#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6u s GLN 2 N 0.00 2.22 0.32 0.03 1.11 -1.26 -4.90 119.66 117.18 1f6u s GLN 2 Ca 0.00 1.84 0.01 0.00 0.01 0.00 0.00 55.36 57.22 1f6u s GLN 2 Cb 0.00 -1.83 0.54 0.00 -1.01 0.00 0.00 33.01 30.70 1f6u s GLN 2 CO 0.00 -1.79 1.93 1.57 0.01 0.00 0.00 175.29 177.01 1f6u h LYS 3 N -0.09 0.82 0.00 2.91 2.10 -2.08 -0.35 116.57 119.87 1f6u h LYS 3 Ca -0.48 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1f6u h LYS 3 Cb 1.31 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1f6u h LYS 3 CO 0.50 0.63 0.06 0.78 -2.00 0.00 0.00 179.45 179.42 1f6u h GLY 4 N 0.91 0.00 1.05 0.07 0.00 -2.03 -0.60 103.07 102.47 1f6u h GLY 4 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.59 1f6u h GLY 4 CO -0.03 0.00 0.49 3.43 0.00 0.00 0.00 176.54 180.43 1f6u h ASN 5 N 0.00 0.71 0.03 0.19 4.21 -1.40 0.27 115.58 119.59 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1f6u h ASN 5 Cb 0.11 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1f6u h ASN 5 CO 0.00 0.46 0.00 0.33 -1.29 0.00 0.00 177.43 176.93 1f6u n PHE 6 N -4.48 0.52 0.14 1.19 7.35 -0.23 -1.38 117.46 120.57 1f6u n PHE 6 Ca 0.11 0.27 0.07 0.00 -0.76 0.00 0.00 57.45 57.14 1f6u n PHE 6 Cb 0.20 -0.93 0.38 0.00 0.35 0.00 0.00 39.48 39.48 1f6u n PHE 6 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1f6u n ARG 7 N -2.04 0.09 0.19 -4.13 0.63 0.96 -1.30 116.66 111.06 1f6u n ARG 7 Ca -0.01 0.56 0.12 0.00 -0.92 0.00 0.00 57.85 57.61 1f6u n ARG 7 Cb 0.03 -1.79 0.66 0.00 0.45 0.00 0.00 32.46 31.82 1f6u n ARG 7 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1f6u h ASN 8 N 0.00 0.00 -0.31 6.15 -1.24 -1.42 -0.80 115.58 117.96 1f6u h ASN 8 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.10 1f6u h ASN 8 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1f6u h ASN 8 CO 0.00 0.00 0.28 -0.61 -1.29 0.00 0.00 177.43 175.81 1f6u h GLN 9 N 0.00 0.00 -0.13 6.67 -0.00 -1.38 0.20 115.11 120.47 1f6u h GLN 9 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1f6u h GLN 9 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 1f6u h GLN 9 CO 0.00 0.00 0.24 -0.09 0.00 0.00 0.00 178.83 178.98 1f6u h ARG 10 N 0.00 0.00 -0.65 1.69 2.43 -1.40 -0.53 114.38 115.92 1f6u h ARG 10 Ca 0.15 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.94 1f6u h ARG 10 Cb 0.70 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.83 1f6u h ARG 10 CO -0.00 0.00 -1.00 1.63 -1.51 0.00 0.00 179.97 179.09 1f6u n LYS 11 N -3.40 2.46 -0.27 0.20 4.76 0.69 -5.06 118.16 117.55 1f6u n LYS 11 Ca 0.01 -3.78 0.00 0.00 -2.87 0.00 0.00 58.31 51.66 1f6u n LYS 11 Cb 0.34 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 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 -0.59 -1.41 -2.82 -0.18 -1.04 -0.21 -4.98 114.28 103.06 1f6u n THR 12 Ca 0.22 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1f6u n THR 12 Cb 0.86 -1.41 0.05 0.00 -1.82 0.00 0.00 70.33 68.01 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 0.22 0.00 -3.93 12.58 3.14 -1.26 -4.29 118.33 124.79 