#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 4.57 0.02 -2.24 1.04 -1.26 -5.02 113.70 110.81 1e0g s SER 2 Ca 0.00 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 55.90 1e0g s SER 2 Cb 0.00 -0.93 -0.06 0.00 0.10 0.00 0.00 66.02 65.13 1e0g s SER 2 CO 0.00 0.15 0.47 -0.63 0.98 0.00 0.00 173.24 174.21 1e0g s ILE 3 N -1.37 4.94 -0.16 -1.02 1.01 -1.26 -4.95 121.20 118.39 1e0g s ILE 3 Ca 0.24 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 1e0g s ILE 3 Cb -0.11 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.63 1e0g s ILE 3 CO 0.16 0.56 -0.02 -0.89 0.00 0.00 0.00 174.94 174.74 1e0g s THR 4 N -0.99 0.89 -0.04 2.92 2.01 -1.26 -0.04 115.64 119.13 1e0g s THR 4 Ca 0.26 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1e0g s THR 4 Cb -0.18 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1e0g s THR 4 CO 0.15 0.06 -0.21 -0.72 -0.69 0.00 0.00 174.62 173.21 1e0g s TYR 5 N 1.72 2.49 -0.20 4.92 -0.85 -0.49 -4.77 117.35 120.17 1e0g s TYR 5 Ca 0.01 -0.37 -0.21 0.00 -0.52 0.00 0.00 57.07 55.97 1e0g s TYR 5 Cb -0.15 -1.57 -0.02 0.00 0.38 0.00 0.00 41.96 40.59 1e0g s TYR 5 CO -0.07 0.02 0.65 1.03 -1.52 0.00 0.00 175.55 175.66 1e0g s ARG 6 N -0.58 4.21 -0.45 -3.49 0.52 -1.26 0.72 118.95 118.63 1e0g s ARG 6 Ca 0.08 0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 55.66 1e0g s ARG 6 Cb -0.11 -3.58 0.03 0.00 0.52 0.00 0.00 34.95 31.80 1e0g s ARG 6 CO 0.00 -0.26 1.17 0.08 0.02 0.00 0.00 175.30 176.31 1e0g s VAL 7 N 1.98 4.20 0.26 3.52 1.01 0.82 -4.86 120.40 127.34 1e0g s VAL 7 Ca 0.29 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.57 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 0.10 -0.92 0.39 -0.13 0.00 0.00 0.00 175.10 174.54 1e0g s ARG 8 N 4.42 3.39 0.32 2.72 0.52 -1.26 0.62 118.95 129.68 1e0g s ARG 8 Ca 0.49 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.64 1e0g s ARG 8 Cb -0.09 -2.87 -0.13 0.00 0.52 0.00 0.00 34.95 32.39 1e0g s ARG 8 CO 0.30 0.36 1.26 1.63 0.02 0.00 0.00 175.30 178.87 1e0g n LYS 9 N -1.46 1.99 -0.42 3.54 5.02 -1.26 -0.42 118.16 125.14 1e0g n LYS 9 Ca -0.07 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1e0g n LYS 9 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 1.00 1.45 3.81 0.72 0.00 -1.26 -5.02 105.19 105.89 1e0g n GLY 10 Ca 0.06 0.00 -0.38 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 -3.20 7.06 -0.07 1.61 1.11 0.44 -5.07 116.67 118.54 1e0g s ASP 11 Ca 0.00 1.28 0.03 0.00 0.18 0.00 0.00 52.55 54.03 1e0g s ASP 11 Cb 0.00 -2.36 -0.02 0.00 1.07 0.00 0.00 42.92 41.60 1e0g s ASP 11 CO 0.00 0.23 -0.14 -0.44 1.18 0.00 0.00 175.17 176.00 1e0g s SER 12 N -1.24 4.00 0.14 0.27 0.01 -1.26 -4.86 113.70 110.75 1e0g s SER 12 Ca 0.32 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 1e0g s SER 12 Cb -0.19 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.93 1e0g s SER 12 CO 0.20 0.29 1.60 -0.07 0.41 0.00 0.00 173.24 175.66 1e0g h LEU 13 N 5.79 -1.15 -0.55 2.44 -0.00 -1.99 0.52 115.31 120.38 1e0g h LEU 13 Ca -0.40 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1e0g h LEU 13 Cb 1.17 0.48 -0.03 0.00 -0.00 0.00 0.00 40.66 42.29 1e0g h LEU 13 CO 0.52 -0.38 0.36 -1.28 -0.00 0.00 0.00 178.44 177.66 1e0g h SER 14 N -0.42 0.64 -0.58 -0.43 0.87 -1.96 -1.62 113.55 110.05 1e0g h SER 14 Ca 0.10 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1e0g h SER 14 Cb 0.58 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1e0g h SER 14 CO -0.39 0.47 0.33 -1.28 -0.53 0.00 0.00 176.83 175.42 1e0g h SER 15 N 0.75 0.51 -0.37 6.23 0.87 -1.61 -1.43 113.55 118.50 1e0g h SER 15 Ca 0.20 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1e0g h SER 15 Cb -0.08 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1e0g h SER 15 CO -0.04 0.35 0.19 0.40 -0.53 0.00 0.00 176.83 177.20 1e0g h ILE 16 N 0.64 0.99 -0.60 2.23 5.03 0.43 -1.34 117.51 124.89 1e0g h ILE 16 Ca 0.24 -0.13 0.12 0.00 -0.12 0.00 0.00 64.86 64.97 1e0g h ILE 16 Cb 0.08 0.57 -0.09 0.00 -3.03 0.00 0.00 36.82 34.35 1e0g h ILE 16 CO -0.13 0.07 0.09 0.00 -0.68 0.00 0.00 178.15 177.50 1e0g h ALA 17 N 1.19 0.68 -1.00 1.87 0.00 -0.33 0.14 119.26 121.80 1e0g h ALA 17 Ca 0.15 0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.44 1e0g h ALA 17 Cb 0.05 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 1e0g h ALA 17 CO -0.10 -0.34 0.63 -0.22 0.00 0.00 0.00 179.25 179.22 1e0g h LYS 18 N 0.21 0.52 -0.36 0.00 3.64 -0.29 0.60 116.57 120.88 1e0g h LYS 18 Ca 0.32 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 1e0g h LYS 18 Cb 0.49 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1e0g h LYS 18 CO -0.44 0.34 0.26 -0.09 -2.27 0.00 0.00 179.45 177.25 1e0g h ARG 19 N 0.53 0.04 -0.11 1.90 9.65 -0.48 -1.43 114.38 124.49 1e0g h ARG 19 Ca 0.58 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.45 1e0g h ARG 19 Cb 1.23 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1e0g h ARG 19 CO -0.33 0.02 0.00 0.72 2.80 0.00 0.00 179.97 183.19 1e0g n HIS 20 N -4.44 0.20 -3.78 2.20 -0.00 0.17 -4.98 115.22 104.59 1e0g n HIS 20 Ca 0.06 -0.63 -0.25 0.00 -0.00 0.00 0.00 57.72 56.90 1e0g n HIS 20 Cb 0.42 -0.09 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 -0.44 -0.46 3.69 -1.41 0.00 0.11 -4.97 105.19 101.72 1e0g n GLY 21 Ca 0.08 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 1.68 -0.54 1.61 -7.23 -0.70 -4.81 120.40 106.69 1e0g s VAL 22 Ca 0.13 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1e0g s VAL 22 Cb -0.04 -2.65 0.14 0.00 0.56 0.00 0.00 36.38 34.38 1e0g s VAL 22 CO 0.85 0.00 0.41 0.20 -0.31 0.00 0.00 175.10 176.25 1e0g s ASN 23 N -3.80 5.76 0.64 4.85 0.01 -1.26 -4.55 114.94 116.59 1e0g s ASN 23 Ca 0.24 -2.15 0.30 0.00 -0.71 0.00 0.00 52.86 50.54 1e0g s ASN 23 Cb 0.06 -2.01 1.64 0.00 0.41 0.00 0.00 41.25 41.35 1e0g s ASN 23 CO 0.12 -0.63 1.96 0.40 -1.51 0.00 0.00 177.10 177.44 1e0g h ILE 24 N 5.84 0.13 -0.65 0.60 1.08 -1.90 0.93 117.51 123.53 1e0g h ILE 24 Ca -0.14 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.26 1e0g h ILE 24 Cb 1.05 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1e0g h ILE 24 CO 0.83 0.00 0.13 0.07 -0.69 0.00 0.00 178.15 178.49 1e0g h LYS 25 N 0.00 1.05 -0.81 2.37 