#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 -2.83 2.12 6.02 -1.26 -4.65 117.38 116.78 1mfs n GLN 2 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1mfs n GLN 2 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 1mfs n GLN 2 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1mfs s LYS 3 N 0.00 2.46 0.19 -1.09 0.00 -1.26 -4.99 119.74 115.05 1mfs s LYS 3 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 54.82 1mfs s LYS 3 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 37.83 35.24 1mfs s LYS 3 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.35 175.06 1mfs n GLY 4 N -2.23 -0.85 0.06 0.59 0.00 -1.26 -5.00 105.19 96.49 1mfs n GLY 4 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1mfs n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfs n ASN 5 N -4.37 -0.07 -4.31 1.61 4.13 -1.26 -4.80 115.26 106.19 1mfs n ASN 5 Ca 0.00 0.28 -0.56 0.00 1.68 0.00 0.00 54.58 55.99 1mfs n ASN 5 Cb 0.29 0.33 -0.12 0.00 -1.54 0.00 0.00 39.78 38.75 1mfs n ASN 5 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1mfs n PHE 6 N -2.56 1.11 0.09 3.10 3.72 -1.26 -4.81 117.46 116.84 1mfs n PHE 6 Ca 0.00 0.65 -0.11 0.00 -0.05 0.00 0.00 57.45 57.94 1mfs n PHE 6 Cb 0.00 -2.33 -0.06 0.00 -0.94 0.00 0.00 39.48 36.14 1mfs n PHE 6 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1mfs h ARG 7 N 9.94 -0.49 -3.23 -1.08 2.43 -2.04 -3.48 114.38 116.43 1mfs h ARG 7 Ca -0.11 0.03 0.33 0.00 -0.81 0.00 0.00 59.98 59.42 1mfs h ARG 7 Cb 1.39 0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 30.88 1mfs h ARG 7 CO 1.13 -0.33 -1.11 0.09 -1.51 0.00 0.00 179.97 178.24 1mfs n ASN 8 N -4.41 -7.45 0.14 -3.80 3.02 -1.26 -5.02 115.26 96.48 1mfs n ASN 8 Ca -0.06 1.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 1mfs n ASN 8 Cb 0.27 -4.56 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1mfs n ASN 8 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1mfs n GLN 9 N -4.18 0.00 0.00 3.52 7.27 -1.26 -5.17 117.38 117.56 1mfs n GLN 9 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1mfs n GLN 9 Cb 0.64 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 1mfs n GLN 9 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1mfs n ARG 10 N -3.34 0.00 0.00 3.69 1.85 -1.26 -5.07 116.66 112.53 1mfs n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1mfs n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1mfs n ARG 10 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1mfs n LYS 11 N -0.00 0.00 0.00 2.89 2.85 -1.26 -5.16 118.16 117.48 1mfs n LYS 11 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1mfs n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1mfs n LYS 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1mfs n THR 12 N -1.02 0.00 -4.09 0.58 -2.24 -1.26 -4.87 114.28 101.38 1mfs n THR 12 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1mfs n THR 12 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mfs s VAL 13 N 0.00 0.44 0.03 2.28 -7.23 -1.26 -5.08 120.40 109.58 1mfs s VAL 13 Ca 0.00 -1.46 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 1mfs s VAL 13 Cb 0.00 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 1mfs s VAL 13 CO 0.00 -0.68 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.33 1mfs s LYS 14 N -2.72 1.34 -0.37 4.82 0.00 -1.15 -0.80 119.74 120.87 1mfs s LYS 14 Ca -0.01 -0.85 -0.29 0.00 0.00 0.00 0.00 55.97 54.82 1mfs s LYS 14 Cb -0.02 -1.40 0.02 0.00 0.00 0.00 0.00 37.83 36.43 1mfs s LYS 14 CO -0.04 0.36 1.16 0.00 0.00 0.00 0.00 175.35 176.84 1mfs n PHE 16 N 7.42 0.21 -0.11 0.00 -0.00 -1.26 0.22 117.46 123.93 1mfs n PHE 16 Ca 0.13 -0.11 -0.24 0.00 -0.00 0.00 0.00 57.45 57.23 1mfs n PHE 16 Cb 0.48 0.00 -0.11 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 0.03 1.97 -0.10 -2.13 2.85 -1.26 -4.67 115.26 111.94 1mfs n ASN 17 Ca 0.12 0.20 -0.14 0.00 -0.11 0.00 0.00 54.58 54.65 1mfs n ASN 17 Cb 0.21 -0.74 -0.10 0.00 1.24 0.00 0.00 39.78 40.39 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 2.41 