#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 0.00 1.61 -2.07 -1.26 -2.67 119.66 116.05 1tot s GLN 2 Ca 0.00 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1tot s GLN 2 Cb 0.00 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 1tot s GLN 2 CO 0.00 -0.23 0.00 -3.47 -1.32 0.00 0.00 175.29 170.27 1tot n ASP 3 N 0.09 0.09 -0.04 12.60 2.03 0.82 -4.92 116.55 127.22 1tot n ASP 3 Ca -0.16 -0.97 -0.03 0.00 0.52 0.00 0.00 54.79 54.15 1tot n ASP 3 Cb 0.62 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.22 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 0.63 0.00 -0.67 3.08 -2.02 -3.37 114.38 112.02 1tot h ARG 4 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1tot h ARG 4 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1tot h ARG 4 CO 0.00 0.72 -0.03 1.97 -1.07 0.00 0.00 179.97 181.55 1tot n PHE 5 N -4.19 0.00 -4.25 3.04 1.16 -1.26 -5.11 117.46 106.84 1tot n PHE 5 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.40 1tot n PHE 5 Cb 0.33 0.12 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 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 1.43 0.00 1.97 1.01 -1.26 -4.60 120.40 118.94 1tot s VAL 6 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1tot s VAL 6 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1tot s VAL 6 CO 0.00 -0.34 0.00 -1.22 0.00 0.00 0.00 175.10 173.54 1tot n TYR 7 N 0.63 -0.92 -4.11 5.22 4.01 0.16 -0.13 117.16 122.01 1tot n TYR 7 Ca -0.16 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.45 1tot n TYR 7 Cb 0.56 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.94 0.65 -0.37 -0.72 -4.23 -1.09 -0.92 115.64 106.03 1tot s THR 8 Ca 0.00 -1.42 -0.20 0.00 -1.18 0.00 0.00 61.69 58.89 1tot s THR 8 Cb 0.00 -1.05 0.01 0.00 1.34 0.00 0.00 72.50 72.80 1tot s THR 8 CO 0.00 -0.55 0.63 0.00 -0.54 0.00 0.00 174.62 174.16 1tot n ASN 10 N 6.08 0.00 -0.10 0.00 5.15 -0.07 0.06 115.26 126.38 1tot n ASN 10 Ca -0.01 -0.42 -0.12 0.00 -0.60 0.00 0.00 54.58 53.43 1tot n ASN 10 Cb 0.48 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.58 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 -0.96 0.68 0.12 1.20 -0.58 -1.24 -4.41 120.64 115.45 1tot n GLU 11 Ca 0.08 0.04 0.06 0.00 -0.42 0.00 0.00 57.16 56.93 1tot n GLU 11 Cb 0.04 -1.54 0.02 0.00 -0.57 0.00 0.00 31.44 29.39 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 -2.97 -1.53 -4.30 0.00 4.01 0.11 -4.97 118.16 108.51 1tot n LYS 13 Ca -0.01 1.12 -0.24 0.00 -0.51 0.00 0.00 58.31 58.67 1tot n LYS 13 Cb 0.67 -5.52 -0.08 0.00 -0.51 0.00 0.00 35.03 29.59 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 -2.50 2.58 0.47 2.13 2.46 -1.25 -4.94 115.29 114.24 1tot s HIS 14 Ca 0.00 -0.39 -0.22 0.00 0.47 0.00 0.00 55.06 54.92 1tot s HIS 14 Cb 0.00 -1.45 -0.08 0.00 -0.13 0.00 0.00 32.58 30.92 1tot s HIS 14 CO 0.00 0.49 1.11 -1.58 -2.47 0.00 0.00 174.74 172.28 1tot s HIS 15 N -2.48 2.95 0.17 3.88 