#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 4.81 -0.94 2.52 1.01 -1.26 -4.54 120.40 122.00 1p9j s VAL 2 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 61.98 62.68 1p9j s VAL 2 Cb 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1p9j s VAL 2 CO 0.00 0.31 1.43 -0.44 0.00 0.00 0.00 175.10 176.40 1p9j s SER 3 N -1.58 6.35 0.13 3.32 0.01 -1.26 -3.16 113.70 117.51 1p9j s SER 3 Ca 0.36 -1.16 0.08 0.00 1.31 0.00 0.00 55.95 56.54 1p9j s SER 3 Cb -0.16 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 1p9j s SER 3 CO 0.19 -1.65 -0.18 -1.00 0.41 0.00 0.00 173.24 171.02 1p9j s HIS 4 N 5.41 1.68 -0.12 2.43 0.09 -1.26 -4.90 115.29 118.62 1p9j s HIS 4 Ca 0.45 -0.48 -0.11 0.00 -0.00 0.00 0.00 55.06 54.92 1p9j s HIS 4 Cb -0.02 -0.87 -0.05 0.00 -0.00 0.00 0.00 32.58 31.64 1p9j s HIS 4 CO -0.03 0.24 0.24 0.12 -0.00 0.00 0.00 174.74 175.30 1p9j s PHE 5 N -1.80 3.56 0.34 1.40 2.19 -1.26 -0.76 117.98 121.64 1p9j s PHE 5 Ca 0.11 0.62 0.08 0.00 0.33 0.00 0.00 56.93 58.06 1p9j s PHE 5 Cb -0.07 -2.15 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 1p9j s PHE 5 CO 0.05 0.52 0.28 -0.80 1.83 0.00 0.00 175.22 177.10 1p9j s ASN 6 N -0.43 1.75 0.53 6.13 0.01 0.17 -4.99 114.94 118.11 1p9j s ASN 6 Ca 0.16 -1.78 -0.04 0.00 -0.71 0.00 0.00 52.86 50.49 1p9j s ASN 6 Cb -0.13 0.56 -0.01 0.00 0.41 0.00 0.00 41.25 42.09 1p9j s ASN 6 CO 0.05 -1.07 0.83 1.51 -1.51 0.00 0.00 177.10 176.90 1p9j s ASP 7 N -3.38 5.81 0.77 -1.22 -4.77 -1.26 -3.35 116.67 109.26 1p9j s ASP 7 Ca 0.41 0.68 -0.10 0.00 -3.30 0.00 0.00 52.55 50.24 1p9j s ASP 7 Cb 0.02 -1.81 0.07 0.00 -1.09 0.00 0.00 42.92 40.11 1p9j s ASP 7 CO 0.28 -0.87 1.12 0.00 0.70 0.00 0.00 175.17 176.41 1p9j s PRO 9 N -5.47 -1.16 0.38 0.00 0.02 -1.26 -4.91 135.00 122.60 1p9j s PRO 9 Ca 0.61 0.62 0.06 0.00 0.02 0.00 0.00 61.00 62.30 1p9j s PRO 9 Cb -0.11 -1.54 0.76 0.00 0.02 0.00 0.00 34.50 33.63 1p9j s PRO 9 CO 0.48 -3.82 2.00 -0.07 -0.33 0.00 0.00 177.00 175.26 1p9j h LEU 10 N -2.68 0.61 -9.38 -5.54 3.38 -2.08 -3.39 115.31 96.22 1p9j h LEU 10 Ca -0.58 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 56.72 1p9j h LEU 10 Cb 1.34 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 1p9j h LEU 10 CO 0.48 0.42 -0.65 -0.94 0.09 0.00 0.00 178.44 177.85 1p9j s SER 11 N -6.41 5.08 0.55 -0.43 1.04 -1.26 -5.12 113.70 107.15 1p9j s SER 11 Ca -0.09 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.10 1p9j s SER 11 Cb 0.18 -1.30 -0.05 0.00 0.10 0.00 0.00 66.02 64.95 1p9j s SER 11 CO 0.76 0.26 1.11 -1.00 0.98 0.00 0.00 173.24 175.34 1p9j s HIS 12 N -1.13 2.74 0.68 5.02 3.76 -1.26 -4.97 115.29 120.13 1p9j s HIS 12 Ca 0.21 1.55 -0.17 0.00 -0.15 0.00 0.00 55.06 56.50 1p9j s HIS 12 Cb -0.12 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.36 1p9j s HIS 12 CO 0.12 -1.43 1.28 -0.51 -0.85 0.00 0.00 174.74 173.35 1p9j s ASP 13 N -1.97 4.40 0.07 1.40 1.11 -1.26 -4.95 116.67 115.46 1p9j s ASP 13 Ca 0.70 2.59 0.04 0.00 0.18 0.00 0.00 52.55 56.07 1p9j s ASP 13 Cb -0.22 -2.61 -0.24 0.00 1.07 0.00 0.00 42.92 40.92 1p9j s ASP 13 CO 0.28 -2.14 1.10 1.23 1.18 0.00 0.00 175.17 176.82 1p9j h GLY 14 N 0.28 0.10 2.00 