#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 0.78 0.34 1.61 1.03 -1.26 -3.11 119.66 119.06 1tot s GLN 2 Ca 0.00 -0.93 -0.02 0.00 0.04 0.00 0.00 55.36 54.46 1tot s GLN 2 Cb 0.00 0.31 0.01 0.00 0.03 0.00 0.00 33.01 33.36 1tot s GLN 2 CO 0.00 -0.23 0.47 -3.47 -2.54 0.00 0.00 175.29 169.52 1tot n ASP 3 N 0.11 -1.31 0.15 12.60 2.03 0.43 -4.91 116.55 125.65 1tot n ASP 3 Ca -0.16 -2.83 0.02 0.00 0.52 0.00 0.00 54.79 52.34 1tot n ASP 3 Cb 0.62 2.45 0.36 0.00 -0.72 0.00 0.00 41.12 43.82 1tot n ASP 3 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1tot h ARG 4 N 0.00 0.14 0.00 -0.67 -0.00 -2.02 -3.36 114.38 108.47 1tot h ARG 4 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 1tot h ARG 4 Cb 1.15 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 1tot h ARG 4 CO 0.36 0.40 -0.17 1.97 -0.00 0.00 0.00 179.97 182.53 1tot n PHE 5 N -4.17 0.00 -4.06 4.08 1.16 -1.26 -5.11 117.46 108.09 1tot n PHE 5 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.46 1tot n PHE 5 Cb 0.35 0.11 -0.11 0.00 -1.61 0.00 0.00 39.48 38.23 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 0.43 0.05 1.97 1.01 -1.26 -4.58 120.40 118.02 1tot s VAL 6 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1tot s VAL 6 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1tot s VAL 6 CO 0.00 -0.56 0.08 -1.22 0.00 0.00 0.00 175.10 173.40 1tot n TYR 7 N 1.09 -0.77 -4.62 5.22 4.01 0.33 -0.43 117.16 122.01 1tot n TYR 7 Ca -0.20 -0.29 -0.28 0.00 -0.16 0.00 0.00 57.90 56.97 1tot n TYR 7 Cb 0.56 0.09 -0.10 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.62 1.56 -0.28 -0.72 -4.23 -1.18 -0.27 115.64 107.89 1tot s THR 8 Ca 0.03 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1tot s THR 8 Cb -0.00 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.17 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 4.57 0.00 -0.08 0.00 5.15 0.84 0.55 115.26 126.28 1tot n ASN 10 Ca -0.14 -0.96 -0.09 0.00 -0.60 0.00 0.00 54.58 52.80 1tot n ASN 10 Cb 0.43 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.56 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 -0.63 1.23 0.11 1.20 -0.58 -1.25 -4.47 120.64 116.25 1tot n GLU 11 Ca 0.03 0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 1tot n GLU 11 Cb 0.02 -1.41 0.01 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.66 -4.38 -4.20 0.00 4.01 0.19 -4.95 118.16 106.16 1tot n LYS 13 Ca 0.00 0.53 -0.13 0.00 -0.51 0.00 0.00 58.31 58.20 1tot n LYS 13 Cb 0.54 -5.33 -0.10 0.00 -0.51 0.00 0.00 35.03 29.63 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 -3.19 1.08 0.35 2.13 2.46 -1.23 -4.97 115.29 111.93 1tot s HIS 14 Ca 0.60 -0.77 -0.26 0.00 0.47 0.00 0.00 55.06 55.10 1tot s HIS 14 Cb -0.31 -0.58 -0.09 0.00 -0.13 0.00 0.00 32.58 31.46 1tot s HIS 14 CO 0.74 -0.02 1.01 -1.01 -2.47 0.00 0.00 174.74 172.99 1tot s HIS 15 N -3.14 3.51 0.23 3.88 