#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 1.46 0.05 1.55 1.01 -1.26 -3.97 120.40 119.24 1p9j s VAL 2 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1p9j s VAL 2 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1p9j s VAL 2 CO 0.00 0.36 0.00 -0.24 0.00 0.00 0.00 175.10 175.22 1p9j n SER 3 N 4.79 0.11 -4.32 3.32 2.88 -1.26 -5.11 113.62 114.04 1p9j n SER 3 Ca -0.15 0.08 -0.22 0.00 -1.33 0.00 0.00 58.87 57.25 1p9j n SER 3 Cb 0.49 0.02 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 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 -2.00 1.77 0.16 0.66 0.09 -1.26 -5.14 115.29 109.57 1p9j s HIS 4 Ca 0.00 -0.47 0.05 0.00 -0.00 0.00 0.00 55.06 54.63 1p9j s HIS 4 Cb 0.00 -0.90 -0.04 0.00 -0.00 0.00 0.00 32.58 31.64 1p9j s HIS 4 CO 0.00 0.29 -0.10 -0.59 -0.00 0.00 0.00 174.74 174.34 1p9j s PHE 5 N -1.95 1.32 -0.30 1.40 -0.71 -1.26 -3.97 117.98 112.51 1p9j s PHE 5 Ca 0.14 -0.75 -0.03 0.00 -1.04 0.00 0.00 56.93 55.25 1p9j s PHE 5 Cb -0.06 -0.67 0.10 0.00 -1.21 0.00 0.00 43.02 41.18 1p9j s PHE 5 CO 0.06 0.10 0.13 -0.80 -1.34 0.00 0.00 175.22 173.37 1p9j s ASN 6 N -3.19 3.59 0.00 1.98 -0.87 -0.84 -4.95 114.94 110.66 1p9j s ASN 6 Ca 0.18 -1.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.05 1p9j s ASN 6 Cb 0.02 -0.45 0.00 0.00 -0.02 0.00 0.00 41.25 40.80 1p9j s ASN 6 CO 0.01 -0.43 0.00 -0.90 -2.57 0.00 0.00 177.10 173.22 1p9j n ASP 7 N 5.09 1.79 -4.44 -1.22 5.75 -1.26 -4.27 116.55 118.00 1p9j n ASP 7 Ca -0.04 -0.84 -0.50 0.00 -0.01 0.00 0.00 54.79 53.40 1p9j n ASP 7 Cb 0.42 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 1p9j n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p9j s PRO 9 N 6.38 1.48 0.24 0.00 0.04 -1.26 -4.98 135.00 136.90 1p9j s PRO 9 Ca 1.10 -0.49 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1p9j s PRO 9 Cb -0.87 -2.07 0.26 0.00 0.04 0.00 0.00 34.50 31.86 1p9j s PRO 9 CO 0.49 -1.75 1.59 -0.07 0.04 0.00 0.00 177.00 177.30 1p9j h LEU 10 N -1.00 0.44-10.41 -3.56 3.38 -2.06 -3.45 115.31 98.65 1p9j h LEU 10 Ca -0.43 -0.21 -0.44 0.00 0.09 0.00 0.00 57.88 56.89 1p9j h LEU 10 Cb 1.28 -0.13 0.16 0.00 0.09 0.00 0.00 40.66 42.06 1p9j h LEU 10 CO 0.48 0.86 0.20 -0.44 0.09 0.00 0.00 178.44 179.62 1p9j s SER 11 N -6.88 2.27 0.74 -0.43 0.01 -1.26 -4.99 113.70 103.16 1p9j s SER 11 Ca -0.06 0.95 -0.15 0.00 1.31 0.00 0.00 55.95 57.99 1p9j s SER 11 Cb 0.12 -1.46 0.04 0.00 0.21 0.00 0.00 66.02 64.93 1p9j s SER 11 CO 0.81 -3.32 1.15 1.41 0.41 0.00 0.00 173.24 173.70 1p9j n HIS 12 N -4.27 1.25 -2.20 2.43 8.25 -1.26 -4.93 115.22 114.49 1p9j n HIS 12 Ca 0.08 0.41 -0.36 0.00 -0.26 0.00 0.00 57.72 57.58 1p9j n HIS 12 Cb 0.58 -2.14 0.00 0.00 1.12 0.00 0.00 29.99 29.56 1p9j n HIS 12 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1p9j s ASP 13 N -1.78 5.82 0.00 0.41 -4.77 -1.26 -4.90 116.67 110.20 1p9j s ASP 13 Ca 0.76 2.29 0.00 0.00 -3.30 0.00 0.00 52.55 52.30 1p9j s ASP 13 Cb -0.33 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.90 1p9j s ASP 13 CO 0.48 -1.15 0.00 0.61 0.70 0.00 0.00 175.17 175.81 1p9j n GLY 14 N 0.35 0.53 0.11 2.12 