#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0g s SER 2 N 0.00 3.50 0.04 -2.24 1.04 -1.26 -4.97 113.70 109.80 1e0g s SER 2 Ca 0.00 -0.43 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 1e0g s SER 2 Cb 0.00 -0.51 -0.06 0.00 0.10 0.00 0.00 66.02 65.55 1e0g s SER 2 CO 0.00 0.29 0.48 -0.63 0.98 0.00 0.00 173.24 174.36 1e0g s ILE 3 N -0.78 4.91 -0.16 -1.02 1.01 -1.25 -4.94 121.20 118.96 1e0g s ILE 3 Ca 0.12 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.74 1e0g s ILE 3 Cb -0.10 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.63 1e0g s ILE 3 CO 0.02 0.54 -0.02 -0.89 0.00 0.00 0.00 174.94 174.59 1e0g s THR 4 N -1.12 0.87 -0.03 2.92 2.01 -1.26 0.13 115.64 119.16 1e0g s THR 4 Ca 0.27 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1e0g s THR 4 Cb -0.18 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1e0g s THR 4 CO 0.16 0.05 -0.23 -0.72 -0.69 0.00 0.00 174.62 173.19 1e0g s TYR 5 N 1.73 2.43 -0.05 4.92 -0.85 -0.40 -4.78 117.35 120.34 1e0g s TYR 5 Ca 0.01 -0.45 -0.22 0.00 -0.52 0.00 0.00 57.07 55.89 1e0g s TYR 5 Cb -0.15 -1.55 -0.04 0.00 0.38 0.00 0.00 41.96 40.59 1e0g s TYR 5 CO -0.07 -0.03 0.65 -0.98 -1.52 0.00 0.00 175.55 173.59 1e0g s ARG 6 N -0.53 4.40 -0.44 -3.49 3.03 -1.26 0.71 118.95 121.38 1e0g s ARG 6 Ca 0.07 0.79 -0.24 0.00 2.03 0.00 0.00 55.73 58.39 1e0g s ARG 6 Cb -0.11 -3.42 0.02 0.00 -1.03 0.00 0.00 34.95 30.42 1e0g s ARG 6 CO 0.00 0.16 0.83 0.08 -1.13 0.00 0.00 175.30 175.24 1e0g s VAL 7 N 0.51 4.60 0.28 4.99 1.01 0.63 -4.88 120.40 127.54 1e0g s VAL 7 Ca 0.34 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.98 1e0g s VAL 7 Cb -0.18 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1e0g s VAL 7 CO 0.17 -0.72 0.42 -0.13 0.00 0.00 0.00 175.10 174.85 1e0g s ARG 8 N 3.42 3.37 0.30 2.72 0.52 -1.26 0.63 118.95 128.65 1e0g s ARG 8 Ca 0.33 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 1e0g s ARG 8 Cb -0.12 -2.83 -0.13 0.00 0.52 0.00 0.00 34.95 32.40 1e0g s ARG 8 CO 0.23 0.28 1.28 1.63 0.02 0.00 0.00 175.30 178.74 1e0g n LYS 9 N -1.54 1.98 -0.32 3.54 5.02 -1.26 -0.33 118.16 125.24 1e0g n LYS 9 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1e0g n LYS 9 Cb 0.57 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 1e0g n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1e0g n GLY 10 N 1.23 1.66 3.86 0.72 0.00 -1.26 -5.02 105.19 106.38 1e0g n GLY 10 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1e0g n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0g s ASP 11 N -3.28 6.63 -0.03 1.61 1.11 0.55 -5.08 116.67 118.18 1e0g s ASP 11 Ca 0.00 1.17 0.05 0.00 0.18 0.00 0.00 52.55 53.96 1e0g s ASP 11 Cb 0.00 -2.34 -0.01 0.00 1.07 0.00 0.00 42.92 41.64 1e0g s ASP 11 CO 0.00 -0.30 -0.19 -0.44 1.18 0.00 0.00 175.17 175.42 1e0g s SER 12 N -2.75 2.28 0.13 0.27 0.01 -1.26 -4.88 113.70 107.49 1e0g s SER 12 Ca 0.52 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1e0g s SER 12 Cb -0.10 -0.43 -0.07 0.00 0.21 0.00 0.00 66.02 65.63 1e0g s SER 12 CO 0.25 0.21 1.58 -0.07 0.41 0.00 0.00 173.24 175.62 1e0g h LEU 13 N 5.92 -1.32 -0.99 2.44 -0.00 -1.99 0.45 115.31 119.82 1e0g h LEU 13 Ca -0.36 0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.67 1e0g h