#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 4.43 0.32 2.52 1.01 -1.26 -4.50 120.40 122.93 1p9j s VAL 2 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1p9j s VAL 2 Cb 0.00 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1p9j s VAL 2 CO 0.00 -1.35 0.09 -0.44 0.00 0.00 0.00 175.10 173.40 1p9j s SER 3 N 3.56 2.09 0.47 3.32 0.01 -1.26 -5.02 113.70 116.87 1p9j s SER 3 Ca 0.21 -1.45 -0.04 0.00 1.31 0.00 0.00 55.95 55.98 1p9j s SER 3 Cb -0.18 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1p9j s SER 3 CO 0.10 -0.72 0.75 -1.00 0.41 0.00 0.00 173.24 172.79 1p9j s HIS 4 N -3.42 3.51 -0.24 2.43 4.02 -1.26 -4.89 115.29 115.44 1p9j s HIS 4 Ca 0.34 0.69 -0.03 0.00 1.02 0.00 0.00 55.06 57.09 1p9j s HIS 4 Cb 0.07 -2.27 0.01 0.00 -1.02 0.00 0.00 32.58 29.37 1p9j s HIS 4 CO 0.15 -0.27 -0.04 0.12 1.02 0.00 0.00 174.74 175.72 1p9j s PHE 5 N -2.69 3.02 0.42 1.40 5.36 -1.26 -4.65 117.98 119.58 1p9j s PHE 5 Ca 0.47 -1.27 0.03 0.00 -0.96 0.00 0.00 56.93 55.20 1p9j s PHE 5 Cb -0.10 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1p9j s PHE 5 CO 0.43 -0.65 0.10 0.09 -1.46 0.00 0.00 175.22 173.73 1p9j n ASN 6 N 4.74 1.79 -4.79 6.13 4.13 -1.26 -5.14 115.26 120.85 1p9j n ASN 6 Ca -0.17 -3.10 -0.39 0.00 1.68 0.00 0.00 54.58 52.60 1p9j n ASN 6 Cb 0.49 0.82 -0.06 0.00 -1.54 0.00 0.00 39.78 39.49 1p9j n ASN 6 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1p9j s ASP 7 N -3.48 7.13 -0.75 6.41 2.15 -1.26 -4.79 116.67 122.07 1p9j s ASP 7 Ca 0.15 1.34 -0.25 0.00 0.43 0.00 0.00 52.55 54.21 1p9j s ASP 7 Cb 0.01 -2.39 -0.16 0.00 -0.30 0.00 0.00 42.92 40.07 1p9j s ASP 7 CO 0.10 0.23 2.46 0.00 -0.17 0.00 0.00 175.17 177.79 1p9j h PRO 9 N 15.11 0.00 -0.12 0.00 0.13 -1.99 -3.38 132.00 141.75 1p9j h PRO 9 Ca -0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.88 1p9j h PRO 9 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1p9j h PRO 9 CO 1.25 0.00 -0.57 -0.07 -0.23 0.00 0.00 178.00 178.38 1p9j h LEU 10 N -0.94 0.41 -9.97 1.56 4.07 -2.04 -3.47 115.31 104.92 1p9j h LEU 10 Ca 0.00 -0.22 -0.49 0.00 0.08 0.00 0.00 57.88 57.24 1p9j h LEU 10 Cb 0.21 -0.12 0.04 0.00 1.08 0.00 0.00 40.66 41.87 1p9j h LEU 10 CO 0.00 0.89 0.45 -0.44 -1.08 0.00 0.00 178.44 178.26 1p9j s SER 11 N -6.91 6.52 0.21 -0.43 0.01 -1.26 -5.06 113.70 106.78 1p9j s SER 11 Ca -0.05 2.17 0.09 0.00 1.31 0.00 0.00 55.95 59.47 1p9j s SER 11 Cb 0.12 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 1p9j s SER 11 CO 0.81 -0.67 -0.16 -1.00 0.41 0.00 0.00 173.24 172.64 1p9j s HIS 12 N -1.58 1.83 0.66 2.43 3.76 -1.26 -5.00 115.29 116.12 1p9j s HIS 12 Ca 0.60 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.88 1p9j s HIS 12 Cb -0.25 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.58 1p9j s HIS 12 CO 0.32 0.42 1.05 -0.51 -0.85 0.00 0.00 174.74 175.16 1p9j s ASP 13 N -3.29 5.78 0.00 1.40 1.01 -1.26 -4.90 116.67 115.41 1p9j s ASP 13 Ca 0.23 1.54 0.00 0.00 0.71 0.00 0.00 52.55 55.03 1p9j s ASP 13 Cb -0.02 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1p9j s ASP 13 CO 0.08 -1.17 0.00 0.61 0.21 0.00 0.00 175.17 174.90 1p9j n GLY 14 N -2.28 -1.90 0.13 0.21 0.00 -1.26 -5.00 105.19 95.10 1p9j n GLY 14 Ca 0.07 0.64 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 0.39 -3.84 1.61 3.20 -2.00 -3.39 116.97 112.94 1p9j h TYR 15 Ca 0.00 -0.08 -0.65 0.00 3.14 0.00 0.00 58.73 61.15 1p9j h TYR 15 Cb 0.00 -0.10 -0.18 0.00 1.54 0.00 0.00 36.73 37.99 1p9j h TYR 15 CO 0.00 0.58 -0.53 0.00 -1.64 0.00 0.00 178.16 176.57 1p9j s LEU 17 N 1.73 2.18 -0.57 0.00 -0.00 -1.24 -4.74 118.68 116.04 1p9j s LEU 17 Ca 0.07 -1.40 -0.00 0.00 -0.00 0.00 0.00 54.13 52.80 1p9j s LEU 17 Cb -0.16 -0.38 0.00 0.00 -0.00 0.00 0.00 46.19 45.65 1p9j s LEU 17 CO 0.10 -0.63 0.01 1.57 -0.00 0.00 0.00 176.35 177.40 1p9j n HIS 18 N -0.71 -0.33 -1.70 3.48 -0.00 -1.26 -4.30 115.22 110.40 1p9j n HIS 18 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 57.72 57.69 1p9j n HIS 18 Cb 0.66 -1.96 0.00 0.00 -0.00 0.00 0.00 29.99 28.69 1p9j n HIS 18 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1p9j n ASP 19 N 0.70 -2.88 -4.87 0.26 2.03 -1.26 -4.94 116.55 105.60 1p9j n ASP 19 Ca -0.08 0.09 -0.23 0.00 0.52 0.00 0.00 54.79 55.09 1p9j n ASP 19 Cb 0.56 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.28 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 -1.15 2.22 -0.45 0.27 0.00 -1.26 -4.98 107.32 101.97 1p9j s GLY 20 Ca 0.03 -1.76 -0.21 0.00 0.00 0.00 0.00 44.72 42.78 1p9j s GLY 20 CO 0.11 -1.80 0.68 0.14 0.00 0.00 0.00 173.10 172.23 1p9j s VAL 21 N -2.59 4.78 -0.09 1.40 1.01 -0.64 -5.00 120.40 119.28 1p9j s VAL 21 Ca 0.44 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1p9j s VAL 21 Cb -0.02 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1p9j s VAL 21 CO 0.26 -0.64 0.97 0.00 0.00 0.00 0.00 175.10 175.69 1p9j s MET 23 N 1.79 2.12 -0.05 0.00 -1.94 -0.82 -4.60 119.30 115.79 1p9j s MET 23 Ca 0.48 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 1p9j s MET 23 Cb -0.19 -1.72 0.00 0.00 2.01 0.00 0.00 34.83 34.93 1p9j s MET 23 CO 0.19 0.03 -0.15 -0.47 -0.01 0.00 0.00 175.02 174.62 1p9j s TYR 24 N 0.70 1.56 -0.37 -0.03 5.04 -1.26 -0.96 117.35 122.03 1p9j s TYR 24 Ca -0.13 -0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 53.99 1p9j s TYR 24 Cb -0.16 -1.08 0.09 0.00 0.35 0.00 0.00 41.96 41.16 1p9j s TYR 24 CO 0.03 -0.20 0.13 0.42 -1.34 0.00 0.00 175.55 174.58 1p9j s ILE 25 N 0.28 3.10 0.39 3.14 1.09 0.36 -4.78 121.20 124.79 1p9j s ILE 25 Ca -0.08 -1.87 0.15 0.00 -1.10 0.00 0.00 60.65 57.74 1p9j s ILE 25 Cb -0.13 -3.04 0.14 0.00 -1.06 0.00 0.00 42.46 38.38 1p9j s ILE 25 CO 0.03 -0.50 1.90 -0.33 -0.10 0.00 0.00 174.94 175.94 1p9j h GLU 26 N 7.99 0.00 -0.19 2.79 5.08 -1.83 -0.43 114.58 127.98 1p9j h GLU 26 Ca -0.15 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1p9j h GLU 26 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1p9j h GLU 26 CO 0.63 0.29 0.14 0.00 -1.00 0.00 0.00 179.01 179.06 1p9j h ALA 27 N 1.71 2.10 0.00 3.43 0.00 -1.85 -3.30 119.26 121.35 1p9j h ALA 27 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p9j h ALA 27 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1p9j h ALA 27 CO 0.04 -0.15 -0.65 1.28 0.00 0.00 0.00 179.25 179.77 1p9j n LEU 28 N -4.49 0.00 0.00 0.00 4.77 -0.98 0.01 117.00 116.30 1p9j n LEU 28 Ca 0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1p9j n LEU 28 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1p9j n LEU 28 CO 0.35 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.74 1p9j n ASP 29 N -1.28 -2.89 -4.60 -1.43 2.03 -0.21 -5.02 116.55 103.14 1p9j n ASP 29 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1p9j n ASP 29 Cb 0.00 -0.