#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 -2.88 -1.44 2.12 3.00 -1.26 -4.88 117.38 112.04 1mfs n GLN 2 Ca 0.00 2.32 -0.30 0.00 -0.01 0.00 0.00 57.00 59.01 1mfs n GLN 2 Cb 0.00 -3.46 0.21 0.00 0.00 0.00 0.00 30.24 26.99 1mfs n GLN 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1mfs s LYS 3 N -4.19 -0.22 -0.05 -1.09 -2.85 -1.26 -4.90 119.74 105.19 1mfs s LYS 3 Ca 0.00 -0.12 -0.36 0.00 -1.00 0.00 0.00 55.97 54.49 1mfs s LYS 3 Cb 0.00 -1.72 -0.14 0.00 -2.06 0.00 0.00 37.83 33.91 1mfs s LYS 3 CO 0.00 -3.04 1.69 0.41 0.10 0.00 0.00 175.35 174.51 1mfs n GLY 4 N -2.09 1.07 3.05 0.59 0.00 -1.26 -4.93 105.19 101.62 1mfs n GLY 4 Ca 0.13 0.81 -0.34 0.00 0.00 0.00 0.00 46.02 46.62 1mfs n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s ASN 5 N 2.63 4.94 0.00 1.61 2.20 -1.26 -4.87 114.94 120.19 1mfs s ASN 5 Ca 0.90 -2.50 0.00 0.00 -0.94 0.00 0.00 52.86 50.31 1mfs s ASN 5 Cb -0.83 -1.75 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 1mfs s ASN 5 CO 0.51 -0.39 0.00 0.33 -2.94 0.00 0.00 177.10 174.61 1mfs n PHE 6 N 3.89 0.00 -4.16 1.54 -0.00 -1.26 -4.67 117.46 112.80 1mfs n PHE 6 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.38 1mfs n PHE 6 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.76 1mfs n PHE 6 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1mfs s ARG 7 N 0.00 0.93 0.14 -4.13 1.04 -1.26 -5.06 118.95 110.61 1mfs s ARG 7 Ca 0.00 -1.44 0.00 0.00 -1.04 0.00 0.00 55.73 53.25 1mfs s ARG 7 Cb 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 34.95 33.06 1mfs s ARG 7 CO 0.00 -0.23 0.00 -1.71 -0.04 0.00 0.00 175.30 173.32 1mfs n ASN 8 N -0.10 -0.99 -1.40 -2.89 5.15 -1.26 -4.95 115.26 108.81 1mfs n ASN 8 Ca -0.06 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1mfs n ASN 8 Cb 0.63 1.18 0.00 0.00 -0.53 0.00 0.00 39.78 41.07 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n GLN 9 N -2.81 -4.00 0.35 1.20 1.13 -1.26 -4.83 117.38 107.15 1mfs n GLN 9 Ca 0.00 2.96 -0.13 0.00 -1.94 0.00 0.00 57.00 57.89 1mfs n GLN 9 Cb 0.00 -3.31 -0.06 0.00 0.11 0.00 0.00 30.24 26.97 1mfs n GLN 9 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1mfs h ARG 10 N 1.67 -0.85 0.00 -1.09 1.12 -2.01 -3.47 114.38 109.76 1mfs h ARG 10 Ca 0.00 0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1mfs h ARG 10 Cb 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1mfs h ARG 10 CO 0.00 -0.56 0.00 1.63 -3.11 0.00 0.00 179.97 177.93 1mfs n LYS 11 N -4.42 0.00 -1.79 0.20 5.02 -1.26 -5.03 118.16 110.88 1mfs n LYS 11 Ca -0.11 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.92 1mfs n LYS 11 Cb 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.31 1mfs n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mfs s THR 12 N -2.00 3.19 1.17 -0.18 2.01 -1.26 -4.93 115.64 113.64 1mfs s THR 12 Ca 0.00 -0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.78 1mfs s THR 12 Cb 0.00 -3.46 0.28 0.00 0.01 0.00 0.00 72.50 69.33 1mfs s THR 12 CO 0.00 -0.44 1.03 0.68 -0.69 0.00 0.00 174.62 175.20 1mfs s VAL 13 N 11.95 1.89 -0.03 3.82 -7.23 -1.26 -4.72 120.40 124.81 1mfs s VAL 13 Ca 0.83 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 61.03 1mfs s VAL 13 Cb -0.12 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1mfs s VAL 13 CO 0.11 0.00 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.18 1mfs s LYS 14 N -4.70 1.40 -0.39 4.82 -2.85 -1.14 -1.32 119.74 115.55 1mfs s LYS 14 Ca 0.68 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.92 1mfs s LYS 14 Cb -0.21 -1.25 0.02 0.00 -2.06 0.00 0.00 37.83 34.32 1mfs s LYS 14 CO 0.62 0.20 0.88 0.00 0.10 0.00 0.00 175.35 177.15 1mfs n PHE 16 N 6.77 0.31 -0.12 0.00 -0.00 -1.26 0.21 117.46 123.37 1mfs n PHE 16 Ca 0.05 -0.15 -0.20 0.00 -0.00 0.00 0.00 57.45 57.15 1mfs n PHE 16 Cb 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.84 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 0.19 1.99 -0.07 -2.13 5.15 -1.26 -4.70 115.26 114.42 1mfs n ASN 17 Ca 0.09 -0.01 -0.10 0.00 -0.60 0.00 0.00 54.58 53.96 1mfs n ASN 17 Cb 0.21 -0.54 -0.07 0.00 -0.53 0.00 0.00 39.78 38.85 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 2.79 1.73 3.47 0.00 0.00 0.13 -5.08 105.19 108.23 1mfs n GLY 19 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.58 2.57 0.25 1.61 -0.14 -1.17 -4.87 119.74 117.41 1mfs s LYS 20 Ca 0.00 -0.69 -0.22 0.00 -1.36 0.00 0.00 55.97 53.70 1mfs s LYS 20 Cb 0.00 -2.40 -0.09 0.00 -1.68 0.00 0.00 37.83 33.66 1mfs s LYS 20 CO 0.00 0.60 0.80 -1.83 -0.76 0.00 0.00 175.35 174.15 1mfs s GLU 21 N -0.66 4.37 0.00 1.68 -1.05 -1.26 -0.72 118.70 121.06 1mfs s GLU 21 Ca 0.10 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.95 1mfs s GLU 21 Cb -0.11 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1mfs s GLU 21 CO 0.01 0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.99 1mfs n GLY 22 N 0.69 1.01 3.77 -3.83 0.00 -0.44 -4.93 105.19 101.47 1mfs n GLY 22 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.83 -0.01 0.40 1.61 -3.43 -1.24 -4.89 115.29 105.89 1mfs s HIS 23 Ca 0.00 -0.14 0.08 0.00 -0.80 0.00 0.00 55.06 54.19 1mfs s HIS 23 Cb 0.00 0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 31.68 1mfs s HIS 23 CO 0.00 -0.38 0.17 0.96 -2.00 0.00 0.00 174.74 173.49 1mfs s ILE 24 N -2.33 2.45 0.39 -5.38 -4.36 -1.26 0.65 121.20 111.36 1mfs s ILE 24 Ca 0.20 -1.70 0.07 0.00 -0.26 0.00 0.00 60.65 58.95 1mfs s ILE 24 Cb 0.02 -2.98 0.22 0.00 1.25 0.00 0.00 42.46 40.97 1mfs s ILE 24 CO -0.01 -0.04 1.99 0.00 0.24 0.00 0.00 174.94 177.12 1mfs h ALA 25 N 1.45 1.59 0.00 2.27 0.00 -1.87 0.18 119.26 122.88 1mfs h ALA 25 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1mfs h ALA 25 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1mfs h ALA 25 CO 0.68 0.33 0.00 -0.22 0.00 0.00 0.00 179.25 180.04 1mfs h LYS 26 N 0.50 0.00 -0.40 0.00 1.63 -1.96 -0.80 116.57 115.55 1mfs h LYS 26 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1mfs h LYS 26 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1mfs h LYS 26 CO -0.01 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.08 1mfs n ASN 