#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6u n GLN 2 N 0.00 0.00 -0.20 0.03 0.00 -1.26 0.14 117.38 116.09 1f6u n GLN 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.00 56.97 1f6u n GLN 2 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 30.24 30.40 1f6u n GLN 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1f6u h LYS 3 N 0.00 0.98 0.00 2.61 6.56 -2.08 -0.98 116.57 123.65 1f6u h LYS 3 Ca 0.00 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1f6u h LYS 3 Cb 0.00 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.50 1f6u h LYS 3 CO 0.00 0.81 0.18 0.78 -2.06 0.00 0.00 179.45 179.15 1f6u h GLY 4 N 1.04 0.00 0.68 3.86 0.00 -2.02 -0.31 103.07 106.32 1f6u h GLY 4 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.63 1f6u h GLY 4 CO -0.02 0.00 0.61 -0.57 0.00 0.00 0.00 176.54 176.56 1f6u h ASN 5 N 0.00 0.95 0.00 0.19 -1.24 0.27 0.33 115.58 116.08 1f6u h ASN 5 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1f6u h ASN 5 Cb 0.35 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1f6u h ASN 5 CO 0.00 0.59 0.01 0.33 -1.29 0.00 0.00 177.43 177.07 1f6u n PHE 6 N -4.56 0.66 0.24 0.67 7.35 -0.12 -1.46 117.46 120.23 1f6u n PHE 6 Ca 0.15 0.35 0.14 0.00 -0.76 0.00 0.00 57.45 57.33 1f6u n PHE 6 Cb 0.22 -1.05 0.76 0.00 0.35 0.00 0.00 39.48 39.76 1f6u n PHE 6 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1f6u h ARG 7 N 0.00 0.00 0.00 -4.13 2.43 -0.49 0.14 114.38 112.33 1f6u h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6u h ARG 7 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1f6u h ARG 7 CO 0.00 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.73 1f6u n ASN 8 N -2.54 0.49 0.12 -3.80 6.94 -0.54 -1.49 115.26 114.44 1f6u n ASN 8 Ca -0.02 0.71 0.17 0.00 -0.02 0.00 0.00 54.58 55.42 1f6u n ASN 8 Cb 0.14 -0.78 0.72 0.00 -2.36 0.00 0.00 39.78 37.50 1f6u n ASN 8 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1f6u h GLN 9 N 0.00 0.00 -0.00 -3.83 4.15 -0.81 0.22 115.11 114.83 1f6u h GLN 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1f6u h GLN 9 Cb 0.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1f6u h GLN 9 CO 0.00 0.00 0.17 -0.09 -1.93 0.00 0.00 178.83 176.98 1f6u h ARG 10 N 0.00 0.00 -0.72 1.69 2.43 -1.51 0.24 114.38 116.51 1f6u h ARG 10 Ca 0.15 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.89 1f6u h ARG 10 Cb 0.65 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 29.79 1f6u h ARG 10 CO -0.00 0.00 -0.95 1.17 -1.51 0.00 0.00 179.97 178.68 1f6u n LYS 11 N -2.99 2.74 0.00 0.20 4.81 0.75 -5.08 118.16 118.59 1f6u n LYS 11 Ca -0.02 -3.89 0.00 0.00 -0.87 0.00 0.00 58.31 53.52 1f6u n LYS 11 Cb 0.23 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1f6u n THR 12 N -0.60 0.00 -4.23 3.15 -1.04 0.07 -5.06 114.28 106.56 1f6u n THR 12 Ca 0.28 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.16 1f6u n THR 12 Cb 0.87 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.34 1f6u n THR 12 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1f6u n VAL 13 N -1.03 0.00 -4.03 12.58 3.14 -1.26 -3.84 118.33 123.89 1f6u n VAL 13 Ca 0.00 -1.32 -0.26 0.00 -2.96 0.00 0.00 