#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs n GLN 2 N 0.00 0.00 0.09 2.12 1.13 -1.26 -5.03 117.38 114.43 1mfs n GLN 2 Ca 0.00 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1mfs n GLN 2 Cb 0.00 -0.52 0.00 0.00 0.11 0.00 0.00 30.24 29.83 1mfs n GLN 2 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1mfs n LYS 3 N -1.74 0.00 0.00 -1.09 4.01 -1.26 -5.12 118.16 112.96 1mfs n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1mfs n LYS 3 Cb 0.00 -0.06 0.00 0.00 -0.51 0.00 0.00 35.03 34.46 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mfs n GLY 4 N 1.87 -1.31 3.24 0.72 0.00 -1.26 -5.11 105.19 103.35 1mfs n GLY 4 Ca 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 1mfs n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mfs s ASN 5 N -1.09 1.66 0.53 1.61 2.47 -1.26 -4.85 114.94 114.01 1mfs s ASN 5 Ca 0.00 -1.04 0.03 0.00 0.42 0.00 0.00 52.86 52.27 1mfs s ASN 5 Cb 0.00 0.02 0.03 0.00 -1.45 0.00 0.00 41.25 39.85 1mfs s ASN 5 CO 0.00 -0.38 0.74 0.12 -3.72 0.00 0.00 177.10 173.86 1mfs s PHE 6 N -3.40 2.74 -0.55 0.43 5.36 -1.26 -4.67 117.98 116.62 1mfs s PHE 6 Ca 0.17 -0.13 -0.25 0.00 -0.96 0.00 0.00 56.93 55.76 1mfs s PHE 6 Cb 0.03 -2.67 0.04 0.00 -0.34 0.00 0.00 43.02 40.08 1mfs s PHE 6 CO 0.01 -0.83 0.61 2.89 -1.46 0.00 0.00 175.22 176.44 1mfs n ARG 7 N -2.26 -1.71 0.00 10.12 1.85 -1.26 -4.87 116.66 118.53 1mfs n ARG 7 Ca 0.09 1.12 0.00 0.00 -1.00 0.00 0.00 57.85 58.06 1mfs n ARG 7 Cb 0.60 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 1mfs n ARG 7 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1mfs n ASN 8 N -0.95 0.00 -1.48 2.89 6.94 -1.26 -5.16 115.26 116.23 1mfs n ASN 8 Ca -0.17 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.56 1mfs n ASN 8 Cb 0.66 0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 38.06 1mfs n ASN 8 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1mfs n GLN 9 N -2.49 -3.46 -1.53 -3.83 -0.06 -1.26 -4.52 117.38 100.23 1mfs n GLN 9 Ca 0.00 2.83 -0.45 0.00 -2.00 0.00 0.00 57.00 57.38 1mfs n GLN 9 Cb 0.00 -3.99 -0.05 0.00 -4.06 0.00 0.00 30.24 22.14 1mfs n GLN 9 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1mfs n ARG 10 N -4.29 1.39 -0.75 3.69 3.00 -1.26 -4.90 116.66 113.54 1mfs n ARG 10 Ca -0.09 0.33 -0.33 0.00 -0.01 0.00 0.00 57.85 57.74 1mfs n ARG 10 Cb 0.69 -2.92 0.14 0.00 0.00 0.00 0.00 32.46 30.37 1mfs n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1mfs n LYS 11 N 8.59 -0.88 -3.69 5.56 4.81 -1.26 -4.94 118.16 126.34 1mfs n LYS 11 Ca 0.37 -0.23 -0.38 0.00 -0.87 0.00 0.00 58.31 57.20 1mfs n LYS 11 Cb 0.37 -1.72 -0.10 0.00 0.02 0.00 0.00 35.03 33.60 1mfs n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1mfs s THR 12 N -2.29 3.63 0.14 3.15 2.01 -1.26 -4.86 115.64 116.16 1mfs s THR 12 Ca 0.55 -1.94 0.07 0.00 0.31 0.00 0.00 61.69 60.68 1mfs s THR 12 Cb -0.16 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1mfs s THR 12 CO 0.67 -0.71 -0.15 0.68 -0.69 0.00 0.00 174.62 174.43 1mfs s VAL 13 N 1.23 1.46 -0.11 3.82 -7.23 -1.26 -5.03 120.40 113.28 1mfs s VAL 13 Ca 0.07 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1mfs