#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 1.52 0.26 1.61 0.00 -1.26 -3.27 119.66 118.52 1tot s GLN 2 Ca 0.00 -1.16 -0.14 0.00 -0.00 0.00 0.00 55.36 54.06 1tot s GLN 2 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 33.01 33.50 1tot s GLN 2 CO 0.00 -0.64 0.54 0.34 0.00 0.00 0.00 175.29 175.53 1tot s ASP 3 N -2.98 -0.09 0.54 12.60 2.15 0.58 -4.86 116.67 124.62 1tot s ASP 3 Ca 0.19 -0.89 0.25 0.00 0.43 0.00 0.00 52.55 52.53 1tot s ASP 3 Cb -0.01 0.63 1.53 0.00 -0.30 0.00 0.00 42.92 44.76 1tot s ASP 3 CO 0.06 -1.21 2.16 0.08 -0.17 0.00 0.00 175.17 176.09 1tot h ARG 4 N 2.19 0.00 0.00 4.34 -0.00 -2.02 -3.33 114.38 115.56 1tot h ARG 4 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 1tot h ARG 4 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1tot h ARG 4 CO 0.33 0.06 0.00 1.97 -0.00 0.00 0.00 179.97 182.33 1tot n PHE 5 N -3.98 0.00 -4.25 4.08 1.16 -1.26 -5.09 117.46 108.13 1tot n PHE 5 Ca -0.03 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.38 1tot n PHE 5 Cb 0.14 0.03 -0.11 0.00 -1.61 0.00 0.00 39.48 37.93 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 1.34 0.11 1.97 1.01 -1.25 -4.61 120.40 118.97 1tot s VAL 6 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.17 1tot s VAL 6 Cb 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1tot s VAL 6 CO 0.00 -0.46 0.20 -1.22 0.00 0.00 0.00 175.10 173.62 1tot n TYR 7 N 0.41 -1.17 -4.42 5.22 4.01 0.31 -0.30 117.16 121.21 1tot n TYR 7 Ca -0.15 -0.59 -0.21 0.00 -0.16 0.00 0.00 57.90 56.80 1tot n TYR 7 Cb 0.58 0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 39.73 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 -2.67 1.17 -0.31 -0.72 -4.23 -1.20 -0.89 115.64 106.78 1tot s THR 8 Ca 0.06 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1tot s THR 8 Cb -0.01 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1tot s THR 8 CO 0.04 -0.07 0.05 0.00 -0.54 0.00 0.00 174.62 174.10 1tot n ASN 10 N 4.74 0.00 -0.05 0.00 5.15 0.53 0.60 115.26 126.23 1tot n ASN 10 Ca -0.13 -0.46 -0.02 0.00 -0.60 0.00 0.00 54.58 53.37 1tot n ASN 10 Cb 0.45 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.55 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 -0.98 0.67 0.02 1.20 -0.58 -1.25 -4.33 120.64 115.38 1tot n GLU 11 Ca 0.10 -0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 1tot n GLU 11 Cb 0.05 -1.58 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 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 -2.50 -3.50 -4.14 0.00 4.01 0.20 -4.97 118.16 107.26 1tot n LYS 13 Ca -0.07 0.42 -0.09 0.00 -0.51 0.00 0.00 58.31 58.06 1tot n LYS 13 Cb 0.66 -4.83 -0.10 0.00 -0.51 0.00 0.00 35.03 30.26 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 -3.67 0.74 0.41 2.13 2.46 -1.24 -4.98 115.29 111.15 1tot s HIS 14 Ca 0.32 -0.97 -0.23 0.00 0.47 0.00 0.00 55.06 54.65 1tot s HIS 14 Cb -0.17 -0.46 -0.09 0.00 -0.13 0.00 