#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 1.14 0.25 2.12 0.74 -1.26 -4.99 119.66 117.66 1f6u s GLN 2 Ca 0.00 -0.77 -0.05 0.00 0.05 0.00 0.00 55.36 54.59 1f6u s GLN 2 Cb 0.00 -2.36 0.31 0.00 1.10 0.00 0.00 33.01 32.07 1f6u s GLN 2 CO 0.00 -0.65 1.90 1.57 -0.55 0.00 0.00 175.29 177.56 1f6u h LYS 3 N 8.08 1.18 -0.08 1.67 2.10 -2.08 0.47 116.57 127.90 1f6u h LYS 3 Ca -0.17 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.44 1f6u h LYS 3 Cb 1.09 -0.27 -0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1f6u h LYS 3 CO 0.39 0.78 0.09 0.78 -2.00 0.00 0.00 179.45 179.48 1f6u h GLY 4 N 1.21 0.00 1.04 0.07 0.00 -2.02 -0.16 103.07 103.21 1f6u h GLY 4 Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.78 1f6u h GLY 4 CO -0.12 0.00 0.46 -0.57 0.00 0.00 0.00 176.54 176.31 1f6u h ASN 5 N 0.00 0.60 -0.08 0.19 -0.73 -1.32 0.19 115.58 114.44 1f6u h ASN 5 Ca 0.04 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.24 1f6u h ASN 5 Cb 0.21 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 1f6u h ASN 5 CO -0.00 0.38 0.11 0.15 -0.37 0.00 0.00 177.43 177.70 1f6u h PHE 6 N 0.68 0.00 0.00 0.67 3.04 -1.11 0.11 116.94 120.34 1f6u h PHE 6 Ca 0.31 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1f6u h PHE 6 Cb 0.31 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.82 1f6u h PHE 6 CO -0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 178.31 174.16 1f6u n ARG 7 N -3.68 0.08 0.22 1.11 0.63 0.67 -1.42 116.66 114.27 1f6u n ARG 7 Ca -0.01 0.54 0.14 0.00 -0.92 0.00 0.00 57.85 57.60 1f6u n ARG 7 Cb 0.20 -1.74 0.74 0.00 0.45 0.00 0.00 32.46 32.12 1f6u n ARG 7 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 1f6u h ASN 8 N 0.00 0.00 -0.55 6.15 -1.07 -0.92 -0.54 115.58 118.65 1f6u h ASN 8 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 56.30 56.46 1f6u h ASN 8 Cb 0.05 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.27 1f6u h ASN 8 CO 0.00 0.00 0.37 -0.61 0.07 0.00 0.00 177.43 177.26 1f6u h GLN 9 N 0.00 0.36 0.00 4.14 4.15 -1.35 0.24 115.11 122.65 1f6u h GLN 9 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1f6u h GLN 9 Cb 0.10 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1f6u h GLN 9 CO 0.00 0.24 0.16 0.00 -1.93 0.00 0.00 178.83 177.30 1f6u h ARG 10 N 0.37 0.00 -0.72 1.69 3.08 -1.35 0.18 114.38 117.63 1f6u h ARG 10 Ca 0.25 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.89 1f6u h ARG 10 Cb 0.51 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.14 1f6u h ARG 10 CO -0.06 0.00 -0.97 1.17 -1.07 0.00 0.00 179.97 179.04 1f6u n LYS 11 N -2.84 2.59 0.00 0.04 4.81 0.82 -5.08 118.16 118.50 1f6u n LYS 11 Ca -0.02 -3.84 0.00 0.00 -0.87 0.00 0.00 58.31 53.57 1f6u n LYS 11 Cb 0.22 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 -0.58 -0.68 -4.52 3.15 -1.04 0.05 -5.05 114.28 105.60 1f6u n THR 12 Ca 0.25 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 62.02 1f6u n THR 12 Cb 0.86 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.97 1.62 -0.16 12.58 0.11 -1.26 -3.86 120.40 127.46 