#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 -1.58 -0.21 0.03 7.27 -1.26 -4.91 117.38 116.72 1f6u n GLN 2 Ca 0.00 0.53 -0.07 0.00 0.07 0.00 0.00 57.00 57.54 1f6u n GLN 2 Cb 0.00 -4.20 0.03 0.00 2.41 0.00 0.00 30.24 28.49 1f6u n GLN 2 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1f6u h LYS 3 N -0.70 0.81 0.00 3.69 1.57 -2.09 -0.24 116.57 119.61 1f6u h LYS 3 Ca -0.37 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1f6u h LYS 3 Cb 1.19 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1f6u h LYS 3 CO 0.27 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 1f6u n GLY 4 N -1.07 -0.80 0.33 3.86 0.00 -1.26 -1.48 105.19 104.76 1f6u n GLY 4 Ca 0.04 0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.35 1f6u n GLY 4 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1f6u h ASN 5 N 0.00 0.00 0.00 1.61 -0.73 -1.38 0.15 115.58 115.23 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1f6u h ASN 5 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1f6u h ASN 5 CO 0.00 0.00 0.04 0.33 -0.37 0.00 0.00 177.43 177.43 1f6u n PHE 6 N -3.68 0.62 0.25 0.67 7.35 -0.55 -1.50 117.46 120.61 1f6u n PHE 6 Ca -0.00 0.32 0.13 0.00 -0.76 0.00 0.00 57.45 57.15 1f6u n PHE 6 Cb 0.25 -0.99 0.72 0.00 0.35 0.00 0.00 39.48 39.81 1f6u n PHE 6 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1f6u h ARG 7 N 0.00 0.00 0.00 -4.13 2.43 -0.94 0.20 114.38 111.93 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 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1f6u h ARG 7 CO 0.00 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.73 1f6u n ASN 8 N -2.55 0.35 -0.04 -3.80 6.94 -0.56 -1.52 115.26 114.09 1f6u n ASN 8 Ca -0.02 0.66 0.18 0.00 -0.02 0.00 0.00 54.58 55.38 1f6u n ASN 8 Cb 0.22 -0.71 0.62 0.00 -2.36 0.00 0.00 39.78 37.56 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 0.14 0.00 -3.83 -0.00 -0.75 0.32 115.11 110.98 1f6u h GLN 9 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1f6u h GLN 9 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.46 1f6u h GLN 9 CO 0.00 0.09 0.20 -0.09 0.00 0.00 0.00 178.83 179.03 1f6u h ARG 10 N 0.14 0.00 -0.84 1.69 2.43 -1.52 0.71 114.38 116.99 1f6u h ARG 10 Ca 0.27 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 59.02 1f6u h ARG 10 Cb 0.88 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.02 1f6u h ARG 10 CO -0.04 0.00 -0.97 1.17 -1.51 0.00 0.00 179.97 178.62 1f6u n LYS 11 N -2.64 2.50 -0.44 0.20 4.81 0.11 -5.09 118.16 117.61 1f6u n LYS 11 Ca -0.02 -3.84 0.00 0.00 -0.87 0.00 0.00 58.31 53.58 1f6u n LYS 11 Cb 0.24 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1f6u n LYS 11 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1f6u n THR 12 N -0.51 -0.82 -4.29 3.15 -1.04 0.24 -5.05 114.28 105.96 1f6u n THR 12 Ca 0.24 0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 62.51 1f6u n THR 12 Cb 0.83 -0.68 -0.05 0.00 -1.82 0.00 0.00 70.33 68.61 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 -1.81 0.00 -4.33 12.58 3.14 -1.26 -4.09 118.33 122.55 1f6u n VAL 13 Ca 