#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 1.13 0.00 1.55 0.11 -1.26 -4.27 120.40 117.66 1p9j s VAL 2 Ca 0.00 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1p9j s VAL 2 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1p9j s VAL 2 CO 0.00 0.34 0.00 -0.24 -3.33 0.00 0.00 175.10 171.87 1p9j n SER 3 N 3.34 0.19 -4.25 3.54 2.88 -1.26 -5.09 113.62 112.97 1p9j n SER 3 Ca -0.19 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.08 1p9j n SER 3 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 1p9j n SER 3 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1p9j s HIS 4 N -1.95 1.92 -0.11 0.66 0.00 -1.26 -5.13 115.29 109.42 1p9j s HIS 4 Ca 0.00 -0.37 -0.16 0.00 -3.00 0.00 0.00 55.06 51.53 1p9j s HIS 4 Cb 0.00 -1.19 -0.05 0.00 -4.00 0.00 0.00 32.58 27.34 1p9j s HIS 4 CO 0.00 0.03 0.39 0.12 -1.00 0.00 0.00 174.74 174.28 1p9j s PHE 5 N -0.65 3.53 -0.01 0.38 5.36 -1.26 -5.07 117.98 120.26 1p9j s PHE 5 Ca 0.08 0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1p9j s PHE 5 Cb -0.09 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1p9j s PHE 5 CO 0.00 0.30 0.06 -0.80 -1.46 0.00 0.00 175.22 173.32 1p9j s ASN 6 N 0.21 5.53 0.59 6.13 0.01 -1.26 -5.12 114.94 121.04 1p9j s ASN 6 Ca 0.22 0.11 0.09 0.00 -0.71 0.00 0.00 52.86 52.57 1p9j s ASN 6 Cb -0.14 -1.56 0.09 0.00 0.41 0.00 0.00 41.25 40.05 1p9j s ASN 6 CO 0.08 0.28 0.77 1.51 -1.51 0.00 0.00 177.10 178.23 1p9j s ASP 7 N -1.65 4.95 0.08 -1.22 -4.77 -1.26 -4.75 116.67 108.06 1p9j s ASP 7 Ca 0.21 -0.98 -0.30 0.00 -3.30 0.00 0.00 52.55 48.19 1p9j s ASP 7 Cb -0.12 0.47 -0.05 0.00 -1.09 0.00 0.00 42.92 42.13 1p9j s ASP 7 CO 0.12 -1.40 1.04 0.00 0.70 0.00 0.00 175.17 175.63 1p9j s PRO 9 N 0.40 1.41 0.28 0.00 0.04 -1.26 -4.96 135.00 130.91 1p9j s PRO 9 Ca 0.51 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.53 1p9j s PRO 9 Cb -0.25 -1.90 0.41 0.00 0.04 0.00 0.00 34.50 32.80 1p9j s PRO 9 CO 0.30 -1.95 1.74 1.25 0.04 0.00 0.00 177.00 178.38 1p9j h LEU 10 N -1.31 0.54-10.66 -3.56 5.85 -2.04 -3.45 115.31 100.67 1p9j h LEU 10 Ca -0.46 -0.17 -0.46 0.00 0.84 0.00 0.00 57.88 57.64 1p9j h LEU 10 Cb 1.30 -0.15 0.10 0.00 0.37 0.00 0.00 40.66 42.29 1p9j h LEU 10 CO 0.56 0.74 0.28 -0.94 -0.34 0.00 0.00 178.44 178.75 1p9j s SER 11 N -6.78 4.28 -0.02 1.25 1.04 -1.26 -4.91 113.70 107.30 1p9j s SER 11 Ca -0.07 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.67 1p9j s SER 11 Cb 0.14 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 1p9j s SER 11 CO 0.79 -1.96 0.07 1.57 0.98 0.00 0.00 173.24 174.69 1p9j n HIS 12 N -3.17 0.05 -4.32 5.02 -0.00 -1.26 -5.01 115.22 106.53 1p9j n HIS 12 Ca 0.11 0.03 -0.17 0.00 0.46 0.00 0.00 57.72 58.15 1p9j n HIS 12 Cb 0.60 -0.08 -0.10 0.00 -0.12 0.00 0.00 29.99 30.29 1p9j n HIS 12 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1p9j s ASP 13 N 0.16 2.14 0.00 0.26 -4.77 -1.26 -4.91 116.67 108.29 1p9j s ASP 13 Ca 0.04 -1.08 0.00 0.00 -3.30 0.00 0.00 52.55 48.21 1p9j s ASP 13 Cb -0.05 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.72 1p9j s ASP 13 CO 0.03 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.18 