#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 -0.45 0.57 6.43 1.04 -1.26 -5.07 113.70 114.96 3bdu s SER 3 Ca 0.00 0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 3bdu s SER 3 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3bdu s SER 3 CO 0.00 -0.55 0.92 0.20 0.98 0.00 0.00 173.24 174.79 3bdu s ASN 4 N -1.30 6.02 0.02 7.02 0.01 -1.26 -2.42 114.94 123.03 3bdu s ASN 4 Ca -0.12 1.07 0.02 0.00 -0.71 0.00 0.00 52.86 53.12 3bdu s ASN 4 Cb -0.02 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 3bdu s ASN 4 CO 0.07 -0.86 -0.07 -0.31 -1.51 0.00 0.00 177.10 174.42 3bdu s TYR 5 N -3.01 0.62 -0.13 2.20 2.02 -0.16 -0.13 117.35 118.76 3bdu s TYR 5 Ca 0.52 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 3bdu s TYR 5 Cb -0.11 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.06 3bdu s TYR 5 CO 0.49 -0.05 -0.16 0.08 -1.57 0.00 0.00 175.55 174.34 3bdu s VAL 6 N -0.88 2.76 -0.10 0.71 1.01 0.56 0.04 120.40 124.51 3bdu s VAL 6 Ca -0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3bdu s VAL 6 Cb -0.07 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3bdu s VAL 6 CO 0.00 0.53 0.02 -0.76 0.00 0.00 0.00 175.10 174.89 3bdu s LEU 7 N 0.51 3.66 -0.24 3.92 1.02 -0.18 -1.24 118.68 126.13 3bdu s LEU 7 Ca -0.10 0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 3bdu s LEU 7 Cb -0.16 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.21 3bdu s LEU 7 CO 0.04 0.36 -0.03 -1.00 0.02 0.00 0.00 176.35 175.74 3bdu s HIS 8 N -0.76 3.03 0.67 0.29 3.76 -0.15 -1.16 115.29 120.97 3bdu s HIS 8 Ca 0.12 -1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 53.75 3bdu s HIS 8 Cb -0.12 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.52 3bdu s HIS 8 CO 0.02 -0.64 0.97 0.95 -0.85 0.00 0.00 174.74 175.20 3bdu s THR 9 N 1.41 2.51 -1.56 1.30 -4.23 -0.31 0.05 115.64 114.82 3bdu s THR 9 Ca 0.03 -0.28 0.30 0.00 -1.18 0.00 0.00 61.69 60.56 3bdu s THR 9 Cb -0.16 -3.06 0.57 0.00 1.34 0.00 0.00 72.50 71.19 3bdu s THR 9 CO -0.03 -0.07 2.05 0.59 -0.54 0.00 0.00 174.62 176.62 3bdu n ASN 10 N -2.81 0.09 -2.17 3.99 4.13 -0.54 -3.55 115.26 114.40 3bdu n ASN 10 Ca 0.07 -0.36 -0.29 0.00 1.68 0.00 0.00 54.58 55.68 3bdu n ASN 10 Cb 0.60 -0.20 0.08 0.00 -1.54 0.00 0.00 39.78 38.72 3bdu n ASN 10 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3bdu n ASP 11 N -1.18 6.38 -3.69 6.41 5.68 -1.26 -4.94 116.55 123.95 3bdu n ASP 11 Ca 0.16 -3.77 -0.31 0.00 -0.50 0.00 0.00 54.79 50.37 3bdu n ASP 11 Cb 0.23 -0.79 0.04 0.00 -1.14 0.00 0.00 41.12 39.45 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 -0.90 -1.02 3.18 6.12 0.00 -1.23 -5.01 105.19 106.33 3bdu n GLY 12 Ca 0.56 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.91 3bdu n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bdu s ARG 13 N -5.88 0.48 -0.13 1.61 3.52 -1.26 -5.01 118.95 112.28 3bdu s ARG 13 Ca 0.42 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 3bdu s ARG 13 Cb -0.16 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3bdu s ARG 13 CO 0.87 -0.11 -0.16 0.95 -0.81 0.00 0.00 175.30 176.04 3bdu s THR 14 N -0.69 1.63 -0.10 4.11 -4.23 -1.26 -1.16 115.64 113.93 3bdu s THR 14 Ca -0.08 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 3bdu s THR 14 Cb -0.04 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 3bdu s THR 14 CO 0.02 0.47 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.93 3bdu s ILE 15 N 1.11 3.08 -0.06 2.99 1.10 -0.31 -4.92 121.20 124.18 3bdu s ILE 15 Ca -0.03 -0.67 -0.23 0.00 -0.51 0.00 0.00 60.65 59.20 3bdu s ILE 15 Cb -0.14 -2.26 -0.04 0.00 0.15 0.00 0.00 42.46 40.16 3bdu s ILE 15 CO -0.05 0.55 0.69 -0.69 -2.11 0.00 0.00 174.94 173.33 3bdu s VAL 16 N -0.01 5.03 -0.02 4.00 1.01 -1.26 -1.01 120.40 128.14 3bdu s VAL 16 Ca -0.03 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.45 3bdu s VAL 16 Cb -0.14 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3bdu s VAL 16 CO 0.04 0.27 -0.26 0.00 0.00 0.00 0.00 175.10 175.15 3bdu s ALA 17 N 0.69 2.18 -0.63 5.51 0.00 0.11 -3.23 121.76 126.39 3bdu s ALA 17 Ca 0.37 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 3bdu s ALA 17 Cb -0.18 -0.57 0.11 0.00 0.00 0.00 0.00 23.12 22.49 3bdu s ALA 17 CO 0.18 0.53 0.73 -1.21 0.00 0.00 0.00 175.76 175.99 3bdu s GLU 18 N -0.62 3.12 0.00 0.00 2.02 0.14 -0.99 118.70 122.37 3bdu s GLU 18 Ca 0.10 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.65 3bdu s GLU 18 Cb -0.10 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.81 3bdu s GLU 18 CO -0.01 -1.54 0.00 0.41 0.02 0.00 0.00 175.26 174.14 3bdu n GLY 19 N 5.20 2.42 3.66 -1.39 0.00 -1.02 -4.36 105.19 109.70 3bdu n GLY 19 Ca -0.06 -1.88 -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 -3.18 4.15 0.35 1.61 2.20 -1.26 -4.54 119.74 119.07 3bdu s LYS 20 Ca 0.00 2.19 -0.28 0.00 -0.36 0.00 0.00 55.97 57.52 3bdu s LYS 20 Cb 0.00 -4.00 -0.10 0.00 -1.51 0.00 0.00 37.83 32.22 3bdu s LYS 20 CO 0.00 -0.89 1.30 -2.14 -0.36 0.00 0.00 175.35 173.26 3bdu s PRO 21 N 4.12 4.27 0.03 4.03 0.02 -1.26 -4.94 135.00 141.26 3bdu s PRO 21 Ca 0.74 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.93 3bdu s PRO 21 Cb -0.33 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 3bdu s PRO 21 CO 0.30 -0.25 0.01 0.15 -0.33 0.00 0.00 177.00 176.88 3bdu s LYS 22 N -1.90 0.46 0.14 5.54 1.02 -0.32 -4.90 119.74 119.78 3bdu s LYS 22 Ca 0.51 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 55.39 3bdu s LYS 22 Cb -0.39 0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 37.00 3bdu s LYS 22 CO 0.51 -0.09 1.54 0.08 -0.92 0.00 0.00 175.35 176.47 3bdu s VAL 23 N -2.38 2.83 -0.49 3.17 1.01 -1.26 0.64 120.40 123.93 3bdu s VAL 23 Ca -0.07 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 3bdu s VAL 23 Cb -0.03 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.03 3bdu s VAL 23 CO -0.04 0.04 0.77 -0.62 0.00 0.00 0.00 175.10 175.24 3bdu s ASP 24 N 1.33 6.34 0.18 3.32 -1.08 -1.26 -4.84 116.67 120.66 3bdu s ASP 24 Ca 0.69 -0.39 0.12 0.00 -0.52 0.00 0.00 52.55 52.46 3bdu s ASP 24 Cb -0.42 -2.37 0.64 0.00 -1.46 0.00 0.00 42.92 39.32 3bdu s ASP 24 CO 0.31 -0.97 1.35 0.47 0.52 0.00 0.00 175.17 176.85 3bdu n ASP 25 N 6.71 0.31 0.08 -0.34 8.00 -1.26 -0.02 116.55 130.03 3bdu n ASP 25 Ca -0.00 0.63 -0.01 0.00 0.71 0.00 0.00 54.79 56.12 3bdu n ASP 25 Cb 0.47 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 3bdu n ASP 25 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3bdu h GLU 26 N 0.00 0.00 0.00 -1.24 5.08 -2.03 -3.37 114.58 