0.00 -1.26 -5.01 105.19 102.03 1p9j n GLY 14 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.23 0.87 -3.87 1.61 9.36 -1.26 -4.88 117.16 118.77 1p9j n TYR 15 Ca 0.00 0.38 -0.36 0.00 3.32 0.00 0.00 57.90 61.24 1p9j n TYR 15 Cb 0.00 -1.06 -0.08 0.00 -0.63 0.00 0.00 39.34 37.58 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 -0.27 0.88 -1.36 0.00 2.34 -1.26 -4.84 118.68 114.17 1p9j s LEU 17 Ca 0.10 -1.25 -0.08 0.00 0.06 0.00 0.00 54.13 52.96 1p9j s LEU 17 Cb -0.12 0.93 0.02 0.00 -0.56 0.00 0.00 46.19 46.46 1p9j s LEU 17 CO 0.01 -0.98 1.10 1.57 -1.06 0.00 0.00 176.35 176.99 1p9j n HIS 18 N -0.34 -2.63 -1.98 3.48 -0.00 -1.26 -1.95 115.22 110.55 1p9j n HIS 18 Ca 0.01 0.98 -0.05 0.00 -0.00 0.00 0.00 57.72 58.66 1p9j n HIS 18 Cb 0.64 -4.85 -0.00 0.00 -0.00 0.00 0.00 29.99 25.78 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1p9j n ASP 19 N -3.01 -2.40 -4.73 0.26 9.92 -1.26 -4.75 116.55 110.58 1p9j n ASP 19 Ca -0.05 0.01 -0.39 0.00 -0.53 0.00 0.00 54.79 53.83 1p9j n ASP 19 Cb 0.58 -1.59 -0.05 0.00 -0.64 0.00 0.00 41.12 39.41 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 -2.79 2.55 -0.40 0.44 0.00 -0.82 -4.18 107.32 102.13 1p9j s GLY 20 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 1p9j s GLY 20 CO 0.00 0.92 0.21 0.14 0.00 0.00 0.00 173.10 174.37 1p9j s VAL 21 N 0.42 3.90 0.12 1.40 1.01 0.66 -4.29 120.40 123.63 1p9j s VAL 21 Ca 0.32 -1.49 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 1p9j s VAL 21 Cb -0.17 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1p9j s VAL 21 CO 0.15 -0.47 0.61 0.00 0.00 0.00 0.00 175.10 175.40 1p9j s MET 23 N -1.45 0.65 -0.31 0.00 -1.94 -0.15 -3.43 119.30 112.67 1p9j s MET 23 Ca 0.34 -0.81 -0.08 0.00 -1.71 0.00 0.00 55.69 53.44 1p9j s MET 23 Cb -0.18 -1.92 0.01 0.00 2.01 0.00 0.00 34.83 34.75 1p9j s MET 23 CO 0.20 -0.88 0.11 -0.47 -0.01 0.00 0.00 175.02 173.97 1p9j s TYR 24 N 1.75 3.17 -0.44 -0.03 6.14 -1.26 -2.06 117.35 124.62 1p9j s TYR 24 Ca 0.06 -0.95 -0.11 0.00 0.64 0.00 0.00 57.07 56.71 1p9j s TYR 24 Cb -0.17 -2.29 0.08 0.00 0.42 0.00 0.00 41.96 40.00 1p9j s TYR 24 CO -0.21 -0.58 0.32 0.42 0.64 0.00 0.00 175.55 176.14 1p9j s ILE 25 N 1.52 4.56 0.39 3.14 1.09 -1.26 -1.99 121.20 128.65 1p9j s ILE 25 Ca 0.02 -1.34 0.10 0.00 -1.10 0.00 0.00 60.65 58.33 1p9j s ILE 25 Cb -0.18 -3.80 0.15 0.00 -1.06 0.00 0.00 42.46 37.58 1p9j s ILE 25 CO 0.04 -0.57 1.91 -0.08 -0.10 0.00 0.00 174.94 176.13 1p9j h GLU 26 N 8.53 0.22 -0.94 2.79 4.57 -1.91 0.27 114.58 128.11 1p9j h GLU 26 Ca -0.25 -0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.11 1p9j h GLU 26 Cb 1.09 -0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.53 1p9j h GLU 26 CO 0.81 0.38 0.49 0.00 -1.18 0.00 0.00 179.01 179.51 1p9j h ALA 27 N 1.64 1.60 0.05 2.92 0.00 -1.84 -3.01 119.26 120.62 1p9j h ALA 27 Ca 0.04 0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.71 1p9j h ALA 27 Cb 0.40 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1p9j h ALA 27 CO 0.02 -0.30 -2.22 1.28 0.00 0.00 0.00 179.25 178.03 1p9j n LEU 28 N -4.96 2.68 -0.58 0.00 4.77 -0.96 -4.60 