#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9j s VAL 2 N 0.00 4.80 0.40 3.34 0.11 -1.26 -4.13 120.40 123.65 1p9j s VAL 2 Ca 0.00 -0.30 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1p9j s VAL 2 Cb 0.00 -4.32 -0.08 0.00 -1.53 0.00 0.00 36.38 30.46 1p9j s VAL 2 CO 0.00 -0.82 0.02 -0.55 -3.33 0.00 0.00 175.10 170.42 1p9j s SER 3 N 2.61 3.66 0.07 3.54 0.15 -1.25 -5.08 113.70 117.40 1p9j s SER 3 Ca 0.18 -1.37 0.01 0.00 0.70 0.00 0.00 55.95 55.47 1p9j s SER 3 Cb -0.18 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1p9j s SER 3 CO 0.14 -0.47 0.19 -2.28 1.20 0.00 0.00 173.24 172.01 1p9j s HIS 4 N -2.80 3.46 -0.08 3.44 5.65 -1.26 -4.85 115.29 118.84 1p9j s HIS 4 Ca 0.35 0.21 -0.16 0.00 0.25 0.00 0.00 55.06 55.71 1p9j s HIS 4 Cb 0.10 -1.73 -0.05 0.00 -1.18 0.00 0.00 32.58 29.72 1p9j s HIS 4 CO 0.18 0.57 0.42 0.12 -0.65 0.00 0.00 174.74 175.37 1p9j s PHE 5 N -1.50 3.59 0.29 3.88 5.36 -1.26 -4.89 117.98 123.44 1p9j s PHE 5 Ca 0.34 0.87 0.03 0.00 -0.96 0.00 0.00 56.93 57.21 1p9j s PHE 5 Cb -0.13 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 1p9j s PHE 5 CO 0.27 0.36 0.15 -0.80 -1.46 0.00 0.00 175.22 173.74 1p9j s ASN 6 N -0.06 1.37 0.64 6.13 -0.87 -1.26 -5.15 114.94 115.74 1p9j s ASN 6 Ca 0.23 -1.52 -0.00 0.00 -1.57 0.00 0.00 52.86 50.00 1p9j s ASN 6 Cb -0.15 0.36 0.08 0.00 -0.02 0.00 0.00 41.25 41.51 1p9j s ASN 6 CO 0.10 -0.87 0.89 -0.62 -2.57 0.00 0.00 177.10 174.04 1p9j s ASP 7 N -3.35 4.81 0.54 -1.22 2.15 -1.26 -4.49 116.67 113.86 1p9j s ASP 7 Ca 0.36 -0.16 -0.18 0.00 0.43 0.00 0.00 52.55 53.01 1p9j s ASP 7 Cb 0.05 -0.47 -0.06 0.00 -0.30 0.00 0.00 42.92 42.14 1p9j s ASP 7 CO 0.17 -1.51 1.06 0.00 -0.17 0.00 0.00 175.17 174.71 1p9j s PRO 9 N -3.62 -1.81 0.31 0.00 0.02 -1.26 -4.90 135.00 123.74 1p9j s PRO 9 Ca 0.66 0.34 0.07 0.00 0.02 0.00 0.00 61.00 62.10 1p9j s PRO 9 Cb -0.17 -1.49 0.82 0.00 0.02 0.00 0.00 34.50 33.68 1p9j s PRO 9 CO 0.29 -4.19 1.70 -0.07 -0.33 0.00 0.00 177.00 174.40 1p9j h LEU 10 N -2.93 0.47 -6.63 -5.54 3.38 -2.05 -2.85 115.31 99.15 1p9j h LEU 10 Ca -0.51 0.15 -0.74 0.00 0.09 0.00 0.00 57.88 56.87 1p9j h LEU 10 Cb 1.33 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 42.05 1p9j h LEU 10 CO 0.39 0.02 2.14 -1.20 0.09 0.00 0.00 178.44 179.88 1p9j n SER 11 N -4.99 4.87 0.08 -0.43 7.64 -1.26 -4.78 113.62 114.75 1p9j n SER 11 Ca 0.25 -3.03 -0.22 0.00 1.01 0.00 0.00 58.87 56.88 1p9j n SER 11 Cb 0.72 -1.54 -0.13 0.00 -1.01 0.00 0.00 64.21 62.26 1p9j n SER 11 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1p9j h HIS 12 N 6.10 1.02 -0.99 1.43 2.07 -1.85 -3.20 115.15 119.73 1p9j h HIS 12 Ca 0.42 -0.63 -0.60 0.00 -2.85 0.00 0.00 60.37 56.72 1p9j h HIS 12 Cb 0.68 -0.09 -0.30 0.00 2.57 0.00 0.00 27.41 30.28 1p9j h HIS 12 CO 1.28 1.47 0.77 -0.40 -3.07 0.00 0.00 177.93 177.97 1p9j n ASP 13 N -3.81 5.84 0.04 3.10 5.75 -1.26 -4.49 116.55 121.72 1p9j n ASP 13 Ca -0.13 -3.68 -0.02 0.00 -0.01 0.00 0.00 54.79 50.94 1p9j n ASP 13 Cb 0.97 -0.91 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1p9j n ASP 13 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1p9j h GLY 14 N 1.56 -0.12 1.36 6.12 0.00 -1.92 -3.37 103.07 106.69 1p9j h