#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 0.87 -0.63 3.34 -7.23 -1.26 -5.03 120.40 110.47 1p9j s VAL 2 Ca 0.00 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1p9j s VAL 2 Cb 0.00 -0.82 0.47 0.00 0.56 0.00 0.00 36.38 36.59 1p9j s VAL 2 CO 0.00 -0.06 1.97 -1.20 -0.31 0.00 0.00 175.10 175.50 1p9j n SER 3 N 1.96 7.23 -4.37 4.85 7.64 -1.26 -4.92 113.62 124.76 1p9j n SER 3 Ca -0.18 -3.78 -0.20 0.00 1.01 0.00 0.00 58.87 55.72 1p9j n SER 3 Cb 0.55 -0.93 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 1p9j n SER 3 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1p9j s HIS 4 N -3.78 1.84 -0.05 1.43 0.09 -1.26 -5.15 115.29 108.41 1p9j s HIS 4 Ca 0.63 -0.51 -0.02 0.00 -0.00 0.00 0.00 55.06 55.16 1p9j s HIS 4 Cb 0.50 -0.84 -0.04 0.00 -0.00 0.00 0.00 32.58 32.20 1p9j s HIS 4 CO 0.00 0.43 0.06 0.12 -0.00 0.00 0.00 174.74 175.35 1p9j s PHE 5 N -2.77 3.29 0.28 1.40 5.36 -1.26 -5.10 117.98 119.17 1p9j s PHE 5 Ca 0.23 0.26 0.10 0.00 -0.96 0.00 0.00 56.93 56.56 1p9j s PHE 5 Cb -0.02 -1.79 -0.05 0.00 -0.34 0.00 0.00 43.02 40.82 1p9j s PHE 5 CO 0.08 0.55 -0.16 1.21 -1.46 0.00 0.00 175.22 175.45 1p9j s ASN 6 N -1.29 3.37 0.62 6.13 2.47 -1.26 -5.14 114.94 119.83 1p9j s ASN 6 Ca 0.18 -1.07 0.00 0.00 0.42 0.00 0.00 52.86 52.39 1p9j s ASN 6 Cb -0.12 -0.27 0.00 0.00 -1.45 0.00 0.00 41.25 39.41 1p9j s ASN 6 CO 0.08 -0.07 0.00 -0.90 -3.72 0.00 0.00 177.10 172.49 1p9j n ASP 7 N -0.60 0.00 -5.00 -4.21 5.75 -1.26 -4.49 116.55 106.74 1p9j n ASP 7 Ca -0.06 -0.98 -0.18 0.00 -0.01 0.00 0.00 54.79 53.57 1p9j n ASP 7 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 -4.29 -1.86 0.16 0.00 0.02 -1.26 -4.92 135.00 122.84 1p9j s PRO 9 Ca 0.52 0.26 -0.16 0.00 0.02 0.00 0.00 61.00 61.64 1p9j s PRO 9 Cb -0.10 -1.49 0.08 0.00 0.02 0.00 0.00 34.50 33.01 1p9j s PRO 9 CO 0.32 -4.20 1.74 -0.07 -0.33 0.00 0.00 177.00 174.46 1p9j h LEU 10 N -2.94 0.07 -8.47 -5.54 -0.00 -2.03 -3.26 115.31 93.14 1p9j h LEU 10 Ca -0.49 0.05 -0.62 0.00 -0.00 0.00 0.00 57.88 56.82 1p9j h LEU 10 Cb 1.33 0.06 -0.13 0.00 -0.00 0.00 0.00 40.66 41.92 1p9j h LEU 10 CO 0.37 0.08 0.50 -0.94 -0.00 0.00 0.00 178.44 178.45 1p9j s SER 11 N -5.34 6.32 -0.14 -0.43 1.04 -1.26 -4.92 113.70 108.97 1p9j s SER 11 Ca -0.13 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 1p9j s SER 11 Cb 0.13 -2.42 -0.24 0.00 0.10 0.00 0.00 66.02 63.58 1p9j s SER 11 CO 0.71 -1.19 0.26 0.00 0.98 0.00 0.00 173.24 174.00 1p9j n HIS 12 N 7.31 1.00 -3.90 5.02 1.44 -1.23 -4.90 115.22 119.97 1p9j n HIS 12 Ca 0.01 0.22 -0.31 0.00 -2.01 0.00 0.00 57.72 55.62 1p9j n HIS 12 Cb 0.47 -1.13 -0.04 0.00 0.12 0.00 0.00 29.99 29.41 1p9j n HIS 12 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1p9j s ASP 13 N -6.90 6.37 0.00 4.39 1.01 -1.26 -4.83 116.67 115.45 1p9j s ASP 13 Ca -0.24 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1p9j s ASP 13 Cb 0.07 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1p9j s ASP 13 CO 0.74 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.88 1p9j n GLY 14 N 0.22 -2.48 0.08 0.21 0.00 -1.26 -4.99 105.19 96.97 1p9j