#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 0.93 0.00 1.61 -2.07 -1.26 -3.01 119.66 115.86 1tot s GLN 2 Ca 0.00 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 1tot s GLN 2 Cb 0.00 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.27 1tot s GLN 2 CO 0.00 -0.31 0.00 -3.47 -1.32 0.00 0.00 175.29 170.19 1tot n ASP 3 N -0.10 0.00 -0.04 12.60 2.03 0.55 -4.89 116.55 126.69 1tot n ASP 3 Ca -0.13 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.05 1tot n ASP 3 Cb 0.63 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.94 1tot n ASP 3 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1tot h ARG 4 N 0.00 0.25 0.00 -0.67 -0.00 -2.02 -3.40 114.38 108.53 1tot h ARG 4 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 1tot h ARG 4 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 29.97 29.98 1tot h ARG 4 CO 0.00 0.69 -0.25 1.97 0.00 0.00 0.00 179.97 182.37 1tot n PHE 5 N -4.63 0.00 -4.33 3.04 1.16 -1.26 -5.09 117.46 106.35 1tot n PHE 5 Ca -0.07 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.30 1tot n PHE 5 Cb 0.34 0.03 -0.11 0.00 -1.61 0.00 0.00 39.48 38.14 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 1.80 0.22 1.97 1.01 -1.26 -4.62 120.40 119.51 1tot s VAL 6 Ca 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 61.98 59.96 1tot s VAL 6 Cb 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1tot s VAL 6 CO 0.00 -0.37 0.38 -1.22 0.00 0.00 0.00 175.10 173.89 1tot n TYR 7 N 0.16 -1.43 -4.53 5.22 4.01 0.18 -0.33 117.16 120.43 1tot n TYR 7 Ca -0.12 -1.25 -0.25 0.00 -0.16 0.00 0.00 57.90 56.12 1tot n TYR 7 Cb 0.58 0.44 -0.10 0.00 -0.31 0.00 0.00 39.34 39.94 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 -2.57 1.47 -0.30 -0.72 -4.23 -1.16 -0.87 115.64 107.25 1tot s THR 8 Ca 0.13 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1tot s THR 8 Cb -0.02 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.06 1tot s THR 8 CO 0.10 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.18 1tot n ASN 10 N 4.61 0.00 -0.01 0.00 5.15 0.90 0.65 115.26 126.56 1tot n ASN 10 Ca -0.12 -0.26 -0.01 0.00 -0.60 0.00 0.00 54.58 53.58 1tot n ASN 10 Cb 0.43 -0.05 -0.12 0.00 -0.53 0.00 0.00 39.78 39.51 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 -1.05 0.65 0.01 1.20 -0.58 -1.25 -4.28 120.64 115.34 1tot n GLU 11 Ca 0.08 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 57.01 1tot n GLU 11 Cb 0.05 -1.68 -0.13 0.00 -0.57 0.00 0.00 31.44 29.11 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 -2.31 -3.58 -4.26 0.00 4.01 0.21 -4.95 118.16 107.28 1tot n LYS 13 Ca -0.03 0.41 -0.14 0.00 -0.51 0.00 0.00 58.31 58.04 1tot n LYS 13 Cb 0.56 -5.17 -0.10 0.00 -0.51 0.00 0.00 35.03 29.81 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 -3.29 1.28 0.42 2.13 2.46 -1.24 -4.97 115.29 112.09 1tot s HIS 14 Ca 0.73 -0.85 -0.23 0.00 0.47 0.00 0.00 55.06 55.18 1tot s HIS 