#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 0.00 3.17 7.27 -1.25 -5.03 117.38 121.54 1mfs n GLN 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1mfs n GLN 2 Cb 0.00 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 30.92 1mfs n GLN 2 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1mfs n LYS 3 N -2.00 1.21 0.00 3.69 2.85 -1.24 -4.87 118.16 117.80 1mfs n LYS 3 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1mfs n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mfs n GLY 4 N 0.00 -1.66 2.51 2.58 0.00 -1.26 -3.85 105.19 103.51 1mfs n GLY 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1mfs n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mfs n ASN 5 N 0.00 6.54 0.00 1.61 0.23 -1.26 -4.72 115.26 117.65 1mfs n ASN 5 Ca 0.00 -2.55 0.00 0.00 -0.53 0.00 0.00 54.58 51.50 1mfs n ASN 5 Cb 0.00 -1.42 0.00 0.00 -2.08 0.00 0.00 39.78 36.28 1mfs n ASN 5 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1mfs n PHE 6 N 4.42 0.00 0.00 -2.53 -0.00 -1.25 -2.53 117.46 115.58 1mfs n PHE 6 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.08 1mfs n PHE 6 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.72 1mfs n PHE 6 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1mfs n ARG 7 N 0.00 0.00 -4.27 -4.13 1.85 -1.26 -2.29 116.66 106.56 1mfs n ARG 7 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 1mfs n ARG 7 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 1mfs n ARG 7 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1mfs s ASN 8 N 0.00 1.47 0.56 2.89 4.22 -1.05 -4.96 114.94 118.07 1mfs s ASN 8 Ca 0.00 -1.17 0.00 0.00 -2.14 0.00 0.00 52.86 49.55 1mfs s ASN 8 Cb 0.00 0.07 0.00 0.00 1.28 0.00 0.00 41.25 42.60 1mfs s ASN 8 CO 0.00 -0.52 0.00 1.67 -2.04 0.00 0.00 177.10 176.21 1mfs n GLN 9 N -0.29 -4.54 0.00 3.55 7.27 -1.26 -4.57 117.38 117.54 1mfs n GLN 9 Ca -0.06 3.43 0.00 0.00 0.07 0.00 0.00 57.00 60.43 1mfs n GLN 9 Cb 0.63 -4.00 0.00 0.00 2.41 0.00 0.00 30.24 29.28 1mfs n GLN 9 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1mfs n ARG 10 N -1.49 0.00 0.00 3.69 0.63 -1.26 -4.79 116.66 113.44 1mfs n ARG 10 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1mfs n ARG 10 Cb 0.17 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.08 1mfs n ARG 10 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1mfs n LYS 11 N 0.00 0.00 -1.62 -0.14 3.00 -1.26 -4.87 118.16 113.27 1mfs n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mfs n LYS 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1mfs n LYS 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1mfs n THR 12 N 0.00 -3.66 -3.97 3.15 -1.04 -1.26 -5.04 114.28 102.45 1mfs n THR 12 Ca 0.00 1.77 -0.09 0.00 -2.04 0.00 0.00 64.05 63.69 1mfs n THR 12 Cb 0.00 -2.74 -0.10 0.00 -1.82 0.00 0.00 70.33 65.67 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1mfs s VAL 13 N -4.92 0.15 0.01 12.58 -7.23 -1.26 -5.09 120.40 114.64 1mfs s VAL 13 Ca 0.00 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 1mfs s