#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 0.52 -0.15 1.55 0.11 -1.26 -4.27 120.40 116.90 1p9j s VAL 2 Ca 0.00 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 58.45 1p9j s VAL 2 Cb 0.00 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 1p9j s VAL 2 CO 0.00 -0.01 -0.23 -0.24 -3.33 0.00 0.00 175.10 171.30 1p9j n SER 3 N 2.50 1.34 -4.38 3.54 2.88 -1.26 -5.03 113.62 113.22 1p9j n SER 3 Ca -0.16 0.23 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 1p9j n SER 3 Cb 0.57 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 63.39 1p9j n SER 3 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1p9j s HIS 4 N -2.39 1.84 -0.30 0.66 4.02 -1.26 -5.12 115.29 112.74 1p9j s HIS 4 Ca -0.23 -0.53 -0.17 0.00 1.02 0.00 0.00 55.06 55.16 1p9j s HIS 4 Cb 0.08 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.58 30.77 1p9j s HIS 4 CO 0.30 0.43 0.45 -0.06 1.02 0.00 0.00 174.74 176.89 1p9j s PHE 5 N -2.87 3.22 0.26 1.40 0.08 -1.26 -5.06 117.98 113.75 1p9j s PHE 5 Ca 0.24 0.33 0.08 0.00 0.12 0.00 0.00 56.93 57.70 1p9j s PHE 5 Cb -0.01 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 1p9j s PHE 5 CO 0.09 -0.38 -0.11 -0.80 -0.10 0.00 0.00 175.22 173.92 1p9j s ASN 6 N 1.67 2.89 0.36 1.36 -0.87 -1.26 -5.16 114.94 113.93 1p9j s ASN 6 Ca 0.17 -1.11 0.00 0.00 -1.57 0.00 0.00 52.86 50.35 1p9j s ASN 6 Cb -0.16 -0.19 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1p9j s ASN 6 CO 0.11 -0.22 0.00 0.47 -2.57 0.00 0.00 177.10 174.89 1p9j n ASP 7 N -0.54 0.00 -4.65 -1.22 8.00 -1.26 -4.81 116.55 112.07 1p9j n ASP 7 Ca -0.06 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.21 1p9j n ASP 7 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1p9j n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p9j h PRO 9 N 11.32 -0.64 -0.25 0.00 0.11 -1.94 -3.36 132.00 137.23 1p9j h PRO 9 Ca -0.48 0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 1p9j h PRO 9 Cb 1.25 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 1p9j h PRO 9 CO 0.95 -0.36 -0.47 1.37 -0.21 0.00 0.00 178.00 179.28 1p9j h LEU 10 N -1.09 0.73 -7.68 2.35 8.10 -2.02 -3.44 115.31 112.26 1p9j h LEU 10 Ca -0.07 -0.36 -0.14 0.00 0.11 0.00 0.00 57.88 57.43 1p9j h LEU 10 Cb 0.58 -0.21 -0.21 0.00 -0.44 0.00 0.00 40.66 40.38 1p9j h LEU 10 CO 0.11 1.08 -0.44 -0.55 -4.11 0.00 0.00 178.44 174.54 1p9j s SER 11 N -6.89 -0.03 -0.02 0.17 0.15 -1.26 -5.06 113.70 100.77 1p9j s SER 11 Ca -0.08 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 1p9j s SER 11 Cb 0.11 0.24 -0.33 0.00 -1.71 0.00 0.00 66.02 64.33 1p9j s SER 11 CO 0.85 -0.38 0.86 -0.74 1.20 0.00 0.00 173.24 175.03 1p9j h HIS 12 N 4.22 0.80 -3.22 3.44 2.76 -1.86 -3.43 115.15 117.86 1p9j h HIS 12 Ca -0.30 -0.58 -0.64 0.00 -2.20 0.00 0.00 60.37 56.64 1p9j h HIS 12 Cb 1.19 -0.03 -0.10 0.00 1.55 0.00 0.00 27.41 30.02 1p9j h HIS 12 CO 0.57 1.54 -0.61 -0.51 -1.30 0.00 0.00 177.93 177.62 1p9j s ASP 13 N -7.36 5.43 0.00 3.26 1.01 -1.26 -4.73 116.67 113.02 1p9j s ASP 13 Ca -0.13 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.11 1p9j s ASP 13 Cb 0.04 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.53 1p9j s ASP 13 CO 0.89 0.19 0.00 