#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 -2.17 0.30 3.17 -0.06 -1.26 -4.89 117.38 112.47 1mfs n GLN 2 Ca 0.00 1.84 -0.19 0.00 -2.00 0.00 0.00 57.00 56.66 1mfs n GLN 2 Cb 0.00 -3.96 -0.10 0.00 -4.06 0.00 0.00 30.24 22.12 1mfs n GLN 2 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1mfs h LYS 3 N 2.30 -1.00 0.00 3.69 3.64 -2.07 -3.48 116.57 119.66 1mfs h LYS 3 Ca -0.20 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1mfs h LYS 3 Cb 1.03 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1mfs h LYS 3 CO 0.18 -0.66 0.00 0.41 -2.27 0.00 0.00 179.45 177.11 1mfs n GLY 4 N -1.57 1.63 0.79 5.01 0.00 -1.26 -5.09 105.19 104.70 1mfs n GLY 4 Ca -0.12 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -3.73 1.61 0.23 -1.26 -5.15 115.26 106.96 1mfs n ASN 5 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.84 1mfs n ASN 5 Cb 0.00 0.20 0.15 0.00 -2.08 0.00 0.00 39.78 38.04 1mfs n ASN 5 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1mfs n PHE 6 N -2.04 -2.15 -0.14 -2.53 3.72 -1.26 -4.72 117.46 108.34 1mfs n PHE 6 Ca 0.00 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1mfs n PHE 6 Cb 0.00 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 37.13 1mfs n PHE 6 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1mfs n ARG 7 N -1.64 0.00 -4.24 -1.08 0.00 -1.26 -4.84 116.66 103.60 1mfs n ARG 7 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.75 1mfs n ARG 7 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.77 1mfs n ARG 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1mfs s ASN 8 N -4.00 1.78 -0.33 2.89 4.22 -1.26 -5.13 114.94 113.12 1mfs s ASN 8 Ca 0.00 -0.99 -0.00 0.00 -2.14 0.00 0.00 52.86 49.73 1mfs s ASN 8 Cb 0.00 -0.01 0.14 0.00 1.28 0.00 0.00 41.25 42.65 1mfs s ASN 8 CO 0.00 -0.32 0.27 -1.10 -2.04 0.00 0.00 177.10 173.91 1mfs s GLN 9 N -3.65 0.43 0.00 3.55 -1.52 -1.26 -4.95 119.66 112.27 1mfs s GLN 9 Ca 0.16 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.89 1mfs s GLN 9 Cb 0.02 -0.91 0.00 0.00 -0.22 0.00 0.00 33.01 31.90 1mfs s GLN 9 CO 0.01 -1.11 0.00 -2.13 -0.25 0.00 0.00 175.29 171.80 1mfs n ARG 10 N 4.73 0.00 0.00 2.91 0.63 -1.26 -5.08 116.66 118.59 1mfs n ARG 10 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1mfs n ARG 10 Cb 0.43 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 33.31 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 -2.47 0.00 0.00 -0.14 3.00 -1.26 -5.11 118.16 112.17 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 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 -1.97 0.00 -4.06 3.15 -1.04 -1.26 -5.15 114.28 103.95 1mfs n THR 12 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1mfs n THR 12 Cb 0.00 -0.09 -0.10 0.00 -1.82 0.00 0.00 70.33 68.32 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 0.00 0.22 -0.07 12.58 -7.23 -1.26 -4.92 120.40 119.72 1mfs s VAL 13 Ca 0.00 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1mfs