#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 -0.15 -0.94 1.55 1.01 -1.26 -5.04 120.40 115.57 1p9j s VAL 2 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1p9j s VAL 2 Cb 0.00 -0.62 0.33 0.00 0.00 0.00 0.00 36.38 36.09 1p9j s VAL 2 CO 0.00 -0.28 1.93 -0.24 0.00 0.00 0.00 175.10 176.51 1p9j n SER 3 N 5.29 7.45 -4.33 3.32 2.88 -1.26 -4.96 113.62 122.02 1p9j n SER 3 Ca -0.07 -3.76 -0.18 0.00 -1.33 0.00 0.00 58.87 53.53 1p9j n SER 3 Cb 0.49 -1.12 -0.10 0.00 -0.75 0.00 0.00 64.21 62.72 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 -4.19 1.66 -0.17 0.66 0.09 -1.26 -5.14 115.29 106.94 1p9j s HIS 4 Ca 0.46 -0.58 -0.08 0.00 -0.00 0.00 0.00 55.06 54.86 1p9j s HIS 4 Cb 0.31 -0.79 -0.05 0.00 -0.00 0.00 0.00 32.58 32.06 1p9j s HIS 4 CO -0.27 0.31 0.12 -0.06 -0.00 0.00 0.00 174.74 174.84 1p9j s PHE 5 N -2.83 3.43 0.10 1.40 0.40 -1.26 -5.07 117.98 114.15 1p9j s PHE 5 Ca 0.20 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.90 1p9j s PHE 5 Cb -0.01 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1p9j s PHE 5 CO 0.06 0.41 0.13 -0.80 0.70 0.00 0.00 175.22 175.72 1p9j s ASN 6 N -0.10 5.76 -0.15 1.36 -0.87 -1.26 -5.09 114.94 114.59 1p9j s ASN 6 Ca 0.10 0.03 -0.18 0.00 -1.57 0.00 0.00 52.86 51.24 1p9j s ASN 6 Cb -0.11 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.25 39.47 1p9j s ASN 6 CO 0.00 0.14 0.49 -1.81 -2.57 0.00 0.00 177.10 173.35 1p9j s ASP 7 N -2.64 6.63 0.20 -1.22 1.01 -1.26 -4.73 116.67 114.66 1p9j s ASP 7 Ca 0.31 0.75 -0.02 0.00 0.71 0.00 0.00 52.55 54.31 1p9j s ASP 7 Cb -0.12 -2.29 0.15 0.00 1.01 0.00 0.00 42.92 41.68 1p9j s ASP 7 CO 0.24 -0.06 1.53 0.00 0.21 0.00 0.00 175.17 177.09 1p9j h PRO 9 N 0.40 0.11 -0.09 0.00 0.11 -1.93 -3.20 132.00 127.40 1p9j h PRO 9 Ca 0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1p9j h PRO 9 Cb 1.06 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1p9j h PRO 9 CO 0.10 0.42 -0.14 1.25 -0.21 0.00 0.00 178.00 179.41 1p9j h LEU 10 N 0.10 0.27-10.47 2.35 5.85 -1.95 -3.46 115.31 108.00 1p9j h LEU 10 Ca 0.01 -0.54 -0.46 0.00 0.84 0.00 0.00 57.88 57.73 1p9j h LEU 10 Cb 0.61 -0.08 0.13 0.00 0.37 0.00 0.00 40.66 41.70 1p9j h LEU 10 CO 0.04 0.76 0.28 -0.55 -0.34 0.00 0.00 178.44 178.64 1p9j s SER 11 N -6.08 3.36 -0.30 1.25 0.15 -0.47 -5.01 113.70 106.61 1p9j s SER 11 Ca -0.15 0.99 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 1p9j s SER 11 Cb 0.04 -1.58 -0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1p9j s SER 11 CO 0.74 -2.65 0.71 -2.28 1.20 0.00 0.00 173.24 170.96 1p9j s HIS 12 N -3.23 3.22 0.69 3.44 2.46 -1.26 -4.88 115.29 115.72 1p9j s HIS 12 Ca 0.64 0.72 -0.11 0.00 0.47 0.00 0.00 55.06 56.78 1p9j s HIS 12 Cb -0.15 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.22 1p9j s HIS 12 CO 0.54 -0.50 1.06 0.16 -2.47 0.00 0.00 174.74 173.53 1p9j s ASP 13 N 1.61 5.53 0.22 9.88 -4.77 -1.26 -4.96 116.67 122.92 1p9j s ASP 13 Ca 0.29 1.39 0.00 0.00 -3.30 0.00 0.00 52.55 50.93 1p9j s ASP 13 Cb -0.15 -2.28 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1p9j s ASP 13 CO 0.12 -1.32 0.00 0.61 0.70 0.00 0.00 175.17 175.28 1p9j n GLY 14 N -2.49 -1.80 