117.00 113.35 1p9j n LEU 28 Ca 0.24 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.23 1p9j n LEU 28 Cb 0.69 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1p9j n LEU 28 CO 0.15 0.83 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.29 1p9j n ASP 29 N -3.52 -3.61 -4.27 -1.43 2.03 0.05 -5.03 116.55 100.75 1p9j n ASP 29 Ca -0.41 0.14 -0.33 0.00 0.52 0.00 0.00 54.79 54.71 1p9j n ASP 29 Cb 0.98 -1.95 -0.15 0.00 -0.72 0.00 0.00 41.12 39.28 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 -2.91 3.24 0.28 -0.67 -0.14 -1.25 -5.02 119.74 113.28 1p9j s LYS 30 Ca 0.00 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 1p9j s LYS 30 Cb 0.00 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 1p9j s LYS 30 CO 0.00 -0.02 0.13 1.52 -0.76 0.00 0.00 175.35 176.21 1p9j s TYR 31 N 0.94 1.56 0.10 3.18 1.13 -1.26 -4.01 117.35 118.98 1p9j s TYR 31 Ca -0.03 -1.27 -0.14 0.00 -1.41 0.00 0.00 57.07 54.22 1p9j s TYR 31 Cb -0.15 -0.88 0.02 0.00 -1.10 0.00 0.00 41.96 39.85 1p9j s TYR 31 CO -0.02 -0.42 0.33 0.00 -2.51 0.00 0.00 175.55 172.93 1p9j s ALA 32 N -3.69 -0.69 -0.11 9.51 0.00 -0.87 -5.03 121.76 120.87 1p9j s ALA 32 Ca 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1p9j s ALA 32 Cb 0.06 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1p9j s ALA 32 CO 0.15 -0.55 -0.11 0.00 0.00 0.00 0.00 175.76 175.25 1p9j s ASN 34 N 1.40 6.32 0.43 0.00 2.47 0.15 -4.91 114.94 120.79 1p9j s ASN 34 Ca 0.00 0.31 0.04 0.00 0.42 0.00 0.00 52.86 53.64 1p9j s ASN 34 Cb -0.13 -1.96 -0.05 0.00 -1.45 0.00 0.00 41.25 37.65 1p9j s ASN 34 CO -0.06 0.24 0.02 0.00 -3.72 0.00 0.00 177.10 173.58 1p9j s VAL 36 N -2.89 3.61 -0.11 0.00 -7.23 -1.26 -4.99 120.40 107.53 1p9j s VAL 36 Ca 0.25 -0.48 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 1p9j s VAL 36 Cb 0.06 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 1p9j s VAL 36 CO 0.12 -0.26 0.74 -0.69 -0.31 0.00 0.00 175.10 174.71 1p9j s VAL 37 N -2.66 4.98 0.00 1.32 1.01 -1.26 -3.58 120.40 120.22 1p9j s VAL 37 Ca 0.51 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1p9j s VAL 37 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1p9j s VAL 37 CO 0.39 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1p9j n GLY 38 N 3.29 1.22 2.79 4.51 0.00 -1.26 -5.03 105.19 110.71 1p9j n GLY 38 Ca 0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 0.47 0.31 1.61 1.51 -1.23 -0.41 117.35 117.60 1p9j s TYR 39 Ca 0.00 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1p9j s TYR 39 Cb 0.00 -0.59 -0.06 0.00 -0.11 0.00 0.00 41.96 41.20 1p9j s TYR 39 CO 0.00 -0.21 0.02 0.96 -1.11 0.00 0.00 175.55 175.21 1p9j s ILE 40 N 1.48 1.34 0.00 2.71 -4.36 0.32 -4.86 121.20 117.82 1p9j s ILE 40 Ca -0.03 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 1p9j s ILE 40 Cb -0.13 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1p9j s ILE 40 CO -0.03 -0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1p9j n GLY 41 N -0.65 -0.06 0.34 6.27 0.00 -1.26 -1.67 105.19 108.16 1p9j n GLY 41 Ca -0.03 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 1p9j n