#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tot s GLN 2 N 0.00 1.40 0.15 1.61 0.00 -1.26 -3.34 119.66 118.22 1tot s GLN 2 Ca 0.00 -1.32 -0.20 0.00 -0.00 0.00 0.00 55.36 53.84 1tot s GLN 2 Cb 0.00 0.41 0.05 0.00 0.00 0.00 0.00 33.01 33.47 1tot s GLN 2 CO 0.00 -0.55 0.52 0.34 0.00 0.00 0.00 175.29 175.60 1tot s ASP 3 N -3.04 -0.40 0.63 12.60 2.15 0.37 -4.84 116.67 124.15 1tot s ASP 3 Ca 0.25 -0.19 0.35 0.00 0.43 0.00 0.00 52.55 53.39 1tot s ASP 3 Cb 0.02 0.55 1.96 0.00 -0.30 0.00 0.00 42.92 45.15 1tot s ASP 3 CO 0.08 -0.94 2.19 0.08 -0.17 0.00 0.00 175.17 176.41 1tot h ARG 4 N 2.16 0.00 0.00 4.34 -0.00 -2.03 -3.27 114.38 115.58 1tot h ARG 4 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 1tot h ARG 4 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1tot h ARG 4 CO 0.41 0.00 0.00 1.97 -0.00 0.00 0.00 179.97 182.35 1tot n PHE 5 N -3.38 0.00 -4.29 4.08 1.16 -1.26 -5.10 117.46 108.67 1tot n PHE 5 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.40 1tot n PHE 5 Cb 0.21 0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 37.99 1tot n PHE 5 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1tot s VAL 6 N 0.00 1.46 0.00 1.97 1.01 -1.23 -4.65 120.40 118.96 1tot s VAL 6 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.92 1tot s VAL 6 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1tot s VAL 6 CO 0.00 -0.61 0.00 -1.22 0.00 0.00 0.00 175.10 173.27 1tot n TYR 7 N -0.12 -0.29 -4.34 5.22 4.01 0.57 -0.48 117.16 121.73 1tot n TYR 7 Ca -0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.46 1tot n TYR 7 Cb 0.60 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.52 1tot n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1tot s THR 8 N -2.74 1.25 -0.35 -0.72 -4.23 -1.21 -1.02 115.64 106.62 1tot s THR 8 Ca 0.00 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.33 1tot s THR 8 Cb 0.00 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.62 1tot s THR 8 CO 0.00 -0.43 0.18 0.00 -0.54 0.00 0.00 174.62 173.83 1tot n ASN 10 N 4.97 0.00 -0.04 0.00 5.15 0.00 0.45 115.26 125.80 1tot n ASN 10 Ca -0.12 -0.29 -0.05 0.00 -0.60 0.00 0.00 54.58 53.52 1tot n ASN 10 Cb 0.47 -0.06 -0.14 0.00 -0.53 0.00 0.00 39.78 39.52 1tot n ASN 10 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tot n GLU 11 N -1.06 0.66 0.04 1.20 -0.58 -1.25 -4.34 120.64 115.31 1tot n GLU 11 Ca 0.09 0.10 0.09 0.00 -0.42 0.00 0.00 57.16 57.01 1tot n GLU 11 Cb 0.05 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 29.19 1tot n GLU 11 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tot n LYS 13 N -2.55 -3.06 -4.15 0.00 4.01 0.17 -4.97 118.16 107.61 1tot n LYS 13 Ca -0.05 0.37 -0.10 0.00 -0.51 0.00 0.00 58.31 58.02 1tot n LYS 13 Cb 0.63 -4.67 -0.10 0.00 -0.51 0.00 0.00 35.03 30.38 1tot n LYS 13 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1tot s HIS 14 N -3.74 0.80 0.37 2.13 5.65 -1.24 -4.99 115.29 114.27 1tot s HIS 14 Ca 0.29 -0.95 -0.25 0.00 0.25 0.00 0.00 55.06 54.40 1tot s HIS 14 Cb -0.16 -0.48 -0.09 0.00 -1.18 0.00 0.00 32.58 30.67 1tot s HIS 14 CO 0.91 -0.20 