0.21 0.00 -2.05 -3.26 103.07 100.34 1p9j h GLY 14 Ca -0.50 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 1p9j h GLY 14 CO 0.52 0.21 -0.29 -1.82 0.00 0.00 0.00 176.54 175.16 1p9j h TYR 15 N 0.02 0.00 -3.40 5.60 3.20 -2.04 -3.44 116.97 116.91 1p9j h TYR 15 Ca -0.11 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.18 1p9j h TYR 15 Cb 1.88 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 40.06 1p9j h TYR 15 CO 0.02 0.29 0.05 0.00 -1.64 0.00 0.00 178.16 176.89 1p9j s LEU 17 N 1.52 2.85 -0.84 0.00 2.34 -1.26 -4.68 118.68 118.61 1p9j s LEU 17 Ca 0.29 -1.04 0.00 0.00 0.06 0.00 0.00 54.13 53.43 1p9j s LEU 17 Cb -0.16 -1.22 0.00 0.00 -0.56 0.00 0.00 46.19 44.25 1p9j s LEU 17 CO 0.11 -0.17 0.00 1.57 -1.06 0.00 0.00 176.35 176.80 1p9j n HIS 18 N -0.84 0.00 -3.20 3.48 -0.00 -1.26 -4.18 115.22 109.22 1p9j n HIS 18 Ca -0.05 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.95 1p9j n HIS 18 Cb 0.62 -1.66 0.01 0.00 -0.12 0.00 0.00 29.99 28.84 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 0.48 -3.23 -4.82 0.26 -0.08 -1.26 -4.96 116.55 102.94 1p9j n ASP 19 Ca -0.08 -0.53 -0.33 0.00 -1.51 0.00 0.00 54.79 52.35 1p9j n ASP 19 Cb 0.28 -1.04 -0.02 0.00 2.34 0.00 0.00 41.12 42.68 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1p9j s GLY 20 N -2.26 2.18 -0.51 0.27 0.00 -1.26 -4.97 107.32 100.76 1p9j s GLY 20 Ca 0.06 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.84 1p9j s GLY 20 CO 0.59 0.65 1.19 0.14 0.00 0.00 0.00 173.10 175.66 1p9j s VAL 21 N -2.42 4.10 0.59 1.40 1.01 -0.35 -4.62 120.40 120.11 1p9j s VAL 21 Ca 0.62 1.08 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1p9j s VAL 21 Cb -0.13 -4.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 1p9j s VAL 21 CO 0.31 -1.11 0.95 0.00 0.00 0.00 0.00 175.10 175.25 1p9j s MET 23 N -5.06 0.53 -0.14 0.00 0.23 -0.36 -4.87 119.30 109.64 1p9j s MET 23 Ca 0.53 -0.69 0.01 0.00 -1.03 0.00 0.00 55.69 54.51 1p9j s MET 23 Cb -0.11 0.21 0.02 0.00 -1.53 0.00 0.00 34.83 33.42 1p9j s MET 23 CO 0.50 -0.12 -0.14 -0.47 -2.03 0.00 0.00 175.02 172.76 1p9j s TYR 24 N -2.26 2.05 -0.26 3.16 5.04 -1.21 -1.96 117.35 121.90 1p9j s TYR 24 Ca -0.08 -1.10 0.02 0.00 -2.44 0.00 0.00 57.07 53.47 1p9j s TYR 24 Cb -0.03 -1.52 0.06 0.00 0.35 0.00 0.00 41.96 40.82 1p9j s TYR 24 CO -0.03 -0.61 -0.11 0.96 -1.34 0.00 0.00 175.55 174.42 1p9j s ILE 25 N 1.41 2.24 0.07 3.14 -0.00 -0.08 -0.66 121.20 127.32 1p9j s ILE 25 Ca 0.03 -1.56 0.33 0.00 -0.00 0.00 0.00 60.65 59.44 1p9j s ILE 25 Cb -0.13 -2.29 0.35 0.00 -0.00 0.00 0.00 42.46 40.40 1p9j s ILE 25 CO -0.09 0.01 1.98 -0.33 -0.00 0.00 0.00 174.94 176.51 1p9j h GLU 26 N 7.80 0.00 -0.73 0.37 5.08 -1.18 -2.01 114.58 123.92 1p9j h GLU 26 Ca -0.21 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1p9j h GLU 26 Cb 1.05 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.17 1p9j h GLU 26 CO 0.48 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 178.38 1p9j h ALA 27 N 2.06 0.58 -0.03 3.43 0.00 -1.77 -1.37 119.26 122.16 1p9j h ALA 27 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1p9j h ALA 27 Cb 0.30 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1p9j