#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 -0.35 0.03 6.02 -1.26 -4.10 117.38 117.73 1f6u n GLN 2 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1f6u n GLN 2 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 1f6u n GLN 2 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1f6u h LYS 3 N 0.00 1.15 -0.07 -1.09 1.79 -2.08 0.47 116.57 116.74 1f6u h LYS 3 Ca 0.00 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1f6u h LYS 3 Cb 0.00 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.39 1f6u h LYS 3 CO 0.00 0.76 0.08 0.78 -1.08 0.00 0.00 179.45 179.99 1f6u h GLY 4 N 1.19 0.00 1.22 3.86 0.00 -2.04 -0.08 103.07 107.22 1f6u h GLY 4 Ca 0.37 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.74 1f6u h GLY 4 CO -0.12 0.00 0.42 3.43 0.00 0.00 0.00 176.54 180.27 1f6u h ASN 5 N 0.00 0.61 0.01 0.19 4.21 -1.23 0.21 115.58 119.59 1f6u h ASN 5 Ca 0.03 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1f6u h ASN 5 Cb 0.20 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1f6u h ASN 5 CO -0.00 0.41 0.00 0.33 -1.29 0.00 0.00 177.43 176.88 1f6u n PHE 6 N -4.47 0.50 0.11 1.19 -0.00 -0.04 -1.41 117.46 113.34 1f6u n PHE 6 Ca 0.08 0.26 0.06 0.00 -0.00 0.00 0.00 57.45 57.85 1f6u n PHE 6 Cb 0.17 -0.92 0.32 0.00 -0.00 0.00 0.00 39.48 39.05 1f6u n PHE 6 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1f6u n ARG 7 N -2.01 0.08 0.12 -4.13 0.63 0.74 -1.29 116.66 110.80 1f6u n ARG 7 Ca -0.01 0.56 0.08 0.00 -0.92 0.00 0.00 57.85 57.56 1f6u n ARG 7 Cb 0.03 -1.74 0.44 0.00 0.45 0.00 0.00 32.46 31.64 1f6u n ARG 7 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1f6u n ASN 8 N -1.90 0.42 -0.12 6.15 6.94 -0.50 -1.42 115.26 124.83 1f6u n ASN 8 Ca -0.00 0.69 0.14 0.00 -0.02 0.00 0.00 54.58 55.39 1f6u n ASN 8 Cb 0.03 -0.74 0.51 0.00 -2.36 0.00 0.00 39.78 37.22 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 0.38 0.00 -3.83 5.75 -1.34 0.35 115.11 116.42 1f6u h GLN 9 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1f6u h GLN 9 Cb 0.02 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1f6u h GLN 9 CO 0.00 0.25 0.19 -0.09 -2.65 0.00 0.00 178.83 176.53 1f6u h ARG 10 N 0.39 0.00 -0.79 1.69 9.65 -1.51 0.96 114.38 124.77 1f6u h ARG 10 Ca 0.33 0.00 -0.44 0.00 -1.10 0.00 0.00 59.98 58.76 1f6u h ARG 10 Cb 0.73 0.00 -0.42 0.00 -1.39 0.00 0.00 29.97 28.89 1f6u h ARG 10 CO -0.09 0.00 -0.94 1.63 2.80 0.00 0.00 179.97 183.37 1f6u n LYS 11 N -2.71 2.76 -0.43 0.20 5.02 0.12 -5.08 118.16 118.03 1f6u n LYS 11 Ca -0.02 -3.93 0.00 0.00 -2.02 0.00 0.00 58.31 52.34 1f6u n LYS 11 Cb 0.24 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1f6u n THR 12 N -0.58 -0.85 -4.36 -0.18 -1.04 0.33 -5.00 114.28 102.61 1f6u n THR 12 Ca 0.28 0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 62.55 1f6u n THR 12 Cb 0.86 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 68.66 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 -1.78 0.00 -4.07 12.58 3.14 -1.26 -4.08 