3.76 -1.26 -1.14 115.29 121.13 1tot s HIS 15 Ca 0.12 1.72 0.01 0.00 -0.15 0.00 0.00 55.06 56.75 1tot s HIS 15 Cb 0.02 -3.06 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 1tot s HIS 15 CO -0.01 -0.24 0.17 0.14 -0.85 0.00 0.00 174.74 173.95 1tot s VAL 16 N -1.56 0.00 -0.02 -0.90 -7.23 0.62 -4.87 120.40 106.45 1tot s VAL 16 Ca 0.52 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 1tot s VAL 16 Cb -0.22 -2.50 -0.14 0.00 0.56 0.00 0.00 36.38 34.08 1tot s VAL 16 CO 0.28 0.00 0.19 -1.84 -0.31 0.00 0.00 175.10 173.41 1tot n GLU 17 N -0.35 0.46 -4.16 4.82 -0.00 -1.26 -0.51 120.64 119.64 1tot n GLU 17 Ca 0.03 -0.08 -0.17 0.00 -0.00 0.00 0.00 57.16 56.94 1tot n GLU 17 Cb 0.65 -1.22 -0.15 0.00 -0.00 0.00 0.00 31.44 30.73 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 -2.60 0.44 0.19 3.84 2.01 -1.26 -3.71 115.64 114.55 1tot s THR 18 Ca -0.03 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 1tot s THR 18 Cb 0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1tot s THR 18 CO 0.38 0.15 0.29 0.00 -0.69 0.00 0.00 174.62 174.74 1tot s ARG 19 N 0.18 1.26 -0.12 4.92 1.70 0.02 -4.54 118.95 122.38 1tot s ARG 19 Ca -0.02 -1.31 -0.06 0.00 -0.47 0.00 0.00 55.73 53.87 1tot s ARG 19 Cb -0.06 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 1tot s ARG 19 CO -0.00 -0.47 0.11 -1.58 -1.08 0.00 0.00 175.30 172.28 1tot s TRP 20 N -4.03 3.49 -0.06 5.89 0.52 0.41 -1.62 118.94 123.55 1tot s TRP 20 Ca 0.24 0.44 -0.01 0.00 0.02 0.00 0.00 56.10 56.79 1tot s TRP 20 Cb 0.03 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1tot s TRP 20 CO 0.05 0.66 0.01 -1.58 0.02 0.00 0.00 176.95 176.11 1tot s HIS 21 N -0.93 0.51 -0.07 -1.98 5.65 -0.02 -0.68 115.29 117.76 1tot s HIS 21 Ca 0.14 -0.06 -0.30 0.00 0.25 0.00 0.00 55.06 55.09 1tot s HIS 21 Cb -0.12 -0.69 -0.04 0.00 -1.18 0.00 0.00 32.58 30.55 1tot s HIS 21 CO 0.03 -0.27 1.42 0.00 -0.65 0.00 0.00 174.74 175.27 1tot n THR 23 N 5.12 1.75 -0.06 0.00 -2.24 -1.09 -3.97 114.28 113.78 1tot n THR 23 Ca 0.14 -1.20 -0.06 0.00 -2.27 0.00 0.00 64.05 60.66 1tot n THR 23 Cb 0.44 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.11 1.17 -1.46 2.28 3.14 -1.26 -5.02 118.33 118.30 1tot n VAL 24 Ca 0.25 0.23 -0.29 0.00 -2.96 0.00 0.00 64.34 61.57 1tot n VAL 24 Cb 0.85 -2.09 0.13 0.00 -1.06 0.00 0.00 33.84 31.67 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 -5.18 3.38 -1.21 0.00 2.02 -1.26 -4.33 118.70 112.11 1tot s GLU 26 Ca 0.63 -0.82 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 1tot s GLU 26 Cb -0.15 -5.07 0.12 0.00 0.10 0.00 0.00 34.13 29.12 1tot s GLU 26 CO 0.54 -2.33 0.43 -3.47 0.02 0.00 0.00 175.26 170.45 1tot n ASP 27 N 9.61 -2.40 -4.77 -0.19 2.03 -1.25 -4.87 116.55 114.70 1tot n ASP 27 Ca 0.27 -0.51 -0.37 0.00 0.52 0.00 0.00 54.79 54.70 1tot n ASP 27 Cb 0.50 -2.06 -0.01 0.00 -0.72 0.00 0.00 41.12 38.84 