#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0g n MET 20 N 0.00 1.50 -4.03 -0.78 2.81 -1.26 -5.08 117.12 110.28 3h0g n MET 20 Ca 0.00 -0.96 -0.31 0.00 -1.81 0.00 0.00 57.70 54.62 3h0g n MET 20 Cb 0.00 0.19 -0.06 0.00 -0.71 0.00 0.00 33.22 32.64 3h0g n MET 20 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3h0g s ILE 21 N -1.15 4.69 0.22 2.02 -1.09 -1.26 -3.72 121.20 120.90 3h0g s ILE 21 Ca 0.04 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 3h0g s ILE 21 Cb -0.00 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3h0g s ILE 21 CO 0.02 0.15 0.01 -0.31 -1.23 0.00 0.00 174.94 173.58 3h0g s TYR 22 N -1.39 1.49 -0.03 3.97 1.51 -1.26 -4.61 117.35 117.03 3h0g s TYR 22 Ca 0.30 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.42 3h0g s TYR 22 Cb -0.12 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 40.86 3h0g s TYR 22 CO 0.22 -0.11 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.91 3h0g s LEU 23 N -3.28 1.90 0.64 -1.29 1.43 -0.51 -2.21 118.68 115.36 3h0g s LEU 23 Ca 0.29 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3h0g s LEU 23 Cb 0.06 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 3h0g s LEU 23 CO 0.08 0.13 1.04 0.00 0.23 0.00 0.00 176.35 177.83 3h0g h ALA 25 N -0.37 1.12 0.00 0.00 0.00 -1.94 -3.26 119.26 114.81 3h0g h ALA 25 Ca -0.44 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3h0g h ALA 25 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h0g h ALA 25 CO 0.60 0.46 -0.08 -0.25 0.00 0.00 0.00 179.25 179.98 3h0g n ASP 26 N -3.70 0.19 0.37 0.00 10.43 -1.26 -4.85 116.55 117.73 3h0g n ASP 26 Ca -0.01 0.03 -0.17 0.00 2.57 0.00 0.00 54.79 57.21 3h0g n ASP 26 Cb 0.46 -0.37 -0.09 0.00 1.84 0.00 0.00 41.12 42.97 3h0g n ASP 26 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h0g n GLY 28 N -1.17 0.87 3.72 0.00 0.00 -1.23 -4.97 105.19 102.41 3h0g n GLY 28 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3h0g n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0g s ALA 29 N -2.57 2.26 -0.27 4.61 0.00 -1.26 -4.53 121.76 120.00 3h0g s ALA 29 Ca 0.00 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.81 3h0g s ALA 29 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3h0g s ALA 29 CO 0.00 -1.75 1.98 0.50 0.00 0.00 0.00 175.76 176.49 3h0g s ARG 30 N -3.55 3.29 0.30 0.00 3.52 -1.26 -4.24 118.95 117.00 3h0g s ARG 30 Ca 0.81 1.74 0.23 0.00 -0.13 0.00 0.00 55.73 58.38 3h0g s ARG 30 Cb -0.36 -4.27 0.27 0.00 -1.56 0.00 0.00 34.95 29.03 3h0g s ARG 30 CO 0.42 -1.92 1.39 -0.91 -0.81 0.00 0.00 175.30 173.48 3h0g h ASN 31 N 13.68 0.00 -6.35 -2.12 4.21 -1.77 -3.48 115.58 119.75 3h0g h ASN 31 Ca -0.37 -0.03 -0.12 0.00 1.21 0.00 0.00 56.30 57.00 3h0g h ASN 31 Cb 1.20 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3h0g h ASN 31 CO 1.00 0.01 -0.22 1.07 -1.29 0.00 0.00 177.43 177.99 3h0g n THR 32 N -2.75 -0.61 -4.13 2.81 5.66 -1.26 -4.85 114.28 109.16 3h0g n THR 32 Ca 0.03 -0.06 -0.27 0.00 -3.05 0.00 0.00 64.05 60.70 3h0g n THR 32 Cb 0.52 -0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 68.70 3h0g n THR 32 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3h0g s ILE 33 N -3.44 4.20 0.27 1.09 -4.36 -1.24 -4.97 121.20 112.75 3h0g s ILE 33 Ca 0.05 -1.18 -0.14 0.00 -0.26 0.00 0.00 60.65 59.13 3h0g s ILE 33 Cb -0.03 -3.12 -0.08 0.00 1.25 0.00 0.00 42.46 40.48 3h0g s ILE 33 CO 0.20 -0.08 0.66 -1.10 0.24 0.00 0.00 174.94 174.85 3h0g s GLN 34 N -2.97 3.96 0.71 0.37 -0.21 -1.26 -4.53 119.66 115.74 3h0g s GLN 34 Ca 0.29 0.55 -0.16 0.00 0.02 0.00 0.00 55.36 56.07 3h0g s GLN 34 Cb -0.10 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 3h0g s GLN 