118.33 122.86 1f6u n VAL 13 Ca 0.00 -1.17 -0.32 0.00 -2.96 0.00 0.00 64.34 59.89 1f6u n VAL 13 Cb 0.13 0.26 -0.16 0.00 -1.06 0.00 0.00 33.84 33.01 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 -2.88 2.52 -0.56 1.45 2.20 -1.26 -0.15 119.74 121.06 1f6u s LYS 14 Ca 0.01 -0.91 -0.27 0.00 -0.36 0.00 0.00 55.97 54.44 1f6u s LYS 14 Cb 0.00 -2.54 0.03 0.00 -1.51 0.00 0.00 37.83 33.81 1f6u s LYS 14 CO 0.01 -0.34 1.13 0.00 -0.36 0.00 0.00 175.35 175.79 1f6u n PHE 16 N 8.14 0.00 0.00 0.00 -1.74 -1.26 0.25 117.46 122.85 1f6u n PHE 16 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 1f6u n PHE 16 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 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 -0.97 0.00 0.11 5.98 5.15 -1.26 -4.66 115.26 119.61 1f6u n ASN 17 Ca 0.16 0.01 -0.03 0.00 -0.60 0.00 0.00 54.58 54.13 1f6u n ASN 17 Cb 0.07 -0.16 0.19 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.05 2.46 1.94 0.00 0.00 0.14 -5.06 105.19 104.71 1f6u n GLY 19 Ca -0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -1.46 -4.23 1.61 4.81 -1.25 -4.14 118.16 113.50 1f6u n LYS 20 Ca 0.00 -0.55 -0.15 0.00 -0.87 0.00 0.00 58.31 56.74 1f6u n LYS 20 Cb 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 35.03 33.96 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 -3.08 1.00 0.00 1.64 1.03 -1.26 -0.07 118.70 117.96 1f6u s GLU 21 Ca 0.25 -1.34 0.00 0.00 0.03 0.00 0.00 54.97 53.92 1f6u s GLU 21 Cb -0.04 -0.65 0.00 0.00 -0.80 0.00 0.00 34.13 32.64 1f6u s GLU 21 CO 0.21 0.09 0.00 0.41 -1.33 0.00 0.00 175.26 174.65 1f6u n GLY 22 N 0.13 1.72 3.33 -3.83 0.00 0.79 -4.80 105.19 102.54 1f6u n GLY 22 Ca -0.13 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.89 1.74 0.28 1.61 -3.43 -1.26 -4.02 115.29 109.31 1f6u s HIS 23 Ca 0.00 -1.58 0.11 0.00 -0.80 0.00 0.00 55.06 52.79 1f6u s HIS 23 Cb 0.00 -0.81 -0.05 0.00 -1.43 0.00 0.00 32.58 30.29 1f6u s HIS 23 CO 0.00 -0.74 -0.17 0.96 -2.00 0.00 0.00 174.74 172.79 1f6u s ILE 24 N -3.42 2.30 0.34 -5.38 -4.36 -1.26 -2.66 121.20 106.76 1f6u s ILE 24 Ca 0.37 -2.34 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 1f6u s ILE 24 Cb 0.02 -2.32 0.31 0.00 1.25 0.00 0.00 42.46 41.73 1f6u s ILE 24 CO 0.24 -0.40 1.87 0.00 0.24 0.00 0.00 174.94 176.89 1f6u h ALA 25 N 2.28 1.76 -1.89 2.27 0.00 -1.91 0.11 119.26 121.87 1f6u h ALA 25 Ca -0.40 0.02 0.55 0.00 0.00 0.00 0.00 54.91 55.07 1f6u h ALA 25 Cb 1.25 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1f6u h ALA 25 CO 0.62 0.00 1.41 -0.22 0.00 0.00 0.00 179.25 181.06 1f6u h LYS 26 N 0.76 0.00 -0.80 0.00 3.64 -2.00 -0.59 116.57 117.58 1f6u h LYS 26 Ca 0.45 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.50 1f6u h LYS 26 Cb 0.65 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.21 1f6u h LYS 26 CO -0.21 0.00 -0.78 0.27 -2.27 0.00 0.00 179.45 176.46 1f6u n ASN 27 N -3.87 -0.73 -4.77 4.20 2.04 0.29 -5.13 115.26 107.29 1f6u n ASN 27 Ca 0.43 -3.16 -0.35 0.00 -0.44 0.00 0.00 