s VAL 13 Cb 0.00 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.83 1mfs s VAL 13 CO 0.00 -0.83 -0.06 -1.59 -0.31 0.00 0.00 175.10 172.31 1mfs s LYS 14 N -3.13 1.15 -0.12 4.82 -2.85 -1.25 -0.50 119.74 117.85 1mfs s LYS 14 Ca 0.00 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.51 1mfs s LYS 14 Cb 0.02 -1.18 -0.05 0.00 -2.06 0.00 0.00 37.83 34.56 1mfs s LYS 14 CO -0.07 -0.15 1.85 0.00 0.10 0.00 0.00 175.35 177.08 1mfs n PHE 16 N 8.64 0.53 -0.09 0.00 7.35 -1.26 0.20 117.46 132.83 1mfs n PHE 16 Ca 0.21 -0.21 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 1mfs n PHE 16 Cb 0.44 -0.13 -0.07 0.00 0.35 0.00 0.00 39.48 40.07 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 0.22 1.64 -0.07 -2.13 2.85 -1.26 -4.74 115.26 111.76 1mfs n ASN 17 Ca 0.09 0.14 -0.07 0.00 -0.11 0.00 0.00 54.58 54.63 1mfs n ASN 17 Cb 0.40 -0.46 -0.11 0.00 1.24 0.00 0.00 39.78 40.85 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 2.13 1.11 3.71 0.00 0.00 0.13 -5.07 105.19 107.20 1mfs n GLY 19 Ca -0.23 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.38 4.21 -0.26 1.61 1.02 -1.19 -4.81 119.74 118.95 1mfs s LYS 20 Ca 0.00 0.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 1mfs s LYS 20 Cb 0.00 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1mfs s LYS 20 CO 0.00 0.18 1.09 -1.83 -0.92 0.00 0.00 175.35 173.87 1mfs s GLU 21 N 0.66 4.18 0.00 1.68 -1.05 -1.26 -0.35 118.70 122.56 1mfs s GLU 21 Ca 0.14 1.29 0.00 0.00 -0.15 0.00 0.00 54.97 56.25 1mfs s GLU 21 Cb -0.13 -3.70 0.00 0.00 -0.44 0.00 0.00 34.13 29.86 1mfs s GLU 21 CO 0.04 -0.75 0.00 0.41 0.95 0.00 0.00 175.26 175.90 1mfs n GLY 22 N 3.58 2.33 3.72 -3.83 0.00 0.34 -4.96 105.19 106.37 1mfs n GLY 22 Ca 0.12 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 2.79 0.32 1.61 -3.43 -1.25 -4.59 115.29 110.74 1mfs s HIS 23 Ca 0.00 -0.25 -0.01 0.00 -0.80 0.00 0.00 55.06 54.00 1mfs s HIS 23 Cb 0.00 -1.40 -0.04 0.00 -1.43 0.00 0.00 32.58 29.71 1mfs s HIS 23 CO 0.00 0.49 0.54 0.96 -2.00 0.00 0.00 174.74 174.73 1mfs s ILE 24 N -2.32 5.10 0.24 -5.38 -4.36 -1.26 0.11 121.20 113.34 1mfs s ILE 24 Ca 0.34 -0.36 -0.06 0.00 -0.26 0.00 0.00 60.65 60.30 1mfs s ILE 24 Cb -0.05 -3.83 0.24 0.00 1.25 0.00 0.00 42.46 40.07 1mfs s ILE 24 CO 0.22 -0.49 1.91 0.00 0.24 0.00 0.00 174.94 176.82 1mfs h ALA 25 N 1.02 1.23 0.00 2.27 0.00 -1.87 0.27 119.26 122.17 1mfs h ALA 25 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1mfs h ALA 25 Cb 1.21 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1mfs h ALA 25 CO 0.63 0.57 0.00 -0.22 0.00 0.00 0.00 179.25 180.23 1mfs h LYS 26 N 1.26 0.00 -0.17 0.00 3.11 -1.96 -0.30 116.57 118.51 1mfs h LYS 26 Ca 0.36 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.11 1mfs h LYS 26 Cb -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.08 1mfs h LYS 26 CO -0.09 0.00 -0.29 -1.71 -2.81 0.00 0.00 179.45 174.54 1mfs n ASN 27 N -2.85 2.08 -4.59 4.20 5.15 0.79 -4.98 