#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 -0.10 -0.11 0.03 6.02 -1.26 -4.83 117.38 117.13 1f6u n GLN 2 Ca 0.00 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1f6u n GLN 2 Cb 0.00 -2.03 -0.01 0.00 1.02 0.00 0.00 30.24 29.22 1f6u n GLN 2 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1f6u h LYS 3 N -1.23 0.49 0.00 -1.09 2.10 -2.09 -0.07 116.57 114.68 1f6u h LYS 3 Ca -0.44 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1f6u h LYS 3 Cb 1.30 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1f6u h LYS 3 CO 0.39 0.36 0.00 0.41 -2.00 0.00 0.00 179.45 178.61 1f6u n GLY 4 N -1.10 -0.75 0.18 0.07 0.00 -1.26 -1.44 105.19 100.89 1f6u n GLY 4 Ca -0.00 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.24 -1.32 -1.14 115.58 113.49 1f6u h ASN 5 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1f6u h ASN 5 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1f6u h ASN 5 CO 0.00 0.00 0.03 0.33 -1.29 0.00 0.00 177.43 176.50 1f6u n PHE 6 N -2.34 0.63 0.17 0.67 7.35 -0.52 -1.39 117.46 122.02 1f6u n PHE 6 Ca -0.01 0.33 0.10 0.00 -0.76 0.00 0.00 57.45 57.11 1f6u n PHE 6 Cb 0.06 -1.00 0.56 0.00 0.35 0.00 0.00 39.48 39.44 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 -2.15 0.13 0.11 -4.13 1.74 -0.43 -0.74 116.66 111.19 1f6u n ARG 7 Ca -0.01 0.63 0.08 0.00 -0.77 0.00 0.00 57.85 57.77 1f6u n ARG 7 Cb 0.06 -2.00 0.41 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.24 0.39 0.03 0.55 6.94 -0.49 -1.51 115.26 118.93 1f6u n ASN 8 Ca -0.01 0.68 0.20 0.00 -0.02 0.00 0.00 54.58 55.43 1f6u n ASN 8 Cb 0.10 -0.73 0.72 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.00 -3.83 -0.00 -1.03 0.28 115.11 110.53 1f6u h GLN 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1f6u h GLN 9 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.49 1f6u h GLN 9 CO 0.00 0.00 0.26 0.00 0.00 0.00 0.00 178.83 179.09 1f6u h ARG 10 N 0.00 0.00 -0.75 1.69 3.08 -1.53 -0.08 114.38 116.79 1f6u h ARG 10 Ca 0.23 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.94 1f6u h ARG 10 Cb 1.02 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.66 1f6u h ARG 10 CO -0.00 0.00 -1.08 1.17 -1.07 0.00 0.00 179.97 178.98 1f6u n LYS 11 N -2.76 1.87 0.00 0.04 4.81 0.98 -5.09 118.16 118.01 1f6u n LYS 11 Ca -0.02 -3.57 0.00 0.00 -0.87 0.00 0.00 58.31 53.85 1f6u n LYS 11 Cb 0.30 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.42 -0.55 -4.45 3.15 -1.04 -0.04 -5.07 114.28 105.86 1f6u n THR 12 Ca 0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.94 1f6u n THR 12 Cb 0.81 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.22 1f6u n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1f6u s VAL 13 N -2.12 1.27 -0.31 12.58 0.11 -1.26 -3.80 120.40 126.88 1f6u s VAL 13 Ca 0.00 -2.01 -0.03 0.00 -2.93 0.00 0.00 61.98 57.01 1f6u s VAL 13 Cb 0.00 -2.