GLY 41 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p9j h GLU 42 N 0.00 1.15 -0.99 1.61 4.57 -2.00 -2.30 114.58 116.61 1p9j h GLU 42 Ca 0.00 -0.07 -0.50 0.00 -1.18 0.00 0.00 59.36 57.61 1p9j h GLU 42 Cb 0.00 -0.26 -0.30 0.00 -0.16 0.00 0.00 28.75 28.03 1p9j h GLU 42 CO 0.00 0.76 0.64 2.89 -1.18 0.00 0.00 179.01 182.12 1p9j n ARG 43 N -4.49 2.31 -2.39 1.92 1.85 -1.26 -4.90 116.66 109.69 1p9j n ARG 43 Ca 0.11 -3.00 -0.18 0.00 -1.00 0.00 0.00 57.85 53.79 1p9j n ARG 43 Cb 0.06 -2.18 -0.01 0.00 -1.05 0.00 0.00 32.46 29.28 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p9j h GLN 45 N 0.00 0.09 -5.93 0.00 5.75 -1.72 -3.45 115.11 109.85 1p9j h GLN 45 Ca -0.42 -0.15 -0.60 0.00 -0.15 0.00 0.00 58.65 57.33 1p9j h GLN 45 Cb 1.31 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.85 1p9j h GLN 45 CO 0.50 1.07 -0.18 0.71 -2.65 0.00 0.00 178.83 178.28 1p9j s TYR 46 N -2.33 3.67 -0.10 3.99 1.51 -0.67 -4.94 117.35 118.48 1p9j s TYR 46 Ca -0.21 0.97 -0.09 0.00 -1.01 0.00 0.00 57.07 56.72 1p9j s TYR 46 Cb 0.01 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1p9j s TYR 46 CO 0.70 0.50 0.21 1.03 -1.11 0.00 0.00 175.55 176.88 1p9j s ARG 47 N -0.59 3.64 -0.74 -0.62 3.00 -1.26 -0.52 118.95 121.86 1p9j s ARG 47 Ca 0.24 0.01 -0.07 0.00 0.00 0.00 0.00 55.73 55.91 1p9j s ARG 47 Cb -0.16 -3.22 0.19 0.00 0.00 0.00 0.00 34.95 31.76 1p9j s ARG 47 CO 0.13 0.70 0.61 0.34 0.00 0.00 0.00 175.30 177.08 1p9j s ASP 48 N -0.89 5.93 -0.09 0.23 2.15 0.45 -4.91 116.67 119.54 1p9j s ASP 48 Ca 0.17 -2.89 0.06 0.00 0.43 0.00 0.00 52.55 50.32 1p9j s ASP 48 Cb -0.13 -2.00 0.35 0.00 -0.30 0.00 0.00 42.92 40.83 1p9j s ASP 48 CO 0.06 -0.43 1.05 0.18 -0.17 0.00 0.00 175.17 175.87 1p9j n LEU 49 N 3.54 2.94 -0.01 -1.34 4.77 -1.26 -3.98 117.00 121.67 1p9j n LEU 49 Ca 0.12 -1.49 -0.18 0.00 -0.03 0.00 0.00 56.01 54.43 1p9j n LEU 49 Cb 0.41 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1p9j n LEU 49 CO 0.34 0.41 0.24 0.11 -1.33 0.00 0.00 177.39 177.17 1p9j h LYS 50 N 1.74 0.76 0.05 3.23 6.56 -1.92 -3.20 116.57 123.78 1p9j h LYS 50 Ca 0.00 -0.65 -0.23 0.00 -1.06 0.00 0.00 60.65 58.71 1p9j h LYS 50 Cb 1.09 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.87 1p9j h LYS 50 CO 0.20 1.25 -1.08 0.11 -2.06 0.00 0.00 179.45 177.86 1p9j h TRP 51 N 0.47 0.18 -0.56 -1.35 5.08 -2.00 -3.24 115.95 114.53 1p9j h TRP 51 Ca -0.06 -0.13 0.03 0.00 1.08 0.00 0.00 58.89 59.81 1p9j h TRP 51 Cb 1.43 -0.01 -0.04 0.00 -3.00 0.00 0.00 29.16 27.55 1p9j h TRP 51 CO 0.09 1.10 0.34 -1.49 -1.28 0.00 0.00 178.44 177.20 1p9j h TRP 52 N 0.03 0.63 -2.15 0.12 4.06 -1.81 -2.85 115.95 113.97 1p9j h TRP 52 Ca -0.05 0.02 -0.65 0.00 2.06 0.00 0.00 58.89 60.26 1p9j h TRP 52 Cb 1.84 -0.20 -0.38 0.00 -1.00 0.00 0.00 29.16 29.42 1p9j h TRP 52 CO 0.02 0.35 -0.16 0.39 -3.56 0.00 0.00 178.44 175.48 1p9j n GLU 53 N -4.77 3.76 0.00 0.49 1.02 -1.21 -5.16 120.64 114.76 1p9j n GLU 53 Ca 0.05 -4.69 0.09 0.00 -0.02 0.00 0.00 57.16 52.58 1p9j n GLU 53 Cb 0.09 -2.30 0.07 0.00 -0.02 0.00 0.00 31.44 29.28 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20