115.26 115.06 1mfs n ASN 27 Ca -0.01 -3.84 -0.42 0.00 -0.60 0.00 0.00 54.58 49.71 1mfs n ASN 27 Cb 0.15 -0.58 -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 8.34 2.51 -3.22 0.00 0.00 -1.26 -4.22 116.66 118.82 1mfs n ARG 29 Ca 0.11 -1.35 -0.24 0.00 -0.00 0.00 0.00 57.85 56.37 1mfs n ARG 29 Cb 0.49 -1.71 -0.06 0.00 -0.00 0.00 0.00 32.46 31.18 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 0.32 3.01 -1.72 2.89 0.00 -1.26 -5.11 120.51 118.65 1mfs n ALA 30 Ca 0.12 -3.89 -0.33 0.00 0.00 0.00 0.00 53.44 49.34 1mfs n ALA 30 Cb 0.58 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.00 3.50 0.00 0.00 0.04 -1.26 -4.01 135.00 131.27 1mfs s PRO 31 Ca 0.39 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1mfs s PRO 31 Cb 0.21 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1mfs s PRO 31 CO -0.08 -0.66 0.00 0.54 0.04 0.00 0.00 177.00 176.83 1mfs n ARG 32 N -1.73 0.00 -0.95 4.56 1.74 -1.26 -4.85 116.66 114.16 1mfs n ARG 32 Ca 0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 1mfs n ARG 32 Cb 0.53 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.92 1mfs n ARG 32 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mfs n LYS 33 N 0.00 -2.12 -1.46 5.56 5.02 -1.26 -4.76 118.16 119.15 1mfs n LYS 33 Ca 0.00 1.64 -0.41 0.00 -2.02 0.00 0.00 58.31 57.52 1mfs n LYS 33 Cb 0.00 -2.51 0.01 0.00 -0.02 0.00 0.00 35.03 32.51 1mfs n LYS 33 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1mfs n LYS 34 N -3.64 0.59 -0.77 1.97 3.00 -1.26 -4.87 118.16 113.17 1mfs n LYS 34 Ca -0.04 0.22 -0.29 0.00 -0.00 0.00 0.00 58.31 58.20 1mfs n LYS 34 Cb 0.45 -1.54 0.10 0.00 0.00 0.00 0.00 35.03 34.03 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 1.77 -2.52 3.63 3.14 0.00 -1.26 -4.70 105.19 105.25 1mfs n GLY 35 Ca 0.11 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 9.47 0.81 -0.11 0.00 -0.00 -1.26 -0.08 117.44 126.28 1mfs n TRP 37 Ca 0.24 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.50 57.22 1mfs n TRP 37 Cb 0.43 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.51 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 0.50 -0.04 5.87 3.00 -1.26 -4.68 118.16 122.11 1mfs n LYS 38 Ca 0.15 0.16 -0.01 0.00 -0.00 0.00 0.00 58.31 58.60 1mfs n LYS 38 Cb 0.53 -1.37 -0.10 0.00 0.00 0.00 0.00 35.03 34.09 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 2.05 0.81 3.66 0.00 0.00 0.89 -5.06 105.19 107.54 1mfs n GLY 40 Ca -0.13 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1mfs n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 41 N -0.67 4.09 -0.02 1.61 3.01 -1.12 -4.82 119.74 121.81 1mfs s LYS 41 Ca 0.00 -0.17 -0.27 0.00 -1.01 0.00 0.00 55.97 54.52 1mfs s LYS 41 Cb 0.00 -3.55 -0.04 0.00 -1.01 0.00 0.00 37.83 33.24 1mfs s LYS 41 CO 0.00 0.02 0.84 -1.83 0.51 0.00 0.00 175.35 174.90 1mfs s GLU 42 N 1.16 4.51 0.00 1.68 -1.05 -1.26 0.10 118.70 123.84 1mfs s GLU 42 Ca 0.10 1.17 0.00 0.00 -0.15 0.00 0.00 54.97 56.09 