#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s GLU 5 N 0.00 1.39 -0.10 5.56 2.12 -1.26 -2.10 118.70 124.31 3cpw s GLU 5 Ca 0.00 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 3cpw s GLU 5 Cb 0.00 -1.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.97 3cpw s GLU 5 CO 0.00 0.37 1.78 0.00 -0.54 0.00 0.00 175.26 176.87 3cpw n ASP 7 N 8.12 0.00 -0.00 0.00 8.00 -0.20 -1.68 116.55 130.79 3cpw n ASP 7 Ca 0.20 0.11 -0.00 0.00 0.71 0.00 0.00 54.79 55.80 3cpw n ASP 7 Cb 0.43 -0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3cpw n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cpw n TYR 8 N -1.15 0.00 0.06 1.24 9.36 -1.26 -4.84 117.16 120.57 3cpw n TYR 8 Ca 0.01 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.21 3cpw n TYR 8 Cb 0.01 -0.02 -0.06 0.00 -0.63 0.00 0.00 39.34 38.63 3cpw n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cpw n GLY 10 N 1.36 1.73 3.60 0.00 0.00 -0.68 -0.59 105.19 110.60 3cpw n GLY 10 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3cpw n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cpw s THR 11 N -2.44 1.81 0.26 2.61 -4.23 -1.26 -4.43 115.64 107.96 3cpw s THR 11 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 3cpw s THR 11 Cb 0.00 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.34 3cpw s THR 11 CO 0.00 0.00 0.87 -1.81 -0.54 0.00 0.00 174.62 173.14 3cpw s ASP 12 N -3.48 7.35 -0.40 3.99 1.01 -1.26 -1.14 116.67 122.74 3cpw s ASP 12 Ca 0.68 1.73 -0.20 0.00 0.71 0.00 0.00 52.55 55.47 3cpw s ASP 12 Cb -0.16 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.25 3cpw s ASP 12 CO 0.58 0.04 0.62 -0.63 0.21 0.00 0.00 175.17 176.00 3cpw s ILE 13 N -1.44 4.87 -0.25 0.77 1.01 -0.89 -4.83 121.20 120.45 3cpw s ILE 13 Ca 0.44 0.32 -0.37 0.00 0.00 0.00 0.00 60.65 61.05 3cpw s ILE 13 Cb -0.20 -4.13 -0.13 0.00 0.01 0.00 0.00 42.46 38.01 3cpw s ILE 13 CO 0.25 -0.44 1.93 1.21 0.00 0.00 0.00 174.94 177.89 3cpw n GLU 14 N 6.12 1.43 -1.60 2.79 4.07 -1.26 -4.65 120.64 127.54 3cpw n GLU 14 Ca -0.02 0.49 -0.44 0.00 -0.06 0.00 0.00 57.16 57.14 3cpw n GLU 14 Cb 0.48 -2.38 -0.01 0.00 -0.06 0.00 0.00 31.44 29.47 3cpw n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3cpw n PRO 15 N 6.68 1.44 -1.95 5.31 -0.04 -1.26 -2.18 135.00 143.01 3cpw n PRO 15 Ca 0.30 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3cpw n PRO 15 Cb 0.21 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3cpw n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cpw n GLY 16 N 1.16 0.39 3.54 0.55 0.00 -1.26 -5.04 105.19 104.54 3cpw n GLY 16 Ca 0.09 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 3cpw n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s THR 17 N -2.00 0.00 0.00 2.61 2.01 -0.93 -5.16 115.64 112.17 3cpw s THR 17 Ca 0.00 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.51 3cpw s THR 17 Cb 0.00 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3cpw s THR 17 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3cpw n GLY 18 N -0.38 -1.12 3.07 4.40 0.00 -1.26 -4.90 105.19 105.00 3cpw n GLY 18 Ca -0.01 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 3cpw n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s THR 19 N -1.39 0.46 -0.20 2.61 2.01 -0.73 -5.01 115.64 113.39 3cpw s THR 19 Ca 0.00 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.76 3cpw s THR 19 Cb 0.00 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.74 3cpw s THR 19 CO 0.00 -0.54 -0.18 -0.32 -0.69 0.00 0.00 174.62 172.89 3cpw s MET 20 N -2.12 2.85 -0.20 4.92 1.75 -1.26 -0.22 119.30 125.02 3cpw s MET 20 Ca -0.06 -0.93 -0.15 0.00 -1.25 0.00 0.00 55.69 53.30 3cpw s MET 20 Cb -0.06 -2.