.68 2bic n ALA 8 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 2bic n ALA 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2bic n ILE 9 N 0.00 0.02 -0.08 0.00 2.08 -1.26 -4.81 119.36 115.31 2bic n ILE 9 Ca 0.00 0.50 -0.16 0.00 0.56 0.00 0.00 62.75 63.65 2bic n ILE 9 Cb 0.00 -1.51 -0.11 0.00 -0.75 0.00 0.00 39.64 37.27 2bic n ILE 9 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2bic h GLY 10 N -0.01 0.00 -0.24 7.39 0.00 -1.91 -3.49 103.07 104.80 2bic h GLY 10 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2bic h GLY 10 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 2bic n PRO 12 N 0.06 -2.13 -0.67 0.00 -0.02 -1.26 -4.91 135.00 126.06 2bic n PRO 12 Ca 0.01 -0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 60.59 2bic n PRO 12 Cb 0.01 -1.81 0.20 0.00 -0.02 0.00 0.00 33.50 31.88 2bic n PRO 12 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2bic s THR 13 N -2.26 2.12 0.11 3.45 -1.32 -1.26 -4.84 115.64 111.64 2bic s THR 13 Ca 0.59 0.04 -0.25 0.00 -1.21 0.00 0.00 61.69 60.85 2bic s THR 13 Cb -0.15 -2.12 -0.08 0.00 -1.51 0.00 0.00 72.50 68.64 2bic s THR 13 CO 0.64 -0.05 1.66 -0.07 -2.21 0.00 0.00 174.62 174.59 2bic h LEU 14 N -2.20 -0.52 -5.24 9.08 4.07 -1.98 -3.10 115.31 115.42 2bic h LEU 14 Ca -0.52 0.07 -0.77 0.00 0.08 0.00 0.00 57.88 56.73 2bic h LEU 14 Cb 1.30 0.21 -0.27 0.00 1.08 0.00 0.00 40.66 42.98 2bic h LEU 14 CO 0.47 -0.26 1.05 -1.22 -1.08 0.00 0.00 178.44 177.41 2bic n TYR 15 N -5.31 2.89 -3.85 1.13 4.01 -1.26 -4.57 117.16 110.19 2bic n TYR 15 Ca -0.06 -2.36 -0.22 0.00 -0.16 0.00 0.00 57.90 55.10 2bic n TYR 15 Cb 0.23 -1.20 -0.04 0.00 -0.31 0.00 0.00 39.34 38.01 2bic n TYR 15 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2bic s SER 16 N -1.07 5.03 0.09 7.72 1.04 -1.17 -5.03 113.70 120.31 2bic s SER 16 Ca 0.50 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 56.10 2bic s SER 16 Cb 0.39 -0.80 -0.07 0.00 0.10 0.00 0.00 66.02 65.64 2bic s SER 16 CO -0.35 -0.41 1.50 -0.08 0.98 0.00 0.00 173.24 174.87 2bic h GLU 17 N 1.29 0.56 -0.33 4.02 4.81 -1.93 -2.39 114.58 120.62 2bic h GLU 17 Ca -0.44 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.52 2bic h GLU 17 Cb 1.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2bic h GLU 17 CO 0.60 0.75 -0.05 0.00 -0.73 0.00 0.00 179.01 179.59 2bic h ALA 18 N 0.79 0.45 0.00 2.92 0.00 -1.96 -3.12 119.26 118.34 2bic h ALA 18 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2bic h ALA 18 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2bic h ALA 18 CO 0.03 0.26 -0.27 -0.97 0.00 0.00 0.00 179.25 178.30 2bic h ASN 19 N 0.41 0.00 -0.86 0.00 -1.24 -1.82 -3.16 115.58 108.90 2bic h ASN 19 Ca 0.09 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.11 2bic h ASN 19 Cb 0.53 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.53 2bic h ASN 19 CO 0.03 0.27 0.57 0.25 -1.29 0.00 0.00 177.43 177.25 2bic h LEU 20 N 0.00 0.98 -0.15 0.34 5.85 -1.35 0.20 115.31 121.17 2bic h LEU 20 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2bic h LEU 20 Cb 0.48 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2bic h LEU 20 CO 0.03 0.70 -0.06 0.00 -0.34 0.00 0.00 178.44 178.78 2bic h ALA 21 N 1.33 0.21 -0.37 1.25 0.00 -1.64 -2.11 119.26 117.92 2bic h ALA 21 Ca 0.32 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2bic h ALA 21 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bic h ALA 21 CO -0.08 -0.01 -0.41 -0.24 0.00 0.00 0.00 179.25 178.51 2bic h VAL 22 N -0.02 1.27 0.00 0.00 3.04 -1.60 -2.54 116.25 116.41 2bic h VAL 22 Ca 0.04 -1.59 -0.01 0.00 -1.01 0.00 0.00 66.70 64.12 2bic h VAL 22 Cb 0.51 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2bic h VAL 22 CO 0.02 0.53 -0.06 0.77 -1.01 0.00 0.00 177.57 177.82 2bic h SER 23 N 0.74 0.00 1.46 3.17 4.64 -1.02 0.18 113.55 122.72 2bic h SER 23 Ca 0.05 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2bic h SER 23 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2bic h SER 23 CO 0.10 0.06 -0.56 0.50 -0.87 0.00 0.00 176.83 176.06 2bic h LYS 24 N 0.00 0.00 0.00 4.77 1.63 -1.15 -2.95 116.57 118.87 2bic h LYS 24 Ca -0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 2bic h LYS 24 Cb 0.37 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 2bic h LYS 24 CO 0.01 0.29 -0.75 1.49 -3.45 0.00 0.00 179.45 177.04 2bic h GLU 25 N 0.00 0.01 0.00 1.90 4.57 -1.00 -3.37 114.58 116.69 2bic h GLU 25 Ca -0.03 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 2bic h GLU 25 Cb 1.28 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 2bic h GLU 25 CO 0.04 1.01 -0.46 0.00 -1.18 0.00 0.00 179.01 178.42 2bic h ARG 27 N 0.00 0.00 0.12 0.00 2.43 -1.71 -2.89 114.38 112.33 2bic h ARG 27 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 2bic h ARG 27 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2bic h ARG 27 CO 0.06 0.23 -1.20 0.22 -1.51 0.00 0.00 179.97 177.77 2bic h ASP 28 N 0.00 0.40 -0.90 -3.80 3.58 -1.60 -3.38 116.42 110.72 2bic h ASP 28 Ca -0.00 -0.88 -0.73 0.00 0.42 0.00 0.00 57.03 55.84 2bic h ASP 28 Cb 0.55 -0.13 -0.11 0.00 1.72 0.00 0.00 39.33 41.36 2bic h ASP 28 CO 0.03 1.54 2.39 0.00 -2.88 0.00 0.00 179.24 180.32 2bic n GLN 29 N -4.01 3.28 -4.07 0.28 6.02 0.40 -4.90 117.38 114.37 2bic n GLN 29 Ca -0.21 -3.19 -0.23 0.00 -0.01 0.00 0.00 57.00 53.35 2bic n GLN 29 Cb 0.87 -3.12 -0.17 0.00 1.02 0.00 0.00 30.24 28.84 2bic n GLN 29 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2bic s GLY 30 N 2.17 0.60 0.00 1.08 0.00 -1.10 -4.70 107.32 105.37 2bic s GLY 30 Ca 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2bic s GLY 30 CO -0.02 0.64 0.00 1.17 0.00 0.00 0.00 173.10 174.89 2bic n LYS 31 N 4.49 0.00 -3.30 2.90 4.81 -1.26 -4.96 118.16 120.83 2bic n LYS 31 Ca -0.17 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.01 2bic n LYS 31 Cb 0.51 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.47 2bic n LYS 31 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2bic n LEU 32 N 0.00 -0.31 0.00 3.14 4.77 -1.26 -4.95 117.00 118.40 2bic n LEU 32 Ca 0.00 -4.46 0.00 0.00 -0.03 0.00 0.00 56.01 51.52 2bic n LEU 32 Cb 0.00 0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2bic n LEU 32 CO 0.00 1.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.61 2bic n GLY 33 N 2.30 1.75 0.03 -0.72 0.00 -1.26 -4.80 105.19 102.49 2bic n GLY 33 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2bic n GLY 33 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bic h ASP 34 N 0.00 -0.07 0.00 1.61 2.03 -2.00 -3.39 116.42 114.60 2bic h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2bic h ASP 34 Cb 0.00 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2bic h ASP 34 CO 0.00 -0.03 0.00 -0.67 -1.03 0.00 0.00 179.24 177.51 2bic n ASP 35 N -2.32 0.00 -0.27 4.15 -0.08 -1.26 -1.77 116.55 115.00 2bic n ASP 35 Ca -0.01 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.37 2bic n ASP 35 Cb 0.03 0.00 0.20 0.00 2.34 0.00 0.00 41.12 43.69 2bic n ASP 35 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2bic n PHE 