#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 -1.02 2.12 10.64 -1.26 -4.63 117.38 123.22 1mfs n GLN 2 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 1mfs n GLN 2 Cb 0.00 0.00 0.15 0.00 -0.86 0.00 0.00 30.24 29.53 1mfs n GLN 2 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1mfs s LYS 3 N 0.00 1.05 -0.92 2.61 1.02 -1.26 -4.84 119.74 117.39 1mfs s LYS 3 Ca 0.00 1.01 -0.25 0.00 0.02 0.00 0.00 55.97 56.76 1mfs s LYS 3 Cb 0.00 -1.77 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 1mfs s LYS 3 CO 0.00 -2.44 2.01 0.20 -0.92 0.00 0.00 175.35 174.20 1mfs s GLY 4 N -3.15 0.01 0.87 -3.33 0.00 -1.26 -4.94 107.32 95.52 1mfs s GLY 4 Ca 0.64 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.78 1mfs s GLY 4 CO 0.58 3.62 1.09 0.54 0.00 0.00 0.00 173.10 178.93 1mfs s ASN 5 N 8.29 3.63 0.02 1.64 2.20 -1.26 -4.88 114.94 124.57 1mfs s ASN 5 Ca 0.73 1.68 0.00 0.00 -0.94 0.00 0.00 52.86 54.33 1mfs s ASN 5 Cb -0.07 -2.34 0.00 0.00 -2.00 0.00 0.00 41.25 36.84 1mfs s ASN 5 CO 0.02 -2.57 0.00 0.33 -2.94 0.00 0.00 177.10 171.95 1mfs n PHE 6 N -3.85 -0.99 -1.43 1.54 7.35 -1.26 -5.13 117.46 113.68 1mfs n PHE 6 Ca 0.08 0.07 -0.53 0.00 -0.76 0.00 0.00 57.45 56.31 1mfs n PHE 6 Cb 0.54 0.33 -0.05 0.00 0.35 0.00 0.00 39.48 40.64 1mfs n PHE 6 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1mfs n ARG 7 N -2.31 0.00 0.00 -4.13 1.85 -1.26 -4.93 116.66 105.88 1mfs n ARG 7 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1mfs n ARG 7 Cb 0.00 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 1mfs n ARG 7 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mfs n ASN 8 N 1.72 0.00 -4.01 2.89 3.02 -1.26 -5.03 115.26 112.59 1mfs n ASN 8 Ca 0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1mfs n ASN 8 Cb 0.16 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 1mfs n ASN 8 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1mfs s GLN 9 N 0.00 1.32 0.00 3.52 2.00 -1.26 -5.04 119.66 120.20 1mfs s GLN 9 Ca 0.00 -1.28 0.00 0.00 -2.00 0.00 0.00 55.36 52.08 1mfs s GLN 9 Cb 0.00 0.40 0.00 0.00 0.80 0.00 0.00 33.01 34.21 1mfs s GLN 9 CO 0.00 -0.51 0.00 2.89 -0.50 0.00 0.00 175.29 177.17 1mfs n ARG 10 N -0.29 0.00 -3.64 1.67 1.85 -1.26 -4.20 116.66 110.79 1mfs n ARG 10 Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.72 1mfs n ARG 10 Cb 0.63 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.97 1mfs n ARG 10 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1mfs s LYS 11 N 0.00 0.64 -0.24 2.89 0.00 -1.26 -5.00 119.74 116.78 1mfs s LYS 11 Ca 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 55.97 56.80 1mfs s LYS 11 Cb 0.00 0.26 0.12 0.00 0.00 0.00 0.00 37.83 38.22 1mfs s LYS 11 CO 0.00 -0.09 0.33 0.99 0.00 0.00 0.00 175.35 176.58 1mfs s THR 12 N 0.67 -0.51 0.10 3.79 2.01 -1.26 -4.94 115.64 115.50 1mfs s THR 12 Ca -0.02 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1mfs s THR 12 Cb -0.05 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1mfs s THR 12 CO -0.07 -0.17 