#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 -0.36 2.12 -0.06 -1.26 -4.80 117.38 113.02 1f6u n GLN 2 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1f6u n GLN 2 Cb 0.00 -1.16 0.13 0.00 -4.06 0.00 0.00 30.24 25.15 1f6u n GLN 2 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1f6u h LYS 3 N 1.72 1.18 -0.06 3.69 3.64 -2.08 0.48 116.57 125.15 1f6u h LYS 3 Ca -0.36 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1f6u h LYS 3 Cb 1.40 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1f6u h LYS 3 CO 0.58 0.78 0.07 0.78 -2.27 0.00 0.00 179.45 179.40 1f6u h GLY 4 N 1.22 0.00 1.16 5.01 0.00 -2.03 -0.13 103.07 108.30 1f6u h GLY 4 Ca 0.38 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.77 1f6u h GLY 4 CO -0.12 0.00 0.42 -0.57 0.00 0.00 0.00 176.54 176.27 1f6u h ASN 5 N 0.00 0.57 0.00 0.19 -1.24 -1.21 0.25 115.58 114.15 1f6u h ASN 5 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1f6u h ASN 5 Cb 0.18 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1f6u h ASN 5 CO -0.00 0.38 0.00 0.33 -1.29 0.00 0.00 177.43 176.85 1f6u n PHE 6 N -4.47 0.59 0.17 0.67 7.35 -0.06 -1.42 117.46 120.29 1f6u n PHE 6 Ca 0.09 0.31 0.11 0.00 -0.76 0.00 0.00 57.45 57.20 1f6u n PHE 6 Cb 0.22 -0.99 0.59 0.00 0.35 0.00 0.00 39.48 39.65 1f6u n PHE 6 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1f6u n ARG 7 N -2.11 0.14 0.14 -4.13 1.74 0.88 -0.82 116.66 112.51 1f6u n ARG 7 Ca -0.01 0.64 0.10 0.00 -0.77 0.00 0.00 57.85 57.80 1f6u n ARG 7 Cb 0.03 -1.98 0.50 0.00 -1.02 0.00 0.00 32.46 29.98 1f6u n ARG 7 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1f6u n ASN 8 N -2.27 0.49 0.09 0.55 6.94 -0.50 -1.46 115.26 119.10 1f6u n ASN 8 Ca -0.01 0.71 0.17 0.00 -0.02 0.00 0.00 54.58 55.43 1f6u n ASN 8 Cb 0.06 -0.78 0.70 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.02 -3.83 4.15 -1.08 0.23 115.11 114.56 1f6u h GLN 9 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1f6u h GLN 9 Cb 0.04 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1f6u h GLN 9 CO 0.00 0.00 0.18 0.00 -1.93 0.00 0.00 178.83 177.08 1f6u h ARG 10 N 0.00 0.00 -0.72 1.69 3.08 -1.51 0.18 114.38 117.10 1f6u h ARG 10 Ca 0.17 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.78 1f6u h ARG 10 Cb 0.70 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.34 1f6u h ARG 10 CO -0.00 0.00 -0.94 1.63 -1.07 0.00 0.00 179.97 179.59 1f6u n LYS 11 N -3.07 2.79 0.00 0.04 5.02 0.80 -5.08 118.16 118.66 1f6u n LYS 11 Ca -0.02 -3.91 0.00 0.00 -2.02 0.00 0.00 58.31 52.36 1f6u n LYS 11 Cb 0.25 -1.98 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 -0.61 0.00 -4.36 -0.18 -1.04 0.05 -5.05 114.28 103.09 1f6u n THR 12 Ca 0.29 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.13 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 -0.91 0.00 -4.01 12.58 3.14 -1.26 -3.81 118.33 124.05 1f6u n VAL 13 Ca 0.00 -1.40 -0.26 0.00 -2.96 0.00 0.00 64.34 59.73 1f6u n VAL 13 Cb 0.00 0.40 -0.17 