VAL 13 Cb 0.00 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 1mfs s VAL 13 CO 0.00 -0.70 -0.21 -1.59 -0.31 0.00 0.00 175.10 172.29 1mfs s LYS 14 N -2.92 1.56 -0.26 4.82 0.00 -1.20 -0.88 119.74 120.86 1mfs s LYS 14 Ca -0.02 -0.83 -0.29 0.00 0.00 0.00 0.00 55.97 54.82 1mfs s LYS 14 Cb 0.01 -1.59 -0.01 0.00 0.00 0.00 0.00 37.83 36.24 1mfs s LYS 14 CO -0.06 0.42 1.38 0.00 0.00 0.00 0.00 175.35 177.09 1mfs n PHE 16 N 7.70 0.48 -0.10 0.00 7.35 -1.26 0.22 117.46 131.85 1mfs n PHE 16 Ca 0.16 -0.21 -0.19 0.00 -0.76 0.00 0.00 57.45 56.45 1mfs n PHE 16 Cb 0.46 -0.07 -0.08 0.00 0.35 0.00 0.00 39.48 40.15 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 0.30 1.76 -0.08 -2.13 2.85 -1.26 -4.72 115.26 111.99 1mfs n ASN 17 Ca 0.10 0.14 -0.07 0.00 -0.11 0.00 0.00 54.58 54.63 1mfs n ASN 17 Cb 0.33 -0.49 -0.13 0.00 1.24 0.00 0.00 39.78 40.73 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n GLY 19 N 2.01 0.28 3.67 0.00 0.00 0.13 -5.04 105.19 106.24 1mfs n GLY 19 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1mfs n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 20 N -0.94 4.24 0.14 1.61 2.20 -1.23 -4.61 119.74 121.14 1mfs s LYS 20 Ca 0.00 1.91 -0.30 0.00 -0.36 0.00 0.00 55.97 57.22 1mfs s LYS 20 Cb 0.00 -3.77 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 1mfs s LYS 20 CO 0.00 -0.70 1.15 -1.83 -0.36 0.00 0.00 175.35 173.62 1mfs s GLU 21 N 3.27 4.52 0.00 4.03 -1.05 -1.26 -1.29 118.70 126.92 1mfs s GLU 21 Ca 0.63 1.77 0.00 0.00 -0.15 0.00 0.00 54.97 57.22 1mfs s GLU 21 Cb -0.28 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.12 1mfs s GLU 21 CO 0.23 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.78 1mfs n GLY 22 N 2.45 3.80 3.82 -3.83 0.00 -0.06 -4.90 105.19 106.48 1mfs n GLY 22 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 1.78 0.25 1.61 -3.43 -1.25 -4.57 115.29 109.68 1mfs s HIS 23 Ca 0.00 -0.90 0.07 0.00 -0.80 0.00 0.00 55.06 53.43 1mfs s HIS 23 Cb 0.00 -1.74 -0.04 0.00 -1.43 0.00 0.00 32.58 29.37 1mfs s HIS 23 CO 0.00 -0.06 0.15 0.96 -2.00 0.00 0.00 174.74 173.80 1mfs s ILE 24 N -2.83 4.27 0.20 -5.38 -4.36 -1.26 0.13 121.20 111.96 1mfs s ILE 24 Ca 0.18 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.00 1mfs s ILE 24 Cb 0.00 -3.29 0.13 0.00 1.25 0.00 0.00 42.46 40.56 1mfs s ILE 24 CO 0.11 -0.33 1.85 0.00 0.24 0.00 0.00 174.94 176.81 1mfs h ALA 25 N 1.66 0.89 0.00 2.27 0.00 -1.87 0.21 119.26 122.41 1mfs h ALA 25 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mfs h ALA 25 Cb 1.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1mfs h ALA 25 CO 0.61 0.23 -0.01 -0.22 0.00 0.00 0.00 179.25 179.85 1mfs h LYS 26 N 0.87 0.00 -0.44 0.00 3.11 -1.96 0.22 116.57 118.36 1mfs h LYS 26 Ca 0.27 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.81 1mfs h LYS 26 Cb -0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 32.23 31.01 1mfs h LYS 26 CO -0.09 0.01 -0.39 -1.71 -2.81 0.00 0.00 179.45 174.46 1mfs n ASN 27 N -3.33 3.51 -4.67 4.20 5.15 0.55 -5.01 115.26 115.66 