0.00 -1.64 -0.32 0.00 -2.96 0.00 0.00 64.34 59.42 1f6u n VAL 13 Cb 0.14 0.67 -0.16 0.00 -1.06 0.00 0.00 33.84 33.42 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 -3.01 2.89 -0.37 1.45 2.20 -1.26 0.14 119.74 121.78 1f6u s LYS 14 Ca 0.19 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.72 1f6u s LYS 14 Cb 0.01 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1f6u s LYS 14 CO 0.13 -0.13 1.64 0.00 -0.36 0.00 0.00 175.35 176.63 1f6u n PHE 16 N 9.73 0.00 0.00 0.00 7.35 -1.26 0.06 117.46 133.35 1f6u n PHE 16 Ca 0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1f6u n PHE 16 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 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 -0.67 0.00 0.25 -2.13 5.15 -1.26 -4.78 115.26 111.82 1f6u n ASN 17 Ca 0.04 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.11 1f6u n ASN 17 Cb 0.02 0.00 0.65 0.00 -0.53 0.00 0.00 39.78 39.92 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 -0.95 2.84 3.52 0.00 0.00 0.11 -5.02 105.19 105.69 1f6u n GLY 19 Ca -0.02 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1f6u n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6u n LYS 20 N 0.00 0.74 -3.00 1.61 4.76 -1.26 -3.34 118.16 117.67 1f6u n LYS 20 Ca 0.00 0.28 -0.22 0.00 -2.87 0.00 0.00 58.31 55.50 1f6u n LYS 20 Cb 0.00 -1.83 0.01 0.00 -1.84 0.00 0.00 35.03 31.37 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1f6u s GLU 21 N -2.15 3.02 0.00 1.97 1.03 -1.26 0.27 118.70 121.59 1f6u s GLU 21 Ca 0.69 -0.57 0.00 0.00 0.03 0.00 0.00 54.97 55.12 1f6u s GLU 21 Cb -0.48 -2.58 0.00 0.00 -0.80 0.00 0.00 34.13 30.27 1f6u s GLU 21 CO 0.54 -0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.60 1f6u n GLY 22 N -2.06 1.60 2.55 -3.83 0.00 0.12 -4.86 105.19 98.72 1f6u n GLY 22 Ca 0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1f6u n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1f6u n HIS 23 N 0.00 -1.14 -4.45 1.61 1.44 -1.26 -4.35 115.22 107.07 1f6u n HIS 23 Ca 0.00 -1.83 -0.24 0.00 -2.01 0.00 0.00 57.72 53.64 1f6u n HIS 23 Cb 0.00 0.40 -0.10 0.00 0.12 0.00 0.00 29.99 30.40 1f6u n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1f6u s ILE 24 N -2.76 2.40 0.36 0.61 -4.36 -1.26 -2.09 121.20 114.09 1f6u s ILE 24 Ca 0.23 -2.31 0.09 0.00 -0.26 0.00 0.00 60.65 58.40 1f6u s ILE 24 Cb -0.00 -2.24 0.32 0.00 1.25 0.00 0.00 42.46 41.79 1f6u s ILE 24 CO 0.16 -0.35 1.88 0.00 0.24 0.00 0.00 174.94 176.87 1f6u h ALA 25 N 2.50 1.82 -1.59 2.27 0.00 -1.88 0.13 119.26 122.52 1f6u h ALA 25 Ca -0.41 0.01 0.46 0.00 0.00 0.00 0.00 54.91 54.97 1f6u h ALA 25 Cb 1.25 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1f6u h ALA 25 CO 0.57 -0.05 1.29 -0.22 0.00 0.00 0.00 179.25 180.84 1f6u h LYS 26 N 0.70 0.00 -0.82 0.00 3.64 -1.99 -0.58 116.57 117.52 1f6u h LYS 26 Ca 0.43 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.48 1f6u h LYS 26 Cb 0.68 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.22 1f6u h LYS 26 CO -0.19 0.00 -0.79 0.27 -2.27 0.00 0.00 179.45 176.46 1f6u n ASN 27 N -3.75 -0.65 -4.78 4.20 2.04 0.39 -5.13 115.26 107.59 1f6u n ASN 27 Ca 0.36 -3.12 -0.35 0.00 -0.44 0.00 0.00 54.58 51.03 1f6u n ASN 27 Cb 1.77 0.56 -0.01 0.00 -2.53 0.00 0.00 39.78 39.57 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 -1.09 2.55 -1.38 0.00 0.63 -1.26 -5.05 116.66 111.07 1f6u n ARG 29 Ca 0.10 -3.64 -0.45 0.00 -0.92 0.00 0.00 57.85 52.95 1f6u n ARG 29 Cb 0.51 -1.98 -0.01 0.00 0.45 0.00 0.00 32.46 31.43 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 -0.94 -2.60 -0.72 5.13 0.00 -1.26 -4.69 120.51 115.43 1f6u n ALA 30 Ca 0.35 0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 1f6u n ALA 30 Cb 0.88 -1.60 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 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 1.06 1.44 -3.63 0.00 -0.04 -1.26 -4.67 135.00 127.91 1f6u n PRO 31 Ca 0.14 -0.69 -0.05 0.00 -0.04 0.00 0.00 63.50 62.86 1f6u n PRO 31 Cb 0.33 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 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 1.42 0.24 -0.04 0.54 3.00 -1.26 -5.07 118.95 117.78 1f6u s ARG 32 Ca 0.46 0.18 -0.15 0.00 0.00 0.00 0.00 55.73 56.22 1f6u s ARG 32 Cb 0.22 0.11 -0.08 0.00 0.00 0.00 0.00 34.95 35.20 1f6u s ARG 32 CO 0.00 -0.05 0.61 0.87 0.00 0.00 0.00 175.30 176.73 1f6u h LYS 33 N 2.99 -0.51 -4.13 3.54 1.79 -2.00 -3.44 116.57 114.80 1f6u h LYS 33 Ca -0.21 0.03 -0.54 0.00 -2.18 0.00 0.00 60.65 57.76 1f6u h LYS 33 Cb 1.18 0.12 -0.38 0.00 -1.58 0.00 0.00 32.23 31.57 1f6u h LYS 33 CO 0.20 -0.34 -0.79 0.15 -1.08 0.00 0.00 179.45 177.59 1f6u s LYS 34 N -3.27 1.39 -0.03 3.15 1.02 -1.26 -5.10 119.74 115.63 1f6u s LYS 34 Ca -0.08 -0.39 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 1f6u s LYS 34 Cb 0.01 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1f6u s LYS 34 CO 0.24 -0.38 0.30 0.20 -0.92 0.00 0.00 175.35 174.79 1f6u s GLY 35 N 1.69 -0.16 -0.53 -3.33 0.00 -1.07 -1.48 107.32 102.45 1f6u s GLY 35 Ca 0.02 0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.86 1f6u s GLY 35 CO -0.08 0.21 1.44 0.00 0.00 0.00 0.00 173.10 174.67 1f6u n TRP 37 N 9.56 0.54 -0.11 0.00 2.14 -1.26 -0.38 117.44 127.92 1f6u n TRP 37 Ca 0.14 -0.23 -0.14 0.00 2.07 0.00 0.00 57.50 59.33 1f6u n TRP 37 Cb 0.49 -0.08 -0.13 0.00 -0.81 0.00 0.00 31.31 30.78 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 0.35 0.70 -0.06 -2.67 3.00 -1.26 -4.71 118.16 113.50 1f6u n LYS 38 Ca 0.11 0.08 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 1f6u n LYS 38 Cb 0.37 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.85 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 2.57 1.99 3.18 0.00 0.00 0.49 -5.11 105.19 108.32 1f6u n GLY 40 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.31 3.09 0.65 1.61 1.02 -1.07 -4.94 119.74 119.79 1f6u s LYS 41 Ca 0.00 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.08 1f6u s LYS 41 Cb 0.00 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1f6u s LYS 41 CO 0.00 -0.13 1.05 -1.83 -0.92 0.00 0.00 175.35 173.52 1f6u s GLU 42 N 1.13 3.23 0.00 1.68 -1.05 -1.26 -0.26 