#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 0.00 0.00 3.17 3.07 -2.06 -3.44 115.11 115.85 1mfs h GLN 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1mfs h GLN 2 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1mfs h GLN 2 CO 0.00 0.15 0.00 1.17 0.09 0.00 0.00 178.83 180.24 1mfs n LYS 3 N -3.85 0.00 0.00 0.06 0.00 -1.26 -5.11 118.16 108.00 1mfs n LYS 3 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 1mfs n LYS 3 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.28 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 4 N -1.46 -0.82 4.85 3.14 0.00 -1.26 -5.03 105.19 104.61 1mfs n GLY 4 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1mfs n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfs n ASN 5 N -0.24 0.00 -4.42 1.61 5.15 -1.26 -4.78 115.26 111.31 1mfs n ASN 5 Ca 0.00 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.53 1mfs n ASN 5 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1mfs n ASN 5 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1mfs s PHE 6 N 0.00 3.44 -0.84 1.20 5.36 -1.26 -4.95 117.98 120.93 1mfs s PHE 6 Ca 0.00 -1.81 -0.09 0.00 -0.96 0.00 0.00 56.93 54.06 1mfs s PHE 6 Cb 0.00 -4.17 0.22 0.00 -0.34 0.00 0.00 43.02 38.73 1mfs s PHE 6 CO 0.00 -1.33 0.76 1.03 -1.46 0.00 0.00 175.22 174.22 1mfs s ARG 7 N 1.59 3.45 -0.30 10.12 3.00 -1.26 -4.66 118.95 130.89 1mfs s ARG 7 Ca 0.33 -2.69 -0.11 0.00 0.00 0.00 0.00 55.73 53.26 1mfs s ARG 7 Cb -0.06 -4.25 0.18 0.00 0.00 0.00 0.00 34.95 30.83 1mfs s ARG 7 CO -0.07 -1.25 1.00 0.54 0.00 0.00 0.00 175.30 175.52 1mfs s ASN 8 N 1.45 -0.55 -0.10 0.23 4.22 -1.26 -5.08 114.94 113.85 1mfs s ASN 8 Ca 0.21 0.19 -0.07 0.00 -2.14 0.00 0.00 52.86 51.05 1mfs s ASN 8 Cb -0.12 1.40 0.03 0.00 1.28 0.00 0.00 41.25 43.84 1mfs s ASN 8 CO -0.08 -0.10 0.14 0.00 -2.04 0.00 0.00 177.10 175.02 1mfs n GLN 9 N 5.31 -3.55 -1.56 3.55 6.02 -1.26 -4.84 117.38 121.06 1mfs n GLN 9 Ca 0.01 2.72 0.00 0.00 -0.01 0.00 0.00 57.00 59.72 1mfs n GLN 9 Cb 0.55 -3.63 0.00 0.00 1.02 0.00 0.00 30.24 28.18 1mfs n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mfs n ARG 10 N 1.98 -4.37 0.46 -1.09 1.74 -1.26 -4.84 116.66 109.29 1mfs n ARG 10 Ca -0.24 3.16 -0.19 0.00 -0.77 0.00 0.00 57.85 59.81 1mfs n ARG 10 Cb 0.37 -3.49 -0.09 0.00 -1.02 0.00 0.00 32.46 28.24 1mfs n ARG 10 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1mfs h LYS 11 N 2.46 -1.15 -5.09 5.56 1.57 -1.88 -3.46 116.57 114.58 1mfs h LYS 11 Ca 0.00 0.08 -0.37 0.00 -1.87 0.00 0.00 60.65 58.48 1mfs h LYS 11 Cb 0.00 0.26 -0.14 0.00 0.08 0.00 0.00 32.23 32.43 1mfs h LYS 11 CO 0.00 -0.77 -0.66 0.95 -0.57 0.00 0.00 179.45 178.40 1mfs s THR 12 N -5.66 1.05 0.05 -0.16 -4.23 -1.26 -4.79 115.64 100.64 1mfs s THR 12 Ca -0.18 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1mfs s THR 12 Cb 0.02 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1mfs s THR 12 CO 0.54 -0.37 -0.04 0.68 -0.54 0.00 0.00 174.62 174.89 1mfs s VAL 13 N -3.41 0.32 -0.08 2.29 -7.23 -1.26 -5.03 120.40 106.01 1mfs s VAL 13 Ca 0.27 