1mfs n ASN 27 Ca -0.03 -3.81 -0.43 0.00 -0.60 0.00 0.00 54.58 49.71 1mfs n ASN 27 Cb 0.10 -0.53 -0.02 0.00 -0.53 0.00 0.00 39.78 38.80 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 5.84 1.42 -3.46 0.00 0.00 -1.26 -5.03 116.66 114.17 1mfs n ARG 29 Ca 0.11 -1.43 -0.35 0.00 -0.00 0.00 0.00 57.85 56.18 1mfs n ARG 29 Cb 0.46 -1.32 0.03 0.00 -0.00 0.00 0.00 32.46 31.64 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 0.83 -2.27 0.02 2.89 0.00 -1.26 -4.88 120.51 115.83 1mfs n ALA 30 Ca 0.10 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1mfs n ALA 30 Cb 0.42 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mfs h PRO 31 N 2.27 0.73 0.00 0.00 0.13 -2.01 -3.46 132.00 129.66 1mfs h PRO 31 Ca -0.50 -0.71 0.00 0.00 -0.87 0.00 0.00 66.00 63.92 1mfs h PRO 31 Cb 1.36 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.67 1mfs h PRO 31 CO 0.20 1.30 0.00 -2.13 -0.23 0.00 0.00 178.00 177.14 1mfs n ARG 32 N -3.90 0.00 -0.83 0.86 0.63 -1.26 -4.88 116.66 107.28 1mfs n ARG 32 Ca -0.10 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.48 1mfs n ARG 32 Cb 0.83 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.84 1mfs n ARG 32 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1mfs n LYS 33 N 0.00 -0.73 -0.83 -0.14 2.85 -1.26 -4.67 118.16 113.38 1mfs n LYS 33 Ca 0.00 -0.20 0.11 0.00 -1.05 0.00 0.00 58.31 57.17 1mfs n LYS 33 Cb 0.00 -1.41 -0.03 0.00 -0.65 0.00 0.00 35.03 32.94 1mfs n LYS 33 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1mfs n LYS 34 N 0.00 -1.65 0.00 -1.58 2.85 -1.26 -5.01 118.16 111.51 1mfs n LYS 34 Ca 0.00 1.10 0.00 0.00 -1.05 0.00 0.00 58.31 58.36 1mfs n LYS 34 Cb 0.65 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 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 -2.65 1.13 3.72 2.58 0.00 -1.23 -4.44 105.19 104.31 1mfs n GLY 35 Ca 0.00 0.40 -0.63 0.00 0.00 0.00 0.00 46.02 45.79 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 4.38 0.76 -0.10 0.00 -0.00 -1.26 0.20 117.44 121.41 1mfs n TRP 37 Ca 0.29 -0.31 -0.19 0.00 -0.00 0.00 0.00 57.50 57.28 1mfs n TRP 37 Cb 0.02 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.31 31.13 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 0.46 -0.03 5.87 3.00 -1.26 -4.70 118.16 122.05 1mfs n LYS 38 Ca 0.14 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1mfs n LYS 38 Cb 0.49 -1.30 -0.10 0.00 0.00 0.00 0.00 35.03 34.12 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 2.00 0.76 3.62 0.00 0.00 0.13 -5.03 105.19 106.68 1mfs n GLY 40 Ca -0.11 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.74 3.90 -0.89 1.61 2.36 -1.15 -4.59 119.74 120.25 1mfs s LYS 41 Ca 0.00 0.93 -0.07 0.00 -2.55 0.00 0.00 55.97 54.28 1mfs s LYS 41 Cb 0.00 -3.83 -0.11 0.00 -1.05 0.00 0.00 37.83 32.84 1mfs s LYS 41 CO 0.00 -1.13 2.63 -0.85 1.55 0.00 0.00 175.35 177.55 1mfs n GLU 42 N 7.33 2.47 0.00 4.03 0.28 -1.26 0.22 120.64 133.71 1mfs n GLU 42 Ca 0.13 -1.51 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 1mfs n GLU 42 Cb 0.48 