36 N -2.51 0.44 -0.29 -0.67 3.72 -1.26 -2.68 117.46 114.20 2bic n PHE 36 Ca 0.00 0.93 -0.00 0.00 -0.05 0.00 0.00 57.45 58.33 2bic n PHE 36 Cb 0.00 -1.05 0.04 0.00 -0.94 0.00 0.00 39.48 37.54 2bic n PHE 36 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2bic n HIS 37 N -5.11 0.05 0.31 1.38 -0.00 -0.73 -1.01 115.22 110.11 2bic n HIS 37 Ca 0.17 0.95 -0.13 0.00 0.46 0.00 0.00 57.72 59.17 2bic n HIS 37 Cb 0.54 -0.81 -0.06 0.00 -0.12 0.00 0.00 29.99 29.55 2bic n HIS 37 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2bic h ARG 38 N 0.00 -0.79 -0.85 1.57 3.08 -1.78 -3.10 114.38 112.51 2bic h ARG 38 Ca 0.28 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.57 2bic h ARG 38 Cb 0.47 0.18 -0.16 0.00 0.08 0.00 0.00 29.97 30.54 2bic h ARG 38 CO -0.77 -0.53 -0.15 0.00 -1.07 0.00 0.00 179.97 177.45 2bic h GLU 41 N 0.34 0.12 0.00 0.00 5.08 -0.93 -2.68 114.58 116.51 2bic h GLU 41 Ca -0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2bic h GLU 41 Cb 1.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2bic h GLU 41 CO 0.12 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.22 2bic n GLU 42 N -4.67 0.00 -0.27 2.33 -0.58 -0.02 -3.14 120.64 114.29 2bic n GLU 42 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2bic n GLU 42 Cb 0.36 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.28 2bic n GLU 42 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2bic n GLN 43 N 0.00 -0.14 0.24 3.49 6.02 -0.87 -1.99 117.38 124.13 2bic n GLN 43 Ca 0.00 1.09 -0.10 0.00 -0.01 0.00 0.00 57.00 57.98 2bic n GLN 43 Cb 0.00 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bic n GLY 45 N 0.03 0.86 3.49 0.00 0.00 -0.84 -4.87 105.19 103.85 2bic n GLY 45 Ca -0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2bic n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bic s SER 46 N -1.00 -0.60 -0.02 1.61 1.04 -1.19 -4.84 113.70 108.71 2bic s SER 46 Ca 0.00 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.42 2bic s SER 46 Cb 0.00 0.98 0.02 0.00 0.10 0.00 0.00 66.02 67.12 2bic s SER 46 CO 0.00 -0.33 -0.00 0.42 0.98 0.00 0.00 173.24 174.30 2bic s THR 47 N -0.22 0.18 0.07 2.02 -4.23 -1.26 -4.96 115.64 107.23 2bic s THR 47 Ca -0.04 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.31 2bic s THR 47 Cb -0.03 -0.25 -0.07 0.00 1.34 0.00 0.00 72.50 73.49 2bic s THR 47 CO 0.03 0.13 0.63 0.28 -0.54 0.00 0.00 174.62 175.15 2bic s THR 48 N 0.81 4.71 -0.78 3.99 -1.32 -1.26 -5.00 115.64 116.78 2bic s THR 48 Ca -0.08 1.35 -0.26 0.00 -1.21 0.00 0.00 61.69 61.49 2bic s THR 48 Cb -0.11 -3.97 0.03 0.00 -1.51 0.00 0.00 72.50 66.94 2bic s THR 48 CO -0.01 0.50 1.31 -2.16 -2.21 0.00 0.00 174.62 172.04 2bic s PRO 49 N -0.81 3.25 -0.29 7.08 0.04 -1.26 -4.90 135.00 138.11 2bic s PRO 49 Ca 0.32 -0.37 -0.03 0.00 0.04 0.00 0.00 61.00 60.95 2bic s PRO 49 Cb -0.20 -4.36 0.17 0.00 0.04 0.00 0.00 34.50 30.15 2bic s PRO 49 CO 0.20 -2.16 0.58 0.00 0.04 0.00 0.00 177.00 175.66 2bic s ALA 50 N 5.64 -2.03 0.00 8.56 0.00 -1.26 -5.09 121.76 127.58 2bic s ALA 50 Ca 0.37 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.16 2bic s ALA 50 Cb -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2bic s ALA 50 CO 0.11 -1.21 0.00 0.45 0.00 0.00 0.00 175.76 175.11 2bic n SER 51 N 5.42 0.00 0.00 0.00 2.88 -1.26 -5.28 113.62 115.38 2bic n SER 51 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2bic n SER 51 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2bic n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81