1f6u s VAL 13 Ca 0.00 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.03 1f6u s VAL 13 Cb 0.00 -2.84 -0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1f6u s VAL 13 CO 0.00 -0.04 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.83 1f6u s LYS 14 N -3.79 3.21 -0.35 1.54 2.20 -1.26 -0.45 119.74 120.85 1f6u s LYS 14 Ca 0.35 -0.75 -0.23 0.00 -0.36 0.00 0.00 55.97 54.99 1f6u s LYS 14 Cb 0.09 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 1f6u s LYS 14 CO 0.16 -0.00 0.77 0.00 -0.36 0.00 0.00 175.35 175.92 1f6u n PHE 16 N 6.32 0.20 -0.01 0.00 -1.74 -1.26 0.28 117.46 121.25 1f6u n PHE 16 Ca 0.03 -0.08 -0.05 0.00 -0.56 0.00 0.00 57.45 56.79 1f6u n PHE 16 Cb 0.48 -0.07 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 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 -0.08 1.16 -0.05 5.98 5.15 -1.26 -4.79 115.26 121.38 1f6u n ASN 17 Ca 0.04 0.17 -0.10 0.00 -0.60 0.00 0.00 54.58 54.09 1f6u n ASN 17 Cb 0.21 -0.41 -0.15 0.00 -0.53 0.00 0.00 39.78 38.91 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 1.66 2.91 3.04 0.00 0.00 0.14 -5.04 105.19 107.91 1f6u n GLY 19 Ca -0.24 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.70 -4.40 1.61 4.81 -1.26 -3.86 118.16 113.36 1f6u n LYS 20 Ca 0.00 -0.50 -0.21 0.00 -0.87 0.00 0.00 58.31 56.74 1f6u n LYS 20 Cb 0.00 -1.43 -0.10 0.00 0.02 0.00 0.00 35.03 33.52 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 -3.17 1.49 0.00 1.64 -1.05 -1.26 -0.23 118.70 116.12 1f6u s GLU 21 Ca 0.37 -1.71 0.00 0.00 -0.15 0.00 0.00 54.97 53.48 1f6u s GLU 21 Cb -0.05 -1.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.39 1f6u s GLU 21 CO 0.41 0.15 0.00 0.41 0.95 0.00 0.00 175.26 177.18 1f6u n GLY 22 N -0.51 1.61 2.48 -3.83 0.00 0.41 -4.85 105.19 100.50 1f6u n GLY 22 Ca -0.06 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.59 -4.40 1.61 1.44 -1.26 -4.44 115.22 107.58 1f6u n HIS 23 Ca 0.00 -2.16 -0.22 0.00 -2.01 0.00 0.00 57.72 53.32 1f6u n HIS 23 Cb 0.00 0.22 -0.10 0.00 0.12 0.00 0.00 29.99 30.22 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 -3.03 2.12 0.39 0.61 -4.36 -1.26 -3.22 121.20 112.44 1f6u s ILE 24 Ca 0.30 -2.20 0.14 0.00 -0.26 0.00 0.00 60.65 58.63 1f6u s ILE 24 Cb 0.01 -2.11 0.36 0.00 1.25 0.00 0.00 42.46 41.97 1f6u s ILE 24 CO 0.21 -0.40 1.85 0.00 0.24 0.00 0.00 174.94 176.85 1f6u h ALA 25 N 2.68 2.06 -1.77 2.27 0.00 -1.91 0.21 119.26 122.80 1f6u h ALA 25 Ca -0.41 0.02 0.53 0.00 0.00 0.00 0.00 54.91 55.05 1f6u h ALA 25 Cb 1.23 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1f6u h ALA 25 CO 0.57 -0.34 1.25 -0.22 0.00 0.00 0.00 179.25 180.51 1f6u h LYS 26 N 0.51 0.01 -0.95 0.00 3.64 -2.00 -0.91 116.57 116.88 1f6u h LYS 26 Ca 0.47 -0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.50 1f6u h LYS 26 Cb 1.03 -0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.55 1f6u h LYS 26 CO -0.21 0.01 -0.87 0.27 -2.27 0.00 0.00 179.45 176.38 1f6u n ASN 27 N -4.13 -0.29 -4.78 4.20 2.04 0.68 -5.12 115.26 107.86 1f6u n ASN 27 Ca 0.41 -3.04 -0.36 