n GLY 14 Ca -0.05 0.80 -0.08 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 -3.42 1.61 3.20 -2.00 -3.44 116.97 112.92 1p9j h TYR 15 Ca 0.00 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 61.20 1p9j h TYR 15 Cb 0.00 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.10 1p9j h TYR 15 CO 0.00 0.99 0.08 0.00 -1.64 0.00 0.00 178.16 177.58 1p9j s LEU 17 N 2.72 2.94 -1.36 0.00 1.02 -1.22 -3.35 118.68 119.42 1p9j s LEU 17 Ca 0.19 0.28 -0.08 0.00 0.02 0.00 0.00 54.13 54.54 1p9j s LEU 17 Cb -0.16 -2.95 0.02 0.00 0.02 0.00 0.00 46.19 43.12 1p9j s LEU 17 CO 0.15 -1.54 1.08 1.41 0.02 0.00 0.00 176.35 177.47 1p9j n HIS 18 N -2.80 -2.58 -2.93 0.29 8.25 -1.26 -3.49 115.22 110.69 1p9j n HIS 18 Ca 0.09 0.97 -0.06 0.00 -0.26 0.00 0.00 57.72 58.45 1p9j n HIS 18 Cb 0.60 -4.80 0.01 0.00 1.12 0.00 0.00 29.99 26.92 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 -3.01 -7.85 -4.70 0.41 8.00 -1.26 -4.71 116.55 103.43 1p9j n ASP 19 Ca -0.06 0.33 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 1p9j n ASP 19 Cb 0.58 -5.28 -0.04 0.00 -0.02 0.00 0.00 41.12 36.36 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 -2.71 2.45 -0.75 0.44 0.00 -1.21 -4.75 107.32 100.78 1p9j s GLY 20 Ca 0.17 0.12 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 1p9j s GLY 20 CO 0.77 1.41 1.22 0.14 0.00 0.00 0.00 173.10 176.63 1p9j s VAL 21 N 1.34 3.90 0.48 1.40 1.01 0.26 -4.89 120.40 123.90 1p9j s VAL 21 Ca 0.39 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1p9j s VAL 21 Cb -0.18 -4.88 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 1p9j s VAL 21 CO 0.17 -1.77 0.80 0.00 0.00 0.00 0.00 175.10 174.30 1p9j s MET 23 N -4.67 0.87 -0.25 0.00 0.23 -0.76 -4.47 119.30 110.24 1p9j s MET 23 Ca 0.48 0.86 0.02 0.00 -1.03 0.00 0.00 55.69 56.02 1p9j s MET 23 Cb -0.10 0.42 0.06 0.00 -1.53 0.00 0.00 34.83 33.68 1p9j s MET 23 CO 0.44 -0.14 -0.07 -0.47 -2.03 0.00 0.00 175.02 172.75 1p9j s TYR 24 N 0.10 2.81 -0.43 3.16 5.04 -0.60 -1.80 117.35 125.63 1p9j s TYR 24 Ca -0.02 -2.05 -0.10 0.00 -2.44 0.00 0.00 57.07 52.47 1p9j s TYR 24 Cb -0.04 -1.78 0.08 0.00 0.35 0.00 0.00 41.96 40.57 1p9j s TYR 24 CO 0.02 -0.83 0.28 0.96 -1.34 0.00 0.00 175.55 174.64 1p9j s ILE 25 N 1.25 4.30 0.39 3.14 -0.00 -0.60 -4.62 121.20 125.05 1p9j s ILE 25 Ca -0.06 -1.41 0.08 0.00 -0.00 0.00 0.00 60.65 59.25 1p9j s ILE 25 Cb -0.19 -3.64 0.29 0.00 -0.00 0.00 0.00 42.46 38.92 1p9j s ILE 25 CO -0.06 -0.54 1.99 -0.08 -0.00 0.00 0.00 174.94 176.25 1p9j h GLU 26 N 8.43 0.63 -0.86 0.37 4.81 -1.92 0.68 114.58 126.72 1p9j h GLU 26 Ca -0.23 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1p9j h GLU 26 Cb 1.08 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1p9j h GLU 26 CO 0.77 0.42 0.54 0.00 -0.73 0.00 0.00 179.01 180.01 1p9j h ALA 27 N 1.65 1.18 0.00 2.92 0.00 -1.95 -2.94 119.26 120.12 1p9j h ALA 27 Ca 0.27 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 1p9j h ALA 27 Cb 0.24 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1p9j h ALA 27 CO -0.08 0.30 -1.62 -0.07 0.00 0.00 0.00 179.25 177.78 1p9j h LEU 28 N 0.99 