5.65 -1.26 -1.14 115.29 123.07 1tot s HIS 15 Ca 0.35 1.57 -0.04 0.00 0.25 0.00 0.00 55.06 57.19 1tot s HIS 15 Cb -0.02 -3.25 -0.03 0.00 -1.18 0.00 0.00 32.58 28.10 1tot s HIS 15 CO 0.20 -1.20 0.16 0.14 -0.65 0.00 0.00 174.74 173.39 1tot s VAL 16 N -1.69 0.05 -0.04 0.89 -7.23 -0.09 -4.75 120.40 107.53 1tot s VAL 16 Ca 0.65 -1.80 0.10 0.00 -1.81 0.00 0.00 61.98 59.11 1tot s VAL 16 Cb -0.24 -2.19 -0.15 0.00 0.56 0.00 0.00 36.38 34.35 1tot s VAL 16 CO 0.29 -0.22 0.18 -1.84 -0.31 0.00 0.00 175.10 173.20 1tot n GLU 17 N -0.21 0.88 -4.15 4.82 -0.00 -1.26 -0.66 120.64 120.05 1tot n GLU 17 Ca -0.03 -0.07 -0.19 0.00 -0.00 0.00 0.00 57.16 56.88 1tot n GLU 17 Cb 0.64 -1.25 -0.16 0.00 -0.00 0.00 0.00 31.44 30.67 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 0.47 0.23 3.84 2.01 -1.26 -3.03 115.64 115.29 1tot s THR 18 Ca -0.04 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 1tot s THR 18 Cb 0.06 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1tot s THR 18 CO 0.43 0.19 0.52 0.00 -0.69 0.00 0.00 174.62 175.07 1tot s ARG 19 N 0.61 1.49 -0.01 4.92 1.70 0.47 -4.38 118.95 123.76 1tot s ARG 19 Ca -0.08 -1.06 -0.02 0.00 -0.47 0.00 0.00 55.73 54.10 1tot s ARG 19 Cb -0.11 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1tot s ARG 19 CO -0.00 -0.63 0.17 -1.58 -1.08 0.00 0.00 175.30 172.17 1tot s TRP 20 N -3.94 3.51 -0.04 5.89 0.52 0.68 -1.37 118.94 124.17 1tot s TRP 20 Ca 0.15 0.33 -0.01 0.00 0.02 0.00 0.00 56.10 56.59 1tot s TRP 20 Cb -0.01 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1tot s TRP 20 CO 0.04 0.63 0.03 -1.58 0.02 0.00 0.00 176.95 176.09 1tot s HIS 21 N -1.30 0.25 -0.14 -1.98 5.65 0.05 -0.60 115.29 117.22 1tot s HIS 21 Ca 0.27 0.10 -0.29 0.00 0.25 0.00 0.00 55.06 55.39 1tot s HIS 21 Cb -0.13 -0.53 -0.04 0.00 -1.18 0.00 0.00 32.58 30.71 1tot s HIS 21 CO 0.18 -0.21 1.57 0.00 -0.65 0.00 0.00 174.74 175.63 1tot n THR 23 N 5.83 1.88 -0.10 0.00 -2.24 -0.68 -3.96 114.28 115.01 1tot n THR 23 Ca 0.17 -1.18 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 1tot n THR 23 Cb 0.44 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.10 1.50 -1.98 2.28 3.14 -1.24 -5.01 118.33 118.12 1tot n VAL 24 Ca 0.26 0.05 -0.29 0.00 -2.96 0.00 0.00 64.34 61.40 1tot n VAL 24 Cb 0.91 -2.27 0.18 0.00 -1.06 0.00 0.00 33.84 31.60 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 -5.82 3.63 -1.31 0.00 2.12 -1.26 -4.46 118.70 111.60 1tot s GLU 26 Ca 0.73 -1.41 -0.14 0.00 0.36 0.00 0.00 54.97 54.51 1tot s GLU 26 Cb -0.04 -5.23 0.13 0.00 0.26 0.00 0.00 34.13 29.25 1tot s GLU 26 CO 0.52 -2.07 0.48 -3.47 -0.54 0.00 0.00 175.26 170.18 1tot n ASP 27 N 8.06 -2.45 -4.77 -1.70 2.03 -1.26 -4.88 116.55 111.57 1tot n ASP 27 Ca 0.31 -0.62 -0.38 0.00 0.52 0.00 0.00 54.79 54.63 1tot n ASP 27 Cb 0.50 -2.09 -0.04 0.00 -0.72 0.00 0.00 41.12 38.77 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 -2.91 3.31 0.16 -0.67 