0.70 3.71 0.00 0.00 0.13 -5.08 105.19 107.06 1mfs n GLY 19 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.56 4.49 0.06 1.61 2.20 -1.22 -4.71 119.74 121.62 1mfs s LYS 20 Ca 0.00 1.55 -0.28 0.00 -0.36 0.00 0.00 55.97 56.88 1mfs s LYS 20 Cb 0.00 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1mfs s LYS 20 CO 0.00 -0.17 0.90 -1.83 -0.36 0.00 0.00 175.35 173.89 1mfs s GLU 21 N 1.19 4.61 0.00 4.03 4.04 -1.26 -0.69 118.70 130.62 1mfs s GLU 21 Ca 0.54 1.31 0.00 0.00 0.04 0.00 0.00 54.97 56.87 1mfs s GLU 21 Cb -0.24 -3.39 0.00 0.00 0.02 0.00 0.00 34.13 30.52 1mfs s GLU 21 CO 0.27 0.18 0.00 0.41 -1.84 0.00 0.00 175.26 174.28 1mfs n GLY 22 N 2.45 3.79 2.69 -3.83 0.00 0.02 -4.91 105.19 105.39 1mfs n GLY 22 Ca 0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mfs n HIS 23 N 0.00 0.31 -4.33 1.61 1.44 -1.23 -4.67 115.22 108.35 1mfs n HIS 23 Ca 0.00 -2.03 -0.24 0.00 -2.01 0.00 0.00 57.72 53.43 1mfs n HIS 23 Cb 0.00 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 29.96 1mfs n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1mfs s ILE 24 N -2.67 2.73 0.27 0.61 -4.36 -1.26 0.18 121.20 116.70 1mfs s ILE 24 Ca 0.12 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1mfs s ILE 24 Cb 0.01 -2.78 0.27 0.00 1.25 0.00 0.00 42.46 41.21 1mfs s ILE 24 CO 0.09 -0.23 1.91 0.00 0.24 0.00 0.00 174.94 176.94 1mfs h ALA 25 N 1.83 1.38 0.00 2.27 0.00 -1.88 0.43 119.26 123.30 1mfs h ALA 25 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1mfs h ALA 25 Cb 1.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mfs h ALA 25 CO 0.65 0.50 0.00 -0.22 0.00 0.00 0.00 179.25 180.19 1mfs h LYS 26 N 1.21 0.00 -0.27 0.00 3.64 -1.96 0.04 116.57 119.23 1mfs h LYS 26 Ca 0.40 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1mfs h LYS 26 Cb 0.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1mfs h LYS 26 CO -0.14 0.00 -0.01 -1.71 -2.27 0.00 0.00 179.45 175.32 1mfs n ASN 27 N -2.88 3.44 -4.59 4.20 5.15 0.13 -4.96 115.26 115.76 1mfs n ASN 27 Ca -0.01 -3.20 -0.43 0.00 -0.60 0.00 0.00 54.58 50.34 1mfs n ASN 27 Cb 0.18 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.84 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 7.21 0.88 -1.47 0.00 0.63 -1.26 -4.84 116.66 117.81 1mfs n ARG 29 Ca 0.09 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.62 1mfs n ARG 29 Cb 0.48 -1.49 -0.15 0.00 0.45 0.00 0.00 32.46 31.76 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1mfs n ALA 30 N -0.99 0.29 0.13 5.13 0.00 -1.26 -4.71 120.51 119.10 1mfs n ALA 30 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1mfs n ALA 30 Cb 0.09 -2.22 0.12 0.00 0.00 0.00 0.00 19.45 17.45 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 11.73 0.00 -7.14 0.00 0.13 -2.04 -3.46 132.00 131.22 1mfs h PRO 31 Ca -0.05 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.65 1mfs h PRO 31 Cb 1.28 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.62 1mfs h PRO 31 CO 1.36 0.64 -0.00 -0.98 -0.23 0.00 0.00 178.00 178.79 1mfs s ARG 32 N -3.32 -1.23 -0.59 0.86 1.70 -1.26 -4.31 118.95 110.79 1mfs s ARG 32 Ca 0.00 0.68 -0.13 0.00 -0.47 0.00 0.00 55.73 55.81 1mfs s ARG 32 Cb 0.11 -1.53 0.02 0.00 -0.57 0.00 0.00 34.95 32.98 1mfs s ARG 32 CO 0.76 -3.89 0.64 1.63 -1.08 0.00 0.00 175.30 173.36 1mfs n LYS 33 N -5.01 -1.84 -1.66 3.89 4.76 -1.26 -4.86 118.16 112.18 1mfs n LYS 33 Ca 0.04 1.57 -0.40 0.00 -2.87 0.00 0.00 58.31 56.65 1mfs n LYS 33 Cb 0.55 -4.40 0.03 0.00 -1.84 0.00 0.00 35.03 29.37 1mfs n LYS 33 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1mfs n LYS 34 N -1.11 1.48 0.00 1.97 0.00 -1.26 -4.94 118.16 114.29 1mfs n LYS 34 Ca -0.03 0.54 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1mfs n LYS 34 Cb 0.56 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.32 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 35 N 1.02 3.45 3.54 2.58 0.00 -1.26 -4.46 105.19 110.06 1mfs n GLY 35 Ca 0.10 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 5.47 0.81 -0.10 0.00 -0.00 -1.26 -0.05 117.44 122.31 1mfs n TRP 37 Ca -0.08 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.50 56.91 1mfs n TRP 37 Cb 0.49 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.57 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 0.49 -0.04 5.87 3.00 -1.26 -4.69 118.16 122.08 1mfs n LYS 38 Ca 0.14 0.15 -0.02 0.00 -0.00 0.00 0.00 58.31 58.59 1mfs n LYS 38 Cb 0.53 -1.35 -0.10 0.00 0.00 0.00 0.00 35.03 34.11 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 2.10 0.34 3.65 0.00 0.00 0.93 -5.03 105.19 107.17 1mfs n GLY 40 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.91 4.01 -0.81 1.61 2.20 -1.21 -4.69 119.74 119.93 1mfs s LYS 41 Ca 0.00 1.94 -0.24 0.00 -0.36 0.00 0.00 55.97 57.31 1mfs s LYS 41 Cb 0.00 -4.00 0.06 0.00 -1.51 0.00 0.00 37.83 32.38 1mfs s LYS 41 CO 0.00 -1.04 1.22 -1.83 -0.36 0.00 0.00 175.35 173.34 1mfs s GLU 42 N 4.30 3.32 0.00 4.03 -1.05 -1.26 -1.03 118.70 127.01 1mfs s GLU 42 Ca 0.72 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.73 1mfs s GLU 42 Cb -0.29 -4.58 0.00 0.00 -0.44 0.00 0.00 34.13 28.82 1mfs s GLU 42 CO 0.28 -2.03 0.00 0.41 0.95 0.00 0.00 175.26 174.88 1mfs n GLY 43 N 5.75 -1.54 3.91 -3.83 0.00 -1.26 -4.96 105.19 103.26 1mfs n GLY 43 Ca 0.11 0.56 -0.28 0.00 0.00 0.00 0.00 46.02 46.41 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 3.48 0.64 1.61 -3.43 -1.26 -4.91 115.29 111.43 1mfs s HIS 44 Ca 0.00 0.59 -0.01 0.00 -0.80 0.00 0.00 55.06 54.84 1mfs s HIS 44 Cb 0.00 -2.07 0.07 0.00 -1.43 0.00 0.00 32.58 29.15 1mfs s HIS 44 CO 0.00 0.15 0.89 -0.65 -2.00 0.00 0.00 174.74 173.14 1mfs s GLN 45 N -3.71 2.17 0.31 -0.38 -1.52 -1.26 -1.86 119.66 113.41 1mfs s GLN 45 Ca 0.43 -0.81 0.01 0.00 -1.95 0.00 0.00 55.36 53.04 1mfs s GLN 45 Cb -0.11 -2.38 0.54 0.00 -0.22 0.00 0.00 33.01 30.85 1mfs s GLN 45 CO 0.31 -1.07 1.94 0.00 -0.25 0.00 0.00 175.29 176.23 1mfs h MET 46 N -0.26 0.98 0.00 2.91 -0.00 -1.96 0.24 114.93 116.84 1mfs h MET 46 Ca -0.40 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.70 59.22 1mfs h MET 46 Cb 1.29 -0.22 -0.00 0.00 -0.00 0.00 0.00 31.60 32.67 1mfs h MET 46 CO 0.49 0.65 -0.10 -0.22 -0.00 0.00 0.00 176.91 177.73 1mfs h LYS 47 N 1.01 0.00 -0.35 -0.10 3.11 -1.98 -0.99 116.57 117.27 1mfs h LYS 47 Ca 0.34 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1mfs h LYS 47 Cb 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1mfs h LYS 47 CO -0.11 0.10 0.00 -3.47 -2.81 0.00 0.00 179.45 173.16 1mfs n ASP 48 N -3.38 4.08 -4.60 4.20 -0.08 0.56 -4.94 116.55 112.38 1mfs n ASP 48 Ca -0.01 -2.81 -0.43 0.00 -1.51 0.00 0.00 54.79 50.03 1mfs n ASP 48 Cb 0.28 -0.52 -0.02 0.00 2.34 0.00 0.00 41.12 43.19 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 7.12 0.00 0.00 0.00 -2.24 -1.26 -4.89 114.28 113.01 1mfs n THR 50 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1mfs n THR 50 Cb 0.48 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1mfs n THR 50 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1mfs n GLU 51 N -0.96 0.00 0.00 -0.78 2.13 -1.26 -4.74 120.64 115.02 1mfs n GLU 51 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1mfs n GLU 51 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1mfs n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1mfs n ARG 52 N 0.00 0.00 -2.15 5.31 3.00 -1.26 -4.78 116.66 116.78 1mfs n ARG 52 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 1mfs n ARG 52 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1mfs n ARG 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1mfs s GLN 53 N 0.00 2.76 0.44 -0.14 -0.21 -1.26 -3.93 119.66 117.32 1mfs s GLN 53 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1mfs s GLN 53 Cb 0.00 -5.13 0.00 0.00 1.00 0.00 0.00 33.01 28.88 1mfs s GLN 53 CO 0.00 -3.15 0.00 0.00 -2.12 0.00 0.00 175.29 170.02 1mfs n ALA 54 N 12.96 0.03 0.00 6.09 0.00 -1.26 -5.22 120.51 133.11 1mfs n ALA 54 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1mfs n ALA 54 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77