113.02 3bdu h GLU 26 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3bdu h GLU 26 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3bdu h GLU 26 CO 0.00 0.53 -1.53 0.25 -1.00 0.00 0.00 179.01 177.26 3bdu n THR 27 N -3.14 0.38 -1.73 1.13 -2.24 -0.24 -5.27 114.28 103.17 3bdu n THR 27 Ca -0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3bdu n THR 27 Cb 0.83 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 2.28 0.76 3.30 3.38 0.00 0.97 -5.03 105.19 110.85 3bdu n GLY 28 Ca -0.10 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.65 3.31 -0.13 -0.61 1.01 0.18 -4.68 121.20 117.63 3bdu s ILE 30 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3bdu s ILE 30 Cb 0.00 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3bdu s ILE 30 CO 0.00 0.43 0.13 -0.55 0.00 0.00 0.00 174.94 174.95 3bdu s SER 31 N 1.45 6.27 0.27 3.58 0.15 0.21 -0.88 113.70 124.74 3bdu s SER 31 Ca 0.05 0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.91 3bdu s SER 31 Cb -0.14 -2.03 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 3bdu s SER 31 CO -0.04 0.37 0.68 -0.72 1.20 0.00 0.00 173.24 174.73 3bdu s TYR 32 N -0.80 -0.15 -0.18 3.44 1.13 0.04 -1.18 117.35 119.65 3bdu s TYR 32 Ca 0.14 -0.28 -0.02 0.00 -1.41 0.00 0.00 57.07 55.49 3bdu s TYR 32 Cb -0.12 0.63 -0.01 0.00 -1.10 0.00 0.00 41.96 41.36 3bdu s TYR 32 CO 0.03 -1.17 -0.08 0.99 -2.51 0.00 0.00 175.55 172.81 3bdu s THR 33 N -3.92 3.23 0.61 -3.49 2.01 -1.26 -0.12 115.64 112.70 3bdu s THR 33 Ca 0.12 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 3bdu s THR 33 Cb -0.05 -2.43 0.14 0.00 0.01 0.00 0.00 72.50 70.18 3bdu s THR 33 CO 0.06 0.47 0.71 -0.90 -0.69 0.00 0.00 174.62 174.27 3bdu n ASP 34 N 4.29 -0.51 -0.07 3.53 5.68 -0.52 0.26 116.55 129.21 3bdu n ASP 34 Ca -0.18 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 3bdu n ASP 34 Cb 0.51 -0.58 0.30 0.00 -1.14 0.00 0.00 41.12 40.21 3bdu n ASP 34 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bdu h ALA 35 N -2.06 1.43 0.00 2.12 0.00 -1.88 -0.40 119.26 118.47 3bdu h ALA 35 Ca -0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3bdu h ALA 35 Cb 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bdu h ALA 35 CO 0.17 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.51 3bdu n TYR 36 N -4.35 0.00 -1.12 0.00 4.01 -1.26 -4.83 117.16 109.60 3bdu n TYR 36 Ca 0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.73 3bdu n TYR 36 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.35 0.70 3.87 2.72 0.00 -0.16 -5.02 105.19 107.65 3bdu n GLY 37 Ca 0.16 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.98 3.61 0.07 1.61 0.74 -1.26 -4.81 119.66 117.64 3bdu s GLN 38 Ca 0.00 0.05 -0.31 0.00 0.05 0.00 0.00 55.36 55.16 3bdu s GLN 38 Cb 0.00 -3.19 -0.07 0.00 1.10 0.00 0.00 33.01 30.85 3bdu s GLN 38 CO 0.00 0.74 1.42 -0.65 -0.55 0.00 0.00 175.29 176.25 3bdu s GLN 39 N -1.09 4.30 0.08 1.67 -0.21 -1.26 -1.44 119.66 121.70 3bdu s GLN 39 Ca 0.19 2.06 0.04 0.00 0.02 0.00 0.00 55.36 57.67 3bdu s GLN 39 Cb -0.14 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 3bdu s GLN 39 CO 0.08 -0.51 -0.11 -0.65 -2.12 0.00 0.00 175.29 171.98 3bdu s GLN 40 N 1.67 0.79 0.00 2.91 -1.52 0.83 -4.95 119.66 119.40 3bdu s GLN 40 Ca 