#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 0.26 1.61 -0.21 -1.26 -2.62 119.66 118.59 1tot s GLN 2 Ca 0.00 -1.57 -0.21 0.00 0.02 0.00 0.00 55.36 53.59 1tot s GLN 2 Cb 0.00 -0.10 0.03 0.00 1.00 0.00 0.00 33.01 33.94 1tot s GLN 2 CO 0.00 -0.22 0.70 0.34 -2.12 0.00 0.00 175.29 173.99 1tot s ASP 3 N -3.18 -0.30 0.49 5.90 -1.08 0.50 -4.87 116.67 114.13 1tot s ASP 3 Ca 0.29 -0.52 0.30 0.00 -0.52 0.00 0.00 52.55 52.09 1tot s ASP 3 Cb 0.07 0.71 1.38 0.00 -1.46 0.00 0.00 42.92 43.62 1tot s ASP 3 CO 0.06 -1.29 1.78 0.08 0.52 0.00 0.00 175.17 176.33 1tot h ARG 4 N 2.00 0.14 0.00 4.34 -0.00 -2.02 -3.24 114.38 115.61 1tot h ARG 4 Ca -0.21 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.69 1tot h ARG 4 Cb 1.26 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.97 31.13 1tot h ARG 4 CO 0.25 0.09 -0.14 1.97 -0.00 0.00 0.00 179.97 182.14 1tot n PHE 5 N -4.37 0.00 -3.98 4.08 1.16 -1.26 -5.08 117.46 108.01 1tot n PHE 5 Ca 0.26 -0.25 -0.11 0.00 -1.87 0.00 0.00 57.45 55.48 1tot n PHE 5 Cb 1.12 0.37 -0.12 0.00 -1.61 0.00 0.00 39.48 39.24 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 0.18 0.00 1.97 1.01 -1.22 -4.67 120.40 117.66 1tot s VAL 6 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1tot s VAL 6 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1tot s VAL 6 CO 0.00 -0.26 0.00 -1.22 0.00 0.00 0.00 175.10 173.62 1tot n TYR 7 N 2.18 -0.49 -4.60 5.22 4.02 0.03 -0.37 117.16 123.15 1tot n TYR 7 Ca -0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.43 1tot n TYR 7 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.79 1tot n TYR 7 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1tot s THR 8 N -2.67 1.56 -0.31 -0.72 -4.23 -1.08 -0.52 115.64 107.67 1tot s THR 8 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1tot s THR 8 Cb 0.00 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1tot s THR 8 CO 0.00 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.10 1tot n ASN 10 N 4.62 0.00 -0.06 0.00 5.15 0.49 0.42 115.26 125.88 1tot n ASN 10 Ca -0.12 -0.29 -0.02 0.00 -0.60 0.00 0.00 54.58 53.55 1tot n ASN 10 Cb 0.43 -0.00 -0.16 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 -1.00 0.67 0.03 1.20 -0.58 -1.25 -4.35 120.64 115.37 1tot n GLU 11 Ca 0.07 -0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 1tot n GLU 11 Cb 0.03 -1.54 -0.09 0.00 -0.57 0.00 0.00 31.44 29.27 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 -2.57 -4.44 -4.17 0.00 4.01 0.17 -4.98 118.16 106.18 1tot n LYS 13 Ca -0.06 0.51 -0.11 0.00 -0.51 0.00 0.00 58.31 58.14 1tot n LYS 13 Cb 0.66 -5.20 -0.10 0.00 -0.51 0.00 0.00 35.03 29.88 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 -3.44 0.91 0.39 2.13 2.46 -1.24 -4.98 115.29 111.52 1tot s HIS 14 Ca 0.51 -1.04 -0.25 0.00 0.47 0.00 0.00 55.06 54.75 1tot s HIS 14 Cb -0.26 -0.54 -0.09 0.00 -0.13 0.00 0.00 32.58 31.56 1tot s HIS 14 CO 0.87 -0.28 1.13 -1.01 -2.47 0.00 0.00 174.74 