#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 -1.16 0.21 3.17 6.02 -1.26 -4.75 117.38 119.61 1f6u n GLN 2 Ca 0.00 0.53 0.15 0.00 -0.01 0.00 0.00 57.00 57.67 1f6u n GLN 2 Cb 0.00 -2.16 0.77 0.00 1.02 0.00 0.00 30.24 29.88 1f6u n GLN 2 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1f6u h LYS 3 N -0.81 0.00 0.00 -1.09 3.64 -2.09 0.18 116.57 116.40 1f6u h LYS 3 Ca -0.64 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 1f6u h LYS 3 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1f6u h LYS 3 CO 0.39 0.00 0.02 0.78 -2.27 0.00 0.00 179.45 178.37 1f6u h GLY 4 N 0.00 0.00 1.14 5.01 0.00 -2.04 -0.93 103.07 106.25 1f6u h GLY 4 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.46 1f6u h GLY 4 CO -0.00 0.00 0.42 3.43 0.00 0.00 0.00 176.54 180.39 1f6u h ASN 5 N 0.00 0.57 0.00 0.19 2.35 -0.95 0.25 115.58 117.99 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f6u h ASN 5 Cb 0.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1f6u h ASN 5 CO 0.00 0.37 0.03 0.49 -1.65 0.00 0.00 177.43 176.67 1f6u n PHE 6 N -4.48 0.62 0.26 1.19 3.01 -0.35 -1.48 117.46 116.23 1f6u n PHE 6 Ca 0.09 0.33 0.15 0.00 1.01 0.00 0.00 57.45 59.02 1f6u n PHE 6 Cb 0.23 -1.00 0.78 0.00 -0.01 0.00 0.00 39.48 39.47 1f6u n PHE 6 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1f6u h ARG 7 N 0.00 0.00 0.00 -1.08 2.43 -0.69 0.20 114.38 115.24 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 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1f6u h ARG 7 CO 0.00 0.00 0.00 -1.71 -1.51 0.00 0.00 179.97 176.75 1f6u n ASN 8 N -2.61 0.57 -0.02 -3.80 5.15 -0.55 -1.43 115.26 112.57 1f6u n ASN 8 Ca -0.02 0.76 0.15 0.00 -0.60 0.00 0.00 54.58 54.87 1f6u n ASN 8 Cb 0.20 -0.83 0.59 0.00 -0.53 0.00 0.00 39.78 39.21 1f6u n ASN 8 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1f6u h GLN 9 N 0.00 0.19 -0.08 1.20 4.15 -0.81 0.32 115.11 120.07 1f6u h GLN 9 Ca 0.00 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1f6u h GLN 9 Cb 0.03 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 1f6u h GLN 9 CO 0.00 0.13 0.10 0.07 -1.93 0.00 0.00 178.83 177.20 1f6u h ARG 10 N 0.19 0.00 -0.01 1.69 0.11 -1.48 0.96 114.38 115.84 1f6u h ARG 10 Ca 0.24 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.32 1f6u h ARG 10 Cb 0.70 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 1f6u h ARG 10 CO -0.04 0.00 -0.29 1.63 0.10 0.00 0.00 179.97 181.37 1f6u n LYS 11 N -3.76 1.49 -0.15 0.08 4.76 0.10 -5.05 118.16 115.64 1f6u n LYS 11 Ca -0.01 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.41 1f6u n LYS 11 Cb 0.20 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1f6u n THR 12 N -1.24 -1.11 -2.06 -0.18 -1.04 0.33 -4.96 114.28 104.03 1f6u n THR 12 Ca 0.18 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.13 1f6u n THR 12 Cb 0.68 -1.11 0.04 0.00 -1.82 0.00 0.00 70.33 68.11 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 0.29 0.00 -3.85 12.58 3.14 -1.26 -4.44 118.33 124.80 1f6u n VAL 13 Ca 0.00 -0.36 -0.29 0.00 -2.96 0.00 0.00 64.34 60.73 1f6u n VAL 13 Cb 0.00 -1.41 -0.16 