#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 0.11 3.17 0.00 -1.26 -5.07 117.38 114.34 1mfs n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1mfs n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1mfs n GLN 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1mfs n LYS 3 N -3.20 0.00 0.00 3.69 4.76 -1.26 -5.09 118.16 117.06 1mfs n LYS 3 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1mfs n LYS 3 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mfs n GLY 4 N -1.36 2.45 3.55 0.72 0.00 -1.26 -5.04 105.19 104.25 1mfs n GLY 4 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 2.05 -4.71 1.61 4.13 -1.26 -4.90 115.26 112.17 1mfs n ASN 5 Ca 0.00 -0.84 -0.23 0.00 1.68 0.00 0.00 54.58 55.20 1mfs n ASN 5 Cb 0.00 -1.59 -0.06 0.00 -1.54 0.00 0.00 39.78 36.59 1mfs n ASN 5 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1mfs s PHE 6 N 12.94 2.82 0.55 3.10 0.40 -1.26 -5.03 117.98 131.50 1mfs s PHE 6 Ca 0.98 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 1mfs s PHE 6 Cb -0.19 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1mfs s PHE 6 CO 0.21 0.53 0.00 -2.13 0.70 0.00 0.00 175.22 174.53 1mfs n ARG 7 N -1.03 -3.07 0.13 0.44 3.00 -1.26 -4.01 116.66 110.86 1mfs n ARG 7 Ca -0.06 2.49 -0.06 0.00 -0.00 0.00 0.00 57.85 60.22 1mfs n ARG 7 Cb 0.59 -3.46 -0.03 0.00 0.00 0.00 0.00 32.46 29.56 1mfs n ARG 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1mfs h ASN 8 N -1.02 -0.33 -3.06 6.15 -0.73 -2.04 -3.34 115.58 111.20 1mfs h ASN 8 Ca -0.15 0.02 -0.75 0.00 1.87 0.00 0.00 56.30 57.29 1mfs h ASN 8 Cb 1.16 0.09 -0.22 0.00 0.27 0.00 0.00 38.32 39.62 1mfs h ASN 8 CO 0.06 -0.22 0.58 -1.10 -0.37 0.00 0.00 177.43 176.38 1mfs s GLN 9 N -3.81 3.75 -0.31 6.67 -1.52 -1.26 -4.99 119.66 118.18 1mfs s GLN 9 Ca -0.05 -2.33 -0.37 0.00 -1.95 0.00 0.00 55.36 50.66 1mfs s GLN 9 Cb 0.01 -4.71 -0.13 0.00 -0.22 0.00 0.00 33.01 27.96 1mfs s GLN 9 CO 0.16 -1.52 2.03 -2.13 -0.25 0.00 0.00 175.29 173.58 1mfs n ARG 10 N 4.95 1.14 -2.25 2.91 0.63 -1.26 -4.79 116.66 117.99 1mfs n ARG 10 Ca 0.22 0.36 -0.33 0.00 -0.92 0.00 0.00 57.85 57.18 1mfs n ARG 10 Cb 0.46 -2.31 -0.04 0.00 0.45 0.00 0.00 32.46 31.02 1mfs n ARG 10 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1mfs s LYS 11 N 5.22 3.01 -0.14 -0.14 0.00 -1.26 -4.29 119.74 122.13 1mfs s LYS 11 Ca 1.05 -1.09 0.07 0.00 0.00 0.00 0.00 55.97 56.00 1mfs s LYS 11 Cb -0.95 -5.28 0.19 0.00 0.00 0.00 0.00 37.83 31.80 1mfs s LYS 11 CO 0.55 -3.16 1.23 2.41 0.00 0.00 0.00 175.35 176.38 1mfs n THR 12 N 7.38 0.03 -3.17 3.79 -1.04 -1.22 -4.69 114.28 115.36 1mfs n THR 12 Ca 0.42 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1mfs n THR 12 Cb 0.47 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.72 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1mfs n VAL 13 N -0.62 0.00 -3.80 12.58 0.24 -1.26 -4.82 118.33 120.64 1mfs n VAL 13 Ca -0.22 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.71 1mfs n VAL 13 Cb 0.79 -0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.33 2.92 -0.26 7.34 -2.85 -1.26 -1.11 119.74 124.19 1mfs s LYS 14 Ca 0.00 -0.96 -0.28 0.00 -1.00 0.00 0.00 55.97 53.73 1mfs s LYS 14 Cb 0.00 -3.31 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 1mfs s LYS 14 CO 0.00 -0.48 2.15 0.00 0.10 0.00 0.00 175.35 177.12 1mfs n PHE 16 N 11.72 0.34 -0.12 0.00 -0.00 -1.26 0.22 117.46 128.35 1mfs n PHE 16 Ca 0.29 -0.14 -0.18 0.00 -0.00 0.00 0.00 57.45 57.41 1mfs n PHE 16 Cb 0.46 -0.06 -0.11 0.00 -0.00 0.00 0.00 39.48 39.78 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 0.09 2.11 -0.06 -2.13 5.15 -1.26 -4.74 115.26 114.42 1mfs n ASN 17 Ca 0.07 -0.06 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 1mfs n ASN 17 Cb 0.25 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 39.02 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 2.87 1.71 3.42 0.00 0.00 0.13 -5.09 105.19 108.24 1mfs n GLY 19 Ca -0.23 0.00 -0.33 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 -0.41 3.03 -0.01 1.61 1.02 -1.18 -4.86 119.74 118.93 1mfs s LYS 20 Ca 0.00 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.06 1mfs s LYS 20 Cb 0.00 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1mfs s LYS 20 CO 0.00 0.39 0.75 -1.83 -0.92 0.00 0.00 175.35 173.74 1mfs s GLU 21 N -0.11 4.47 0.00 1.68 4.04 -1.26 -0.94 118.70 126.57 1mfs s GLU 21 Ca -0.01 1.00 0.00 0.00 0.04 0.00 0.00 54.97 56.00 1mfs s GLU 21 Cb -0.14 -3.41 0.00 0.00 0.02 0.00 0.00 34.13 30.60 1mfs s GLU 21 CO 0.03 0.15 0.00 0.41 -1.84 0.00 0.00 175.26 174.01 1mfs n GLY 22 N 2.78 3.91 3.39 -3.83 0.00 -0.27 -4.95 105.19 106.22 1mfs n GLY 22 Ca -0.01 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 1.80 0.37 1.61 -3.43 -1.26 -3.44 115.29 110.95 1mfs s HIS 23 Ca 0.00 -0.80 -0.02 0.00 -0.80 0.00 0.00 55.06 53.44 1mfs s HIS 23 Cb 0.00 -1.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.07 1mfs s HIS 23 CO 0.00 0.14 0.61 0.96 -2.00 0.00 0.00 174.74 174.45 1mfs s ILE 24 N -3.18 5.04 0.27 -5.38 -4.36 -1.26 -2.13 121.20 110.19 1mfs s ILE 24 Ca 0.29 -0.21 -0.04 0.00 -0.26 0.00 0.00 60.65 60.44 1mfs s ILE 24 Cb 0.05 -3.84 0.25 0.00 1.25 0.00 0.00 42.46 40.17 1mfs s ILE 24 CO 0.11 -0.60 1.93 0.00 0.24 0.00 0.00 174.94 176.62 1mfs h ALA 25 N 0.77 1.31 -0.00 2.27 0.00 -1.90 0.16 119.26 121.88 1mfs h ALA 25 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1mfs h ALA 25 Cb 1.21 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1mfs h ALA 25 CO 0.62 0.61 0.01 -0.22 0.00 0.00 0.00 179.25 180.28 1mfs h LYS 26 N 1.23 0.00 -0.55 0.00 3.11 -1.99 0.33 116.57 118.69 1mfs h LYS 26 Ca 0.33 0.00 -0.40 0.00 -2.81 0.00 0.00 60.65 57.76 1mfs h LYS 26 Cb -0.10 0.00 -0.33 0.00 -1.00 0.00 0.00 32.23 30.80 1mfs h LYS 26 CO -0.07 0.00 -0.76 -1.71 -2.81 0.00 0.00 179.45 174.10 1mfs n ASN 27 N -3.15 3.99 -4.60 4.20 5.15 0.49 -5.01 115.26 116.32 1mfs n ASN 27 Ca -0.03 -3.68 -0.43 0.00 -0.60 0.00 0.00 54.58 49.84 1mfs n ASN 27 Cb 0.08 