#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 5.75 -2.02 -3.47 115.11 118.54 1mfs h GLN 2 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1mfs h GLN 2 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1mfs h GLN 2 CO 0.00 0.07 0.00 1.63 -2.65 0.00 0.00 178.83 177.88 1mfs n LYS 3 N -4.61 0.00 -1.47 1.69 5.02 -1.26 -4.87 118.16 112.66 1mfs n LYS 3 Ca -0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1mfs n LYS 3 Cb 0.28 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.31 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mfs n GLY 4 N 0.00 -1.38 1.23 0.72 0.00 -1.26 -4.64 105.19 99.87 1mfs n GLY 4 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 0.84 -6.69 -4.54 1.61 2.85 -1.26 -4.86 115.26 103.21 1mfs n ASN 5 Ca 0.11 1.26 -0.30 0.00 -0.11 0.00 0.00 54.58 55.54 1mfs n ASN 5 Cb 0.43 -4.25 0.20 0.00 1.24 0.00 0.00 39.78 37.40 1mfs n ASN 5 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1mfs n PHE 6 N -3.98 -0.38 -2.25 1.20 1.16 -1.26 -4.81 117.46 107.15 1mfs n PHE 6 Ca -0.08 0.15 -0.33 0.00 -1.87 0.00 0.00 57.45 55.32 1mfs n PHE 6 Cb 0.58 -1.83 -0.04 0.00 -1.61 0.00 0.00 39.48 36.58 1mfs n PHE 6 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1mfs s ARG 7 N -4.34 2.98 0.00 3.97 3.52 -1.26 -4.73 118.95 119.10 1mfs s ARG 7 Ca 0.66 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1mfs s ARG 7 Cb -0.23 -5.25 0.00 0.00 -1.56 0.00 0.00 34.95 27.91 1mfs s ARG 7 CO 0.62 -3.13 0.00 -1.71 -0.81 0.00 0.00 175.30 170.27 1mfs n ASN 8 N 12.14 0.00 -4.19 -2.12 2.85 -1.26 -5.17 115.26 117.52 1mfs n ASN 8 Ca 0.42 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.60 1mfs n ASN 8 Cb 0.47 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.33 1mfs n ASN 8 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1mfs s GLN 9 N 0.00 2.20 0.00 1.20 1.11 -1.26 -4.89 119.66 118.02 1mfs s GLN 9 Ca 0.00 -0.74 0.00 0.00 0.01 0.00 0.00 55.36 54.63 1mfs s GLN 9 Cb 0.00 -1.85 0.00 0.00 -1.01 0.00 0.00 33.01 30.15 1mfs s GLN 9 CO 0.00 0.27 0.00 -2.13 0.01 0.00 0.00 175.29 173.44 1mfs n ARG 10 N 3.16 0.00 -0.08 2.91 0.63 -1.26 -4.97 116.66 117.04 1mfs n ARG 10 Ca -0.18 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.64 1mfs n ARG 10 Cb 0.52 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.35 1mfs n ARG 10 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1mfs n LYS 11 N -2.18 0.71 -0.68 -0.14 4.76 -1.26 -4.45 118.16 114.92 1mfs n LYS 11 Ca 0.00 0.08 0.52 0.00 -2.87 0.00 0.00 58.31 56.04 1mfs n LYS 11 Cb 0.00 -1.36 0.81 0.00 -1.84 0.00 0.00 35.03 32.65 1mfs n LYS 11 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1mfs h THR 12 N 0.00 0.01 -2.64 -0.18 1.35 -1.90 -0.65 112.91 108.91 1mfs h THR 12 Ca -0.39 -0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 64.90 1mfs h THR 12 Cb 1.66 0.01 0.20 0.00 -1.73 0.00 0.00 68.15 68.30 1mfs h THR 12 CO -0.04 0.00 -0.97 1.33 -0.25 0.00 0.00 175.52 175.59 1mfs n VAL 13 N -4.02 0.72 -4.96 6.82 0.24 -1.26 -4.55 118.33 111.31 1mfs