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.14 1f6u s VAL 13 CO 0.00 -0.04 0.02 -0.75 -3.33 0.00 0.00 175.10 171.00 1f6u s LYS 14 N -3.86 2.53 -0.35 1.54 2.20 -1.26 0.31 119.74 120.84 1f6u s LYS 14 Ca 0.35 -1.21 -0.28 0.00 -0.36 0.00 0.00 55.97 54.48 1f6u s LYS 14 Cb 0.08 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1f6u s LYS 14 CO 0.15 -0.61 2.09 0.00 -0.36 0.00 0.00 175.35 176.62 1f6u n PHE 16 N 12.22 0.00 0.00 0.00 7.35 -1.26 0.17 117.46 135.93 1f6u n PHE 16 Ca 0.28 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 1f6u n PHE 16 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 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 -0.82 0.00 0.12 -2.13 5.15 -1.26 -4.74 115.26 111.57 1f6u n ASN 17 Ca 0.08 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.07 1f6u n ASN 17 Cb 0.04 0.00 0.32 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.54 3.00 3.41 0.00 0.00 0.13 -5.04 105.19 106.14 1f6u n GLY 19 Ca -0.01 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 0.04 -3.62 1.61 5.02 -1.26 -3.59 118.16 116.36 1f6u n LYS 20 Ca 0.00 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.15 1f6u n LYS 20 Cb 0.00 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 33.23 1f6u n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1f6u s GLU 21 N -3.02 3.02 0.00 1.97 -1.05 -1.26 0.33 118.70 118.70 1f6u s GLU 21 Ca 0.60 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1f6u s GLU 21 Cb -0.29 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1f6u s GLU 21 CO 0.64 0.11 0.00 0.41 0.95 0.00 0.00 175.26 177.36 1f6u n GLY 22 N -1.53 1.65 2.87 -3.83 0.00 0.15 -4.87 105.19 99.63 1f6u n GLY 22 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.07 -4.48 1.61 1.44 -1.26 -4.41 115.22 107.06 1f6u n HIS 23 Ca 0.00 -2.20 -0.24 0.00 -2.01 0.00 0.00 57.72 53.27 1f6u n HIS 23 Cb 0.00 0.39 -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 -2.93 2.15 0.28 0.61 -4.36 -1.26 -2.23 121.20 113.46 1f6u s ILE 24 Ca 0.29 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1f6u s ILE 24 Cb 0.00 -2.43 0.27 0.00 1.25 0.00 0.00 42.46 41.55 1f6u s ILE 24 CO 0.21 -0.33 1.82 0.00 0.24 0.00 0.00 174.94 176.88 1f6u h ALA 25 N 2.21 1.47 -1.68 2.27 0.00 -1.89 0.14 119.26 121.77 1f6u h ALA 25 Ca -0.41 0.04 0.49 0.00 0.00 0.00 0.00 54.91 55.03 1f6u h ALA 25 Cb 1.25 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1f6u h ALA 25 CO 0.66 0.15 1.35 0.36 0.00 0.00 0.00 179.25 181.77 1f6u n LYS 26 N -4.68 0.00 -2.92 0.00 2.85 -1.26 -0.86 118.16 111.30 1f6u n LYS 26 Ca 0.19 1.05 -0.13 0.00 -1.05 0.00 0.00 58.31 58.37 1f6u n LYS 26 Cb 0.38 -2.49 0.04 0.00 -0.65 0.00 0.00 35.03 32.31 1f6u n LYS 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1f6u n ASN 27 N -3.69 -0.71 -4.74 -5.58 2.04 0.41 -5.12 115.26 97.87 1f6u n ASN 27 Ca 0.38 -3.26 -0.41 0.00 -0.44 0.00 0.00 54.58 50.85 1f6u n ASN 27 Cb 1.86 0.62 -0.04 0.00 -2.53 