#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdu n SER 3 N 0.00 3.24 -4.91 4.04 3.41 -1.26 -4.63 113.62 113.51 3bdu n SER 3 Ca 0.00 1.07 -0.28 0.00 -0.26 0.00 0.00 58.87 59.41 3bdu n SER 3 Cb 0.00 -1.45 -0.02 0.00 -0.26 0.00 0.00 64.21 62.48 3bdu n SER 3 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3bdu s ASN 4 N 1.12 6.40 0.12 4.04 0.01 -1.26 -1.49 114.94 123.88 3bdu s ASN 4 Ca 0.79 0.75 0.04 0.00 -0.71 0.00 0.00 52.86 53.73 3bdu s ASN 4 Cb -0.65 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 38.81 3bdu s ASN 4 CO 0.38 -0.29 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.26 3bdu s TYR 5 N -2.25 1.21 -0.17 2.20 2.02 0.28 -0.49 117.35 120.15 3bdu s TYR 5 Ca 0.45 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3bdu s TYR 5 Cb -0.10 -0.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3bdu s TYR 5 CO 0.33 0.06 -0.15 0.08 -1.57 0.00 0.00 175.55 174.30 3bdu s VAL 6 N -2.68 1.76 -0.13 0.71 1.01 0.54 0.13 120.40 121.73 3bdu s VAL 6 Ca 0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3bdu s VAL 6 Cb -0.01 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3bdu s VAL 6 CO 0.01 0.42 0.27 -0.76 0.00 0.00 0.00 175.10 175.04 3bdu s LEU 7 N 1.40 4.30 -0.23 3.92 1.02 0.98 -1.08 118.68 128.99 3bdu s LEU 7 Ca 0.04 0.54 -0.06 0.00 0.02 0.00 0.00 54.13 54.66 3bdu s LEU 7 Cb -0.14 -2.32 -0.02 0.00 0.02 0.00 0.00 46.19 43.73 3bdu s LEU 7 CO -0.11 0.19 0.02 -1.00 0.02 0.00 0.00 176.35 175.48 3bdu s HIS 8 N -0.02 3.04 0.50 0.29 3.76 -0.15 -0.41 115.29 122.30 3bdu s HIS 8 Ca 0.16 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3bdu s HIS 8 Cb -0.13 -2.17 -0.01 0.00 1.11 0.00 0.00 32.58 31.38 3bdu s HIS 8 CO 0.05 -0.40 0.76 0.95 -0.85 0.00 0.00 174.74 175.25 3bdu s THR 9 N 1.47 4.07 -2.00 1.30 -4.23 -0.42 -0.75 115.64 115.07 3bdu s THR 9 Ca 0.05 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 3bdu s THR 9 Cb -0.15 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.34 3bdu s THR 9 CO 0.01 -0.47 1.19 0.59 -0.54 0.00 0.00 174.62 175.40 3bdu n ASN 10 N -2.27 0.00 -0.52 3.99 3.02 -0.42 -2.91 115.26 116.16 3bdu n ASN 10 Ca 0.02 -1.64 0.07 0.00 -0.03 0.00 0.00 54.58 53.00 3bdu n ASN 10 Cb 0.57 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.94 3bdu n ASN 10 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3bdu n ASP 11 N -0.61 1.81 -1.31 6.41 5.68 -1.26 -4.99 116.55 122.27 3bdu n ASP 11 Ca 0.05 -3.78 -0.11 0.00 -0.50 0.00 0.00 54.79 50.45 3bdu n ASP 11 Cb 0.02 -0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 39.48 3bdu n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bdu n GLY 12 N -1.17 -0.09 3.56 6.12 0.00 -1.14 -5.04 105.19 107.42 3bdu n GLY 12 Ca 0.19 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3bdu n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdu s ARG 13 N -4.60 2.00 -0.08 1.61 0.52 -1.26 -4.97 118.95 112.17 3bdu s ARG 13 Ca 0.01 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 53.88 3bdu s ARG 13 Cb -0.00 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.38 3bdu s ARG 13 CO 0.01 0.41 -0.15 0.95 0.02 0.00 0.00 175.30 176.55 3bdu s THR 14 N -1.85 1.38 -0.07 0.02 -4.23 -1.26 -1.30 115.64 108.32 3bdu s THR 14 Ca 0.26 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 3bdu s THR 14 Cb -0.08 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3bdu s THR 14 CO 0.15 0.41 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.81 