6.14 -1.25 -0.99 117.35 121.12 1tot s TYR 28 Ca 0.53 1.64 0.05 0.00 0.64 0.00 0.00 57.07 59.93 1tot s TYR 28 Cb -0.30 -3.23 -0.04 0.00 0.42 0.00 0.00 41.96 38.81 1tot s TYR 28 CO 0.65 -0.75 -0.11 -0.51 0.64 0.00 0.00 175.55 175.47 1tot s ASP 29 N -1.29 1.94 -0.10 4.32 1.01 -1.26 -0.57 116.67 120.72 1tot s ASP 29 Ca 0.54 -1.00 -0.07 0.00 0.71 0.00 0.00 52.55 52.73 1tot s ASP 29 Cb -0.26 -0.03 0.03 0.00 1.01 0.00 0.00 42.92 43.66 1tot s ASP 29 CO 0.33 -0.29 0.24 -0.76 0.21 0.00 0.00 175.17 174.90 1tot s LEU 30 N -3.16 0.80 1.08 1.23 1.43 0.23 -0.89 118.68 119.40 1tot s LEU 30 Ca 0.17 0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 53.64 1tot s LEU 30 Cb 0.02 0.78 0.24 0.00 0.03 0.00 0.00 46.19 47.25 1tot s LEU 30 CO 0.02 -0.12 1.06 0.00 0.23 0.00 0.00 176.35 177.54 1tot h ILE 32 N -2.24 0.74 -0.47 0.00 1.08 -1.94 0.40 117.51 115.07 1tot h ILE 32 Ca -0.58 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 1tot h ILE 32 Cb 1.34 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 1tot h ILE 32 CO 0.55 0.04 0.10 -1.13 -0.69 0.00 0.00 178.15 177.01 1tot h ASN 33 N 0.20 0.73 -0.36 1.72 -1.24 -1.96 -0.40 115.58 114.27 1tot h ASN 33 Ca 0.22 -0.25 -0.10 0.00 0.71 0.00 0.00 56.30 56.89 1tot h ASN 33 Cb 0.29 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1tot h ASN 33 CO -0.30 0.79 -0.15 0.00 -1.29 0.00 0.00 177.43 176.48 1tot h TYR 35 N 0.52 0.16 0.00 0.00 3.20 -0.76 0.30 116.97 120.40 1tot h TYR 35 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1tot h TYR 35 Cb 0.69 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1tot h TYR 35 CO 0.06 0.05 0.00 0.09 -1.64 0.00 0.00 178.16 176.72 1tot n ASN 36 N -5.05 0.00 0.03 -2.11 4.13 -0.17 -2.07 115.26 110.01 1tot n ASN 36 Ca 0.01 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1tot n ASN 36 Cb 0.13 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 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 -1.34 0.25 0.23 3.41 -2.24 -0.74 -4.78 114.28 109.07 1tot n THR 37 Ca 0.03 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1tot n THR 37 Cb 0.05 -1.09 0.67 0.00 -2.10 0.00 0.00 70.33 67.86 1tot n THR 37 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1tot h LYS 38 N 0.00 0.00 -6.77 -0.78 1.79 -0.54 -3.46 116.57 106.81 1tot h LYS 38 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1tot h LYS 38 Cb 0.37 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 30.81 1tot h LYS 38 CO 0.00 0.00 -0.84 0.43 -1.08 0.00 0.00 179.45 177.96 1tot n SER 39 N -2.40 -2.97 -3.50 0.86 7.64 -0.88 -4.82 113.62 107.54 1tot n SER 39 Ca -0.01 -1.03 -0.37 0.00 1.01 0.00 0.00 58.87 58.47 1tot n SER 39 Cb 0.08 -2.69 -0.03 0.00 -1.01 0.00 0.00 64.21 60.57 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 -4.37 2.24 0.34 1.43 -0.00 -1.26 -4.81 115.22 108.79 1tot n HIS 40 Ca 0.05 -2.30 0.00 0.00 0.46 0.00 0.00 57.72 55.93 1tot n HIS 40 Cb 0.50 -2.01 