#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2q n PRO 2 N 0.00 2.04 0.25 5.56 -0.02 -1.26 -4.90 135.00 136.67 1p2q n PRO 2 Ca 0.00 0.73 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1p2q n PRO 2 Cb 0.00 -2.57 0.65 0.00 -0.02 0.00 0.00 33.50 31.56 1p2q n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1p2q h ASP 3 N 2.02 0.00 0.13 2.55 3.32 -2.01 -2.46 116.42 119.96 1p2q h ASP 3 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1p2q h ASP 3 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1p2q h ASP 3 CO 0.60 0.15 0.00 2.19 -1.72 0.00 0.00 179.24 180.46 1p2q h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -0.26 116.94 114.09 1p2q h PHE 4 Ca -0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1p2q h PHE 4 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.53 1p2q h PHE 4 CO 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 178.31 176.28 1p2q n LEU 6 N -3.16 1.74 -4.79 0.00 4.77 -0.11 -4.58 117.00 110.87 1p2q n LEU 6 Ca -0.00 -0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 55.03 1p2q n LEU 6 Cb 0.26 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1p2q n LEU 6 CO 0.27 0.30 0.51 -1.61 -1.33 0.00 0.00 177.39 175.53 1p2q s GLU 7 N -2.19 4.48 0.78 3.23 0.41 -0.95 -4.97 118.70 119.50 1p2q s GLU 7 Ca 0.30 1.12 -0.12 0.00 -0.41 0.00 0.00 54.97 55.86 1p2q s GLU 7 Cb 0.20 -3.03 0.06 0.00 -1.78 0.00 0.00 34.13 29.58 1p2q s GLU 7 CO 0.40 0.44 1.14 -1.25 -0.49 0.00 0.00 175.26 175.50 1p2q s PRO 8 N -1.63 2.02 0.47 0.39 0.04 -1.26 -4.91 135.00 130.12 1p2q s PRO 8 Ca 0.42 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1p2q s PRO 8 Cb -0.20 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1p2q s PRO 8 CO 0.24 -1.86 1.42 -1.25 0.04 0.00 0.00 177.00 175.59 1p2q s PRO 9 N -4.44 3.60 -0.24 0.56 0.04 -1.26 -5.00 135.00 128.26 1p2q s PRO 9 Ca 0.67 2.39 0.02 0.00 0.04 0.00 0.00 61.00 64.12 1p2q s PRO 9 Cb -0.22 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.78 1p2q s PRO 9 CO 0.51 -0.88 -0.13 -0.47 0.04 0.00 0.00 177.00 176.07 1p2q s TYR 10 N -1.22 3.13 0.10 0.56 5.04 -1.26 -4.99 117.35 118.70 1p2q s TYR 10 Ca 0.63 -2.16 -0.13 0.00 -2.44 0.00 0.00 57.07 52.97 1p2q s TYR 10 Cb -0.43 -1.91 -0.15 0.00 0.35 0.00 0.00 41.96 39.82 1p2q s TYR 10 CO 0.55 -0.86 1.31 1.15 -1.34 0.00 0.00 175.55 176.36 1p2q h THR 11 N 6.59 1.29 0.00 4.34 2.02 -1.95 -3.44 112.91 121.76 1p2q h THR 11 Ca -0.25 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.04 1p2q h THR 11 Cb 1.06 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1p2q h THR 11 CO 0.50 0.60 0.00 0.61 0.37 0.00 0.00 175.52 177.60 1p2q n GLY 12 N 0.64 -0.32 0.21 2.16 0.00 -1.26 0.14 105.19 106.75 1p2q n GLY 12 Ca -0.07 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1p2q n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p2q h PRO 13 N 0.00 0.00 -7.23 1.61 0.13 -1.94 -3.44 132.00 121.13 1p2q h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1p2q h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1p2q h PRO 13 CO 0.00 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.14 1p2q n PHE 15 N -2.44 3.08 -2.40 0.00 0.99 -1.24 -4.44 117.46 111.01 1p2q n PHE 15 Ca 0.09 -1.99 -0.24 0.00 -0.00 0.00 0.00 57.45 55.30 1p2q n PHE 15 Cb 0.53 -1.01 0.09 0.00 -1.00 0.00 0.00 39.48 38.08 1p2q n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1p2q s ALA 16 N -3.34 3.41 -0.53 4.37 0.00 -0.27 -5.05 121.76 120.35 1p2q s ALA 16 Ca 0.58 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1p2q s ALA 16 Cb 0.48 -2.30 0.21 0.00 0.00 0.00 0.00 23.12 21.51 1p2q s ALA 16 CO 0.09 -1.34 0.53 -2.13 0.00 0.00 0.00 175.76 172.91 1p2q n ARG 17 N -2.85 1.32 -3.85 0.00 0.63 -1.26 -4.24 116.66 106.41 1p2q n ARG 17 Ca 0.11 -3.88 -0.35 0.00 -0.92 0.00 0.00 57.85 52.81 1p2q n ARG 17 Cb 0.60 -1.84 -0.10 0.00 0.45 0.00 0.00 32.46 31.58 1p2q n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p2q s ILE 18 N -1.30 4.97 -0.13 5.15 1.01 -0.56 -4.91 121.20 125.44 1p2q s ILE 18 Ca 0.34 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 1p2q s ILE 18 Cb 0.09 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1p2q s ILE 18 CO -0.12 0.41 1.15 -0.63 0.00 0.00 0.00 174.94 175.76 1p2q s ILE 19 N 0.68 4.44 0.23 2.92 1.01 -1.26 0.04 121.20 129.26 1p2q s ILE 19 Ca 0.05 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1p2q s ILE 19 Cb -0.13 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1p2q s ILE 19 CO 0.01 -0.07 0.08 -0.13 0.00 0.00 0.00 174.94 174.84 1p2q s ARG 20 N 2.70 1.30 0.05 2.79 1.81 -0.78 -4.93 118.95 121.89 1p2q s ARG 20 Ca 0.52 -1.68 0.06 0.00 -1.72 0.00 0.00 55.73 52.91 1p2q s ARG 20 Cb -0.21 -0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.10 1p2q s ARG 20 CO 0.16 -0.28 -0.13 0.71 -0.68 0.00 0.00 175.30 175.08 1p2q s TYR 21 N -3.81 2.69 0.04 -0.53 1.51 0.42 -1.05 117.35 116.61 1p2q s TYR 21 Ca 0.35 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1p2q s TYR 21 Cb 0.07 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1p2q s TYR 21 CO 0.11 0.33 -0.06 -0.59 -1.11 0.00 0.00 175.55 174.23 1p2q s PHE 22 N -1.03 0.56 -0.06 2.71 -0.71 0.12 -0.39 117.98 119.19 1p2q s PHE 22 Ca 0.17 -0.59 -0.24 0.00 -1.04 0.00 0.00 56.93 55.23 1p2q s PHE 22 Cb -0.11 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1p2q s PHE 22 CO 0.08 -0.14 0.74 -0.47 -1.34 0.00 0.00 175.22 174.09 1p2q s TYR 23 N -1.79 3.59 -0.47 3.49 5.04 -1.26 -0.37 117.35 125.59 1p2q s TYR 23 Ca -0.09 1.31 -0.08 0.00 -2.44 0.00 0.00 57.07 55.78 1p2q s TYR 23 Cb -0.07 -2.85 0.12 0.00 0.35 0.00 0.00 41.96 39.51 1p2q s TYR 23 CO -0.01 0.08 0.33 1.21 -1.34 0.00 0.00 175.55 175.81 1p2q s ASN 24 N 0.82 5.63 0.47 4.32 3.84 -0.29 -4.79 114.94 124.95 1p2q s ASN 24 Ca 0.40 -1.96 0.16 0.00 0.21 0.00 0.00 52.86 51.67 1p2q s ASN 24 Cb -0.18 -1.98 1.14 0.00 -0.55 0.00 0.00 41.25 39.68 1p2q s ASN 24 CO 0.20 -0.66 2.04 0.00 -2.79 0.00 0.00 177.10 175.88 1p2q h ALA 25 N 8.36 2.07 -0.32 1.71 0.00 -1.84 0.21 119.26 129.45 1p2q h ALA 25 Ca -0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1p2q h ALA 25 Cb 1.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1p2q h ALA 25 CO 0.83 -0.16 -0.05 0.87 0.00 0.00 0.00 179.25 180.74 1p2q h LYS 26 N 0.24 0.51 0.00 0.00 1.57 -1.94 -3.07 116.57 113.88 1p2q h LYS 26 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1p2q h LYS 26 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1p2q h LYS 26 CO -0.04 0.57 -1.85 0.00 -0.57 0.00 0.00 179.45 177.57 1p2q n ALA 27 N -2.48 3.07 -1.01 3.86 0.00 -0.70 -4.99 120.51 118.25 1p2q n ALA 27 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.92 1p2q n ALA 27 Cb 0.27 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 1p2q n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2q n GLY 28 N 1.29 0.46 3.31 0.00 0.00 0.65 -5.03 105.19 105.87 1p2q n