s VAL 13 Cb -0.24 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.05 1mfs s VAL 13 CO -0.03 -0.43 -0.18 -1.59 -0.31 0.00 0.00 175.10 172.57 1mfs s LYS 14 N -2.84 2.49 -0.45 4.82 -2.85 -1.25 -0.89 119.74 118.78 1mfs s LYS 14 Ca 0.12 -0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 1mfs s LYS 14 Cb -0.04 -2.05 0.03 0.00 -2.06 0.00 0.00 37.83 33.71 1mfs s LYS 14 CO 0.04 -0.01 1.16 0.00 0.10 0.00 0.00 175.35 176.64 1mfs n PHE 16 N 7.80 0.10 -0.10 0.00 -0.00 -1.26 0.22 117.46 124.21 1mfs n PHE 16 Ca 0.12 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.45 57.39 1mfs n PHE 16 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.92 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1mfs n ASN 17 N -0.34 1.92 -0.05 -2.13 5.15 -1.26 -4.67 115.26 113.89 1mfs n ASN 17 Ca 0.07 0.39 -0.12 0.00 -0.60 0.00 0.00 54.58 54.32 1mfs n ASN 17 Cb 0.10 -0.79 -0.14 0.00 -0.53 0.00 0.00 39.78 38.41 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 1.75 1.27 3.42 0.00 0.00 0.13 -5.05 105.19 106.71 1mfs n GLY 19 Ca -0.26 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.18 2.85 0.37 1.61 1.02 -1.17 -4.85 119.74 118.39 1mfs s LYS 20 Ca 0.00 -0.71 -0.22 0.00 0.02 0.00 0.00 55.97 55.06 1mfs s LYS 20 Cb 0.00 -2.45 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1mfs s LYS 20 CO 0.00 0.44 0.92 -1.83 -0.92 0.00 0.00 175.35 173.96 1mfs s GLU 21 N -0.26 4.33 0.00 1.68 1.03 -1.26 -1.22 118.70 123.00 1mfs s GLU 21 Ca 0.01 1.14 0.00 0.00 0.03 0.00 0.00 54.97 56.15 1mfs s GLU 21 Cb -0.13 -2.44 0.00 0.00 -0.80 0.00 0.00 34.13 30.76 1mfs s GLU 21 CO 0.03 0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.48 1mfs n GLY 22 N -0.15 1.06 3.51 -3.83 0.00 -0.07 -4.92 105.19 100.79 1mfs n GLY 22 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.79 -0.41 0.38 1.61 -3.43 -1.25 -4.89 115.29 105.51 1mfs s HIS 23 Ca 0.00 0.43 -0.01 0.00 -0.80 0.00 0.00 55.06 54.67 1mfs s HIS 23 Cb 0.00 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.62 1mfs s HIS 23 CO 0.00 -0.55 0.61 0.96 -2.00 0.00 0.00 174.74 173.76 1mfs s ILE 24 N -2.55 5.05 0.27 -5.38 -4.36 -1.26 -0.35 121.20 112.62 1mfs s ILE 24 Ca 0.01 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.08 1mfs s ILE 24 Cb -0.01 -3.86 0.22 0.00 1.25 0.00 0.00 42.46 40.06 1mfs s ILE 24 CO -0.05 -0.62 1.89 0.00 0.24 0.00 0.00 174.94 176.40 1mfs h ALA 25 N 0.66 1.27 0.00 2.27 0.00 -1.88 0.49 119.26 122.06 1mfs h ALA 25 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1mfs h ALA 25 Cb 1.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1mfs h ALA 25 CO 0.62 0.59 0.00 -0.22 0.00 0.00 0.00 179.25 180.24 1mfs h LYS 26 N 1.11 0.00 -0.04 0.00 3.64 -1.95 -1.13 116.57 118.19 1mfs h LYS 26 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1mfs h LYS 26 Cb 0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1mfs h LYS 26 CO -0.05 0.00 -0.09 -1.71 -2.27 0.00 0.00 179.45 175.33 1mfs n ASN 27 N -2.90 2.42 -4.59 4.20 5.15 0.35 -5.00 115.26 114.89 1mfs n ASN 27 Ca -0.00 -3.26 -0.42 0.00 -0.60 0.00 0.00 54.58 50.30 1mfs n ASN 27 Cb 