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 30.94 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 3.36 -1.18 3.82 -1.84 0.00 -1.26 -4.71 105.19 103.39 1mfs n GLY 43 Ca 0.53 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.26 3.15 0.57 1.61 -3.43 -1.25 -4.80 115.29 110.87 1mfs s HIS 44 Ca 0.00 1.43 0.07 0.00 -0.80 0.00 0.00 55.06 55.76 1mfs s HIS 44 Cb 0.00 -2.89 0.07 0.00 -1.43 0.00 0.00 32.58 28.34 1mfs s HIS 44 CO 0.00 -1.12 0.60 1.04 -2.00 0.00 0.00 174.74 173.27 1mfs n GLN 45 N -2.80 0.64 -0.12 -0.38 6.02 -1.26 -1.45 117.38 118.03 1mfs n GLN 45 Ca 0.08 -3.32 -0.05 0.00 -0.01 0.00 0.00 57.00 53.70 1mfs n GLN 45 Cb 0.53 0.08 0.03 0.00 1.02 0.00 0.00 30.24 31.90 1mfs n GLN 45 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1mfs h MET 46 N 0.00 0.21 0.00 -1.09 2.86 -1.96 0.95 114.93 115.90 1mfs h MET 46 Ca -0.31 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1mfs h MET 46 Cb 1.27 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1mfs h MET 46 CO 0.47 0.14 0.00 -0.22 1.06 0.00 0.00 176.91 178.36 1mfs h LYS 47 N 0.22 0.00 -0.01 1.72 3.64 -2.04 0.23 116.57 120.33 1mfs h LYS 47 Ca 0.19 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1mfs h LYS 47 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1mfs h LYS 47 CO -0.24 0.00 -0.38 -3.47 -2.27 0.00 0.00 179.45 173.09 1mfs n ASP 48 N -2.91 1.87 -4.57 4.20 -0.08 0.10 -4.98 116.55 110.18 1mfs n ASP 48 Ca -0.02 -3.72 -0.41 0.00 -1.51 0.00 0.00 54.79 49.13 1mfs n ASP 48 Cb 0.12 -0.51 -0.03 0.00 2.34 0.00 0.00 41.12 43.05 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 6.66 0.52 -3.56 0.00 5.66 -1.26 -4.45 114.28 117.85 1mfs n THR 50 Ca 0.08 -0.37 -0.29 0.00 -3.05 0.00 0.00 64.05 60.42 1mfs n THR 50 Cb 0.49 -0.03 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 1mfs n THR 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1mfs s GLU 51 N -1.64 0.90 0.12 1.09 2.02 -1.26 -4.87 118.70 115.06 1mfs s GLU 51 Ca 0.17 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1mfs s GLU 51 Cb 0.10 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1mfs s GLU 51 CO 0.09 -1.21 0.00 -2.13 0.02 0.00 0.00 175.26 172.03 1mfs n ARG 52 N 3.68 0.00 -1.31 1.61 3.00 -1.26 -4.53 116.66 117.85 1mfs n ARG 52 Ca 0.13 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.13 1mfs n ARG 52 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.77 1mfs n ARG 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1mfs n GLN 53 N -2.84 -2.65 0.42 -0.14 3.00 -1.26 -4.54 117.38 109.37 1mfs n GLN 53 Ca 0.00 2.00 -0.17 0.00 -0.01 0.00 0.00 57.00 58.82 1mfs n GLN 53 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 30.24 26.91 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfs h ALA 54 N -1.35 -1.18 0.00 -1.58 0.00 -2.02 -3.55 119.26 109.58 1mfs h ALA 54 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mfs h ALA 54 Cb 1.31 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1mfs h ALA 54 CO 0.04 -1.10 0.00 0.27 0.00 0.00 0.00 179.25 178.46