1f6u n VAL 13 Ca 0.00 -0.98 -0.30 0.00 -2.96 0.00 0.00 64.34 60.10 1f6u n VAL 13 Cb 0.00 -0.87 -0.15 0.00 -1.06 0.00 0.00 33.84 31.75 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 -3.57 1.54 -0.22 1.45 2.20 -1.26 -0.85 119.74 119.03 1f6u s LYS 14 Ca 0.34 -1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 54.60 1f6u s LYS 14 Cb -0.02 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.68 1f6u s LYS 14 CO 0.22 -0.65 1.57 0.00 -0.36 0.00 0.00 175.35 176.13 1f6u n PHE 16 N 8.23 0.21 0.00 0.00 -1.74 -1.26 0.20 117.46 123.10 1f6u n PHE 16 Ca 0.18 -0.08 -0.03 0.00 -0.56 0.00 0.00 57.45 56.95 1f6u n PHE 16 Cb 0.45 -0.08 -0.01 0.00 1.52 0.00 0.00 39.48 41.36 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 -0.06 1.21 -0.03 5.98 5.15 -1.26 -4.79 115.26 121.46 1f6u n ASN 17 Ca 0.04 0.18 -0.07 0.00 -0.60 0.00 0.00 54.58 54.12 1f6u n ASN 17 Cb 0.23 -0.41 -0.13 0.00 -0.53 0.00 0.00 39.78 38.93 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 1.56 2.97 3.11 0.00 0.00 0.13 -5.04 105.19 107.93 1f6u n GLY 19 Ca -0.19 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.98 -4.46 1.61 3.00 -1.26 -3.96 118.16 112.11 1f6u n LYS 20 Ca 0.00 -0.28 -0.24 0.00 -0.00 0.00 0.00 58.31 57.79 1f6u n LYS 20 Cb 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 35.03 33.56 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1f6u s GLU 21 N -2.80 1.65 0.00 1.64 -1.05 -1.26 -0.30 118.70 116.57 1f6u s GLU 21 Ca 0.43 -1.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 1f6u s GLU 21 Cb -0.01 -1.74 0.00 0.00 -0.44 0.00 0.00 34.13 31.93 1f6u s GLU 21 CO 0.60 0.33 0.00 0.41 0.95 0.00 0.00 175.26 177.55 1f6u n GLY 22 N -0.52 1.69 3.30 -3.83 0.00 -0.03 -4.80 105.19 100.99 1f6u n GLY 22 Ca -0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.78 1.33 0.24 1.61 -3.43 -1.26 -4.17 115.29 107.83 1f6u s HIS 23 Ca 0.00 -1.44 0.11 0.00 -0.80 0.00 0.00 55.06 52.93 1f6u s HIS 23 Cb 0.00 -0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 30.59 1f6u s HIS 23 CO 0.00 -0.82 -0.19 0.96 -2.00 0.00 0.00 174.74 172.69 1f6u s ILE 24 N -3.73 2.22 0.31 -5.38 -4.36 -1.26 -2.11 121.20 106.89 1f6u s ILE 24 Ca 0.37 -2.29 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 1f6u s ILE 24 Cb 0.04 -2.18 0.30 0.00 1.25 0.00 0.00 42.46 41.86 1f6u s ILE 24 CO 0.19 -0.42 1.80 0.00 0.24 0.00 0.00 174.94 176.75 1f6u h ALA 25 N 2.49 1.66 -1.59 2.27 0.00 -1.89 0.26 119.26 122.47 1f6u h ALA 25 Ca -0.40 0.06 0.46 0.00 0.00 0.00 0.00 54.91 55.02 1f6u h ALA 25 Cb 1.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1f6u h ALA 25 CO 0.59 0.01 1.33 1.57 0.00 0.00 0.00 179.25 182.75 1f6u h LYS 26 N 0.81 0.00 -0.76 0.00 2.10 -2.00 -0.43 116.57 116.30 1f6u h LYS 26 Ca 0.54 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.86 1f6u h LYS 26 Cb 0.78 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.85 1f6u h LYS 26 CO -0.33 0.00 -0.76 0.27 -2.00 0.00 0.00 179.45 176.64 1f6u n ASN 27 N -3.66 -0.87 -4.78 7.07 2.04 0.84 -5.13 115.26 110.78 1f6u n ASN 27 Ca 0.36 -3.22 -0.37 0.00 -0.44 0.00 0.00 54.58 50.91 1f6u n ASN 27 Cb 1.81 0.73 -0.02 0.00 -2.53 0.00 0.00 39.78 39.77 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 -0.27 3.13 -2.03 0.00 1.85 -1.26 -4.90 116.66 113.18 1f6u n ARG 29 Ca 0.06 -1.85 -0.43 0.00 -1.00 0.00 0.00 57.85 54.63 1f6u n ARG 29 Cb 0.49 -1.86 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.95 3.12 -0.13 2.89 0.00 -1.26 -4.85 121.76 119.59 1f6u s ALA 30 Ca 0.32 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1f6u s ALA 30 Cb 0.23 -3.92 -0.19 0.00 0.00 0.00 0.00 23.12 19.25 1f6u s ALA 30 CO 0.11 -2.20 2.81 -0.35 0.00 0.00 0.00 175.76 176.13 1f6u n PRO 31 N 7.97 1.63 -4.12 0.00 -0.04 -1.26 -4.83 135.00 134.34 1f6u n PRO 31 Ca 0.21 -0.86 -0.28 0.00 -0.04 0.00 0.00 63.50 62.53 1f6u n PRO 31 Cb 0.46 -1.95 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1f6u n PRO 31 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1f6u s ARG 32 N 1.64 2.64 -0.18 0.54 1.70 -1.26 -5.05 118.95 118.99 1f6u s ARG 32 Ca 0.50 -0.89 -0.15 0.00 -0.47 0.00 0.00 55.73 54.73 1f6u s ARG 32 Cb 0.23 -2.55 -0.06 0.00 -0.57 0.00 0.00 34.95 32.00 1f6u s ARG 32 CO -0.00 0.51 -0.26 1.17 -1.08 0.00 0.00 175.30 175.63 1f6u n LYS 33 N 0.16 0.51 -3.39 3.89 4.81 -1.26 -5.02 118.16 117.86 1f6u n LYS 33 Ca -0.10 0.34 0.02 0.00 -0.87 0.00 0.00 58.31 57.70 1f6u n LYS 33 Cb 0.53 -1.54 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 1f6u n LYS 33 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1f6u s LYS 34 N -2.62 0.36 0.07 1.64 -2.85 -1.26 -5.13 119.74 109.95 1f6u s LYS 34 Ca -0.25 0.85 -0.25 0.00 -1.00 0.00 0.00 55.97 55.32 1f6u s LYS 34 Cb 0.04 0.51 0.06 0.00 -2.06 0.00 0.00 37.83 36.38 1f6u s LYS 34 CO 0.37 -0.18 0.60 0.20 0.10 0.00 0.00 175.35 176.44 1f6u s GLY 35 N 2.64 -0.55 -0.46 0.59 0.00 -1.15 -1.51 107.32 106.87 1f6u s GLY 35 Ca -0.01 0.75 -0.28 0.00 0.00 0.00 0.00 44.72 45.18 1f6u s GLY 35 CO -0.17 0.42 1.50 0.00 0.00 0.00 0.00 173.10 174.85 1f6u n TRP 37 N 9.55 0.51 -0.11 0.00 2.14 -1.26 -0.38 117.44 127.90 1f6u n TRP 37 Ca 0.16 -0.23 -0.18 0.00 2.07 0.00 0.00 57.50 59.33 1f6u n TRP 37 Cb 0.48 -0.05 -0.13 0.00 -0.81 0.00 0.00 31.31 30.80 1f6u n TRP 37 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1f6u n LYS 38 N 0.39 0.66 -0.08 -2.67 4.81 -1.26 -4.70 118.16 115.32 1f6u n LYS 38 Ca 0.11 0.15 -0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1f6u n LYS 38 Cb 0.34 -1.54 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 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 2.52 1.91 3.21 0.00 0.00 0.49 -5.11 105.19 108.21 1f6u n GLY 40 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 2.77 0.66 1.61 1.02 -1.04 -4.92 119.74 119.59 1f6u s LYS 41 Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.82 1f6u s LYS 41 Cb 0.00 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1f6u s LYS 41 CO 0.00 -0.45 1.09 -1.83 -0.92 0.00 0.00 175.35 173.24 1f6u s GLU 42 N 1.32 2.88 0.00 1.68 1.03 -1.26 -0.35 118.70 124.00 1f6u s GLU 42 Ca -0.01 1.29 0.00 0.00 