#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 3.23 -0.05 -2.24 1.04 -1.26 -4.99 113.70 109.43 1e0g s SER 2 Ca 0.00 -0.46 -0.17 0.00 0.48 0.00 0.00 55.95 55.80 1e0g s SER 2 Cb 0.00 -0.40 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 1e0g s SER 2 CO 0.00 0.31 0.48 -0.63 0.98 0.00 0.00 173.24 174.37 1e0g s ILE 3 N -0.68 5.06 -0.20 -1.02 1.01 -1.26 -4.95 121.20 119.17 1e0g s ILE 3 Ca 0.11 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.73 1e0g s ILE 3 Cb -0.10 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1e0g s ILE 3 CO 0.00 0.44 -0.09 -0.89 0.00 0.00 0.00 174.94 174.40 1e0g s THR 4 N -0.17 1.52 -0.06 2.92 2.01 -1.26 0.17 115.64 120.77 1e0g s THR 4 Ca 0.26 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.36 1e0g s THR 4 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1e0g s THR 4 CO 0.13 0.13 -0.21 -0.72 -0.69 0.00 0.00 174.62 173.26 1e0g s TYR 5 N 1.45 2.52 -0.14 4.92 -0.85 -0.48 -4.79 117.35 119.98 1e0g s TYR 5 Ca -0.01 -0.51 -0.22 0.00 -0.52 0.00 0.00 57.07 55.81 1e0g s TYR 5 Cb -0.16 -1.61 -0.03 0.00 0.38 0.00 0.00 41.96 40.54 1e0g s TYR 5 CO -0.08 -0.07 0.65 -0.98 -1.52 0.00 0.00 175.55 173.55 1e0g s ARG 6 N -0.35 4.31 -0.46 -3.49 1.70 -1.26 0.60 118.95 120.01 1e0g s ARG 6 Ca 0.02 0.72 -0.28 0.00 -0.47 0.00 0.00 55.73 55.72 1e0g s ARG 6 Cb -0.12 -3.52 0.03 0.00 -0.57 0.00 0.00 34.95 30.77 1e0g s ARG 6 CO 0.02 -0.10 1.06 0.08 -1.08 0.00 0.00 175.30 175.28 1e0g s VAL 7 N 1.41 4.33 0.27 4.99 1.01 0.79 -4.86 120.40 128.34 1e0g s VAL 7 Ca 0.32 1.12 0.04 0.00 0.00 0.00 0.00 61.98 63.46 1e0g s VAL 7 Cb -0.16 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 1e0g s VAL 7 CO 0.13 -0.90 0.40 -0.13 0.00 0.00 0.00 175.10 174.61 1e0g s ARG 8 N 4.14 3.41 0.29 2.72 1.81 -1.26 0.68 118.95 130.74 1e0g s ARG 8 Ca 0.44 -0.72 -0.29 0.00 -1.72 0.00 0.00 55.73 53.44 1e0g s ARG 8 Cb -0.09 -2.84 -0.13 0.00 -0.45 0.00 0.00 34.95 31.44 1e0g s ARG 8 CO 0.28 0.34 1.29 0.36 -0.68 0.00 0.00 175.30 176.90 1e0g n LYS 9 N -1.50 1.97 0.00 3.54 -0.00 -1.26 -0.21 118.16 120.70 1e0g n LYS 9 Ca -0.07 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1e0g n LYS 9 Cb 0.57 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.33 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 1.37 2.63 3.76 2.58 0.00 -1.26 -5.02 105.19 109.25 1e0g n GLY 10 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.80 7.60 -0.04 1.61 1.11 0.71 -5.05 116.67 120.81 1e0g s ASP 11 Ca 0.00 1.91 0.04 0.00 0.18 0.00 0.00 52.55 54.69 1e0g s ASP 11 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1e0g s ASP 11 CO 0.00 0.14 -0.15 -0.44 1.18 0.00 0.00 175.17 175.90 1e0g s SER 12 N -1.22 3.95 0.13 0.27 0.01 -1.26 -4.82 113.70 110.76 1e0g s SER 12 Ca 0.41 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1e0g s SER 12 Cb -0.25 -0.79 -0.06 0.00 0.21 0.00 0.00 66.02 65.12 1e0g s SER 12 CO 0.31 0.33 1.58 -0.07 0.41 0.00 0.00 173.24 175.80 1e0g h LEU 13 N 5.26 -1.30 -0.57 2.44 -0.00 -1.99 0.48 115.31 119.62 1e0g h LEU 13 Ca -0.46 0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1e0g