#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 5.09 0.32 3.34 1.01 -1.26 -4.44 120.40 124.45 1p9j s VAL 2 Ca 0.00 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.16 1p9j s VAL 2 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1p9j s VAL 2 CO 0.00 0.22 0.08 -0.44 0.00 0.00 0.00 175.10 174.96 1p9j s SER 3 N 0.92 2.13 -0.12 3.32 0.01 -1.26 -5.14 113.70 113.55 1p9j s SER 3 Ca 0.30 -1.42 -0.20 0.00 1.31 0.00 0.00 55.95 55.94 1p9j s SER 3 Cb -0.16 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 1p9j s SER 3 CO 0.12 -0.68 0.56 -2.28 0.41 0.00 0.00 173.24 171.37 1p9j s HIS 4 N -3.40 3.50 0.19 2.43 2.46 -1.26 -4.95 115.29 114.25 1p9j s HIS 4 Ca 0.35 0.97 0.05 0.00 0.47 0.00 0.00 55.06 56.91 1p9j s HIS 4 Cb 0.08 -2.66 -0.05 0.00 -0.13 0.00 0.00 32.58 29.82 1p9j s HIS 4 CO 0.15 0.07 -0.09 -0.06 -2.47 0.00 0.00 174.74 172.34 1p9j s PHE 5 N 0.95 1.47 -0.32 3.88 0.08 -1.26 -5.12 117.98 117.65 1p9j s PHE 5 Ca 0.29 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.62 1p9j s PHE 5 Cb -0.16 -0.76 0.09 0.00 -0.57 0.00 0.00 43.02 41.62 1p9j s PHE 5 CO 0.12 0.14 0.02 -0.80 -0.10 0.00 0.00 175.22 174.60 1p9j s ASN 6 N -3.25 4.76 -0.32 1.36 -0.87 -1.26 -4.81 114.94 110.56 1p9j s ASN 6 Ca 0.21 -1.85 0.05 0.00 -1.57 0.00 0.00 52.86 49.70 1p9j s ASN 6 Cb 0.02 -1.64 0.19 0.00 -0.02 0.00 0.00 41.25 39.81 1p9j s ASN 6 CO 0.04 -0.34 0.63 -0.62 -2.57 0.00 0.00 177.10 174.24 1p9j s ASP 7 N 1.11 -1.54 -0.26 -1.22 2.15 -1.26 -4.97 116.67 110.68 1p9j s ASP 7 Ca 0.04 -0.03 -0.04 0.00 0.43 0.00 0.00 52.55 52.95 1p9j s ASP 7 Cb -0.20 1.97 0.14 0.00 -0.30 0.00 0.00 42.92 44.53 1p9j s ASP 7 CO -0.06 -0.26 0.49 0.00 -0.17 0.00 0.00 175.17 175.17 1p9j s PRO 9 N 2.70 4.74 0.24 0.00 0.04 -1.26 -4.94 135.00 136.53 1p9j s PRO 9 Ca 0.08 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.80 1p9j s PRO 9 Cb -0.14 -3.25 0.24 0.00 0.04 0.00 0.00 34.50 31.39 1p9j s PRO 9 CO -0.17 0.34 1.55 -0.07 0.04 0.00 0.00 177.00 178.69 1p9j h LEU 10 N 4.20 0.23-10.40 -3.56 -0.00 -2.00 -3.46 115.31 100.31 1p9j h LEU 10 Ca -0.45 -0.13 -0.45 0.00 -0.00 0.00 0.00 57.88 56.84 1p9j h LEU 10 Cb 1.21 -0.07 0.16 0.00 -0.00 0.00 0.00 40.66 41.96 1p9j h LEU 10 CO 0.68 0.80 0.21 -0.55 -0.00 0.00 0.00 178.44 179.58 1p9j s SER 11 N -6.89 2.50 0.00 -0.43 0.15 -1.26 -4.40 113.70 103.37 1p9j s SER 11 Ca -0.03 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1p9j s SER 11 Cb 0.12 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1p9j s SER 11 CO 0.79 -3.19 0.00 1.57 1.20 0.00 0.00 173.24 173.62 1p9j n HIS 12 N -4.19 0.00 -1.44 3.44 -0.00 -1.26 -4.91 115.22 106.86 1p9j n HIS 12 Ca 0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.47 1p9j n HIS 12 Cb 0.58 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.65 1p9j n HIS 12 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1p9j s ASP 13 N 0.00 4.63 0.27 0.26 -4.77 -1.26 -4.95 116.67 110.85 1p9j s ASP 13 Ca 0.00 1.96 0.00 0.00 -3.30 0.00 0.00 52.55 51.21 1p9j s ASP 13 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1p9j s ASP 13 CO 0.00 -1.95 0.00 0.61 0.70 0.00 