GLY 14 Ca 0.62 0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.79 1p9j h GLY 14 CO 1.35 -0.04 -1.26 -1.82 0.00 0.00 0.00 176.54 174.77 1p9j h TYR 15 N -0.20 0.00 -3.52 5.60 3.20 -1.85 -3.45 116.97 116.75 1p9j h TYR 15 Ca -0.01 0.00 -0.62 0.00 3.14 0.00 0.00 58.73 61.24 1p9j h TYR 15 Cb 0.09 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.24 1p9j h TYR 15 CO 0.10 0.76 0.23 0.00 -1.64 0.00 0.00 178.16 177.61 1p9j s LEU 17 N 2.78 3.36 -1.38 0.00 2.01 -1.24 -3.31 118.68 120.90 1p9j s LEU 17 Ca 0.27 1.04 -0.02 0.00 0.01 0.00 0.00 54.13 55.43 1p9j s LEU 17 Cb -0.14 -3.98 0.00 0.00 0.01 0.00 0.00 46.19 42.08 1p9j s LEU 17 CO 0.14 -0.84 0.33 1.57 1.01 0.00 0.00 176.35 178.55 1p9j n HIS 18 N -2.54 -1.35 -2.46 0.29 -0.00 -1.26 -2.90 115.22 104.98 1p9j n HIS 18 Ca 0.04 0.28 -0.06 0.00 0.46 0.00 0.00 57.72 58.43 1p9j n HIS 18 Cb 0.56 -3.78 0.03 0.00 -0.12 0.00 0.00 29.99 26.67 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1p9j n ASP 19 N -1.65 -4.85 -4.76 0.26 9.92 -1.26 -5.02 116.55 109.19 1p9j n ASP 19 Ca -0.14 -0.30 -0.39 0.00 -0.53 0.00 0.00 54.79 53.44 1p9j n ASP 19 Cb 0.62 -3.27 -0.05 0.00 -0.64 0.00 0.00 41.12 37.78 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1p9j s GLY 20 N -3.03 2.97 -1.01 0.44 0.00 -1.14 -4.95 107.32 100.60 1p9j s GLY 20 Ca 0.18 0.73 -0.19 0.00 0.00 0.00 0.00 44.72 45.45 1p9j s GLY 20 CO 0.42 1.27 1.28 0.14 0.00 0.00 0.00 173.10 176.21 1p9j s VAL 21 N -1.34 4.57 -0.06 1.40 1.01 -0.74 -4.46 120.40 120.78 1p9j s VAL 21 Ca 0.47 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 1p9j s VAL 21 Cb -0.26 -4.88 -0.03 0.00 0.00 0.00 0.00 36.38 31.20 1p9j s VAL 21 CO 0.33 -1.65 1.18 0.00 0.00 0.00 0.00 175.10 174.97 1p9j s MET 23 N 2.17 0.72 0.08 0.00 -1.94 -0.56 -4.52 119.30 115.24 1p9j s MET 23 Ca 0.55 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 1p9j s MET 23 Cb -0.24 -0.19 -0.06 0.00 2.01 0.00 0.00 34.83 36.35 1p9j s MET 23 CO 0.22 -0.01 0.41 -0.47 -0.01 0.00 0.00 175.02 175.16 1p9j s TYR 24 N -2.99 3.59 -0.39 -0.03 5.04 -1.26 -1.24 117.35 120.08 1p9j s TYR 24 Ca 0.05 0.82 -0.06 0.00 -2.44 0.00 0.00 57.07 55.43 1p9j s TYR 24 Cb 0.01 -2.18 0.08 0.00 0.35 0.00 0.00 41.96 40.22 1p9j s TYR 24 CO -0.04 0.52 0.19 0.42 -1.34 0.00 0.00 175.55 175.30 1p9j s ILE 25 N -1.38 3.73 0.22 3.14 1.09 0.33 -4.95 121.20 123.38 1p9j s ILE 25 Ca 0.33 -1.55 -0.05 0.00 -1.10 0.00 0.00 60.65 58.27 1p9j s ILE 25 Cb -0.14 -3.32 0.08 0.00 -1.06 0.00 0.00 42.46 38.02 1p9j s ILE 25 CO 0.18 -0.46 1.68 1.05 -0.10 0.00 0.00 174.94 177.29 1p9j h GLU 26 N 8.23 0.90 -0.27 2.79 9.09 -1.90 -0.75 114.58 132.67 1p9j h GLU 26 Ca -0.20 -0.29 -0.03 0.00 0.05 0.00 0.00 59.36 58.89 1p9j h GLU 26 Cb 1.07 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 28.07 1p9j h GLU 26 CO 0.69 0.93 0.02 0.00 0.05 0.00 0.00 179.01 180.70 1p9j h ALA 27 N 1.11 1.54 -0.00 1.06 0.00 -1.89 -3.21 119.26 117.87 1p9j h ALA 27 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p9j h ALA 27 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1p9j h ALA 27 CO 0.03 0.34 -0.19 1.28 0.00 0.00 0.00 179.25 180.72 1p9j n LEU 28 N -4.34 0.63 -2.74 0.00 4.77 -1.18 0.37 117.00 114.51 1p9j