n VAL 13 Ca 0.44 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.34 61.99 1mfs n VAL 13 Cb 1.97 -0.36 -0.16 0.00 -1.47 0.00 0.00 33.84 33.81 1mfs n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mfs s LYS 14 N -2.24 3.18 -0.46 7.34 -2.85 -1.21 -1.30 119.74 122.20 1mfs s LYS 14 Ca 0.56 -0.80 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 1mfs s LYS 14 Cb -0.33 -2.45 0.03 0.00 -2.06 0.00 0.00 37.83 33.01 1mfs s LYS 14 CO 0.67 0.16 1.19 0.00 0.10 0.00 0.00 175.35 177.47 1mfs n PHE 16 N 8.01 0.31 -0.13 0.00 7.35 -1.26 0.20 117.46 131.94 1mfs n PHE 16 Ca 0.13 -0.14 -0.19 0.00 -0.76 0.00 0.00 57.45 56.49 1mfs n PHE 16 Cb 0.49 -0.04 -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 0.09 2.03 -0.07 -2.13 2.85 -1.26 -4.73 115.26 112.05 1mfs n ASN 17 Ca 0.07 -0.07 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1mfs n ASN 17 Cb 0.22 -0.45 -0.06 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 2.79 1.84 3.34 0.00 0.00 0.13 -5.09 105.19 108.21 1mfs n GLY 19 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.62 2.54 0.27 1.61 1.02 -1.19 -4.88 119.74 118.51 1mfs s LYS 20 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 1mfs s LYS 20 Cb 0.00 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 34.97 1mfs s LYS 20 CO 0.00 0.46 0.88 -1.83 -0.92 0.00 0.00 175.35 173.94 1mfs s GLU 21 N -0.35 4.54 0.00 1.68 -1.05 -1.26 -1.27 118.70 120.99 1mfs s GLU 21 Ca 0.02 1.22 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 1mfs s GLU 21 Cb -0.12 -2.92 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 1mfs s GLU 21 CO 0.02 0.36 0.00 0.41 0.95 0.00 0.00 175.26 177.01 1mfs n GLY 22 N 0.81 0.69 3.82 -3.83 0.00 -0.25 -4.94 105.19 101.50 1mfs n GLY 22 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.13 -0.00 0.32 1.61 -3.43 -1.22 -4.59 115.29 106.84 1mfs s HIS 23 Ca 0.00 -0.39 0.08 0.00 -0.80 0.00 0.00 55.06 53.95 1mfs s HIS 23 Cb 0.00 0.69 -0.04 0.00 -1.43 0.00 0.00 32.58 31.80 1mfs s HIS 23 CO 0.00 -0.94 0.15 0.96 -2.00 0.00 0.00 174.74 172.91 1mfs s ILE 24 N -2.61 3.37 0.22 -5.38 -4.36 -1.26 -0.15 121.20 111.03 1mfs s ILE 24 Ca 0.18 -1.64 -0.08 0.00 -0.26 0.00 0.00 60.65 58.85 1mfs s ILE 24 Cb -0.02 -3.05 0.17 0.00 1.25 0.00 0.00 42.46 40.81 1mfs s ILE 24 CO 0.05 -0.24 1.83 0.00 0.24 0.00 0.00 174.94 176.83 1mfs h ALA 25 N 1.54 1.00 0.00 2.27 0.00 -1.87 0.42 119.26 122.62 1mfs h ALA 25 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mfs h ALA 25 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1mfs h ALA 25 CO 0.61 0.18 0.00 -0.22 0.00 0.00 0.00 179.25 179.82 1mfs h LYS 26 N 0.84 0.00 -0.25 0.00 3.64 -1.96 -0.13 116.57 118.71 1mfs h LYS 26 Ca 0.32 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1mfs h LYS 26 Cb 0.13 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1mfs h LYS 26 CO -0.16 0.00 -0.22 -1.71 -2.27 0.00 0.00 179.45 175.09 1mfs n ASN 27 N -2.86 2.24 -4.64 4.20 2.85 0.13 -4.99 115.26 112.20 1mfs n ASN 27 Ca -0.01 -3.84 -0.41 0.00 -0.11 0.00 0.00 