#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 1.61 -0.04 3.17 7.27 -1.26 -4.80 117.38 123.33 1f6u n GLN 2 Ca 0.00 0.51 0.10 0.00 0.07 0.00 0.00 57.00 57.69 1f6u n GLN 2 Cb 0.00 -2.63 0.50 0.00 2.41 0.00 0.00 30.24 30.52 1f6u n GLN 2 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1f6u h LYS 3 N 11.38 0.39 -0.00 3.69 -0.00 -2.09 0.26 116.57 130.20 1f6u h LYS 3 Ca -0.38 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1f6u h LYS 3 Cb 1.29 -0.09 -0.00 0.00 -0.00 0.00 0.00 32.23 33.43 1f6u h LYS 3 CO 0.98 0.26 0.02 0.78 -0.00 0.00 0.00 179.45 181.49 1f6u h GLY 4 N 0.40 0.00 1.24 0.07 0.00 -2.03 -0.63 103.07 102.11 1f6u h GLY 4 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1f6u h GLY 4 CO -0.06 0.00 0.40 3.43 0.00 0.00 0.00 176.54 180.31 1f6u h ASN 5 N 0.00 0.56 0.01 0.19 2.35 -0.83 0.21 115.58 118.08 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 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1f6u h ASN 5 CO -0.00 0.38 0.00 0.33 -1.65 0.00 0.00 177.43 176.49 1f6u n PHE 6 N -4.47 0.61 0.19 1.19 7.35 -0.24 -1.43 117.46 120.64 1f6u n PHE 6 Ca 0.08 0.32 0.12 0.00 -0.76 0.00 0.00 57.45 57.20 1f6u n PHE 6 Cb 0.18 -1.01 0.64 0.00 0.35 0.00 0.00 39.48 39.65 1f6u n PHE 6 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1f6u h ARG 7 N 0.00 0.00 0.00 -4.13 0.11 -0.73 -0.19 114.38 109.43 1f6u h ARG 7 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1f6u h ARG 7 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1f6u h ARG 7 CO 0.00 0.00 0.07 -0.97 0.10 0.00 0.00 179.97 179.17 1f6u h ASN 8 N 0.00 0.00 -0.38 0.08 -1.24 -1.45 -0.37 115.58 112.22 1f6u h ASN 8 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.12 1f6u h ASN 8 Cb 0.10 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 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 -0.17 6.67 -0.00 -1.23 0.23 115.11 120.60 1f6u h GLN 9 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 1f6u h GLN 9 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 1f6u h GLN 9 CO 0.00 0.00 0.21 -0.09 0.00 0.00 0.00 178.83 178.95 1f6u h ARG 10 N 0.00 0.00 -0.58 1.69 2.43 -1.31 -0.62 114.38 115.98 1f6u h ARG 10 Ca 0.18 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.95 1f6u h ARG 10 Cb 0.74 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.89 1f6u h ARG 10 CO -0.00 0.00 -0.92 0.36 -1.51 0.00 0.00 179.97 177.90 1f6u n LYS 11 N -3.73 2.76 -0.58 0.20 2.85 0.76 -5.05 118.16 115.37 1f6u n LYS 11 Ca 0.01 -3.84 0.00 0.00 -1.05 0.00 0.00 58.31 53.44 1f6u n LYS 11 Cb 0.32 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.75 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1f6u n THR 12 N -0.66 -3.02 -2.58 0.58 -1.04 -0.24 -5.02 114.28 102.31 1f6u n THR 12 Ca 0.29 0.44 -0.11 0.00 -2.04 0.00 0.00 64.05 62.62 1f6u n THR 12 Cb 0.90 -2.14 0.05 0.00 -1.82 0.00 0.00 70.33 67.32 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 0.07 0.00 -3.86 12.58 3.14 -1.25 -4.41 118.33 124.60 1f6u n