1p9j n GLY 14 N -0.34 0.80 0.10 2.12 0.00 -1.26 -5.04 105.19 101.56 1p9j n GLY 14 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.33 -3.41 1.61 3.20 -1.96 -3.46 116.97 113.28 1p9j h TYR 15 Ca 0.00 -0.23 -0.59 0.00 3.14 0.00 0.00 58.73 61.05 1p9j h TYR 15 Cb 0.00 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.16 1p9j h TYR 15 CO 0.00 1.15 0.13 0.00 -1.64 0.00 0.00 178.16 177.79 1p9j s LEU 17 N 1.84 3.24 -1.37 0.00 2.01 -0.91 -3.43 118.68 120.06 1p9j s LEU 17 Ca 0.30 1.39 -0.01 0.00 0.01 0.00 0.00 54.13 55.81 1p9j s LEU 17 Cb -0.16 -4.43 0.01 0.00 0.01 0.00 0.00 46.19 41.62 1p9j s LEU 17 CO 0.11 -0.87 0.58 1.41 1.01 0.00 0.00 176.35 178.59 1p9j n HIS 18 N -2.73 -1.80 -3.81 0.29 8.25 -1.26 -3.80 115.22 110.35 1p9j n HIS 18 Ca 0.06 0.80 -0.26 0.00 -0.26 0.00 0.00 57.72 58.05 1p9j n HIS 18 Cb 0.54 -4.05 0.00 0.00 1.12 0.00 0.00 29.99 27.60 1p9j n HIS 18 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1p9j n ASP 19 N -3.01 -4.82 -4.75 0.41 2.03 -1.25 -4.55 116.55 100.61 1p9j n ASP 19 Ca -0.28 -0.99 -0.40 0.00 0.52 0.00 0.00 54.79 53.63 1p9j n ASP 19 Cb 0.67 -1.71 -0.06 0.00 -0.72 0.00 0.00 41.12 39.30 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1p9j s GLY 20 N -3.04 3.12 -0.58 0.27 0.00 -1.22 -4.84 107.32 101.02 1p9j s GLY 20 Ca 0.05 0.62 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 1p9j s GLY 20 CO 0.90 1.20 1.05 0.14 0.00 0.00 0.00 173.10 176.39 1p9j s VAL 21 N -1.15 4.22 0.37 1.40 1.01 0.07 -4.79 120.40 121.53 1p9j s VAL 21 Ca 0.41 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1p9j s VAL 21 Cb -0.26 -4.64 -0.09 0.00 0.00 0.00 0.00 36.38 31.40 1p9j s VAL 21 CO 0.32 -1.26 0.79 0.00 0.00 0.00 0.00 175.10 174.95 1p9j s MET 23 N -3.27 0.43 -0.11 0.00 0.23 0.08 -2.45 119.30 114.21 1p9j s MET 23 Ca 0.55 0.69 -0.16 0.00 -1.03 0.00 0.00 55.69 55.74 1p9j s MET 23 Cb -0.10 -0.10 -0.05 0.00 -1.53 0.00 0.00 34.83 33.06 1p9j s MET 23 CO 0.21 -0.65 0.41 -0.47 -2.03 0.00 0.00 175.02 172.48 1p9j s TYR 24 N 2.66 3.54 -0.29 3.16 5.04 -1.26 -1.79 117.35 128.41 1p9j s TYR 24 Ca 0.16 0.83 0.03 0.00 -2.44 0.00 0.00 57.07 55.64 1p9j s TYR 24 Cb -0.15 -2.44 0.08 0.00 0.35 0.00 0.00 41.96 39.80 1p9j s TYR 24 CO -0.18 0.28 -0.02 0.42 -1.34 0.00 0.00 175.55 174.71 1p9j s ILE 25 N 0.25 1.94 0.27 3.14 1.09 -1.09 -4.83 121.20 121.97 1p9j s ILE 25 Ca 0.23 -1.79 0.00 0.00 -1.10 0.00 0.00 60.65 57.99 1p9j s ILE 25 Cb -0.15 -2.27 0.26 0.00 -1.06 0.00 0.00 42.46 39.24 1p9j s ILE 25 CO 0.09 -0.33 1.79 1.05 -0.10 0.00 0.00 174.94 177.45 1p9j h GLU 26 N 7.78 0.76 -0.70 2.79 4.11 -1.97 -0.58 114.58 126.78 1p9j h GLU 26 Ca -0.13 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 1p9j h GLU 26 Cb 1.04 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1p9j h GLU 26 CO 0.47 0.50 0.20 0.00 0.07 0.00 0.00 179.01 180.26 1p9j h ALA 27 N 1.55 0.91 0.00 1.06 0.00 -1.95 -3.06 119.26 117.77 1p9j h ALA 27 Ca 0.48 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1p9j h ALA 27 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1p9j h ALA 27 CO -0.32 0.61 -1.03 -0.07 0.00 0.00 0.00 179.25 178.43 