0.00 -1.06 0.00 0.00 33.84 31.21 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 -3.24 1.19 -0.33 1.45 2.20 -1.26 -0.97 119.74 118.77 1f6u s LYS 14 Ca 0.17 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1f6u s LYS 14 Cb -0.01 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 1f6u s LYS 14 CO 0.12 -0.60 1.37 0.00 -0.36 0.00 0.00 175.35 175.87 1f6u n PHE 16 N 8.14 0.09 0.01 0.00 7.35 -1.26 -0.29 117.46 131.49 1f6u n PHE 16 Ca 0.16 -0.03 -0.01 0.00 -0.76 0.00 0.00 57.45 56.81 1f6u n PHE 16 Cb 0.47 -0.08 -0.00 0.00 0.35 0.00 0.00 39.48 40.22 1f6u n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1f6u n ASN 17 N -0.12 0.46 0.13 -2.13 5.15 -1.26 -4.74 115.26 112.75 1f6u n ASN 17 Ca 0.01 0.06 0.12 0.00 -0.60 0.00 0.00 54.58 54.18 1f6u n ASN 17 Cb 0.20 -0.22 0.24 0.00 -0.53 0.00 0.00 39.78 39.47 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 1.24 0.64 0.68 0.00 0.00 0.60 -5.03 105.19 103.31 1f6u n GLY 19 Ca 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1f6u n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f6u n LYS 20 N -2.90 0.42 -4.11 1.61 4.81 -1.20 -4.77 118.16 112.02 1f6u n LYS 20 Ca -0.03 -0.47 -0.15 0.00 -0.87 0.00 0.00 58.31 56.79 1f6u n LYS 20 Cb 0.11 -0.13 -0.12 0.00 0.02 0.00 0.00 35.03 34.91 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1f6u s GLU 21 N -2.92 0.67 0.00 1.64 -1.05 -1.26 0.12 118.70 115.90 1f6u s GLU 21 Ca 0.12 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1f6u s GLU 21 Cb -0.01 -0.53 0.00 0.00 -0.44 0.00 0.00 34.13 33.15 1f6u s GLU 21 CO 0.08 0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.81 1f6u n GLY 22 N 1.34 1.79 3.18 -3.83 0.00 -0.15 -4.77 105.19 102.76 1f6u n GLY 22 Ca -0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1f6u n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1f6u s HIS 23 N -1.69 0.96 0.22 1.61 -3.43 -1.26 -4.11 115.29 107.59 1f6u s HIS 23 Ca 0.00 -1.27 0.10 0.00 -0.80 0.00 0.00 55.06 53.08 1f6u s HIS 23 Cb 0.00 -0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 30.61 1f6u s HIS 23 CO 0.00 -0.58 -0.12 0.96 -2.00 0.00 0.00 174.74 173.00 1f6u s ILE 24 N -4.09 3.00 0.36 -5.38 -4.36 -1.26 -1.97 121.20 107.50 1f6u s ILE 24 Ca 0.30 -1.89 0.10 0.00 -0.26 0.00 0.00 60.65 58.90 1f6u s ILE 24 Cb 0.07 -2.52 0.33 0.00 1.25 0.00 0.00 42.46 41.59 1f6u s ILE 24 CO 0.06 -0.21 1.86 0.00 0.24 0.00 0.00 174.94 176.88 1f6u h ALA 25 N 2.64 1.90 -1.58 2.27 0.00 -1.89 0.20 119.26 122.80 1f6u h ALA 25 Ca -0.45 0.02 0.46 0.00 0.00 0.00 0.00 54.91 54.94 1f6u h ALA 25 Cb 1.22 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1f6u h ALA 25 CO 0.55 -0.16 1.28 1.57 0.00 0.00 0.00 179.25 182.49 1f6u h LYS 26 N 0.64 0.00 -0.84 0.00 2.10 -1.99 -0.54 116.57 115.94 1f6u h LYS 26 Ca 0.47 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.78 1f6u h LYS 26 Cb 0.84 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.89 1f6u h LYS 26 CO -0.22 0.00 -0.81 0.27 -2.00 0.00 0.00 179.45 176.69 1f6u n ASN 27 N -3.76 -0.55 -4.77 7.07 2.04 0.63 -5.13 115.26 110.79 1f6u n ASN 27 Ca 0.35 -3.09 -0.33 0.00 -0.44 0.00 0.00 54.58 51.07 1f6u n ASN 27 Cb 1.75 0.50 0.04 0.00 -2.53 0.00 0.00 39.78 39.55 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 -2.33 4.00 -2.39 0.00 1.85 -1.26 -4.95 116.66 111.58 1f6u n ARG 29 Ca 0.10 -3.07 -0.43 0.00 -1.00 0.00 0.00 57.85 53.45 1f6u n ARG 29 Cb 0.52 -2.13 -0.02 0.00 -1.05 0.00 0.00 32.46 29.77 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1f6u s ALA 30 N -2.87 3.45 -0.10 2.89 0.00 -1.26 -4.88 121.76 118.99 1f6u s ALA 30 Ca 0.51 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 1f6u s ALA 30 Cb 0.40 -3.73 -0.19 0.00 0.00 0.00 0.00 23.12 19.60 1f6u s ALA 30 CO 0.13 -1.61 2.81 -0.35 0.00 0.00 0.00 175.76 176.74 1f6u n PRO 31 N 7.13 1.60 -4.31 0.00 -0.04 -1.26 -4.83 135.00 133.30 1f6u n PRO 31 Ca 0.15 -0.83 -0.35 0.00 -0.04 0.00 0.00 63.50 62.43 1f6u n PRO 31 Cb 0.46 -1.94 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 1f6u n PRO 31 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1f6u s ARG 32 N 1.62 3.35 0.00 0.54 0.52 -1.26 -5.04 118.95 118.68 1f6u s ARG 32 Ca 0.50 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 1f6u s ARG 32 Cb 0.23 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1f6u s ARG 32 CO -0.00 0.51 0.00 1.17 0.02 0.00 0.00 175.30 176.99 1f6u n LYS 33 N 2.75 0.00 -3.50 3.54 4.81 -1.26 -4.99 118.16 119.51 1f6u n LYS 33 Ca -0.18 0.20 -0.10 0.00 -0.87 0.00 0.00 58.31 57.36 1f6u n LYS 33 Cb 0.53 -0.64 -0.09 0.00 0.02 0.00 0.00 35.03 34.85 1f6u n LYS 33 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1f6u s LYS 34 N -0.73 0.31 -0.04 1.64 1.02 -1.26 -5.14 119.74 115.54 1f6u s LYS 34 Ca 0.00 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.42 1f6u s LYS 34 Cb 0.00 -0.18 0.09 0.00 -0.52 0.00 0.00 37.83 37.23 1f6u s LYS 34 CO 0.00 -0.46 0.80 0.20 -0.92 0.00 0.00 175.35 174.97 1f6u s GLY 35 N 2.54 -0.47 -0.51 -3.33 0.00 -1.13 -1.54 107.32 102.88 1f6u s GLY 35 Ca 0.06 1.31 -0.28 0.00 0.00 0.00 0.00 44.72 45.81 1f6u s GLY 35 CO -0.14 0.70 1.58 0.00 0.00 0.00 0.00 173.10 175.25 1f6u n TRP 37 N 10.33 0.74 -0.09 0.00 -0.00 -1.26 -0.72 117.44 126.45 1f6u n TRP 37 Ca 0.16 -0.29 -0.11 0.00 -0.00 0.00 0.00 57.50 57.27 1f6u n TRP 37 Cb 0.49 -0.17 -0.11 0.00 -0.00 0.00 0.00 31.31 31.52 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1f6u n LYS 38 N 0.36 1.01 -0.07 -2.67 0.00 -1.26 -4.73 118.16 110.81 1f6u n LYS 38 Ca 0.12 0.05 -0.11 0.00 0.00 0.00 0.00 58.31 58.36 1f6u n LYS 38 Cb 0.52 -1.40 -0.05 0.00 0.00 0.00 0.00 35.03 34.09 1f6u n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f6u n GLY 40 N 2.56 1.99 3.08 0.00 0.00 0.11 -5.11 105.19 107.81 1f6u n GLY 40 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.25 2.50 0.72 1.61 -0.14 -1.02 -4.95 119.74 118.22 1f6u s LYS 41 Ca 0.00 -1.04 -0.11 0.00 -1.36 0.00 0.00 55.97 53.47 1f6u s LYS 41 Cb 0.00 -2.66 0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1f6u s LYS 41 CO 0.00 -0.39 1.07 -1.83 -0.76 0.00 0.00 175.35 173.44 1f6u s GLU 42 N 1.24 2.70 0.00 1.68 1.03 -1.26 -0.12 118.70 123.96 1f6u s GLU 42 Ca -0.02 1.03 