27 N -2.98 3.96 -4.59 4.20 4.13 0.54 -4.92 115.26 115.60 1mfs n ASN 27 Ca 0.00 -2.58 -0.42 0.00 1.68 0.00 0.00 54.58 53.27 1mfs n ASN 27 Cb 0.25 -0.47 -0.06 0.00 -1.54 0.00 0.00 39.78 37.96 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mfs n ARG 29 N 6.11 1.15 -3.79 0.00 1.85 -1.26 -4.38 116.66 116.33 1mfs n ARG 29 Ca 0.01 -0.22 -0.30 0.00 -1.00 0.00 0.00 57.85 56.34 1mfs n ARG 29 Cb 0.48 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.98 2.42 -0.06 2.89 0.00 -1.26 -4.98 121.76 118.80 1mfs s ALA 30 Ca 0.37 -2.68 -0.10 0.00 0.00 0.00 0.00 51.96 49.56 1mfs s ALA 30 Cb 0.18 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1mfs s ALA 30 CO 0.29 -2.00 0.39 -1.00 0.00 0.00 0.00 175.76 173.45 1mfs h PRO 31 N 6.84 -0.33 -5.73 0.00 0.13 -1.96 -3.45 132.00 127.50 1mfs h PRO 31 Ca -0.04 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 1mfs h PRO 31 Cb 0.93 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1mfs h PRO 31 CO 0.53 -0.22 -0.92 0.54 -0.23 0.00 0.00 178.00 177.70 1mfs n ARG 32 N -5.00 -2.17 -2.69 0.86 1.74 -1.26 -5.00 116.66 103.14 1mfs n ARG 32 Ca -0.04 1.90 -0.05 0.00 -0.77 0.00 0.00 57.85 58.88 1mfs n ARG 32 Cb 0.14 -3.78 0.06 0.00 -1.02 0.00 0.00 32.46 27.85 1mfs n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1mfs n LYS 33 N 0.45 0.31 -0.60 5.56 4.81 -1.26 -5.16 118.16 122.27 1mfs n LYS 33 Ca 0.01 -1.05 -0.31 0.00 -0.87 0.00 0.00 58.31 56.09 1mfs n LYS 33 Cb 0.36 -0.55 0.20 0.00 0.02 0.00 0.00 35.03 35.05 1mfs n LYS 33 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1mfs n LYS 34 N 1.84 -2.02 0.00 1.64 2.85 -1.26 -4.90 118.16 116.30 1mfs n LYS 34 Ca 0.06 -0.58 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 1mfs n LYS 34 Cb 0.67 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mfs n GLY 35 N 1.87 0.08 3.63 2.58 0.00 -1.26 -4.77 105.19 107.31 1mfs n GLY 35 Ca 0.02 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 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 7.08 0.82 -0.11 0.00 -0.00 -1.26 -0.05 117.44 123.92 1mfs n TRP 37 Ca 0.11 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.50 57.10 1mfs n TRP 37 Cb 0.48 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.56 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 0.56 0.49 -0.03 5.87 4.81 -1.26 -4.68 118.16 123.92 1mfs n LYS 38 Ca 0.15 0.15 0.01 0.00 -0.87 0.00 0.00 58.31 57.74 1mfs n LYS 38 Cb 0.53 -1.36 -0.10 0.00 0.02 0.00 0.00 35.03 34.13 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mfs n GLY 40 N 2.00 0.18 3.59 0.00 0.00 0.93 -5.01 105.19 106.86 1mfs n GLY 40 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.94 2.86 -1.11 1.61 2.47 -1.20 -4.66 119.74 118.78 1mfs s LYS 41 Ca 0.00 1.75 -0.21 0.00 -1.56 0.00 0.00 55.97 55.95 1mfs s LYS 41 Cb 0.00 -4.41 0.05 0.00 -1.46 0.00 0.00 37.83 32.01 1mfs s LYS 41 CO 0.00 -2.41 1.56 -1.83 0.16 0.00 0.00 175.35 172.83 1mfs s GLU 42 N 6.81 3.67 0.00 4.03 1.03 -1.26 -0.79 118.70 132.19 1mfs s GLU 42 Ca 0.96 -1.37 0.00 0.00 0.03 0.00 0.00 54.97 54.59 1mfs