54.58 51.06 1f6u n ASN 27 Cb 1.98 0.63 0.01 0.00 -2.53 0.00 0.00 39.78 39.87 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 -1.51 1.97 -1.21 0.00 0.63 -1.26 -5.05 116.66 110.23 1f6u n ARG 29 Ca 0.11 -3.16 -0.38 0.00 -0.92 0.00 0.00 57.85 53.50 1f6u n ARG 29 Cb 0.51 -1.93 0.02 0.00 0.45 0.00 0.00 32.46 31.51 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 -1.13 -3.42 -0.69 5.13 0.00 -1.26 -4.66 120.51 114.48 1f6u n ALA 30 Ca 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 1f6u n ALA 30 Cb 1.21 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 19.18 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 1.59 1.37 0.00 0.00 -0.04 -1.26 -4.71 135.00 131.95 1f6u n PRO 31 Ca 0.06 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1f6u n PRO 31 Cb 0.49 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 2.45 0.00 -0.01 0.54 1.74 -1.26 -5.07 116.66 115.04 1f6u n ARG 32 Ca 0.27 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1f6u n ARG 32 Cb 0.64 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.08 1f6u n ARG 32 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1f6u h LYS 33 N 0.00 0.00 -4.99 5.56 1.57 -2.00 -3.47 116.57 113.25 1f6u h LYS 33 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1f6u h LYS 33 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 1f6u h LYS 33 CO 0.00 0.00 -0.85 0.21 -0.57 0.00 0.00 179.45 178.24 1f6u s LYS 34 N -1.16 2.31 -0.12 3.15 2.20 -1.26 -5.04 119.74 119.81 1f6u s LYS 34 Ca -0.00 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.67 1f6u s LYS 34 Cb 0.00 -1.82 0.08 0.00 -1.51 0.00 0.00 37.83 34.58 1f6u s LYS 34 CO 0.00 0.12 0.72 0.20 -0.36 0.00 0.00 175.35 176.03 1f6u s GLY 35 N 0.45 -0.54 -0.49 5.54 0.00 -0.94 -1.52 107.32 109.82 1f6u s GLY 35 Ca -0.15 1.57 -0.28 0.00 0.00 0.00 0.00 44.72 45.86 1f6u s GLY 35 CO 0.06 1.18 1.63 0.00 0.00 0.00 0.00 173.10 175.97 1f6u n TRP 37 N 10.49 1.00 -0.05 0.00 -0.00 -1.26 -1.06 117.44 126.56 1f6u n TRP 37 Ca 0.18 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.50 57.28 1f6u n TRP 37 Cb 0.49 -0.30 -0.08 0.00 -0.00 0.00 0.00 31.31 31.42 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 0.30 2.15 -0.06 -2.67 0.00 -1.26 -4.75 118.16 111.87 1f6u n LYS 38 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.34 1f6u n LYS 38 Cb 0.70 -1.27 -0.05 0.00 0.00 0.00 0.00 35.03 34.42 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 2.67 1.89 3.05 0.00 0.00 -0.22 -5.12 105.19 107.45 1f6u n GLY 40 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.32 2.15 0.72 1.61 1.02 -1.04 -4.98 119.74 118.90 1f6u s LYS 41 Ca 0.00 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.36 1f6u s LYS 41 Cb 0.00 -1.85 0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1f6u s LYS 41 CO 0.00 -0.07 1.08 -1.83 -0.92 0.00 0.00 175.35 173.60 1f6u s GLU 42 N 1.02 2.43 0.00 1.68 4.04 -1.26 0.26 118.70 126.87 1f6u s GLU 42 Ca -0.06 0.12 0.00 0.00 0.04 0.00 0.00 54.97 55.07 