0.00 1.33 -0.69 0.00 0.00 174.62 175.02 1mfs n VAL 13 N 5.35 0.00 -4.07 3.82 0.24 -1.26 0.24 118.33 122.65 1mfs n VAL 13 Ca -0.04 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.09 1mfs n VAL 13 Cb 0.50 -0.15 -0.16 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.03 0.51 -0.42 7.34 -2.85 -1.13 -1.19 119.74 120.96 1mfs s LYS 14 Ca 0.00 -0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 54.65 1mfs s LYS 14 Cb 0.00 -0.57 0.02 0.00 -2.06 0.00 0.00 37.83 35.22 1mfs s LYS 14 CO 0.00 -0.05 0.97 0.00 0.10 0.00 0.00 175.35 176.37 1mfs n PHE 16 N 7.14 0.36 -0.13 0.00 3.01 -1.26 0.22 117.46 126.80 1mfs n PHE 16 Ca 0.08 -0.17 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1mfs n PHE 16 Cb 0.48 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.83 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1mfs n ASN 17 N 0.21 1.94 -0.08 4.37 5.15 -1.26 -4.70 115.26 120.89 1mfs n ASN 17 Ca 0.08 0.15 -0.09 0.00 -0.60 0.00 0.00 54.58 54.12 1mfs n ASN 17 Cb 0.24 -0.63 -0.10 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 2.31 0.49 3.73 0.00 0.00 0.13 -5.07 105.19 106.78 1mfs n GLY 19 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.74 4.63 0.26 1.61 2.20 -1.23 -4.66 119.74 121.81 1mfs s LYS 20 Ca 0.00 1.56 -0.19 0.00 -0.36 0.00 0.00 55.97 56.99 1mfs s LYS 20 Cb 0.00 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1mfs s LYS 20 CO 0.00 0.10 0.74 -1.83 -0.36 0.00 0.00 175.35 174.01 1mfs s GLU 21 N 0.06 4.19 0.00 4.03 -1.05 -1.26 -1.03 118.70 123.65 1mfs s GLU 21 Ca 0.49 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 56.15 1mfs s GLU 21 Cb -0.26 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 1mfs s GLU 21 CO 0.31 0.31 0.00 0.41 0.95 0.00 0.00 175.26 177.24 1mfs n GLY 22 N 0.35 1.07 3.65 -3.83 0.00 0.61 -4.77 105.19 102.27 1mfs n GLY 22 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.88 -0.13 0.35 1.61 -3.43 0.14 -4.62 115.29 107.33 1mfs s HIS 23 Ca 0.00 -0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.29 1mfs s HIS 23 Cb 0.00 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.71 1mfs s HIS 23 CO 0.00 -0.51 0.36 0.96 -2.00 0.00 0.00 174.74 173.55 1mfs s ILE 24 N -2.84 3.48 0.22 -5.38 -4.36 -1.26 0.18 121.20 111.24 1mfs s ILE 24 Ca 0.11 -1.26 -0.09 0.00 -0.26 0.00 0.00 60.65 59.15 1mfs s ILE 24 Cb 0.01 -3.19 0.16 0.00 1.25 0.00 0.00 42.46 40.69 1mfs s ILE 24 CO -0.02 -0.13 1.83 0.00 0.24 0.00 0.00 174.94 176.85 1mfs h ALA 25 N 1.10 0.96 0.00 2.27 0.00 -1.88 0.38 119.26 122.09 1mfs h ALA 25 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mfs h ALA 25 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1mfs h ALA 25 CO 0.56 0.16 0.00 -0.22 0.00 0.00 0.00 179.25 179.76 1mfs h LYS 26 N 0.81 0.00 -0.17 0.00 3.64 -1.96 0.19 116.57 119.09 1mfs h LYS 26 Ca 0.31 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1mfs h LYS 26 Cb 0.12 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 1mfs h LYS 26 CO -0.15 0.00 -0.40 -1.71 -2.27 0.00 0.00 