1p9j h LEU 28 N 1.03 0.00 0.50 0.00 3.38 -1.63 -3.40 115.31 115.20 1p9j h LEU 28 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1p9j h LEU 28 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1p9j h LEU 28 CO -0.00 0.35 -0.11 -0.67 0.09 0.00 0.00 178.44 178.10 1p9j n ASP 29 N -2.90 -2.66 -4.26 -0.43 2.03 -0.27 -5.03 116.55 103.03 1p9j n ASP 29 Ca -0.04 0.04 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1p9j n ASP 29 Cb 0.71 -1.49 -0.10 0.00 -0.72 0.00 0.00 41.12 39.52 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 -3.54 1.09 0.26 -0.67 0.00 -1.24 -5.04 119.74 110.61 1p9j s LYS 30 Ca 0.00 -1.43 0.10 0.00 0.00 0.00 0.00 55.97 54.64 1p9j s LYS 30 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 37.83 37.05 1p9j s LYS 30 CO 0.00 0.11 -0.02 0.71 0.00 0.00 0.00 175.35 176.14 1p9j s TYR 31 N -3.07 2.66 0.18 1.78 2.02 -1.26 -2.68 117.35 116.98 1p9j s TYR 31 Ca 0.16 -0.23 -0.20 0.00 -0.37 0.00 0.00 57.07 56.43 1p9j s TYR 31 Cb 0.01 -1.18 0.04 0.00 -0.40 0.00 0.00 41.96 40.43 1p9j s TYR 31 CO 0.02 0.63 0.56 0.00 -1.57 0.00 0.00 175.55 175.18 1p9j s ALA 32 N -2.32 -1.23 -0.11 3.71 0.00 -0.74 -5.00 121.76 116.08 1p9j s ALA 32 Ca 0.31 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1p9j s ALA 32 Cb -0.06 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1p9j s ALA 32 CO 0.19 -0.80 -0.14 0.00 0.00 0.00 0.00 175.76 175.02 1p9j s ASN 34 N 1.11 6.61 0.38 0.00 2.47 0.17 -4.90 114.94 120.79 1p9j s ASN 34 Ca -0.04 0.72 0.08 0.00 0.42 0.00 0.00 52.86 54.04 1p9j s ASN 34 Cb -0.14 -2.19 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 1p9j s ASN 34 CO -0.03 0.30 0.34 0.00 -3.72 0.00 0.00 177.10 173.98 1p9j s VAL 36 N -2.41 4.17 0.21 0.00 1.01 -1.26 -4.95 120.40 117.16 1p9j s VAL 36 Ca 0.45 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1p9j s VAL 36 Cb -0.04 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1p9j s VAL 36 CO 0.27 -0.18 1.15 0.54 0.00 0.00 0.00 175.10 176.88 1p9j s VAL 37 N -1.98 3.63 0.00 2.92 0.11 -1.26 -3.48 120.40 120.34 1p9j s VAL 37 Ca 0.60 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 61.09 1p9j s VAL 37 Cb -0.14 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 1p9j s VAL 37 CO 0.18 0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 1p9j n GLY 38 N 1.90 0.59 3.16 6.54 0.00 -1.26 -5.05 105.19 111.07 1p9j n GLY 38 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 2.21 0.32 1.61 2.02 -1.23 -1.49 117.35 118.79 1p9j s TYR 39 Ca 0.00 -0.87 0.05 0.00 -0.37 0.00 0.00 57.07 55.88 1p9j s TYR 39 Cb 0.00 -1.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.99 1p9j s TYR 39 CO 0.00 -0.37 0.01 0.96 -1.57 0.00 0.00 175.55 174.58 1p9j s ILE 40 N 0.42 1.48 0.00 2.71 -4.36 0.13 -4.80 121.20 116.79 1p9j s ILE 40 Ca -0.17 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.18 1p9j s ILE 40 Cb -0.17 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1p9j s ILE 40 CO 0.07 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1p9j n GLY 41 N -0.70 1.24 0.06 6.27 0.00 -1.26 -1.70 105.19 109.11 1p9j n GLY 41 Ca -0.04 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.06 -0.88 1.61 4.39 -2.01 -2.44 114.58 115.19 1p9j h GLU 42 Ca 0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.31 1p9j h GLU 42 Cb 0.00 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 28.43 1p9j h GLU 42 CO 0.00 -0.04 0.49 2.89 -1.16 0.00 0.00 179.01 181.20 1p9j n ARG 43 N -5.11 2.75 -3.53 2.33 0.00 -1.26 -4.96 116.66 106.88 1p9j n ARG 43 Ca -0.07 -3.05 -0.21 0.00 -0.00 0.00 0.00 57.85 54.52 1p9j n ARG 43 Cb 0.05 -2.18 0.08 0.00 -0.00 0.00 0.00 32.46 30.42 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p9j h GLN 45 N -2.35 0.40 -6.25 0.00 4.20 -1.57 -3.39 115.11 106.14 1p9j h GLN 45 Ca -0.58 -0.49 -0.57 0.00 0.06 0.00 0.00 58.65 57.07 1p9j h GLN 45 Cb 1.36 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 29.19 1p9j h GLN 45 CO 0.53 1.16 -0.66 0.71 -0.67 0.00 0.00 178.83 179.91 1p9j s TYR 46 N -2.98 2.71 0.06 2.96 2.02 -0.92 -4.85 117.35 116.35 1p9j s TYR 46 Ca -0.13 -0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1p9j s TYR 46 Cb 0.03 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1p9j s TYR 46 CO 0.83 0.59 0.20 -0.98 -1.57 0.00 0.00 175.55 174.63 1p9j s ARG 47 N -3.46 3.41 -0.35 -0.62 1.70 -1.26 0.20 118.95 118.56 1p9j s ARG 47 Ca 0.30 -0.45 -0.19 0.00 -0.47 0.00 0.00 55.73 54.92 1p9j s ARG 47 Cb -0.07 -3.03 -0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1p9j s ARG 47 CO 0.19 0.61 0.57 0.34 -1.08 0.00 0.00 175.30 175.93 1p9j s ASP 48 N -2.46 6.37 0.00 -2.89 2.15 -0.56 -4.89 116.67 114.39 1p9j s ASP 48 Ca 0.34 0.05 0.25 0.00 0.43 0.00 0.00 52.55 53.62 1p9j s ASP 48 Cb -0.13 -2.29 0.56 0.00 -0.30 0.00 0.00 42.92 40.76 1p9j s ASP 48 CO 0.27 -0.53 1.45 -0.11 -0.17 0.00 0.00 175.17 176.08 1p9j n LEU 49 N 5.88 0.66 0.15 -1.34 7.94 -1.26 -4.52 117.00 124.50 1p9j n LEU 49 Ca -0.03 -0.09 0.05 0.00 -1.11 0.00 0.00 56.01 54.83 1p9j n LEU 49 Cb 0.49 -0.21 0.05 0.00 0.53 0.00 0.00 43.42 44.28 1p9j n LEU 49 CO 0.47 0.15 0.49 0.11 -1.11 0.00 0.00 177.39 177.50 1p9j h LYS 50 N 0.35 0.00 0.00 1.96 6.56 -1.96 -3.10 116.57 120.39 1p9j h LYS 50 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1p9j h LYS 50 Cb 0.50 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1p9j h LYS 50 CO 0.00 0.34 -0.11 0.11 -2.06 0.00 0.00 179.45 177.73 1p9j h TRP 51 N 0.00 0.00 -0.51 -1.35 5.08 -2.02 -3.32 115.95 113.84 1p9j h TRP 51 Ca -0.01 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.84 1p9j h TRP 51 Cb 1.29 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.43 1p9j h TRP 51 CO 0.00 0.09 -0.13 -1.49 -1.28 0.00 0.00 178.44 175.63 1p9j h TRP 52 N 0.00 1.10 -2.74 0.12 4.06 -1.85 -3.31 115.95 113.34 1p9j h TRP 52 Ca -0.00 -0.24 -0.77 0.00 2.06 0.00 0.00 58.89 59.94 1p9j h TRP 52 Cb 1.07 -0.27 -0.30 0.00 -1.00 0.00 0.00 29.16 28.66 1p9j h TRP 52 CO 0.00 1.05 0.56 -1.91 -3.56 0.00 0.00 178.44 174.58 1p9j n GLU 53 N -4.18 4.23 0.00 0.49 2.13 -1.25 -5.21 120.64 116.85 1p9j n GLU 53 Ca 0.01 -4.59 0.06 0.00 0.66 0.00 0.00 57.16 53.29 1p9j n GLU 53 Cb 0.41 -2.46 0.05 0.00 0.27 0.00 0.00 31.44 29.70 1p9j n GLU 53 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00