#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdu s SER 3 N 0.00 6.80 0.44 -3.46 0.15 -1.26 -4.88 113.70 111.49 3bdu s SER 3 Ca 0.00 1.57 -0.02 0.00 0.70 0.00 0.00 55.95 58.20 3bdu s SER 3 Cb 0.00 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 3bdu s SER 3 CO 0.00 -0.41 0.68 0.20 1.20 0.00 0.00 173.24 174.91 3bdu s ASN 4 N -2.50 6.09 0.12 5.45 0.01 -1.26 -3.48 114.94 119.37 3bdu s ASN 4 Ca 0.59 0.55 0.07 0.00 -0.71 0.00 0.00 52.86 53.37 3bdu s ASN 4 Cb -0.09 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 3bdu s ASN 4 CO 0.20 -0.56 -0.18 -0.31 -1.51 0.00 0.00 177.10 174.74 3bdu s TYR 5 N -2.56 1.65 -0.16 2.20 2.02 -0.22 -0.88 117.35 119.39 3bdu s TYR 5 Ca 0.46 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3bdu s TYR 5 Cb -0.10 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 3bdu s TYR 5 CO 0.40 0.21 -0.20 0.08 -1.57 0.00 0.00 175.55 174.47 3bdu s VAL 6 N -1.68 2.00 -0.19 0.71 1.01 0.62 0.47 120.40 123.34 3bdu s VAL 6 Ca 0.09 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3bdu s VAL 6 Cb -0.07 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3bdu s VAL 6 CO 0.04 0.53 0.10 -0.76 0.00 0.00 0.00 175.10 175.02 3bdu s LEU 7 N 1.09 4.04 -0.27 3.92 1.02 0.79 -0.88 118.68 128.39 3bdu s LEU 7 Ca -0.01 0.18 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 3bdu s LEU 7 Cb -0.14 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 3bdu s LEU 7 CO -0.08 0.20 0.10 -1.00 0.02 0.00 0.00 176.35 175.59 3bdu s HIS 8 N 0.25 3.12 0.44 0.29 3.76 0.03 -0.76 115.29 122.42 3bdu s HIS 8 Ca 0.06 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.49 3bdu s HIS 8 Cb -0.12 -2.27 0.00 0.00 1.11 0.00 0.00 32.58 31.30 3bdu s HIS 8 CO -0.01 -0.40 0.63 0.95 -0.85 0.00 0.00 174.74 175.06 3bdu s THR 9 N 1.61 3.71 0.38 1.30 -4.23 -0.54 -0.10 115.64 117.77 3bdu s THR 9 Ca 0.05 -0.69 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 3bdu s THR 9 Cb -0.16 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.64 3bdu s THR 9 CO 0.04 -0.21 1.97 0.78 -0.54 0.00 0.00 174.62 176.66 3bdu h ASN 10 N 0.48 0.58 -0.38 3.99 -0.26 -1.47 -1.84 115.58 116.68 3bdu h ASN 10 Ca -0.45 0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.15 3bdu h ASN 10 Cb 1.26 -0.12 -0.09 0.00 -1.06 0.00 0.00 38.32 38.32 3bdu h ASN 10 CO 0.54 0.37 0.19 -0.90 -1.06 0.00 0.00 177.43 176.57 3bdu n ASP 11 N -4.48 3.25 -0.41 5.81 3.85 -1.26 -4.87 116.55 118.43 3bdu n ASP 11 Ca 0.10 -2.61 -0.05 0.00 -0.71 0.00 0.00 54.79 51.52 3bdu n ASP 11 Cb 0.27 -0.63 -0.02 0.00 -1.35 0.00 0.00 41.12 39.39 3bdu n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdu n GLY 12 N -0.06 0.77 3.83 6.12 0.00 -0.69 -5.02 105.19 110.14 3bdu n GLY 12 Ca 0.22 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.03 4.15 -0.38 1.61 0.52 -1.26 -4.87 118.95 116.70 3bdu s ARG 13 Ca 0.00 0.77 0.02 0.00 -0.52 0.00 0.00 55.73 56.00 3bdu s ARG 13 Cb 0.00 -2.77 0.11 0.00 0.52 0.00 0.00 34.95 32.80 3bdu s ARG 13 CO 0.00 0.35 0.12 0.99 0.02 0.00 0.00 175.30 176.77 3bdu s THR 14 N -1.63 2.63 -0.22 0.02 2.01 -1.26 -1.47 115.64 115.73 3bdu s THR 14 Ca 0.45 -2.35 -0.09 0.00 0.31 0.00 0.00 61.69 60.01 3bdu s THR 14 Cb -0.15 