h LEU 13 Cb 1.15 0.52 -0.03 0.00 -0.00 0.00 0.00 40.66 42.31 1e0g h LEU 13 CO 0.50 -0.44 0.36 0.28 -0.00 0.00 0.00 178.44 179.14 1e0g h SER 14 N -0.52 0.68 -0.48 -0.43 0.02 -1.96 -1.66 113.55 109.20 1e0g h SER 14 Ca 0.07 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1e0g h SER 14 Cb 0.63 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1e0g h SER 14 CO -0.37 0.52 0.23 -1.28 -1.14 0.00 0.00 176.83 174.79 1e0g h SER 15 N 0.77 0.32 -0.44 3.07 0.87 -1.68 -1.30 113.55 115.16 1e0g h SER 15 Ca 0.21 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1e0g h SER 15 Cb -0.04 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1e0g h SER 15 CO -0.04 0.22 0.24 0.40 -0.53 0.00 0.00 176.83 177.12 1e0g h ILE 16 N 0.45 1.00 -0.61 2.23 5.03 0.29 -1.37 117.51 124.54 1e0g h ILE 16 Ca 0.21 -0.16 0.12 0.00 -0.12 0.00 0.00 64.86 64.91 1e0g h ILE 16 Cb 0.14 0.48 -0.09 0.00 -3.03 0.00 0.00 36.82 34.32 1e0g h ILE 16 CO -0.16 0.09 0.12 0.00 -0.68 0.00 0.00 178.15 177.51 1e0g h ALA 17 N 1.22 0.72 -1.00 1.87 0.00 -0.32 0.15 119.26 121.90 1e0g h ALA 17 Ca 0.18 0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.46 1e0g h ALA 17 Cb 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1e0g h ALA 17 CO -0.11 -0.32 0.63 -0.22 0.00 0.00 0.00 179.25 179.22 1e0g h LYS 18 N 0.24 0.54 -0.45 0.00 3.64 -0.30 0.56 116.57 120.81 1e0g h LYS 18 Ca 0.33 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 1e0g h LYS 18 Cb 0.50 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1e0g h LYS 18 CO -0.43 0.36 0.31 -0.09 -2.27 0.00 0.00 179.45 177.33 1e0g h ARG 19 N 0.55 0.17 -0.16 1.90 9.65 -0.50 -1.41 114.38 124.58 1e0g h ARG 19 Ca 0.57 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.44 1e0g h ARG 19 Cb 1.19 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1e0g h ARG 19 CO -0.32 0.11 0.00 0.72 2.80 0.00 0.00 179.97 183.28 1e0g n HIS 20 N -4.45 0.30 -3.77 2.20 -0.00 0.15 -4.98 115.22 104.68 1e0g n HIS 20 Ca 0.07 -0.62 -0.25 0.00 -0.00 0.00 0.00 57.72 56.92 1e0g n HIS 20 Cb 0.40 -0.09 0.02 0.00 -0.00 0.00 0.00 29.99 30.31 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 -0.26 -0.48 3.67 -1.41 0.00 0.12 -4.96 105.19 101.86 1e0g n GLY 21 Ca 0.09 0.24 -0.30 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 -3.71 1.64 -0.56 1.61 -7.23 -0.71 -4.79 120.40 106.65 1e0g s VAL 22 Ca 0.14 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 1e0g s VAL 22 Cb -0.05 -2.66 0.14 0.00 0.56 0.00 0.00 36.38 34.38 1e0g s VAL 22 CO 0.85 0.00 0.44 0.20 -0.31 0.00 0.00 175.10 176.28 1e0g s ASN 23 N -3.77 5.82 0.62 4.85 -0.87 -1.26 -4.56 114.94 115.76 1e0g s ASN 23 Ca 0.23 -2.21 0.29 0.00 -1.57 0.00 0.00 52.86 49.61 1e0g s ASN 23 Cb 0.07 -2.02 1.54 0.00 -0.02 0.00 0.00 41.25 40.81 1e0g s ASN 23 CO 0.12 -0.62 1.91 0.40 -2.57 0.00 0.00 177.10 176.34 1e0g h ILE 24 N 5.75 0.21 -0.86 0.60 1.08 -1.91 1.00 117.51 123.39 1e0g h ILE 24 Ca -0.13 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1e0g h ILE 24 Cb 1.05 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1e0g h ILE 24 CO 0.83 0.00 