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 -2.98 1.41 -0.39 1.45 2.20 -1.26 -0.90 119.74 119.28 1f6u s LYS 14 Ca 0.07 -0.23 -0.22 0.00 -0.36 0.00 0.00 55.97 55.23 1f6u s LYS 14 Cb 0.00 -1.45 0.01 0.00 -1.51 0.00 0.00 37.83 34.89 1f6u s LYS 14 CO 0.05 -0.21 0.71 0.00 -0.36 0.00 0.00 175.35 175.53 1f6u n PHE 16 N 6.33 0.10 -0.08 0.00 1.16 -1.26 0.39 117.46 124.10 1f6u n PHE 16 Ca 0.01 -0.05 -0.11 0.00 -1.87 0.00 0.00 57.45 55.43 1f6u n PHE 16 Cb 0.48 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.32 1f6u n PHE 16 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1f6u n ASN 17 N -0.34 1.79 -0.03 5.98 5.15 -1.26 -4.71 115.26 121.84 1f6u n ASN 17 Ca 0.09 0.30 -0.12 0.00 -0.60 0.00 0.00 54.58 54.25 1f6u n ASN 17 Cb 0.11 -0.69 -0.14 0.00 -0.53 0.00 0.00 39.78 38.54 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 1.70 2.75 3.06 0.00 0.00 0.16 -5.06 105.19 107.80 1f6u n GLY 19 Ca -0.23 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.74 -4.37 1.61 4.81 -1.25 -4.05 118.16 113.17 1f6u n LYS 20 Ca 0.00 -0.51 -0.20 0.00 -0.87 0.00 0.00 58.31 56.74 1f6u n LYS 20 Cb 0.00 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 33.50 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 -3.21 1.39 0.00 1.64 1.03 -1.26 -0.29 118.70 117.99 1f6u s GLU 21 Ca 0.39 -1.62 0.00 0.00 0.03 0.00 0.00 54.97 53.77 1f6u s GLU 21 Cb -0.05 -1.25 0.00 0.00 -0.80 0.00 0.00 34.13 32.03 1f6u s GLU 21 CO 0.43 0.22 0.00 0.41 -1.33 0.00 0.00 175.26 174.98 1f6u n GLY 22 N -0.40 1.59 3.21 -3.83 0.00 -0.07 -4.82 105.19 100.85 1f6u n GLY 22 Ca -0.08 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.27 1.18 0.30 1.61 -3.43 -1.26 -4.23 115.29 108.20 1f6u s HIS 23 Ca 0.00 -1.39 0.09 0.00 -0.80 0.00 0.00 55.06 52.96 1f6u s HIS 23 Cb 0.00 -0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 30.54 1f6u s HIS 23 CO 0.00 -0.65 0.04 0.96 -2.00 0.00 0.00 174.74 173.09 1f6u s ILE 24 N -4.13 3.19 0.38 -5.38 -4.36 -1.26 -2.63 121.20 107.01 1f6u s ILE 24 Ca 0.39 -1.86 0.11 0.00 -0.26 0.00 0.00 60.65 59.02 1f6u s ILE 24 Cb 0.07 -2.87 0.33 0.00 1.25 0.00 0.00 42.46 41.23 1f6u s ILE 24 CO 0.13 -0.29 1.90 0.00 0.24 0.00 0.00 174.94 176.91 1f6u h ALA 25 N 1.78 1.91 -1.53 2.27 0.00 -1.91 0.13 119.26 121.90 1f6u h ALA 25 Ca -0.44 0.01 0.44 0.00 0.00 0.00 0.00 54.91 54.92 1f6u h ALA 25 Cb 1.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1f6u h ALA 25 CO 0.62 -0.12 1.24 -0.22 0.00 0.00 0.00 179.25 180.77 1f6u h LYS 26 N 0.61 0.00 -0.83 0.00 3.64 -1.99 -0.82 116.57 117.17 1f6u h LYS 26 Ca 0.40 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.45 1f6u h LYS 26 Cb 0.70 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.25 1f6u h LYS 26 CO -0.16 0.00 -0.80 0.27 -2.27 0.00 0.00 179.45 176.49 1f6u n ASN 27 N -3.77 -0.61 -4.78 4.20 2.04 0.38 -5.12 115.26 107.59 1f6u n ASN 27 Ca 0.34 -3.11 -0.36 0.00 -0.44 0.00 0.00 54.58 51.01 1f6u n ASN 27 Cb 1.71 0.54 -0.03 0.00 -2.53 0.00 0.00 39.78 39.47 