h ALA 27 CO 0.00 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1p9j n LEU 28 N -5.43 1.59 -2.09 0.00 4.32 -1.26 -3.26 117.00 110.87 1p9j n LEU 28 Ca 0.11 -1.15 -0.07 0.00 -0.02 0.00 0.00 56.01 54.87 1p9j n LEU 28 Cb 0.40 -0.02 0.04 0.00 -1.62 0.00 0.00 43.42 42.23 1p9j n LEU 28 CO 0.02 0.35 0.04 -0.67 -1.22 0.00 0.00 177.39 175.92 1p9j n ASP 29 N 0.25 -2.26 -4.60 -1.43 -0.08 -0.52 -5.02 116.55 102.90 1p9j n ASP 29 Ca 0.03 -0.28 -0.26 0.00 -1.51 0.00 0.00 54.79 52.78 1p9j n ASP 29 Cb 0.16 -2.54 -0.10 0.00 2.34 0.00 0.00 41.12 40.99 1p9j n ASP 29 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1p9j s LYS 30 N -4.48 1.94 0.28 -0.67 -0.14 -0.76 -4.97 119.74 110.94 1p9j s LYS 30 Ca 0.02 -1.95 0.02 0.00 -1.36 0.00 0.00 55.97 52.71 1p9j s LYS 30 Cb -0.00 -1.75 -0.04 0.00 -1.68 0.00 0.00 37.83 34.36 1p9j s LYS 30 CO 0.32 0.06 0.13 0.71 -0.76 0.00 0.00 175.35 175.82 1p9j s TYR 31 N -2.62 1.54 -0.24 3.18 2.02 -1.26 -0.90 117.35 119.06 1p9j s TYR 31 Ca 0.34 -1.30 -0.26 0.00 -0.37 0.00 0.00 57.07 55.48 1p9j s TYR 31 Cb 0.04 -0.85 0.11 0.00 -0.40 0.00 0.00 41.96 40.86 1p9j s TYR 31 CO 0.18 -0.46 0.94 0.00 -1.57 0.00 0.00 175.55 174.64 1p9j s ALA 32 N -3.71 -1.91 -0.44 3.71 0.00 -0.83 -4.98 121.76 113.61 1p9j s ALA 32 Ca 0.37 1.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.92 1p9j s ALA 32 Cb 0.06 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1p9j s ALA 32 CO 0.16 -0.28 0.76 0.00 0.00 0.00 0.00 175.76 176.40 1p9j s ASN 34 N 2.07 6.74 0.53 0.00 0.01 -0.33 -4.85 114.94 119.11 1p9j s ASN 34 Ca 0.29 0.95 0.08 0.00 -0.71 0.00 0.00 52.86 53.47 1p9j s ASN 34 Cb -0.13 -2.24 0.05 0.00 0.41 0.00 0.00 41.25 39.35 1p9j s ASN 34 CO 0.21 0.14 0.59 0.00 -1.51 0.00 0.00 177.10 176.53 1p9j n VAL 36 N -1.96 1.10 -3.05 0.00 0.31 -1.26 -4.93 118.33 108.54 1p9j n VAL 36 Ca 0.08 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.78 1p9j n VAL 36 Cb 0.62 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.63 1p9j n VAL 36 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1p9j s VAL 37 N -2.21 5.04 0.00 2.52 0.11 -1.26 -4.45 120.40 120.15 1p9j s VAL 37 Ca 0.65 1.45 0.00 0.00 -2.93 0.00 0.00 61.98 61.15 1p9j s VAL 37 Cb -0.27 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1p9j s VAL 37 CO 0.59 0.26 0.00 0.61 -3.33 0.00 0.00 175.10 173.22 1p9j n GLY 38 N 3.09 0.82 2.98 6.54 0.00 -1.26 -4.93 105.19 112.43 1p9j n GLY 38 Ca -0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1p9j n GLY 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p9j s TYR 39 N -2.59 -0.13 0.32 1.61 5.04 -1.26 -0.51 117.35 119.83 1p9j s TYR 39 Ca 0.00 0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.01 1p9j s TYR 39 Cb 0.00 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.28 1p9j s TYR 39 CO 0.00 -0.08 0.12 0.96 -1.34 0.00 0.00 175.55 175.21 1p9j s ILE 40 N 0.28 0.60 0.00 3.14 -4.36 -1.03 -4.82 121.20 115.01 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 -0.03 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1p9j s ILE 40 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1p9j n GLY 41 N -0.64 0.85 0.33 6.27 0.00 -1.26 -0.75 105.19 109.99 1p9j n GLY 41 Ca -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 1.13 -1.21 1.61 4.39 -1.98 -1.29 114.58 117.23 1p9j h GLU 42 Ca 0.00 -0.07 -0.48 0.00 0.34 0.00 0.00 59.36 59.15 1p9j h GLU 42 Cb 0.00 -0.25 -0.22 0.00 -0.10 0.00 0.00 28.75 28.18 1p9j h GLU 42 CO 0.00 0.75 0.62 2.89 -1.16 0.00 0.00 179.01 182.10 1p9j n ARG 43 N -4.49 2.18 -2.31 2.33 1.85 -1.26 -4.79 116.66 110.17 1p9j n ARG 43 Ca 0.09 -2.38 -0.09 0.00 -1.00 0.00 0.00 57.85 54.46 1p9j n ARG 43 Cb 0.01 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 29.49 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 -1.98 0.55 -3.83 0.00 -0.06 -0.99 -4.78 117.38 106.29 1p9j n GLN 45 Ca -0.09 0.50 -0.22 0.00 -2.00 0.00 0.00 57.00 55.20 1p9j n GLN 45 Cb 0.57 -1.68 -0.04 0.00 -4.06 0.00 0.00 30.24 25.03 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1p9j s TYR 46 N -2.39 2.78 0.12 3.69 2.02 0.08 -5.00 117.35 118.65 1p9j s TYR 46 Ca -0.29 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 56.11 1p9j s TYR 46 Cb 0.07 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1p9j s TYR 46 CO 0.52 0.13 -0.21 1.03 -1.57 0.00 0.00 175.55 175.45 1p9j s ARG 47 N -3.99 1.19 -0.97 -0.62 0.52 -1.26 -2.47 118.95 111.35 1p9j s ARG 47 Ca 0.42 -1.25 -0.24 0.00 -0.52 0.00 0.00 55.73 54.15 1p9j s ARG 47 Cb -0.04 -1.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 1p9j s ARG 47 CO 0.26 0.32 1.80 -0.51 0.02 0.00 0.00 175.30 177.19 1p9j s ASP 48 N -2.13 5.56 -0.02 0.23 1.01 0.33 -4.73 116.67 116.93 1p9j s ASP 48 Ca 0.10 -1.02 0.01 0.00 0.71 0.00 0.00 52.55 52.35 1p9j s ASP 48 Cb -0.09 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.33 1p9j s ASP 48 CO 0.05 -2.38 0.61 0.18 0.21 0.00 0.00 175.17 173.83 1p9j n LEU 49 N 12.44 1.41 0.06 1.23 4.77 -1.26 -4.20 117.00 131.46 1p9j n LEU 49 Ca 0.39 -0.71 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 1p9j n LEU 49 Cb 0.48 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1p9j n LEU 49 CO 0.63 0.29 0.52 0.11 -1.33 0.00 0.00 177.39 177.60 1p9j h LYS 50 N 0.28 -0.20 0.00 3.23 6.56 -1.94 -2.85 116.57 121.65 1p9j h LYS 50 Ca 0.00 0.01 -0.24 0.00 -1.06 0.00 0.00 60.65 59.36 1p9j h LYS 50 Cb 0.63 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.29 1p9j h LYS 50 CO 0.04 0.21 -1.30 0.11 -2.06 0.00 0.00 179.45 176.45 1p9j h TRP 51 N -0.71 0.00 -0.60 -1.35 0.09 -2.02 -3.37 115.95 107.98 1p9j h TRP 51 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.93 1p9j h TRP 51 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.72 1p9j h TRP 51 CO 0.07 0.98 0.25 -1.49 0.09 0.00 0.00 178.44 178.33 1p9j h TRP 52 N 0.00 0.90 -0.99 0.12 4.06 -1.78 -3.34 115.95 114.93 1p9j h TRP 52 Ca -0.13 -0.06 -0.71 0.00 2.06 0.00 0.00 58.89 60.04 1p9j h TRP 52 Cb 1.86 -0.27 -0.10 0.00 -1.00 0.00 0.00 29.16 29.65 1p9j h TRP 52 CO 0.00 0.72 2.24 -1.91 -3.56 0.00 0.00 178.44 175.93 1p9j n GLU 53 N -4.47 3.21 0.00 0.49 2.13 -1.07 -5.12 120.64 115.80 1p9j n GLU 53 Ca 0.04 -3.26 0.13 0.00 0.66 0.00 0.00 57.16 54.73 1p9j n GLU 53 Cb 0.16 -3.27 0.39 0.00 0.27 0.00 0.00 31.44 28.99 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61