#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 5.05 -1.28 4.31 -1.08 -1.26 -5.04 116.67 117.37 2bic s ASP 2 Ca 0.00 -1.67 -0.15 0.00 -0.52 0.00 0.00 52.55 50.21 2bic s ASP 2 Cb 0.00 -1.76 0.12 0.00 -1.46 0.00 0.00 42.92 39.82 2bic s ASP 2 CO 0.00 -0.39 1.71 -0.81 0.52 0.00 0.00 175.17 176.19 2bic n PRO 3 N 4.58 3.28 -3.32 4.34 -0.04 -1.26 -4.93 135.00 137.65 2bic n PRO 3 Ca -0.07 -3.44 -0.43 0.00 -0.04 0.00 0.00 63.50 59.52 2bic n PRO 3 Cb 0.42 -3.22 -0.08 0.00 -0.04 0.00 0.00 33.50 30.57 2bic n PRO 3 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bic s LEU 4 N 2.39 4.98 -0.79 1.53 0.20 -1.26 -4.99 118.68 120.73 2bic s LEU 4 Ca 0.47 -0.79 0.02 0.00 0.69 0.00 0.00 54.13 54.52 2bic s LEU 4 Cb 0.03 -2.35 0.22 0.00 -0.43 0.00 0.00 46.19 43.66 2bic s LEU 4 CO 0.02 -0.61 0.73 -1.22 -0.29 0.00 0.00 176.35 174.99 2bic n TYR 5 N 5.57 3.65 -0.55 5.38 4.01 -1.26 -4.77 117.16 129.19 2bic n TYR 5 Ca -0.08 -4.09 -0.21 0.00 -0.16 0.00 0.00 57.90 53.35 2bic n TYR 5 Cb 0.47 -0.85 -0.03 0.00 -0.31 0.00 0.00 39.34 38.62 2bic n TYR 5 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bic n GLN 7 N 1.21 3.47 -3.15 0.00 7.27 -1.26 -4.94 117.38 119.97 2bic n GLN 7 Ca 0.10 -4.11 -0.32 0.00 0.07 0.00 0.00 57.00 52.74 2bic n GLN 7 Cb -0.02 -2.83 -0.05 0.00 2.41 0.00 0.00 30.24 29.76 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic s ALA 8 N 0.28 3.40 -0.40 1.69 0.00 -1.26 -4.85 121.76 120.61 2bic s ALA 8 Ca 0.38 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 2bic s ALA 8 Cb -0.05 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.43 2bic s ALA 8 CO -0.03 0.28 1.42 -1.50 0.00 0.00 0.00 175.76 175.94 2bic s ILE 9 N -2.05 3.89 0.00 0.00 -1.16 -1.26 -3.06 121.20 117.56 2bic s ILE 9 Ca 0.51 0.92 0.00 0.00 -0.51 0.00 0.00 60.65 61.57 2bic s ILE 9 Cb -0.10 -4.18 0.00 0.00 0.61 0.00 0.00 42.46 38.79 2bic s ILE 9 CO 0.22 -0.73 0.00 0.61 -2.81 0.00 0.00 174.94 172.23 2bic n GLY 10 N 5.06 3.37 3.75 1.50 0.00 -1.26 -4.98 105.19 112.63 2bic n GLY 10 Ca 0.17 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2bic n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bic n PRO 12 N -1.64 -3.35 -0.73 0.00 -0.02 -1.26 -4.79 135.00 123.22 2bic n PRO 12 Ca 0.14 -0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 60.35 2bic n PRO 12 Cb 0.49 -1.95 0.22 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.23 2.12 0.13 3.45 -1.32 -1.26 -4.77 115.64 111.76 2bic s THR 13 Ca 0.64 0.04 -0.24 0.00 -1.21 0.00 0.00 61.69 60.91 2bic s THR 13 Cb -0.17 -2.19 -0.02 0.00 -1.51 0.00 0.00 72.50 68.61 2bic s THR 13 CO 0.59 -0.05 1.63 -0.07 -2.21 0.00 0.00 174.62 174.52 2bic h LEU 14 N -2.29 -0.76 -7.88 9.08 3.38 -1.92 -3.25 115.31 111.67 2bic h LEU 14 Ca -0.56 0.12 -0.77 0.00 0.09 0.00 0.00 57.88 56.76 2bic h LEU 14 Cb 1.32 0.33 -0.24 0.00 0.09 0.00 0.00 40.66 42.16 2bic h LEU 14 CO 0.50 -0.30 0.25 -0.31 0.09 0.00 0.00 178.44 178.67 2bic s TYR 15 N -6.07 3.60 0.32 1.13 2.02 -1.26 -4.45 117.35 112.64 2bic s TYR 15 Ca -0.15 -1.83 -0.04 0.00 -0.37 0.00 0.00 57.07 54.68 2bic s TYR 15 Cb 0.10 -3.92 -0.00 0.00 -0.40 0.00 0.00 41.96 37.74 2bic s TYR 15 CO 0.67 -1.11 0.46 -1.54 -1.57 0.00 0.00 175.55 172.46 2bic s SER 16 N 2.54 0.68 0.07 2.29 1.04 -1.23 -5.07 113.70 114.03 2bic s SER 16 Ca 0.21 -1.38 -0.18 0.00 0.48 0.00 0.00 55.95 55.07 2bic s SER 16 Cb -0.10 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.56 2bic s SER 16 CO -0.08 -1.25 1.44 -0.33 0.98 0.00 0.00 173.24 174.00 2bic h GLU 17 N 2.16 0.47 0.38 4.02 4.39 -1.94 -3.24 114.58 120.82 2bic h GLU 17 Ca -0.28 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 2bic h GLU 17 Cb 1.24 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2bic h GLU 17 CO 0.39 0.74 -0.18 0.00 -1.16 0.00 0.00 179.01 178.80 2bic h ALA 18 N 0.72 -0.61 -0.98 3.43 0.00 -1.98 -3.36 119.26 116.50 2bic h ALA 18 Ca 0.05 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.07 2bic h ALA 18 Cb 0.59 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.39 2bic h ALA 18 CO 0.03 -0.57 -0.14 -0.97 0.00 0.00 0.00 179.25 177.60 2bic h ASN 19 N -0.92 -0.74 -0.55 0.00 -0.73 -1.81 0.24 115.58 111.05 2bic h ASN 19 Ca -0.05 0.29 0.07 0.00 1.87 0.00 0.00 56.30 58.47 2bic h ASN 19 Cb 0.39 0.56 -0.06 0.00 0.27 0.00 0.00 38.32 39.48 2bic h ASN 19 CO 0.09 -0.33 0.24 -0.07 -0.37 0.00 0.00 177.43 176.99 2bic h LEU 20 N 0.00 0.31 -0.18 0.34 4.07 -1.72 0.24 115.31 118.37 2bic h LEU 20 Ca 0.51 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.48 2bic h LEU 20 Cb 0.90 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 2bic h LEU 20 CO -0.97 0.20 -0.07 0.00 -1.08 0.00 0.00 178.44 176.52 2bic h ALA 21 N 1.34 0.25 -0.26 1.53 0.00 -1.10 -2.35 119.26 118.66 2bic h ALA 21 Ca 0.26 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2bic h ALA 21 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2bic h ALA 21 CO -0.22 0.04 -0.33 -0.39 0.00 0.00 0.00 179.25 178.35 2bic h VAL 22 N 0.05 1.29 -0.13 0.00 -1.51 -1.24 -2.82 116.25 111.89 2bic h VAL 22 Ca 0.04 -1.44 -0.13 0.00 -1.23 0.00 0.00 66.70 63.95 2bic h VAL 22 Cb 0.53 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 2bic h VAL 22 CO 0.02 0.46 -0.47 0.28 -1.23 0.00 0.00 177.57 176.63 2bic h SER 23 N 0.47 0.36 -0.55 4.19 0.02 -0.58 -2.86 113.55 114.58 2bic h SER 23 Ca 0.05 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 2bic h SER 23 Cb 0.80 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2bic h SER 23 CO 0.06 0.78 0.06 0.50 -1.14 0.00 0.00 176.83 177.10 2bic h LYS 24 N 0.27 0.97 -0.50 3.45 3.64 -1.27 0.12 116.57 123.25 2bic h LYS 24 Ca 0.02 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2bic h LYS 24 Cb 0.93 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2bic h LYS 24 CO 0.08 0.92 0.30 0.93 -2.27 0.00 0.00 179.45 179.41 2bic h GLU 25 N 0.91 0.69 -0.06 1.90 5.08 -1.41 -2.62 114.58 119.06 2bic h GLU 25 Ca 0.18 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2bic h GLU 25 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2bic