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.83 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 -1.33 2.03 0.13 -0.67 -0.14 -0.98 -4.95 119.74 113.83 1p9j s LYS 30 Ca 0.00 -1.73 0.05 0.00 -1.36 0.00 0.00 55.97 52.94 1p9j s LYS 30 Cb 0.00 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.19 1p9j s LYS 30 CO 0.00 0.19 0.03 0.71 -0.76 0.00 0.00 175.35 175.52 1p9j s TYR 31 N -2.50 2.99 0.14 3.18 1.51 -1.26 -0.48 117.35 120.93 1p9j s TYR 31 Ca 0.33 -0.05 -0.13 0.00 -1.01 0.00 0.00 57.07 56.22 1p9j s TYR 31 Cb -0.01 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1p9j s TYR 31 CO 0.19 0.50 0.35 0.00 -1.11 0.00 0.00 175.55 175.47 1p9j s ALA 32 N -1.51 -0.50 -0.01 3.71 0.00 -0.13 -4.95 121.76 118.36 1p9j s ALA 32 Ca 0.27 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1p9j s ALA 32 Cb -0.11 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1p9j s ALA 32 CO 0.20 -0.65 -0.18 0.00 0.00 0.00 0.00 175.76 175.13 1p9j s ASN 34 N -0.46 3.59 0.16 0.00 2.47 -0.49 -4.98 114.94 115.22 1p9j s ASN 34 Ca 0.07 -1.36 0.08 0.00 0.42 0.00 0.00 52.86 52.07 1p9j s ASN 34 Cb -0.07 -0.34 -0.04 0.00 -1.45 0.00 0.00 41.25 39.35 1p9j s ASN 34 CO -0.01 -0.46 -0.18 0.00 -3.72 0.00 0.00 177.10 172.73 1p9j s VAL 36 N -2.04 3.31 -0.08 0.00 -7.23 -1.26 -4.97 120.40 108.13 1p9j s VAL 36 Ca 0.15 0.43 -0.30 0.00 -1.81 0.00 0.00 61.98 60.45 1p9j s VAL 36 Cb -0.06 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1p9j s VAL 36 CO 0.06 -0.56 1.19 -0.69 -0.31 0.00 0.00 175.10 174.80 1p9j s VAL 37 N -3.21 4.30 0.00 1.32 1.01 -1.26 -2.80 120.40 119.76 1p9j s VAL 37 Ca 0.60 1.61 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1p9j s VAL 37 Cb -0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1p9j s VAL 37 CO 0.53 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1p9j n GLY 38 N 3.38 0.93 3.27 4.51 0.00 -1.26 -5.05 105.19 110.97 1p9j n GLY 38 Ca 0.11 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.11 0.29 1.61 1.51 -1.12 -1.01 117.35 118.73 1p9j s TYR 39 Ca 0.00 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1p9j s TYR 39 Cb 0.00 -1.35 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 1p9j s TYR 39 CO 0.00 -0.03 0.08 0.96 -1.11 0.00 0.00 175.55 175.45 1p9j s ILE 40 N -0.57 0.84 0.00 2.71 -4.36 0.23 -4.86 121.20 115.19 1p9j s ILE 40 Ca 0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1p9j s ILE 40 Cb -0.09 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.92 1p9j s ILE 40 CO -0.01 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1p9j n GLY 41 N -0.56 1.99 0.19 6.27 0.00 -1.26 -2.10 105.19 109.72 1p9j n GLY 41 Ca -0.01 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 