2.10 -1.97 0.37 116.57 119.67 1e0g h LYS 25 Ca 0.05 -0.26 -0.04 0.00 -2.00 0.00 0.00 60.65 58.41 1e0g h LYS 25 Cb 0.72 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.88 1e0g h LYS 25 CO -0.00 0.94 0.35 -0.44 -2.00 0.00 0.00 179.45 178.30 1e0g h ASP 26 N 0.99 1.10 -0.31 7.07 3.32 0.46 0.58 116.42 129.62 1e0g h ASP 26 Ca 0.20 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1e0g h ASP 26 Cb 0.39 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1e0g h ASP 26 CO 0.01 0.96 0.10 0.58 -1.72 0.00 0.00 179.24 179.16 1e0g h VAL 27 N 1.17 0.90 0.00 -1.35 2.07 -0.53 0.61 116.25 119.11 1e0g h VAL 27 Ca 0.27 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1e0g h VAL 27 Cb 0.18 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1e0g h VAL 27 CO -0.03 0.04 0.00 0.23 0.02 0.00 0.00 177.57 177.83 1e0g n MET 28 N -5.04 0.12 0.01 1.57 2.81 0.11 -1.54 117.12 115.17 1e0g n MET 28 Ca 0.00 0.37 -0.18 0.00 -1.81 0.00 0.00 57.70 56.08 1e0g n MET 28 Cb 0.12 -1.74 -0.11 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 0.52 0.03 0.03 2.43 0.56 -3.36 114.38 114.59 1e0g h ARG 29 Ca 0.00 -0.54 -0.08 0.00 -0.81 0.00 0.00 59.98 58.55 1e0g h ARG 29 Cb 0.31 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1e0g h ARG 29 CO 0.00 1.17 -0.39 -1.49 -1.51 0.00 0.00 179.97 177.75 1e0g h TRP 30 N 0.08 0.11 -2.98 2.20 6.55 -0.87 -3.44 115.95 117.59 1e0g h TRP 30 Ca -0.09 -0.08 -0.63 0.00 0.95 0.00 0.00 58.89 59.04 1e0g h TRP 30 Cb 1.41 -0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 29.61 1e0g h TRP 30 CO 0.13 1.15 -0.49 0.54 -1.05 0.00 0.00 178.44 178.72 1e0g s ASN 31 N -6.48 6.27 0.00 -3.49 2.20 -0.59 -5.02 114.94 107.84 1e0g s ASN 31 Ca -0.20 0.34 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 1e0g s ASN 31 Cb -0.01 -2.07 0.00 0.00 -2.00 0.00 0.00 41.25 37.17 1e0g s ASN 31 CO 0.70 0.29 0.00 -0.24 -2.94 0.00 0.00 177.10 174.91 1e0g n SER 32 N 2.79 0.00 -4.56 3.54 2.88 -1.26 -4.19 113.62 112.83 1e0g n SER 32 Ca -0.18 0.01 -0.28 0.00 -1.33 0.00 0.00 58.87 57.09 1e0g n SER 32 Cb 0.53 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 1e0g n SER 32 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1e0g s ASP 33 N -1.50 4.97 -0.15 -3.46 1.47 -1.26 -4.80 116.67 111.94 1e0g s ASP 33 Ca 0.00 -0.29 -0.05 0.00 1.18 0.00 0.00 52.55 53.39 1e0g s ASP 33 Cb 0.00 -2.55 -0.15 0.00 -0.34 0.00 0.00 42.92 39.88 1e0g s ASP 33 CO 0.00 -2.83 3.27 0.35 0.68 0.00 0.00 175.17 176.64 1e0g n THR 34 N 7.87 3.06 0.48 2.11 -2.24 -1.26 -4.45 114.28 119.85 1e0g n THR 34 Ca 0.37 -1.94 0.06 0.00 -2.27 0.00 0.00 64.05 60.27 1e0g n THR 34 Cb 0.48 -1.84 0.28 0.00 -2.10 0.00 0.00 70.33 67.15 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 1.91 1.63 1.80 6.98 0.00 -1.26 -1.58 120.51 129.98 1e0g n ALA 35 Ca 0.43 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.97 1e0g n ALA 35 Cb 0.78 -1.21 0.76 0.00 0.00 0.00 0.00 19.45 19.78 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 0.57 -3.87 0.00 4.13 -1.26 -4.43 115.26 108.96 1e0g n ASN 36 Ca 0.04 -1.22 -0.42 0.00 1.68 0.00 0.00 54.58 