#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 5.95 -0.03 -1.12 1.04 -1.26 -4.89 113.70 113.40 1e0g s SER 2 Ca 0.00 0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.55 1e0g s SER 2 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 1e0g s SER 2 CO 0.00 0.32 0.47 -0.63 0.98 0.00 0.00 173.24 174.38 1e0g s ILE 3 N -0.52 5.03 -0.20 -1.02 1.01 -1.25 -4.92 121.20 119.32 1e0g s ILE 3 Ca 0.11 0.96 0.01 0.00 0.00 0.00 0.00 60.65 61.73 1e0g s ILE 3 Cb -0.12 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1e0g s ILE 3 CO 0.02 0.48 -0.11 -0.89 0.00 0.00 0.00 174.94 174.45 1e0g s THR 4 N -0.47 1.70 -0.03 2.92 2.01 -1.26 0.36 115.64 120.88 1e0g s THR 4 Ca 0.26 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.26 1e0g s THR 4 Cb -0.17 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1e0g s THR 4 CO 0.13 0.16 -0.23 -0.72 -0.69 0.00 0.00 174.62 173.27 1e0g s TYR 5 N 1.37 2.42 -0.25 4.92 -0.85 -0.45 -4.79 117.35 119.72 1e0g s TYR 5 Ca -0.02 -0.41 -0.19 0.00 -0.52 0.00 0.00 57.07 55.93 1e0g s TYR 5 Cb -0.16 -1.54 -0.03 0.00 0.38 0.00 0.00 41.96 40.61 1e0g s TYR 5 CO -0.08 -0.01 0.55 1.03 -1.52 0.00 0.00 175.55 175.51 1e0g s ARG 6 N -0.58 4.10 -0.40 -3.49 0.52 -1.26 0.54 118.95 118.39 1e0g s ARG 6 Ca 0.09 0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.41 1e0g s ARG 6 Cb -0.11 -3.63 0.01 0.00 0.52 0.00 0.00 34.95 31.74 1e0g s ARG 6 CO -0.00 -0.33 1.34 0.08 0.02 0.00 0.00 175.30 176.41 1e0g s VAL 7 N 2.23 4.01 0.27 3.52 1.01 0.23 -4.83 120.40 126.83 1e0g s VAL 7 Ca 0.23 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1e0g s VAL 7 Cb -0.16 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1e0g s VAL 7 CO 0.09 -0.74 0.40 -0.13 0.00 0.00 0.00 175.10 174.72 1e0g s ARG 8 N 4.69 3.40 0.33 2.72 1.81 -1.26 0.73 118.95 131.36 1e0g s ARG 8 Ca 0.58 -0.73 -0.28 0.00 -1.72 0.00 0.00 55.73 53.58 1e0g s ARG 8 Cb -0.13 -2.85 -0.13 0.00 -0.45 0.00 0.00 34.95 31.40 1e0g s ARG 8 CO 0.30 0.34 1.25 0.36 -0.68 0.00 0.00 175.30 176.87 1e0g n LYS 9 N -1.49 1.99 0.00 3.54 -0.00 -1.26 -0.25 118.16 120.68 1e0g n LYS 9 Ca -0.07 0.70 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1e0g n LYS 9 Cb 0.57 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.36 1e0g n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1e0g n GLY 10 N 0.92 2.33 3.86 2.58 0.00 -1.26 -5.02 105.19 108.60 1e0g n GLY 10 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.63 6.54 0.06 1.61 1.11 0.65 -5.08 116.67 118.93 1e0g s ASP 11 Ca 0.00 1.31 0.06 0.00 0.18 0.00 0.00 52.55 54.10 1e0g s ASP 11 Cb 0.00 -2.40 -0.03 0.00 1.07 0.00 0.00 42.92 41.56 1e0g s ASP 11 CO 0.00 -0.50 -0.17 -0.44 1.18 0.00 0.00 175.17 175.25 1e0g s SER 12 N -3.19 2.01 0.08 0.27 0.01 -1.26 -4.86 113.70 106.77 1e0g s SER 12 Ca 0.54 -0.55 -0.33 0.00 1.31 0.00 0.00 55.95 56.92 1e0g s SER 12 Cb -0.10 -0.12 -0.16 0.00 0.21 0.00 0.00 66.02 65.85 1e0g s SER 12 CO 0.33 0.04 1.60 -0.07 0.41 0.00 0.00 173.24 175.55 1e0g h LEU 13 N 4.63 -1.02 -0.43 2.44 -0.00 -1.98 0.49 115.31 119.44 1e0g h LEU 13 Ca -0.41 