0.00 0.00 39.78 39.68 1f6u n ASN 27 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1f6u h ARG 29 N 4.78 0.08 -6.31 0.00 9.65 -1.92 -3.47 114.38 117.19 1f6u h ARG 29 Ca -0.45 -0.14 -0.58 0.00 -1.10 0.00 0.00 59.98 57.72 1f6u h ARG 29 Cb 1.21 0.05 0.19 0.00 -1.39 0.00 0.00 29.97 30.03 1f6u h ARG 29 CO 0.71 0.97 -0.86 0.00 2.80 0.00 0.00 179.97 183.59 1f6u n ALA 30 N -2.46 -2.53 -0.68 2.80 0.00 -1.26 -4.70 120.51 111.68 1f6u n ALA 30 Ca -0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 1f6u n ALA 30 Cb 0.99 -1.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 0.59 1.36 -1.83 0.00 -0.04 -1.26 -4.84 135.00 128.97 1f6u n PRO 31 Ca 0.08 -0.61 -0.21 0.00 -0.04 0.00 0.00 63.50 62.73 1f6u n PRO 31 Cb 0.49 -1.73 0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 2.44 -0.48 0.00 0.54 3.00 -1.26 -4.36 116.66 116.54 1f6u n ARG 32 Ca 0.26 -1.89 0.00 0.00 -0.01 0.00 0.00 57.85 56.21 1f6u n ARG 32 Cb 0.63 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 32.30 1f6u n ARG 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1f6u n LYS 33 N -2.83 0.00 -1.61 5.56 0.00 -1.26 -4.69 118.16 113.34 1f6u n LYS 33 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.47 1f6u n LYS 33 Cb 0.46 -0.53 0.02 0.00 0.00 0.00 0.00 35.03 34.98 1f6u n LYS 33 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1f6u n LYS 34 N -2.00 0.18 -3.69 1.64 2.85 -1.26 -5.01 118.16 110.87 1f6u n LYS 34 Ca 0.00 -2.07 -0.14 0.00 -1.05 0.00 0.00 58.31 55.05 1f6u n LYS 34 Cb 0.00 -0.12 -0.09 0.00 -0.65 0.00 0.00 35.03 34.18 1f6u n LYS 34 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1f6u s GLY 35 N -2.10 -0.37 -0.45 2.58 0.00 -0.77 -1.52 107.32 104.70 1f6u s GLY 35 Ca 0.31 1.23 -0.28 0.00 0.00 0.00 0.00 44.72 45.98 1f6u s GLY 35 CO -0.14 1.01 1.64 0.00 0.00 0.00 0.00 173.10 175.61 1f6u n TRP 37 N 10.25 0.80 -0.08 0.00 -0.00 -1.26 -0.59 117.44 126.56 1f6u n TRP 37 Ca 0.19 -0.31 -0.09 0.00 -0.00 0.00 0.00 57.50 57.29 1f6u n TRP 37 Cb 0.49 -0.19 -0.10 0.00 -0.00 0.00 0.00 31.31 31.50 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 1.26 -0.05 -2.67 4.81 -1.26 -4.75 118.16 115.89 1f6u n LYS 38 Ca 0.13 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.51 1f6u n LYS 38 Cb 0.55 -1.37 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 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 2.70 1.81 3.12 0.00 0.00 0.24 -5.11 105.19 107.95 1f6u n GLY 40 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 2.97 0.68 1.61 1.02 -1.10 -4.95 119.74 119.66 1f6u s LYS 41 Ca 0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 55.97 55.06 1f6u s LYS 41 Cb 0.00 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1f6u s LYS 41 CO 0.00 -0.18 1.06 -1.83 -0.92 0.00 0.00 175.35 173.47 1f6u s GLU 42 N 1.23 3.08 0.00 1.68 1.03 -1.26 -0.49 118.70 123.97 1f6u s GLU 42 Ca 0.03 0.77 0.00 0.00 0.03 0.00 0.00 54.97 