54.58 50.21 1mfs n ASN 27 Cb 0.15 -0.60 -0.06 0.00 1.24 0.00 0.00 39.78 40.51 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n ARG 29 N 5.62 1.60 -3.53 0.00 0.63 -1.26 -5.02 116.66 114.70 1mfs n ARG 29 Ca 0.01 -1.52 -0.36 0.00 -0.92 0.00 0.00 57.85 55.05 1mfs n ARG 29 Cb 0.49 -1.36 0.03 0.00 0.45 0.00 0.00 32.46 32.07 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 0.91 -2.39 -1.81 5.13 0.00 -1.26 -4.85 120.51 116.24 1mfs n ALA 30 Ca 0.10 0.28 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 1mfs n ALA 30 Cb 0.46 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.81 4.65 0.84 0.00 0.04 -1.26 -4.99 135.00 131.47 1mfs s PRO 31 Ca 0.33 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 1mfs s PRO 31 Cb -0.04 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1mfs s PRO 31 CO 0.88 0.22 0.43 -2.13 0.04 0.00 0.00 177.00 176.43 1mfs n ARG 32 N 1.42 0.00 -3.79 4.56 0.63 -1.26 -5.00 116.66 113.23 1mfs n ARG 32 Ca -0.01 0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.77 1mfs n ARG 32 Cb 0.45 -1.82 -0.02 0.00 0.45 0.00 0.00 32.46 31.52 1mfs n ARG 32 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1mfs s LYS 33 N -3.17 3.14 -0.38 -0.14 2.47 -1.26 -4.74 119.74 115.66 1mfs s LYS 33 Ca 0.60 -0.98 -0.00 0.00 -1.56 0.00 0.00 55.97 54.03 1mfs s LYS 33 Cb -0.28 -2.75 0.00 0.00 -1.46 0.00 0.00 37.83 33.34 1mfs s LYS 33 CO 0.63 0.24 0.36 1.63 0.16 0.00 0.00 175.35 178.38 1mfs n LYS 34 N -1.45 -0.70 -2.97 4.03 5.02 -1.26 -4.83 118.16 116.00 1mfs n LYS 34 Ca -0.05 1.03 -0.34 0.00 -2.02 0.00 0.00 58.31 56.93 1mfs n LYS 34 Cb 0.58 -3.71 -0.06 0.00 -0.02 0.00 0.00 35.03 31.82 1mfs n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mfs s GLY 35 N -2.49 2.48 -0.10 0.72 0.00 -1.26 -4.45 107.32 102.23 1mfs s GLY 35 Ca 0.01 0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 1mfs s GLY 35 CO 0.39 0.56 2.04 0.00 0.00 0.00 0.00 173.10 176.09 1mfs n TRP 37 N 9.39 0.79 -0.11 0.00 8.01 -1.26 -0.07 117.44 134.19 1mfs n TRP 37 Ca 0.24 -0.32 -0.19 0.00 -1.31 0.00 0.00 57.50 55.92 1mfs n TRP 37 Cb 0.43 -0.14 -0.09 0.00 -2.01 0.00 0.00 31.31 29.50 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1mfs n LYS 38 N 0.55 0.52 -0.04 -0.99 0.00 -1.26 -4.68 118.16 112.26 1mfs n LYS 38 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 58.31 58.60 1mfs n LYS 38 Cb 0.52 -1.38 -0.10 0.00 0.00 0.00 0.00 35.03 34.07 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 2.08 0.48 3.58 0.00 0.00 0.89 -5.03 105.19 107.20 1mfs n GLY 40 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.98 3.01 -1.04 1.61 2.47 -1.15 -4.71 119.74 118.95 1mfs s LYS 41 Ca 0.00 1.23 -0.19 0.00 -1.56 0.00 0.00 55.97 55.45 1mfs s LYS 41 Cb 0.00 -4.30 -0.08 0.00 -1.46 0.00 0.00 37.83 32.00 1mfs s LYS 41 CO 0.00 -2.24 2.02 -0.85 0.16 0.00 0.00 175.35 174.44 1mfs n GLU 42 N 8.71 2.03 0.01 4.03 0.28 -1.26 0.21 120.64 134.64 1mfs n GLU 42 Ca 0.24 -2.18 0.00 0.00 -0.16 0.00 0.00 57.16 55.05 1mfs n GLU 42 Cb 0.49 -3.11 0.00 0.00 1.43 