s GLU 42 Cb -0.27 -5.41 0.00 0.00 -0.80 0.00 0.00 34.13 27.65 1mfs s GLU 42 CO 0.32 -2.28 0.00 0.41 -1.33 0.00 0.00 175.26 172.38 1mfs n GLY 43 N 6.41 -1.36 3.92 -3.83 0.00 -1.26 -4.95 105.19 104.12 1mfs n GLY 43 Ca 0.38 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.56 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 3.52 0.43 1.61 -3.43 -1.25 -4.88 115.29 111.30 1mfs s HIS 44 Ca 0.00 0.65 0.08 0.00 -0.80 0.00 0.00 55.06 54.99 1mfs s HIS 44 Cb 0.00 -2.15 0.00 0.00 -1.43 0.00 0.00 32.58 29.00 1mfs s HIS 44 CO 0.00 -0.07 0.50 -0.65 -2.00 0.00 0.00 174.74 172.52 1mfs s GLN 45 N -4.35 2.64 0.25 -0.38 -0.21 -1.26 -1.51 119.66 114.84 1mfs s GLN 45 Ca 0.45 -1.42 -0.05 0.00 0.02 0.00 0.00 55.36 54.35 1mfs s GLN 45 Cb -0.10 -2.56 0.32 0.00 1.00 0.00 0.00 33.01 31.66 1mfs s GLN 45 CO 0.39 -0.29 1.88 0.00 -2.12 0.00 0.00 175.29 175.15 1mfs h MET 46 N 0.78 1.08 0.00 2.91 -0.00 -1.97 1.29 114.93 119.02 1mfs h MET 46 Ca -0.40 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 1mfs h MET 46 Cb 1.28 -0.24 0.00 0.00 -0.00 0.00 0.00 31.60 32.63 1mfs h MET 46 CO 0.50 0.72 0.00 -0.22 -0.00 0.00 0.00 176.91 177.91 1mfs h LYS 47 N 1.12 0.00 -0.15 -0.10 3.11 -2.01 -1.18 116.57 117.35 1mfs h LYS 47 Ca 0.38 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1mfs h LYS 47 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1mfs h LYS 47 CO -0.14 0.00 0.00 -3.47 -2.81 0.00 0.00 179.45 173.03 1mfs n ASP 48 N -3.08 2.80 0.00 4.20 -0.08 0.62 -4.87 116.55 116.13 1mfs n ASP 48 Ca -0.01 -2.55 0.00 0.00 -1.51 0.00 0.00 54.79 50.72 1mfs n ASP 48 Cb 0.23 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mfs n THR 50 N 0.00 0.00 -3.12 0.00 -1.04 -1.26 -4.89 114.28 103.97 1mfs n THR 50 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1mfs n THR 50 Cb 0.00 -0.30 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 1mfs n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1mfs n GLU 51 N -1.72 3.30 0.09 -2.82 -0.58 -1.26 -4.83 120.64 112.82 1mfs n GLU 51 Ca 0.00 -4.73 0.01 0.00 -0.42 0.00 0.00 57.16 52.02 1mfs n GLU 51 Cb 0.09 -2.30 0.35 0.00 -0.57 0.00 0.00 31.44 29.01 1mfs n GLU 51 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1mfs h ARG 52 N 3.89 0.30 0.00 3.49 0.11 -1.96 -3.45 114.38 116.78 1mfs h ARG 52 Ca 0.21 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1mfs h ARG 52 Cb 0.56 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1mfs h ARG 52 CO 0.92 0.44 0.00 0.94 0.10 0.00 0.00 179.97 182.37 1mfs n GLN 53 N -4.25 0.00 0.00 0.08 -0.06 -1.26 -4.74 117.38 107.15 1mfs n GLN 53 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1mfs n GLN 53 Cb 0.28 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.46 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mfs n ALA 54 N 0.00 0.00 1.96 1.69 0.00 -1.26 -5.29 120.51 117.62 1mfs n ALA 54 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1mfs n ALA 54 Cb 0.00 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.37 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77