#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 0.88 -3.59 0.03 10.64 -1.26 -5.09 117.38 119.00 1mfs n GLN 2 Ca 0.00 -2.50 -0.12 0.00 -1.83 0.00 0.00 57.00 52.54 1mfs n GLN 2 Cb 0.00 -1.34 -0.12 0.00 -0.86 0.00 0.00 30.24 27.92 1mfs n GLN 2 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1mfs s LYS 3 N -0.59 0.22 7.44 2.61 2.47 -1.26 -5.08 119.74 125.55 1mfs s LYS 3 Ca 0.32 0.70 0.00 0.00 -1.56 0.00 0.00 55.97 55.43 1mfs s LYS 3 Cb 0.27 -0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1mfs s LYS 3 CO -0.12 -0.38 0.00 0.41 0.16 0.00 0.00 175.35 175.42 1mfs n GLY 4 N 5.36 3.13 0.67 5.54 0.00 -1.26 -3.79 105.19 114.84 1mfs n GLY 4 Ca -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 9.68 1.15 0.00 1.61 6.94 -1.26 -5.06 115.26 128.32 1mfs n ASN 5 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1mfs n ASN 5 Cb 0.00 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 1mfs n ASN 5 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1mfs n PHE 6 N -3.71 0.00 -3.35 -2.53 1.16 -1.25 -5.02 117.46 102.76 1mfs n PHE 6 Ca -0.12 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.05 1mfs n PHE 6 Cb 0.39 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.18 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 0.00 3.62 -0.23 3.97 3.00 -1.26 -4.94 118.95 123.12 1mfs s ARG 7 Ca 0.00 -0.30 -0.03 0.00 -1.00 0.00 0.00 55.73 54.40 1mfs s ARG 7 Cb 0.00 -3.79 0.12 0.00 0.00 0.00 0.00 34.95 31.28 1mfs s ARG 7 CO 0.00 -0.54 0.35 -0.80 0.00 0.00 0.00 175.30 174.31 1mfs s ASN 8 N 1.73 0.40 0.46 -2.12 0.01 -1.26 -5.08 114.94 109.08 1mfs s ASN 8 Ca 0.14 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1mfs s ASN 8 Cb -0.16 0.99 0.00 0.00 0.41 0.00 0.00 41.25 42.49 1mfs s ASN 8 CO 0.12 -0.30 0.00 0.00 -1.51 0.00 0.00 177.10 175.41 1mfs n GLN 9 N 5.36 -2.60 -2.01 -0.60 6.02 -1.26 -4.38 117.38 117.90 1mfs n GLN 9 Ca -0.04 2.08 -0.37 0.00 -0.01 0.00 0.00 57.00 58.65 1mfs n GLN 9 Cb 0.50 -3.06 -0.01 0.00 1.02 0.00 0.00 30.24 28.69 1mfs n GLN 9 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1mfs n ARG 10 N -3.88 4.17 -0.04 -1.09 1.85 -1.26 -4.54 116.66 111.87 1mfs n ARG 10 Ca -0.06 -3.47 -0.03 0.00 -1.00 0.00 0.00 57.85 53.29 1mfs n ARG 10 Cb 0.54 -2.47 -0.01 0.00 -1.05 0.00 0.00 32.46 29.47 1mfs n ARG 10 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1mfs n LYS 11 N 1.02 0.26 -3.59 2.89 4.81 -1.26 -5.08 118.16 117.21 1mfs n LYS 11 Ca 0.56 0.34 -0.08 0.00 -0.87 0.00 0.00 58.31 58.25 1mfs n LYS 11 Cb 0.31 -1.21 -0.05 0.00 0.02 0.00 0.00 35.03 34.10 1mfs n LYS 11 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1mfs s THR 12 N -1.77 0.00 0.08 3.15 -1.32 -1.26 -5.13 115.64 109.38 1mfs s THR 12 Ca -0.10 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.24 1mfs s THR 12 Cb 0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1mfs s THR 12 CO 0.15 0.00 0.31 0.68 -2.21 0.00 0.00 174.62 173.55 1mfs s VAL 13 N -1.14 0.09 -0.11 5.08 -7.23 -1.26 -4.93 120.40 110.91 1mfs s VAL 13 Ca 0.01 