0.00 175.17 174.53 1p9j n GLY 14 N -0.72 -1.82 0.07 2.12 0.00 -1.26 -5.00 105.19 98.59 1p9j n GLY 14 Ca 0.10 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.02 -3.07 1.61 3.20 -2.02 -3.46 116.97 113.21 1p9j h TYR 15 Ca 0.00 -0.00 -0.60 0.00 3.14 0.00 0.00 58.73 61.27 1p9j h TYR 15 Cb 0.00 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1p9j h TYR 15 CO 0.00 0.70 -0.21 0.00 -1.64 0.00 0.00 178.16 177.01 1p9j s LEU 17 N -1.44 3.71 -1.41 0.00 2.01 -1.26 -4.57 118.68 115.72 1p9j s LEU 17 Ca 0.28 -0.14 -0.11 0.00 0.01 0.00 0.00 54.13 54.18 1p9j s LEU 17 Cb -0.16 -2.35 0.07 0.00 0.01 0.00 0.00 46.19 43.76 1p9j s LEU 17 CO 0.15 0.10 0.65 1.41 1.01 0.00 0.00 176.35 179.68 1p9j n HIS 18 N -0.05 -1.94 -3.47 0.29 8.25 -1.26 -3.18 115.22 113.87 1p9j n HIS 18 Ca -0.09 0.61 -0.19 0.00 -0.26 0.00 0.00 57.72 57.79 1p9j n HIS 18 Cb 0.54 -3.41 0.07 0.00 1.12 0.00 0.00 29.99 28.30 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 -2.48 -3.17 -4.57 0.41 8.00 -1.26 -4.91 116.55 108.58 1p9j n ASP 19 Ca -0.01 -0.72 -0.29 0.00 0.71 0.00 0.00 54.79 54.49 1p9j n ASP 19 Cb 0.54 -4.77 0.18 0.00 -0.02 0.00 0.00 41.12 37.05 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p9j s GLY 20 N -4.07 1.57 -0.57 0.44 0.00 -1.19 -4.94 107.32 98.57 1p9j s GLY 20 Ca 0.14 -0.54 -0.18 0.00 0.00 0.00 0.00 44.72 44.15 1p9j s GLY 20 CO 0.76 0.11 0.62 0.14 0.00 0.00 0.00 173.10 174.73 1p9j s VAL 21 N -3.09 4.99 0.07 1.40 1.01 0.23 -4.94 120.40 120.06 1p9j s VAL 21 Ca 0.66 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1p9j s VAL 21 Cb -0.16 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1p9j s VAL 21 CO 0.56 -1.02 0.22 0.00 0.00 0.00 0.00 175.10 174.86 1p9j s MET 23 N -2.59 1.81 -0.14 0.00 0.23 -0.97 -4.06 119.30 113.58 1p9j s MET 23 Ca 0.35 -1.06 -0.04 0.00 -1.03 0.00 0.00 55.69 53.91 1p9j s MET 23 Cb -0.13 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.72 1p9j s MET 23 CO 0.28 -0.84 -0.01 -0.47 -2.03 0.00 0.00 175.02 171.96 1p9j s TYR 24 N -3.30 3.11 -0.38 3.16 5.04 -1.26 -1.95 117.35 121.77 1p9j s TYR 24 Ca 0.13 -0.06 -0.11 0.00 -2.44 0.00 0.00 57.07 54.58 1p9j s TYR 24 Cb -0.05 -1.92 0.03 0.00 0.35 0.00 0.00 41.96 40.37 1p9j s TYR 24 CO 0.07 0.17 0.22 0.42 -1.34 0.00 0.00 175.55 175.09 1p9j s ILE 25 N -0.05 4.59 0.18 3.14 -1.09 0.20 -4.73 121.20 123.44 1p9j s ILE 25 Ca 0.03 -0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 57.41 1p9j s ILE 25 Cb -0.13 -3.59 0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1p9j s ILE 25 CO 0.02 -0.27 1.84 -0.33 -1.23 0.00 0.00 174.94 174.97 1p9j h GLU 26 N 8.45 0.72 0.00 2.79 5.08 -1.90 -0.47 114.58 129.25 1p9j h GLU 26 Ca -0.25 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1p9j h GLU 26 Cb 1.