#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 1.07 0.00 1.61 0.00 -1.26 -3.60 119.66 117.49 1tot s GLN 2 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 55.36 54.42 1tot s GLN 2 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 33.01 33.42 1tot s GLN 2 CO 0.00 -0.40 0.00 -3.47 0.00 0.00 0.00 175.29 171.42 1tot n ASP 3 N -0.19 0.00 -0.09 12.60 2.03 0.65 -4.86 116.55 126.69 1tot n ASP 3 Ca -0.12 -0.27 -0.12 0.00 0.52 0.00 0.00 54.79 54.80 1tot n ASP 3 Cb 0.63 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.52 0.00 -0.67 -0.00 -2.03 -3.39 114.38 108.81 1tot h ARG 4 Ca 0.00 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.98 59.25 1tot h ARG 4 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 29.89 1tot h ARG 4 CO 0.00 0.72 -0.34 1.97 0.00 0.00 0.00 179.97 182.32 1tot n PHE 5 N -4.53 0.00 -4.12 3.04 1.16 -1.26 -5.10 117.46 106.66 1tot n PHE 5 Ca -0.03 -0.10 -0.15 0.00 -1.87 0.00 0.00 57.45 55.30 1tot n PHE 5 Cb 0.30 0.11 -0.12 0.00 -1.61 0.00 0.00 39.48 38.16 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 0.76 0.00 1.97 1.01 -1.26 -4.62 120.40 118.27 1tot s VAL 6 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1tot s VAL 6 Cb 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1tot s VAL 6 CO -0.02 -0.30 0.00 -1.22 0.00 0.00 0.00 175.10 173.57 1tot n TYR 7 N 1.46 -0.28 -4.34 5.22 4.01 0.17 -0.25 117.16 123.15 1tot n TYR 7 Ca -0.22 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.35 1tot n TYR 7 Cb 0.55 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.55 0.60 -0.35 -0.72 -4.23 -1.24 -0.97 115.64 106.17 1tot s THR 8 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1tot s THR 8 Cb 0.00 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1tot s THR 8 CO 0.00 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.19 1tot n ASN 10 N 4.78 0.00 -0.04 0.00 5.15 0.13 0.50 115.26 125.77 1tot n ASN 10 Ca -0.11 -0.25 -0.02 0.00 -0.60 0.00 0.00 54.58 53.60 1tot n ASN 10 Cb 0.44 -0.03 -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 -1.03 0.66 0.02 1.20 -0.58 -1.25 -4.33 120.64 115.34 1tot n GLU 11 Ca 0.07 0.01 0.06 0.00 -0.42 0.00 0.00 57.16 56.87 1tot n GLU 11 Cb 0.04 -1.60 -0.10 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.61 -4.13 -4.36 0.00 4.01 0.18 -4.97 118.16 106.29 1tot n LYS 13 Ca -0.08 0.49 -0.18 0.00 -0.51 0.00 0.00 58.31 58.03 1tot n LYS 13 Cb 0.71 -5.28 -0.10 0.00 -0.51 0.00 0.00 35.03 29.84 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 -3.18 1.68 0.54 2.13 2.46 -1.24 -4.98 115.29 112.70 1tot s HIS 14 Ca 0.62 -0.78 -0.20 0.00 0.47 0.00 0.00 55.06 55.17 1tot s HIS 14 Cb -0.32 -0.93 -0.06 0.00 -0.13 0.00 0.00 32.58 31.14 1tot s HIS 14 CO 0.76 0.14 1.14 -1.58 -2.47 0.00 0.00 174.74 172.73 1tot s HIS 15 N -3.21 2.65 0.05 3.88 5.65 -1.26 -1.22 115.29 121.82 1tot s HIS 