#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 1.15 0.16 1.61 0.74 -1.26 -3.65 119.66 118.41 1tot s GLN 2 Ca 0.00 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.85 1tot s GLN 2 Cb 0.00 0.52 -0.03 0.00 1.10 0.00 0.00 33.01 34.60 1tot s GLN 2 CO 0.00 -0.47 0.15 0.34 -0.55 0.00 0.00 175.29 174.76 1tot s ASP 3 N -2.63 0.19 0.63 6.67 2.15 0.55 -4.90 116.67 119.32 1tot s ASP 3 Ca 0.01 -1.15 0.33 0.00 0.43 0.00 0.00 52.55 52.17 1tot s ASP 3 Cb 0.00 0.36 1.84 0.00 -0.30 0.00 0.00 42.92 44.82 1tot s ASP 3 CO -0.11 -0.81 2.12 0.08 -0.17 0.00 0.00 175.17 176.28 1tot h ARG 4 N 2.71 0.00 0.00 4.34 -0.00 -2.04 -3.24 114.38 116.15 1tot h ARG 4 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1tot h ARG 4 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1tot h ARG 4 CO 0.54 0.00 -0.03 1.97 -0.00 0.00 0.00 179.97 182.45 1tot n PHE 5 N -3.41 0.00 -4.31 4.08 1.16 -1.26 -5.11 117.46 108.61 1tot n PHE 5 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.39 1tot n PHE 5 Cb 0.28 0.05 -0.10 0.00 -1.61 0.00 0.00 39.48 38.10 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 1.61 0.04 1.97 1.01 -1.22 -4.65 120.40 119.15 1tot s VAL 6 Ca 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 59.93 1tot s VAL 6 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1tot s VAL 6 CO 0.00 -0.53 0.07 -1.22 0.00 0.00 0.00 175.10 173.42 1tot n TYR 7 N -0.06 -0.91 -4.39 5.22 4.01 0.55 -0.33 117.16 121.25 1tot n TYR 7 Ca -0.11 -0.22 -0.20 0.00 -0.16 0.00 0.00 57.90 57.21 1tot n TYR 7 Cb 0.59 0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.61 -0.29 -0.72 -4.23 -1.24 -0.82 115.64 106.22 1tot s THR 8 Ca 0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1tot s THR 8 Cb -0.00 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.34 1tot s THR 8 CO 0.02 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.06 1tot n ASN 10 N 4.40 0.00 -0.01 0.00 5.15 0.61 0.71 115.26 126.12 1tot n ASN 10 Ca -0.07 -0.23 -0.02 0.00 -0.60 0.00 0.00 54.58 53.66 1tot n ASN 10 Cb 0.42 -0.03 -0.12 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 -1.03 0.64 -0.01 1.20 -0.58 -1.25 -4.27 120.64 115.34 1tot n GLU 11 Ca 0.06 0.12 0.07 0.00 -0.42 0.00 0.00 57.16 57.00 1tot n GLU 11 Cb 0.03 -1.70 -0.15 0.00 -0.57 0.00 0.00 31.44 29.05 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 -2.42 -3.71 -4.34 0.00 4.01 0.22 -4.97 118.16 106.94 1tot n LYS 13 Ca -0.09 0.43 -0.18 0.00 -0.51 0.00 0.00 58.31 57.97 1tot n LYS 13 Cb 0.69 -5.00 -0.10 0.00 -0.51 0.00 0.00 35.03 30.11 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 -3.52 1.61 0.54 2.13 2.46 -1.23 -4.98 115.29 112.31 1tot s HIS 14 Ca 0.47 -0.96 -0.19 0.00 0.47 0.00 0.00 55.06 54.85 1tot s HIS 14 Cb -0.25 -0.96 -0.06 0.00 -0.13 0.00 0.00 32.58 31.18 1tot s HIS 14 CO 0.89 -0.07 1.09 -1.58 -2.47 0.00 0.00 174.74 172.61 1tot s HIS 15 N -3.45 2.79 0.06 3.88 5.65 -1.26 -1.14 115.29 