#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs h GLN 2 N 0.00 -0.86 -7.08 2.12 4.15 -2.06 -3.42 115.11 107.96 1mfs h GLN 2 Ca 0.00 0.06 -0.51 0.00 0.77 0.00 0.00 58.65 58.97 1mfs h GLN 2 Cb 0.00 0.20 0.09 0.00 0.21 0.00 0.00 27.48 27.97 1mfs h GLN 2 CO 0.00 -0.57 0.46 0.21 -1.93 0.00 0.00 178.83 176.99 1mfs s LYS 3 N -5.57 3.25 0.00 1.69 2.20 -1.26 -4.95 119.74 115.09 1mfs s LYS 3 Ca -0.16 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1mfs s LYS 3 Cb 0.04 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 1mfs s LYS 3 CO 0.55 -0.96 0.77 0.41 -0.36 0.00 0.00 175.35 175.76 1mfs n GLY 4 N 0.33 -3.37 3.17 5.54 0.00 -1.26 -4.79 105.19 104.80 1mfs n GLY 4 Ca 0.12 0.66 0.05 0.00 0.00 0.00 0.00 46.02 46.85 1mfs n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mfs s ASN 5 N -2.97 -0.13 0.13 1.61 -0.87 -1.26 -4.88 114.94 106.57 1mfs s ASN 5 Ca 0.00 0.11 -0.26 0.00 -1.57 0.00 0.00 52.86 51.15 1mfs s ASN 5 Cb 0.00 1.12 0.07 0.00 -0.02 0.00 0.00 41.25 42.42 1mfs s ASN 5 CO 0.00 -0.02 0.96 0.12 -2.57 0.00 0.00 177.10 175.59 1mfs s PHE 6 N 2.65 -0.15 0.27 2.20 5.36 -1.26 -5.03 117.98 122.02 1mfs s PHE 6 Ca -0.05 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 55.77 1mfs s PHE 6 Cb -0.06 0.63 0.59 0.00 -0.34 0.00 0.00 43.02 43.84 1mfs s PHE 6 CO -0.11 -0.79 1.67 -0.09 -1.46 0.00 0.00 175.22 174.44 1mfs h ARG 7 N 2.00 0.24 -4.00 10.12 1.12 -2.03 -3.47 114.38 118.36 1mfs h ARG 7 Ca -0.24 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 1mfs h ARG 7 Cb 1.23 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 31.09 1mfs h ARG 7 CO 0.26 0.16 -0.84 0.09 -3.11 0.00 0.00 179.97 176.53 1mfs n ASN 8 N -5.19 -3.44 -0.55 -3.80 4.13 -1.26 -4.69 115.26 100.45 1mfs n ASN 8 Ca 0.18 0.98 0.45 0.00 1.68 0.00 0.00 54.58 57.87 1mfs n ASN 8 Cb 0.57 -3.66 0.73 0.00 -1.54 0.00 0.00 39.78 35.88 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mfs n GLN 9 N 1.10 -0.02 -1.72 3.52 0.00 -1.26 -4.87 117.38 114.12 1mfs n GLN 9 Ca -0.15 1.20 0.00 0.00 0.00 0.00 0.00 57.00 58.05 1mfs n GLN 9 Cb 0.24 -2.48 0.00 0.00 0.00 0.00 0.00 30.24 27.99 1mfs n GLN 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1mfs n ARG 10 N -4.46 -4.87 -0.81 2.61 1.74 -1.26 -5.00 116.66 104.60 1mfs n ARG 10 Ca 0.42 3.55 0.00 0.00 -0.77 0.00 0.00 57.85 61.05 1mfs n ARG 10 Cb 1.72 -3.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 1mfs n ARG 10 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mfs n LYS 11 N -0.02 -1.63 0.00 5.56 5.02 -1.26 -5.03 118.16 120.80 1mfs n LYS 11 Ca 0.00 1.38 0.00 0.00 -2.02 0.00 0.00 58.31 57.67 1mfs n LYS 11 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1mfs n LYS 11 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1mfs n THR 12 N 0.28 0.00 -3.04 -0.18 -1.04 -1.26 -5.05 114.28 103.99 1mfs n THR 12 Ca 0.00 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1mfs n THR 12 Cb 0.00 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1mfs n VAL 13 N 0.00 0.00 -3.36 12.58 0.24 -1.26 -4.96 118.33 121.56 1mfs n VAL 13 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 1mfs n VAL 13 