64.34 59.80 1f6u n VAL 13 Cb 0.00 0.54 -0.17 0.00 -1.06 0.00 0.00 33.84 33.15 1f6u n VAL 13 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1f6u s LYS 14 N -2.82 1.44 -0.38 1.45 2.20 -1.25 -0.60 119.74 119.78 1f6u s LYS 14 Ca 0.15 -0.24 -0.25 0.00 -0.36 0.00 0.00 55.97 55.27 1f6u s LYS 14 Cb 0.01 -1.46 0.01 0.00 -1.51 0.00 0.00 37.83 34.89 1f6u s LYS 14 CO 0.11 -0.21 0.86 0.00 -0.36 0.00 0.00 175.35 175.75 1f6u n PHE 16 N 6.67 0.13 -0.06 0.00 -1.74 -1.26 0.34 117.46 121.53 1f6u n PHE 16 Ca 0.05 -0.06 -0.09 0.00 -0.56 0.00 0.00 57.45 56.78 1f6u n PHE 16 Cb 0.48 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.45 1f6u n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1f6u n ASN 17 N -0.23 1.64 -0.03 5.98 5.15 -1.26 -4.73 115.26 121.77 1f6u n ASN 17 Ca 0.05 0.27 -0.11 0.00 -0.60 0.00 0.00 54.58 54.19 1f6u n ASN 17 Cb 0.10 -0.62 -0.14 0.00 -0.53 0.00 0.00 39.78 38.59 1f6u n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f6u n GLY 19 N 1.67 2.76 3.09 0.00 0.00 0.15 -5.05 105.19 107.81 1f6u n GLY 19 Ca -0.22 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1f6u n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6u n LYS 20 N 0.00 -1.28 -4.46 1.61 4.01 -1.26 -4.03 118.16 112.76 1f6u n LYS 20 Ca 0.00 -0.37 -0.23 0.00 -0.51 0.00 0.00 58.31 57.20 1f6u n LYS 20 Cb 0.00 -1.40 -0.10 0.00 -0.51 0.00 0.00 35.03 33.02 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1f6u s GLU 21 N -2.97 1.63 0.00 1.97 4.04 -1.26 -0.30 118.70 121.80 1f6u s GLU 21 Ca 0.41 -1.77 0.00 0.00 0.04 0.00 0.00 54.97 53.65 1f6u s GLU 21 Cb -0.03 -1.57 0.00 0.00 0.02 0.00 0.00 34.13 32.55 1f6u s GLU 21 CO 0.51 0.23 0.00 0.41 -1.84 0.00 0.00 175.26 174.58 1f6u n GLY 22 N -0.60 1.60 3.24 -3.83 0.00 0.23 -4.85 105.19 100.97 1f6u n GLY 22 Ca -0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1f6u n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1f6u n HIS 23 N 0.00 -0.96 -4.42 1.61 1.44 -1.26 -4.18 115.22 107.45 1f6u n HIS 23 Ca 0.00 -2.69 -0.21 0.00 -2.01 0.00 0.00 57.72 52.81 1f6u n HIS 23 Cb 0.00 0.36 -0.10 0.00 0.12 0.00 0.00 29.99 30.36 1f6u n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1f6u s ILE 24 N -3.22 1.82 0.29 0.61 -4.36 -1.26 -2.08 121.20 113.00 1f6u s ILE 24 Ca 0.37 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1f6u s ILE 24 Cb 0.01 -2.32 0.28 0.00 1.25 0.00 0.00 42.46 41.69 1f6u s ILE 24 CO 0.26 -0.40 1.80 0.00 0.24 0.00 0.00 174.94 176.84 1f6u h ALA 25 N 2.35 1.55 -1.73 2.27 0.00 -1.90 0.25 119.26 122.05 1f6u h ALA 25 Ca -0.39 0.06 0.50 0.00 0.00 0.00 0.00 54.91 55.07 1f6u h ALA 25 Cb 1.23 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1f6u h ALA 25 CO 0.65 0.06 1.38 0.36 0.00 0.00 0.00 179.25 181.69 1f6u n LYS 26 N -4.72 0.00 -2.89 0.00 2.85 -1.26 -1.03 118.16 111.11 1f6u n LYS 26 Ca 0.21 1.07 -0.12 0.00 -1.05 0.00 0.00 58.31 58.41 1f6u n LYS 26 Cb 0.46 -2.52 0.04 0.00 -0.65 0.00 0.00 35.03 32.37 1f6u n LYS 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1f6u n ASN 27 N -3.73 -0.86 -4.78 -5.58 2.04 0.78 -5.12 115.26 98.00 1f6u n ASN 27 Ca 0.39 -3.27 -0.37 0.00 -0.44 0.00 0.00 54.58 50.89 1f6u