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 -0.58 2.45 -2.05 0.00 3.00 -1.26 -5.05 116.66 113.17 1f6u n ARG 29 Ca 0.08 -3.64 -0.42 0.00 -0.00 0.00 0.00 57.85 53.87 1f6u n ARG 29 Cb 0.50 -1.79 -0.03 0.00 0.00 0.00 0.00 32.46 31.15 1f6u n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1f6u s ALA 30 N -3.22 3.63 -0.05 5.13 0.00 -1.26 -4.85 121.76 121.14 1f6u s ALA 30 Ca 0.42 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.61 1f6u s ALA 30 Cb 0.38 -3.55 -0.20 0.00 0.00 0.00 0.00 23.12 19.76 1f6u s ALA 30 CO -0.02 -0.70 2.83 -0.35 0.00 0.00 0.00 175.76 177.52 1f6u n PRO 31 N 2.75 1.55 -4.59 0.00 -0.04 -1.26 -4.80 135.00 128.62 1f6u n PRO 31 Ca 0.08 -0.79 -0.26 0.00 -0.04 0.00 0.00 63.50 62.48 1f6u n PRO 31 Cb 0.41 -1.90 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1f6u n PRO 31 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1f6u s ARG 32 N 1.56 1.41 0.00 0.54 6.06 -1.26 -5.08 118.95 122.18 1f6u s ARG 32 Ca 0.50 -1.06 0.00 0.00 -2.50 0.00 0.00 55.73 52.67 1f6u s ARG 32 Cb 0.24 -1.61 0.00 0.00 0.06 0.00 0.00 34.95 33.63 1f6u s ARG 32 CO -0.00 0.40 0.00 1.63 -2.50 0.00 0.00 175.30 174.83 1f6u n LYS 33 N 1.57 0.00 -3.53 5.12 5.02 -1.26 -5.01 118.16 120.07 1f6u n LYS 33 Ca -0.18 0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 1f6u n LYS 33 Cb 0.53 -0.47 -0.09 0.00 -0.02 0.00 0.00 35.03 34.97 1f6u n LYS 33 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f6u s LYS 34 N -0.60 0.31 0.01 1.97 1.02 -1.26 -5.14 119.74 116.06 1f6u s LYS 34 Ca 0.00 0.79 -0.27 0.00 0.02 0.00 0.00 55.97 56.51 1f6u s LYS 34 Cb 0.00 -0.06 0.07 0.00 -0.52 0.00 0.00 37.83 37.32 1f6u s LYS 34 CO 0.00 -0.42 0.62 0.20 -0.92 0.00 0.00 175.35 174.83 1f6u s GLY 35 N 2.56 -0.55 -0.51 -3.33 0.00 -1.11 -1.53 107.32 102.86 1f6u s GLY 35 Ca 0.05 0.99 -0.28 0.00 0.00 0.00 0.00 44.72 45.48 1f6u s GLY 35 CO -0.13 0.65 1.67 0.00 0.00 0.00 0.00 173.10 175.29 1f6u n TRP 37 N 10.84 0.77 -0.09 0.00 -0.00 -1.26 -0.79 117.44 126.90 1f6u n TRP 37 Ca 0.18 -0.30 -0.10 0.00 -0.00 0.00 0.00 57.50 57.29 1f6u n TRP 37 Cb 0.49 -0.17 -0.12 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 0.39 1.08 -0.06 -2.67 0.00 -1.26 -4.72 118.16 110.92 1f6u n LYS 38 Ca 0.13 0.04 -0.11 0.00 0.00 0.00 0.00 58.31 58.36 1f6u n LYS 38 Cb 0.53 -1.41 -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 2.58 2.00 3.04 0.00 0.00 0.03 -5.12 105.19 107.72 1f6u n GLY 40 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 2.39 0.81 1.61 1.02 -0.99 -4.96 119.74 119.37 1f6u s LYS 41 Ca 0.00 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 1f6u s LYS 41 Cb 0.00 -2.41 0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1f6u s LYS 41 CO 0.00 -0.33 1.10 -1.83 -0.92 0.00 0.00 175.35 173.37 1f6u s GLU 42 N 1.37 2.00 0.00 1.68 -1.05 -1.26 0.04 118.70 121.48 1f6u s GLU 42 Ca 0.02 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.48 1f6u s GLU 42 Cb -0.15 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 1f6u