0.41 0.07 -0.69 0.00 0.00 178.15 178.77 1e0g h LYS 25 N 0.00 1.23 -0.81 2.37 2.10 -1.97 0.35 116.57 119.83 1e0g h LYS 25 Ca 0.11 -0.18 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 1e0g h LYS 25 Cb 0.90 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.98 1e0g h LYS 25 CO -0.00 0.95 0.35 -0.44 -2.00 0.00 0.00 179.45 178.30 1e0g h ASP 26 N 1.22 1.10 -0.76 7.07 3.32 0.62 0.58 116.42 129.57 1e0g h ASP 26 Ca 0.29 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1e0g h ASP 26 Cb 0.12 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1e0g h ASP 26 CO -0.04 0.96 0.46 0.58 -1.72 0.00 0.00 179.24 179.48 1e0g h VAL 27 N 1.18 1.04 0.00 -1.35 2.07 -0.43 0.63 116.25 119.38 1e0g h VAL 27 Ca 0.27 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1e0g h VAL 27 Cb 0.18 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1e0g h VAL 27 CO -0.03 0.16 0.00 0.23 0.02 0.00 0.00 177.57 177.95 1e0g n MET 28 N -4.68 0.17 0.02 1.57 2.81 0.10 -1.56 117.12 115.55 1e0g n MET 28 Ca 0.10 0.29 -0.18 0.00 -1.81 0.00 0.00 57.70 56.10 1e0g n MET 28 Cb 0.15 -1.76 -0.11 0.00 -0.71 0.00 0.00 33.22 30.79 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 0.53 0.23 0.03 2.43 0.56 -3.33 114.38 114.84 1e0g h ARG 29 Ca 0.00 -0.56 -0.33 0.00 -0.81 0.00 0.00 59.98 58.28 1e0g h ARG 29 Cb 0.48 0.16 0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1e0g h ARG 29 CO 0.00 1.19 -1.48 -1.49 -1.51 0.00 0.00 179.97 176.68 1e0g h TRP 30 N 0.10 0.90 -3.12 2.20 6.55 -1.09 -3.44 115.95 118.05 1e0g h TRP 30 Ca -0.09 -0.66 -0.61 0.00 0.95 0.00 0.00 58.89 58.48 1e0g h TRP 30 Cb 1.45 -0.04 -0.08 0.00 -0.86 0.00 0.00 29.16 29.63 1e0g h TRP 30 CO 0.13 1.57 -0.30 -0.80 -1.05 0.00 0.00 178.44 177.99 1e0g s ASN 31 N -7.48 6.56 -0.20 -3.49 0.01 -0.60 -4.96 114.94 104.78 1e0g s ASN 31 Ca -0.11 0.66 0.13 0.00 -0.71 0.00 0.00 52.86 52.83 1e0g s ASN 31 Cb 0.04 -2.20 -0.23 0.00 0.41 0.00 0.00 41.25 39.27 1e0g s ASN 31 CO 0.92 0.20 0.07 -0.24 -1.51 0.00 0.00 177.10 176.54 1e0g n SER 32 N 2.86 0.59 -3.99 -1.22 2.88 -1.26 -4.46 113.62 109.02 1e0g n SER 32 Ca -0.13 0.02 -0.31 0.00 -1.33 0.00 0.00 58.87 57.12 1e0g n SER 32 Cb 0.52 0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 64.36 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 -5.82 4.68 -0.24 -3.46 1.01 -1.26 -4.97 116.67 106.60 1e0g s ASP 33 Ca -0.15 -2.08 -0.01 0.00 0.71 0.00 0.00 52.55 51.01 1e0g s ASP 33 Cb 0.07 -1.54 0.13 0.00 1.01 0.00 0.00 42.92 42.59 1e0g s ASP 33 CO 0.78 -0.38 2.13 0.35 0.21 0.00 0.00 175.17 178.25 1e0g n THR 34 N 4.32 2.64 0.44 -1.27 -2.24 -1.26 -4.39 114.28 112.52 1e0g n THR 34 Ca 0.03 -1.47 0.06 0.00 -2.27 0.00 0.00 64.05 60.40 1e0g n THR 34 Cb 0.42 -1.42 0.26 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.74 1.58 1.72 6.98 0.00 -1.26 -1.57 120.51 128.70 1e0g n ALA 35 Ca 0.25 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.76 1e0g n ALA 35 Cb 0.57 -1.19 0.60 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.44 0.69 -4.15 0.00 4.13 -1.26 -4.51 115.26 108.71 1e0g n ASN 36 Ca 0.04 -1.40 -0.43 0.00 