3bdu s ILE 15 N 0.72 1.76 -0.08 2.99 1.01 0.45 -4.94 121.20 123.12 3bdu s ILE 15 Ca -0.13 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.44 3bdu s ILE 15 Cb -0.16 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3bdu s ILE 15 CO 0.03 0.49 0.62 -0.69 0.00 0.00 0.00 174.94 175.39 3bdu s VAL 16 N 0.25 5.08 0.01 2.92 1.01 -1.26 -0.01 120.40 128.40 3bdu s VAL 16 Ca -0.12 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.21 3bdu s VAL 16 Cb -0.16 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3bdu s VAL 16 CO 0.06 0.29 -0.26 0.00 0.00 0.00 0.00 175.10 175.19 3bdu s ALA 17 N 0.63 2.22 -0.52 5.51 0.00 0.12 -3.33 121.76 126.39 3bdu s ALA 17 Ca 0.33 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 3bdu s ALA 17 Cb -0.17 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.52 3bdu s ALA 17 CO 0.15 0.53 0.52 -1.21 0.00 0.00 0.00 175.76 175.76 3bdu s GLU 18 N -0.92 3.01 0.00 0.00 2.02 0.51 -0.55 118.70 122.77 3bdu s GLU 18 Ca 0.11 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.69 3bdu s GLU 18 Cb -0.10 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 29.92 3bdu s GLU 18 CO 0.01 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.45 3bdu n GLY 19 N 5.23 2.13 3.68 -1.39 0.00 -0.56 -4.39 105.19 109.89 3bdu n GLY 19 Ca -0.12 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3bdu n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdu s LYS 20 N -3.46 4.23 0.45 1.61 2.20 -1.26 -4.56 119.74 118.95 3bdu s LYS 20 Ca 0.00 2.10 -0.24 0.00 -0.36 0.00 0.00 55.97 57.47 3bdu s LYS 20 Cb 0.00 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 3bdu s LYS 20 CO 0.00 -0.70 1.29 -2.14 -0.36 0.00 0.00 175.35 173.44 3bdu s PRO 21 N 3.00 3.72 0.04 4.03 0.02 -1.26 -4.94 135.00 139.62 3bdu s PRO 21 Ca 0.69 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.77 3bdu s PRO 21 Cb -0.33 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.60 3bdu s PRO 21 CO 0.28 -0.68 0.05 0.15 -0.33 0.00 0.00 177.00 176.48 3bdu s LYS 22 N -2.50 0.57 0.19 5.54 1.02 -0.58 -4.93 119.74 119.06 3bdu s LYS 22 Ca 0.62 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 3bdu s LYS 22 Cb -0.37 0.22 -0.09 0.00 -0.52 0.00 0.00 37.83 37.07 3bdu s LYS 22 CO 0.46 -0.13 1.32 0.08 -0.92 0.00 0.00 175.35 176.16 3bdu s VAL 23 N -2.87 3.19 -0.39 3.17 1.01 -1.26 0.24 120.40 123.50 3bdu s VAL 23 Ca -0.03 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 62.76 3bdu s VAL 23 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3bdu s VAL 23 CO -0.06 0.14 0.37 -0.62 0.00 0.00 0.00 175.10 174.93 3bdu s ASP 24 N 0.41 6.16 0.59 3.32 -1.08 -1.26 -4.85 116.67 119.96 3bdu s ASP 24 Ca 0.57 -0.55 0.32 0.00 -0.52 0.00 0.00 52.55 52.38 3bdu s ASP 24 Cb -0.37 -2.20 1.88 0.00 -1.46 0.00 0.00 42.92 40.77 3bdu s ASP 24 CO 0.38 -0.45 2.24 0.44 0.52 0.00 0.00 175.17 178.30 3bdu h ASP 25 N 8.61 0.00 1.26 -0.34 5.19 -1.95 0.47 116.42 129.65 3bdu h ASP 25 Ca -0.28 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 3bdu h ASP 25 Cb 1.13 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 3bdu h ASP 25 CO 0.74 0.02 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.49 3bdu h GLU 26 N 0.00 0.00 0.00 3.56 5.08 -2.03 -3.34 114.58 117.85 3bdu h GLU 26 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bdu h GLU 26 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3bdu h GLU 26 CO 0.00 