GLY 28 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1p2q n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1p2q s LEU 29 N -0.10 1.04 0.13 0.99 0.05 -1.18 -4.69 118.68 114.92 1p2q s LEU 29 Ca 0.00 -1.13 -0.21 0.00 0.05 0.00 0.00 54.13 52.85 1p2q s LEU 29 Cb 0.00 0.86 -0.07 0.00 -2.05 0.00 0.00 46.19 44.93 1p2q s LEU 29 CO 0.00 -0.90 0.65 0.00 -0.55 0.00 0.00 176.35 175.55 1p2q s GLN 31 N -1.33 1.40 0.35 0.00 -0.21 0.50 -4.92 119.66 115.45 1p2q s GLN 31 Ca 0.34 -1.67 -0.07 0.00 0.02 0.00 0.00 55.36 53.97 1p2q s GLN 31 Cb -0.20 -1.01 -0.06 0.00 1.00 0.00 0.00 33.01 32.75 1p2q s GLN 31 CO 0.21 0.07 0.66 0.95 -2.12 0.00 0.00 175.29 175.06 1p2q s THR 32 N -3.10 4.92 0.22 -0.19 -4.23 -1.26 -0.70 115.64 111.31 1p2q s THR 32 Ca 0.26 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 1p2q s THR 32 Cb 0.02 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.14 1p2q s THR 32 CO 0.09 -0.44 0.53 0.72 -0.54 0.00 0.00 174.62 174.98 1p2q s PHE 33 N -2.24 0.04 -0.24 3.99 -0.71 -0.22 -4.89 117.98 113.70 1p2q s PHE 33 Ca 0.47 -0.41 -0.14 0.00 -1.04 0.00 0.00 56.93 55.81 1p2q s PHE 33 Cb -0.10 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1p2q s PHE 33 CO 0.31 -0.99 0.34 0.08 -1.34 0.00 0.00 175.22 173.62 1p2q s VAL 34 N -3.93 5.22 -0.15 -2.49 1.01 -1.26 -1.86 120.40 116.94 1p2q s VAL 34 Ca 0.14 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.58 1p2q s VAL 34 Cb -0.02 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1p2q s VAL 34 CO 0.03 0.23 0.10 -0.47 0.00 0.00 0.00 175.10 174.98 1p2q s TYR 35 N 1.63 3.42 -0.66 5.22 5.04 0.11 -4.38 117.35 127.72 1p2q s TYR 35 Ca 0.15 0.35 0.23 0.00 -2.44 0.00 0.00 57.07 55.35 1p2q s TYR 35 Cb -0.15 -2.00 0.90 0.00 0.35 0.00 0.00 41.96 41.06 1p2q s TYR 35 CO 0.08 0.48 1.70 0.41 -1.34 0.00 0.00 175.55 176.88 1p2q n GLY 36 N 2.66 -1.33 0.00 8.97 0.00 0.12 -1.50 105.19 114.11 1p2q n GLY 36 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1p2q n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2q n GLY 37 N 0.38 1.39 3.18 -0.02 0.00 -1.26 -1.12 105.19 107.73 1p2q n GLY 37 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1p2q n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2q n ARG 39 N 0.65 -7.47 -1.94 0.00 1.74 -1.26 -4.48 116.66 103.90 1p2q n ARG 39 Ca -0.19 0.81 -0.39 0.00 -0.77 0.00 0.00 57.85 57.31 1p2q n ARG 39 Cb 0.59 -5.84 0.01 0.00 -1.02 0.00 0.00 32.46 26.20 1p2q n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p2q s ALA 40 N -3.33 3.22 0.72 7.54 0.00 -1.26 -4.88 121.76 123.77 1p2q s ALA 40 Ca 0.47 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.73 1p2q s ALA 40 Cb -0.21 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.50 1p2q s ALA 40 CO 0.74 -1.00 1.00 0.15 0.00 0.00 0.00 175.76 176.65 1p2q s LYS 41 N -2.38 1.71 0.42 0.00 1.02 -1.26 -5.00 119.74 114.25 1p2q s LYS 41 Ca 0.60 -0.96 0.20 0.00 0.02 0.00 0.00 55.97 55.83 1p2q s LYS 41 Cb -0.40 -2.29 0.92 0.00 -0.52 0.00 0.00 37.83 35.54 1p2q s LYS 41 CO 0.51 -1.44 1.86 0.00 -0.92 0.00 0.00 175.35 175.36 1p2q h ARG 42 N -0.57 0.00 -3.13 1.68 3.08 -1.96 -3.27 114.38 110.22 1p2q h ARG 42 Ca -0.38 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.95 1p2q h ARG 42 Cb 1.27 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1p2q h ARG 42 CO 0.43 0.29 2.82 -1.71 -1.07 0.00 0.00 179.97 180.72 1p2q n ASN 43 N -3.67 6.93 -3.36 7.04 5.15 -1.26 -4.69 115.26 