0.00 -0.44 0.00 0.00 54.58 51.15 1f6u n ASN 27 Cb 1.83 0.32 -0.01 0.00 -2.53 0.00 0.00 39.78 39.39 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 -0.63 1.94 -1.42 0.00 1.85 -1.26 -5.05 116.66 112.08 1f6u n ARG 29 Ca 0.08 -3.22 -0.47 0.00 -1.00 0.00 0.00 57.85 53.24 1f6u n ARG 29 Cb 0.49 -1.88 -0.02 0.00 -1.05 0.00 0.00 32.46 30.00 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 -1.11 -2.40 -0.73 2.89 0.00 -1.26 -4.70 120.51 113.20 1f6u n ALA 30 Ca 0.37 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 54.11 1f6u n ALA 30 Cb 1.09 -1.67 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 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 0.97 1.46 -3.52 0.00 -0.04 -1.26 -4.71 135.00 127.90 1f6u n PRO 31 Ca 0.16 -0.71 -0.13 0.00 -0.04 0.00 0.00 63.50 62.78 1f6u n PRO 31 Cb 0.28 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.87 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 1.45 0.90 0.00 0.54 0.52 -1.26 -5.10 118.95 116.00 1f6u s ARG 32 Ca 0.47 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1f6u s ARG 32 Cb 0.23 0.42 0.00 0.00 0.52 0.00 0.00 34.95 36.12 1f6u s ARG 32 CO 0.00 -0.33 0.00 1.17 0.02 0.00 0.00 175.30 176.16 1f6u n LYS 33 N 0.41 0.00 -3.79 3.54 4.81 -1.26 -4.93 118.16 116.93 1f6u n LYS 33 Ca -0.14 0.31 -0.25 0.00 -0.87 0.00 0.00 58.31 57.36 1f6u n LYS 33 Cb 0.60 -0.80 -0.17 0.00 0.02 0.00 0.00 35.03 34.67 1f6u n LYS 33 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1f6u s LYS 34 N -0.95 0.83 0.13 1.64 1.02 -1.26 -5.13 119.74 116.02 1f6u s LYS 34 Ca 0.00 -0.15 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 1f6u s LYS 34 Cb 0.00 -1.47 0.05 0.00 -0.52 0.00 0.00 37.83 35.89 1f6u s LYS 34 CO 0.00 -0.40 0.50 0.20 -0.92 0.00 0.00 175.35 174.72 1f6u s GLY 35 N 1.87 -0.43 -0.52 -3.33 0.00 -1.19 -1.49 107.32 102.22 1f6u s GLY 35 Ca 0.03 0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.73 1f6u s GLY 35 CO -0.07 -0.03 1.38 0.00 0.00 0.00 0.00 173.10 174.39 1f6u n TRP 37 N 9.21 0.68 -0.11 0.00 2.14 -1.26 -0.50 117.44 127.60 1f6u n TRP 37 Ca 0.13 -0.28 -0.13 0.00 2.07 0.00 0.00 57.50 59.29 1f6u n TRP 37 Cb 0.49 -0.12 -0.12 0.00 -0.81 0.00 0.00 31.31 30.75 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 0.43 0.76 -0.06 -2.67 3.00 -1.26 -4.72 118.16 113.64 1f6u n LYS 38 Ca 0.12 0.08 -0.11 0.00 -0.00 0.00 0.00 58.31 58.41 1f6u n LYS 38 Cb 0.46 -1.46 -0.05 0.00 0.00 0.00 0.00 35.03 33.97 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 2.65 1.96 3.12 0.00 0.00 0.34 -5.11 105.19 108.15 1f6u n GLY 40 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.28 2.52 0.67 1.61 -0.14 -1.02 -4.93 119.74 118.16 1f6u s LYS 41 Ca 0.00 -1.17 -0.14 0.00 -1.36 0.00 0.00 55.97 53.30 1f6u s LYS 41 Cb 0.00 -2.89 0.01 0.00 -1.68 0.00 0.00 37.83 33.26 1f6u s LYS 41 CO 0.00 -0.48 1.10 -1.83 -0.76 0.00 0.00 175.35 173.38 1f6u s GLU 42 N 1.20 2.77 0.00 1.68 -1.05 -1.26 -0.36 118.70 121.68 1f6u s GLU 42 Ca -0.04 1.32 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 1f6u s GLU 