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.53 1e0g h LEU 13 Cb 1.18 0.32 -0.02 0.00 -0.00 0.00 0.00 40.66 42.14 1e0g h LEU 13 CO 0.42 -0.58 0.22 -1.28 -0.00 0.00 0.00 178.44 177.23 1e0g h SER 14 N -0.89 0.56 -0.82 -0.43 0.87 -1.96 -1.53 113.55 109.35 1e0g h SER 14 Ca -0.06 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1e0g h SER 14 Cb 0.75 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 1e0g h SER 14 CO 0.01 0.51 0.51 -1.28 -0.53 0.00 0.00 176.83 176.05 1e0g h SER 15 N 0.56 0.80 -0.47 6.23 0.87 -1.90 -0.87 113.55 118.77 1e0g h SER 15 Ca 0.15 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1e0g h SER 15 Cb 0.09 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1e0g h SER 15 CO -0.02 0.53 0.27 0.40 -0.53 0.00 0.00 176.83 177.47 1e0g h ILE 16 N 0.94 1.16 -0.59 2.23 5.03 0.38 -1.86 117.51 124.80 1e0g h ILE 16 Ca 0.35 -0.39 0.11 0.00 -0.12 0.00 0.00 64.86 64.80 1e0g h ILE 16 Cb 0.13 0.56 -0.08 0.00 -3.03 0.00 0.00 36.82 34.39 1e0g h ILE 16 CO -0.16 0.17 0.13 0.00 -0.68 0.00 0.00 178.15 177.61 1e0g h ALA 17 N 1.12 0.70 -0.97 1.87 0.00 -0.16 0.19 119.26 122.00 1e0g h ALA 17 Ca 0.17 0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.41 1e0g h ALA 17 Cb 0.03 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1e0g h ALA 17 CO -0.03 -0.30 0.62 0.87 0.00 0.00 0.00 179.25 180.41 1e0g h LYS 18 N 0.26 0.52 -0.43 0.00 1.57 -0.46 0.56 116.57 118.59 1e0g h LYS 18 Ca 0.31 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 1e0g h LYS 18 Cb 0.45 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1e0g h LYS 18 CO -0.39 0.34 0.30 -0.09 -0.57 0.00 0.00 179.45 179.05 1e0g h ARG 19 N 0.54 0.12 -0.09 3.15 2.43 -0.38 -1.48 114.38 118.66 1e0g h ARG 19 Ca 0.53 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1e0g h ARG 19 Cb 1.14 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1e0g h ARG 19 CO -0.27 0.08 0.00 0.72 -1.51 0.00 0.00 179.97 178.99 1e0g n HIS 20 N -4.44 0.18 -3.79 2.20 -0.00 0.15 -4.98 115.22 104.54 1e0g n HIS 20 Ca 0.07 -0.67 -0.26 0.00 -0.00 0.00 0.00 57.72 56.86 1e0g n HIS 20 Cb 0.42 -0.10 0.02 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 -0.56 -0.49 3.66 -1.41 0.00 0.15 -4.96 105.19 101.57 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 -3.72 1.66 -0.58 1.61 -7.23 -0.62 -4.82 120.40 106.70 1e0g s VAL 22 Ca 0.15 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 1e0g s VAL 22 Cb -0.05 -2.70 0.15 0.00 0.56 0.00 0.00 36.38 34.34 1e0g s VAL 22 CO 0.86 0.00 0.46 0.20 -0.31 0.00 0.00 175.10 176.30 1e0g s ASN 23 N -3.76 5.83 0.62 4.85 0.02 -1.26 -4.55 114.94 116.69 1e0g s ASN 23 Ca 0.25 -2.27 0.28 0.00 -1.02 0.00 0.00 52.86 50.10 1e0g s ASN 23 Cb 0.07 -2.03 1.44 0.00 0.02 0.00 0.00 41.25 40.76 1e0g s ASN 23 CO 0.13 -0.61 1.84 0.40 0.02 0.00 0.00 177.10 178.88 1e0g h ILE 24 N 5.67 0.22 -0.54 0.60 1.08 -1.91 0.89 117.51 123.53 1e0g h ILE 24 Ca -0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1e0g h ILE 24 Cb 1.04 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1e0g h ILE 24 CO 0.82 0.00 0.27 0.50 -0.69 0.00 0.00 178.15 179.04 1e0g h LYS 