15 Ca 0.27 1.54 -0.11 0.00 0.25 0.00 0.00 55.06 57.01 1tot s HIS 15 Cb 0.04 -3.32 0.01 0.00 -1.18 0.00 0.00 32.58 28.12 1tot s HIS 15 CO 0.09 -1.65 0.22 0.14 -0.65 0.00 0.00 174.74 172.89 1tot s VAL 16 N -1.73 0.10 -0.07 0.89 -7.23 -0.15 -4.72 120.40 107.49 1tot s VAL 16 Ca 0.73 -0.86 0.19 0.00 -1.81 0.00 0.00 61.98 60.23 1tot s VAL 16 Cb -0.25 -0.96 -0.28 0.00 0.56 0.00 0.00 36.38 35.45 1tot s VAL 16 CO 0.28 -0.47 0.33 -1.84 -0.31 0.00 0.00 175.10 173.08 1tot n GLU 17 N 0.58 0.72 -4.76 4.82 0.00 -1.26 -0.65 120.64 120.09 1tot n GLU 17 Ca -0.18 -0.13 -0.25 0.00 0.00 0.00 0.00 57.16 56.59 1tot n GLU 17 Cb 0.59 -1.47 -0.16 0.00 0.00 0.00 0.00 31.44 30.40 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 -3.10 1.33 0.23 3.84 2.01 -1.26 -3.55 115.64 115.13 1tot s THR 18 Ca -0.08 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1tot s THR 18 Cb 0.11 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1tot s THR 18 CO 0.80 0.39 0.53 0.00 -0.69 0.00 0.00 174.62 175.65 1tot s ARG 19 N 0.19 1.50 -0.14 4.92 1.70 0.42 -4.52 118.95 123.01 1tot s ARG 19 Ca -0.07 -1.04 -0.06 0.00 -0.47 0.00 0.00 55.73 54.09 1tot s ARG 19 Cb -0.12 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1tot s ARG 19 CO 0.03 -0.64 0.09 -1.58 -1.08 0.00 0.00 175.30 172.12 1tot s TRP 20 N -3.94 3.40 -0.07 5.89 0.52 0.21 -1.51 118.94 123.45 1tot s TRP 20 Ca 0.15 0.33 -0.01 0.00 0.02 0.00 0.00 56.10 56.58 1tot s TRP 20 Cb -0.01 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1tot s TRP 20 CO 0.03 0.49 -0.00 -1.58 0.02 0.00 0.00 176.95 175.91 1tot s HIS 21 N -0.48 0.68 -0.07 -1.98 5.65 0.00 -0.50 115.29 118.59 1tot s HIS 21 Ca 0.11 -0.18 -0.30 0.00 0.25 0.00 0.00 55.06 54.94 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 0.02 -0.33 1.39 0.00 -0.65 0.00 0.00 174.74 175.17 1tot n THR 23 N 5.07 0.93 -0.09 0.00 -2.24 -1.10 -3.87 114.28 112.98 1tot n THR 23 Ca 0.14 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.87 1tot n THR 23 Cb 0.44 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.62 1.48 -1.56 2.28 3.14 -1.26 -5.01 118.33 119.02 1tot n VAL 24 Ca 0.24 0.13 -0.29 0.00 -2.96 0.00 0.00 64.34 61.46 1tot n VAL 24 Cb 0.61 -2.33 0.15 0.00 -1.06 0.00 0.00 33.84 31.21 1tot n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tot n GLU 26 N -3.85 2.00 -2.65 0.00 2.13 -1.26 -4.26 120.64 112.75 1tot n GLU 26 Ca 0.08 -1.93 -0.16 0.00 0.66 0.00 0.00 57.16 55.82 1tot n GLU 26 Cb 0.59 -2.88 -0.00 0.00 0.27 0.00 0.00 31.44 29.42 1tot n GLU 26 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tot n ASP 27 N 6.32 -4.25 -4.76 4.31 2.03 -1.25 -4.77 116.55 114.17 1tot n ASP 27 Ca 0.51 0.03 -0.39 0.00 0.52 0.00 0.00 54.79 55.46 1tot n ASP 27 Cb 0.33 -3.57 0.02 0.00 -0.72 0.00 0.00 41.12 37.18 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 -2.76 2.49 0.18 -0.67 6.14 -1.25 -1.08 117.35 120.39 1tot s TYR 28 Ca 0.10 1.34 0.04 0.00 0.64 0.00 0.00 57.07 59.18 1tot s TYR 28 Cb -0.05 -3.81 -0.05 0.00 0.42 0.00 0.00 41.96 38.48 1tot s TYR 28 CO 0.12 -2.70 -0.06 -0.51 0.64 0.00 0.00 175.55 173.04 1tot s ASP 29 N -0.74 1.76 -0.09 4.32 1.01 -1.26 -0.56 116.67 121.10 1tot s ASP 29 Ca 0.64 -1.09 -0.06 0.00 0.71 0.00 0.00 52.55 52.74 1tot s ASP 29 Cb -0.41 0.01 0.04 0.00 1.01 0.00 0.00 42.92 43.57 1tot s ASP 29 CO 0.51 -0.41 0.23 -0.76 0.21 0.00 0.00 175.17 174.95 1tot s LEU 30 N -3.21 0.74 1.17 1.23 1.43 0.35 -0.70 118.68 119.69 1tot s LEU 30 Ca 0.21 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 1tot s LEU 30 Cb 0.04 0.73 0.28 0.00 0.03 0.00 0.00 46.19 47.26 1tot s LEU 30 CO 0.03 -0.13 1.03 0.00 0.23 0.00 0.00 176.35 177.52 1tot h ILE 32 N -2.58 0.98 -0.45 0.00 1.08 -1.94 -0.16 117.51 114.45 1tot h ILE 32 Ca -0.58 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 63.63 1tot h ILE 32 Cb 1.34 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 1tot h ILE 32 CO 0.49 0.10 0.01 -1.13 -0.69 0.00 0.00 178.15 176.94 1tot h ASN 33 N 0.57 0.76 -0.27 1.72 -1.24 -1.98 -1.60 115.58 113.55 1tot h ASN 33 Ca 0.24 -0.30 -0.08 0.00 0.71 0.00 0.00 56.30 56.87 1tot h ASN 33 Cb 0.12 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1tot h ASN 33 CO -0.15 0.88 -0.14 0.00 -1.29 0.00 0.00 177.43 176.73 1tot h TYR 35 N 0.30 0.45 0.00 0.00 3.20 -0.91 0.28 116.97 120.29 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 0.65 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1tot h TYR 35 CO 0.06 0.12 0.00 0.09 -1.64 0.00 0.00 178.16 176.79 1tot n ASN 36 N -4.97 0.22 0.00 -2.11 3.02 -0.61 -3.34 115.26 107.46 1tot n ASN 36 Ca 0.10 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1tot n ASN 36 Cb 0.29 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.79 0.00 0.84 3.41 -2.24 -0.52 -4.79 114.28 109.18 1tot n THR 37 Ca -0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1tot n THR 37 Cb 0.02 -0.60 0.36 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.36 0.42 -3.94 -0.78 4.76 0.86 -4.88 118.16 112.24 1tot n LYS 38 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1tot n LYS 38 Cb 0.29 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 31.95 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 -0.95 0.24 -4.61 4.39 7.64 -1.21 -4.83 113.62 114.28 1tot n SER 39 Ca 0.09 -1.01 -0.43 0.00 1.01 0.00 0.00 58.87 58.53 1tot n SER 39 Cb 0.04 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 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 -3.79 1.80 -2.79 1.43 2.46 -1.26 -4.86 115.29 108.28 1tot s HIS 40 Ca 0.16 0.54 0.25 0.00 0.47 0.00 0.00 55.06 56.49 1tot s HIS 40 Cb -0.09 -4.08 0.51 0.00 -0.13 0.00 0.00 32.58 28.79 1tot s HIS 40 CO 0.80 -3.18 1.44 2.41 -2.47 0.00 0.00 174.74 173.74 1tot n THR 41 N 7.11 