0.20 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 38.96 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n ARG 29 N 8.67 2.57 -3.82 0.00 1.85 -1.26 -4.63 116.66 120.04 1mfs n ARG 29 Ca 0.27 -1.74 -0.34 0.00 -1.00 0.00 0.00 57.85 55.04 1mfs n ARG 29 Cb 0.47 -1.59 -0.12 0.00 -1.05 0.00 0.00 32.46 30.17 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mfs s ALA 30 N -1.66 3.43 -1.17 2.89 0.00 -1.26 -4.99 121.76 119.01 1mfs s ALA 30 Ca 0.31 -3.21 -0.12 0.00 0.00 0.00 0.00 51.96 48.94 1mfs s ALA 30 Cb 0.20 -2.43 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 1mfs s ALA 30 CO 0.16 -2.04 2.30 -0.35 0.00 0.00 0.00 175.76 175.83 1mfs n PRO 31 N 3.41 2.50 -3.16 0.00 -0.04 -1.26 -4.55 135.00 131.90 1mfs n PRO 31 Ca 0.06 -1.96 0.02 0.00 -0.04 0.00 0.00 63.50 61.58 1mfs n PRO 31 Cb 0.36 -2.81 -0.01 0.00 -0.04 0.00 0.00 33.50 31.00 1mfs n PRO 31 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1mfs s ARG 32 N 3.43 0.69 0.55 0.54 6.06 -1.26 -4.99 118.95 123.98 1mfs s ARG 32 Ca 0.52 -0.06 0.28 0.00 -2.50 0.00 0.00 55.73 53.98 1mfs s ARG 32 Cb 0.14 0.12 1.63 0.00 0.06 0.00 0.00 34.95 36.90 1mfs s ARG 32 CO -0.02 -1.05 2.16 1.57 -2.50 0.00 0.00 175.30 175.46 1mfs h LYS 33 N 7.08 0.00 -2.46 5.12 2.10 -1.88 -3.41 116.57 123.12 1mfs h LYS 33 Ca 0.03 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.60 1mfs h LYS 33 Cb 1.19 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 32.27 1mfs h LYS 33 CO 0.09 0.06 -0.23 0.15 -2.00 0.00 0.00 179.45 177.53 1mfs s LYS 34 N -4.40 0.46 0.00 0.07 -0.14 -1.26 -4.90 119.74 109.57 1mfs s LYS 34 Ca -0.04 0.95 0.00 0.00 -1.36 0.00 0.00 55.97 55.52 1mfs s LYS 34 Cb 0.14 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.38 1mfs s LYS 34 CO 0.57 -0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.40 1mfs n GLY 35 N 4.47 2.94 3.63 -3.33 0.00 -1.26 -4.64 105.19 107.00 1mfs n GLY 35 Ca -0.20 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1mfs n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfs n TRP 37 N 8.85 0.82 -0.10 0.00 5.03 -1.26 -0.02 117.44 130.77 1mfs n TRP 37 Ca 0.20 -0.33 -0.17 0.00 3.03 0.00 0.00 57.50 60.23 1mfs n TRP 37 Cb 0.45 -0.14 -0.08 0.00 -1.03 0.00 0.00 31.31 30.50 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1mfs n LYS 38 N 0.57 0.47 -0.03 -0.99 0.00 -1.26 -4.69 118.16 112.22 1mfs n LYS 38 Ca 0.15 0.14 -0.00 0.00 0.00 0.00 0.00 58.31 58.60 1mfs n LYS 38 Cb 0.54 -1.33 -0.10 0.00 0.00 0.00 0.00 35.03 34.14 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 2.02 0.72 3.64 0.00 0.00 0.98 -5.05 105.19 107.50 1mfs n GLY 40 Ca -0.12 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1mfs n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 41 N -0.88 4.13 -0.79 1.61 2.36 -1.13 -4.83 119.74 120.21 1mfs s LYS 41 Ca 0.00 0.44 -0.22 0.00 -2.55 0.00 0.00 55.97 53.64 1mfs s LYS 41 Cb 0.00 -3.62 0.08 0.00 -1.05 0.00 0.00 37.83 33.24 1mfs s LYS 41 CO 0.00 -0.30 1.12 -1.83 1.55 0.00 0.00 175.35 175.90 1mfs s GLU 42 N 2.12 3.32 0.00 4.03 -1.05 -1.26 -0.20 118.70 125.66 1mfs s GLU 42 Ca 0.24 