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.93 3cpw s MET 20 CO -0.02 -0.28 0.38 0.12 -0.65 0.00 0.00 175.02 174.57 3cpw s PHE 21 N 1.25 3.39 -0.46 4.11 5.36 0.01 -4.91 117.98 126.73 3cpw s PHE 21 Ca 0.02 0.60 -0.17 0.00 -0.96 0.00 0.00 56.93 56.43 3cpw s PHE 21 Cb -0.14 -2.49 0.05 0.00 -0.34 0.00 0.00 43.02 40.09 3cpw s PHE 21 CO -0.11 0.03 0.44 0.08 -1.46 0.00 0.00 175.22 174.19 3cpw s VAL 22 N 1.17 5.13 1.03 3.12 1.01 -1.26 -1.25 120.40 129.35 3cpw s VAL 22 Ca 0.18 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3cpw s VAL 22 Cb -0.14 -4.11 0.21 0.00 0.00 0.00 0.00 36.38 32.34 3cpw s VAL 22 CO 0.07 -0.55 1.07 -1.00 0.00 0.00 0.00 175.10 174.70 3cpw s HIS 23 N 1.97 1.71 0.19 5.22 0.09 -0.21 -4.88 115.29 119.36 3cpw s HIS 23 Ca 0.08 1.31 -0.12 0.00 -0.00 0.00 0.00 55.06 56.34 3cpw s HIS 23 Cb -0.21 -3.18 0.20 0.00 -0.00 0.00 0.00 32.58 29.39 3cpw s HIS 23 CO 0.10 -3.21 1.75 -0.22 -0.00 0.00 0.00 174.74 173.16 3cpw h LYS 24 N -2.15 0.37 0.00 1.40 3.64 -1.97 -1.91 116.57 115.95 3cpw h LYS 24 Ca -0.54 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3cpw h LYS 24 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3cpw h LYS 24 CO 0.50 0.24 0.00 -0.40 -2.27 0.00 0.00 179.45 177.53 3cpw n ASP 25 N -4.99 0.00 0.00 4.20 3.85 -1.26 -4.85 116.55 113.49 3cpw n ASP 25 Ca 0.06 0.07 0.00 0.00 -0.71 0.00 0.00 54.79 54.21 3cpw n ASP 25 Cb 0.21 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 3cpw n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cpw n GLY 26 N 0.47 1.88 3.47 6.12 0.00 -0.72 -5.09 105.19 111.32 3cpw n GLY 26 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3cpw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw n ALA 27 N -0.99 -2.53 -3.27 4.61 0.00 -1.26 -4.66 120.51 112.41 3cpw n ALA 27 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 53.44 52.40 3cpw n ALA 27 Cb 0.00 -1.89 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 3cpw n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cpw s THR 28 N -2.43 0.27 -0.15 0.00 2.01 -1.26 -1.05 115.64 113.03 3cpw s THR 28 Ca 0.62 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 3cpw s THR 28 Cb -0.21 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.05 3cpw s THR 28 CO 0.64 0.12 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.73 3cpw s THR 29 N 0.47 1.16 -0.34 -0.82 2.01 -0.38 -4.98 115.64 112.76 3cpw s THR 29 Ca -0.05 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.22 3cpw s THR 29 Cb -0.08 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 3cpw s THR 29 CO -0.01 0.25 0.63 -1.00 -0.69 0.00 0.00 174.62 173.80 3cpw s HIS 30 N 1.63 3.17 -0.01 4.92 3.76 -1.26 -0.81 115.29 126.69 3cpw s HIS 