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1p9j h GLU 26 CO 0.68 0.47 -0.25 0.00 -1.00 0.00 0.00 179.01 178.91 1p9j h ALA 27 N 1.20 1.17 0.00 3.43 0.00 -1.95 -2.95 119.26 120.17 1p9j h ALA 27 Ca 0.20 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1p9j h ALA 27 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1p9j h ALA 27 CO -0.05 0.31 -1.24 -0.07 0.00 0.00 0.00 179.25 178.21 1p9j h LEU 28 N 0.00 0.00 0.00 0.00 4.07 -1.66 -3.40 115.31 114.32 1p9j h LEU 28 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1p9j h LEU 28 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1p9j h LEU 28 CO 0.03 0.50 0.00 -0.67 -1.08 0.00 0.00 178.44 177.22 1p9j n ASP 29 N -2.91 -2.27 -4.47 -0.43 2.03 -0.23 -5.00 116.55 103.28 1p9j n ASP 29 Ca -0.07 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.02 1p9j n ASP 29 Cb 0.79 -0.60 -0.11 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.15 1.67 0.30 -0.67 -0.14 -1.21 -4.92 119.74 114.63 1p9j s LYS 30 Ca 0.00 -1.92 0.09 0.00 -1.36 0.00 0.00 55.97 52.78 1p9j s LYS 30 Cb 0.00 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 1p9j s LYS 30 CO 0.00 -0.15 0.07 0.71 -0.76 0.00 0.00 175.35 175.23 1p9j s TYR 31 N -3.20 2.72 0.25 3.18 2.02 -1.26 -0.63 117.35 120.43 1p9j s TYR 31 Ca 0.35 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.59 1p9j s TYR 31 Cb 0.08 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1p9j s TYR 31 CO 0.15 0.48 0.56 0.00 -1.57 0.00 0.00 175.55 175.18 1p9j s ALA 32 N -2.37 -0.70 -0.08 3.71 0.00 -0.82 -4.94 121.76 116.56 1p9j s ALA 32 Ca 0.35 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1p9j s ALA 32 Cb -0.04 0.95 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1p9j s ALA 32 CO 0.21 -0.90 -0.14 0.00 0.00 0.00 0.00 175.76 174.93 1p9j s ASN 34 N 0.68 6.02 0.43 0.00 0.02 0.73 -4.94 114.94 117.88 1p9j s ASN 34 Ca -0.14 0.11 0.08 0.00 -1.02 0.00 0.00 52.86 51.89 1p9j s ASN 34 Cb -0.16 -1.75 -0.00 0.00 0.02 0.00 0.00 41.25 39.36 1p9j s ASN 34 CO 0.04 0.12 0.45 0.00 0.02 0.00 0.00 177.10 177.73 1p9j s VAL 36 N -2.46 4.84 0.17 0.00 -7.23 -1.26 -4.82 120.40 109.64 1p9j s VAL 36 Ca 0.50 0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 60.83 1p9j s VAL 36 Cb -0.05 -3.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.05 1p9j s VAL 36 CO 0.29 -0.58 1.10 0.54 -0.31 0.00 0.00 175.10 176.14 1p9j s VAL 37 N -2.43 3.92 0.00 1.32 0.11 -1.26 -4.01 120.40 118.05 1p9j s VAL 37 Ca 0.49 1.63 0.00 0.00 -2.93 0.00 0.00 61.98 61.18 1p9j s VAL 37 Cb -0.10 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.70 1p9j s VAL 37 CO 0.35 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 173.00 1p9j n GLY 38 N 2.12 1.80 3.16 6.54 0.00 -1.26 -5.06 105.19 112.50 1p9j n GLY 38 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 0.34 1.61 2.02 -1.26 -1.59 117.35 116.20 1p9j s TYR 39 Ca 0.00 0.66 0.03 0.00 -0.37 0.00 0.00 57.07 57.40 1p9j s TYR 39 Cb 0.00 0.10 -0.05 0.00 -0.40 0.00 0.00 41.96 41.61 1p9j s TYR 39 CO 0.00 -0.17 0.10 0.96 -1.57 0.00 0.00 175.55 174.87 1p9j s ILE 40 N -0.02 0.80 0.00 2.71 -4.36 0.17 -4.80 121.20 115.69 1p9j s ILE 40 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1p9j s ILE 40 Cb -0.02 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.09 1p9j s ILE 40 CO 0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.80 1p9j n GLY 41 N -0.71 0.48 0.05 6.27 0.00 -1.26 -1.89 105.19 108.12 1p9j n GLY 41 Ca -0.03 