1.03 -1.01 -0.65 0.00 0.00 174.74 174.82 1tot s HIS 15 N -3.67 3.40 0.01 3.88 3.76 -1.26 -1.23 115.29 120.18 1tot s HIS 15 Ca 0.10 1.68 -0.06 0.00 -0.15 0.00 0.00 55.06 56.64 1tot s HIS 15 Cb 0.06 -3.10 -0.00 0.00 1.11 0.00 0.00 32.58 30.65 1tot s HIS 15 CO -0.06 -0.42 0.10 0.14 -0.85 0.00 0.00 174.74 173.65 1tot s VAL 16 N -1.59 0.09 -0.16 -0.90 -7.23 -0.19 -4.83 120.40 105.59 1tot s VAL 16 Ca 0.54 -0.72 0.18 0.00 -1.81 0.00 0.00 61.98 60.18 1tot s VAL 16 Cb -0.22 -0.39 -0.08 0.00 0.56 0.00 0.00 36.38 36.25 1tot s VAL 16 CO 0.28 -0.39 0.94 1.05 -0.31 0.00 0.00 175.10 176.67 1tot h GLU 17 N 4.39 0.00 -4.86 4.82 9.09 -1.85 0.16 114.58 126.34 1tot h GLU 17 Ca -0.31 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.60 1tot h GLU 17 Cb 1.20 0.00 -0.32 0.00 -1.65 0.00 0.00 28.75 27.98 1tot h GLU 17 CO 0.41 0.21 -0.81 0.99 0.05 0.00 0.00 179.01 179.86 1tot s THR 18 N -3.06 1.10 0.18 -1.06 2.01 -1.26 -3.27 115.64 110.28 1tot s THR 18 Ca -0.02 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1tot s THR 18 Cb 0.09 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1tot s THR 18 CO 0.80 0.33 0.41 0.00 -0.69 0.00 0.00 174.62 175.47 1tot s ARG 19 N 0.23 1.28 -0.15 4.92 1.70 0.06 -4.53 118.95 122.46 1tot s ARG 19 Ca -0.06 -1.03 -0.06 0.00 -0.47 0.00 0.00 55.73 54.11 1tot s ARG 19 Cb -0.11 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1tot s ARG 19 CO 0.02 -0.51 0.07 -1.58 -1.08 0.00 0.00 175.30 172.22 1tot s TRP 20 N -3.93 3.32 -0.07 5.89 0.52 0.62 -1.35 118.94 123.95 1tot s TRP 20 Ca 0.14 0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.47 1tot s TRP 20 Cb 0.01 -1.98 0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1tot s TRP 20 CO -0.01 0.37 -0.02 -1.58 0.02 0.00 0.00 176.95 175.73 1tot s HIS 21 N -0.25 0.77 -0.08 -1.98 5.65 -0.28 -0.38 115.29 118.74 1tot s HIS 21 Ca 0.08 -0.24 -0.30 0.00 0.25 0.00 0.00 55.06 54.86 1tot s HIS 21 Cb -0.12 -0.80 -0.04 0.00 -1.18 0.00 0.00 32.58 30.44 1tot s HIS 21 CO 0.01 -0.31 1.40 0.00 -0.65 0.00 0.00 174.74 175.20 1tot n THR 23 N 5.15 2.16 -0.04 0.00 -2.24 -1.10 -3.95 114.28 114.26 1tot n THR 23 Ca 0.14 -1.41 -0.06 0.00 -2.27 0.00 0.00 64.05 60.45 1tot n THR 23 Cb 0.44 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1tot n THR 23 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1tot n VAL 24 N 0.54 1.39 -1.56 2.28 3.14 -1.26 -5.02 118.33 117.85 1tot n VAL 24 Ca 0.24 0.22 -0.29 0.00 -2.96 0.00 0.00 64.34 61.55 1tot n VAL 24 Cb 0.95 -2.07 0.14 0.00 -1.06 0.00 0.00 33.84 31.80 1tot n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tot s GLU 26 N -5.36 3.41 -1.30 0.00 2.02 -1.26 -4.38 118.70 111.82 1tot s GLU 26 Ca 0.65 -1.