118.70 122.16 1f6u s GLU 42 Ca 0.01 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 1f6u s GLU 42 Cb -0.14 -2.03 0.00 0.00 -0.44 0.00 0.00 34.13 31.52 1f6u s GLU 42 CO -0.07 -0.87 0.00 0.41 0.95 0.00 0.00 175.26 175.68 1f6u n GLY 43 N -1.97 2.34 2.47 -3.83 0.00 -0.55 -4.83 105.19 98.83 1f6u n GLY 43 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 -0.23 -4.48 1.61 1.44 -1.25 -4.89 115.22 107.09 1f6u n HIS 44 Ca 0.00 -2.04 -0.23 0.00 -2.01 0.00 0.00 57.72 53.44 1f6u n HIS 44 Cb 0.00 0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.12 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 -3.10 1.76 0.14 -1.40 -2.07 -1.26 0.20 119.66 113.93 1f6u s GLN 45 Ca 0.22 -2.02 -0.21 0.00 -1.82 0.00 0.00 55.36 51.54 1f6u s GLN 45 Cb 0.01 -0.79 -0.00 0.00 -1.09 0.00 0.00 33.01 31.14 1f6u s GLN 45 CO 0.16 -0.30 1.67 1.98 -1.32 0.00 0.00 175.29 177.48 1f6u h MET 46 N 1.98 -0.11 0.00 9.60 1.85 -1.90 0.55 114.93 126.90 1f6u h MET 46 Ca -0.39 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.71 1f6u h MET 46 Cb 1.26 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.31 1f6u h MET 46 CO 0.65 -0.07 0.00 1.63 -0.40 0.00 0.00 176.91 178.72 1f6u n LYS 47 N -5.28 0.06 -0.24 0.39 5.02 -1.26 0.03 118.16 116.88 1f6u n LYS 47 Ca -0.02 0.50 0.09 0.00 -2.02 0.00 0.00 58.31 56.86 1f6u n LYS 47 Cb 0.20 -1.66 0.16 0.00 -0.02 0.00 0.00 35.03 33.70 1f6u n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1f6u n ASP 48 N -1.78 2.14 -4.79 4.39 2.03 0.15 -5.04 116.55 113.65 1f6u n ASP 48 Ca 0.00 -3.34 -0.32 0.00 0.52 0.00 0.00 54.79 51.65 1f6u n ASP 48 Cb 0.05 -0.46 0.05 0.00 -0.72 0.00 0.00 41.12 40.04 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6u n THR 50 N -2.63 0.00 0.09 0.00 5.66 -1.26 -4.86 114.28 111.28 1f6u n THR 50 Ca 0.09 -0.12 -0.17 0.00 -3.05 0.00 0.00 64.05 60.80 1f6u n THR 50 Cb 0.53 0.45 -0.14 0.00 -1.55 0.00 0.00 70.33 69.61 1f6u n THR 50 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1f6u h GLU 51 N 0.12 0.28 -5.40 1.09 -0.00 -1.98 -3.45 114.58 105.24 1f6u h GLU 51 Ca -0.05 -0.48 -0.58 0.00 -0.00 0.00 0.00 59.36 58.25 1f6u h GLU 51 Cb 1.37 0.18 -0.06 0.00 -0.00 0.00 0.00 28.75 30.24 1f6u h GLU 51 CO -0.00 1.19 1.61 -2.13 -0.00 0.00 0.00 179.01 179.67 1f6u n ARG 52 N -3.51 0.19 -2.66 1.06 0.00 -1.26 -4.62 116.66 105.86 1f6u n ARG 52 Ca -0.12 0.02 -0.03 0.00 -0.00 0.00 0.00 57.85 57.72 1f6u n ARG 52 Cb 1.04 -1.76 0.12 0.00 0.00 0.00 0.00 32.46 31.85 1f6u n ARG 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1f6u n GLN 53 N 8.26 0.11 -0.07 -0.14 7.27 -1.26 -5.05 117.38 126.50 1f6u n GLN 53 Ca 0.58 -0.66 -0.07 0.00 0.07 0.00 0.00 57.00 56.92 1f6u n GLN 53 Cb 0.08 -0.11 -0.02 0.00 2.41 0.00 0.00 30.24 32.59 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 0.48 0.95 -0.40 1.69 0.00 -1.26 -5.29 120.51 116.69 1f6u n ALA 54 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1f6u n ALA 54 Cb 0.76 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1f6u n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59