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 0.01 -0.57 1.61 4.81 -2.00 -2.36 114.58 116.09 1p9j h GLU 42 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1p9j h GLU 42 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1p9j h GLU 42 CO 0.00 0.07 0.00 2.89 -0.73 0.00 0.00 179.01 181.24 1p9j n ARG 43 N -5.05 4.83 -3.60 1.92 0.00 -1.26 -4.98 116.66 108.50 1p9j n ARG 43 Ca -0.07 -3.16 -0.21 0.00 -0.00 0.00 0.00 57.85 54.41 1p9j n ARG 43 Cb 0.06 -2.25 0.05 0.00 -0.00 0.00 0.00 32.46 30.31 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p9j n GLN 45 N -4.12 0.68 -2.92 0.00 6.02 -1.15 -4.66 117.38 111.24 1p9j n GLN 45 Ca -0.25 -0.15 -0.33 0.00 -0.01 0.00 0.00 57.00 56.25 1p9j n GLN 45 Cb 0.66 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 30.35 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 -3.24 3.38 -0.16 1.08 1.51 -0.79 -4.91 117.35 114.22 1p9j s TYR 46 Ca -0.08 1.51 -0.10 0.00 -1.01 0.00 0.00 57.07 57.38 1p9j s TYR 46 Cb 0.12 -2.76 -0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1p9j s TYR 46 CO 0.87 0.00 0.19 1.03 -1.11 0.00 0.00 175.55 176.53 1p9j s ARG 47 N -2.94 3.99 -0.28 -0.62 0.52 -1.26 -0.65 118.95 117.70 1p9j s ARG 47 Ca 0.58 -0.08 -0.21 0.00 -0.52 0.00 0.00 55.73 55.49 1p9j s ARG 47 Cb -0.11 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 1p9j s ARG 47 CO 0.16 0.44 0.69 0.34 0.02 0.00 0.00 175.30 176.94 1p9j s ASP 48 N -0.08 6.59 -0.08 0.23 -1.08 -0.62 -4.79 116.67 116.84 1p9j s ASP 48 Ca 0.13 0.63 0.06 0.00 -0.52 0.00 0.00 52.55 52.84 1p9j s ASP 48 Cb -0.12 -2.36 0.31 0.00 -1.46 0.00 0.00 42.92 39.29 1p9j s ASP 48 CO 0.02 -0.48 1.00 0.18 0.52 0.00 0.00 175.17 176.40 1p9j n LEU 49 N 5.92 2.71 0.27 -1.34 4.77 -1.26 -4.43 117.00 123.64 1p9j n LEU 49 Ca 0.01 -1.37 -0.16 0.00 -0.03 0.00 0.00 56.01 54.46 1p9j n LEU 49 Cb 0.49 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1p9j n LEU 49 CO 0.46 0.39 0.62 0.11 -1.33 0.00 0.00 177.39 177.65 1p9j h LYS 50 N 1.54 -0.79 0.00 3.23 1.79 -1.96 -3.18 116.57 117.20 1p9j h LYS 50 Ca 0.00 0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.38 1p9j h LYS 50 Cb 1.01 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1p9j h LYS 50 CO 0.17 -0.53 -1.07 0.11 -1.08 0.00 0.00 179.45 177.05 1p9j h TRP 51 N -0.82 0.00 -0.76 -1.35 5.08 -2.01 -3.38 115.95 112.71 1p9j h TRP 51 Ca -0.05 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.03 1p9j h TRP 51 Cb 0.70 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.78 1p9j h TRP 51 CO -0.16 0.54 0.38 -1.49 -1.28 0.00 0.00 178.44 176.42 1p9j h TRP 52 N 0.00 0.68 -0.04 0.12 4.06 -1.82 -3.30 115.95 115.65 1p9j h TRP 52 Ca -0.10 0.03 -0.53 0.00 2.06 0.00 0.00 58.89 60.36 1p9j h TRP 52 Cb 1.50 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.46 1p9j h TRP 52 CO 0.00 0.22 2.52 0.39 -3.56 0.00 0.00 178.44 178.01 1p9j n GLU 53 N -4.86 3.20 0.00 0.49 1.02 -1.21 -5.14 120.64 114.14 1p9j n GLU 53 Ca 0.13 -1.87 0.13 0.00 -0.02 0.00 0.00 57.16 55.54 1p9j n GLU 53 Cb 0.32 -2.55 0.41 0.00 -0.02 0.00 0.00 31.44 29.61 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20