0.00 32.58 31.72 1tot s HIS 14 CO 0.90 -0.24 1.02 -1.01 -2.47 0.00 0.00 174.74 172.94 1tot s HIS 15 N -3.71 3.27 0.07 3.88 3.76 -1.26 -1.24 115.29 120.07 1tot s HIS 15 Ca 0.10 1.64 -0.04 0.00 -0.15 0.00 0.00 55.06 56.61 1tot s HIS 15 Cb 0.06 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1tot s HIS 15 CO -0.07 -0.51 0.06 0.14 -0.85 0.00 0.00 174.74 173.52 1tot s VAL 16 N -1.77 0.18 -0.07 -0.90 -7.23 -0.07 -4.84 120.40 105.70 1tot s VAL 16 Ca 0.59 -1.58 0.22 0.00 -1.81 0.00 0.00 61.98 59.39 1tot s VAL 16 Cb -0.19 -1.50 -0.28 0.00 0.56 0.00 0.00 36.38 34.97 1tot s VAL 16 CO 0.24 -0.82 0.55 -1.84 -0.31 0.00 0.00 175.10 172.92 1tot n GLU 17 N 0.03 0.65 -4.17 4.82 -0.00 -1.26 -0.53 120.64 120.18 1tot n GLU 17 Ca -0.14 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.16 56.72 1tot n GLU 17 Cb 0.62 -1.57 -0.15 0.00 -0.00 0.00 0.00 31.44 30.33 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 -3.42 0.46 0.21 3.84 2.01 -1.26 -3.78 115.64 113.69 1tot s THR 18 Ca -0.07 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 1tot s THR 18 Cb 0.13 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 1tot s THR 18 CO 0.88 0.16 0.26 0.00 -0.69 0.00 0.00 174.62 175.23 1tot s ARG 19 N 0.22 1.30 -0.10 4.92 1.70 -0.27 -4.54 118.95 122.18 1tot s ARG 19 Ca -0.02 -1.44 -0.04 0.00 -0.47 0.00 0.00 55.73 53.76 1tot s ARG 19 Cb -0.06 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1tot s ARG 19 CO -0.00 -0.47 0.05 -1.58 -1.08 0.00 0.00 175.30 172.21 1tot s TRP 20 N -4.09 3.30 -0.06 5.89 0.52 0.56 -1.56 118.94 123.50 1tot s TRP 20 Ca 0.30 0.29 -0.01 0.00 0.02 0.00 0.00 56.10 56.70 1tot s TRP 20 Cb 0.04 -1.85 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1tot s TRP 20 CO 0.09 0.53 0.01 -1.58 0.02 0.00 0.00 176.95 176.02 1tot s HIS 21 N -0.86 0.59 -0.12 -1.98 5.65 0.30 -0.45 115.29 118.42 1tot s HIS 21 Ca 0.13 -0.11 -0.29 0.00 0.25 0.00 0.00 55.06 55.03 1tot s HIS 21 Cb -0.12 -0.74 -0.04 0.00 -1.18 0.00 0.00 32.58 30.51 1tot s HIS 21 CO 0.03 -0.30 1.49 0.00 -0.65 0.00 0.00 174.74 175.31 1tot n THR 23 N 5.55 2.37 -0.06 0.00 -2.24 -1.01 -3.92 114.28 114.98 1tot n THR 23 Ca 0.16 -1.34 -0.07 0.00 -2.27 0.00 0.00 64.05 60.53 1tot n THR 23 Cb 0.44 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.79 1.42 -1.41 2.28 3.14 -1.26 -5.01 118.33 118.28 1tot n VAL 24 Ca 0.27 0.20 -0.29 0.00 -2.96 0.00 0.00 64.34 61.56 1tot n VAL 24 Cb 1.07 -2.17 0.17 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 -5.29 3.53 -1.39 0.00 2.02 -1.26 -4.37 118.70 111.94 1tot s GLU 26 Ca 0.66 -1.14 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 1tot s GLU 26 Cb -0.14 -5.35 0.12 0.00 0.10 0.00 0.00 34.13 28.86 1tot s GLU 26 CO 0.55 -2.34 0.56 -3.47 0.02 0.00 0.00 175.26 170.57 1tot n ASP 27 N 9.37 -3.09 -4.77 -0.19 2.03 -1.25 -4.91 116.55 113.73 1tot n ASP 27 Ca 0.36 -0.63 -0.38 0.00 0.52 0.00 0.00 54.79 54.66 1tot