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 -2.84 2.84 0.18 -0.67 6.14 -1.26 -0.67 117.35 121.08 1tot s TYR 28 Ca 0.48 1.53 0.03 0.00 0.64 0.00 0.00 57.07 59.74 1tot s TYR 28 Cb -0.27 -3.40 -0.05 0.00 0.42 0.00 0.00 41.96 38.67 1tot s TYR 28 CO 0.58 -1.57 -0.02 -0.51 0.64 0.00 0.00 175.55 174.67 1tot s ASP 29 N -1.34 1.51 -0.15 4.32 1.01 -1.26 -0.79 116.67 119.96 1tot s ASP 29 Ca 0.64 -1.15 -0.10 0.00 0.71 0.00 0.00 52.55 52.65 1tot s ASP 29 Cb -0.29 0.06 0.05 0.00 1.01 0.00 0.00 42.92 43.75 1tot s ASP 29 CO 0.35 -0.50 0.38 -0.76 0.21 0.00 0.00 175.17 174.84 1tot s LEU 30 N -3.21 0.19 1.00 1.23 1.43 0.14 -0.11 118.68 119.34 1tot s LEU 30 Ca 0.24 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 1tot s LEU 30 Cb 0.05 1.24 0.19 0.00 0.03 0.00 0.00 46.19 47.70 1tot s LEU 30 CO 0.04 -0.17 1.08 0.00 0.23 0.00 0.00 176.35 177.54 1tot h ILE 32 N -1.95 0.69 -0.27 0.00 1.08 -1.91 0.14 117.51 115.29 1tot h ILE 32 Ca -0.54 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1tot h ILE 32 Cb 1.31 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1tot h ILE 32 CO 0.54 0.08 -0.04 -1.13 -0.69 0.00 0.00 178.15 176.90 1tot h ASN 33 N 0.41 0.50 -0.37 1.72 -1.24 -1.97 -1.36 115.58 113.27 1tot h ASN 33 Ca 0.37 -0.35 -0.11 0.00 0.71 0.00 0.00 56.30 56.92 1tot h ASN 33 Cb 0.53 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1tot h ASN 33 CO -0.37 0.73 -0.21 0.00 -1.29 0.00 0.00 177.43 176.29 1tot h TYR 35 N 0.59 0.30 0.00 0.00 3.20 -0.67 0.22 116.97 120.61 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 0.76 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1tot h TYR 35 CO 0.06 0.06 0.00 -0.91 -1.64 0.00 0.00 178.16 175.73 1tot h ASN 36 N 0.34 0.00 0.00 -2.11 2.35 -0.89 -3.25 115.58 112.02 1tot h ASN 36 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1tot h ASN 36 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1tot h ASN 36 CO -0.31 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 175.82 1tot n THR 37 N -2.52 0.01 -0.09 2.81 -2.24 -0.51 -4.78 114.28 106.96 1tot n THR 37 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1tot n THR 37 Cb 0.13 1.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.01 2.37 -3.72 -0.78 4.76 0.65 -5.03 118.16 116.40 1tot n LYS 38 Ca 0.00 -1.31 -0.25 0.00 -2.87 0.00 0.00 58.31 53.88 1tot n LYS 38 Cb 0.13 -0.95 -0.06 0.00 -1.84 0.00 0.00 35.03 32.31 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 -0.41 -0.11 -4.59 4.39 7.64 -1.23 -4.83 113.62 114.49 1tot n SER 39 Ca 0.00 -0.89 -0.42 0.00 1.01 0.00 0.00 58.87 58.57 1tot n SER 39 Cb 0.25 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 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 -3.41 1.60 -2.64 1.43 2.46 -1.26 -4.83 115.29 108.63 1tot s HIS 40 Ca 0.23 0.70 0.27 0.00 0.47 0.00 0.00 55.06 56.73 1tot s HIS 40 Cb -0.14 -4.04 0.80 0.00 -0.13 0.00 0.00 32.58 29.07 