0.03 -1.99 0.89 -1.04 -1.26 -5.00 114.28 113.02 1tot n THR 41 Ca 0.22 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.05 61.53 1tot n THR 41 Cb 0.46 1.11 0.08 0.00 -1.82 0.00 0.00 70.33 70.16 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 -1.97 2.98 -0.96 -1.42 3.76 -1.26 -4.94 115.29 111.47 1tot s HIS 42 Ca 0.32 0.69 -0.24 0.00 -0.15 0.00 0.00 55.06 55.68 1tot s HIS 42 Cb 0.20 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.50 1tot s HIS 42 CO 0.31 -1.61 1.83 0.21 -0.85 0.00 0.00 174.74 174.63 1tot s LYS 43 N -5.46 2.81 0.23 1.40 2.20 -1.26 -4.93 119.74 114.73 1tot s LYS 43 Ca 0.61 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1tot s LYS 43 Cb -0.11 -5.15 0.05 0.00 -1.51 0.00 0.00 37.83 31.11 1tot s LYS 43 CO 0.48 -3.14 0.31 -1.33 -0.36 0.00 0.00 175.35 171.31 1tot n MET 44 N 8.81 -0.01 -4.33 4.03 2.81 -1.26 -2.72 117.12 124.45 1tot n MET 44 Ca 0.39 -0.61 -0.19 0.00 -1.81 0.00 0.00 57.70 55.48 1tot n MET 44 Cb 0.48 -0.28 -0.09 0.00 -0.71 0.00 0.00 33.22 32.62 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 -1.28 0.28 -0.06 2.03 -7.23 0.73 -4.75 120.40 110.12 1tot s VAL 45 Ca 0.19 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1tot s VAL 45 Cb -0.01 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.45 1tot s VAL 45 CO 0.13 0.00 0.14 -0.75 -0.31 0.00 0.00 175.10 174.31 1tot s LYS 46 N -3.79 0.14 -0.06 4.82 2.36 -1.26 -0.82 119.74 121.13 1tot s LYS 46 Ca 0.36 0.25 0.02 0.00 -2.55 0.00 0.00 55.97 54.04 1tot s LYS 46 Cb 0.05 0.00 0.02 0.00 -1.05 0.00 0.00 37.83 36.85 1tot s LYS 46 CO 0.18 -0.06 -0.09 -1.58 1.55 0.00 0.00 175.35 175.35 1tot s TRP 47 N 0.41 1.18 -0.01 4.03 0.52 -0.57 -5.00 118.94 119.50 1tot s TRP 47 Ca -0.03 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1tot s TRP 47 Cb -0.04 -0.92 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 1tot s TRP 47 CO -0.02 -0.25 -0.01 0.20 0.02 0.00 0.00 176.95 176.89 1tot s GLY 48 N 0.78 0.11 0.00 0.98 0.00 -1.26 -0.44 107.32 107.49 1tot s GLY 48 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1tot s GLY 48 CO 0.02 0.11 0.29 1.04 0.00 0.00 0.00 173.10 174.56 1tot n LEU 49 N 3.31 0.00 0.00 0.66 4.77 -1.23 -4.97 117.00 119.54 1tot n LEU 49 Ca -0.16 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1tot n LEU 49 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1tot n LEU 49 CO 0.25 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1tot n GLY 50 N 0.00 -1.98 2.49 -0.72 0.00 -1.26 -4.97 105.19 98.75 1tot n GLY 50 Ca 0.00 0.58 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.31 8.04 0.00 0.99 4.32 -1.26 -5.09 117.00 122.70 1tot n LEU 51 Ca 0.00 -4.75 0.00 0.00 -0.02 0.00 0.00 56.01 51.24 1tot n LEU 51 Cb 0.00 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.38 1tot n LEU 51 CO 0.00 1.98 0.14 -0.67 -1.22 0.00 0.00 177.39 177.62