h GLU 25 CO 0.02 0.51 -0.65 0.00 -1.00 0.00 0.00 179.01 177.88 2bic h ARG 27 N 0.17 0.72 -0.22 0.00 9.65 -0.86 -2.89 114.38 120.96 2bic h ARG 27 Ca -0.01 -0.37 -0.04 0.00 -1.10 0.00 0.00 59.98 58.46 2bic h ARG 27 Cb 1.18 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 2bic h ARG 27 CO 0.10 0.98 -0.05 0.38 2.80 0.00 0.00 179.97 184.18 2bic h ASP 28 N 0.60 0.31 -2.20 -3.80 3.04 -1.54 -3.36 116.42 109.47 2bic h ASP 28 Ca 0.05 -0.05 -0.52 0.00 -3.24 0.00 0.00 57.03 53.26 2bic h ASP 28 Cb 0.93 -0.08 -0.35 0.00 -1.04 0.00 0.00 39.33 38.78 2bic h ASP 28 CO 0.08 0.42 -0.89 -1.58 -2.04 0.00 0.00 179.24 175.23 2bic s GLN 29 N -4.87 0.86 0.00 4.15 0.74 -1.22 -4.91 119.66 114.40 2bic s GLN 29 Ca -0.06 -1.80 0.00 0.00 0.05 0.00 0.00 55.36 53.54 2bic s GLN 29 Cb 0.16 -1.19 0.00 0.00 1.10 0.00 0.00 33.01 33.08 2bic s GLN 29 CO 0.74 -1.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.54 2bic n GLY 30 N 3.10 0.00 3.51 2.59 0.00 -1.09 -4.89 105.19 108.42 2bic n GLY 30 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2bic n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bic s LYS 31 N 0.00 3.40 0.00 1.61 2.47 -1.26 -4.53 119.74 121.43 2bic s LYS 31 Ca 0.00 -0.97 0.00 0.00 -1.56 0.00 0.00 55.97 53.44 2bic s LYS 31 Cb 0.00 -4.75 0.00 0.00 -1.46 0.00 0.00 37.83 31.62 2bic s LYS 31 CO 0.00 -2.03 0.00 1.28 0.16 0.00 0.00 175.35 174.76 2bic n LEU 32 N 8.30 0.25 0.00 5.43 4.77 -1.26 -5.07 117.00 129.42 2bic n LEU 32 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2bic n LEU 32 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2bic n LEU 32 CO 0.64 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2bic n GLY 33 N 1.76 0.81 0.61 -0.72 0.00 -1.26 -4.98 105.19 101.41 2bic n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bic n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bic n ASP 34 N 0.00 0.00 0.24 1.61 -0.08 -1.26 -4.96 116.55 112.09 2bic n ASP 34 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 2bic n ASP 34 Cb 0.00 0.15 0.55 0.00 2.34 0.00 0.00 41.12 44.17 2bic n ASP 34 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2bic h ASP 35 N 0.00 0.00 -0.36 1.67 -0.00 -1.94 -3.26 116.42 112.53 2bic h ASP 35 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 57.04 2bic h ASP 35 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 2bic h ASP 35 CO 0.00 0.13 0.24 -0.26 -0.00 0.00 0.00 179.24 179.35 2bic h PHE 36 N 0.00 0.42 0.35 0.28 0.04 -1.93 0.22 116.94 116.32 2bic h PHE 36 Ca -0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2bic h PHE 36 Cb 0.22 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2bic h PHE 36 CO 0.00 0.26 -0.17 1.25 -0.60 0.00 0.00 178.31 179.05 2bic h HIS 37 N 0.45 -0.44 -0.08 -0.55 2.76 -1.89 -2.89 115.15 112.51 2bic h HIS 37 Ca 0.14 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.16 2bic h HIS 37 Cb 0.01 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2bic h HIS 37 CO -0.00 -0.13 -0.55 0.07 -1.30 0.00 0.00 177.93 176.02 2bic