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.50 1tot s GLU 26 Cb -0.13 -5.31 0.10 0.00 0.10 0.00 0.00 34.13 28.88 1tot s GLU 26 CO 0.53 -2.45 0.50 -3.47 0.02 0.00 0.00 175.26 170.40 1tot n ASP 27 N 9.87 -3.14 -4.77 -0.19 2.03 -1.25 -4.91 116.55 114.17 1tot n ASP 27 Ca 0.35 -0.51 -0.38 0.00 0.52 0.00 0.00 54.79 54.77 1tot n ASP 27 Cb 0.50 -2.63 -0.02 0.00 -0.72 0.00 0.00 41.12 38.26 1tot n ASP 27 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1tot s TYR 28 N -2.93 2.99 0.18 -0.67 6.14 -1.25 -1.89 117.35 119.92 1tot s TYR 28 Ca 0.47 1.55 0.04 0.00 0.64 0.00 0.00 57.07 59.77 1tot s TYR 28 Cb -0.26 -3.38 -0.05 0.00 0.42 0.00 0.00 41.96 38.69 1tot s TYR 28 CO 0.58 -1.39 -0.07 -0.51 0.64 0.00 0.00 175.55 174.81 1tot s ASP 29 N -1.23 1.84 -0.14 4.32 1.01 -1.26 -0.63 116.67 120.59 1tot s ASP 29 Ca 0.60 -1.08 -0.09 0.00 0.71 0.00 0.00 52.55 52.68 1tot s ASP 29 Cb -0.30 -0.01 0.05 0.00 1.01 0.00 0.00 42.92 43.67 1tot s ASP 29 CO 0.37 -0.38 0.35 -0.76 0.21 0.00 0.00 175.17 174.95 1tot s LEU 30 N -3.22 0.33 1.08 1.23 1.43 0.49 -0.82 118.68 119.20 1tot s LEU 30 Ca 0.21 0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1tot s LEU 30 Cb 0.03 1.14 0.23 0.00 0.03 0.00 0.00 46.19 47.63 1tot s LEU 30 CO 0.04 -0.16 1.07 0.00 0.23 0.00 0.00 176.35 177.53 1tot h ILE 32 N -2.22 0.84 -0.29 0.00 1.08 -1.96 0.11 117.51 115.07 1tot h ILE 32 Ca -0.58 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1tot h ILE 32 Cb 1.34 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1tot h ILE 32 CO 0.55 0.07 0.10 -1.13 -0.69 0.00 0.00 178.15 177.05 1tot h ASN 33 N 0.40 0.42 -0.36 1.72 -1.24 -1.97 -0.90 115.58 113.65 1tot h ASN 33 Ca 0.25 -0.20 -0.10 0.00 0.71 0.00 0.00 56.30 56.97 1tot h ASN 33 Cb 0.26 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1tot h ASN 33 CO -0.24 0.51 -0.16 0.00 -1.29 0.00 0.00 177.43 176.24 1tot h TYR 35 N 0.53 0.23 0.00 0.00 3.20 -0.68 0.26 116.97 120.51 1tot h TYR 35 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1tot h TYR 35 Cb 0.70 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1tot h TYR 35 CO 0.06 0.05 0.00 -0.91 -1.64 0.00 0.00 178.16 175.71 1tot h ASN 36 N 0.29 0.00 0.00 -2.11 2.35 -0.86 -3.22 115.58 112.03 1tot h ASN 36 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1tot h ASN 36 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1tot h ASN 36 CO -0.28 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 175.85 1tot n THR 37 N -2.67 0.00 -0.12 2.81 -2.24 -0.54 -4.77 114.28 106.75 1tot n THR 37 Ca -0.01 -0.27 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 1tot n THR 37 Cb 0.12 1.46 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 1tot n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tot n LYS 38 N -0.00 2.74 -3.53 -0.78 4.76 0.79 -5.03 118.16 117.10 1tot n LYS 38 Ca 0.00 -1.52 -0.19 0.00 -2.87 0.00 0.00 58.31 53.73 1tot n LYS 38 Cb 0.11 -1.01 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 1tot n LYS 38 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1tot n SER 39 N -0.53 0.39 -4.60 4.39 7.64 -1.22 -4.84 113.62 114.85 1tot n SER 39 Ca 0.01 -0.75 -0.43 0.00 1.01 0.00 0.00 58.87 58.71 1tot n SER 39 Cb 0.29 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 1tot n SER 39 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1tot s HIS 40 N -3.66 1.76 -2.64 1.43 2.46 -1.26 -4.84 115.29 108.54 1tot s HIS 40 Ca 0.05 0.61 0.25 0.00 0.47 0.00 0.00 55.06 56.44 1tot s HIS 40 Cb -0.03 -4.11 0.64 0.00 -0.13 0.00 0.00 32.58 28.94 1tot s HIS 40 CO 0.59 -3.07 1.51 2.41 -2.47 0.00 0.00 174.74 173.71 1tot n THR 41 N 7.44 0.09 -2.14 0.89 -1.04 -1.26 -4.99 114.28 113.27 1tot n THR 41 Ca 0.23 -0.41 -0.27 0.00 -2.04 0.00 0.00 64.05 61.57 1tot n THR 41 Cb 0.46 0.88 0.09 0.00 -1.82 0.00 0.00 70.33 69.94 1tot n THR 41 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tot s HIS 42 N -1.91 2.72 -0.93 -1.42 3.76 -1.26 -4.96 115.29 111.29 1tot s HIS 42 Ca 0.34 0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 55.45 1tot s HIS 42 Cb 0.20 -3.33 0.01 0.00 1.11 0.00 0.00 32.58 30.57 1tot s HIS 42 CO 0.31 -1.62 1.63 0.21 -0.85 0.00 0.00 174.74 174.42 1tot s LYS 43 N -5.37 3.14 0.01 1.40 2.20 -1.26 -4.94 119.74 114.93 1tot s LYS 43 Ca 0.62 -0.65 -0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1tot s LYS 43 Cb -0.10 -5.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.14 1tot s LYS 43 CO 0.46 -2.63 0.02 -1.33 -0.36 0.00 0.00 175.35 171.51 1tot n MET 44 N 8.94 0.24 -4.34 4.03 2.81 -1.26 -2.71 117.12 124.83 1tot n MET 44 Ca 0.32 -0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.97 1tot n MET 44 Cb 0.49 -0.02 -0.08 0.00 -0.71 0.00 0.00 33.22 32.90 1tot n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1tot s VAL 45 N -0.54 0.20 -0.04 2.03 -7.23 0.50 -4.75 120.40 110.56 1tot s VAL 45 Ca 0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1tot s VAL 45 Cb -0.00 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1tot s VAL 45 CO 0.01 0.00 0.08 -0.75 -0.31 0.00 0.00 175.10 174.13 1tot s LYS 46 N -3.62 0.05 -0.14 4.82 2.36 -1.26 -1.13 119.74 120.82 1tot s LYS 46 Ca 0.35 0.21 -0.00 0.00 -2.55 0.00 0.00 55.97 53.99 1tot s LYS 46 Cb 0.03 -0.11 0.03 0.00 -1.05 0.00 0.00 37.83 36.72 1tot s LYS 46 CO 0.22 -0.11 -0.09 -1.58 1.55 0.00 0.00 175.35 175.34 1tot s TRP 47 N 0.71 1.78 -0.06 4.03 0.52 -0.45 -5.01 118.94 120.46 1tot s TRP 47 Ca -0.06 -0.99 0.01 0.00 0.02 0.00 0.00 56.10 55.08 1tot s TRP 47 Cb -0.08 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.88 1tot s TRP 47 CO -0.03 -0.59 -0.06 0.20 0.02 0.00 0.00 176.95 176.49 1tot s GLY 48 N 1.61 0.59 -0.00 0.98 0.00 -1.26 -0.76 107.32 108.47 1tot s GLY 48 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1tot s GLY 48 CO -0.09 0.51 0.70 1.04 0.00 0.00 0.00 173.10 175.27 1tot n LEU 49 N 4.27 0.74 0.00 0.66 4.77 -1.20 -4.96 117.00 121.27 1tot n LEU 49 Ca -0.20 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1tot n LEU 49 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1tot n LEU 49 CO 0.21 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1tot n GLY 50 N -0.20 0.18 0.00 -0.72 0.00 -1.26 -4.98 105.19 98.21 1tot n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tot n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tot n LEU 51 N 0.00 0.00 0.00 0.99 7.94 -1.26 -5.05 117.00 119.62 1tot n LEU 51 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1tot n LEU 51 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1tot n LEU 51 CO 0.00 0.01 0.00 -0.67 -1.11 0.00 0.00 177.39 175.62