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3bdu s THR 14 CO 0.20 -0.65 0.12 -0.63 -0.69 0.00 0.00 174.62 172.97 3bdu s ILE 15 N 0.87 5.17 -0.08 1.82 1.01 0.06 -4.90 121.20 125.16 3bdu s ILE 15 Ca 0.11 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 3bdu s ILE 15 Cb -0.21 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3bdu s ILE 15 CO -0.06 0.40 0.76 -0.69 0.00 0.00 0.00 174.94 175.34 3bdu s VAL 16 N 0.73 5.00 -0.09 2.92 1.01 -1.26 -0.15 120.40 128.55 3bdu s VAL 16 Ca 0.06 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3bdu s VAL 16 Cb -0.13 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3bdu s VAL 16 CO 0.02 0.20 -0.13 0.00 0.00 0.00 0.00 175.10 175.19 3bdu s ALA 17 N 1.06 2.68 -1.01 5.51 0.00 0.18 -3.62 121.76 126.55 3bdu s ALA 17 Ca 0.39 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 3bdu s ALA 17 Cb -0.18 -1.13 0.16 0.00 0.00 0.00 0.00 23.12 21.97 3bdu s ALA 17 CO 0.18 0.39 1.17 -1.21 0.00 0.00 0.00 175.76 176.30 3bdu s GLU 18 N -0.16 3.79 0.00 0.00 2.02 0.22 -1.06 118.70 123.51 3bdu s GLU 18 Ca -0.00 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 52.80 3bdu s GLU 18 Cb -0.13 -4.88 0.00 0.00 0.10 0.00 0.00 34.13 29.22 3bdu s GLU 18 CO 0.03 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.05 3bdu n GLY 19 N 4.71 2.85 3.68 -1.39 0.00 -1.23 -4.59 105.19 109.22 3bdu n GLY 19 Ca 0.26 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.73 4.28 0.51 1.61 2.20 -1.26 -4.43 119.74 119.93 3bdu s LYS 20 Ca 0.00 1.89 -0.21 0.00 -0.36 0.00 0.00 55.97 57.29 3bdu s LYS 20 Cb 0.00 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3bdu s LYS 20 CO 0.00 -0.60 1.21 -2.14 -0.36 0.00 0.00 175.35 173.46 3bdu s PRO 21 N 2.70 3.43 0.00 4.03 0.02 -1.26 -4.94 135.00 138.97 3bdu s PRO 21 Ca 0.62 1.86 -0.08 0.00 0.02 0.00 0.00 61.00 63.42 3bdu s PRO 21 Cb -0.29 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3bdu s PRO 21 CO 0.24 -0.85 0.16 0.15 -0.33 0.00 0.00 177.00 176.37 3bdu s LYS 22 N -2.93 0.50 0.34 5.54 1.02 -0.25 -4.92 119.74 119.03 3bdu s LYS 22 Ca 0.69 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 3bdu s LYS 22 Cb -0.31 0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 37.11 3bdu s LYS 22 CO 0.36 -0.12 1.31 0.08 -0.92 0.00 0.00 175.35 176.06 3bdu s VAL 23 N -1.36 2.70 -0.35 3.17 1.01 -1.26 0.44 120.40 124.75 3bdu s VAL 23 Ca -0.14 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 3bdu s VAL 23 Cb -0.07 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3bdu s VAL 23 CO 0.02 0.17 0.21 -0.62 0.00 0.00 0.00 175.10 174.88 3bdu s ASP 24 N -0.49 5.82 0.59 3.32 -1.08 -1.26 -4.82 116.67 118.76 3bdu s ASP 24 Ca 0.49 -0.68 0.29 0.00 -0.52 0.00 0.00 52.55 52.14 3bdu s ASP 24 Cb -0.40 -2.07 1.76 0.00 -1.46 0.00 0.00 42.92 40.76 3bdu s ASP 24 CO 0.53 -0.30 2.20 0.44 0.52 0.00 0.00 175.17 178.56 3bdu h ASP 25 N 8.45 0.00 0.87 -0.34 3.32 -1.96 0.45 116.42 127.21 3bdu h ASP 25 Ca -0.29 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 3bdu h ASP 25 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3bdu h ASP 25 CO 0.65 0.00 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.43 3bdu h GLU 26 N 0.00 0.00 0.00 3.56 5.08 -2.03 -3.35 114.58 117.84 3bdu h GLU 26 