0.61 0.21 0.00 0.00 175.17 177.07 1p9j n GLY 14 N 0.63 -1.12 0.10 0.21 0.00 -1.26 -5.03 105.19 98.72 1p9j n GLY 14 Ca -0.10 0.47 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 1p9j n GLY 14 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p9j n TYR 15 N 0.00 0.95 -3.16 1.61 9.36 -1.26 -4.95 117.16 119.71 1p9j n TYR 15 Ca 0.00 0.41 -0.39 0.00 3.32 0.00 0.00 57.90 61.24 1p9j n TYR 15 Cb 0.00 -1.06 -0.05 0.00 -0.63 0.00 0.00 39.34 37.60 1p9j n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1p9j s LEU 17 N -0.03 2.90 -1.74 0.00 1.02 -0.50 -4.14 118.68 116.19 1p9j s LEU 17 Ca 0.33 0.31 -0.18 0.00 0.02 0.00 0.00 54.13 54.60 1p9j s LEU 17 Cb -0.18 -2.95 0.16 0.00 0.02 0.00 0.00 46.19 43.25 1p9j s LEU 17 CO 0.18 -1.60 0.64 1.41 0.02 0.00 0.00 176.35 177.00 1p9j n HIS 18 N -2.86 -1.50 -2.67 0.29 8.25 -1.26 -1.93 115.22 113.55 1p9j n HIS 18 Ca 0.09 0.74 -0.14 0.00 -0.26 0.00 0.00 57.72 58.15 1p9j n HIS 18 Cb 0.60 -2.62 0.02 0.00 1.12 0.00 0.00 29.99 29.11 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1p9j n ASP 19 N -2.63 -4.36 -4.72 0.41 9.92 -1.26 -4.82 116.55 109.09 1p9j n ASP 19 Ca 0.03 -0.16 -0.42 0.00 -0.53 0.00 0.00 54.79 53.72 1p9j n ASP 19 Cb 0.51 -3.28 -0.03 0.00 -0.64 0.00 0.00 41.12 37.68 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 -2.77 1.67 -0.46 0.44 0.00 -0.81 -4.96 107.32 100.43 1p9j s GLY 20 Ca 0.16 1.34 -0.23 0.00 0.00 0.00 0.00 44.72 45.99 1p9j s GLY 20 CO 0.20 2.57 0.76 0.14 0.00 0.00 0.00 173.10 176.77 1p9j s VAL 21 N 1.06 4.68 -0.09 1.40 1.01 -0.16 -4.76 120.40 123.54 1p9j s VAL 21 Ca 0.69 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 1p9j s VAL 21 Cb -0.43 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 1p9j s VAL 21 CO 0.32 -0.72 0.15 0.00 0.00 0.00 0.00 175.10 174.85 1p9j s MET 23 N -1.27 0.30 -0.14 0.00 -1.94 -0.24 -2.75 119.30 113.26 1p9j s MET 23 Ca 0.18 -0.17 -0.19 0.00 -1.71 0.00 0.00 55.69 53.80 1p9j s MET 23 Cb -0.12 -1.82 -0.04 0.00 2.01 0.00 0.00 34.83 34.86 1p9j s MET 23 CO 0.08 -0.62 0.51 -0.47 -0.01 0.00 0.00 175.02 174.50 1p9j s TYR 24 N 2.03 3.47 -0.34 -0.03 5.04 -1.26 -1.27 117.35 124.99 1p9j s TYR 24 Ca 0.01 0.88 -0.07 0.00 -2.44 0.00 0.00 57.07 55.45 1p9j s TYR 24 Cb -0.16 -2.61 0.03 0.00 0.35 0.00 0.00 41.96 39.57 1p9j s TYR 24 CO -0.08 0.07 0.11 0.42 -1.34 0.00 0.00 175.55 174.73 1p9j s ILE 25 N 0.97 3.87 0.19 3.14 1.09 -0.58 -4.71 121.20 125.17 1p9j s ILE 25 Ca 0.26 -1.06 -0.09 0.00 -1.10 0.00 0.00 60.65 58.66 1p9j s ILE 25 Cb -0.15 -3.16 0.11 0.00 -1.06 0.00 0.00 42.46 38.19 1p9j s ILE 25 CO 0.11 -0.15 1.73 -0.08 -0.10 0.00 0.00 174.94 176.44 1p9j h GLU 26 N 8.24 1.07 -0.08 2.79 4.22 -1.97 0.27 114.58 129.12 1p9j h GLU 26 Ca -0.24 -0.23 0.02 0.00 0.08 0.00 0.00 59.36 58.98 1p9j h GLU 26 Cb 1.