0.11 2.12 0.00 -1.26 -5.03 105.19 96.84 1p9j n GLY 14 Ca 0.07 0.47 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 1p9j n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1p9j h TYR 15 N 0.00 0.35 -3.03 1.61 3.20 -2.00 -3.43 116.97 113.67 1p9j h TYR 15 Ca 0.00 -0.19 -0.64 0.00 3.14 0.00 0.00 58.73 61.04 1p9j h TYR 15 Cb 0.00 -0.04 -0.15 0.00 1.54 0.00 0.00 36.73 38.08 1p9j h TYR 15 CO 0.00 0.99 0.40 0.00 -1.64 0.00 0.00 178.16 177.90 1p9j s LEU 17 N 3.56 3.70 -2.12 0.00 2.34 -1.26 -3.93 118.68 120.98 1p9j s LEU 17 Ca 0.23 0.45 0.00 0.00 0.06 0.00 0.00 54.13 54.86 1p9j s LEU 17 Cb -0.16 -3.33 0.00 0.00 -0.56 0.00 0.00 46.19 42.14 1p9j s LEU 17 CO 0.14 -0.61 0.00 1.57 -1.06 0.00 0.00 176.35 176.38 1p9j n HIS 18 N -2.07 -0.18 -1.92 3.48 -0.00 -1.26 -3.78 115.22 109.49 1p9j n HIS 18 Ca -0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 1p9j n HIS 18 Cb 0.57 -3.54 0.00 0.00 -0.12 0.00 0.00 29.99 26.90 1p9j n HIS 18 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1p9j n ASP 19 N -1.46 -3.86 -4.45 0.26 2.03 -1.26 -5.12 116.55 102.69 1p9j n ASP 19 Ca -0.21 0.17 -0.20 0.00 0.52 0.00 0.00 54.79 55.07 1p9j n ASP 19 Cb 0.68 -2.37 0.02 0.00 -0.72 0.00 0.00 41.12 38.73 1p9j n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p9j n GLY 20 N -0.43 2.51 3.42 0.27 0.00 -1.25 -5.07 105.19 104.65 1p9j n GLY 20 Ca 0.04 -2.26 -0.44 0.00 0.00 0.00 0.00 46.02 43.36 1p9j n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p9j s VAL 21 N -2.25 4.64 0.02 1.61 1.01 -0.99 -4.86 120.40 119.57 1p9j s VAL 21 Ca 0.35 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1p9j s VAL 21 Cb -0.03 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 1p9j s VAL 21 CO 0.22 -1.18 0.43 0.00 0.00 0.00 0.00 175.10 174.58 1p9j s MET 23 N -1.13 0.16 -0.08 0.00 -1.94 -0.02 -3.99 119.30 112.30 1p9j s MET 23 Ca 0.25 0.24 0.03 0.00 -1.71 0.00 0.00 55.69 54.51 1p9j s MET 23 Cb -0.17 -0.60 0.01 0.00 2.01 0.00 0.00 34.83 36.08 1p9j s MET 23 CO 0.14 -0.27 -0.18 -0.47 -0.01 0.00 0.00 175.02 174.23 1p9j s TYR 24 N 1.82 2.01 -0.22 -0.03 5.04 -1.26 -1.06 117.35 123.65 1p9j s TYR 24 Ca 0.01 -0.77 0.02 0.00 -2.44 0.00 0.00 57.07 53.89 1p9j s TYR 24 Cb -0.12 -1.39 0.04 0.00 0.35 0.00 0.00 41.96 40.84 1p9j s TYR 24 CO -0.03 -0.33 -0.15 0.96 -1.34 0.00 0.00 175.55 174.65 1p9j s ILE 25 N 0.44 2.09 0.39 3.14 -0.00 -1.25 -4.94 121.20 121.07 1p9j s ILE 25 Ca -0.15 -1.27 0.25 0.00 -0.00 0.00 0.00 60.65 59.47 1p9j s ILE 25 Cb -0.16 -2.05 0.26 0.00 -0.00 0.00 0.00 42.46 40.51 1p9j s ILE 25 CO 0.06 0.25 2.03 1.05 -0.00 0.00 0.00 174.94 178.33 1p9j h GLU 26 N 7.86 0.00 -0.73 0.37 -0.00 -1.96 0.14 114.58 120.26 1p9j h GLU 26 Ca -0.32 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.10 1p9j h GLU 26 Cb 1.09 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.78 1p9j h GLU 26 CO 0.55 0.15 0.42 0.00 -0.00 0.00 0.00 179.01 180.13 1p9j h ALA 27 N 1.85 0.99 0.12 1.06 0.00 -1.99 -3.22 119.26 118.07 1p9j h ALA 27 Ca -0.00 0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.56 1p9j h ALA 27 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1p9j h ALA 27 CO 0.02 0.10 -1.94 -0.07 0.00 0.00 0.00 179.25 177.36 1p9j h LEU 28 N 0.76 0.41 0.42 0.00 3.38 -1.80 -3.44 115.31 115.05 1p9j h LEU 28 Ca 0.33 -0.88 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 1p9j h LEU 28 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1p9j h LEU 28 CO -0.19 1.79 -0.08 -0.67 0.09 0.00 0.00 178.44 179.38 1p9j n ASP 29 N -3.46 -1.98 -4.42 -0.43 2.03 0.44 -5.06 116.55 103.66 1p9j n ASP 29 Ca -0.30 0.01 -0.30 0.00 0.52 0.00 0.00 54.79 54.73 1p9j n ASP 29 Cb 1.05 -1.19 -0.13 0.00 -0.72 0.00 0.00 41.12 40.14 1p9j n ASP 29 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1p9j s LYS 30 N -3.91 1.68 -0.12 -0.67 0.00 -1.25 -5.03 119.74 110.43 1p9j s LYS 30 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 55.97 54.73 1p9j s LYS 30 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 37.83 35.78 1p9j s LYS 30 CO 0.00 0.48 0.01 0.71 0.00 0.00 0.00 175.35 176.55 1p9j s TYR 31 N -1.03 3.16 -0.01 1.78 1.51 -1.26 -3.95 117.35 117.54 1p9j s TYR 31 Ca 0.15 0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1p9j s TYR 31 Cb -0.10 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1p9j s TYR 31 CO 0.07 0.28 -0.08 0.00 -1.11 0.00 0.00 175.55 174.70 1p9j s ALA 32 N -0.31 0.75 -0.16 3.71 0.00 -0.23 -5.02 121.76 120.50 1p9j s ALA 32 Ca 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1p9j s ALA 32 Cb -0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1p9j s ALA 32 CO 0.02 0.16 -0.14 0.00 0.00 0.00 0.00 175.76 175.80 1p9j s ASN 34 N 0.80 3.27 0.28 0.00 -0.87 0.49 -5.00 114.94 113.92 1p9j s ASN 34 Ca -0.05 -0.43 0.07 0.00 -1.57 0.00 0.00 52.86 50.88 1p9j s ASN 34 Cb -0.15 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.25 40.37 1p9j s ASN 34 CO 0.00 0.29 0.26 0.00 -2.57 0.00 0.00 177.10 175.08 1p9j s VAL 36 N -2.18 3.48 0.03 0.00 1.01 -1.26 -5.02 120.40 116.47 1p9j s VAL 36 Ca 0.36 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1p9j s VAL 36 Cb -0.07 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1p9j s VAL 36 CO 0.26 -0.63 1.20 0.54 0.00 0.00 0.00 175.10 176.47 1p9j s VAL 37 N -3.28 4.11 0.00 2.92 0.11 -1.26 -2.91 120.40 120.09 1p9j s VAL 37 Ca 0.59 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 61.13 1p9j s VAL 37 Cb -0.12 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1p9j s VAL 37 CO 0.53 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1p9j n GLY 38 N 3.26 0.65 2.89 6.54 0.00 -1.26 -5.03 105.19 112.24 1p9j n GLY 38 Ca 0.09 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 0.58 0.33 1.61 1.51 -1.14 -1.46 117.35 116.77 1p9j s TYR 39 Ca 0.00 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1p9j s TYR 39 Cb 0.00 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1p9j s TYR 39 CO 0.00 -0.14 0.08 0.96 -1.11 0.00 0.00 175.55 175.35 1p9j s ILE 40 N 0.73 0.93 0.00 2.71 -4.36 0.22 -4.64 121.20 116.78 1p9j s ILE 40 Ca -0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1p9j s ILE 40 Cb -0.12 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.92 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 -0.68 1.36 0.32 6.27 0.00 -1.26 -2.00 105.19 109.19 1p9j n GLY 41 