179.45 174.92 1mfs n ASN 27 N -3.05 2.22 -4.68 4.20 5.15 0.12 -5.01 115.26 114.20 1mfs n ASN 27 Ca -0.03 -3.87 -0.42 0.00 -0.60 0.00 0.00 54.58 49.66 1mfs n ASN 27 Cb 0.07 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.75 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 5.19 0.92 -3.28 0.00 1.85 -1.26 -4.93 116.66 115.15 1mfs n ARG 29 Ca 0.08 -1.32 -0.12 0.00 -1.00 0.00 0.00 57.85 55.49 1mfs n ARG 29 Cb 0.48 -1.24 0.01 0.00 -1.05 0.00 0.00 32.46 30.66 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mfs n ALA 30 N 0.69 -2.13 -2.30 2.89 0.00 -1.26 -4.72 120.51 113.68 1mfs n ALA 30 Ca 0.08 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 1mfs n ALA 30 Cb 0.32 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.47 2.93 0.05 0.00 0.04 -1.26 -4.37 135.00 130.92 1mfs s PRO 31 Ca 0.12 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1mfs s PRO 31 Cb -0.01 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1mfs s PRO 31 CO 0.29 -2.47 0.00 -2.13 0.04 0.00 0.00 177.00 172.73 1mfs n ARG 32 N 9.24 0.00 -0.57 4.56 0.63 -1.26 -4.87 116.66 124.39 1mfs n ARG 32 Ca 0.14 0.00 0.46 0.00 -0.92 0.00 0.00 57.85 57.53 1mfs n ARG 32 Cb 0.50 0.00 0.75 0.00 0.45 0.00 0.00 32.46 34.16 1mfs n ARG 32 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1mfs h LYS 33 N 0.00 0.01 -0.95 -0.14 -0.00 -1.93 0.29 116.57 113.85 1mfs h LYS 33 Ca 0.00 -0.00 0.10 0.00 -0.00 0.00 0.00 60.65 60.75 1mfs h LYS 33 Cb 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 32.23 32.10 1mfs h LYS 33 CO 0.00 0.01 -0.55 0.87 -0.00 0.00 0.00 179.45 179.78 1mfs h LYS 34 N 0.01 -0.03 0.00 0.07 1.79 -1.91 -3.41 116.57 113.09 1mfs h LYS 34 Ca 0.90 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 59.06 1mfs h LYS 34 Cb 3.22 0.01 0.17 0.00 -1.58 0.00 0.00 32.23 34.05 1mfs h LYS 34 CO -0.25 -0.02 -0.07 0.41 -1.08 0.00 0.00 179.45 178.45 1mfs n GLY 35 N -1.30 -3.54 3.62 3.86 0.00 0.10 -4.56 105.19 103.37 1mfs n GLY 35 Ca 0.03 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 7.54 0.82 -0.10 0.00 -0.00 -1.26 -0.01 117.44 124.44 1mfs n TRP 37 Ca 0.13 -0.33 -0.17 0.00 -0.00 0.00 0.00 57.50 57.13 1mfs n TRP 37 Cb 0.47 -0.14 -0.08 0.00 -0.00 0.00 0.00 31.31 31.56 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 0.47 -0.03 5.87 4.81 -1.26 -4.69 118.16 123.89 1mfs n LYS 38 Ca 0.15 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1mfs n LYS 38 Cb 0.54 -1.33 -0.10 0.00 0.02 0.00 0.00 35.03 34.16 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 2.00 0.76 3.54 0.00 0.00 0.99 -5.04 105.19 107.44 1mfs n GLY 40 Ca -0.11 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.76 3.42 -0.45 1.61 2.47 -1.11 -4.82 119.74 120.10 1mfs s LYS 41 Ca 0.00 -0.13 -0.28 0.00 -1.56 0.00 0.00 55.97 54.00 1mfs s LYS 41 Cb 0.00 -3.92 -0.00 0.00 -1.46 0.00 0.00 37.83 32.45 1mfs s LYS 41 CO 0.00 -1.04 1.57 -1.83 0.16 0.00 0.00 175.35 174.22 1mfs s GLU 42 N 3.10 3.32 0.00 4.03 1.03 -1.26 -0.49 118.70 128.43 1mfs s GLU 42 Ca 0.28 