25 N 0.00 0.78 -0.94 2.37 3.64 -1.97 0.33 116.57 120.78 1e0g h LYS 25 Ca 0.15 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1e0g h LYS 25 Cb 1.13 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 1e0g h LYS 25 CO -0.00 0.64 0.62 -0.44 -2.27 0.00 0.00 179.45 177.99 1e0g h ASP 26 N 0.73 1.03 -0.78 4.20 3.32 0.39 0.61 116.42 125.92 1e0g h ASP 26 Ca 0.19 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1e0g h ASP 26 Cb 0.11 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1e0g h ASP 26 CO -0.02 0.72 0.49 0.58 -1.72 0.00 0.00 179.24 179.29 1e0g h VAL 27 N 1.20 1.10 0.00 -1.35 2.07 -0.39 0.62 116.25 119.50 1e0g h VAL 27 Ca 0.36 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1e0g h VAL 27 Cb -0.04 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1e0g h VAL 27 CO -0.10 0.17 0.00 0.23 0.02 0.00 0.00 177.57 177.89 1e0g n MET 28 N -4.62 0.13 0.01 1.57 2.81 0.94 -1.48 117.12 116.49 1e0g n MET 28 Ca 0.09 0.29 -0.18 0.00 -1.81 0.00 0.00 57.70 56.10 1e0g n MET 28 Cb 0.10 -1.72 -0.12 0.00 -0.71 0.00 0.00 33.22 30.78 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 0.36 0.17 0.03 2.43 0.54 -3.34 114.38 114.58 1e0g h ARG 29 Ca 0.00 -0.42 -0.31 0.00 -0.81 0.00 0.00 59.98 58.44 1e0g h ARG 29 Cb 0.42 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1e0g h ARG 29 CO 0.00 1.11 -1.44 -1.49 -1.51 0.00 0.00 179.97 176.64 1e0g h TRP 30 N -0.20 0.64 -3.15 2.20 6.55 -1.15 -3.44 115.95 117.40 1e0g h TRP 30 Ca -0.08 -0.47 -0.59 0.00 0.95 0.00 0.00 58.89 58.70 1e0g h TRP 30 Cb 1.34 -0.03 -0.06 0.00 -0.86 0.00 0.00 29.16 29.56 1e0g h TRP 30 CO 0.16 1.43 -0.16 -0.80 -1.05 0.00 0.00 178.44 178.02 1e0g s ASN 31 N -7.24 6.81 -0.07 -3.49 0.01 -0.55 -4.96 114.94 105.47 1e0g s ASN 31 Ca -0.08 0.97 0.17 0.00 -0.71 0.00 0.00 52.86 53.21 1e0g s ASN 31 Cb 0.06 -2.28 -0.26 0.00 0.41 0.00 0.00 41.25 39.18 1e0g s ASN 31 CO 0.89 0.22 0.30 -0.24 -1.51 0.00 0.00 177.10 176.76 1e0g n SER 32 N 2.35 0.86 -3.70 -1.22 2.88 -1.26 -4.54 113.62 108.99 1e0g n SER 32 Ca -0.11 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.13 1e0g n SER 32 Cb 0.52 1.55 -0.14 0.00 -0.75 0.00 0.00 64.21 65.39 1e0g n SER 32 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1e0g s ASP 33 N -4.38 3.86 -0.23 -3.46 1.01 -1.26 -4.98 116.67 107.24 1e0g s ASP 33 Ca -0.07 -1.87 0.01 0.00 0.71 0.00 0.00 52.55 51.33 1e0g s ASP 33 Cb 0.10 -0.85 0.28 0.00 1.01 0.00 0.00 42.92 43.46 1e0g s ASP 33 CO 0.73 -0.38 1.57 0.35 0.21 0.00 0.00 175.17 177.65 1e0g n THR 34 N 4.53 2.19 0.48 -1.27 -2.24 -1.26 -4.33 114.28 112.38 1e0g n THR 34 Ca 0.01 -1.06 0.05 0.00 -2.27 0.00 0.00 64.05 60.79 1e0g n THR 34 Cb 0.40 -0.90 0.26 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.09 1.63 1.59 6.98 0.00 -1.26 -1.59 120.51 127.76 1e0g n ALA 35 Ca 0.28 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1e0g n ALA 35 Cb 0.92 -1.17 0.45 0.00 0.00 0.00 0.00 19.45 19.65 1e0g n ALA 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1e0g n ASN 36 N -1.33 0.88 -4.10 0.00 5.03 -1.26 -4.56 115.26 109.93 1e0g n ASN 36 Ca 0.05 -1.58 -0.41 