LEU 13 Cb 1.16 0.53 -0.04 0.00 -0.00 0.00 0.00 40.66 42.31 1e0g h LEU 13 CO 0.48 -0.44 0.38 0.77 -0.00 0.00 0.00 178.44 179.63 1e0g h SER 14 N -0.53 0.99 -0.08 -0.43 4.64 -1.96 -1.77 113.55 114.41 1e0g h SER 14 Ca 0.06 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1e0g h SER 14 Cb 0.64 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1e0g h SER 14 CO -0.37 0.83 0.01 -1.28 -0.87 0.00 0.00 176.83 175.15 1e0g h SER 15 N 1.09 -0.02 -0.59 4.97 0.87 -1.51 -1.45 113.55 116.92 1e0g h SER 15 Ca 0.27 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 1e0g h SER 15 Cb 0.10 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1e0g h SER 15 CO -0.04 0.01 0.33 0.40 -0.53 0.00 0.00 176.83 177.00 1e0g h ILE 16 N 0.04 0.99 -0.62 2.23 5.03 0.11 -0.92 117.51 124.38 1e0g h ILE 16 Ca 0.04 -0.22 0.12 0.00 -0.12 0.00 0.00 64.86 64.68 1e0g h ILE 16 Cb 0.04 0.31 -0.09 0.00 -3.03 0.00 0.00 36.82 34.04 1e0g h ILE 16 CO -0.06 0.12 0.10 0.00 -0.68 0.00 0.00 178.15 177.63 1e0g h ALA 17 N 1.30 0.72 -0.99 1.87 0.00 -0.56 0.17 119.26 121.76 1e0g h ALA 17 Ca 0.26 0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.53 1e0g h ALA 17 Cb 0.12 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1e0g h ALA 17 CO -0.15 -0.33 0.63 -0.22 0.00 0.00 0.00 179.25 179.17 1e0g h LYS 18 N 0.23 0.54 -0.43 0.00 1.63 -0.15 0.55 116.57 118.93 1e0g h LYS 18 Ca 0.33 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 60.20 1e0g h LYS 18 Cb 0.51 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1e0g h LYS 18 CO -0.45 0.36 0.30 -0.09 -3.45 0.00 0.00 179.45 176.12 1e0g h ARG 19 N 0.56 0.12 -0.12 1.90 2.43 -0.47 -1.42 114.38 117.37 1e0g h ARG 19 Ca 0.56 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1e0g h ARG 19 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1e0g h ARG 19 CO -0.31 0.08 0.00 0.72 -1.51 0.00 0.00 179.97 178.95 1e0g n HIS 20 N -4.44 0.23 -3.81 2.20 -0.00 0.15 -4.98 115.22 104.57 1e0g n HIS 20 Ca 0.07 -0.63 -0.26 0.00 -0.00 0.00 0.00 57.72 56.89 1e0g n HIS 20 Cb 0.42 -0.09 0.01 0.00 -0.00 0.00 0.00 29.99 30.33 1e0g n HIS 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1e0g n GLY 21 N -0.39 -0.48 3.69 -1.41 0.00 0.12 -4.96 105.19 101.76 1e0g n GLY 21 Ca 0.08 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1e0g n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1e0g s VAL 22 N -3.74 1.71 -0.57 1.61 -7.23 -0.72 -4.83 120.40 106.64 1e0g s VAL 22 Ca 0.15 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1e0g s VAL 22 Cb -0.05 -2.67 0.15 0.00 0.56 0.00 0.00 36.38 34.37 1e0g s VAL 22 CO 0.86 0.00 0.45 0.20 -0.31 0.00 0.00 175.10 176.30 1e0g s ASN 23 N -3.81 5.82 0.60 4.85 0.02 -1.26 -4.59 114.94 116.57 1e0g s ASN 23 Ca 0.25 -2.25 0.29 0.00 -1.02 0.00 0.00 52.86 50.13 1e0g s ASN 23 Cb 0.06 -2.02 1.52 0.00 0.02 0.00 0.00 41.25 40.83 1e0g s ASN 23 CO 0.13 -0.61 1.92 0.40 0.02 0.00 0.00 177.10 178.96 1e0g h ILE 24 N 5.70 0.31 -0.89 0.60 1.08 -1.91 0.97 117.51 123.37 1e0g h ILE 24 Ca -0.12 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 1e0g h ILE 24 Cb 1.04 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1e0g h ILE 24 CO 0.82 0.00 0.48 0.07 -0.69 0.00 0.00 178.15 178.83 1e0g h LYS 25 N 0.00 1.25 -0.83 2.37 2.10 -1.98 0.28 116.57 119.77 1e0g h LYS 25 Ca 0.16 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1e0g h LYS 25 Cb 1.00 -0.24 -0.04 0.00 -0.90 0.00 0.00 32.23 32.05 1e0g h LYS 25 CO -0.00 0.92 0.39 -0.44 -2.00 0.00 0.00 179.45 178.32 1e0g h ASP 26 N 1.25 1.09 -0.68 7.07 3.32 0.56 0.57 116.42 129.60 1e0g h ASP 26 Ca 0.31 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.28 1e0g h ASP 26 Cb 0.04 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.26 1e0g h ASP 26 CO -0.05 0.92 0.38 0.58 -1.72 0.00 0.00 179.24 179.36 1e0g h VAL 27 N 1.18 0.97 0.00 -1.35 2.07 -0.34 0.69 116.25 119.46 1e0g h VAL 27 Ca 0.28 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1e0g h VAL 27 Cb 0.13 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1e0g h VAL 27 CO -0.03 0.13 0.00 0.23 0.02 0.00 0.00 177.57 177.91 1e0g n MET 28 N -4.78 0.17 0.00 1.57 2.81 0.74 -1.54 117.12 116.09 1e0g n MET 28 Ca 0.09 0.30 -0.18 0.00 -1.81 0.00 0.00 57.70 56.10 1e0g n MET 28 Cb 0.18 -1.77 -0.10 0.00 -0.71 0.00 0.00 33.22 30.82 1e0g n MET 28 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1e0g h ARG 29 N 0.00 0.58 0.23 0.03 2.43 0.56 -3.32 114.38 114.88 1e0g h ARG 29 Ca 0.00 -0.55 -0.34 0.00 -0.81 0.00 0.00 59.98 58.27 1e0g h ARG 29 Cb 0.47 0.14 0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1e0g h ARG 29 CO 0.00 1.18 -1.61 -1.49 -1.51 0.00 0.00 179.97 176.54 1e0g h TRP 30 N 0.18 0.87 -2.98 2.20 6.55 -1.08 -3.44 115.95 118.25 1e0g h TRP 30 Ca -0.08 -0.63 -0.63 0.00 0.95 0.00 0.00 58.89 58.50 1e0g h TRP 30 Cb 1.39 -0.03 -0.10 0.00 -0.86 0.00 0.00 29.16 29.56 1e0g h TRP 30 CO 0.12 1.62 -0.49 -0.80 -1.05 0.00 0.00 178.44 177.84 1e0g s ASN 31 N -7.45 6.29 0.00 -3.49 0.01 -0.59 -5.03 114.94 104.68 1e0g s ASN 31 Ca -0.12 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1e0g s ASN 31 Cb 0.05 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.63 1e0g s ASN 31 CO 0.90 0.29 0.00 -1.20 -1.51 0.00 0.00 177.10 175.58 1e0g n SER 32 N 2.80 0.00 -4.55 -1.22 7.64 -1.26 -4.36 113.62 112.66 1e0g n SER 32 Ca -0.18 0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.32 1e0g n SER 32 Cb 0.53 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1e0g n SER 32 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1e0g s ASP 33 N -1.34 5.93 -0.19 6.43 1.01 -1.26 -4.86 116.67 122.40 1e0g s ASP 33 Ca 0.00 -0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.09 1e0g s ASP 33 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1e0g s ASP 33 CO 0.00 -1.95 2.88 0.35 0.21 0.00 0.00 175.17 176.66 1e0g n THR 34 N 6.67 2.93 0.38 -1.27 -2.24 -1.26 -4.44 114.28 115.04 1e0g n THR 34 Ca 0.09 -1.86 0.06 0.00 -2.27 0.00 0.00 64.05 60.07 1e0g n THR 34 Cb 0.50 -1.70 0.25 0.00 -2.10 0.00 0.00 70.33 67.27 1e0g n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e0g n ALA 35 N 1.51 1.51 1.95 6.98 0.00 -1.26 -1.59 120.51 129.60 1e0g n ALA 35 Ca 0.37 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1e0g n ALA 35 Cb 0.69 -1.19 0.86 0.00 0.00 0.00 0.00 19.45 19.81 1e0g n ALA 35 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1e0g n ASN 36 N -1.53 0.15 -3.85 0.00 2.85 -1.26 -4.36 115.26 107.25 1e0g n ASN 36 Ca 0.03 -1.10 -0.42 0.00 -0.11 0.00 0.00 54.58 52.97 1e0g n ASN 36 Cb 0.13 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1e0g n ASN 36 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1e0g n LEU 37 N -0.86 6.63 -4.79 1.20 4.32 -0.62 -4.47 117.00 118.40 1e0g n LEU 37 Ca 0.22 -4.35 -0.22 0.00 -0.02 0.00 0.00 56.01 51.64 1e0g n LEU 37 Cb 0.13 -1.59 -0.05 0.00 -1.62 0.00 0.00 43.42 40.29 1e0g n LEU 37 CO 0.17 1.16 -0.15 -1.10 -1.22 0.00 0.00 177.39 176.25 1e0g s GLN 38 N 2.02 2.58 -1.02 3.23 -0.21 -1.26 -4.99 119.66 120.00 1e0g s GLN 38 Ca 0.44 -1.38 -0.24 0.00 0.02 0.00 0.00 55.36 54.20 1e0g s GLN 38 Cb 0.11 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.71 1e0g s GLN 38 CO -0.04 0.14 1.94 -1.25 -2.12 0.00 0.00 175.29 173.96 1e0g s PRO 39 N -3.91 2.54 0.00 2.91 0.04 -1.24 -1.48 135.00 133.87 1e0g s PRO 39 Ca 0.39 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1e0g s PRO 39 Cb -0.05 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1e0g s PRO 39 CO 0.25 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 174.07 1e0g n GLY 40 N 6.41 1.30 3.61 0.56 0.00 0.20 -4.80 105.19 112.49 1e0g n GLY 40 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1e0g n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0g s ASP 41 N -1.52 4.52 0.56 1.61 1.11 -0.55 -4.86 116.67 117.55 1e0g s ASP 41 Ca 0.00 -0.44 -0.08 0.00 0.18 0.00 0.00 52.55 52.21 1e0g s ASP 41 Cb 0.00 -0.88 -0.03 0.00 1.07 0.00 0.00 42.92 43.07 1e0g s ASP 41 CO 0.00 0.12 0.92 -0.54 1.18 0.00 0.00 175.17 176.85 1e0g s LYS 42 N -2.70 3.50 -0.02 8.23 3.01 -1.26 -0.27 119.74 130.24 1e0g s LYS 42 Ca 0.25 0.45 -0.01 0.00 -1.01 0.00 0.00 55.97 55.66 1e0g s LYS 42 Cb -0.10 -2.22 0.01 0.00 -1.01 0.00 0.00 37.83 34.52 1e0g s LYS 42 CO 0.16 -0.44 0.04 -0.51 0.51 0.00 0.00 175.35 175.11 1e0g s LEU 43 N -4.99 1.57 0.00 3.17 1.43 0.22 -4.77 118.68 115.31 1e0g s LEU 43 Ca 0.52 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 1e0g s LEU 43 Cb -0.11 0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.14 1e0g s LEU 43 CO 0.49 -0.05 1.32 -0.89 0.23 0.00 0.00 176.35 177.45 1e0g s THR 44 N 0.40 3.86 -0.54 5.49 2.01 -1.26 -1.28 115.64 124.33 1e0g s THR 44 Ca -0.03 1.26 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1e0g s THR 44 Cb -0.05 -3.81 0.38 0.00 0.01 0.00 0.00 72.50 69.04 1e0g s THR 44 CO -0.01 0.02 1.11 0.18 -0.69 0.00 0.00 174.62 175.23 1e0g n LEU 45 N 4.99 4.85 0.22 4.42 4.77 0.12 -4.78 117.00 131.58 1e0g n LEU 45 Ca 0.12 -5.40 0.18 0.00 -0.03 0.00 0.00 56.01 50.87 1e0g n LEU 45 Cb 0.45 -0.55 0.80 0.00 -2.33 0.00 0.00 43.42 41.78 1e0g n LEU 45 CO 0.57 2.26 1.15 -0.26 -1.33 0.00 0.00 177.39 179.79 1e0g h PHE 46 N 2.82 0.00 -0.95 -1.77 0.04 -1.92 -3.34 116.94 111.83 1e0g h PHE 46 Ca 0.25 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.36 1e0g h PHE 46 Cb 0.68 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.92 1e0g h PHE 46 CO 0.86 0.00 -0.36 1.33 -0.60 0.00 0.00 178.31 179.54 1e0g n VAL 47 N -3.35 1.42 1.89 -0.55 0.24 -1.26 -4.91 118.33 111.80 1e0g n VAL 47 Ca 0.02 -0.36 0.16 0.00 -2.04 0.00 0.00 64.34 62.12 1e0g n VAL 47 Cb 0.47 0.00 0.85 0.00 -1.47 0.00 0.00 33.84 33.69 1e0g n VAL 47 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98