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1p9j h GLU 26 CO 0.61 0.92 0.06 0.00 -2.18 0.00 0.00 179.01 178.42 1p9j h ALA 27 N 1.10 2.03 0.11 2.92 0.00 -1.94 -2.90 119.26 120.57 1p9j h ALA 27 Ca 0.22 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.77 1p9j h ALA 27 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1p9j h ALA 27 CO -0.01 -0.05 -1.97 1.28 0.00 0.00 0.00 179.25 178.50 1p9j n LEU 28 N -4.52 2.42 -0.72 0.00 4.77 -0.84 -4.71 117.00 113.41 1p9j n LEU 28 Ca -0.01 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1p9j n LEU 28 Cb 0.14 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 1p9j n LEU 28 CO 0.34 0.80 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.45 1p9j n ASP 29 N -3.42 -3.84 -4.52 -1.43 2.03 0.02 -5.04 116.55 100.35 1p9j n ASP 29 Ca -0.30 0.17 -0.26 0.00 0.52 0.00 0.00 54.79 54.91 1p9j n ASP 29 Cb 1.05 -2.30 -0.10 0.00 -0.72 0.00 0.00 41.12 39.05 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 -3.06 1.88 0.13 -0.67 -0.14 -1.21 -4.97 119.74 111.70 1p9j s LYS 30 Ca 0.00 -1.38 -0.02 0.00 -1.36 0.00 0.00 55.97 53.21 1p9j s LYS 30 Cb 0.00 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1p9j s LYS 30 CO 0.00 0.42 0.06 1.52 -0.76 0.00 0.00 175.35 176.59 1p9j s TYR 31 N -1.76 0.80 -0.16 3.18 1.13 -1.26 -1.53 117.35 117.74 1p9j s TYR 31 Ca 0.24 -1.19 -0.10 0.00 -1.41 0.00 0.00 57.07 54.62 1p9j s TYR 31 Cb -0.08 -0.44 0.06 0.00 -1.10 0.00 0.00 41.96 40.39 1p9j s TYR 31 CO 0.14 -0.52 0.40 0.00 -2.51 0.00 0.00 175.55 173.06 1p9j s ALA 32 N -4.03 -1.02 -0.20 9.51 0.00 -0.40 -5.00 121.76 120.62 1p9j s ALA 32 Ca 0.22 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.59 1p9j s ALA 32 Cb 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1p9j s ALA 32 CO 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 175.76 175.50 1p9j s ASN 34 N 1.01 6.22 0.32 0.00 2.47 0.35 -4.88 114.94 120.44 1p9j s ASN 34 Ca 0.01 0.35 0.07 0.00 0.42 0.00 0.00 52.86 53.72 1p9j s ASN 34 Cb -0.14 -2.04 -0.06 0.00 -1.45 0.00 0.00 41.25 37.56 1p9j s ASN 34 CO 0.01 0.32 -0.05 0.00 -3.72 0.00 0.00 177.10 173.67 1p9j s VAL 36 N -2.90 2.00 0.22 0.00 1.01 -1.26 -5.03 120.40 114.44 1p9j s VAL 36 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1p9j s VAL 36 Cb 0.05 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 1p9j s VAL 36 CO 0.14 0.00 1.22 0.54 0.00 0.00 0.00 175.10 177.00 1p9j s VAL 37 N -3.71 3.38 0.00 2.92 0.11 -1.26 -3.71 120.40 118.13 1p9j s VAL 37 Ca 0.67 1.21 0.00 0.00 -2.93 0.00 0.00 61.98 60.93 1p9j s VAL 37 Cb -0.08 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1p9j s VAL 37 CO 0.51 0.22 0.00 0.61 -3.33 0.00 0.00 175.10 173.11 1p9j n GLY 38 N 1.88 0.62 2.92 6.54 0.00 -1.26 -5.02 105.19 110.87 1p9j n GLY 38 Ca 0.03 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 0.95 0.29 1.61 2.02 -1.24 -1.11 117.35 117.87 1p9j s TYR 39 Ca 0.00 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1p9j s TYR 39 Cb 0.00 -0.79 -0.06 0.00 -0.40 0.00 0.00 41.96 40.71 1p9j s TYR 39 CO 0.00 -0.23 0.08 0.96 -1.57 0.00 0.00 175.55 174.78 1p9j s ILE 40 N 0.93 0.90 0.00 2.71 -4.36 0.03 -4.85 121.20 116.57 1p9j s ILE 40 Ca -0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1p9j s ILE 40 Cb -0.15 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1p9j s ILE 40 CO 0.00 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1p9j n GLY 41 N -0.58 2.04 0.25 6.27 0.00 -1.26 -1.05 105.19 110.85 1p9j n GLY 41 Ca -0.01 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 1p9j