n ASN 27 Cb 1.89 0.73 -0.04 0.00 -2.53 0.00 0.00 39.78 39.84 1f6u n ASN 27 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1f6u n ARG 29 N 0.03 3.53 -1.53 0.00 0.63 -1.26 -4.93 116.66 113.14 1f6u n ARG 29 Ca 0.04 -2.22 -0.46 0.00 -0.92 0.00 0.00 57.85 54.30 1f6u n ARG 29 Cb 0.49 -2.02 -0.05 0.00 0.45 0.00 0.00 32.46 31.33 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1f6u n ALA 30 N 0.30 1.42 -0.77 5.13 0.00 -1.26 -4.78 120.51 120.55 1f6u n ALA 30 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1f6u n ALA 30 Cb 0.98 -2.77 -0.12 0.00 0.00 0.00 0.00 19.45 17.53 1f6u n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1f6u n PRO 31 N 8.54 1.59 -2.23 0.00 -0.04 -1.26 -4.76 135.00 136.85 1f6u n PRO 31 Ca 0.36 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1f6u n PRO 31 Cb 0.36 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1f6u n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1f6u n ARG 32 N 2.72 -5.20 0.00 0.54 1.74 -1.26 -5.04 116.66 110.15 1f6u n ARG 32 Ca 0.34 3.72 0.00 0.00 -0.77 0.00 0.00 57.85 61.14 1f6u n ARG 32 Cb 0.65 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.73 1f6u n ARG 32 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1f6u n LYS 33 N 1.92 0.00 -1.72 5.56 2.85 -1.26 -5.11 118.16 120.39 1f6u n LYS 33 Ca 0.00 0.00 -0.67 0.00 -1.05 0.00 0.00 58.31 56.59 1f6u n LYS 33 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1f6u n LYS 34 N 0.00 0.00 -4.01 -1.58 4.01 -1.26 -4.58 118.16 110.74 1f6u n LYS 34 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.49 1f6u n LYS 34 Cb 0.00 -1.49 -0.15 0.00 -0.51 0.00 0.00 35.03 32.88 1f6u n LYS 34 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1f6u s GLY 35 N 2.77 1.44 -0.37 0.72 0.00 -0.93 0.02 107.32 110.98 1f6u s GLY 35 Ca 1.03 -1.50 -0.28 0.00 0.00 0.00 0.00 44.72 43.98 1f6u s GLY 35 CO 0.80 0.74 1.95 0.00 0.00 0.00 0.00 173.10 176.59 1f6u n TRP 37 N 11.54 0.52 -0.08 0.00 4.27 -1.26 -0.67 117.44 131.76 1f6u n TRP 37 Ca 0.25 -0.25 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 1f6u n TRP 37 Cb 0.48 -0.03 -0.13 0.00 -1.36 0.00 0.00 31.31 30.27 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1f6u n LYS 38 N 0.51 0.68 -0.08 -2.67 4.81 -1.26 -4.63 118.16 115.53 1f6u n LYS 38 Ca 0.12 0.16 -0.12 0.00 -0.87 0.00 0.00 58.31 57.60 1f6u n LYS 38 Cb 0.33 -1.59 -0.07 0.00 0.02 0.00 0.00 35.03 33.72 1f6u n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1f6u n GLY 40 N 2.64 1.93 3.34 0.00 0.00 0.15 -5.12 105.19 108.13 1f6u n GLY 40 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1f6u n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6u s LYS 41 N -0.56 2.18 0.49 1.61 1.02 -1.04 -4.97 119.74 118.46 1f6u s LYS 41 Ca 0.00 -0.89 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 1f6u s LYS 41 Cb 0.00 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1f6u s LYS 41 CO 0.00 0.57 0.72 -1.83 -0.92 0.00 0.00 175.35 173.89 1f6u s GLU 42 N -0.65 2.91 0.00 1.68 -1.05 -1.26 -0.45 118.70 119.88 1f6u s GLU 42 Ca 0.10 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 1f6u s GLU 42 Cb -0.10 