Ca -0.02 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 0.99 -0.08 1.61 4.39 -1.98 -2.11 114.58 117.40 1p9j h GLU 42 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1p9j h GLU 42 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1p9j h GLU 42 CO 0.00 0.86 0.00 2.89 -1.16 0.00 0.00 179.01 181.60 1p9j n ARG 43 N -4.26 1.35 -3.36 2.33 1.85 -1.26 -4.80 116.66 108.51 1p9j n ARG 43 Ca 0.05 -0.53 -0.18 0.00 -1.00 0.00 0.00 57.85 56.19 1p9j n ARG 43 Cb 0.23 -1.34 0.07 0.00 -1.05 0.00 0.00 32.46 30.37 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p9j n GLN 45 N -3.54 0.60 -3.11 0.00 6.02 -1.08 -4.88 117.38 111.40 1p9j n GLN 45 Ca -0.11 0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 1p9j n GLN 45 Cb 0.63 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.61 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1p9j s TYR 46 N -2.22 3.40 0.02 1.08 2.02 -0.85 -4.87 117.35 115.93 1p9j s TYR 46 Ca -0.13 0.97 -0.07 0.00 -0.37 0.00 0.00 57.07 57.47 1p9j s TYR 46 Cb 0.04 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.75 1p9j s TYR 46 CO 0.27 -0.14 0.29 0.50 -1.57 0.00 0.00 175.55 174.91 1p9j s ARG 47 N 1.75 3.62 -0.17 -0.62 3.52 -1.26 -0.61 118.95 125.18 1p9j s ARG 47 Ca 0.30 -0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.60 1p9j s ARG 47 Cb -0.16 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1p9j s ARG 47 CO 0.11 0.64 0.99 -0.51 -0.81 0.00 0.00 175.30 175.72 1p9j s ASP 48 N -1.67 7.14 0.00 -2.12 1.11 -0.54 -4.92 116.67 115.67 1p9j s ASP 48 Ca 0.28 1.41 0.26 0.00 0.18 0.00 0.00 52.55 54.68 1p9j s ASP 48 Cb -0.13 -2.53 0.73 0.00 1.07 0.00 0.00 42.92 42.05 1p9j s ASP 48 CO 0.16 -0.54 1.55 0.18 1.18 0.00 0.00 175.17 177.70 1p9j n LEU 49 N 5.61 0.96 0.12 1.23 4.32 -1.26 -4.75 117.00 123.24 1p9j n LEU 49 Ca 0.09 -0.23 -0.13 0.00 -0.02 0.00 0.00 56.01 55.72 1p9j n LEU 49 Cb 0.48 -0.14 -0.07 0.00 -1.62 0.00 0.00 43.42 42.07 1p9j n LEU 49 CO 0.51 0.18 0.77 0.11 -1.22 0.00 0.00 177.39 177.75 1p9j h LYS 50 N 1.06 -0.30 0.00 3.23 6.56 -1.94 -1.63 116.57 123.54 1p9j h LYS 50 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1p9j h LYS 50 Cb 0.50 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1p9j h LYS 50 CO 0.00 -0.20 -0.12 0.11 -2.06 0.00 0.00 179.45 177.18 1p9j h TRP 51 N -0.32 0.00 0.11 -1.35 0.09 -2.04 -3.17 115.95 109.27 1p9j h TRP 51 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.89 58.70 1p9j h TRP 51 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 29.16 29.55 1p9j h TRP 51 CO -0.12 0.00 -1.20 -1.49 0.09 0.00 0.00 178.44 175.72 1p9j h TRP 52 N 0.00 0.79 -0.42 0.12 4.06 -1.79 -3.36 115.95 115.35 1p9j h TRP 52 Ca 0.00 -0.51 -0.44 0.00 2.06 0.00 0.00 58.89 60.00 1p9j h TRP 52 Cb 0.80 -0.06 -0.08 0.00 -1.00 0.00 0.00 29.16 28.82 1p9j h TRP 52 CO 0.00 1.36 1.07 -1.91 -3.56 0.00 0.00 178.44 175.41 1p9j n GLU 53 N -3.71 2.81 0.00 0.49 4.07 -0.65 -5.16 120.64 118.50 1p9j n GLU 53 Ca -0.11 -1.92 0.00 0.00 -0.06 0.00 0.00 57.16 55.07 1p9j n GLU 53 Cb 0.97 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 1p9j n GLU 53 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35