n ASP 27 Cb 0.50 -2.57 -0.02 0.00 -0.72 0.00 0.00 41.12 38.31 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 -3.00 3.01 0.18 -0.67 6.14 -1.25 -1.87 117.35 119.89 1tot s TYR 28 Ca 0.54 1.55 0.05 0.00 0.64 0.00 0.00 57.07 59.85 1tot s TYR 28 Cb -0.29 -3.38 -0.05 0.00 0.42 0.00 0.00 41.96 38.66 1tot s TYR 28 CO 0.66 -1.36 -0.09 -0.51 0.64 0.00 0.00 175.55 174.89 1tot s ASP 29 N -1.24 2.05 -0.12 4.32 1.01 -1.26 -0.58 116.67 120.86 1tot s ASP 29 Ca 0.59 -1.06 -0.08 0.00 0.71 0.00 0.00 52.55 52.71 1tot s ASP 29 Cb -0.29 -0.05 0.04 0.00 1.01 0.00 0.00 42.92 43.63 1tot s ASP 29 CO 0.37 -0.32 0.29 -0.76 0.21 0.00 0.00 175.17 174.96 1tot s LEU 30 N -3.24 0.61 1.03 1.23 1.43 0.40 -0.35 118.68 119.78 1tot s LEU 30 Ca 0.21 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.80 1tot s LEU 30 Cb 0.02 0.97 0.21 0.00 0.03 0.00 0.00 46.19 47.42 1tot s LEU 30 CO 0.04 -0.13 1.08 0.00 0.23 0.00 0.00 176.35 177.56 1tot h ILE 32 N -2.05 0.79 -0.24 0.00 1.08 -1.89 0.63 117.51 115.83 1tot h ILE 32 Ca -0.55 -0.19 -0.11 0.00 -0.39 0.00 0.00 64.86 63.61 1tot h ILE 32 Cb 1.32 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1tot h ILE 32 CO 0.55 0.10 -0.30 -1.13 -0.69 0.00 0.00 178.15 176.68 1tot h ASN 33 N 0.56 0.68 -0.26 1.72 -1.24 -1.98 -1.80 115.58 113.26 1tot h ASN 33 Ca 0.38 -0.50 -0.08 0.00 0.71 0.00 0.00 56.30 56.81 1tot h ASN 33 Cb 0.46 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1tot h ASN 33 CO -0.31 1.04 -0.15 0.00 -1.29 0.00 0.00 177.43 176.72 1tot h TYR 35 N 0.30 0.27 0.00 0.00 3.20 -0.87 0.24 116.97 120.11 1tot h TYR 35 Ca 0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1tot h TYR 35 Cb 0.67 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1tot h TYR 35 CO 0.06 -0.01 0.00 0.09 -1.64 0.00 0.00 178.16 176.67 1tot n ASN 36 N -5.10 0.43 0.00 -2.11 3.02 -0.68 -3.57 115.26 107.26 1tot n ASN 36 Ca 0.10 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1tot n ASN 36 Cb 0.34 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.06 0.00 0.24 3.41 -2.24 -0.47 -4.80 114.28 108.36 1tot n THR 37 Ca -0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1tot n THR 37 Cb 0.06 -0.78 0.14 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.52 0.01 -3.94 -0.78 4.76 0.74 -4.88 118.16 111.55 1tot n LYS 38 Ca 0.00 0.37 -0.28 0.00 -2.87 0.00 0.00 58.31 55.53 1tot n LYS 38 Cb 0.28 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.47 -2.14 -4.59 4.39 7.64 -1.23 -4.87 113.62 111.34 1tot n SER 39 Ca 0.02 -0.91 -0.42 0.00 1.01 0.00 0.00 58.87 58.56 1tot n SER 39 Cb 0.07 -3.42 -0.03 0.00 -1.01 0.00 0.00 64.21 59.83 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 -3.61 1.66 -2.25 1.43 2.46 -1.26 -4.85 115.29 108.87 1tot s HIS 40 Ca 0.30 0.67 0.19 0.00 0.47 0.00 0.00 55.06 56.70 1tot s HIS 40 Cb -0.16 -4.07 0.60 0.00 -0.13 0.00 0.00 32.58 28.83 1tot s HIS 40 CO 0.87 -3.05 1.47 2.41 -2.47 