42 Cb -0.18 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.56 1f6u s GLU 42 CO -0.06 -1.26 0.00 0.41 0.95 0.00 0.00 175.26 175.30 1f6u n GLY 43 N -0.73 1.75 2.30 -3.83 0.00 -0.56 -4.78 105.19 99.34 1f6u n GLY 43 Ca 0.10 0.00 -0.17 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 -0.03 0.01 -4.35 1.61 1.44 -1.25 -4.87 115.22 107.78 1f6u n HIS 44 Ca 0.00 -1.82 -0.18 0.00 -2.01 0.00 0.00 57.72 53.71 1f6u n HIS 44 Cb 0.00 0.02 -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 -3.05 1.42 0.14 -1.40 -2.07 -1.26 0.20 119.66 113.64 1f6u s GLN 45 Ca 0.16 -1.75 -0.21 0.00 -1.82 0.00 0.00 55.36 51.75 1f6u s GLN 45 Cb 0.01 -0.57 0.02 0.00 -1.09 0.00 0.00 33.01 31.38 1f6u s GLN 45 CO 0.11 -0.17 1.66 1.98 -1.32 0.00 0.00 175.29 177.56 1f6u h MET 46 N 2.38 -0.13 0.00 9.60 1.85 -1.91 0.52 114.93 127.25 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 1.23 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.29 1f6u h MET 46 CO 0.65 -0.08 0.22 -0.22 -0.40 0.00 0.00 176.91 177.08 1f6u h LYS 47 N -0.13 0.00 -0.57 0.39 3.64 -1.88 0.39 116.57 118.40 1f6u h LYS 47 Ca 0.13 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.10 1f6u h LYS 47 Cb 0.33 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 31.77 1f6u h LYS 47 CO -0.32 0.00 -0.86 -0.25 -2.27 0.00 0.00 179.45 175.75 1f6u n ASP 48 N -2.68 3.68 -4.83 4.20 8.00 0.16 -3.25 116.55 121.83 1f6u n ASP 48 Ca -0.02 -3.31 -0.33 0.00 0.71 0.00 0.00 54.79 51.84 1f6u n ASP 48 Cb 0.27 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.91 1f6u n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f6u h THR 50 N 2.04 1.58 0.38 0.00 1.35 -1.88 -3.25 112.91 113.13 1f6u h THR 50 Ca -0.48 -3.28 -0.02 0.00 -0.55 0.00 0.00 66.41 62.08 1f6u h THR 50 Cb 1.18 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 1f6u h THR 50 CO 0.63 0.91 -0.18 -0.08 -0.25 0.00 0.00 175.52 176.56 1f6u h GLU 51 N 0.02 -0.49 -2.90 4.72 4.57 -1.96 -3.44 114.58 115.10 1f6u h GLU 51 Ca -0.07 0.03 -0.47 0.00 -1.18 0.00 0.00 59.36 57.67 1f6u h GLU 51 Cb 1.84 0.11 -0.40 0.00 -0.16 0.00 0.00 28.75 30.14 1f6u h GLU 51 CO 0.14 -0.28 -0.75 0.50 -1.18 0.00 0.00 179.01 177.43 1f6u s ARG 52 N -3.34 0.12 0.31 1.92 3.52 -1.26 -5.14 118.95 115.09 1f6u s ARG 52 Ca -0.08 -0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 1f6u s ARG 52 Cb 0.01 -1.52 -0.02 0.00 -1.56 0.00 0.00 34.95 31.85 1f6u s ARG 52 CO 0.27 -0.80 0.47 1.14 -0.81 0.00 0.00 175.30 175.56 1f6u s GLN 53 N 2.14 3.31 0.17 5.12 0.00 -1.22 -4.37 119.66 124.81 1f6u s GLN 53 Ca 0.05 -0.72 0.03 0.00 -0.00 0.00 0.00 55.36 54.72 1f6u s GLN 53 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 33.01 30.02 1f6u s GLN 53 CO -0.20 0.18 -0.03 0.00 0.00 0.00 0.00 175.29 175.24 1f6u s ALA 54 N -2.17 1.43 0.00 2.60 0.00 -1.20 -5.00 121.76 117.42 1f6u s ALA 54 Ca 0.40 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1f6u s ALA 54 Cb -0.09 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1f6u s ALA 54 CO 0.32 -0.24 0.00 -1.71 0.00 0.00 0.00 175.76 174.13