0.91 0.00 0.00 0.03 0.00 0.00 54.97 56.18 1mfs s GLU 42 Cb -0.13 -4.14 0.00 0.00 -0.80 0.00 0.00 34.13 29.06 1mfs s GLU 42 CO 0.21 -1.89 0.00 0.41 -1.33 0.00 0.00 175.26 172.66 1mfs n GLY 43 N 5.30 1.68 3.88 -3.83 0.00 -1.26 -4.94 105.19 106.03 1mfs n GLY 43 Ca 0.18 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 2.73 0.41 1.61 -3.43 -1.23 -4.86 115.29 110.52 1mfs s HIS 44 Ca 0.00 -0.47 0.07 0.00 -0.80 0.00 0.00 55.06 53.86 1mfs s HIS 44 Cb 0.00 -2.16 -0.08 0.00 -1.43 0.00 0.00 32.58 28.91 1mfs s HIS 44 CO 0.00 -0.12 0.03 -0.65 -2.00 0.00 0.00 174.74 171.99 1mfs s GLN 45 N -4.14 1.99 0.12 -0.38 -0.21 -1.25 0.15 119.66 115.94 1mfs s GLN 45 Ca 0.48 -2.06 -0.24 0.00 0.02 0.00 0.00 55.36 53.56 1mfs s GLN 45 Cb -0.04 -1.69 -0.06 0.00 1.00 0.00 0.00 33.01 32.22 1mfs s GLN 45 CO 0.28 -0.05 1.67 1.98 -2.12 0.00 0.00 175.29 177.05 1mfs h MET 46 N 1.74 -0.25 0.00 2.91 1.85 -1.93 1.26 114.93 120.50 1mfs h MET 46 Ca -0.44 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 1mfs h MET 46 Cb 1.24 0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.33 1mfs h MET 46 CO 0.79 -0.17 0.11 -0.22 -0.40 0.00 0.00 176.91 177.02 1mfs h LYS 47 N -0.26 0.00 -0.67 0.39 3.64 -1.96 0.02 116.57 117.72 1mfs h LYS 47 Ca 0.06 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.03 1mfs h LYS 47 Cb 0.34 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.75 1mfs h LYS 47 CO -0.17 0.00 -0.96 -3.47 -2.27 0.00 0.00 179.45 172.57 1mfs n ASP 48 N -2.92 3.28 -4.58 4.20 2.03 0.58 -4.84 116.55 114.29 1mfs n ASP 48 Ca -0.03 -2.95 -0.42 0.00 0.52 0.00 0.00 54.79 51.91 1mfs n ASP 48 Cb 0.17 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 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 6.75 0.48 0.00 0.00 5.66 -1.26 -4.29 114.28 121.62 1mfs n THR 50 Ca 0.10 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1mfs n THR 50 Cb 0.49 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 1mfs n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1mfs n GLU 51 N 0.55 0.00 0.03 1.09 2.13 -1.26 -5.03 120.64 118.14 1mfs n GLU 51 Ca 0.12 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1mfs n GLU 51 Cb 0.30 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.93 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 -1.97 0.00 -0.72 5.31 3.00 -1.26 -5.14 116.66 115.87 1mfs n ARG 52 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1mfs n ARG 52 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.61 1mfs n ARG 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1mfs n GLN 53 N -2.51 -0.64 -0.89 -0.14 -0.06 -1.26 -4.76 117.38 107.12 1mfs n GLN 53 Ca 0.00 -0.14 0.02 0.00 -2.00 0.00 0.00 57.00 54.88 1mfs n GLN 53 Cb 0.00 -2.00 -0.01 0.00 -4.06 0.00 0.00 30.24 24.16 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 -3.97 -1.53 0.00 1.69 0.00 -1.26 -4.68 120.51 110.76 1mfs n ALA 54 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1mfs n ALA 54 Cb 0.54 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59