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1mfs s VAL 13 Cb 0.05 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1mfs s VAL 13 CO 0.08 -0.70 -0.12 -1.59 -0.31 0.00 0.00 175.10 172.45 1mfs s LYS 14 N -2.68 1.77 -0.44 4.82 -2.85 -1.23 -1.17 119.74 117.96 1mfs s LYS 14 Ca -0.03 -0.42 -0.25 0.00 -1.00 0.00 0.00 55.97 54.27 1mfs s LYS 14 Cb -0.02 -1.50 0.02 0.00 -2.06 0.00 0.00 37.83 34.28 1mfs s LYS 14 CO -0.04 -0.01 0.91 0.00 0.10 0.00 0.00 175.35 176.31 1mfs n PHE 16 N 7.06 0.32 -0.13 0.00 7.35 -1.26 0.22 117.46 131.02 1mfs n PHE 16 Ca 0.06 -0.15 -0.24 0.00 -0.76 0.00 0.00 57.45 56.36 1mfs n PHE 16 Cb 0.48 -0.03 -0.11 0.00 0.35 0.00 0.00 39.48 40.17 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mfs n ASN 17 N 0.11 1.97 -0.08 -2.13 5.15 -1.26 -4.71 115.26 114.31 1mfs n ASN 17 Ca 0.07 0.12 -0.10 0.00 -0.60 0.00 0.00 54.58 54.07 1mfs n ASN 17 Cb 0.23 -0.64 -0.09 0.00 -0.53 0.00 0.00 39.78 38.75 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 2.54 1.56 3.44 0.00 0.00 0.13 -5.08 105.19 107.78 1mfs n GLY 19 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.43 2.50 0.56 1.61 1.02 -1.17 -4.85 119.74 118.98 1mfs s LYS 20 Ca 0.00 -0.74 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 1mfs s LYS 20 Cb 0.00 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 1mfs s LYS 20 CO 0.00 0.58 0.98 -1.83 -0.92 0.00 0.00 175.35 174.16 1mfs s GLU 21 N -0.62 3.73 0.00 1.68 -1.05 -1.26 -0.74 118.70 120.43 1mfs s GLU 21 Ca 0.09 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.67 1mfs s GLU 21 Cb -0.11 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 1mfs s GLU 21 CO 0.01 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.23 1mfs n GLY 22 N -2.20 0.89 3.60 -3.83 0.00 -0.31 -4.88 105.19 98.46 1mfs n GLY 22 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.11 0.37 1.61 -3.43 -1.25 -4.94 115.29 105.54 1mfs s HIS 23 Ca 0.00 0.06 0.07 0.00 -0.80 0.00 0.00 55.06 54.39 1mfs s HIS 23 Cb 0.00 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1mfs s HIS 23 CO 0.00 -0.21 0.49 0.96 -2.00 0.00 0.00 174.74 173.98 1mfs s ILE 24 N -2.41 3.56 0.22 -5.38 -4.36 -1.26 0.56 121.20 112.13 1mfs s ILE 24 Ca 0.10 -1.04 -0.09 0.00 -0.26 0.00 0.00 60.65 59.36 1mfs s ILE 24 Cb -0.00 -3.22 0.19 0.00 1.25 0.00 0.00 42.46 40.67 1mfs s ILE 24 CO -0.04 -0.09 1.89 0.00 0.24 0.00 0.00 174.94 176.94 1mfs h ALA 25 N 0.83 1.05 0.00 2.27 0.00 -1.87 0.21 119.26 121.75 1mfs h ALA 25 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1mfs h ALA 25 Cb 1.27 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1mfs h ALA 25 CO 0.50 0.44 0.00 -0.22 0.00 0.00 0.00 179.25 179.97 1mfs h LYS 26 N 1.10 0.00 -0.30 0.00 3.64 -1.96 0.21 116.57 119.26 1mfs h LYS 26 Ca 0.31 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1mfs h LYS 26 Cb -0.11 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1mfs h LYS 26 CO -0.07 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.20 1mfs n ASN 27 N -2.85 3.55 -4.59 4.20 4.13 0.62 -4.95 115.26 115.37 1mfs n ASN 27 Ca -0.02 -3.22 -0.43 