n LEU 28 Ca 0.01 -0.65 -0.19 0.00 -0.03 0.00 0.00 56.01 55.15 1p9j n LEU 28 Cb 0.20 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1p9j n LEU 28 CO 0.37 0.14 0.09 -0.67 -1.33 0.00 0.00 177.39 176.00 1p9j n ASP 29 N -0.69 -5.44 -4.66 -1.43 2.03 -0.32 -4.93 116.55 101.10 1p9j n ASP 29 Ca 0.02 -0.33 -0.28 0.00 0.52 0.00 0.00 54.79 54.72 1p9j n ASP 29 Cb 0.11 -4.18 -0.10 0.00 -0.72 0.00 0.00 41.12 36.23 1p9j n ASP 29 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1p9j s LYS 30 N -5.76 2.03 0.25 -0.67 -0.14 -1.02 -4.98 119.74 109.46 1p9j s LYS 30 Ca 0.35 -2.13 0.12 0.00 -1.36 0.00 0.00 55.97 52.95 1p9j s LYS 30 Cb -0.16 -1.66 -0.05 0.00 -1.68 0.00 0.00 37.83 34.28 1p9j s LYS 30 CO 0.44 -0.12 -0.20 0.71 -0.76 0.00 0.00 175.35 175.43 1p9j s TYR 31 N -2.73 2.33 0.31 3.18 2.02 -1.26 -0.51 117.35 120.69 1p9j s TYR 31 Ca 0.31 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 1p9j s TYR 31 Cb 0.08 -1.06 0.01 0.00 -0.40 0.00 0.00 41.96 40.59 1p9j s TYR 31 CO 0.16 0.64 0.56 0.00 -1.57 0.00 0.00 175.55 175.35 1p9j s ALA 32 N -2.22 -0.08 -0.06 3.71 0.00 -0.37 -4.92 121.76 117.82 1p9j s ALA 32 Ca 0.27 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1p9j s ALA 32 Cb -0.06 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1p9j s ALA 32 CO 0.14 -0.88 -0.17 0.00 0.00 0.00 0.00 175.76 174.85 1p9j s ASN 34 N 0.30 6.39 0.17 0.00 2.47 0.32 -4.91 114.94 119.67 1p9j s ASN 34 Ca -0.10 0.42 0.05 0.00 0.42 0.00 0.00 52.86 53.64 1p9j s ASN 34 Cb -0.14 -2.04 -0.04 0.00 -1.45 0.00 0.00 41.25 37.58 1p9j s ASN 34 CO 0.04 0.34 0.19 0.00 -3.72 0.00 0.00 177.10 173.95 1p9j s VAL 36 N -1.79 4.83 0.14 0.00 1.01 -1.26 -5.01 120.40 118.32 1p9j s VAL 36 Ca 0.32 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1p9j s VAL 36 Cb -0.10 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1p9j s VAL 36 CO 0.25 -0.95 1.10 0.54 0.00 0.00 0.00 175.10 176.04 1p9j s VAL 37 N -2.89 4.02 0.00 2.92 0.11 -1.26 -3.33 120.40 119.97 1p9j s VAL 37 Ca 0.50 1.66 0.00 0.00 -2.93 0.00 0.00 61.98 61.21 1p9j s VAL 37 Cb -0.11 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 1p9j s VAL 37 CO 0.48 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 173.10 1p9j n GLY 38 N 2.31 0.61 3.25 6.54 0.00 -1.26 -5.05 105.19 111.59 1p9j n GLY 38 Ca 0.04 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1p9j n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p9j s TYR 39 N -2.00 2.38 0.23 1.61 1.51 -1.21 -1.20 117.35 118.67 1p9j s TYR 39 Ca 0.00 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 1p9j s TYR 39 Cb 0.00 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.23 1p9j s TYR 39 CO 0.00 -0.24 -0.04 0.96 -1.11 0.00 0.00 175.55 175.13 1p9j s ILE 40 N -0.08 1.21 0.00 2.71 -4.36 -0.21 -4.91 121.20 115.56 1p9j s ILE 40 Ca -0.06 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.27 1p9j s ILE 40 Cb -0.14 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.29 1p9j s ILE 40 CO 0.04 -0.40 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1p9j n GLY 41 N -0.42 2.29 0.21 6.27 0.00 -1.26 -2.07 105.19 110.21 1p9j n GLY 41 Ca -0.06 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.15 1p9j n