0.00 0.00 31.44 30.25 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 4.48 -1.97 3.90 -1.84 0.00 -1.26 -4.57 105.19 103.92 1mfs n GLY 43 Ca 0.50 0.58 -0.29 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.04 3.07 0.44 1.61 -3.43 -1.24 -4.72 115.29 109.97 1mfs s HIS 44 Ca 0.00 0.79 0.06 0.00 -0.80 0.00 0.00 55.06 55.11 1mfs s HIS 44 Cb 0.00 -3.29 -0.05 0.00 -1.43 0.00 0.00 32.58 27.81 1mfs s HIS 44 CO 0.00 -1.50 0.10 -0.65 -2.00 0.00 0.00 174.74 170.68 1mfs s GLN 45 N -5.44 2.12 0.18 -0.38 -0.21 -1.26 -0.59 119.66 114.08 1mfs s GLN 45 Ca 0.60 -2.05 -0.14 0.00 0.02 0.00 0.00 55.36 53.80 1mfs s GLN 45 Cb -0.11 -1.78 0.14 0.00 1.00 0.00 0.00 33.01 32.25 1mfs s GLN 45 CO 0.49 -0.16 1.76 0.00 -2.12 0.00 0.00 175.29 175.26 1mfs h MET 46 N 1.51 0.38 0.00 2.91 -0.00 -1.94 1.52 114.93 119.31 1mfs h MET 46 Ca -0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 1mfs h MET 46 Cb 1.26 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 1mfs h MET 46 CO 0.74 0.25 0.00 -0.22 -0.00 0.00 0.00 176.91 177.68 1mfs h LYS 47 N 0.39 0.00 -0.09 -0.10 3.11 -2.02 -1.05 116.57 116.81 1mfs h LYS 47 Ca 0.22 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.04 1mfs h LYS 47 Cb 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1mfs h LYS 47 CO -0.19 0.00 -0.11 -3.47 -2.81 0.00 0.00 179.45 172.86 1mfs n ASP 48 N -2.95 2.53 -4.58 4.20 2.03 0.69 -4.97 116.55 113.50 1mfs n ASP 48 Ca -0.01 -3.33 -0.43 0.00 0.52 0.00 0.00 54.79 51.55 1mfs n ASP 48 Cb 0.21 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 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 6.66 0.13 -4.47 0.00 5.66 -1.26 -4.83 114.28 116.17 1mfs n THR 50 Ca 0.09 -0.18 -0.23 0.00 -3.05 0.00 0.00 64.05 60.67 1mfs n THR 50 Cb 0.49 0.06 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 1mfs n THR 50 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1mfs s GLU 51 N -1.87 1.65 0.19 1.09 -1.05 -1.26 -5.01 118.70 112.43 1mfs s GLU 51 Ca 0.26 -1.79 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 1mfs s GLU 51 Cb 0.13 -1.59 0.00 0.00 -0.44 0.00 0.00 34.13 32.24 1mfs s GLU 51 CO 0.21 0.23 0.00 -2.13 0.95 0.00 0.00 175.26 174.51 1mfs n ARG 52 N -0.62 -5.72 -4.06 -4.83 0.00 -1.26 -5.05 116.66 95.12 1mfs n ARG 52 Ca -0.05 4.05 -0.13 0.00 -0.00 0.00 0.00 57.85 61.71 1mfs n ARG 52 Cb 0.61 -4.46 -0.12 0.00 0.00 0.00 0.00 32.46 28.50 1mfs n ARG 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1mfs s GLN 53 N -0.58 0.49 0.33 -0.14 0.74 -1.26 -5.04 119.66 114.20 1mfs s GLN 53 Ca 0.00 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1mfs s GLN 53 Cb 0.00 -0.25 0.00 0.00 1.10 0.00 0.00 33.01 33.86 1mfs s GLN 53 CO 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 175.29 174.78 1mfs n ALA 54 N 1.61 1.85 -0.36 1.58 0.00 -1.26 -5.31 120.51 118.62 1mfs n ALA 54 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1mfs n ALA 54 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1mfs n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79