h ARG 38 N -0.75 0.24 -0.30 5.26 0.11 -1.70 -3.29 114.38 113.96 2bic h ARG 38 Ca -0.05 -0.15 -0.06 0.00 0.10 0.00 0.00 59.98 59.82 2bic h ARG 38 Cb 0.51 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 2bic h ARG 38 CO 0.08 0.73 -0.05 0.00 0.10 0.00 0.00 179.97 180.83 2bic h GLU 41 N 0.75 -0.21 -0.48 0.00 5.08 -1.62 -1.14 114.58 116.96 2bic h GLU 41 Ca 0.13 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2bic h GLU 41 Cb 0.56 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 2bic h GLU 41 CO 0.03 -0.14 -0.20 0.39 -1.00 0.00 0.00 179.01 178.10 2bic n GLU 42 N -5.33 -0.12 -0.11 2.33 -0.58 -1.21 -0.92 120.64 114.69 2bic n GLU 42 Ca -0.02 0.74 -0.14 0.00 -0.42 0.00 0.00 57.16 57.32 2bic n GLU 42 Cb 0.25 -1.10 -0.14 0.00 -0.57 0.00 0.00 31.44 29.87 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 -4.70 0.67 0.08 3.49 6.02 -1.22 -4.73 117.38 116.99 2bic n GLN 43 Ca 0.05 0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 2bic n GLN 43 Cb 0.19 -1.53 -0.08 0.00 1.02 0.00 0.00 30.24 29.84 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 -0.85 1.77 1.20 0.00 0.00 -0.10 -4.63 105.19 102.60 2bic n GLY 45 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2bic n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bic n SER 46 N 7.71 0.00 -3.79 1.61 2.88 -1.26 -3.94 113.62 116.82 2bic n SER 46 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2bic n SER 46 Cb 0.00 0.17 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 2bic n SER 46 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2bic s THR 47 N -0.60 -0.04 -0.05 2.46 -4.23 -1.26 -4.09 115.64 107.82 2bic s THR 47 Ca 0.00 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 2bic s THR 47 Cb 0.00 -0.08 0.02 0.00 1.34 0.00 0.00 72.50 73.78 2bic s THR 47 CO 0.00 0.06 0.14 0.28 -0.54 0.00 0.00 174.62 174.56 2bic s THR 48 N 0.80 -0.01 0.12 3.99 -1.32 -1.26 -5.14 115.64 112.81 2bic s THR 48 Ca -0.07 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 2bic s THR 48 Cb -0.09 -0.20 -0.06 0.00 -1.51 0.00 0.00 72.50 70.63 2bic s THR 48 CO -0.02 0.01 1.02 -2.16 -2.21 0.00 0.00 174.62 171.25 2bic s PRO 49 N 0.19 4.64 -0.43 7.08 0.04 -1.26 -4.99 135.00 140.28 2bic s PRO 49 Ca -0.01 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.30 2bic s PRO 49 Cb -0.02 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.19 2bic s PRO 49 CO -0.01 0.12 1.00 0.00 0.04 0.00 0.00 177.00 178.16 2bic s ALA 50 N 0.10 3.28 -0.13 8.56 0.00 -1.26 -4.91 121.76 127.39 2bic s ALA 50 Ca 0.49 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 2bic s ALA 50 Cb -0.25 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 2bic s ALA 50 CO 0.31 -1.95 -0.14 0.66 0.00 0.00 0.00 175.76 174.64 2bic h SER 51 N 8.88 0.00 -0.02 0.00 4.64 -2.08 -3.57 113.55 121.39 2bic h SER 51 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2bic h SER 51 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2bic h SER 51 CO 1.04 0.70 0.00 0.00 -0.87 0.00 0.00 176.83 177.70