0.03 0.00 0.00 54.97 56.28 1f6u s GLU 42 Cb -0.17 -1.97 0.00 0.00 -0.80 0.00 0.00 34.13 31.19 1f6u s GLU 42 CO -0.03 -1.18 0.00 0.41 -1.33 0.00 0.00 175.26 173.13 1f6u n GLY 43 N -0.83 1.66 2.15 -3.83 0.00 -0.57 -4.80 105.19 98.97 1f6u n GLY 43 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.01 -4.42 1.61 1.44 -1.25 -4.87 115.22 107.72 1f6u n HIS 44 Ca 0.00 -1.71 -0.20 0.00 -2.01 0.00 0.00 57.72 53.80 1f6u n HIS 44 Cb 0.00 0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.03 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 -2.98 1.60 0.17 -1.40 -2.07 -1.26 0.20 119.66 113.91 1f6u s GLN 45 Ca 0.15 -1.88 -0.15 0.00 -1.82 0.00 0.00 55.36 51.66 1f6u s GLN 45 Cb 0.01 -0.70 0.12 0.00 -1.09 0.00 0.00 33.01 31.34 1f6u s GLN 45 CO 0.11 -0.22 1.72 1.98 -1.32 0.00 0.00 175.29 177.55 1f6u h MET 46 N 2.18 0.19 0.00 9.60 1.85 -1.91 0.53 114.93 127.37 1f6u h MET 46 Ca -0.40 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.68 1f6u h MET 46 Cb 1.25 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.23 1f6u h MET 46 CO 0.67 0.12 0.03 -0.22 -0.40 0.00 0.00 176.91 177.11 1f6u h LYS 47 N 0.19 0.00 0.00 0.39 3.64 -2.00 0.30 116.57 119.10 1f6u h LYS 47 Ca 0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1f6u h LYS 47 Cb 0.25 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 1f6u h LYS 47 CO -0.27 0.00 -0.55 -3.47 -2.27 0.00 0.00 179.45 172.89 1f6u n ASP 48 N -2.40 1.61 -4.79 4.20 -0.08 0.15 -5.06 116.55 110.18 1f6u n ASP 48 Ca -0.02 -3.49 -0.34 0.00 -1.51 0.00 0.00 54.79 49.43 1f6u n ASP 48 Cb 0.07 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.04 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f6u h THR 50 N 1.33 0.62 -2.10 0.00 1.35 -1.88 -3.36 112.91 108.88 1f6u h THR 50 Ca -0.49 -2.13 -0.69 0.00 -0.55 0.00 0.00 66.41 62.54 1f6u h THR 50 Cb 1.24 2.15 -0.34 0.00 -1.73 0.00 0.00 68.15 69.46 1f6u h THR 50 CO 0.58 0.35 0.20 1.21 -0.25 0.00 0.00 175.52 177.62 1f6u n GLU 51 N -2.97 3.93 -3.20 4.72 2.13 -1.26 -4.83 120.64 119.16 1f6u n GLU 51 Ca -0.08 -4.51 -0.45 0.00 0.66 0.00 0.00 57.16 52.79 1f6u n GLU 51 Cb 0.85 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1f6u n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1f6u n ARG 52 N -0.28 3.54 -4.18 5.31 0.63 -1.26 -4.68 116.66 115.74 1f6u n ARG 52 Ca 0.42 -4.28 -0.29 0.00 -0.92 0.00 0.00 57.85 52.78 1f6u n ARG 52 Cb 0.36 -2.69 -0.09 0.00 0.45 0.00 0.00 32.46 30.49 1f6u n ARG 52 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1f6u n GLN 53 N 3.46 -0.93 -4.09 -0.14 0.00 -1.26 -4.90 117.38 109.52 1f6u n GLN 53 Ca 0.28 0.09 -0.32 0.00 0.00 0.00 0.00 57.00 57.04 1f6u n GLN 53 Cb 0.40 -3.37 -0.16 0.00 0.00 0.00 0.00 30.24 27.10 1f6u n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f6u s ALA 54 N -4.17 2.23 -2.72 2.61 0.00 -1.26 -5.26 121.76 113.19 1f6u s ALA 54 Ca 0.07 -1.18 0.26 0.00 0.00 0.00 0.00 51.96 51.11 1f6u s ALA 54 Cb -0.04 -1.18 0.67 0.00 0.00 0.00 0.00 23.12 22.58 1f6u s ALA 54 CO 0.92 -0.41 1.53 -1.71 0.00 0.00 0.00 175.76 176.09