14 Cb -0.39 -0.70 -0.09 0.00 -0.13 0.00 0.00 32.58 31.27 1tot s HIS 14 CO 0.91 -0.01 1.02 -1.01 -2.47 0.00 0.00 174.74 173.18 1tot s HIS 15 N -3.43 3.26 0.10 3.88 3.76 -1.26 -1.18 115.29 120.43 1tot s HIS 15 Ca 0.20 1.64 -0.04 0.00 -0.15 0.00 0.00 55.06 56.71 1tot s HIS 15 Cb 0.04 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1tot s HIS 15 CO 0.02 -0.49 0.09 0.14 -0.85 0.00 0.00 174.74 173.65 1tot s VAL 16 N -1.82 0.14 -0.11 -0.90 -7.23 -0.05 -4.85 120.40 105.58 1tot s VAL 16 Ca 0.60 -1.64 0.19 0.00 -1.81 0.00 0.00 61.98 59.32 1tot s VAL 16 Cb -0.18 -1.70 -0.29 0.00 0.56 0.00 0.00 36.38 34.77 1tot s VAL 16 CO 0.23 -0.64 0.46 -1.84 -0.31 0.00 0.00 175.10 172.99 1tot n GLU 17 N -0.04 0.61 -4.14 4.82 -0.00 -1.26 -0.64 120.64 119.98 1tot n GLU 17 Ca -0.10 -0.16 -0.18 0.00 -0.00 0.00 0.00 57.16 56.72 1tot n GLU 17 Cb 0.62 -1.44 -0.16 0.00 -0.00 0.00 0.00 31.44 30.46 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 -3.27 0.44 0.19 3.84 2.01 -1.26 -3.42 115.64 114.17 1tot s THR 18 Ca -0.06 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1tot s THR 18 Cb 0.12 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1tot s THR 18 CO 0.79 0.17 0.29 0.00 -0.69 0.00 0.00 174.62 175.18 1tot s ARG 19 N 0.51 1.25 -0.03 4.92 1.70 -0.03 -4.56 118.95 122.70 1tot s ARG 19 Ca -0.06 -1.30 -0.02 0.00 -0.47 0.00 0.00 55.73 53.88 1tot s ARG 19 Cb -0.10 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1tot s ARG 19 CO -0.00 -0.46 0.09 -1.58 -1.08 0.00 0.00 175.30 172.26 1tot s TRP 20 N -4.02 3.34 -0.05 5.89 0.52 0.41 -1.27 118.94 123.76 1tot s TRP 20 Ca 0.23 0.27 -0.02 0.00 0.02 0.00 0.00 56.10 56.60 1tot s TRP 20 Cb 0.03 -1.78 0.03 0.00 -1.15 0.00 0.00 33.47 30.60 1tot s TRP 20 CO 0.05 0.58 0.08 -1.58 0.02 0.00 0.00 176.95 176.09 1tot s HIS 21 N -1.14 0.00 -0.13 -1.98 5.65 -0.27 -0.55 115.29 116.88 1tot s HIS 21 Ca 0.21 0.31 -0.29 0.00 0.25 0.00 0.00 55.06 55.54 1tot s HIS 21 Cb -0.12 -0.39 -0.04 0.00 -1.18 0.00 0.00 32.58 30.85 1tot s HIS 21 CO 0.11 -0.19 1.53 0.00 -0.65 0.00 0.00 174.74 175.54 1tot n THR 23 N 5.69 0.10 -0.06 0.00 -2.24 -0.32 -3.98 114.28 113.48 1tot n THR 23 Ca 0.17 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1tot n THR 23 Cb 0.44 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.33 1.21 -1.58 2.28 3.14 -1.24 -4.99 118.33 117.47 1tot n VAL 24 Ca 0.18 0.26 -0.29 0.00 -2.96 0.00 0.00 64.34 61.52 1tot n VAL 24 Cb 0.36 -2.26 0.16 0.00 -1.06 0.00 0.00 33.84 31.04 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 -5.44 3.62 -1.74 0.00 2.02 -1.26 -4.36 118.70 111.53 1tot s GLU 26 Ca 0.67 -1.19 -0.20 0.00 0.02 0.00 0.00 54.97 54.27 1tot s GLU 26 Cb -0.12 -5.38 0.18 0.00 0.10 0.00 0.00 34.13 28.91 1tot s GLU 26 CO 0.53 -2.22 0.74 -3.47 0.02 0.00 0.00 175.26 170.86 1tot n ASP 27 N 8.85 -2.92 -4.76 -0.19 2.03 -1.26 -4.89 116.55 113.41 1tot n ASP 27 Ca 0.34 -1.07 -0.40 0.00 