1f6u s GLU 42 Cb -0.15 -2.07 0.00 0.00 0.02 0.00 0.00 34.13 31.93 1f6u s GLU 42 CO -0.02 -1.21 0.00 0.41 -1.84 0.00 0.00 175.26 172.60 1f6u n GLY 43 N -3.02 0.76 2.57 -3.83 0.00 -0.58 -4.79 105.19 96.30 1f6u n GLY 43 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.43 -0.86 -4.31 1.61 1.44 -1.25 -4.97 115.22 104.46 1f6u n HIS 44 Ca 0.00 -0.73 -0.16 0.00 -2.01 0.00 0.00 57.72 54.81 1f6u n HIS 44 Cb 0.00 0.35 -0.10 0.00 0.12 0.00 0.00 29.99 30.36 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 -2.03 1.42 0.37 -1.40 -2.07 -1.26 0.21 119.66 114.89 1f6u s GLN 45 Ca 0.17 -1.77 0.14 0.00 -1.82 0.00 0.00 55.36 52.07 1f6u s GLN 45 Cb -0.01 -0.20 0.97 0.00 -1.09 0.00 0.00 33.01 32.67 1f6u s GLN 45 CO 0.02 -0.32 1.79 0.00 -1.32 0.00 0.00 175.29 175.46 1f6u h MET 46 N 2.38 0.52 -1.01 9.60 -0.00 -1.90 0.53 114.93 125.05 1f6u h MET 46 Ca -0.38 -0.03 0.07 0.00 -0.00 0.00 0.00 59.70 59.36 1f6u h MET 46 Cb 1.25 -0.12 -0.07 0.00 -0.00 0.00 0.00 31.60 32.66 1f6u h MET 46 CO 0.59 0.34 0.65 0.87 -0.00 0.00 0.00 176.91 179.36 1f6u h LYS 47 N 0.53 1.13 -0.60 -0.10 1.57 -2.00 -0.53 116.57 116.57 1f6u h LYS 47 Ca 0.56 -0.07 -0.34 0.00 -1.87 0.00 0.00 60.65 58.93 1f6u h LYS 47 Cb 1.21 -0.26 -0.20 0.00 0.08 0.00 0.00 32.23 33.06 1f6u h LYS 47 CO -0.31 0.75 0.12 -0.25 -0.57 0.00 0.00 179.45 179.19 1f6u n ASP 48 N -4.51 3.48 -4.63 0.86 9.92 0.15 -5.03 116.55 116.80 1f6u n ASP 48 Ca 0.16 -3.75 -0.32 0.00 -0.53 0.00 0.00 54.79 50.35 1f6u n ASP 48 Cb 0.20 -0.69 0.16 0.00 -0.64 0.00 0.00 41.12 40.14 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 -4.01 0.00 -0.33 0.00 5.66 -1.26 -4.89 114.28 109.44 1f6u n THR 50 Ca 0.11 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.23 1f6u n THR 50 Cb 0.52 0.79 0.24 0.00 -1.55 0.00 0.00 70.33 70.32 1f6u n THR 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1f6u n GLU 51 N 0.00 -0.08 0.05 1.09 0.28 -1.26 0.54 120.64 121.26 1f6u n GLU 51 Ca 0.00 1.43 -0.13 0.00 -0.16 0.00 0.00 57.16 58.31 1f6u n GLU 51 Cb 0.58 -2.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.15 1f6u n GLU 51 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1f6u h ARG 52 N 0.00 -0.51 -6.84 3.44 9.65 -1.99 -3.41 114.38 114.73 1f6u h ARG 52 Ca 0.54 0.03 -0.50 0.00 -1.10 0.00 0.00 59.98 58.95 1f6u h ARG 52 Cb 1.04 0.12 0.03 0.00 -1.39 0.00 0.00 29.97 29.76 1f6u h ARG 52 CO -0.91 -0.34 0.49 -1.14 2.80 0.00 0.00 179.97 180.87 1f6u s GLN 53 N -5.94 4.51 -1.30 0.20 2.00 0.19 -4.93 119.66 114.39 1f6u s GLN 53 Ca -0.16 1.84 -0.06 0.00 -2.00 0.00 0.00 55.36 54.97 1f6u s GLN 53 Cb 0.09 -3.07 0.14 0.00 0.80 0.00 0.00 33.01 30.97 1f6u s GLN 53 CO 0.64 0.08 2.20 0.00 -0.50 0.00 0.00 175.29 177.72 1f6u n ALA 54 N 0.92 6.34 -1.31 1.58 0.00 -1.26 -4.89 120.51 121.90 1f6u n ALA 54 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1f6u n ALA 54 Cb 0.45 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1f6u n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77