121.82 1tot s HIS 15 Ca 0.31 1.55 -0.06 0.00 0.25 0.00 0.00 55.06 57.11 1tot s HIS 15 Cb 0.06 -3.18 -0.01 0.00 -1.18 0.00 0.00 32.58 28.27 1tot s HIS 15 CO 0.10 -1.33 0.10 0.14 -0.65 0.00 0.00 174.74 173.11 1tot s VAL 16 N -1.96 0.15 -0.53 0.89 -7.23 0.00 -4.76 120.40 106.97 1tot s VAL 16 Ca 0.70 -1.27 0.22 0.00 -1.81 0.00 0.00 61.98 59.82 1tot s VAL 16 Cb -0.21 -1.18 -0.20 0.00 0.56 0.00 0.00 36.38 35.35 1tot s VAL 16 CO 0.27 -0.70 0.84 -1.84 -0.31 0.00 0.00 175.10 173.36 1tot n GLU 17 N 0.34 0.34 -3.73 4.82 -0.00 -1.26 -0.33 120.64 120.81 1tot n GLU 17 Ca -0.17 -0.06 -0.16 0.00 -0.00 0.00 0.00 57.16 56.77 1tot n GLU 17 Cb 0.60 -1.56 -0.16 0.00 -0.00 0.00 0.00 31.44 30.32 1tot n GLU 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1tot s THR 18 N -3.25 -0.09 0.18 3.84 2.01 -1.26 -2.70 115.64 114.38 1tot s THR 18 Ca 0.01 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1tot s THR 18 Cb 0.14 -0.13 -0.05 0.00 0.01 0.00 0.00 72.50 72.48 1tot s THR 18 CO 0.85 0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.90 1tot s ARG 19 N 1.49 1.16 -0.12 4.92 1.70 0.16 -4.46 118.95 123.79 1tot s ARG 19 Ca -0.04 -1.56 -0.04 0.00 -0.47 0.00 0.00 55.73 53.61 1tot s ARG 19 Cb -0.12 -0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 33.89 1tot s ARG 19 CO -0.04 -0.13 0.03 -1.58 -1.08 0.00 0.00 175.30 172.51 1tot s TRP 20 N -3.62 3.23 -0.07 5.89 0.52 0.36 -1.52 118.94 123.74 1tot s TRP 20 Ca 0.25 0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.54 1tot s TRP 20 Cb 0.06 -1.89 0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1tot s TRP 20 CO 0.05 0.39 -0.02 -1.58 0.02 0.00 0.00 176.95 175.81 1tot s HIS 21 N -0.51 0.79 -0.08 -1.98 5.65 -0.07 -0.55 115.29 118.53 1tot s HIS 21 Ca 0.10 -0.25 -0.30 0.00 0.25 0.00 0.00 55.06 54.86 1tot s HIS 21 Cb -0.12 -0.82 -0.04 0.00 -1.18 0.00 0.00 32.58 30.42 1tot s HIS 21 CO 0.02 -0.32 1.40 0.00 -0.65 0.00 0.00 174.74 175.20 1tot n THR 23 N 5.13 1.50 -0.04 0.00 -2.24 -0.19 -3.99 114.28 114.44 1tot n THR 23 Ca 0.14 -1.12 -0.04 0.00 -2.27 0.00 0.00 64.05 60.77 1tot n THR 23 Cb 0.44 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.38 0.69 -1.25 2.28 3.14 -1.23 -5.00 118.33 118.34 1tot n VAL 24 Ca 0.26 0.32 -0.30 0.00 -2.96 0.00 0.00 64.34 61.66 1tot n VAL 24 Cb 0.79 -1.86 0.14 0.00 -1.06 0.00 0.00 33.84 31.85 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 -4.98 3.01 -0.87 0.00 2.02 -1.26 -4.22 118.70 112.40 1tot s GLU 26 Ca 0.63 -0.96 -0.01 0.00 0.02 0.00 0.00 54.97 54.65 1tot s GLU 26 Cb -0.17 -5.25 0.01 0.00 0.10 0.00 0.00 34.13 28.81 1tot s GLU 26 CO 0.57 -3.07 0.03 -3.47 0.02 0.00 0.00 175.26 169.34 1tot n ASP 27 N 11.98 -3.33 -4.75 -0.19 2.03 -1.26 -4.90 116.55 116.13 1tot n ASP 27 Ca 0.41 0.21 -0.38 0.00 0.52 0.00 0.00 54.79 55.55 1tot n ASP 27 Cb 0.48 -2.85 0.03 0.00 -0.72 0.00 0.00 41.12 38.05 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 -2.52 2.42 0.15 -0.67 6.14 -1.26 -1.88 117.35 119.73 1tot s TYR 28 Ca 0.03 1.43 0.02 0.00 0.64 0.00 0.00 57.07 59.19 1tot s TYR 28 Cb -0.01 -3.67 -0.04 0.00 0.42 0.00 0.00 41.96 38.65 1tot s TYR 28 CO 0.03 -2.52 -0.03 -0.51 0.64 0.00 0.00 175.55 173.16 1tot s ASP 29 N -1.12 1.31 -0.10 4.32 1.11 -1.26 -0.77 116.67 120.17 1tot s ASP 29 Ca 0.71 -1.10 -0.07 0.00 0.18 0.00 0.00 52.55 52.26 1tot s ASP 29 Cb -0.37 0.09 0.03 0.00 1.07 0.00 0.00 42.92 43.74 1tot s ASP 29 CO 0.43 -0.50 0.25 -0.76 1.18 0.00 0.00 175.17 175.77 1tot s LEU 30 N -3.14 0.81 0.99 1.23 1.43 0.28 -0.28 118.68 120.00 1tot s LEU 30 Ca 0.20 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 1tot s LEU 30 Cb 0.05 0.82 0.18 0.00 0.03 0.00 0.00 46.19 47.27 1tot s LEU 30 CO 0.01 -0.12 1.08 0.00 0.23 0.00 0.00 176.35 177.56 1tot h ILE 32 N -1.90 0.72 -0.48 0.00 1.08 -1.94 0.89 117.51 115.89 1tot h ILE 32 Ca -0.54 -0.06 -0.05 0.00 -0.39 0.00 0.00 64.86 63.82 1tot h ILE 32 Cb 1.31 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 1tot h ILE 32 CO 0.55 0.03 0.11 -1.13 -0.69 0.00 0.00 178.15 177.03 1tot h ASN 33 N 0.19 0.73 -0.22 1.72 -1.24 -1.97 -0.78 115.58 114.01 1tot h ASN 33 Ca 0.22 -0.24 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1tot h ASN 33 Cb 0.30 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1tot h ASN 33 CO -0.32 0.78 -0.04 0.00 -1.29 0.00 0.00 177.43 176.56 1tot h TYR 35 N 0.16 0.71 0.00 0.00 3.20 -0.70 0.38 116.97 120.71 1tot h TYR 35 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1tot h TYR 35 Cb 0.48 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1tot h TYR 35 CO 0.05 0.28 0.00 0.09 -1.64 0.00 0.00 178.16 176.94 1tot n ASN 36 N -4.81 0.50 0.00 -2.11 3.02 -0.31 -3.43 115.26 108.12 1tot n ASN 36 Ca 0.11 0.69 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 1tot n ASN 36 Cb 0.26 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1tot n ASN 36 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1tot n THR 37 N -2.12 0.00 0.43 3.41 -2.24 -0.49 -4.77 114.28 108.50 1tot n THR 37 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1tot n THR 37 Cb 0.10 -0.64 0.22 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.39 0.15 -4.26 -0.78 4.76 0.12 -4.88 118.16 110.88 1tot n LYS 38 Ca 0.00 0.17 -0.34 0.00 -2.87 0.00 0.00 58.31 55.27 1tot n LYS 38 Cb 0.23 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.23 -1.17 -4.61 4.39 7.64 -1.22 -4.86 113.62 112.56 1tot n SER 39 Ca 0.05 -1.13 -0.43 0.00 1.01 0.00 0.00 58.87 58.36 1tot n SER 39 Cb 0.06 -2.27 -0.03 0.00 -1.01 0.00 0.00 64.21 60.96 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 -3.73 1.52 -2.11 1.43 2.46 -1.26 -4.85 115.29 108.75 1tot s HIS 40 Ca 0.40 0.43 0.23 0.00 0.47 0.00 0.00 55.06 56.58 1tot s HIS 40 Cb -0.22 -4.03 0.61 0.00 -0.13 0.00 0.00 32.58 28.80 1tot s HIS 40 CO 0.96 -3.78 1.52 2.41 -2.47 0.00 0.00 174.74 173.38 1tot