30 Ca 0.03 0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 3cpw s HIS 30 Cb -0.14 -3.08 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 3cpw s HIS 30 CO -0.08 -0.58 0.11 -0.06 -0.85 0.00 0.00 174.74 173.27 3cpw s PHE 31 N 2.66 3.36 -0.20 1.40 0.40 0.69 -1.03 117.98 125.26 3cpw s PHE 31 Ca 0.24 0.26 0.22 0.00 -0.60 0.00 0.00 56.93 57.05 3cpw s PHE 31 Cb -0.15 -1.77 -0.06 0.00 0.51 0.00 0.00 43.02 41.56 3cpw s PHE 31 CO 0.14 0.58 0.94 0.00 0.70 0.00 0.00 175.22 177.59 3cpw s SER 33 N -5.25 -0.25 0.13 0.00 1.04 -1.26 -4.25 113.70 103.86 3cpw s SER 33 Ca -0.02 -0.64 -0.14 0.00 0.48 0.00 0.00 55.95 55.63 3cpw s SER 33 Cb 0.10 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.94 3cpw s SER 33 CO 0.81 -1.37 1.57 0.77 0.98 0.00 0.00 173.24 176.01 3cpw h SER 34 N 2.00 0.74 -0.62 7.02 4.64 -1.99 -2.56 113.55 122.78 3cpw h SER 34 Ca -0.20 -0.31 0.11 0.00 -0.47 0.00 0.00 61.79 60.92 3cpw h SER 34 Cb 1.25 -0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 63.02 3cpw h SER 34 CO 0.24 0.87 -0.29 0.50 -0.87 0.00 0.00 176.83 177.28 3cpw h LYS 35 N 0.58 -0.11 -0.22 4.77 3.64 -1.98 0.62 116.57 123.86 3cpw h LYS 35 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3cpw h LYS 35 Cb 0.50 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3cpw h LYS 35 CO 0.02 -0.08 0.10 0.00 -2.27 0.00 0.00 179.45 177.23 3cpw h GLU 37 N 0.21 0.14 -0.65 0.00 5.08 -0.66 -1.51 114.58 117.20 3cpw h GLU 37 Ca 0.07 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3cpw h GLU 37 Cb 0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3cpw h GLU 37 CO -0.01 0.09 0.10 -0.91 -1.00 0.00 0.00 179.01 177.29 3cpw h ASN 38 N 0.15 1.02 -0.17 1.42 2.35 0.29 -1.10 115.58 119.53 3cpw h ASN 38 Ca 0.17 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3cpw h ASN 38 Cb 0.22 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3cpw h ASN 38 CO -0.26 1.01 -0.13 0.78 -1.65 0.00 0.00 177.43 177.18 3cpw h ASN 39 N 1.00 0.54 -0.22 5.81 4.21 -0.95 -2.62 115.58 123.34 3cpw h ASN 39 Ca 0.20 -0.15 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 3cpw h ASN 39 Cb 0.43 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3cpw h ASN 39 CO 0.01 0.70 0.03 0.00 -1.29 0.00 0.00 177.43 176.88 3cpw h ALA 40 N 1.36 0.30 0.00 -0.83 0.00 -0.86 -2.34 119.26 116.89 3cpw h ALA 40 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3cpw h ALA 40 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3cpw h ALA 40 CO 0.03 -0.02 0.00 -0.44 0.00 0.00 0.00 179.25 178.82 3cpw h ASP 41 N 0.17 0.00 0.01 0.00 3.32 -0.89 0.42 116.42 119.45 3cpw h ASP 41 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3cpw h ASP 41 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3cpw h ASP 41 CO 0.01 0.00 -0.01 0.18 -1.72 0.00 0.00 179.24 177.70 3cpw n LEU 42 N -2.79 0.77 0.00 1.55 4.77 -0.90 -4.89 117.00 115.51 3cpw n LEU 42 Ca -0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3cpw n LEU 42 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3cpw n LEU 42 CO 0.16 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3cpw n GLY 43 N 1.10 0.48 3.80 -0.72 0.00 0.15 -5.03 105.19 104.96 3cpw n GLY 43 Ca 0.21 