34 CO 0.21 0.25 0.53 0.00 -2.12 0.00 0.00 175.29 174.17 3h0g n ALA 35 N -0.09 -1.48 -2.98 6.09 0.00 -1.26 -3.96 120.51 116.82 3h0g n ALA 35 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 3h0g n ALA 35 Cb 0.53 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3h0g n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3h0g n LYS 36 N -0.71 -0.36 0.00 0.00 0.00 -1.26 -4.96 118.16 110.88 3h0g n LYS 36 Ca 0.10 0.74 0.00 0.00 0.00 0.00 0.00 58.31 59.15 3h0g n LYS 36 Cb 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.56 3h0g n LYS 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3h0g n GLU 37 N 1.10 0.00 -3.80 1.64 2.13 -1.25 -5.15 120.64 115.30 3h0g n GLU 37 Ca -0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3h0g n GLU 37 Cb 0.47 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.03 3h0g n GLU 37 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3h0g s VAL 38 N 2.10 -0.03 -0.42 6.31 1.01 -1.26 -5.12 120.40 122.99 3h0g s VAL 38 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 3h0g s VAL 38 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.30 3h0g s VAL 38 CO 0.00 0.05 0.95 -0.63 0.00 0.00 0.00 175.10 175.47 3h0g s ILE 39 N 0.66 4.50 0.00 2.22 1.09 -1.26 -4.89 121.20 123.52 3h0g s ILE 39 Ca -0.05 1.00 0.00 0.00 -1.10 0.00 0.00 60.65 60.50 3h0g s ILE 39 Cb -0.08 -4.41 0.00 0.00 -1.06 0.00 0.00 42.46 36.92 3h0g s ILE 39 CO -0.02 -0.71 0.00 -2.11 -0.10 0.00 0.00 174.94 171.99 3h0g n ARG 40 N 7.05 0.00 0.00 2.79 1.85 -1.26 -4.70 116.66 122.39 3h0g n ARG 40 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3h0g n ARG 40 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 3h0g n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3h0g n ARG 42 N 0.00 0.00 -2.33 0.00 5.12 -1.26 -4.96 116.66 113.24 3h0g n ARG 42 Ca 0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 3h0g n ARG 42 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 3h0g n ARG 42 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3h0g n GLU 43 N -2.87 4.09 0.00 5.56 1.02 -1.26 -4.90 120.64 122.27 3h0g n GLU 43 Ca 0.00 -4.16 0.00 0.00 -0.02 0.00 0.00 57.16 52.98 3h0g n GLU 43 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 3h0g n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h0g n GLY 45 N 0.00 4.34 1.20 0.00 0.00 -1.26 -4.90 105.19 104.58 3h0g n GLY 45 Ca 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.94 3h0g n GLY 45 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h0g n HIS 46 N 0.00 -3.26 -3.44 1.61 8.25 -1.26 -4.63 115.22 112.48 3h0g n HIS 46 Ca 0.00 1.79 -0.28 0.00 -0.26 0.00 0.00 57.72 58.97 3h0g n HIS 46 Cb 0.00 -2.90 -0.11 0.00 1.12 0.00 0.00 29.99 28.10 3h0g n HIS 46 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3h0g s ARG 47 N -4.63 0.84 0.00 -0.41 0.52 -1.26 -4.04 118.95 109.97 3h0g s ARG 47 Ca 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 3h0g s ARG 47 Cb 0.00 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 34.01 3h0g s ARG 47 CO 0.00 -1.32 0.00 1.33 0.02 0.00 0.00 175.30 175.33 3h0g n VAL 48 N 3.24 0.00 0.00 3.52 0.24 -1.26 -4.88 118.33 119.19 3h0g n VAL 48 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3h0g n VAL 48 Cb 0.43 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3h0g n VAL 48 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3h0g n MET 49 N 0.00 0.00 -0.73 7.34 2.81 -1.25 -4.73 117.12 120.55 3h0g n MET 49 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3h0g n MET 49 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3h0g n MET 49 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3h0g n TYR 50 N 1.72 -2.18 -4.52 2.03 0.53 0.12 -4.84 117.16 110.01 3h0g n TYR 50 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.66 3h0g n TYR 50 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.15 3h0g n TYR 50 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 3h0g s LYS 51 N -0.64 1.27 0.37 -0.72 2.20 -1.26 -1.43 119.74 119.53 3h0g s LYS 51 Ca 0.00 -0.39 -0.26 0.00 -0.36 0.00 0.00 55.97 54.96 3h0g s LYS 51 Cb 0.00 -1.14 -0.12 0.00 -1.51 0.00 0.00 37.83 35.06 3h0g s LYS 51 CO 0.00 0.12 1.08 -0.12 -0.36 0.00 0.00 175.35 176.07 3h0g n MET 52 N 3.37 1.55 -2.15 4.03 0.00 -1.26 -4.90 117.12 117.76 3h0g n MET 52 Ca -0.19 0.55 -0.41 0.00 -0.00 0.00 0.00 57.70 57.65 3h0g n MET 52 Cb 0.53 -2.06 -0.02 0.00 0.00 0.00 0.00 33.22 31.66 3h0g n MET 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3h0g s ARG 53 N -1.86 4.38 1.29 2.12 3.52 -1.26 -5.00 118.95 122.13 3h0g s ARG 53 Ca 0.60 2.16 -0.18 0.00 -0.13 0.00 0.00 55.73 58.18 3h0g s ARG 53 Cb -0.60 -3.11 0.33 0.00 -1.56 0.00 0.00 34.95 30.01 3h0g s ARG 53 CO 0.59 -0.19 0.98 -0.08 -0.81 0.00 0.00 175.30 175.79 3h0g s THR 54 N -0.77 1.59 0.00 4.11 -1.32 -1.26 -4.92 115.64 113.07 3h0g s THR 54 Ca 0.51 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 3h0g s THR 54 Cb -0.39 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 3h0g s THR 54 CO 0.48 0.00 0.74 0.29 -2.21 0.00 0.00 174.62 173.92 3h0g n LYS 55 N -5.26 0.00 -0.22 7.08 5.02 -1.26 -4.87 118.16 118.65 3h0g n LYS 55 Ca 0.08 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3h0g n LYS 55 Cb 0.58 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3h0g n LYS 55 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3h0g n ARG 56 N -1.97 0.00 -2.14 1.97 0.00 -1.26 -5.06 116.66 108.20 3h0g n ARG 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3h0g n ARG 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3h0g n ARG 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3h0g n MET 57 N 0.00 -0.31 -4.64 -0.14 2.81 -1.26 -4.93 117.12 108.65 3h0g n MET 57 Ca 0.00 0.55 -0.33 0.00 -1.81 0.00 0.00 57.70 56.10 3h0g n MET 57 Cb 0.43 -0.59 -0.13 0.00 -0.71 0.00 0.00 33.22 32.22 3h0g n MET 57 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h0g s VAL 58 N -0.49 3.47 -0.25 2.03 1.01 -1.26 -5.05 120.40 119.86 3h0g s VAL 58 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3h0g s VAL 58 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3h0g s VAL 58 CO 0.00 0.54 1.87 -1.58 0.00 0.00 0.00 175.10 175.93 3h0g s GLN 59 N -0.04 3.45 -0.25 2.72 2.00 -1.26 -4.97 119.66 121.32 3h0g s GLN 59 Ca -0.01 1.72 -0.01 0.00 -2.00 0.00 0.00 55.36 55.06 3h0g s GLN 59 Cb -0.14 -4.20 0.07 0.00 0.80 0.00 0.00 33.01 29.55 3h0g s GLN 59 CO 0.03 -1.72 0.02 -0.06 -0.50 0.00 0.00 175.29 173.06 3h0g s PHE 60 N 6.65 1.87 0.60 1.67 0.40 -1.26 -5.13 117.98 122.78 3h0g s PHE 60 Ca 0.84 -1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 55.44 3h0g s PHE 60 Cb -0.27 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 3h0g s PHE 60 CO 0.34 -0.76 1.23 -1.21 0.70 0.00 0.00 175.22 175.52 3h0g s GLU 61 N 1.57 2.91 -1.08 0.44 2.02 -1.26 -4.95 118.70 118.35 3h0g s GLU 61 Ca 0.00 1.88 -0.03 0.00 0.02 0.00 0.00 54.97 56.85 3h0g s GLU 61 Cb -0.18 -1.93 0.30 0.00 0.10 0.00 0.00 34.13 32.42 3h0g s GLU 61 CO -0.12 -1.27 1.76 0.00 0.02 0.00 0.00 175.26 175.65 3h0g n ALA 62 N -1.62 5.82 -1.31 5.21 0.00 -1.26 -5.31 120.51 122.03 3h0g n ALA 62 Ca 0.14 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.95 3h0g n ALA 62 Cb 0.49 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3h0g n ALA 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04