0.00 0.00 0.03 0.00 0.00 54.97 56.01 1f6u s GLU 42 Cb -0.16 -1.96 0.00 0.00 -0.80 0.00 0.00 34.13 31.21 1f6u s GLU 42 CO -0.09 -1.29 0.00 0.41 -1.33 0.00 0.00 175.26 172.96 1f6u n GLY 43 N -1.71 2.44 1.59 -3.83 0.00 -0.59 -4.77 105.19 98.32 1f6u n GLY 43 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.37 -0.11 -4.33 1.61 1.44 -1.25 -4.87 115.22 107.34 1f6u n HIS 44 Ca 0.00 -1.30 -0.17 0.00 -2.01 0.00 0.00 57.72 54.24 1f6u n HIS 44 Cb 0.00 0.05 -0.10 0.00 0.12 0.00 0.00 29.99 30.06 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 -2.71 1.39 0.24 -1.40 -2.07 -1.26 0.21 119.66 114.06 1f6u s GLN 45 Ca 0.14 -1.74 -0.04 0.00 -1.82 0.00 0.00 55.36 51.90 1f6u s GLN 45 Cb 0.01 -0.44 0.43 0.00 -1.09 0.00 0.00 33.01 31.92 1f6u s GLN 45 CO 0.10 -0.21 1.77 1.98 -1.32 0.00 0.00 175.29 177.60 1f6u h MET 46 N 2.40 0.59 -0.34 9.60 1.85 -1.90 0.55 114.93 127.68 1f6u h MET 46 Ca -0.38 -0.04 0.10 0.00 -0.61 0.00 0.00 59.70 58.77 1f6u h MET 46 Cb 1.24 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.12 1f6u h MET 46 CO 0.63 0.39 0.39 -0.22 -0.40 0.00 0.00 176.91 177.70 1f6u h LYS 47 N 0.61 0.00 -0.30 0.39 3.64 -2.00 0.26 116.57 119.17 1f6u h LYS 47 Ca 0.41 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.55 1f6u h LYS 47 Cb 0.51 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.07 1f6u h LYS 47 CO -0.32 0.00 -0.78 -0.25 -2.27 0.00 0.00 179.45 175.83 1f6u n ASP 48 N -3.68 2.59 -4.68 4.20 8.00 0.16 -5.08 116.55 118.07 1f6u n ASP 48 Ca 0.06 -3.27 -0.36 0.00 0.71 0.00 0.00 54.79 51.92 1f6u n ASP 48 Cb 0.54 -0.42 0.08 0.00 -0.02 0.00 0.00 41.12 41.30 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f6u h THR 50 N 0.18 0.62 -2.26 0.00 1.35 -1.89 -3.38 112.91 107.54 1f6u h THR 50 Ca -0.49 -2.12 -0.59 0.00 -0.55 0.00 0.00 66.41 62.66 1f6u h THR 50 Cb 1.34 2.15 -0.42 0.00 -1.73 0.00 0.00 68.15 69.49 1f6u h THR 50 CO 0.50 0.35 -0.66 -0.62 -0.25 0.00 0.00 175.52 174.85 1f6u n GLU 51 N -2.97 2.99 -1.69 4.72 1.02 -1.26 -5.06 120.64 118.38 1f6u n GLU 51 Ca -0.08 -4.75 -0.42 0.00 -0.02 0.00 0.00 57.16 51.89 1f6u n GLU 51 Cb 0.84 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1f6u n GLU 51 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1f6u s ARG 52 N -3.22 4.13 0.00 3.49 3.52 -1.26 -3.21 118.95 122.41 1f6u s ARG 52 Ca 0.47 2.62 0.00 0.00 -0.13 0.00 0.00 55.73 58.68 1f6u s ARG 52 Cb 0.26 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1f6u s ARG 52 CO -0.11 -0.87 0.00 0.94 -0.81 0.00 0.00 175.30 174.45 1f6u n GLN 53 N 6.04 0.00 -2.70 5.12 -0.06 -1.26 -4.63 117.38 119.89 1f6u n GLN 53 Ca 0.18 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.12 1f6u n GLN 53 Cb 0.39 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.57 1f6u n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1f6u n ALA 54 N 0.00 -2.94 -0.49 1.69 0.00 -1.20 -5.23 120.51 112.34 1f6u n ALA 54 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.35 1f6u n ALA 54 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.38 1f6u n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79