0.06 -0.83 0.25 -1.00 0.00 0.00 179.01 177.49 3bdu n THR 27 N -3.15 0.00 -1.81 1.13 -2.24 -0.72 -5.27 114.28 102.22 3bdu n THR 27 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3bdu n THR 27 Cb 0.40 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3bdu n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdu n GLY 28 N 2.29 0.68 3.29 3.38 0.00 0.16 -5.04 105.19 109.96 3bdu n GLY 28 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3bdu n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdu s ILE 30 N -2.71 2.99 -0.06 -0.61 1.01 -0.24 -4.65 121.20 116.93 3bdu s ILE 30 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3bdu s ILE 30 Cb 0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3bdu s ILE 30 CO 0.00 0.48 0.06 -0.55 0.00 0.00 0.00 174.94 174.93 3bdu s SER 31 N 1.02 5.61 0.32 3.58 0.15 0.14 -0.60 113.70 123.92 3bdu s SER 31 Ca -0.01 0.20 -0.19 0.00 0.70 0.00 0.00 55.95 56.66 3bdu s SER 31 Cb -0.15 -1.64 0.04 0.00 -1.71 0.00 0.00 66.02 62.57 3bdu s SER 31 CO -0.02 0.34 0.78 -0.72 1.20 0.00 0.00 173.24 174.82 3bdu s TYR 32 N -1.03 -0.03 -0.12 3.44 1.13 -0.17 -1.52 117.35 119.05 3bdu s TYR 32 Ca 0.17 -0.53 0.03 0.00 -1.41 0.00 0.00 57.07 55.33 3bdu s TYR 32 Cb -0.12 0.77 -0.00 0.00 -1.10 0.00 0.00 41.96 41.51 3bdu s TYR 32 CO 0.07 -1.37 -0.21 0.99 -2.51 0.00 0.00 175.55 172.52 3bdu s THR 33 N -3.03 2.25 0.90 -3.49 2.01 -1.26 -0.39 115.64 112.64 3bdu s THR 33 Ca 0.14 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 3bdu s THR 33 Cb -0.05 -1.89 0.18 0.00 0.01 0.00 0.00 72.50 70.75 3bdu s THR 33 CO 0.09 0.55 1.25 1.51 -0.69 0.00 0.00 174.62 177.32 3bdu s ASP 34 N 0.47 3.43 0.17 3.53 1.47 -0.43 -0.36 116.67 124.95 3bdu s ASP 34 Ca -0.14 0.14 0.11 0.00 1.18 0.00 0.00 52.55 53.84 3bdu s ASP 34 Cb -0.17 -0.27 0.61 0.00 -0.34 0.00 0.00 42.92 42.75 3bdu s ASP 34 CO 0.06 -2.52 1.34 0.00 0.68 0.00 0.00 175.17 174.73 3bdu n ALA 35 N -3.55 1.01 -0.30 2.11 0.00 -1.21 -1.25 120.51 117.32 3bdu n ALA 35 Ca 0.15 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.79 3bdu n ALA 35 Cb 0.60 -1.15 0.26 0.00 0.00 0.00 0.00 19.45 19.15 3bdu n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bdu n TYR 36 N -1.89 0.78 -0.99 0.00 4.01 -1.26 -4.95 117.16 112.86 3bdu n TYR 36 Ca -0.01 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 3bdu n TYR 36 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3bdu n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdu n GLY 37 N 1.18 0.64 3.76 2.72 0.00 -0.38 -5.02 105.19 108.09 3bdu n GLY 37 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3bdu n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bdu s GLN 38 N -0.08 4.32 -0.05 1.61 0.74 -1.26 -4.83 119.66 120.12 3bdu s GLN 38 Ca 0.00 0.75 -0.30 0.00 0.05 0.00 0.00 55.36 55.86 3bdu s GLN 38 Cb 0.00 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 3bdu s GLN 38 CO 0.00 0.37 1.00 -0.65 -0.55 0.00 0.00 175.29 175.46 3bdu s GLN 39 N -0.20 4.49 0.17 1.67 -0.21 -1.26 -1.31 119.66 123.00 3bdu s GLN 39 Ca 0.31 1.41 0.06 0.00 0.02 0.00 0.00 55.36 57.16 3bdu s GLN 39 Cb -0.18 -3.50 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 3bdu s GLN 39 CO 0.17 -0.19 -0.12 -0.65 -2.12 0.00 0.00 175.29 172.38 3bdu s GLN 40 N 1.52 1.16 0.01 2.91 -1.52 0.48 -4.98 119.66 119.24 3bdu s GLN 40 Ca 0.50 -1.48 0.02 0.00 -1.95 0.00 0.00 55.36 52.45 3bdu s GLN 40 Cb -0.20 -0.85 -0.01 0.00 -0.22 