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1mfs s VAL 13 Cb -0.01 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 1mfs s VAL 13 CO -0.01 -0.41 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.59 1mfs s LYS 14 N -3.21 3.11 -0.33 4.82 0.00 -1.22 -1.39 119.74 121.53 1mfs s LYS 14 Ca -0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 55.97 54.89 1mfs s LYS 14 Cb 0.01 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.41 1mfs s LYS 14 CO -0.08 0.25 1.34 0.00 0.00 0.00 0.00 175.35 176.86 1mfs n PHE 16 N 7.96 0.36 -0.13 0.00 7.35 -1.26 0.21 117.46 131.96 1mfs n PHE 16 Ca 0.15 -0.17 -0.20 0.00 -0.76 0.00 0.00 57.45 56.47 1mfs n PHE 16 Cb 0.47 -0.01 -0.12 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 0.24 1.98 -0.06 -2.13 5.15 -1.26 -4.71 115.26 114.48 1mfs n ASN 17 Ca 0.09 -0.05 -0.08 0.00 -0.60 0.00 0.00 54.58 53.93 1mfs n ASN 17 Cb 0.24 -0.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.93 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 2.80 1.64 3.48 0.00 0.00 0.13 -5.08 105.19 108.16 1mfs n GLY 19 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.52 2.47 0.30 1.61 -0.14 -1.17 -4.86 119.74 117.44 1mfs s LYS 20 Ca 0.00 -0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 53.66 1mfs s LYS 20 Cb 0.00 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 33.69 1mfs s LYS 20 CO 0.00 0.62 0.86 -1.83 -0.76 0.00 0.00 175.35 174.24 1mfs s GLU 21 N -0.80 4.42 0.00 1.68 1.03 -1.26 -0.50 118.70 123.27 1mfs s GLU 21 Ca 0.12 1.13 0.00 0.00 0.03 0.00 0.00 54.97 56.25 1mfs s GLU 21 Cb -0.11 -2.76 0.00 0.00 -0.80 0.00 0.00 34.13 30.47 1mfs s GLU 21 CO 0.01 0.29 0.00 0.41 -1.33 0.00 0.00 175.26 174.64 1mfs n GLY 22 N 0.47 0.63 3.66 -3.83 0.00 -0.49 -4.91 105.19 100.73 1mfs n GLY 22 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.61 -0.04 0.38 1.61 -3.43 -1.21 -4.93 115.29 106.06 1mfs s HIS 23 Ca 0.00 -0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.26 1mfs s HIS 23 Cb 0.00 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1mfs s HIS 23 CO 0.00 -0.31 0.34 0.96 -2.00 0.00 0.00 174.74 173.73 1mfs s ILE 24 N -2.42 3.04 0.21 -5.38 -4.36 -1.26 0.16 121.20 111.19 1mfs s ILE 24 Ca 0.16 -1.35 -0.09 0.00 -0.26 0.00 0.00 60.65 59.10 1mfs s ILE 24 Cb 0.04 -3.08 0.16 0.00 1.25 0.00 0.00 42.46 40.83 1mfs s ILE 24 CO -0.03 -0.08 1.83 0.00 0.24 0.00 0.00 174.94 176.90 1mfs h ALA 25 N 1.12 0.95 0.00 2.27 0.00 -1.86 0.42 119.26 122.16 1mfs h ALA 25 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 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 0.58 0.16 0.00 -0.22 0.00 0.00 0.00 179.25 179.77 1mfs h LYS 26 N 0.81 0.00 -0.32 0.00 3.64 -1.96 0.95 116.57 119.69 1mfs h LYS 26 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1mfs h LYS 26 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1mfs h LYS 26 CO -0.15 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.32 1mfs n ASN 27 N -2.85 3.99 -4.62 4.20 2.85 0.12 -4.95 115.26 114.00 1mfs n ASN 27 Ca -0.01 -2.86 -0.43 0.00 -0.11 0.00 0.00 54.58 51.17 