1.68 0.00 0.00 54.58 54.47 1e0g n ASN 36 Cb 0.13 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1e0g n ASN 36 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1e0g n LEU 37 N -0.39 5.92 -4.79 3.41 4.32 -0.61 -4.58 117.00 120.29 1e0g n LEU 37 Ca 0.18 -4.12 -0.22 0.00 -0.02 0.00 0.00 56.01 51.83 1e0g n LEU 37 Cb 0.20 -1.68 -0.05 0.00 -1.62 0.00 0.00 43.42 40.27 1e0g n LEU 37 CO 0.14 0.71 -0.15 -1.10 -1.22 0.00 0.00 177.39 175.77 1e0g s GLN 38 N 3.23 2.57 -1.06 3.23 -0.21 -1.26 -4.99 119.66 121.17 1e0g s GLN 38 Ca 0.49 -1.39 -0.24 0.00 0.02 0.00 0.00 55.36 54.24 1e0g s GLN 38 Cb 0.08 -2.34 -0.08 0.00 1.00 0.00 0.00 33.01 31.68 1e0g s GLN 38 CO -0.00 0.14 1.95 -1.25 -2.12 0.00 0.00 175.29 174.01 1e0g s PRO 39 N -3.90 2.46 0.00 2.91 0.04 -1.23 -1.46 135.00 133.82 1e0g s PRO 39 Ca 0.38 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1e0g s PRO 39 Cb -0.05 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.34 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 6.25 1.08 3.64 0.56 0.00 0.21 -4.76 105.19 112.17 1e0g n GLY 40 Ca 0.43 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 -1.29 4.71 0.52 1.61 1.11 -0.54 -4.85 116.67 117.94 1e0g s ASP 41 Ca 0.00 -0.34 -0.10 0.00 0.18 0.00 0.00 52.55 52.28 1e0g s ASP 41 Cb 0.00 -1.00 -0.05 0.00 1.07 0.00 0.00 42.92 42.94 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 -2.56 3.68 -0.01 8.23 3.01 -1.26 -0.15 119.74 130.68 1e0g s LYS 42 Ca 0.25 0.57 0.00 0.00 -1.01 0.00 0.00 55.97 55.79 1e0g s LYS 42 Cb -0.10 -2.23 0.01 0.00 -1.01 0.00 0.00 37.83 34.49 1e0g s LYS 42 CO 0.17 -0.31 0.01 -0.51 0.51 0.00 0.00 175.35 175.22 1e0g s LEU 43 N -4.61 1.68 0.05 3.17 1.43 0.20 -4.82 118.68 115.77 1e0g s LEU 43 Ca 0.53 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.33 1e0g s LEU 43 Cb -0.10 -0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.03 1e0g s LEU 43 CO 0.43 -0.04 1.30 -0.89 0.23 0.00 0.00 176.35 177.38 1e0g s THR 44 N 0.37 3.79 -0.50 5.49 2.01 -1.26 -1.38 115.64 124.16 1e0g s THR 44 Ca -0.03 1.24 0.05 0.00 0.31 0.00 0.00 61.69 63.26 1e0g s THR 44 Cb -0.04 -3.80 0.39 0.00 0.01 0.00 0.00 72.50 69.05 1e0g s THR 44 CO -0.01 0.06 1.04 0.18 -0.69 0.00 0.00 174.62 175.19 1e0g n LEU 45 N 4.46 4.55 0.29 4.42 4.77 0.13 -4.79 117.00 130.83 1e0g n LEU 45 Ca 0.11 -5.41 0.18 0.00 -0.03 0.00 0.00 56.01 50.86 1e0g n LEU 45 Cb 0.45 -0.48 0.90 0.00 -2.33 0.00 0.00 43.42 41.95 1e0g n LEU 45 CO 0.57 2.29 1.15 -0.26 -1.33 0.00 0.00 177.39 179.80 1e0g h PHE 46 N 2.76 0.00 -1.20 -1.77 0.04 -1.92 -3.35 116.94 111.50 1e0g h PHE 46 Ca 0.22 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.40 1e0g h PHE 46 Cb 0.74 0.00 0.12 0.00 2.20 0.00 0.00 35.95 39.01 1e0g h PHE 46 CO 0.82 0.00 -0.66 1.33 -0.60 0.00 0.00 178.31 179.20 1e0g n VAL 47 N -3.16 1.25 1.02 -0.55 0.24 -1.26 -4.94 118.33 110.94 1e0g n VAL 47 Ca -0.01 -0.46 0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1e0g n VAL 47 Cb 0.33 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.82 1e0g n VAL 47 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98