1mfs s GLU 42 Cb -0.14 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.11 1mfs s GLU 42 CO 0.06 0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.71 1mfs n GLY 43 N 2.93 4.19 3.71 -3.83 0.00 -1.26 -4.91 105.19 106.03 1mfs n GLY 43 Ca 0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mfs n HIS 44 N 0.00 -0.81 -4.52 1.61 1.44 -1.26 -4.98 115.22 106.70 1mfs n HIS 44 Ca 0.00 -2.24 -0.26 0.00 -2.01 0.00 0.00 57.72 53.21 1mfs n HIS 44 Cb 0.00 -0.45 -0.08 0.00 0.12 0.00 0.00 29.99 29.58 1mfs n HIS 44 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1mfs s GLN 45 N -4.24 1.92 0.14 -1.40 -2.07 -1.26 -2.12 119.66 110.63 1mfs s GLN 45 Ca 0.34 -2.16 -0.19 0.00 -1.82 0.00 0.00 55.36 51.52 1mfs s GLN 45 Cb -0.03 -0.69 0.01 0.00 -1.09 0.00 0.00 33.01 31.21 1mfs s GLN 45 CO 0.21 -0.44 1.69 1.98 -1.32 0.00 0.00 175.29 177.41 1mfs h MET 46 N 1.79 -0.00 0.00 9.60 1.85 -1.93 0.70 114.93 126.94 1mfs h MET 46 Ca -0.36 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 1mfs h MET 46 Cb 1.27 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.30 1mfs h MET 46 CO 0.59 -0.00 0.00 -0.22 -0.40 0.00 0.00 176.91 176.88 1mfs h LYS 47 N -0.00 0.00 -0.38 0.39 3.64 -1.97 -0.11 116.57 118.14 1mfs h LYS 47 Ca 0.13 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.22 1mfs h LYS 47 Cb 0.19 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.77 1mfs h LYS 47 CO -0.27 0.00 -0.72 -3.47 -2.27 0.00 0.00 179.45 172.72 1mfs n ASP 48 N -2.89 3.20 -4.58 4.20 -0.08 0.11 -5.01 116.55 111.49 1mfs n ASP 48 Ca -0.02 -3.62 -0.43 0.00 -1.51 0.00 0.00 54.79 49.21 1mfs n ASP 48 Cb 0.09 -0.42 -0.03 0.00 2.34 0.00 0.00 41.12 43.10 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 6.69 0.16 -1.08 0.00 -2.24 -1.26 -3.62 114.28 112.93 1mfs n THR 50 Ca 0.10 0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.75 1mfs n THR 50 Cb 0.49 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.13 1.96 -2.39 -0.78 2.13 -1.26 -4.73 120.64 114.43 1mfs n GLU 51 Ca 0.14 -1.46 0.00 0.00 0.66 0.00 0.00 57.16 56.49 1mfs n GLU 51 Cb 0.12 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.01 1mfs n GLU 51 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1mfs n ARG 52 N 1.31 -2.88 -1.61 5.31 1.74 -1.24 -4.17 116.66 115.12 1mfs n ARG 52 Ca 0.36 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1mfs n ARG 52 Cb 0.65 -4.28 -0.00 0.00 -1.02 0.00 0.00 32.46 27.81 1mfs n ARG 52 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1mfs n GLN 53 N -2.36 -4.21 -3.01 5.56 -0.06 -1.24 -4.90 117.38 107.16 1mfs n GLN 53 Ca 0.00 3.27 -0.01 0.00 -2.00 0.00 0.00 57.00 58.26 1mfs n GLN 53 Cb 0.47 -4.11 -0.00 0.00 -4.06 0.00 0.00 30.24 22.54 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 -2.69 -2.24 0.00 1.69 0.00 -1.26 -5.12 120.51 110.88 1mfs n ALA 54 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1mfs n ALA 54 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77