0.00 0.87 0.00 0.00 54.58 53.51 1e0g n ASN 36 Cb 0.09 -0.06 -0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1e0g n ASN 36 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1e0g n LEU 37 N -0.20 5.36 -4.78 3.41 4.32 -0.62 -4.57 117.00 119.92 1e0g n LEU 37 Ca 0.15 -3.77 -0.22 0.00 -0.02 0.00 0.00 56.01 52.15 1e0g n LEU 37 Cb 0.20 -1.62 -0.05 0.00 -1.62 0.00 0.00 43.42 40.34 1e0g n LEU 37 CO 0.12 0.22 -0.16 -1.10 -1.22 0.00 0.00 177.39 175.25 1e0g s GLN 38 N 4.20 2.57 -1.05 3.23 -1.52 -1.26 -4.99 119.66 120.84 1e0g s GLN 38 Ca 0.53 -1.38 -0.24 0.00 -1.95 0.00 0.00 55.36 52.33 1e0g s GLN 38 Cb 0.09 -2.34 -0.08 0.00 -0.22 0.00 0.00 33.01 30.46 1e0g s GLN 38 CO 0.02 0.16 1.96 -1.25 -0.25 0.00 0.00 175.29 175.94 1e0g s PRO 39 N -3.89 2.44 0.00 2.91 0.04 -1.22 -1.50 135.00 133.79 1e0g s PRO 39 Ca 0.38 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.71 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 0.24 -3.80 0.00 0.41 0.04 0.00 0.00 177.00 173.89 1e0g n GLY 40 N 6.30 0.86 3.66 0.56 0.00 0.22 -4.73 105.19 112.06 1e0g n GLY 40 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.17 4.83 0.49 1.61 1.11 -0.56 -4.86 116.67 118.12 1e0g s ASP 41 Ca 0.00 -0.29 -0.12 0.00 0.18 0.00 0.00 52.55 52.32 1e0g s ASP 41 Cb 0.00 -1.07 -0.06 0.00 1.07 0.00 0.00 42.92 42.86 1e0g s ASP 41 CO 0.00 0.14 0.90 -0.54 1.18 0.00 0.00 175.17 176.85 1e0g s LYS 42 N -2.54 3.77 -0.01 8.23 3.01 -1.26 -0.60 119.74 130.33 1e0g s LYS 42 Ca 0.26 0.66 -0.01 0.00 -1.01 0.00 0.00 55.97 55.87 1e0g s LYS 42 Cb -0.11 -2.24 0.01 0.00 -1.01 0.00 0.00 37.83 34.49 1e0g s LYS 42 CO 0.18 -0.24 0.03 -0.51 0.51 0.00 0.00 175.35 175.31 1e0g s LEU 43 N -4.30 1.58 0.06 3.17 1.43 0.19 -4.86 118.68 115.96 1e0g s LEU 43 Ca 0.54 0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.39 1e0g s LEU 43 Cb -0.10 0.04 -0.06 0.00 0.03 0.00 0.00 46.19 46.10 1e0g s LEU 43 CO 0.37 -0.05 1.28 -0.89 0.23 0.00 0.00 176.35 177.29 1e0g s THR 44 N 0.42 3.81 -0.48 5.49 2.01 -1.26 -1.34 115.64 124.28 1e0g s THR 44 Ca -0.03 1.27 0.06 0.00 0.31 0.00 0.00 61.69 63.30 1e0g s THR 44 Cb -0.05 -3.82 0.39 0.00 0.01 0.00 0.00 72.50 69.03 1e0g s THR 44 CO -0.01 0.08 1.02 0.18 -0.69 0.00 0.00 174.62 175.19 1e0g n LEU 45 N 4.26 4.26 0.25 4.42 4.77 0.16 -4.80 117.00 130.32 1e0g n LEU 45 Ca 0.10 -5.30 0.18 0.00 -0.03 0.00 0.00 56.01 50.95 1e0g n LEU 45 Cb 0.45 -0.39 0.83 0.00 -2.33 0.00 0.00 43.42 41.97 1e0g n LEU 45 CO 0.57 2.25 1.15 -0.26 -1.33 0.00 0.00 177.39 179.77 1e0g h PHE 46 N 2.78 0.00 -0.86 -1.77 0.04 -1.90 -3.33 116.94 111.89 1e0g h PHE 46 Ca 0.20 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.38 1e0g h PHE 46 Cb 0.77 0.00 0.09 0.00 2.20 0.00 0.00 35.95 39.01 1e0g h PHE 46 CO 0.79 0.00 -0.36 1.33 -0.60 0.00 0.00 178.31 179.47 1e0g n VAL 47 N -3.28 1.40 0.72 -0.55 0.24 -1.26 -4.91 118.33 110.70 1e0g n VAL 47 Ca 0.01 -0.35 0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1e0g n VAL 47 Cb 0.42 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.86 1e0g n VAL 47 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98