0.00 0.00 174.74 173.96 1tot n THR 41 N 7.48 0.34 -2.39 0.89 -1.04 -1.26 -4.98 114.28 113.32 1tot n THR 41 Ca 0.24 -0.47 -0.24 0.00 -2.04 0.00 0.00 64.05 61.54 1tot n THR 41 Cb 0.47 0.46 0.07 0.00 -1.82 0.00 0.00 70.33 69.52 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 -1.66 2.54 -0.94 -1.42 3.76 -1.26 -4.99 115.29 111.32 1tot s HIS 42 Ca 0.32 0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 55.14 1tot s HIS 42 Cb 0.18 -3.09 0.02 0.00 1.11 0.00 0.00 32.58 30.80 1tot s HIS 42 CO 0.26 -1.40 1.61 0.21 -0.85 0.00 0.00 174.74 174.57 1tot s LYS 43 N -5.12 3.20 0.18 1.40 2.20 -1.26 -4.95 119.74 115.38 1tot s LYS 43 Ca 0.61 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1tot s LYS 43 Cb -0.09 -5.14 0.04 0.00 -1.51 0.00 0.00 37.83 31.13 1tot s LYS 43 CO 0.43 -2.59 0.25 -1.33 -0.36 0.00 0.00 175.35 171.75 1tot n MET 44 N 8.93 0.09 -4.33 4.03 2.81 -1.26 -2.40 117.12 124.99 1tot n MET 44 Ca 0.32 -0.51 -0.18 0.00 -1.81 0.00 0.00 57.70 55.52 1tot n MET 44 Cb 0.50 -0.22 -0.10 0.00 -0.71 0.00 0.00 33.22 32.69 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 -1.05 0.40 -0.09 2.03 -7.23 0.77 -4.74 120.40 110.49 1tot s VAL 45 Ca 0.15 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1tot s VAL 45 Cb -0.01 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1tot s VAL 45 CO 0.10 0.00 0.22 -0.75 -0.31 0.00 0.00 175.10 174.36 1tot s LYS 46 N -3.91 0.20 -0.16 4.82 2.36 -1.26 -0.54 119.74 121.26 1tot s LYS 46 Ca 0.36 0.43 0.00 0.00 -2.55 0.00 0.00 55.97 54.21 1tot s LYS 46 Cb 0.06 -0.05 0.03 0.00 -1.05 0.00 0.00 37.83 36.82 1tot s LYS 46 CO 0.16 -0.12 -0.10 -1.58 1.55 0.00 0.00 175.35 175.26 1tot s TRP 47 N 0.87 2.00 -0.00 4.03 0.52 -0.60 -5.00 118.94 120.75 1tot s TRP 47 Ca -0.06 -1.21 0.02 0.00 0.02 0.00 0.00 56.10 54.86 1tot s TRP 47 Cb -0.08 -1.47 -0.00 0.00 -1.15 0.00 0.00 33.47 30.77 1tot s TRP 47 CO -0.05 -0.65 -0.05 0.20 0.02 0.00 0.00 176.95 176.42 1tot s GLY 48 N 1.54 0.26 0.00 0.98 0.00 -1.26 -1.11 107.32 107.72 1tot s GLY 48 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1tot s GLY 48 CO -0.09 -0.16 0.28 1.04 0.00 0.00 0.00 173.10 174.16 1tot n LEU 49 N 2.99 0.05 0.02 0.66 4.77 -1.25 -5.01 117.00 119.22 1tot n LEU 49 Ca -0.13 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1tot n LEU 49 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1tot n LEU 49 CO 0.25 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1tot n GLY 50 N -0.01 -0.73 2.90 -0.72 0.00 -1.26 -5.02 105.19 100.35 1tot n GLY 50 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1tot n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tot s LEU 51 N -5.00 4.54 0.00 0.99 1.43 -1.26 -5.10 118.68 114.27 1tot s LEU 51 Ca 0.00 -3.57 0.21 0.00 -1.03 0.00 0.00 54.13 49.74 1tot s LEU 51 Cb 0.00 -1.59 1.27 0.00 0.03 0.00 0.00 46.19 45.90 1tot s LEU 51 CO 0.00 -0.13 1.65 -0.67 0.23 0.00 0.00 176.35 177.43