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3bdu h GLU 26 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3bdu h GLU 26 CO -0.00 0.41 -1.15 0.25 -1.00 0.00 0.00 179.01 177.52 3bdu n THR 27 N -3.54 0.08 -1.79 1.13 -2.24 -0.70 -5.27 114.28 101.96 3bdu n THR 27 Ca -0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3bdu n THR 27 Cb 0.54 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 2.55 0.57 3.25 3.38 0.00 0.15 -5.03 105.19 110.06 3bdu n GLY 28 Ca -0.02 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.73 3.06 -0.00 -0.61 -1.09 0.23 -4.64 121.20 115.42 3bdu s ILE 30 Ca 0.00 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 57.57 3bdu s ILE 30 Cb 0.00 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 3bdu s ILE 30 CO 0.00 0.34 0.31 -0.55 -1.23 0.00 0.00 174.94 173.81 3bdu s SER 31 N 1.40 6.59 0.17 3.58 0.15 0.17 -1.02 113.70 124.74 3bdu s SER 31 Ca 0.04 0.70 -0.24 0.00 0.70 0.00 0.00 55.95 57.15 3bdu s SER 31 Cb -0.15 -2.15 0.06 0.00 -1.71 0.00 0.00 66.02 62.07 3bdu s SER 31 CO -0.05 0.28 0.89 -0.72 1.20 0.00 0.00 173.24 174.85 3bdu s TYR 32 N -1.21 -0.17 -0.13 3.44 1.13 -0.30 -1.09 117.35 119.03 3bdu s TYR 32 Ca 0.25 -0.16 0.02 0.00 -1.41 0.00 0.00 57.07 55.77 3bdu s TYR 32 Cb -0.14 0.65 -0.00 0.00 -1.10 0.00 0.00 41.96 41.36 3bdu s TYR 32 CO 0.14 -0.90 -0.19 0.99 -2.51 0.00 0.00 175.55 173.08 3bdu s THR 33 N -3.43 2.49 0.96 -3.49 2.01 -1.26 0.30 115.64 113.22 3bdu s THR 33 Ca 0.11 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 3bdu s THR 33 Cb -0.02 -2.01 0.22 0.00 0.01 0.00 0.00 72.50 70.69 3bdu s THR 33 CO 0.02 0.54 1.31 1.51 -0.69 0.00 0.00 174.62 177.31 3bdu s ASP 34 N 0.50 3.00 0.44 3.53 1.47 -0.58 -0.61 116.67 124.42 3bdu s ASP 34 Ca -0.12 0.07 0.30 0.00 1.18 0.00 0.00 52.55 53.98 3bdu s ASP 34 Cb -0.17 -0.06 1.58 0.00 -0.34 0.00 0.00 42.92 43.93 3bdu s ASP 34 CO 0.05 -2.79 1.91 0.00 0.68 0.00 0.00 175.17 175.01 3bdu h ALA 35 N -1.62 1.00 -0.72 2.11 0.00 -1.91 -0.80 119.26 117.34 3bdu h ALA 35 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3bdu h ALA 35 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bdu h ALA 35 CO 0.33 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.24 3bdu n TYR 36 N -2.55 0.99 -0.97 0.00 4.01 -1.26 -4.93 117.16 112.45 3bdu n TYR 36 Ca -0.02 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 3bdu n TYR 36 Cb 0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.61 0.80 3.72 2.72 0.00 -0.30 -5.01 105.19 108.73 3bdu n GLY 37 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.11 4.55 -0.12 1.61 0.74 -1.26 -4.79 119.66 120.28 3bdu s GLN 38 Ca 0.00 1.22 -0.29 0.00 0.05 0.00 0.00 55.36 56.33 3bdu s GLN 38 Cb 0.00 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 3bdu s GLN 38 CO 0.00 0.12 1.27 -0.65 -0.55 0.00 0.00 175.29 175.49 3bdu s GLN 39 N 0.46 4.26 0.25 1.67 -0.21 -1.26 -1.53 119.66 123.30 3bdu s GLN 39 Ca 0.44 1.71 0.11 0.00 0.02 0.00 0.00 55.36 57.64 3bdu s GLN 39 Cb -0.21 -3.71 -0.05 0.00 1.00 0.00 0.00 33.01 30.04 3bdu s GLN 39 CO 0.25 -0.64 -0.18 -0.65 -2.12 0.00 0.00 175.29 171.95 3bdu s GLN 40 N 3.12 1.56 -0.04 2.91 -1.52 0.15 -4.99 119.66 120.85 3bdu s GLN 40 Ca 0.56 -1.70 -0.04 0.00 -1.95 