172.98 1tot s HIS 15 N -3.77 3.14 0.03 3.88 3.76 -1.26 -1.29 115.29 119.78 1tot s HIS 15 Ca 0.17 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 56.64 1tot s HIS 15 Cb 0.06 -3.32 -0.02 0.00 1.11 0.00 0.00 32.58 30.41 1tot s HIS 15 CO -0.02 -1.11 0.03 0.14 -0.85 0.00 0.00 174.74 172.93 1tot s VAL 16 N -1.46 0.13 -0.02 -0.90 -7.23 0.32 -4.85 120.40 106.40 1tot s VAL 16 Ca 0.57 -1.11 -0.14 0.00 -1.81 0.00 0.00 61.98 59.48 1tot s VAL 16 Cb -0.29 -0.71 -0.33 0.00 0.56 0.00 0.00 36.38 35.61 1tot s VAL 16 CO 0.36 -0.61 0.82 1.05 -0.31 0.00 0.00 175.10 176.41 1tot h GLU 17 N 4.02 0.45 -5.85 4.82 9.09 -1.84 0.13 114.58 125.39 1tot h GLU 17 Ca -0.32 -0.77 -0.60 0.00 0.05 0.00 0.00 59.36 57.72 1tot h GLU 17 Cb 1.19 0.29 -0.30 0.00 -1.65 0.00 0.00 28.75 28.27 1tot h GLU 17 CO 0.49 1.37 -0.85 0.99 0.05 0.00 0.00 179.01 181.05 1tot s THR 18 N -2.57 1.60 0.27 -1.06 2.01 -1.26 -4.19 115.64 110.44 1tot s THR 18 Ca -0.13 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 1tot s THR 18 Cb 0.04 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1tot s THR 18 CO 0.89 0.45 0.30 0.00 -0.69 0.00 0.00 174.62 175.57 1tot s ARG 19 N -0.35 1.56 -0.09 4.92 1.70 0.67 -4.31 118.95 123.05 1tot s ARG 19 Ca 0.05 -1.71 -0.00 0.00 -0.47 0.00 0.00 55.73 53.59 1tot s ARG 19 Cb -0.09 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1tot s ARG 19 CO 0.00 -0.59 -0.06 -1.58 -1.08 0.00 0.00 175.30 172.00 1tot s TRP 20 N -3.70 2.97 -0.08 5.89 0.52 0.38 -1.48 118.94 123.44 1tot s TRP 20 Ca 0.35 -0.05 -0.02 0.00 0.02 0.00 0.00 56.10 56.40 1tot s TRP 20 Cb 0.03 -1.77 0.03 0.00 -1.15 0.00 0.00 33.47 30.62 1tot s TRP 20 CO 0.18 0.25 0.03 -1.58 0.02 0.00 0.00 176.95 175.85 1tot s HIS 21 N -0.54 0.50 0.03 -1.98 5.65 0.52 -0.56 115.29 118.91 1tot s HIS 21 Ca 0.08 -0.13 -0.30 0.00 0.25 0.00 0.00 55.06 54.95 1tot s HIS 21 Cb -0.12 -0.73 -0.06 0.00 -1.18 0.00 0.00 32.58 30.49 1tot s HIS 21 CO 0.02 -0.34 1.45 0.00 -0.65 0.00 0.00 174.74 175.22 1tot n THR 23 N 4.56 1.52 -0.07 0.00 -2.24 -0.01 -3.96 114.28 114.08 1tot n THR 23 Ca 0.13 -1.20 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 1tot n THR 23 Cb 0.43 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.86 1.18 -1.30 2.28 3.14 -1.24 -5.00 118.33 118.25 1tot n VAL 24 Ca 0.21 0.22 -0.29 0.00 -2.96 0.00 0.00 64.34 61.52 1tot n VAL 24 Cb 0.72 -2.14 0.19 0.00 -1.06 0.00 0.00 33.84 31.55 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 -5.27 3.55 -1.09 0.00 2.02 -1.26 -4.38 118.70 112.27 1tot s GLU 26 Ca 0.68 -1.09 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 1tot s GLU 26 Cb -0.13 -5.23 0.11 0.00 0.10 0.00 0.00 34.13 28.98 1tot s GLU 26 CO 0.56 -2.17 0.37 -3.47 0.02 0.00 0.00 175.26 170.56 1tot n ASP 27 N 8.75 -2.16 -4.77 -0.19 2.03 -1.26 -4.87 116.55 114.09 1tot n ASP 27 Ca 0.30 -0.41 -0.39 0.00 0.52 0.00 0.00 54.79 54.81 1tot n ASP 27 Cb 0.51 -1.87 -0.01 0.00 -0.72 0.00 0.00 41.12 39.02 