0.00 0.00 -0.12 0.00 0.00 29.99 28.36 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 5.05 0.19 -1.55 3.57 -1.04 -1.26 -4.89 114.28 114.35 1tot n THR 41 Ca 0.53 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.25 1tot n THR 41 Cb 0.31 -0.45 0.15 0.00 -1.82 0.00 0.00 70.33 68.53 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 -0.06 2.13 -0.41 -1.42 3.76 -1.26 -4.91 115.29 113.12 1tot s HIS 42 Ca 0.00 0.72 -0.28 0.00 -0.15 0.00 0.00 55.06 55.35 1tot s HIS 42 Cb 0.00 -3.51 -0.01 0.00 1.11 0.00 0.00 32.58 30.16 1tot s HIS 42 CO 0.00 -2.58 1.75 0.21 -0.85 0.00 0.00 174.74 173.26 1tot s LYS 43 N -5.40 3.21 0.50 1.40 2.36 -1.26 -4.93 119.74 115.62 1tot s LYS 43 Ca 0.66 1.15 0.04 0.00 -2.55 0.00 0.00 55.97 55.27 1tot s LYS 43 Cb -0.12 -4.21 0.04 0.00 -1.05 0.00 0.00 37.83 32.48 1tot s LYS 43 CO 0.53 -2.01 0.33 -1.33 1.55 0.00 0.00 175.35 174.42 1tot n MET 44 N 8.55 0.75 -4.38 4.03 2.81 -1.26 -1.69 117.12 125.94 1tot n MET 44 Ca 0.21 -3.22 -0.19 0.00 -1.81 0.00 0.00 57.70 52.69 1tot n MET 44 Cb 0.48 0.42 -0.10 0.00 -0.71 0.00 0.00 33.22 33.31 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 -2.55 0.87 -0.01 2.03 -7.23 0.16 -4.82 120.40 108.86 1tot s VAL 45 Ca 0.25 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1tot s VAL 45 Cb -0.02 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1tot s VAL 45 CO 0.16 -0.02 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.15 1tot s LYS 46 N -3.96 0.29 -0.06 4.82 2.36 -1.26 -0.77 119.74 121.16 1tot s LYS 46 Ca 0.37 -0.08 0.01 0.00 -2.55 0.00 0.00 55.97 53.71 1tot s LYS 46 Cb 0.08 -0.32 0.02 0.00 -1.05 0.00 0.00 37.83 36.57 1tot s LYS 46 CO 0.14 0.03 -0.06 -1.58 1.55 0.00 0.00 175.35 175.43 1tot s TRP 47 N 0.15 0.98 0.02 4.03 0.52 -0.47 -5.01 118.94 119.16 1tot s TRP 47 Ca -0.01 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.78 1tot s TRP 47 Cb -0.04 -0.83 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1tot s TRP 47 CO -0.00 -0.26 -0.03 0.20 0.02 0.00 0.00 176.95 176.88 1tot s GLY 48 N 1.04 0.23 0.00 0.98 0.00 -1.26 -0.39 107.32 107.91 1tot s GLY 48 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1tot s GLY 48 CO -0.00 -0.52 0.00 -0.10 0.00 0.00 0.00 173.10 172.47 1tot n LEU 49 N 1.95 0.00 0.00 0.66 -0.00 -1.17 -4.96 117.00 113.48 1tot n LEU 49 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1tot n LEU 49 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1tot n LEU 49 CO 0.22 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 1tot n GLY 50 N 0.00 0.05 2.57 -3.96 0.00 -1.26 -4.98 105.19 97.62 1tot n GLY 50 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.75 3.08 0.00 0.99 4.77 -1.26 -5.09 117.00 117.74 1tot n LEU 51 Ca 0.00 -4.81 0.00 0.00 -0.03 0.00 0.00 56.01 51.17 1tot n LEU 51 Cb 0.00 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1tot n LEU 51 CO 0.00 2.06 0.19 -0.67 -1.33 0.00 0.00 177.39 177.65