n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p9j h GLU 42 N 0.00 0.78 -0.07 1.61 5.08 -2.01 -2.18 114.58 117.78 1p9j h GLU 42 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1p9j h GLU 42 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1p9j h GLU 42 CO 0.00 1.06 0.00 0.54 -1.00 0.00 0.00 179.01 179.61 1p9j n ARG 43 N -4.03 1.73 -3.51 2.33 5.12 -1.26 -4.94 116.66 112.11 1p9j n ARG 43 Ca -0.03 -1.08 -0.20 0.00 -1.93 0.00 0.00 57.85 54.62 1p9j n ARG 43 Cb 0.56 -1.45 0.08 0.00 -1.16 0.00 0.00 32.46 30.49 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1p9j h GLN 45 N -2.16 0.38 -6.23 0.00 4.20 -1.72 -3.37 115.11 106.21 1p9j h GLN 45 Ca -0.58 -0.66 -0.52 0.00 0.06 0.00 0.00 58.65 56.95 1p9j h GLN 45 Cb 1.35 0.24 -0.02 0.00 0.30 0.00 0.00 27.48 29.36 1p9j h GLN 45 CO 0.53 1.31 -0.34 0.71 -0.67 0.00 0.00 178.83 180.36 1p9j s TYR 46 N -2.63 3.48 -0.01 2.96 1.51 -0.22 -4.92 117.35 117.52 1p9j s TYR 46 Ca -0.06 0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.24 1p9j s TYR 46 Cb 0.06 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1p9j s TYR 46 CO 0.91 0.37 0.19 0.50 -1.11 0.00 0.00 175.55 176.41 1p9j s ARG 47 N -3.50 3.46 -0.98 -0.62 3.52 -1.26 -0.79 118.95 118.78 1p9j s ARG 47 Ca 0.38 -0.27 -0.23 0.00 -0.13 0.00 0.00 55.73 55.47 1p9j s ARG 47 Cb -0.11 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.24 1p9j s ARG 47 CO 0.30 0.67 1.39 0.34 -0.81 0.00 0.00 175.30 177.20 1p9j s ASP 48 N -1.86 6.48 0.32 -2.12 -1.08 -0.27 -4.80 116.67 113.34 1p9j s ASP 48 Ca 0.27 -1.43 0.17 0.00 -0.52 0.00 0.00 52.55 51.05 1p9j s ASP 48 Cb -0.13 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 39.03 1p9j s ASP 48 CO 0.18 -1.49 1.53 0.25 0.52 0.00 0.00 175.17 176.16 1p9j h LEU 49 N 12.54 0.00 -1.71 -1.34 5.85 -1.96 -2.93 115.31 125.76 1p9j h LEU 49 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1p9j h LEU 49 Cb 1.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1p9j h LEU 49 CO 1.38 0.40 -0.18 0.11 -0.34 0.00 0.00 178.44 179.81 1p9j h LYS 50 N 0.00 0.00 0.21 1.25 6.56 -1.91 0.14 116.57 122.82 1p9j h LYS 50 Ca -0.00 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.27 1p9j h LYS 50 Cb 1.23 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.92 1p9j h LYS 50 CO 0.05 0.18 -1.40 2.35 -2.06 0.00 0.00 179.45 178.57 1p9j h TRP 51 N 0.00 0.93 0.02 -1.35 7.01 -1.93 -3.37 115.95 117.26 1p9j h TRP 51 Ca -0.00 -0.65 -0.23 0.00 2.11 0.00 0.00 58.89 60.12 1p9j h TRP 51 Cb 0.34 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1p9j h TRP 51 CO 0.00 1.50 -1.09 -1.49 -2.79 0.00 0.00 178.44 174.57 1p9j h TRP 52 N 0.17 0.07 -1.03 2.65 4.06 -1.28 -3.35 115.95 117.24 1p9j h TRP 52 Ca -0.22 -0.05 -0.74 0.00 2.06 0.00 0.00 58.89 59.94 1p9j h TRP 52 Cb 2.09 -0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 30.13 1p9j h TRP 52 CO 0.12 1.04 2.48 -1.91 -3.56 0.00 0.00 178.44 176.61 1p9j n GLU 53 N -3.35 4.00 0.00 0.49 4.07 0.45 -5.10 120.64 121.20 1p9j n GLU 53 Ca -0.03 -3.29 0.00 0.00 -0.06 0.00 0.00 57.16 53.79 1p9j n GLU 53 Cb 0.96 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.53 1p9j n GLU 53 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35