0.00 0.00 0.00 4.07 -1.85 -3.41 115.31 115.11 1p9j h LEU 28 Ca 0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1p9j h LEU 28 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1p9j h LEU 28 CO -0.17 0.93 0.00 -0.67 -1.08 0.00 0.00 178.44 177.46 1p9j n ASP 29 N -3.04 -2.15 -4.80 -0.43 2.03 0.19 -5.04 116.55 103.32 1p9j n ASP 29 Ca -0.15 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.84 1p9j n ASP 29 Cb 1.01 -0.36 -0.06 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.21 2.21 0.39 -0.67 -0.14 -1.17 -4.95 119.74 115.21 1p9j s LYS 30 Ca 0.00 -2.35 0.05 0.00 -1.36 0.00 0.00 55.97 52.31 1p9j s LYS 30 Cb 0.00 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.45 1p9j s LYS 30 CO 0.00 -0.42 0.03 0.71 -0.76 0.00 0.00 175.35 174.91 1p9j s TYR 31 N -2.87 2.24 0.20 3.18 1.51 -1.26 -1.56 117.35 118.80 1p9j s TYR 31 Ca 0.10 -0.82 -0.20 0.00 -1.01 0.00 0.00 57.07 55.13 1p9j s TYR 31 Cb 0.01 -1.57 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1p9j s TYR 31 CO 0.06 0.25 0.59 0.00 -1.11 0.00 0.00 175.55 175.33 1p9j s ALA 32 N -2.94 -1.19 -0.03 3.71 0.00 -0.75 -4.98 121.76 115.58 1p9j s ALA 32 Ca 0.32 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1p9j s ALA 32 Cb 0.08 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 24.06 1p9j s ALA 32 CO 0.15 -0.85 -0.15 0.00 0.00 0.00 0.00 175.76 174.91 1p9j s ASN 34 N -0.05 4.97 0.34 0.00 -0.87 -0.18 -4.94 114.94 114.21 1p9j s ASN 34 Ca -0.01 -0.31 0.04 0.00 -1.57 0.00 0.00 52.86 51.01 1p9j s ASN 34 Cb -0.09 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.25 39.97 1p9j s ASN 34 CO 0.01 0.10 0.14 0.00 -2.57 0.00 0.00 177.10 174.78 1p9j s VAL 36 N -3.42 2.35 0.06 0.00 1.01 -1.26 -4.99 120.40 114.15 1p9j s VAL 36 Ca 0.32 0.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 1p9j s VAL 36 Cb 0.05 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 1p9j s VAL 36 CO 0.17 -0.07 0.79 -0.69 0.00 0.00 0.00 175.10 175.29 1p9j s VAL 37 N -1.78 4.69 0.00 2.92 1.01 -1.26 -3.55 120.40 122.43 1p9j s VAL 37 Ca 0.77 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1p9j s VAL 37 Cb -0.31 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1p9j s VAL 37 CO 0.41 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1p9j n GLY 38 N 2.34 0.70 3.19 4.51 0.00 -1.26 -5.04 105.19 109.63 1p9j n GLY 38 Ca -0.02 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 1.79 0.13 1.61 2.02 -1.23 -1.25 117.35 118.42 1p9j s TYR 39 Ca 0.00 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 1p9j s TYR 39 Cb 0.00 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1p9j s TYR 39 CO 0.00 -0.06 -0.11 0.96 -1.57 0.00 0.00 175.55 174.77 1p9j s ILE 40 N -0.36 1.17 0.00 2.71 -4.36 -0.14 -4.90 121.20 115.32 1p9j s ILE 40 Ca 0.05 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1p9j s ILE 40 Cb -0.09 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.93 1p9j s ILE 40 CO -0.00 -0.64 0.00 0.61 0.24 0.00 0.00 174.94 175.15 1p9j n GLY 41 N 0.09 -3.62 0.13 6.27 0.00 -1.26 -2.06 105.19 104.74 1p9j n GLY 41 Ca -0.12 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 