1mfs n ASN 27 Cb 0.17 -0.52 -0.02 0.00 1.24 0.00 0.00 39.78 40.64 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 7.63 0.85 -3.83 0.00 1.85 -1.26 -4.31 116.66 117.59 1mfs n ARG 29 Ca 0.15 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.66 1mfs n ARG 29 Cb 0.47 -1.49 -0.12 0.00 -1.05 0.00 0.00 32.46 30.28 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 -2.00 3.40 -0.05 2.89 0.00 -1.26 -4.95 121.76 119.79 1mfs s ALA 30 Ca 0.40 -3.16 -0.08 0.00 0.00 0.00 0.00 51.96 49.11 1mfs s ALA 30 Cb 0.18 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1mfs s ALA 30 CO 0.31 -2.02 0.38 -1.00 0.00 0.00 0.00 175.76 173.43 1mfs h PRO 31 N 6.95 -0.29 -2.77 0.00 0.13 -1.99 -3.47 132.00 130.57 1mfs h PRO 31 Ca -0.05 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1mfs h PRO 31 Cb 0.94 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 31.99 1mfs h PRO 31 CO 0.69 -0.20 0.12 1.03 -0.23 0.00 0.00 178.00 179.41 1mfs s ARG 32 N -2.53 1.13 0.10 0.86 1.81 -1.26 -5.13 118.95 113.93 1mfs s ARG 32 Ca -0.04 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 1mfs s ARG 32 Cb 0.00 0.52 0.00 0.00 -0.45 0.00 0.00 34.95 35.02 1mfs s ARG 32 CO 0.13 -0.44 0.00 0.36 -0.68 0.00 0.00 175.30 174.68 1mfs n LYS 33 N 0.16 0.00 -3.60 3.54 2.85 -1.26 -4.90 118.16 114.95 1mfs n LYS 33 Ca -0.18 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.04 1mfs n LYS 33 Cb 0.62 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.98 1mfs n LYS 33 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1mfs s LYS 34 N 0.00 0.61 0.34 -1.58 -2.85 -1.26 -5.06 119.74 109.94 1mfs s LYS 34 Ca 0.00 -0.27 0.07 0.00 -1.00 0.00 0.00 55.97 54.77 1mfs s LYS 34 Cb 0.00 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 1mfs s LYS 34 CO 0.00 -0.27 0.35 0.20 0.10 0.00 0.00 175.35 175.73 1mfs s GLY 35 N -2.55 1.72 -0.13 0.59 0.00 -1.26 -4.48 107.32 101.20 1mfs s GLY 35 Ca 0.10 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 42.93 1mfs s GLY 35 CO -0.05 -1.51 2.00 0.00 0.00 0.00 0.00 173.10 173.54 1mfs n TRP 37 N 9.55 0.82 -0.10 0.00 7.02 -1.26 -0.06 117.44 133.41 1mfs n TRP 37 Ca 0.24 -0.33 -0.18 0.00 -1.02 0.00 0.00 57.50 56.21 1mfs n TRP 37 Cb 0.44 -0.14 -0.09 0.00 -2.42 0.00 0.00 31.31 29.10 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1mfs n LYS 38 N 0.56 0.49 -0.03 -0.99 4.81 -1.26 -4.68 118.16 117.05 1mfs n LYS 38 Ca 0.15 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1mfs n LYS 38 Cb 0.53 -1.35 -0.10 0.00 0.02 0.00 0.00 35.03 34.13 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 2.01 0.77 3.64 0.00 0.00 0.91 -5.06 105.19 107.48 1mfs n GLY 40 Ca -0.11 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.72 4.06 -0.26 1.61 2.47 -1.12 -4.82 119.74 120.95 1mfs s LYS 41 Ca 0.00 -0.15 -0.22 0.00 -1.56 0.00 0.00 55.97 54.04 1mfs s LYS 41 Cb 0.00 -3.57 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 1mfs s LYS 41 CO 0.00 -0.04 0.70 -1.83 0.16 0.00 0.00 175.35 174.34 1mfs s GLU 42 N 1.35 4.09 0.00 4.03 -1.05 -1.26 0.04 118.70 