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 0.31 -0.15 1.61 4.81 -2.01 -2.42 114.58 116.73 1p9j h GLU 42 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1p9j h GLU 42 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1p9j h GLU 42 CO 0.00 0.73 0.00 2.89 -0.73 0.00 0.00 179.01 181.90 1p9j n ARG 43 N -3.97 1.38 -2.23 1.92 1.85 -1.26 -4.92 116.66 109.43 1p9j n ARG 43 Ca -0.02 -0.58 -0.17 0.00 -1.00 0.00 0.00 57.85 56.08 1p9j n ARG 43 Cb 0.54 -1.16 -0.02 0.00 -1.05 0.00 0.00 32.46 30.77 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 -2.62 0.69 -3.66 0.00 7.27 -1.19 -4.76 117.38 113.11 1p9j n GLN 45 Ca -0.20 0.25 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 1p9j n GLN 45 Cb 0.64 -1.63 -0.07 0.00 2.41 0.00 0.00 30.24 31.60 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 -2.52 3.49 -0.05 3.69 2.02 -0.89 -4.96 117.35 118.13 1p9j s TYR 46 Ca -0.29 0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.90 1p9j s TYR 46 Cb 0.08 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1p9j s TYR 46 CO 0.67 0.38 0.17 -0.98 -1.57 0.00 0.00 175.55 174.21 1p9j s ARG 47 N 0.04 3.44 -0.44 -0.62 1.70 -1.26 -0.60 118.95 121.20 1p9j s ARG 47 Ca 0.14 -0.25 -0.20 0.00 -0.47 0.00 0.00 55.73 54.95 1p9j s ARG 47 Cb -0.12 -3.13 0.03 0.00 -0.57 0.00 0.00 34.95 31.15 1p9j s ARG 47 CO 0.03 0.71 0.60 0.34 -1.08 0.00 0.00 175.30 175.90 1p9j s ASP 48 N -1.60 6.29 0.07 -2.89 2.15 -0.18 -4.93 116.67 115.57 1p9j s ASP 48 Ca 0.23 -0.46 0.26 0.00 0.43 0.00 0.00 52.55 53.00 1p9j s ASP 48 Cb -0.12 -2.30 0.65 0.00 -0.30 0.00 0.00 42.92 40.85 1p9j s ASP 48 CO 0.13 -0.75 1.55 0.18 -0.17 0.00 0.00 175.17 176.11 1p9j n LEU 49 N 6.12 0.51 -0.05 -1.34 4.77 -1.26 -4.25 117.00 121.51 1p9j n LEU 49 Ca -0.03 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1p9j n LEU 49 Cb 0.48 -0.29 0.29 0.00 -2.33 0.00 0.00 43.42 41.56 1p9j n LEU 49 CO 0.52 -0.01 1.01 0.50 -1.33 0.00 0.00 177.39 178.08 1p9j h LYS 50 N 0.00 0.64 0.00 3.23 3.11 -1.92 -0.56 116.57 121.07 1p9j h LYS 50 Ca 0.00 -0.11 -0.22 0.00 -2.81 0.00 0.00 60.65 57.51 1p9j h LYS 50 Cb 0.62 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.71 1p9j h LYS 50 CO 0.00 0.58 -1.33 0.11 -2.81 0.00 0.00 179.45 175.99 1p9j h TRP 51 N 0.63 0.00 -0.15 1.91 5.08 -2.00 -3.34 115.95 118.08 1p9j h TRP 51 Ca 0.15 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.10 1p9j h TRP 51 Cb 0.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.37 1p9j h TRP 51 CO 0.01 0.85 0.03 -1.49 -1.28 0.00 0.00 178.44 176.56 1p9j h TRP 52 N 0.00 0.25 -0.35 0.12 4.06 -1.67 -3.26 115.95 115.09 1p9j h TRP 52 Ca -0.16 -0.03 -0.50 0.00 2.06 0.00 0.00 58.89 60.26 1p9j h TRP 52 Cb 1.79 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 29.82 1p9j h TRP 52 CO 0.00 0.40 1.74 0.39 -3.56 0.00 0.00 178.44 177.41 1p9j n GLU 53 N -4.82 3.12 0.00 0.49 -0.58 -0.25 -5.14 120.64 113.46 1p9j n GLU 53 Ca -0.05 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 1p9j n GLU 53 Cb 0.17 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 28.62 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54