0.52 0.00 0.00 54.79 54.19 1tot n ASP 27 Cb 0.51 -2.49 -0.04 0.00 -0.72 0.00 0.00 41.12 38.38 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 -3.29 3.45 0.19 -0.67 6.14 -1.26 -1.37 117.35 120.55 1tot s TYR 28 Ca 0.75 1.65 0.07 0.00 0.64 0.00 0.00 57.07 60.18 1tot s TYR 28 Cb -0.42 -3.32 -0.05 0.00 0.42 0.00 0.00 41.96 38.59 1tot s TYR 28 CO 0.95 -0.76 -0.13 -0.51 0.64 0.00 0.00 175.55 175.74 1tot s ASP 29 N -0.91 2.38 -0.12 4.32 1.01 -1.26 -0.46 116.67 121.63 1tot s ASP 29 Ca 0.47 -1.03 -0.08 0.00 0.71 0.00 0.00 52.55 52.62 1tot s ASP 29 Cb -0.32 -0.10 0.04 0.00 1.01 0.00 0.00 42.92 43.55 1tot s ASP 29 CO 0.41 -0.23 0.29 -0.76 0.21 0.00 0.00 175.17 175.09 1tot s LEU 30 N -3.29 0.54 1.00 1.23 1.43 0.29 -0.07 118.68 119.81 1tot s LEU 30 Ca 0.22 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.80 1tot s LEU 30 Cb 0.00 0.94 0.19 0.00 0.03 0.00 0.00 46.19 47.35 1tot s LEU 30 CO 0.06 -0.14 1.08 0.00 0.23 0.00 0.00 176.35 177.57 1tot h ILE 32 N -1.97 0.69 -0.44 0.00 1.08 -1.96 0.35 117.51 115.26 1tot h ILE 32 Ca -0.53 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.84 1tot h ILE 32 Cb 1.31 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1tot h ILE 32 CO 0.52 0.03 0.14 -1.13 -0.69 0.00 0.00 178.15 177.03 1tot h ASN 33 N 0.19 0.65 -0.36 1.72 -1.24 -1.97 -0.25 115.58 114.32 1tot h ASN 33 Ca 0.25 -0.21 -0.08 0.00 0.71 0.00 0.00 56.30 56.97 1tot h ASN 33 Cb 0.35 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1tot h ASN 33 CO -0.35 0.68 -0.07 0.00 -1.29 0.00 0.00 177.43 176.40 1tot h TYR 35 N 0.48 0.86 0.00 0.00 3.20 -0.76 0.31 116.97 121.06 1tot h TYR 35 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1tot h TYR 35 Cb 0.58 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1tot h TYR 35 CO 0.05 0.50 0.00 0.09 -1.64 0.00 0.00 178.16 177.16 1tot n ASN 36 N -4.64 0.20 0.00 -2.11 3.02 -0.12 -3.72 115.26 107.89 1tot n ASN 36 Ca 0.08 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1tot n ASN 36 Cb 0.07 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 -1.74 0.00 0.28 3.41 -2.24 -0.72 -4.81 114.28 108.45 1tot n THR 37 Ca 0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1tot n THR 37 Cb 0.10 -0.79 0.15 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.55 0.06 -4.29 -0.78 4.76 1.00 -4.86 118.16 111.50 1tot n LYS 38 Ca 0.00 0.27 -0.36 0.00 -2.87 0.00 0.00 58.31 55.36 1tot n LYS 38 Cb 0.23 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.35 -1.82 -3.40 4.39 7.64 -1.24 -4.81 113.62 113.02 1tot n SER 39 Ca 0.03 -1.12 -0.36 0.00 1.01 0.00 0.00 58.87 58.43 1tot n SER 39 Cb 0.06 -2.29 -0.02 0.00 -1.01 0.00 0.00 64.21 60.94 1tot n SER 39 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1tot n HIS 40 N -4.33 2.36 0.15 1.43 -0.00 -1.26 -4.81 115.22 108.76 1tot n HIS 40 Ca -0.03 -2.66 0.00 0.00 0.46 0.00 0.00 57.72 55.49 1tot n HIS 40 Cb 0.54 -2.23 0.00 0.00 -0.12 