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1mfs s GLU 42 Cb -0.16 -4.57 0.00 0.00 -0.44 0.00 0.00 34.13 28.97 1mfs s GLU 42 CO 0.09 -1.91 0.00 0.41 0.95 0.00 0.00 175.26 174.80 1mfs n GLY 43 N 5.61 0.03 3.96 -3.83 0.00 -1.26 -4.97 105.19 104.73 1mfs n GLY 43 Ca 0.10 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.07 0.43 1.61 -3.43 -1.26 -4.82 115.29 110.89 1mfs s HIS 44 Ca 0.00 0.15 0.05 0.00 -0.80 0.00 0.00 55.06 54.46 1mfs s HIS 44 Cb 0.00 -2.53 -0.06 0.00 -1.43 0.00 0.00 32.58 28.56 1mfs s HIS 44 CO 0.00 -0.61 0.02 -0.65 -2.00 0.00 0.00 174.74 171.50 1mfs s GLN 45 N -4.67 1.98 0.24 -0.38 -1.52 -1.26 -2.44 119.66 111.61 1mfs s GLN 45 Ca 0.52 -2.17 -0.06 0.00 -1.95 0.00 0.00 55.36 51.71 1mfs s GLN 45 Cb -0.10 -1.48 0.27 0.00 -0.22 0.00 0.00 33.01 31.47 1mfs s GLN 45 CO 0.39 -0.16 1.91 1.98 -0.25 0.00 0.00 175.29 179.15 1mfs h MET 46 N 1.70 1.21 0.00 2.91 1.85 -1.92 1.50 114.93 122.19 1mfs h MET 46 Ca -0.43 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 1mfs h MET 46 Cb 1.26 -0.27 0.00 0.00 0.43 0.00 0.00 31.60 33.02 1mfs h MET 46 CO 0.77 0.80 0.00 -0.22 -0.40 0.00 0.00 176.91 177.86 1mfs h LYS 47 N 1.25 0.00 0.00 0.39 3.11 -2.04 -1.25 116.57 118.03 1mfs h LYS 47 Ca 0.36 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.20 1mfs h LYS 47 Cb -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1mfs h LYS 47 CO -0.10 0.00 -0.01 -3.47 -2.81 0.00 0.00 179.45 173.07 1mfs n ASP 48 N -3.03 2.25 -4.53 4.20 2.03 0.31 -4.97 116.55 112.80 1mfs n ASP 48 Ca -0.01 -2.86 -0.43 0.00 0.52 0.00 0.00 54.79 52.01 1mfs n ASP 48 Cb 0.20 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.20 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mfs n THR 50 N 6.10 0.01 -1.10 0.00 5.66 -1.26 -4.96 114.28 118.73 1mfs n THR 50 Ca 0.02 -0.03 0.14 0.00 -3.05 0.00 0.00 64.05 61.13 1mfs n THR 50 Cb 0.48 -0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 68.88 1mfs n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1mfs n GLU 51 N -0.78 -2.48 0.00 1.09 4.07 -1.26 -4.69 120.64 116.58 1mfs n GLU 51 Ca 0.19 1.95 0.00 0.00 -0.06 0.00 0.00 57.16 59.24 1mfs n GLU 51 Cb 0.11 -2.93 0.00 0.00 -0.06 0.00 0.00 31.44 28.56 1mfs n GLU 51 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1mfs n ARG 52 N -3.84 0.00 -5.19 5.31 5.12 -1.26 -4.43 116.66 112.37 1mfs n ARG 52 Ca -0.05 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.55 1mfs n ARG 52 Cb 0.52 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.65 1mfs n ARG 52 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1mfs s GLN 53 N 0.00 3.01 -0.77 5.56 0.00 -1.26 -5.07 119.66 121.13 1mfs s GLN 53 Ca 0.00 -0.87 -0.22 0.00 -0.00 0.00 0.00 55.36 54.28 1mfs s GLN 53 Cb 0.00 -2.31 0.08 0.00 0.00 0.00 0.00 33.01 30.78 1mfs s GLN 53 CO 0.00 0.21 1.06 0.00 0.00 0.00 0.00 175.29 176.56 1mfs s ALA 54 N 0.27 3.14 0.00 2.60 0.00 -1.26 -4.66 121.76 121.84 1mfs s ALA 54 Ca -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.68 1mfs s ALA 54 Cb -0.17 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1mfs s ALA 54 CO 0.08 -2.93 0.00 0.27 0.00 0.00 0.00 175.76 173.18