0.00 0.00 55.36 52.24 3bdu s GLN 40 Cb -0.24 -1.56 0.01 0.00 -0.22 0.00 0.00 33.01 31.00 3bdu s GLN 40 CO 0.18 0.29 0.11 -0.65 -0.25 0.00 0.00 175.29 174.97 3bdu s GLN 41 N -3.51 0.15 -0.01 2.91 -0.21 -1.26 -1.15 119.66 116.58 3bdu s GLN 41 Ca 0.27 0.12 -0.01 0.00 0.02 0.00 0.00 55.36 55.76 3bdu s GLN 41 Cb -0.04 0.07 0.01 0.00 1.00 0.00 0.00 33.01 34.05 3bdu s GLN 41 CO 0.12 -0.02 0.03 -1.50 -2.12 0.00 0.00 175.29 171.80 3bdu s ILE 42 N -0.02 -0.01 0.16 1.08 2.07 -0.19 -4.94 121.20 119.34 3bdu s ILE 42 Ca -0.01 0.05 -0.34 0.00 -1.41 0.00 0.00 60.65 58.95 3bdu s ILE 42 Cb -0.01 -0.05 -0.14 0.00 0.13 0.00 0.00 42.46 42.39 3bdu s ILE 42 CO 0.00 0.02 1.58 -3.20 -1.91 0.00 0.00 174.94 171.44 3bdu n ASN 43 N 3.34 3.14 -0.29 4.50 2.85 -1.26 -0.60 115.26 126.94 3bdu n ASN 43 Ca -0.16 1.08 0.12 0.00 -0.11 0.00 0.00 54.58 55.51 3bdu n ASN 43 Cb 0.58 -1.43 0.37 0.00 1.24 0.00 0.00 39.78 40.53 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 5.97 0.69 0.00 1.20 3.08 -1.95 0.12 114.38 123.49 3bdu h ARG 44 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3bdu h ARG 44 Cb 1.25 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3bdu h ARG 44 CO 0.89 0.46 0.00 -0.44 -1.07 0.00 0.00 179.97 179.81 3bdu h ASP 45 N 0.71 0.00 -0.09 7.04 3.32 -1.97 -2.03 116.42 123.41 3bdu h ASP 45 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3bdu h ASP 45 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3bdu h ASP 45 CO -0.23 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.88 3bdu n ASN 46 N -2.70 2.49 -4.46 6.45 3.02 0.41 -4.85 115.26 115.62 3bdu n ASN 46 Ca -0.01 -1.82 -0.36 0.00 -0.03 0.00 0.00 54.58 52.36 3bdu n ASN 46 Cb 0.12 -0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 3bdu n ASN 46 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bdu s VAL 47 N -1.92 4.28 -0.18 2.41 1.01 -0.77 -1.12 120.40 124.12 3bdu s VAL 47 Ca 0.33 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 3bdu s VAL 47 Cb 0.20 -2.98 -0.22 0.00 0.00 0.00 0.00 36.38 33.38 3bdu s VAL 47 CO 0.31 0.37 0.45 0.11 0.00 0.00 0.00 175.10 176.34 3bdu h LYS 48 N 7.95 0.01 0.00 2.72 1.57 -0.78 -3.47 116.57 124.57 3bdu h LYS 48 Ca -0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3bdu h LYS 48 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3bdu h LYS 48 CO 0.59 1.01 0.00 0.39 -0.57 0.00 0.00 179.45 180.87 3bdu n GLU 49 N -4.48 0.00 -3.64 3.15 1.02 -1.08 -5.02 120.64 110.59 3bdu n GLU 49 Ca -0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.85 3bdu n GLU 49 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.96 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 -1.50 -2.10 -0.19 0.62 0.00 -0.06 -0.79 121.76 117.74 3bdu s ALA 51 Ca 0.00 1.76 -0.19 0.00 0.00 0.00 0.00 51.96 53.54 3bdu s ALA 51 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3bdu s ALA 51 CO 0.00 -0.17 0.53 0.21 0.00 0.00 0.00 175.76 176.32 3bdu s LYS 52 N -0.01 4.21 0.00 0.00 2.20 -1.26 -0.28 119.74 124.60 3bdu s LYS 52 Ca 0.05 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 3bdu s LYS 52 Cb -0.05 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3bdu s LYS 52 CO -0.11 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.17