121.40 1p2q n ASN 43 Ca -0.01 -2.94 -0.08 0.00 -0.60 0.00 0.00 54.58 50.95 1p2q n ASN 43 Cb 0.40 -1.48 -0.07 0.00 -0.53 0.00 0.00 39.78 38.10 1p2q n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1p2q s ASN 44 N 1.37 0.02 0.13 1.20 3.84 -1.24 -4.48 114.94 115.79 1p2q s ASN 44 Ca 0.54 0.37 0.08 0.00 0.21 0.00 0.00 52.86 54.06 1p2q s ASN 44 Cb 0.16 1.25 -0.04 0.00 -0.55 0.00 0.00 41.25 42.07 1p2q s ASN 44 CO -0.06 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.40 1p2q s PHE 45 N 2.58 1.83 -0.76 0.43 0.40 0.48 -4.92 117.98 118.02 1p2q s PHE 45 Ca 0.12 -0.44 0.26 0.00 -0.60 0.00 0.00 56.93 56.27 1p2q s PHE 45 Cb -0.15 -0.96 0.73 0.00 0.51 0.00 0.00 43.02 43.15 1p2q s PHE 45 CO -0.16 0.27 1.66 1.63 0.70 0.00 0.00 175.22 179.32 1p2q n LYS 46 N 0.71 0.22 -3.89 0.44 5.02 -1.26 -0.43 118.16 118.96 1p2q n LYS 46 Ca -0.17 0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1p2q n LYS 46 Cb 0.55 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 1p2q n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2q s SER 47 N -4.14 0.10 0.31 4.39 1.04 -1.26 -4.86 113.70 109.28 1p2q s SER 47 Ca 0.10 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1p2q s SER 47 Cb 0.14 0.24 0.50 0.00 0.10 0.00 0.00 66.02 67.00 1p2q s SER 47 CO 0.63 -0.49 1.85 0.00 0.98 0.00 0.00 173.24 176.20 1p2q h ALA 48 N 3.74 1.29 -0.24 5.32 0.00 -1.97 -2.59 119.26 124.80 1p2q h ALA 48 Ca -0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1p2q h ALA 48 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1p2q h ALA 48 CO 0.48 0.49 0.12 1.49 0.00 0.00 0.00 179.25 181.82 1p2q h GLU 49 N 0.65 0.35 -0.76 0.00 4.81 -1.99 0.01 114.58 117.64 1p2q h GLU 49 Ca 0.14 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1p2q h GLU 49 Cb 0.32 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1p2q h GLU 49 CO 0.01 0.35 0.50 -0.44 -0.73 0.00 0.00 179.01 178.69 1p2q h ASP 50 N 0.26 0.85 -0.31 1.04 3.32 -1.94 -0.62 116.42 119.02 1p2q h ASP 50 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1p2q h ASP 50 Cb 0.12 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1p2q h ASP 50 CO -0.01 0.60 0.13 0.00 -1.72 0.00 0.00 179.24 178.24 1p2q h LEU 52 N 0.35 0.66 -1.22 0.00 3.38 -0.65 0.17 115.31 118.00 1p2q h LEU 52 Ca 0.10 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1p2q h LEU 52 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1p2q h LEU 52 CO -0.01 0.83 -0.27 0.03 0.09 0.00 0.00 178.44 179.11 1p2q h ARG 53 N 0.61 0.00 0.03 1.13 3.08 -0.99 0.32 114.38 118.56 1p2q h ARG 53 Ca 0.10 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.79 1p2q h ARG 53 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1p2q h ARG 53 CO 0.04 0.27 -2.23 2.41 -1.07 0.00 0.00 179.97 179.39 1p2q n THR 54 N -3.54 1.56 0.05 2.04 -1.04 -0.77 -4.69 114.28 107.89 1p2q n THR 54 Ca -0.01 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1p2q n THR 54 Cb 0.42 -1.25 -0.00 0.00 -1.82 0.00 0.00 70.33 67.67 1p2q n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p2q n GLY 56 N 0.75 0.56 1.83 0.00 0.00 0.10 -1.23 105.19 107.19 1p2q n GLY 56 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1p2q n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2q n GLY 57 N 2.99 1.15 0.00 -0.02 0.00 -1.26 -4.99 105.19 103.06 1p2q n GLY 57 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1p2q n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32