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 -2.74 2.99 0.16 -0.67 6.14 -1.25 -1.52 117.35 120.45 1tot s TYR 28 Ca 0.43 1.49 0.03 0.00 0.64 0.00 0.00 57.07 59.65 1tot s TYR 28 Cb -0.24 -3.53 -0.05 0.00 0.42 0.00 0.00 41.96 38.56 1tot s TYR 28 CO 0.52 -1.65 -0.04 -0.51 0.64 0.00 0.00 175.55 174.51 1tot s ASP 29 N -0.90 1.46 -0.12 4.32 1.01 -1.26 -0.58 116.67 120.60 1tot s ASP 29 Ca 0.56 -1.10 -0.07 0.00 0.71 0.00 0.00 52.55 52.64 1tot s ASP 29 Cb -0.35 0.06 0.05 0.00 1.01 0.00 0.00 42.92 43.69 1tot s ASP 29 CO 0.44 -0.47 0.29 -0.76 0.21 0.00 0.00 175.17 174.87 1tot s LEU 30 N -3.17 0.41 1.12 1.23 1.43 0.27 -0.38 118.68 119.60 1tot s LEU 30 Ca 0.20 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 1tot s LEU 30 Cb 0.05 0.90 0.26 0.00 0.03 0.00 0.00 46.19 47.43 1tot s LEU 30 CO 0.02 -0.16 1.05 0.00 0.23 0.00 0.00 176.35 177.49 1tot h ILE 32 N -2.48 0.76 -0.61 0.00 1.08 -1.94 0.83 117.51 115.14 1tot h ILE 32 Ca -0.58 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 63.76 1tot h ILE 32 Cb 1.32 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 1tot h ILE 32 CO 0.49 0.04 0.20 -1.13 -0.69 0.00 0.00 178.15 177.07 1tot h ASN 33 N 0.23 0.88 -0.26 1.72 -1.24 -1.96 -0.48 115.58 114.47 1tot h ASN 33 Ca 0.22 -0.20 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 1tot h ASN 33 Cb 0.28 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1tot h ASN 33 CO -0.29 0.84 -0.18 0.00 -1.29 0.00 0.00 177.43 176.51 1tot h TYR 35 N 0.30 0.10 0.00 0.00 3.20 -0.62 0.42 116.97 120.38 1tot h TYR 35 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1tot h TYR 35 Cb 0.72 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1tot h TYR 35 CO 0.07 0.01 0.00 0.09 -1.64 0.00 0.00 178.16 176.69 1tot n ASN 36 N -5.10 0.00 0.02 -2.11 4.13 -0.21 -2.11 115.26 109.89 1tot n ASN 36 Ca 0.02 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1tot n ASN 36 Cb 0.16 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1tot n ASN 36 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1tot n THR 37 N -1.36 0.19 0.25 3.41 -2.24 -0.50 -4.78 114.28 109.24 1tot n THR 37 Ca 0.01 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1tot n THR 37 Cb 0.02 -1.11 0.42 0.00 -2.10 0.00 0.00 70.33 67.56 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 -2.98 0.11 -4.16 -0.78 4.76 0.14 -4.89 118.16 110.37 1tot n LYS 38 Ca 0.00 0.50 -0.31 0.00 -2.87 0.00 0.00 58.31 55.63 1tot n LYS 38 Cb 0.22 -1.79 -0.04 0.00 -1.84 0.00 0.00 35.03 31.58 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 -2.02 -0.97 -4.64 4.39 7.64 -0.90 -4.86 113.62 112.26 1tot n SER 39 Ca 0.01 -1.09 -0.42 0.00 1.01 0.00 0.00 58.87 58.37 1tot n SER 39 Cb 0.11 -2.53 -0.03 0.00 -1.01 0.00 0.00 64.21 60.74 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 -3.82 1.43 -2.31 1.43 2.46 -1.26 -4.87 115.29 108.35 1tot s HIS 40 Ca 0.27 -0.03 0.23 0.00 0.47 0.00 0.00 55.06 56.01 1tot s HIS 40 Cb -0.15 -4.10 0.51 0.00 -0.13 0.00 0.00 32.58 28.71 1tot s HIS 40 CO 0.94 -4.70 1.46 2.41 -2.47 0.00 0.00 174.74 172.37 1tot n THR 41 N 6.17 0.69 -2.30 0.89 -1.04 -1.26 -5.02 114.28 112.40 1tot n THR 41 Ca 0.22 -0.84 -0.26 0.00 -2.04 0.00 0.00 64.05 61.13 1tot n THR 41 Cb 0.43 0.81 0.13 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 -1.31 1.81 -0.66 -1.42 3.76 -1.26 -4.95 115.29 111.26 1tot s HIS 42 Ca 0.43 0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 55.12 1tot s HIS 42 Cb 0.24 -3.41 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 1tot s HIS 42 CO 0.33 -1.98 1.96 0.21 -0.85 0.00 0.00 174.74 174.41 1tot s LYS 43 N -5.41 2.52 0.56 1.40 2.36 -1.26 -4.93 119.74 114.98 1tot s LYS 43 Ca 0.68 0.53 0.06 0.00 -2.55 0.00 0.00 55.97 54.69 1tot s LYS 43 Cb -0.06 -4.55 0.06 0.00 -1.05 0.00 0.00 37.83 32.23 1tot s LYS 43 CO 0.47 -2.97 0.49 -1.64 1.55 0.00 0.00 175.35 173.26 1tot s MET 44 N 7.24 2.24 0.26 4.03 -1.94 -1.26 -0.83 119.30 129.03 1tot s MET 44 Ca 0.72 -1.98 0.01 0.00 -1.71 0.00 0.00 55.69 52.73 1tot s MET 44 Cb -0.12 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1tot s MET 44 CO 0.17 -0.72 0.12 0.14 -0.01 0.00 0.00 175.02 174.73 1tot s VAL 45 N -2.78 0.36 -0.08 -6.03 -7.23 0.63 -4.81 120.40 100.45 1tot s VAL 45 Ca 0.39 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.49 1tot s VAL 45 Cb -0.03 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1tot s VAL 45 CO 0.24 0.00 0.22 -0.75 -0.31 0.00 0.00 175.10 174.50 1tot s LYS 46 N -4.00 0.24 0.25 4.82 2.36 -1.26 -0.35 119.74 121.80 1tot s LYS 46 Ca 0.38 0.33 -0.12 0.00 -2.55 0.00 0.00 55.97 54.01 1tot s LYS 46 Cb 0.07 0.08 -0.00 0.00 -1.05 0.00 0.00 37.83 36.92 1tot s LYS 46 CO 0.14 -0.05 0.47 -1.58 1.55 0.00 0.00 175.35 175.88 1tot s TRP 47 N 0.30 0.44 0.00 4.03 0.52 -0.55 -5.01 118.94 118.68 1tot s TRP 47 Ca -0.02 -0.80 0.00 0.00 0.02 0.00 0.00 56.10 55.31 1tot s TRP 47 Cb -0.03 0.15 0.00 0.00 -1.15 0.00 0.00 33.47 32.44 1tot s TRP 47 CO -0.01 -1.00 0.00 0.41 0.02 0.00 0.00 176.95 176.37 1tot n GLY 48 N -0.39 0.21 3.18 0.98 0.00 -1.26 -0.24 105.19 107.67 1tot n GLY 48 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1tot n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tot n LEU 49 N 0.00 0.14 0.00 0.99 4.77 -1.26 -4.60 117.00 117.04 1tot n LEU 49 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1tot n LEU 49 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1tot n LEU 49 CO 0.00 -0.07 -0.46 0.61 -1.33 0.00 0.00 177.39 176.15 1tot n GLY 50 N -2.00 0.00 2.03 -0.72 0.00 -1.26 -4.75 105.19 98.49 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 -0.10 0.00 0.00 0.00 173.32 173.22 1tot n LEU 51 N -1.47 0.57 0.00 0.99 7.94 -1.26 -5.06 117.00 118.70 1tot n LEU 51 Ca 0.00 -2.50 0.16 0.00 -1.11 0.00 0.00 56.01 52.55 1tot n LEU 51 Cb 0.10 0.17 0.93 0.00 0.53 0.00 0.00 43.42 45.15 1tot n LEU 51 CO 0.00 0.99 1.09 -0.67 -1.11 0.00 0.00 177.39 177.69