VAL 13 Ca 0.00 -0.85 -0.26 0.00 -2.96 0.00 0.00 64.34 60.27 1f6u n VAL 13 Cb 0.00 -1.04 -0.17 0.00 -1.06 0.00 0.00 33.84 31.57 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 -3.67 1.21 -0.40 1.45 2.20 -1.26 -0.73 119.74 118.54 1f6u s LYS 14 Ca 0.33 -0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.46 1f6u s LYS 14 Cb -0.02 -1.50 0.02 0.00 -1.51 0.00 0.00 37.83 34.82 1f6u s LYS 14 CO 0.22 -0.32 1.05 0.00 -0.36 0.00 0.00 175.35 175.94 1f6u n PHE 16 N 7.22 0.17 -0.07 0.00 -1.74 -1.26 0.32 117.46 122.11 1f6u n PHE 16 Ca 0.10 -0.09 -0.12 0.00 -0.56 0.00 0.00 57.45 56.79 1f6u n PHE 16 Cb 0.48 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.44 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 -0.13 1.59 -0.04 5.98 5.15 -1.26 -4.72 115.26 121.83 1f6u n ASN 17 Ca 0.06 0.26 -0.10 0.00 -0.60 0.00 0.00 54.58 54.20 1f6u n ASN 17 Cb 0.12 -0.61 -0.15 0.00 -0.53 0.00 0.00 39.78 38.62 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 1.64 2.86 3.10 0.00 0.00 0.15 -5.06 105.19 107.88 1f6u n GLY 19 Ca -0.22 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.18 -4.50 1.61 4.81 -1.25 -4.07 118.16 113.57 1f6u n LYS 20 Ca 0.00 -0.34 -0.24 0.00 -0.87 0.00 0.00 58.31 56.86 1f6u n LYS 20 Cb 0.00 -1.39 -0.11 0.00 0.02 0.00 0.00 35.03 33.55 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 1.71 0.00 1.64 -1.05 -1.26 -0.27 118.70 116.55 1f6u s GLU 21 Ca 0.42 -1.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.34 1f6u s GLU 21 Cb -0.03 -1.37 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 1f6u s GLU 21 CO 0.55 0.03 0.00 0.41 0.95 0.00 0.00 175.26 177.19 1f6u n GLY 22 N -0.72 2.48 3.27 -3.83 0.00 0.09 -4.87 105.19 101.60 1f6u n GLY 22 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.49 0.42 0.28 1.61 -3.43 -1.26 -4.22 115.29 106.20 1f6u s HIS 23 Ca 0.00 -0.81 0.08 0.00 -0.80 0.00 0.00 55.06 53.53 1f6u s HIS 23 Cb 0.00 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.98 1f6u s HIS 23 CO 0.00 -0.64 0.15 0.96 -2.00 0.00 0.00 174.74 173.22 1f6u s ILE 24 N -3.95 3.91 0.38 -5.38 -4.36 -1.26 -2.21 121.20 108.32 1f6u s ILE 24 Ca 0.15 -1.56 0.13 0.00 -0.26 0.00 0.00 60.65 59.10 1f6u s ILE 24 Cb 0.04 -3.18 0.35 0.00 1.25 0.00 0.00 42.46 40.92 1f6u s ILE 24 CO -0.03 -0.31 1.86 0.00 0.24 0.00 0.00 174.94 176.70 1f6u h ALA 25 N 1.57 1.99 -1.59 2.27 0.00 -1.90 0.20 119.26 121.78 1f6u h ALA 25 Ca -0.46 0.02 0.46 0.00 0.00 0.00 0.00 54.91 54.93 1f6u h ALA 25 Cb 1.25 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1f6u h ALA 25 CO 0.61 -0.25 1.27 -0.22 0.00 0.00 0.00 179.25 180.66 1f6u h LYS 26 N 0.56 0.00 -0.84 0.00 3.64 -1.99 -0.73 116.57 117.21 1f6u h LYS 26 Ca 0.45 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.50 1f6u h LYS 26 Cb 0.91 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.45 1f6u h LYS 26 CO -0.20 0.00 -0.80 0.27 -2.27 0.00 0.00 179.45 176.45 1f6u n ASN 27 N -3.79 -0.61 -4.78 4.20 2.04 0.63 -5.12 115.26 107.83 1f6u n ASN 27 Ca 0.36 -3.12 -0.35 0.00 -0.44 0.00 0.00 54.58 51.02 1f6u n ASN 27 Cb 1.75 0.54 -0.02 0.00 -2.53 0.00 0.00 39.78 39.53 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 -0.92 2.26 -1.08 0.00 1.85 -1.26 -5.05 116.66 112.46 1f6u n ARG 29 Ca 0.09 -3.45 -0.35 0.00 -1.00 0.00 0.00 57.85 53.14 1f6u n ARG 29 Cb 0.51 -1.93 0.02 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 n ALA 30 N -1.02 -3.92 1.50 2.89 0.00 -1.26 -4.75 120.51 113.96 1f6u n ALA 30 Ca 0.36 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1f6u n ALA 30 Cb 0.93 -1.22 0.67 0.00 0.00 0.00 0.00 19.45 19.83 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 1.79 0.75 -1.23 0.00 -0.04 -1.26 -4.96 135.00 130.05 1f6u n PRO 31 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1f6u n PRO 31 Cb 0.48 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.97 -2.67 0.00 0.54 1.74 -1.26 -5.08 116.66 108.96 1f6u n ARG 32 Ca 0.17 2.14 0.00 0.00 -0.77 0.00 0.00 57.85 59.39 1f6u n ARG 32 Cb 0.08 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1f6u n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1f6u n LYS 33 N 0.88 0.00 -1.36 5.56 3.00 -1.26 -5.11 118.16 119.87 1f6u n LYS 33 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 58.31 57.73 1f6u n LYS 33 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1f6u n LYS 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1f6u n LYS 34 N 0.00 0.00 -3.60 1.64 5.02 -1.26 -4.82 118.16 115.14 1f6u n LYS 34 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1f6u n LYS 34 Cb 0.00 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1f6u n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1f6u s GLY 35 N 4.13 -0.38 -0.44 0.72 0.00 -1.23 -1.51 107.32 108.60 1f6u s GLY 35 Ca 1.03 0.61 -0.28 0.00 0.00 0.00 0.00 44.72 46.07 1f6u s GLY 35 CO 0.67 0.19 1.52 0.00 0.00 0.00 0.00 173.10 175.48 1f6u n TRP 37 N 9.54 1.01 -0.05 0.00 -0.00 -1.26 -0.21 117.44 126.47 1f6u n TRP 37 Ca 0.17 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.50 57.25 1f6u n TRP 37 Cb 0.48 -0.27 -0.07 0.00 -0.00 0.00 0.00 31.31 31.46 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 0.38 1.60 -0.03 -2.67 0.00 -1.26 -4.79 118.16 111.39 1f6u n LYS 38 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 58.31 58.44 1f6u n LYS 38 Cb 0.69 -1.24 -0.02 0.00 0.00 0.00 0.00 35.03 34.45 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 3.17 3.74 3.67 0.00 0.00 0.70 -5.08 105.19 111.39 1f6u n GLY 40 Ca -0.10 -1.00 -0.53 0.00 0.00 0.00 0.00 46.02 44.39 1f6u n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6u n LYS 41 N 0.00 1.60 -2.07 1.61 4.76 -1.25 -4.36 118.16 118.45 1f6u n LYS 41 Ca 0.00 0.57 -0.28 0.00 -2.87 0.00 0.00 58.31 55.73 1f6u n LYS 41 Cb 0.00 -2.38 0.14 0.00 -1.84 0.00 0.00 35.03 30.94 1f6u n LYS 41 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1f6u s GLU 42 N 4.10 1.30 0.00 1.97 1.03 -1.26 -0.15 118.70 125.69 1f6u s GLU 42 Ca 0.97 -0.39 0.00 0.00 0.03 0.00 0.00 54.97 