1tot s HIS 40 CO 0.71 -3.08 1.60 2.41 -2.47 0.00 0.00 174.74 173.91 1tot n THR 41 N 7.51 0.00 -1.93 0.89 -1.04 -1.26 -4.99 114.28 113.46 1tot n THR 41 Ca 0.25 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 1tot n THR 41 Cb 0.48 0.79 0.10 0.00 -1.82 0.00 0.00 70.33 69.88 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 -2.00 2.75 -0.95 -1.42 3.76 -1.26 -4.94 115.29 111.23 1tot s HIS 42 Ca 0.35 0.67 -0.24 0.00 -0.15 0.00 0.00 55.06 55.69 1tot s HIS 42 Cb 0.21 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.33 1tot s HIS 42 CO 0.33 -1.88 1.69 0.21 -0.85 0.00 0.00 174.74 174.23 1tot s LYS 43 N -5.60 3.07 0.13 1.40 2.20 -1.26 -4.94 119.74 114.74 1tot s LYS 43 Ca 0.64 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 1tot s LYS 43 Cb -0.10 -5.16 0.03 0.00 -1.51 0.00 0.00 37.83 31.09 1tot s LYS 43 CO 0.49 -2.76 0.17 -1.33 -0.36 0.00 0.00 175.35 171.56 1tot n MET 44 N 8.90 0.19 -4.31 4.03 2.81 -1.26 -2.67 117.12 124.80 1tot n MET 44 Ca 0.35 -0.36 -0.19 0.00 -1.81 0.00 0.00 57.70 55.69 1tot n MET 44 Cb 0.49 -0.15 -0.09 0.00 -0.71 0.00 0.00 33.22 32.77 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 -0.80 0.17 -0.10 2.03 -7.23 0.46 -4.75 120.40 110.17 1tot s VAL 45 Ca 0.11 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1tot s VAL 45 Cb -0.00 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.49 1tot s VAL 45 CO 0.07 0.00 0.25 -0.75 -0.31 0.00 0.00 175.10 174.36 1tot s LYS 46 N -3.69 0.25 -0.10 4.82 2.36 -1.26 -0.84 119.74 121.27 1tot s LYS 46 Ca 0.37 0.44 0.02 0.00 -2.55 0.00 0.00 55.97 54.25 1tot s LYS 46 Cb 0.04 0.02 0.01 0.00 -1.05 0.00 0.00 37.83 36.85 1tot s LYS 46 CO 0.21 -0.10 -0.15 -1.58 1.55 0.00 0.00 175.35 175.28 1tot s TRP 47 N 0.68 1.91 -0.04 4.03 0.52 -0.64 -5.00 118.94 120.40 1tot s TRP 47 Ca -0.04 -0.86 -0.03 0.00 0.02 0.00 0.00 56.10 55.19 1tot s TRP 47 Cb -0.06 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.91 1tot s TRP 47 CO -0.04 -0.44 0.11 0.20 0.02 0.00 0.00 176.95 176.80 1tot s GLY 48 N 0.90 -0.04 0.00 0.98 0.00 -1.26 -0.80 107.32 107.09 1tot s GLY 48 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1tot s GLY 48 CO 0.00 0.54 0.00 1.04 0.00 0.00 0.00 173.10 174.68 1tot n LEU 49 N 3.55 0.88 0.00 0.66 7.99 -1.24 -4.97 117.00 123.87 1tot n LEU 49 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 1tot n LEU 49 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1tot n LEU 49 CO 0.21 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1tot n GLY 50 N 2.93 0.90 2.58 -0.72 0.00 -1.26 -4.99 105.19 104.63 1tot n GLY 50 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 0.00 0.99 7.94 -1.26 -5.08 117.00 119.31 1tot n LEU 51 Ca 0.00 -3.93 0.08 0.00 -1.11 0.00 0.00 56.01 51.05 1tot n LEU 51 Cb 0.39 0.48 0.48 0.00 0.53 0.00 0.00 43.42 45.31 1tot n LEU 51 CO 0.00 1.91 0.69 -0.67 -1.11 0.00 0.00 177.39 178.21