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 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 7.15 0.85 -3.92 0.00 1.85 -1.26 -4.31 116.66 117.02 1mfs n ARG 29 Ca 0.09 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.64 1mfs n ARG 29 Cb 0.48 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.25 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mfs s ALA 30 N -2.06 3.01 1.08 2.89 0.00 -1.26 -5.10 121.76 120.32 1mfs s ALA 30 Ca 0.41 -3.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.24 1mfs s ALA 30 Cb 0.20 -2.07 0.18 0.00 0.00 0.00 0.00 23.12 21.43 1mfs s ALA 30 CO 0.34 -1.96 0.85 -0.35 0.00 0.00 0.00 175.76 174.65 1mfs n PRO 31 N 3.42 -1.68 -1.65 0.00 -0.04 -1.26 -4.63 135.00 129.16 1mfs n PRO 31 Ca 0.05 -1.34 -0.45 0.00 -0.04 0.00 0.00 63.50 61.73 1mfs n PRO 31 Cb 0.34 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1mfs n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfs n ARG 32 N -3.39 1.81 -0.07 0.54 1.74 -1.26 -4.93 116.66 111.09 1mfs n ARG 32 Ca 0.11 0.64 -0.07 0.00 -0.77 0.00 0.00 57.85 57.76 1mfs n ARG 32 Cb 0.41 -2.20 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 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 1.37 0.42 0.00 5.56 5.02 -1.26 -4.99 118.16 124.28 1mfs n LYS 33 Ca 0.10 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1mfs n LYS 33 Cb 0.32 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1mfs n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1mfs n LYS 34 N -4.07 0.00 0.00 1.97 4.76 -1.26 -4.74 118.16 114.82 1mfs n LYS 34 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1mfs n LYS 34 Cb 0.39 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mfs n GLY 35 N 0.00 2.44 3.71 0.72 0.00 -1.23 -4.36 105.19 106.46 1mfs n GLY 35 Ca 0.00 0.17 -0.58 0.00 0.00 0.00 0.00 46.02 45.61 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 5.22 0.67 -0.12 0.00 -0.00 -1.26 0.10 117.44 122.05 1mfs n TRP 37 Ca 0.27 -0.29 -0.21 0.00 -0.00 0.00 0.00 57.50 57.26 1mfs n TRP 37 Cb 0.12 -0.09 -0.10 0.00 -0.00 0.00 0.00 31.31 31.24 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 0.57 -0.06 5.87 4.81 -1.26 -4.70 118.16 123.94 1mfs n LYS 38 Ca 0.13 0.18 -0.06 0.00 -0.87 0.00 0.00 58.31 57.70 1mfs n LYS 38 Cb 0.44 -1.44 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 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 2.34 0.99 3.63 0.00 0.00 0.12 -5.05 105.19 107.22 1mfs n GLY 40 Ca -0.19 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.78 3.98 -1.24 1.61 3.01 -1.16 -4.61 119.74 120.55 1mfs s LYS 41 Ca 0.00 1.20 -0.20 0.00 -1.01 0.00 0.00 55.97 55.96 1mfs s LYS 41 Cb 0.00 -3.83 -0.01 0.00 -1.01 0.00 0.00 37.83 32.98 1mfs s LYS 41 CO 0.00 -1.03 1.85 -0.85 0.51 0.00 0.00 175.35 175.83 1mfs n GLU 42 N 7.13 2.36 0.00 1.68 0.28 -1.26 0.23 120.64 131.06 1mfs n GLU 42 Ca 0.14 -2.85 0.00 0.00 -0.16 0.00 0.00 57.16 54.29 1mfs n GLU 42 Cb 0.47 -3.61 0.00 0.00 1.43 0.00 0.00 31.44 29.72 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 