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1mfs n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mfs s LYS 14 N -1.57 4.28 -0.36 7.34 -2.85 -1.26 -1.34 119.74 123.98 1mfs s LYS 14 Ca 0.00 0.33 -0.27 0.00 -1.00 0.00 0.00 55.97 55.03 1mfs s LYS 14 Cb 0.00 -3.46 0.02 0.00 -2.06 0.00 0.00 37.83 32.32 1mfs s LYS 14 CO 0.00 0.11 1.01 0.00 0.10 0.00 0.00 175.35 176.57 1mfs n PHE 16 N 6.94 0.12 -0.10 0.00 3.72 -1.26 0.22 117.46 127.09 1mfs n PHE 16 Ca 0.09 -0.06 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 1mfs n PHE 16 Cb 0.48 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.96 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mfs n ASN 17 N -0.26 1.90 -0.09 4.37 5.15 -1.26 -4.67 115.26 120.40 1mfs n ASN 17 Ca 0.06 0.42 -0.12 0.00 -0.60 0.00 0.00 54.58 54.33 1mfs n ASN 17 Cb 0.10 -0.83 -0.15 0.00 -0.53 0.00 0.00 39.78 38.37 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n GLY 19 N 1.84 0.68 3.90 0.00 0.00 0.13 -5.08 105.19 106.67 1mfs n GLY 19 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1mfs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 20 N -0.89 3.64 0.02 1.61 1.02 -1.21 -4.71 119.74 119.22 1mfs s LYS 20 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 1mfs s LYS 20 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1mfs s LYS 20 CO 0.00 0.27 0.21 -1.83 -0.92 0.00 0.00 175.35 173.08 1mfs s GLU 21 N -3.37 3.46 0.00 1.68 -1.05 -1.26 -0.14 118.70 118.02 1mfs s GLU 21 Ca 0.43 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 1mfs s GLU 21 Cb -0.11 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 1mfs s GLU 21 CO 0.28 0.64 0.00 0.41 0.95 0.00 0.00 175.26 177.54 1mfs n GLY 22 N 0.69 1.42 3.64 -3.83 0.00 -0.45 -4.94 105.19 101.72 1mfs n GLY 22 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 23 N -2.00 -0.04 0.35 1.61 -3.43 -1.18 -4.69 115.29 105.90 1mfs s HIS 23 Ca 0.00 -0.07 0.08 0.00 -0.80 0.00 0.00 55.06 54.27 1mfs s HIS 23 Cb 0.00 0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 31.66 1mfs s HIS 23 CO 0.00 -0.29 0.15 0.96 -2.00 0.00 0.00 174.74 173.56 1mfs s ILE 24 N -2.41 2.98 0.27 -5.38 -4.36 -1.26 -2.14 121.20 108.90 1mfs s ILE 24 Ca 0.15 -1.69 -0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1mfs s ILE 24 Cb 0.04 -2.98 0.27 0.00 1.25 0.00 0.00 42.46 41.05 1mfs s ILE 24 CO -0.04 -0.17 1.90 0.00 0.24 0.00 0.00 174.94 176.88 1mfs h ALA 25 N 1.53 1.40 0.00 2.27 0.00 -1.90 0.42 119.26 122.99 1mfs h ALA 25 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1mfs h ALA 25 Cb 1.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1mfs h ALA 25 CO 0.63 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 180.14 1mfs h LYS 26 N 1.18 0.00 -0.21 0.00 1.63 -2.00 -0.22 116.57 116.95 1mfs h LYS 26 Ca 0.40 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.11 1mfs h LYS 26 Cb 0.09 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1mfs h LYS 26 CO -0.14 0.00 -0.17 -1.71 -3.45 0.00 0.00 179.45 173.98 1mfs n ASN 27 N -2.99 2.42 -4.62 4.20 2.85 0.13 -4.98 115.26 112.27 1mfs n ASN 27 Ca -0.01 -3.65 -0.43 0.00 -0.11 0.00 0.00 54.58 50.38 1mfs n