125.89 1mfs s GLU 42 Ca 0.10 0.62 0.00 0.00 -0.15 0.00 0.00 54.97 55.55 1mfs s GLU 42 Cb -0.14 -3.67 0.00 0.00 -0.44 0.00 0.00 34.13 29.88 1mfs s GLU 42 CO 0.07 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.20 1mfs n GLY 43 N 4.10 3.42 3.88 -3.83 0.00 -1.26 -4.94 105.19 106.55 1mfs n GLY 43 Ca 0.01 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 2.98 0.25 1.61 -3.43 -1.26 -5.00 115.29 110.44 1mfs s HIS 44 Ca 0.00 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.00 1mfs s HIS 44 Cb 0.00 -1.79 -0.00 0.00 -1.43 0.00 0.00 32.58 29.36 1mfs s HIS 44 CO 0.00 0.19 0.00 1.04 -2.00 0.00 0.00 174.74 173.97 1mfs n GLN 45 N -1.40 1.37 -0.38 -0.38 3.00 -1.26 -3.01 117.38 115.31 1mfs n GLN 45 Ca -0.02 -1.83 -0.02 0.00 -0.01 0.00 0.00 57.00 55.12 1mfs n GLN 45 Cb 0.59 0.50 0.11 0.00 0.00 0.00 0.00 30.24 31.45 1mfs n GLN 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1mfs h MET 46 N 0.00 1.32 0.00 -1.09 1.85 -1.97 1.50 114.93 116.54 1mfs h MET 46 Ca -0.21 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 1mfs h MET 46 Cb 0.63 -0.30 0.00 0.00 0.43 0.00 0.00 31.60 32.36 1mfs h MET 46 CO 0.34 0.87 0.00 -0.22 -0.40 0.00 0.00 176.91 177.51 1mfs h LYS 47 N 1.36 0.00 0.00 0.39 3.64 -2.03 -1.26 116.57 118.67 1mfs h LYS 47 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1mfs h LYS 47 Cb -0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1mfs h LYS 47 CO -0.08 0.00 -0.02 -3.47 -2.27 0.00 0.00 179.45 173.61 1mfs n ASP 48 N -2.95 2.14 -4.53 4.20 2.03 0.27 -4.97 116.55 112.73 1mfs n ASP 48 Ca -0.01 -2.74 -0.43 0.00 0.52 0.00 0.00 54.79 52.14 1mfs n ASP 48 Cb 0.20 -0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 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 6.13 0.05 -3.24 0.00 -1.04 -1.26 -4.60 114.28 110.32 1mfs n THR 50 Ca 0.02 -0.08 -0.46 0.00 -2.04 0.00 0.00 64.05 61.49 1mfs n THR 50 Cb 0.48 -0.13 -0.04 0.00 -1.82 0.00 0.00 70.33 68.82 1mfs n THR 50 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1mfs s GLU 51 N -1.95 3.21 -0.25 -2.82 0.41 -1.26 -4.97 118.70 111.07 1mfs s GLU 51 Ca 0.27 -1.82 -0.28 0.00 -0.41 0.00 0.00 54.97 52.74 1mfs s GLU 51 Cb 0.13 -4.37 0.16 0.00 -1.78 0.00 0.00 34.13 28.27 1mfs s GLU 51 CO 0.21 -1.40 1.21 0.50 -0.49 0.00 0.00 175.26 175.29 1mfs s ARG 52 N 1.56 0.30 -0.73 1.61 6.06 -1.26 -4.98 118.95 121.51 1mfs s ARG 52 Ca 0.11 0.17 -0.06 0.00 -2.50 0.00 0.00 55.73 53.45 1mfs s ARG 52 Cb -0.21 0.14 0.01 0.00 0.06 0.00 0.00 34.95 34.95 1mfs s ARG 52 CO -0.00 -0.07 0.64 0.94 -2.50 0.00 0.00 175.30 174.30 1mfs n GLN 53 N 1.10 -1.58 -1.52 5.12 7.27 -1.26 -4.75 117.38 121.76 1mfs n GLN 53 Ca -0.07 1.17 -0.42 0.00 0.07 0.00 0.00 57.00 57.74 1mfs n GLN 53 Cb 0.58 -3.61 -0.02 0.00 2.41 0.00 0.00 30.24 29.59 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1mfs n ALA 54 N -1.91 4.65 -0.55 1.69 0.00 -1.26 -5.26 120.51 117.87 1mfs n ALA 54 Ca -0.16 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1mfs n ALA 54 Cb 0.62 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59