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1f6u s GLU 42 CO -0.01 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.18 1f6u n GLY 43 N -2.20 1.03 3.44 -3.83 0.00 0.10 -4.88 105.19 98.86 1f6u n GLY 43 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1f6u n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1f6u n HIS 44 N -2.00 -1.79 -4.35 1.61 1.44 -0.31 -4.81 115.22 105.00 1f6u n HIS 44 Ca 0.00 -2.11 -0.19 0.00 -2.01 0.00 0.00 57.72 53.41 1f6u n HIS 44 Cb 0.00 0.68 -0.10 0.00 0.12 0.00 0.00 29.99 30.70 1f6u n HIS 44 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1f6u s GLN 45 N -2.51 1.56 0.17 -1.40 -2.07 -1.26 0.14 119.66 114.29 1f6u s GLN 45 Ca 0.23 -1.88 -0.15 0.00 -1.82 0.00 0.00 55.36 51.75 1f6u s GLN 45 Cb -0.02 -0.25 0.13 0.00 -1.09 0.00 0.00 33.01 31.77 1f6u s GLN 45 CO 0.17 -0.38 1.73 1.98 -1.32 0.00 0.00 175.29 177.46 1f6u h MET 46 N 2.23 0.22 0.00 9.60 1.85 -1.89 0.62 114.93 127.55 1f6u h MET 46 Ca -0.36 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.72 1f6u h MET 46 Cb 1.25 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.23 1f6u h MET 46 CO 0.57 0.15 0.07 0.87 -0.40 0.00 0.00 176.91 178.16 1f6u h LYS 47 N 0.23 0.00 0.00 0.39 1.79 -2.01 0.28 116.57 117.25 1f6u h LYS 47 Ca 0.21 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1f6u h LYS 47 Cb 0.25 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.81 1f6u h LYS 47 CO -0.27 0.00 -0.59 -0.25 -1.08 0.00 0.00 179.45 177.27 1f6u n ASP 48 N -2.60 1.54 -4.72 0.86 9.92 0.14 -5.07 116.55 116.62 1f6u n ASP 48 Ca -0.02 -3.33 -0.32 0.00 -0.53 0.00 0.00 54.79 50.59 1f6u n ASP 48 Cb 0.11 -0.46 0.12 0.00 -0.64 0.00 0.00 41.12 40.25 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1f6u n THR 50 N -3.47 0.00 0.19 0.00 -2.24 -1.26 -4.63 114.28 102.87 1f6u n THR 50 Ca 0.11 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.31 1f6u n THR 50 Cb 0.52 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 1f6u n THR 50 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1f6u h GLU 51 N 0.00 -0.84 -0.90 -0.78 4.81 -1.97 -0.64 114.58 114.26 1f6u h GLU 51 Ca 0.00 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1f6u h GLU 51 Cb 0.08 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 1f6u h GLU 51 CO 0.00 -0.56 0.59 0.07 -0.73 0.00 0.00 179.01 178.38 1f6u h ARG 52 N -0.87 0.94 -2.54 1.92 0.11 -1.99 -3.40 114.38 108.55 1f6u h ARG 52 Ca -0.03 -0.06 -0.18 0.00 0.10 0.00 0.00 59.98 59.82 1f6u h ARG 52 Cb 0.81 -0.21 -0.31 0.00 1.11 0.00 0.00 29.97 31.37 1f6u h ARG 52 CO -0.20 0.62 -0.48 -1.14 0.10 0.00 0.00 179.97 178.88 1f6u s GLN 53 N -5.87 0.24 -0.84 0.08 2.00 -0.61 -5.07 119.66 109.59 1f6u s GLN 53 Ca -0.11 0.75 0.01 0.00 -2.00 0.00 0.00 55.36 54.01 1f6u s GLN 53 Cb 0.20 -0.12 0.27 0.00 0.80 0.00 0.00 33.01 34.17 1f6u s GLN 53 CO 0.80 -0.38 1.04 0.00 -0.50 0.00 0.00 175.29 176.25 1f6u n ALA 54 N 5.36 4.48 -0.16 1.58 0.00 -0.35 -4.18 120.51 127.24 1f6u n ALA 54 Ca -0.06 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.61 1f6u n ALA 54 Cb 0.50 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1f6u n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79