n THR 41 N 7.12 0.88 -2.33 0.89 -1.04 -1.26 -5.00 114.28 113.55 1tot n THR 41 Ca 0.25 -0.94 -0.25 0.00 -2.04 0.00 0.00 64.05 61.07 1tot n THR 41 Cb 0.45 0.61 0.09 0.00 -1.82 0.00 0.00 70.33 69.66 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 -1.12 2.45 -0.55 -1.42 3.76 -1.26 -4.97 115.29 112.19 1tot s HIS 42 Ca 0.47 0.19 -0.27 0.00 -0.15 0.00 0.00 55.06 55.31 1tot s HIS 42 Cb 0.25 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 1tot s HIS 42 CO 0.33 -1.53 1.98 0.21 -0.85 0.00 0.00 174.74 174.88 1tot s LYS 43 N -5.22 2.59 0.56 1.40 2.36 -1.26 -4.94 119.74 115.24 1tot s LYS 43 Ca 0.63 0.88 0.05 0.00 -2.55 0.00 0.00 55.97 54.98 1tot s LYS 43 Cb -0.09 -4.41 0.05 0.00 -1.05 0.00 0.00 37.83 32.33 1tot s LYS 43 CO 0.44 -2.76 0.42 -1.33 1.55 0.00 0.00 175.35 173.68 1tot n MET 44 N 9.07 0.66 -4.36 4.03 2.81 -1.26 -1.03 117.12 127.04 1tot n MET 44 Ca 0.24 -3.53 -0.22 0.00 -1.81 0.00 0.00 57.70 52.38 1tot n MET 44 Cb 0.52 0.38 -0.08 0.00 -0.71 0.00 0.00 33.22 33.33 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 -2.81 0.15 -0.13 2.03 -7.23 0.57 -4.80 120.40 108.17 1tot s VAL 45 Ca 0.32 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1tot s VAL 45 Cb -0.03 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.52 1tot s VAL 45 CO 0.20 0.00 0.34 -0.75 -0.31 0.00 0.00 175.10 174.58 1tot s LYS 46 N -3.48 0.36 -0.05 4.82 2.36 -1.26 -0.90 119.74 121.59 1tot s LYS 46 Ca 0.35 0.54 0.02 0.00 -2.55 0.00 0.00 55.97 54.33 1tot s LYS 46 Cb 0.02 0.10 0.01 0.00 -1.05 0.00 0.00 37.83 36.91 1tot s LYS 46 CO 0.25 -0.09 -0.11 -1.58 1.55 0.00 0.00 175.35 175.37 1tot s TRP 47 N 0.58 1.25 -0.04 4.03 0.52 -0.58 -4.99 118.94 119.71 1tot s TRP 47 Ca -0.03 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.58 1tot s TRP 47 Cb -0.05 -0.92 0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1tot s TRP 47 CO -0.03 -0.21 0.22 0.20 0.02 0.00 0.00 176.95 177.14 1tot s GLY 48 N 0.55 -0.10 0.00 0.98 0.00 -1.26 -0.66 107.32 106.83 1tot s GLY 48 Ca -0.11 0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1tot s GLY 48 CO 0.02 0.17 0.05 -0.10 0.00 0.00 0.00 173.10 173.25 1tot n LEU 49 N 2.02 0.00 0.00 0.66 -0.00 -1.10 -4.97 117.00 113.61 1tot n LEU 49 Ca -0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1tot n LEU 49 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1tot n LEU 49 CO 0.20 0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 1tot n GLY 50 N 0.00 -0.27 2.39 -3.96 0.00 -1.26 -5.01 105.19 97.08 1tot n GLY 50 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1tot n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tot n LEU 51 N -2.09 1.71 0.00 0.99 4.77 -1.26 -5.11 117.00 116.02 1tot n LEU 51 Ca 0.00 -4.98 0.07 0.00 -0.03 0.00 0.00 56.01 51.07 1tot n LEU 51 Cb 0.00 -0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.47 1tot n LEU 51 CO 0.00 1.99 0.60 -0.67 -1.33 0.00 0.00 177.39 177.99