5.57 -2.03 3.95 -1.84 0.00 -1.26 -4.75 105.19 104.83 1mfs n GLY 43 Ca 0.47 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.17 2.56 0.41 1.61 -3.43 -1.24 -4.77 115.29 109.25 1mfs s HIS 44 Ca 0.00 0.21 0.04 0.00 -0.80 0.00 0.00 55.06 54.51 1mfs s HIS 44 Cb 0.00 -3.15 -0.03 0.00 -1.43 0.00 0.00 32.58 27.97 1mfs s HIS 44 CO 0.00 -1.46 0.11 1.14 -2.00 0.00 0.00 174.74 172.53 1mfs s GLN 45 N -5.18 1.92 0.28 -0.38 -2.07 -1.26 0.16 119.66 113.12 1mfs s GLN 45 Ca 0.62 -2.16 -0.00 0.00 -1.82 0.00 0.00 55.36 51.99 1mfs s GLN 45 Cb -0.09 -0.71 0.49 0.00 -1.09 0.00 0.00 33.01 31.62 1mfs s GLN 45 CO 0.44 -0.44 1.88 1.98 -1.32 0.00 0.00 175.29 177.83 1mfs h MET 46 N 1.79 1.04 0.00 9.60 1.85 -1.92 1.56 114.93 128.85 1mfs h MET 46 Ca -0.37 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.66 1mfs h MET 46 Cb 1.27 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 33.07 1mfs h MET 46 CO 0.60 0.69 0.00 -0.22 -0.40 0.00 0.00 176.91 177.58 1mfs h LYS 47 N 1.08 0.00 0.00 0.39 3.64 -1.99 -1.25 116.57 118.44 1mfs h LYS 47 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1mfs h LYS 47 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1mfs h LYS 47 CO -0.19 0.00 -0.03 -3.47 -2.27 0.00 0.00 179.45 173.49 1mfs n ASP 48 N -2.87 2.05 -4.53 4.20 -0.08 0.13 -4.97 116.55 110.48 1mfs n ASP 48 Ca -0.00 -2.66 -0.43 0.00 -1.51 0.00 0.00 54.79 50.18 1mfs n ASP 48 Cb 0.19 -0.28 -0.05 0.00 2.34 0.00 0.00 41.12 43.32 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 6.09 0.01 0.26 0.00 5.66 -1.26 -4.00 114.28 121.03 1mfs n THR 50 Ca 0.01 -0.01 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1mfs n THR 50 Cb 0.48 -0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 68.89 1mfs n THR 50 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mfs h GLU 51 N 0.09 -0.76 -4.41 1.09 4.57 -1.94 -3.46 114.58 109.75 1mfs h GLU 51 Ca 0.00 0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.06 1mfs h GLU 51 Cb 0.02 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 28.63 1mfs h GLU 51 CO 0.00 -0.51 -0.66 1.03 -1.18 0.00 0.00 179.01 177.70 1mfs s ARG 52 N -5.01 0.86 -0.66 1.92 0.52 -1.26 -4.96 118.95 110.37 1mfs s ARG 52 Ca -0.13 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 53.68 1mfs s ARG 52 Cb 0.02 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.69 1mfs s ARG 52 CO 0.42 -0.21 0.62 1.04 0.02 0.00 0.00 175.30 177.18 1mfs n GLN 53 N -0.05 -1.22 -3.87 3.54 6.02 -1.26 -4.92 117.38 115.62 1mfs n GLN 53 Ca -0.08 1.28 -0.36 0.00 -0.01 0.00 0.00 57.00 57.84 1mfs n GLN 53 Cb 0.63 -5.15 -0.14 0.00 1.02 0.00 0.00 30.24 26.61 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mfs s ALA 54 N -3.04 2.88 -1.51 -1.58 0.00 -1.26 -4.98 121.76 112.26 1mfs s ALA 54 Ca 0.05 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1mfs s ALA 54 Cb -0.01 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1mfs s ALA 54 CO 0.64 -0.68 0.38 -1.71 0.00 0.00 0.00 175.76 174.38