ASN 27 Cb 0.16 -0.58 -0.03 0.00 1.24 0.00 0.00 39.78 40.58 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n ARG 29 N 6.76 0.98 -1.99 0.00 0.63 -1.26 -4.85 116.66 116.93 1mfs n ARG 29 Ca 0.09 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.69 1mfs n ARG 29 Cb 0.48 -1.41 0.02 0.00 0.45 0.00 0.00 32.46 31.99 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1mfs s ALA 30 N -2.00 2.62 1.12 5.13 0.00 -1.26 -5.04 121.76 122.33 1mfs s ALA 30 Ca 0.39 0.56 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1mfs s ALA 30 Cb 0.18 -3.30 0.27 0.00 0.00 0.00 0.00 23.12 20.27 1mfs s ALA 30 CO 0.30 -0.98 1.22 -0.35 0.00 0.00 0.00 175.76 175.95 1mfs n PRO 31 N -2.00 -2.21 -1.03 0.00 -0.04 -1.26 -4.87 135.00 123.59 1mfs n PRO 31 Ca 0.10 -1.91 -0.29 0.00 -0.04 0.00 0.00 63.50 61.36 1mfs n PRO 31 Cb 0.52 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1mfs n PRO 31 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mfs n ARG 32 N -4.33 2.82 -1.89 0.54 1.85 -1.26 -4.91 116.66 109.49 1mfs n ARG 32 Ca 0.16 -1.73 -0.42 0.00 -1.00 0.00 0.00 57.85 54.85 1mfs n ARG 32 Cb 0.58 -2.55 -0.03 0.00 -1.05 0.00 0.00 32.46 29.42 1mfs n ARG 32 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1mfs s LYS 33 N 2.52 4.19 0.00 2.89 2.20 -1.26 -4.72 119.74 125.56 1mfs s LYS 33 Ca 0.57 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 1mfs s LYS 33 Cb 0.16 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1mfs s LYS 33 CO -0.04 -0.66 0.00 1.63 -0.36 0.00 0.00 175.35 175.92 1mfs n LYS 34 N 4.23 0.00 -3.58 4.03 5.02 -1.26 -5.16 118.16 121.43 1mfs n LYS 34 Ca 0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1mfs n LYS 34 Cb 0.38 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.34 1mfs n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mfs s GLY 35 N -0.87 -0.41 -0.16 0.72 0.00 -1.26 -4.31 107.32 101.03 1mfs s GLY 35 Ca 0.00 0.54 -0.32 0.00 0.00 0.00 0.00 44.72 44.94 1mfs s GLY 35 CO 0.00 0.25 2.06 0.00 0.00 0.00 0.00 173.10 175.40 1mfs n TRP 37 N 8.88 0.80 -0.11 0.00 -0.00 -1.26 -0.06 117.44 125.69 1mfs n TRP 37 Ca 0.28 -0.33 -0.19 0.00 -0.00 0.00 0.00 57.50 57.27 1mfs n TRP 37 Cb 0.34 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.42 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1mfs n LYS 38 N 0.55 0.51 -0.04 5.87 0.00 -1.26 -4.68 118.16 119.11 1mfs n LYS 38 Ca 0.14 0.16 -0.02 0.00 0.00 0.00 0.00 58.31 58.59 1mfs n LYS 38 Cb 0.52 -1.37 -0.10 0.00 0.00 0.00 0.00 35.03 34.08 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mfs n GLY 40 N 2.09 0.89 3.68 0.00 0.00 0.92 -4.74 105.19 108.03 1mfs n GLY 40 Ca -0.14 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1mfs n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 41 N -0.58 4.31 -0.84 1.61 -0.14 -1.09 -4.81 119.74 118.19 1mfs s LYS 41 Ca 0.00 1.78 -0.07 0.00 -1.36 0.00 0.00 55.97 56.33 1mfs s LYS 41 Cb 0.00 -3.61 -0.09 0.00 -1.68 0.00 0.00 37.83 32.46 1mfs s LYS 41 CO 0.00 -0.54 3.05 -0.85 -0.76 0.00 0.00 175.35 176.25 1mfs n GLU 42 N 5.53 3.09 0.00 1.68 0.28 -1.26 0.22 120.64 130.18 1mfs n GLU 42 Ca 0.12 -2.06 0.00 0.00 -0.16 0.00 