0.00 0.00 33.01 31.73 3bdu s GLN 40 CO 0.23 0.13 -0.05 -0.65 -0.25 0.00 0.00 175.29 174.70 3bdu s GLN 41 N -3.58 0.40 -0.01 2.91 -0.21 -1.26 -0.99 119.66 116.92 3bdu s GLN 41 Ca 0.18 -0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.22 3bdu s GLN 41 Cb 0.00 -0.31 0.01 0.00 1.00 0.00 0.00 33.01 33.71 3bdu s GLN 41 CO 0.03 0.08 0.00 -1.50 -2.12 0.00 0.00 175.29 171.78 3bdu s ILE 42 N -0.52 0.03 0.14 1.08 2.07 0.23 -4.95 121.20 119.29 3bdu s ILE 42 Ca -0.02 0.05 -0.34 0.00 -1.41 0.00 0.00 60.65 58.92 3bdu s ILE 42 Cb -0.04 -0.08 -0.14 0.00 0.13 0.00 0.00 42.46 42.32 3bdu s ILE 42 CO -0.00 0.05 1.54 -3.20 -1.91 0.00 0.00 174.94 171.42 3bdu n ASN 43 N 3.45 2.83 -0.01 4.50 2.85 -1.26 -1.08 115.26 126.54 3bdu n ASN 43 Ca -0.18 1.09 0.19 0.00 -0.11 0.00 0.00 54.58 55.57 3bdu n ASN 43 Cb 0.56 -1.38 0.67 0.00 1.24 0.00 0.00 39.78 40.87 3bdu n ASN 43 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3bdu h ARG 44 N 5.76 0.04 0.00 1.20 3.08 -1.94 0.11 114.38 122.63 3bdu h ARG 44 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3bdu h ARG 44 Cb 1.27 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3bdu h ARG 44 CO 0.87 0.03 0.00 -0.44 -1.07 0.00 0.00 179.97 179.36 3bdu h ASP 45 N 0.04 0.00 -0.62 7.04 3.32 -1.97 -2.62 116.42 121.61 3bdu h ASP 45 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3bdu h ASP 45 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3bdu h ASP 45 CO -0.01 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.31 3bdu n ASN 46 N -2.30 3.75 -4.24 6.45 4.05 0.39 -4.80 115.26 118.56 3bdu n ASN 46 Ca 0.02 -2.00 -0.37 0.00 0.45 0.00 0.00 54.58 52.69 3bdu n ASN 46 Cb 0.24 -0.41 -0.13 0.00 1.23 0.00 0.00 39.78 40.70 3bdu n ASN 46 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3bdu s VAL 47 N -1.17 3.50 -0.16 3.44 1.01 -0.99 -1.29 120.40 124.73 3bdu s VAL 47 Ca 0.46 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 3bdu s VAL 47 Cb 0.25 -2.98 -0.21 0.00 0.00 0.00 0.00 36.38 33.44 3bdu s VAL 47 CO 0.33 -0.14 0.50 0.50 0.00 0.00 0.00 175.10 176.29 3bdu h LYS 48 N 8.14 0.00 0.00 2.72 3.64 -1.21 -3.47 116.57 126.39 3bdu h LYS 48 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3bdu h LYS 48 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3bdu h LYS 48 CO 0.58 0.87 0.00 0.39 -2.27 0.00 0.00 179.45 179.02 3bdu n GLU 49 N -4.57 0.00 -3.64 1.90 1.02 -1.11 -5.02 120.64 109.22 3bdu n GLU 49 Ca -0.16 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.91 3bdu n GLU 49 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 3bdu n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bdu s ALA 51 N -1.66 -2.03 -0.33 0.62 0.00 -0.24 -0.98 121.76 117.14 3bdu s ALA 51 Ca 0.00 2.11 -0.24 0.00 0.00 0.00 0.00 51.96 53.83 3bdu s ALA 51 Cb 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.63 3bdu s ALA 51 CO 0.00 -0.31 0.81 0.21 0.00 0.00 0.00 175.76 176.46 3bdu s LYS 52 N 0.88 3.87 0.00 0.00 2.20 -1.26 -0.34 119.74 125.09 3bdu s LYS 52 Ca -0.04 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3bdu s LYS 52 Cb -0.05 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3bdu s LYS 52 CO -0.11 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 3bdu n GLY 53 N 4.34 0.94 0.48 5.54 0.00 0.36 -4.99 105.19 111.85 3bdu n GLY 53 Ca 0.04 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.27 3bdu n GLY 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90