0.00 1.68 0.00 0.00 54.58 52.60 1mfs n ASN 27 Cb 0.11 -0.58 -0.04 0.00 -1.54 0.00 0.00 39.78 37.74 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 6.85 1.08 -1.47 0.00 0.00 -1.26 -4.86 116.66 117.01 1mfs n ARG 29 Ca 0.06 -0.13 -0.40 0.00 -0.00 0.00 0.00 57.85 57.39 1mfs n ARG 29 Cb 0.48 -1.34 -0.15 0.00 0.00 0.00 0.00 32.46 31.45 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mfs n ALA 30 N -0.70 0.29 -1.52 5.13 0.00 -1.26 -4.85 120.51 117.60 1mfs n ALA 30 Ca 0.16 -0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1mfs n ALA 30 Cb 0.10 -2.22 0.19 0.00 0.00 0.00 0.00 19.45 17.52 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mfs s PRO 31 N 8.78 0.17 -0.06 0.00 0.04 -1.26 -4.81 135.00 137.86 1mfs s PRO 31 Ca 1.33 -0.07 -0.05 0.00 0.04 0.00 0.00 61.00 62.24 1mfs s PRO 31 Cb -1.23 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1mfs s PRO 31 CO 0.48 -2.78 0.10 0.54 0.04 0.00 0.00 177.00 175.38 1mfs n ARG 32 N -4.10 -4.55 -1.58 4.56 1.74 -1.26 -4.72 116.66 106.74 1mfs n ARG 32 Ca 0.12 3.39 -0.52 0.00 -0.77 0.00 0.00 57.85 60.07 1mfs n ARG 32 Cb 0.59 -4.54 -0.07 0.00 -1.02 0.00 0.00 32.46 27.42 1mfs n ARG 32 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1mfs n LYS 33 N 1.63 1.37 -3.31 5.56 2.85 -1.26 -4.86 118.16 120.13 1mfs n LYS 33 Ca -0.17 0.45 -0.28 0.00 -1.05 0.00 0.00 58.31 57.26 1mfs n LYS 33 Cb 0.27 -2.41 -0.07 0.00 -0.65 0.00 0.00 35.03 32.17 1mfs n LYS 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1mfs n LYS 34 N 7.05 2.76 -2.37 -1.58 4.76 -1.26 -5.07 118.16 122.45 1mfs n LYS 34 Ca 0.33 -4.71 -0.39 0.00 -2.87 0.00 0.00 58.31 50.67 1mfs n LYS 34 Cb 0.22 -2.27 -0.03 0.00 -1.84 0.00 0.00 35.03 31.11 1mfs n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1mfs s GLY 35 N -2.62 2.92 -0.14 0.72 0.00 -1.26 -4.21 107.32 102.72 1mfs s GLY 35 Ca 0.41 0.93 -0.29 0.00 0.00 0.00 0.00 44.72 45.77 1mfs s GLY 35 CO -0.03 1.47 1.96 0.00 0.00 0.00 0.00 173.10 176.50 1mfs n TRP 37 N 9.46 0.80 -0.11 0.00 -0.00 -1.26 -0.09 117.44 126.24 1mfs n TRP 37 Ca 0.23 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.50 57.22 1mfs n TRP 37 Cb 0.44 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.52 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 4.81 -1.26 -4.68 118.16 123.92 1mfs n LYS 38 Ca 0.14 0.16 -0.02 0.00 -0.87 0.00 0.00 58.31 57.72 1mfs n LYS 38 Cb 0.52 -1.38 -0.10 0.00 0.02 0.00 0.00 35.03 34.09 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 2.11 0.85 3.54 0.00 0.00 0.87 -5.05 105.19 107.51 1mfs n GLY 40 Ca -0.14 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.57 3.44 -0.95 1.61 2.47 -1.10 -4.83 119.74 119.81 1mfs s LYS 41 Ca 0.00 -0.24 -0.24 0.00 -1.56 0.00 0.00 55.97 53.93 1mfs s LYS 41 Cb 0.00 -3.89 0.02 0.00 -1.46 0.00 0.00 37.83 32.51 1mfs s LYS 41 CO 0.00 -0.85 1.57 -1.83 0.16 0.00 0.00 175.35 174.40 1mfs s GLU 42 N 2.66 3.26 0.00 4.03 -1.05 -1.26 -0.28 118.70 126.07 1mfs s GLU 42 Ca 0.22 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 1mfs s GLU 42 Cb -0.15 -5.15 0.00 0.00 -0.44 0.00 0.00 34.13 28.39 1mfs s GLU 42 CO 0.16 -2.52 0.00 0.41 0.95 0.00 0.00 175.26 174.27 1mfs n GLY 43 N 6.71 -1.77 3.92 -3.83 0.00 -1.26 -4.93 105.19 104.02 1mfs n GLY 43 Ca 0.32 0.60 -0.26 0.00 0.00 0.00 0.00 46.02 46.69 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 3.41 0.48 1.61 -3.43 -1.25 -4.85 115.29 111.27 1mfs s HIS 44 Ca 0.00 0.58 0.09 0.00 -0.80 0.00 0.00 55.06 54.92 1mfs s HIS 44 Cb 0.00 -2.33 0.04 0.00 -1.43 0.00 0.00 32.58 28.86 1mfs s HIS 44 CO 0.00 -0.35 0.65 -0.65 -2.00 0.00 0.00 174.74 172.39 1mfs s GLN 45 N -4.69 2.61 0.24 -0.38 -0.21 -1.26 -1.74 119.66 114.23 1mfs s GLN 45 Ca 0.48 -1.42 -0.07 0.00 0.02 0.00 0.00 55.36 54.37 1mfs s GLN 45 Cb -0.10 -2.70 0.26 0.00 1.00 0.00 0.00 33.01 31.47 1mfs s GLN 45 CO 0.42 -0.51 1.89 0.52 -2.12 0.00 0.00 175.29 175.49 1mfs h MET 46 N 0.46 1.10 0.00 2.91 2.86 -1.89 0.58 114.93 120.95 1mfs h MET 46 Ca -0.36 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1mfs h MET 46 Cb 1.28 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1mfs h MET 46 CO 0.44 0.73 0.00 -0.22 1.06 0.00 0.00 176.91 178.91 1mfs h LYS 47 N 1.13 0.00 -0.14 1.72 3.11 -2.01 -1.03 116.57 119.35 1mfs h LYS 47 Ca 0.35 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1mfs h LYS 47 Cb -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 1mfs h LYS 47 CO -0.11 0.00 0.00 -0.25 -2.81 0.00 0.00 179.45 176.28 1mfs n ASP 48 N -2.90 3.12 -4.59 4.20 9.92 0.39 -4.98 116.55 121.70 1mfs n ASP 48 Ca -0.00 -2.97 -0.41 0.00 -0.53 0.00 0.00 54.79 50.87 1mfs n ASP 48 Cb 0.22 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 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 7.53 0.86 -0.01 0.00 5.66 -1.26 -2.89 114.28 124.17 1mfs n THR 50 Ca 0.26 0.22 -0.06 0.00 -3.05 0.00 0.00 64.05 61.41 1mfs n THR 50 Cb 0.48 -1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.22 1mfs n THR 50 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mfs h GLU 51 N 0.00 -0.10 -0.78 1.09 4.22 -1.96 0.07 114.58 117.11 1mfs h GLU 51 Ca 0.00 0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.60 1mfs h GLU 51 Cb 0.17 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.29 1mfs h GLU 51 CO 0.00 0.23 -0.22 -0.09 -2.18 0.00 0.00 179.01 176.76 1mfs h ARG 52 N -0.99 -0.01 -0.00 1.92 1.12 -1.90 0.68 114.38 115.19 1mfs h ARG 52 Ca -0.01 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.71 1mfs h ARG 52 Cb 0.38 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.32 1mfs h ARG 52 CO 0.02 -0.01 -0.73 -0.56 -3.11 0.00 0.00 179.97 175.58 1mfs h GLN 53 N -0.01 0.00 -5.88 0.20 3.07 -1.68 -3.48 115.11 107.32 1mfs h GLN 53 Ca 0.37 -0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.91 1mfs h GLN 53 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.15 1mfs h GLN 53 CO -0.81 0.73 -0.46 0.00 0.09 0.00 0.00 178.83 178.38 1mfs n ALA 54 N -2.40 -2.61 -0.04 0.06 0.00 0.24 -5.12 120.51 110.65 1mfs n ALA 54 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1mfs n ALA 54 Cb 0.71 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77