0.00 0.00 29.99 28.18 1tot n HIS 40 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1tot n THR 41 N 4.32 0.06 -1.82 3.57 -1.04 -1.26 -4.87 114.28 113.24 1tot n THR 41 Ca 0.62 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.33 1tot n THR 41 Cb 0.26 -0.27 0.18 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.29 1.66 -0.38 -1.42 3.76 -1.26 -4.96 115.29 112.40 1tot s HIS 42 Ca 0.00 0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 55.02 1tot s HIS 42 Cb 0.00 -3.96 0.01 0.00 1.11 0.00 0.00 32.58 29.74 1tot s HIS 42 CO 0.00 -2.68 1.29 0.21 -0.85 0.00 0.00 174.74 172.71 1tot s LYS 43 N -5.78 3.77 0.42 1.40 2.36 -1.26 -4.96 119.74 115.68 1tot s LYS 43 Ca 0.72 0.99 0.03 0.00 -2.55 0.00 0.00 55.97 55.16 1tot s LYS 43 Cb -0.06 -3.92 0.03 0.00 -1.05 0.00 0.00 37.83 32.83 1tot s LYS 43 CO 0.53 -1.31 0.26 -1.33 1.55 0.00 0.00 175.35 175.05 1tot n MET 44 N 7.64 0.90 -4.36 4.03 2.81 -1.26 -1.17 117.12 125.70 1tot n MET 44 Ca 0.15 -2.69 -0.19 0.00 -1.81 0.00 0.00 57.70 53.16 1tot n MET 44 Cb 0.48 0.37 -0.09 0.00 -0.71 0.00 0.00 33.22 33.26 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 -2.16 0.51 -0.05 2.03 -7.23 0.39 -4.80 120.40 109.10 1tot s VAL 45 Ca 0.20 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 1tot s VAL 45 Cb -0.02 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1tot s VAL 45 CO 0.13 0.00 0.10 -0.75 -0.31 0.00 0.00 175.10 174.26 1tot s LYS 46 N -3.87 0.04 -0.24 4.82 2.36 -1.26 -1.12 119.74 120.48 1tot s LYS 46 Ca 0.35 0.28 0.01 0.00 -2.55 0.00 0.00 55.97 54.05 1tot s LYS 46 Cb 0.06 -0.18 0.06 0.00 -1.05 0.00 0.00 37.83 36.72 1tot s LYS 46 CO 0.16 -0.15 -0.04 -1.58 1.55 0.00 0.00 175.35 175.28 1tot s TRP 47 N 1.02 2.33 -0.03 4.03 0.52 -0.40 -5.02 118.94 121.40 1tot s TRP 47 Ca -0.08 -1.73 0.04 0.00 0.02 0.00 0.00 56.10 54.35 1tot s TRP 47 Cb -0.11 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1tot s TRP 47 CO -0.04 -0.77 -0.17 0.20 0.02 0.00 0.00 176.95 176.19 1tot s GLY 48 N 1.42 0.87 0.00 0.98 0.00 -1.26 -0.85 107.32 108.47 1tot s GLY 48 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1tot s GLY 48 CO -0.07 -0.40 0.29 1.04 0.00 0.00 0.00 173.10 173.97 1tot n LEU 49 N 3.04 0.00 0.00 0.66 4.77 -1.22 -5.00 117.00 119.25 1tot n LEU 49 Ca -0.17 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1tot n LEU 49 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1tot n LEU 49 CO 0.25 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1tot n GLY 50 N 0.00 0.00 0.00 -0.72 0.00 -1.26 -4.98 105.19 98.23 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 1.04 0.00 0.00 0.00 173.32 174.36 1tot n LEU 51 N -0.10 0.00 0.00 0.99 4.77 -1.26 -5.06 117.00 116.34 1tot n LEU 51 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1tot n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1tot n LEU 51 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39