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 0.13 -0.12 -0.51 1.61 5.08 -2.01 -2.45 114.58 116.32 1p9j h GLU 42 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 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 -0.08 0.00 2.89 -1.00 0.00 0.00 179.01 180.82 1p9j n ARG 43 N -5.21 3.41 -3.66 2.33 1.85 -1.26 -4.96 116.66 109.15 1p9j n ARG 43 Ca -0.05 -2.71 -0.23 0.00 -1.00 0.00 0.00 57.85 53.86 1p9j n ARG 43 Cb 0.13 -1.75 0.04 0.00 -1.05 0.00 0.00 32.46 29.83 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 -4.14 0.68 -3.08 0.00 7.27 -1.04 -4.57 117.38 112.50 1p9j n GLN 45 Ca -0.23 0.29 -0.31 0.00 0.07 0.00 0.00 57.00 56.81 1p9j n GLN 45 Cb 0.65 -1.64 -0.05 0.00 2.41 0.00 0.00 30.24 31.61 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1p9j s TYR 46 N -2.51 3.41 -0.18 3.69 2.02 -0.88 -4.82 117.35 118.08 1p9j s TYR 46 Ca -0.29 1.10 -0.10 0.00 -0.37 0.00 0.00 57.07 57.41 1p9j s TYR 46 Cb 0.08 -2.45 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 1p9j s TYR 46 CO 0.66 0.05 0.14 1.03 -1.57 0.00 0.00 175.55 175.87 1p9j s ARG 47 N -3.27 4.09 0.12 -0.62 0.52 -1.26 -0.96 118.95 117.55 1p9j s ARG 47 Ca 0.52 -0.18 -0.24 0.00 -0.52 0.00 0.00 55.73 55.31 1p9j s ARG 47 Cb -0.10 -3.39 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 1p9j s ARG 47 CO 0.23 0.37 0.74 0.34 0.02 0.00 0.00 175.30 177.00 1p9j s ASP 48 N 0.16 7.29 0.00 0.23 2.15 -0.38 -4.95 116.67 121.17 1p9j s ASP 48 Ca 0.10 1.53 0.27 0.00 0.43 0.00 0.00 52.55 54.88 1p9j s ASP 48 Cb -0.11 -2.47 0.88 0.00 -0.30 0.00 0.00 42.92 40.92 1p9j s ASP 48 CO -0.01 0.17 1.64 0.00 -0.17 0.00 0.00 175.17 176.80 1p9j n LEU 49 N 1.95 1.14 -0.15 -1.34 -0.00 -1.26 -4.61 117.00 112.74 1p9j n LEU 49 Ca -0.05 -0.32 -0.10 0.00 -0.00 0.00 0.00 56.01 55.53 1p9j n LEU 49 Cb 0.49 -0.09 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1p9j n LEU 49 CO 0.46 0.20 0.80 0.11 -0.00 0.00 0.00 177.39 178.96 1p9j h LYS 50 N 1.54 0.77 0.00 1.47 1.79 -1.94 -0.49 116.57 119.71 1p9j h LYS 50 Ca 0.00 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.08 1p9j h LYS 50 Cb 0.49 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1p9j h LYS 50 CO 0.00 0.83 -0.76 0.11 -1.08 0.00 0.00 179.45 178.56 1p9j h TRP 51 N 0.61 0.00 0.26 -1.35 0.09 -2.01 -3.40 115.95 110.15 1p9j h TRP 51 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.09 1p9j h TRP 51 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.73 1p9j h TRP 51 CO 0.04 0.70 -0.12 -1.49 0.09 0.00 0.00 178.44 177.65 1p9j h TRP 52 N 0.00 -0.32 -2.49 0.12 4.06 -1.78 -3.39 115.95 112.15 1p9j h TRP 52 Ca -0.02 -0.01 -0.81 0.00 2.06 0.00 0.00 58.89 60.12 1p9j h TRP 52 Cb 1.55 0.11 -0.28 0.00 -1.00 0.00 0.00 29.16 29.54 1p9j h TRP 52 CO 0.00 -0.20 0.92 -1.91 -3.56 0.00 0.00 178.44 173.69 1p9j n GLU 53 N -4.59 5.07 0.00 0.49 4.07 -0.22 -5.15 120.64 120.32 1p9j n GLU 53 Ca -0.04 -4.63 0.00 0.00 -0.06 0.00 0.00 57.16 52.43 1p9j n GLU 53 Cb 0.14 -2.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.03 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96