0.00 57.16 55.07 1mfs n GLU 42 Cb 0.45 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 30.92 1mfs n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mfs n GLY 43 N 2.44 -1.56 3.87 -1.84 0.00 -1.26 -4.94 105.19 101.90 1mfs n GLY 43 Ca 0.59 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.74 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 44 N -0.40 3.06 0.50 1.61 -3.43 -1.26 -4.72 115.29 110.65 1mfs s HIS 44 Ca 0.00 0.97 0.03 0.00 -0.80 0.00 0.00 55.06 55.25 1mfs s HIS 44 Cb 0.00 -3.23 -0.01 0.00 -1.43 0.00 0.00 32.58 27.91 1mfs s HIS 44 CO 0.00 -1.56 0.07 1.14 -2.00 0.00 0.00 174.74 172.39 1mfs s GLN 45 N -5.38 2.19 0.23 -0.38 -2.07 -1.26 0.15 119.66 113.13 1mfs s GLN 45 Ca 0.60 -2.30 -0.07 0.00 -1.82 0.00 0.00 55.36 51.77 1mfs s GLN 45 Cb -0.12 -1.64 0.29 0.00 -1.09 0.00 0.00 33.01 30.45 1mfs s GLN 45 CO 0.52 -0.36 1.83 0.52 -1.32 0.00 0.00 175.29 176.47 1mfs h MET 46 N 1.30 0.80 0.00 9.60 2.86 -1.93 1.52 114.93 129.08 1mfs h MET 46 Ca -0.43 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1mfs h MET 46 Cb 1.30 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1mfs h MET 46 CO 0.72 0.53 0.00 -0.22 1.06 0.00 0.00 176.91 179.00 1mfs h LYS 47 N 0.82 0.00 -0.16 1.72 3.64 -2.01 -1.16 116.57 119.42 1mfs h LYS 47 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1mfs h LYS 47 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1mfs h LYS 47 CO -0.18 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.75 1mfs n ASP 48 N -3.03 2.91 -4.54 4.20 9.92 0.81 -4.95 116.55 121.87 1mfs n ASP 48 Ca -0.00 -2.61 -0.43 0.00 -0.53 0.00 0.00 54.79 51.21 1mfs n ASP 48 Cb 0.23 -0.34 -0.04 0.00 -0.64 0.00 0.00 41.12 40.33 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mfs n THR 50 N 6.29 0.86 0.00 0.00 -2.24 -1.26 -4.84 114.28 113.09 1mfs n THR 50 Ca 0.04 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1mfs n THR 50 Cb 0.48 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1mfs n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mfs n GLU 51 N -1.41 0.00 -0.98 -0.78 1.02 -1.26 -5.15 120.64 112.08 1mfs n GLU 51 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1mfs n GLU 51 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 1mfs n GLU 51 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mfs n ARG 52 N 0.00 0.00 -0.74 3.49 5.12 -1.26 -4.83 116.66 118.44 1mfs n ARG 52 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 1mfs n ARG 52 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1mfs n ARG 52 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfs n GLN 53 N 0.00 1.54 -3.47 5.56 10.64 -1.26 -4.69 117.38 125.70 1mfs n GLN 53 Ca 0.00 -1.41 -0.10 0.00 -1.83 0.00 0.00 57.00 53.66 1mfs n GLN 53 Cb 0.00 -2.52 -0.02 0.00 -0.86 0.00 0.00 30.24 26.84 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mfs s ALA 54 N 4.23 -1.74 0.00 2.61 0.00 -1.26 -5.17 121.76 120.42 1mfs s ALA 54 Ca 0.40 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1mfs s ALA 54 Cb 0.10 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1mfs s ALA 54 CO 0.03 -0.71 0.00 0.09 0.00 0.00 0.00 175.76 175.17