55.58 1f6u s GLU 42 Cb -0.88 -1.99 0.00 0.00 -0.80 0.00 0.00 34.13 30.46 1f6u s GLU 42 CO 0.58 -1.92 0.00 0.41 -1.33 0.00 0.00 175.26 173.00 1f6u n GLY 43 N -3.40 2.51 3.23 -3.83 0.00 -0.57 -4.69 105.19 98.44 1f6u n GLY 43 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.66 -4.31 1.61 1.44 -1.26 -4.90 115.22 105.15 1f6u n HIS 44 Ca 0.00 -2.78 -0.16 0.00 -2.01 0.00 0.00 57.72 52.77 1f6u n HIS 44 Cb 0.00 0.25 -0.10 0.00 0.12 0.00 0.00 29.99 30.25 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 -3.39 1.30 0.16 -1.40 -2.07 -1.26 0.21 119.66 113.21 1f6u s GLN 45 Ca 0.37 -1.67 -0.17 0.00 -1.82 0.00 0.00 55.36 52.07 1f6u s GLN 45 Cb 0.02 -0.45 0.08 0.00 -1.09 0.00 0.00 33.01 31.56 1f6u s GLN 45 CO 0.26 -0.15 1.69 1.98 -1.32 0.00 0.00 175.29 177.74 1f6u h MET 46 N 2.50 0.04 0.00 9.60 1.85 -1.91 0.59 114.93 127.59 1f6u h MET 46 Ca -0.38 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.71 1f6u h MET 46 Cb 1.22 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1f6u h MET 46 CO 0.63 0.03 0.20 -0.22 -0.40 0.00 0.00 176.91 177.15 1f6u h LYS 47 N 0.04 0.00 -0.33 0.39 1.63 -2.01 0.41 116.57 116.70 1f6u h LYS 47 Ca 0.17 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.72 1f6u h LYS 47 Cb 0.26 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 31.61 1f6u h LYS 47 CO -0.34 0.00 -0.80 -0.25 -3.45 0.00 0.00 179.45 174.62 1f6u n ASP 48 N -2.66 2.70 -4.78 4.20 8.00 0.17 -5.07 116.55 119.11 1f6u n ASP 48 Ca -0.02 -3.25 -0.36 0.00 0.71 0.00 0.00 54.79 51.87 1f6u n ASP 48 Cb 0.24 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.51 1.16 -0.04 0.00 5.66 -1.26 -4.81 114.28 114.48 1f6u n THR 50 Ca 0.07 -1.59 -0.01 0.00 -3.05 0.00 0.00 64.05 59.47 1f6u n THR 50 Cb 0.50 0.11 -0.01 0.00 -1.55 0.00 0.00 70.33 69.39 1f6u n THR 50 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1f6u h GLU 51 N 0.25 -0.04 0.00 1.09 4.22 -1.93 -3.46 114.58 114.71 1f6u h GLU 51 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1f6u h GLU 51 Cb 1.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1f6u h GLU 51 CO 0.01 0.03 0.00 -2.13 -2.18 0.00 0.00 179.01 174.74 1f6u n ARG 52 N -4.80 0.00 -3.68 1.92 0.00 -1.26 -4.71 116.66 104.13 1f6u n ARG 52 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.74 1f6u n ARG 52 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.46 1f6u n ARG 52 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1f6u s GLN 53 N 0.00 1.30 0.35 -0.14 -2.07 -1.26 -5.12 119.66 112.73 1f6u s GLN 53 Ca 0.00 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 1f6u s GLN 53 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 1f6u s GLN 53 CO 0.00 -0.55 0.00 0.00 -1.32 0.00 0.00 175.29 173.42 1f6u n ALA 54 N -0.32 -2.13 -0.05 2.60 0.00 -1.26 -5.18 120.51 114.17 1f6u n ALA 54 Ca -0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1f6u n ALA 54 Cb 0.63 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1f6u n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77