0.65 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 53.03 3bdu s GLN 40 Cb -0.35 -0.59 -0.00 0.00 -0.22 0.00 0.00 33.01 31.85 3bdu s GLN 40 CO 0.29 0.11 -0.02 -0.65 -0.25 0.00 0.00 175.29 174.77 3bdu s GLN 41 N -2.29 0.13 -0.00 2.91 -0.21 -1.26 -0.78 119.66 118.16 3bdu s GLN 41 Ca 0.01 -0.12 0.01 0.00 0.02 0.00 0.00 55.36 55.28 3bdu s GLN 41 Cb -0.06 -0.08 -0.00 0.00 1.00 0.00 0.00 33.01 33.87 3bdu s GLN 41 CO 0.01 0.02 -0.02 -1.50 -2.12 0.00 0.00 175.29 171.68 3bdu s ILE 42 N -0.20 0.16 0.22 1.08 2.07 -0.06 -4.95 121.20 119.52 3bdu s ILE 42 Ca -0.01 -0.08 -0.32 0.00 -1.41 0.00 0.00 60.65 58.83 3bdu s ILE 42 Cb -0.02 -0.15 -0.13 0.00 0.13 0.00 0.00 42.46 42.30 3bdu s ILE 42 CO -0.00 0.05 1.63 -3.20 -1.91 0.00 0.00 174.94 171.51 3bdu n ASN 43 N 3.09 3.63 0.01 4.50 2.85 -1.26 -0.65 115.26 127.43 3bdu n ASN 43 Ca -0.13 1.09 0.11 0.00 -0.11 0.00 0.00 54.58 55.54 3bdu n ASN 43 Cb 0.59 -1.53 0.55 0.00 1.24 0.00 0.00 39.78 40.63 3bdu n ASN 43 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3bdu h ARG 44 N 5.93 0.27 0.00 1.20 2.43 -1.94 0.72 114.38 122.99 3bdu h ARG 44 Ca -0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3bdu h ARG 44 Cb 1.23 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3bdu h ARG 44 CO 0.89 0.18 0.00 -0.25 -1.51 0.00 0.00 179.97 179.28 3bdu n ASP 45 N -4.47 0.26 -0.88 -3.80 8.00 -1.26 -1.48 116.55 112.91 3bdu n ASP 45 Ca 0.06 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.26 3bdu n ASP 45 Cb 0.31 -0.63 0.08 0.00 -0.02 0.00 0.00 41.12 40.86 3bdu n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bdu n ASN 46 N -1.81 2.84 -4.49 -2.24 4.05 0.25 -4.87 115.26 108.98 3bdu n ASN 46 Ca 0.02 -1.92 -0.38 0.00 0.45 0.00 0.00 54.58 52.74 3bdu n ASN 46 Cb 0.12 0.08 -0.12 0.00 1.23 0.00 0.00 39.78 41.10 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 -2.07 4.81 -0.16 3.44 1.01 -0.55 -1.46 120.40 125.41 3bdu s VAL 47 Ca 0.26 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 3bdu s VAL 47 Cb 0.20 -3.36 -0.23 0.00 0.00 0.00 0.00 36.38 32.98 3bdu s VAL 47 CO 0.34 0.17 0.47 0.50 0.00 0.00 0.00 175.10 176.59 3bdu h LYS 48 N 8.35 0.05 0.00 2.72 3.64 -0.64 -3.47 116.57 127.21 3bdu h LYS 48 Ca -0.34 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3bdu h LYS 48 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3bdu h LYS 48 CO 0.59 1.04 0.00 0.39 -2.27 0.00 0.00 179.45 179.20 3bdu n GLU 49 N -4.39 0.00 -3.65 1.90 1.02 -1.10 -5.01 120.64 109.41 3bdu n GLU 49 Ca -0.23 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.87 3bdu n GLU 49 Cb 0.66 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.01 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 -1.35 -2.22 -0.28 0.62 0.00 -0.37 -0.98 121.76 117.18 3bdu s ALA 51 Ca 0.00 1.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.45 3bdu s ALA 51 Cb 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 3bdu s ALA 51 CO 0.00 -0.12 0.70 0.21 0.00 0.00 0.00 175.76 176.55 3bdu s LYS 52 N 0.09 4.01 0.00 0.00 2.20 -1.26 -0.32 119.74 124.46 3bdu s LYS 52 Ca 0.06 0.53 0.27 0.00 -0.36 0.00 0.00 55.97 56.47 3bdu s LYS 52 Cb -0.05 -3.70 0.75 0.00 -1.51 0.00 0.00 37.83 33.32 3bdu s LYS 52 CO -0.15 -0.55 1.57 0.41 -0.36 0.00 0.00 175.35 176.28