54.65 1e0g n ASN 36 Cb 0.14 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 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 -0.54 6.58 -4.80 3.41 4.32 -0.61 -4.53 117.00 120.84 1e0g n LEU 37 Ca 0.21 -4.30 -0.22 0.00 -0.02 0.00 0.00 56.01 51.68 1e0g n LEU 37 Cb 0.20 -1.61 -0.05 0.00 -1.62 0.00 0.00 43.42 40.34 1e0g n LEU 37 CO 0.17 1.11 -0.15 -1.10 -1.22 0.00 0.00 177.39 176.20 1e0g s GLN 38 N 2.30 2.62 -1.03 3.23 -1.52 -1.26 -4.99 119.66 119.00 1e0g s GLN 38 Ca 0.45 -1.34 -0.24 0.00 -1.95 0.00 0.00 55.36 52.28 1e0g s GLN 38 Cb 0.11 -2.38 -0.07 0.00 -0.22 0.00 0.00 33.01 30.45 1e0g s GLN 38 CO -0.04 0.17 1.96 -1.25 -0.25 0.00 0.00 175.29 175.87 1e0g s PRO 39 N -3.90 2.47 0.00 2.91 0.04 -1.22 -1.46 135.00 133.82 1e0g s PRO 39 Ca 0.38 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1e0g s PRO 39 Cb -0.05 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.36 1e0g s PRO 39 CO 0.25 -3.73 0.00 0.41 0.04 0.00 0.00 177.00 173.96 1e0g n GLY 40 N 6.37 0.96 3.59 0.56 0.00 0.20 -4.77 105.19 112.11 1e0g n GLY 40 Ca 0.42 0.00 -0.28 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 -1.26 4.42 0.58 1.61 1.11 -0.54 -4.87 116.67 117.72 1e0g s ASP 41 Ca 0.00 -0.46 -0.09 0.00 0.18 0.00 0.00 52.55 52.19 1e0g s ASP 41 Cb 0.00 -0.83 -0.03 0.00 1.07 0.00 0.00 42.92 43.13 1e0g s ASP 41 CO 0.00 0.13 0.94 -1.59 1.18 0.00 0.00 175.17 175.84 1e0g s LYS 42 N -2.57 3.47 -0.02 8.23 0.00 -1.26 -0.13 119.74 127.47 1e0g s LYS 42 Ca 0.24 0.48 -0.01 0.00 0.00 0.00 0.00 55.97 56.68 1e0g s LYS 42 Cb -0.10 -2.19 0.01 0.00 0.00 0.00 0.00 37.83 35.55 1e0g s LYS 42 CO 0.15 -0.49 0.04 -0.51 0.00 0.00 0.00 175.35 174.54 1e0g s LEU 43 N -5.03 1.59 -0.01 2.77 1.43 0.22 -4.79 118.68 114.86 1e0g s LEU 43 Ca 0.53 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 1e0g s LEU 43 Cb -0.11 0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.15 1e0g s LEU 43 CO 0.50 -0.05 1.36 -0.89 0.23 0.00 0.00 176.35 177.49 1e0g s THR 44 N 0.37 3.83 -0.55 5.49 2.01 -1.26 -1.39 115.64 124.14 1e0g s THR 44 Ca -0.03 1.20 0.04 0.00 0.31 0.00 0.00 61.69 63.22 1e0g s THR 44 Cb -0.04 -3.77 0.38 0.00 0.01 0.00 0.00 72.50 69.07 1e0g s THR 44 CO -0.01 -0.00 1.15 0.18 -0.69 0.00 0.00 174.62 175.24 1e0g n LEU 45 N 5.33 4.95 0.23 4.42 4.77 0.94 -4.78 117.00 132.85 1e0g n LEU 45 Ca 0.13 -5.38 0.18 0.00 -0.03 0.00 0.00 56.01 50.90 1e0g n LEU 45 Cb 0.44 -0.58 0.80 0.00 -2.33 0.00 0.00 43.42 41.76 1e0g n LEU 45 CO 0.58 2.24 1.15 -0.26 -1.33 0.00 0.00 177.39 179.77 1e0g h PHE 46 N 2.85 0.00 -0.96 -1.77 0.04 -1.92 -3.35 116.94 111.83 1e0g h PHE 46 Ca 0.26 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.38 1e0g h PHE 46 Cb 0.67 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.92 1e0g h PHE 46 CO 0.88 0.00 -0.44 1.33 -0.60 0.00 0.00 178.31 179.48 1e0g n VAL 47 N -3.32 1.69 1.48 -0.55 0.24 -1.26 -4.92 118.33 111.69 1e0g n VAL 47 Ca 0.02 -0.42 0.14 0.00 -2.04 0.00 0.00 64.34 62.04 1e0g n VAL 47 Cb 0.46 0.00 0.51 0.00 -1.47 0.00 0.00 33.84 33.34 1e0g n VAL 47 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98