GLY 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1p9j h GLU 42 N 0.00 0.00 -0.04 1.61 9.09 -2.02 -1.73 114.58 121.48 1p9j h GLU 42 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1p9j h GLU 42 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1p9j h GLU 42 CO 0.00 0.28 0.00 -2.13 0.05 0.00 0.00 179.01 177.21 1p9j n ARG 43 N -4.08 2.23 -3.19 1.06 0.63 -1.26 -4.98 116.66 107.07 1p9j n ARG 43 Ca -0.02 -1.79 -0.19 0.00 -0.92 0.00 0.00 57.85 54.93 1p9j n ARG 43 Cb 0.34 -1.47 0.05 0.00 0.45 0.00 0.00 32.46 31.83 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p9j h GLN 45 N -1.78 0.13 -6.25 0.00 4.20 -1.73 -3.40 115.11 106.27 1p9j h GLN 45 Ca -0.46 -0.06 -0.46 0.00 0.06 0.00 0.00 58.65 57.72 1p9j h GLN 45 Cb 1.31 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1p9j h GLN 45 CO 0.47 0.54 -0.41 0.71 -0.67 0.00 0.00 178.83 179.47 1p9j s TYR 46 N -4.43 3.12 -0.05 2.96 2.02 -0.88 -4.64 117.35 115.46 1p9j s TYR 46 Ca -0.15 -0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 1p9j s TYR 46 Cb 0.03 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 1p9j s TYR 46 CO 0.70 0.18 0.26 1.03 -1.57 0.00 0.00 175.55 176.16 1p9j s ARG 47 N -4.05 3.63 -0.17 -0.62 0.52 -1.26 -1.05 118.95 115.95 1p9j s ARG 47 Ca 0.41 0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 55.39 1p9j s ARG 47 Cb -0.08 -3.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 1p9j s ARG 47 CO 0.29 0.71 1.12 0.34 0.02 0.00 0.00 175.30 177.78 1p9j s ASP 48 N -1.23 7.07 0.06 0.23 2.15 -0.34 -4.88 116.67 119.74 1p9j s ASP 48 Ca 0.21 1.54 -0.02 0.00 0.43 0.00 0.00 52.55 54.71 1p9j s ASP 48 Cb -0.14 -2.54 -0.27 0.00 -0.30 0.00 0.00 42.92 39.67 1p9j s ASP 48 CO 0.10 -0.65 1.08 -0.07 -0.17 0.00 0.00 175.17 175.46 1p9j h LEU 49 N 9.18 0.34 -1.97 -1.34 4.07 -1.98 -3.40 115.31 120.22 1p9j h LEU 49 Ca -0.24 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.33 1p9j h LEU 49 Cb 1.10 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 1p9j h LEU 49 CO 0.95 1.32 0.04 0.11 -1.08 0.00 0.00 178.44 179.77 1p9j h LYS 50 N 0.06 0.04 0.00 1.13 6.56 -1.93 -2.09 116.57 120.34 1p9j h LYS 50 Ca -0.15 -0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.31 1p9j h LYS 50 Cb 1.96 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 33.59 1p9j h LYS 50 CO 0.18 0.03 -0.61 0.11 -2.06 0.00 0.00 179.45 177.10 1p9j h TRP 51 N 0.04 0.00 0.02 -1.35 5.08 -1.97 -3.26 115.95 114.51 1p9j h TRP 51 Ca 0.02 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.99 1p9j h TRP 51 Cb 0.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1p9j h TRP 51 CO -0.00 0.61 -0.01 -1.49 -1.28 0.00 0.00 178.44 176.27 1p9j h TRP 52 N 0.00 -0.02 -0.99 0.12 4.06 -1.65 -3.30 115.95 114.17 1p9j h TRP 52 Ca -0.01 -0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.30 1p9j h TRP 52 Cb 1.44 0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 29.48 1p9j h TRP 52 CO 0.00 0.43 1.81 0.39 -3.56 0.00 0.00 178.44 177.52 1p9j n GLU 53 N -4.88 3.79 0.00 0.49 1.02 -1.12 -5.19 120.64 114.75 1p9j n GLU 53 Ca -0.08 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 1p9j n GLU 53 Cb 0.24 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20