s GLU 42 CO -0.10 -1.68 0.00 0.41 0.95 0.00 0.00 175.26 174.84 1f6u n GLY 43 N -2.02 3.13 1.45 -3.83 0.00 -0.58 -4.76 105.19 98.58 1f6u n GLY 43 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.04 -0.24 -4.33 1.61 1.44 -1.26 -4.89 115.22 106.51 1f6u n HIS 44 Ca 0.00 -1.23 -0.17 0.00 -2.01 0.00 0.00 57.72 54.31 1f6u n HIS 44 Cb 0.00 0.09 -0.10 0.00 0.12 0.00 0.00 29.99 30.10 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 -2.63 1.41 0.25 -1.40 -2.07 -1.26 0.21 119.66 114.17 1f6u s GLN 45 Ca 0.15 -1.75 -0.04 0.00 -1.82 0.00 0.00 55.36 51.90 1f6u s GLN 45 Cb 0.01 -0.41 0.43 0.00 -1.09 0.00 0.00 33.01 31.95 1f6u s GLN 45 CO 0.11 -0.23 1.78 1.98 -1.32 0.00 0.00 175.29 177.61 1f6u h MET 46 N 2.38 0.64 -0.26 9.60 1.85 -1.90 0.55 114.93 127.78 1f6u h MET 46 Ca -0.39 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 58.74 1f6u h MET 46 Cb 1.24 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 1f6u h MET 46 CO 0.63 0.42 0.33 -0.22 -0.40 0.00 0.00 176.91 177.67 1f6u h LYS 47 N 0.66 0.00 -0.18 0.39 3.64 -2.00 0.24 116.57 119.31 1f6u h LYS 47 Ca 0.41 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.62 1f6u h LYS 47 Cb 0.48 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.10 1f6u h LYS 47 CO -0.30 0.00 -0.73 -0.25 -2.27 0.00 0.00 179.45 175.89 1f6u n ASP 48 N -3.63 2.18 -4.63 4.20 8.00 0.15 -5.08 116.55 117.75 1f6u n ASP 48 Ca 0.04 -3.31 -0.37 0.00 0.71 0.00 0.00 54.79 51.86 1f6u n ASP 48 Cb 0.46 -0.44 0.07 0.00 -0.02 0.00 0.00 41.12 41.20 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f6u n THR 50 N -2.13 1.31 -2.71 0.00 -2.24 -1.26 -4.82 114.28 102.42 1f6u n THR 50 Ca 0.14 -1.91 -0.07 0.00 -2.27 0.00 0.00 64.05 59.94 1f6u n THR 50 Cb 0.48 0.11 0.08 0.00 -2.10 0.00 0.00 70.33 68.90 1f6u n THR 50 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1f6u n GLU 51 N -0.74 0.57 -2.91 -0.78 0.00 -1.26 -5.15 120.64 110.38 1f6u n GLU 51 Ca 0.12 -1.35 -0.39 0.00 0.00 0.00 0.00 57.16 55.55 1f6u n GLU 51 Cb 0.75 -0.81 -0.06 0.00 0.00 0.00 0.00 31.44 31.32 1f6u n GLU 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1f6u s ARG 52 N 0.32 4.60 0.00 5.31 1.70 -1.26 -4.82 118.95 124.79 1f6u s ARG 52 Ca 0.26 1.23 0.00 0.00 -0.47 0.00 0.00 55.73 56.75 1f6u s ARG 52 Cb 0.25 -3.13 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 1f6u s ARG 52 CO -0.15 0.48 0.00 0.94 -1.08 0.00 0.00 175.30 175.50 1f6u n GLN 53 N 1.27 0.00 -1.92 3.89 7.27 -1.26 -5.06 117.38 121.57 1f6u n GLN 53 Ca -0.03 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.66 1f6u n GLN 53 Cb 0.49 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.10 1f6u n GLN 53 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1f6u n ALA 54 N 0.00 3.26 0.00 1.69 0.00 -1.26 -5.13 120.51 119.07 1f6u n ALA 54 Ca 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.99 1f6u n ALA 54 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 1f6u n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79