55.80 1f6u s GLU 42 Cb -0.13 -2.02 0.00 0.00 -0.80 0.00 0.00 34.13 31.18 1f6u s GLU 42 CO -0.11 -0.95 0.00 0.41 -1.33 0.00 0.00 175.26 173.27 1f6u n GLY 43 N -2.44 0.40 2.91 -3.83 0.00 -0.58 -4.84 105.19 96.82 1f6u n GLY 43 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.86 -4.44 1.61 1.44 -1.24 -4.95 115.22 103.78 1f6u n HIS 44 Ca 0.00 -1.33 -0.22 0.00 -2.01 0.00 0.00 57.72 54.17 1f6u n HIS 44 Cb 0.00 0.66 -0.10 0.00 0.12 0.00 0.00 29.99 30.67 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 -2.06 1.67 0.46 -1.40 -2.07 -1.26 0.20 119.66 115.19 1f6u s GLN 45 Ca 0.13 -1.95 0.13 0.00 -1.82 0.00 0.00 55.36 51.85 1f6u s GLN 45 Cb -0.03 -0.71 1.06 0.00 -1.09 0.00 0.00 33.01 32.24 1f6u s GLN 45 CO 0.08 -0.27 2.06 0.00 -1.32 0.00 0.00 175.29 175.84 1f6u h MET 46 N 2.09 0.31 0.00 9.60 -0.00 -1.89 0.36 114.93 125.39 1f6u h MET 46 Ca -0.39 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 1f6u h MET 46 Cb 1.25 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1f6u h MET 46 CO 0.65 0.21 0.00 1.17 -0.00 0.00 0.00 176.91 178.94 1f6u n LYS 47 N -4.48 0.17 -1.14 -0.10 3.00 -1.26 -1.50 118.16 112.84 1f6u n LYS 47 Ca 0.04 0.56 0.04 0.00 -0.00 0.00 0.00 58.31 58.95 1f6u n LYS 47 Cb 0.19 -1.94 0.07 0.00 0.00 0.00 0.00 35.03 33.35 1f6u n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1f6u n ASP 48 N -2.28 1.16 -4.71 3.14 2.03 0.10 -5.09 116.55 110.91 1f6u n ASP 48 Ca -0.00 -2.55 -0.40 0.00 0.52 0.00 0.00 54.79 52.36 1f6u n ASP 48 Cb 0.11 -0.36 0.03 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.66 1.32 0.38 0.00 5.66 -1.26 -4.74 114.28 114.98 1f6u n THR 50 Ca 0.09 -1.42 -0.16 0.00 -3.05 0.00 0.00 64.05 59.50 1f6u n THR 50 Cb 0.42 0.24 -0.08 0.00 -1.55 0.00 0.00 70.33 69.37 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 0.22 -0.96 -3.22 1.09 4.22 -1.99 -3.49 114.58 110.44 1f6u h GLU 51 Ca 0.00 0.07 0.35 0.00 0.08 0.00 0.00 59.36 59.85 1f6u h GLU 51 Cb 0.71 0.22 -0.15 0.00 0.50 0.00 0.00 28.75 30.03 1f6u h GLU 51 CO 0.01 -0.63 -0.92 0.54 -2.18 0.00 0.00 179.01 175.83 1f6u n ARG 52 N -5.45 -3.01 -1.31 1.92 1.74 -1.26 -4.58 116.66 104.71 1f6u n ARG 52 Ca -0.13 2.29 -0.60 0.00 -0.77 0.00 0.00 57.85 58.64 1f6u n ARG 52 Cb 0.40 -3.58 -0.12 0.00 -1.02 0.00 0.00 32.46 28.15 1f6u n ARG 52 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1f6u n GLN 53 N -4.22 0.05 -1.31 5.56 7.27 -1.26 -4.75 117.38 118.72 1f6u n GLN 53 Ca -0.05 0.01 -0.41 0.00 0.07 0.00 0.00 57.00 56.63 1f6u n GLN 53 Cb 0.64 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.75 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 7.24 -2.76 -1.50 1.69 0.00 -1.26 -5.27 120.51 118.64 1f6u n ALA 54 Ca 0.52 0.07 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1f6u n ALA 54 Cb -0.03 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1f6u n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79