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3cpw n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cpw s ARG 44 N -0.74 4.38 -0.22 1.61 0.52 -1.08 -5.05 118.95 118.38 3cpw s ARG 44 Ca 0.00 1.05 -0.07 0.00 -0.52 0.00 0.00 55.73 56.18 3cpw s ARG 44 Cb 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 3cpw s ARG 44 CO 0.00 0.35 0.07 -1.21 0.02 0.00 0.00 175.30 174.53 3cpw s GLU 45 N -2.00 3.81 0.50 3.54 2.02 -1.26 -4.47 118.70 120.84 3cpw s GLU 45 Ca 0.46 -0.42 0.38 0.00 0.02 0.00 0.00 54.97 55.41 3cpw s GLU 45 Cb -0.17 -3.27 1.54 0.00 0.10 0.00 0.00 34.13 32.33 3cpw s GLU 45 CO 0.22 0.04 1.65 0.00 0.02 0.00 0.00 175.26 177.19 3cpw h ALA 46 N 7.47 3.18 0.00 5.21 0.00 -1.95 0.11 119.26 133.28 3cpw h ALA 46 Ca -0.37 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3cpw h ALA 46 Cb 1.17 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3cpw h ALA 46 CO 0.63 -1.71 -0.17 0.00 0.00 0.00 0.00 179.25 178.00 3cpw h ARG 47 N 0.06 0.00 -0.02 0.00 3.08 -1.92 -2.54 114.38 113.04 3cpw h ARG 47 Ca 0.79 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.84 3cpw h ARG 47 Cb 2.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.91 3cpw h ARG 47 CO -0.19 0.17 -0.03 0.09 -1.07 0.00 0.00 179.97 178.94 3cpw n ASN 48 N -4.28 1.54 -4.39 7.04 3.02 0.37 -4.40 115.26 114.16 3cpw n ASN 48 Ca -0.02 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.65 3cpw n ASN 48 Cb 0.24 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 3cpw n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cpw s LEU 49 N -2.06 5.08 0.48 3.41 1.43 -0.96 -4.99 118.68 121.06 3cpw s LEU 49 Ca 0.36 -1.11 0.24 0.00 -1.03 0.00 0.00 54.13 52.59 3cpw s LEU 49 Cb 0.21 -2.09 1.28 0.00 0.03 0.00 0.00 46.19 45.61 3cpw s LEU 49 CO 0.36 -0.48 1.87 -0.33 0.23 0.00 0.00 176.35 178.00 3cpw h GLU 50 N 8.55 0.20 0.00 1.70 5.08 -1.85 -0.59 114.58 127.67 3cpw h GLU 50 Ca -0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3cpw h GLU 50 Cb 1.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3cpw h GLU 50 CO 0.74 0.13 0.00 -2.67 -1.00 0.00 0.00 179.01 176.21 3cpw n TRP 51 N -4.40 0.64 -2.47 4.33 4.27 -1.26 -4.57 117.44 113.97 3cpw n TRP 51 Ca 0.19 0.22 -0.42 0.00 -3.89 0.00 0.00 57.50 53.60 3cpw n TRP 51 Cb 0.82 -0.86 -0.03 0.00 -1.36 0.00 0.00 31.31 29.88 3cpw n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 3cpw s THR 52 N -3.17 4.22 0.23 -1.67 2.01 -0.23 -4.93 115.64 112.09 3cpw s THR 52 Ca 0.08 1.58 -0.07 0.00 0.31 0.00 0.00 61.69 63.58 3cpw s THR 52 Cb 0.11 -4.01 0.21 0.00 0.01 0.00 0.00 72.50 68.82 3cpw s THR 52 CO 0.45 0.08 1.69 0.44 -0.69 0.00 0.00 174.62 176.59 3cpw h ASP 53 N 7.02 -0.01 -0.23 3.53 5.19 -1.79 0.11 116.42 130.24 3cpw h ASP 53 Ca -0.39 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.20 3cpw h ASP 53 Cb 1.20 0.19 -0.07 0.00 0.18 0.00 0.00 39.33 40.82 3cpw h ASP 53 CO 0.83 -0.02 -0.49 0.74 -3.12 0.00 0.00 179.24 177.17 3cpw h THR 54 N 0.26 0.06 -0.77 0.35 2.02 -1.17 0.40 112.91 114.06 3cpw h THR 54 Ca 0.38 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.66 3cpw h THR 54 Cb 0.61 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 3cpw h THR 54 CO -0.48 0.00 0.41 0.00 0.37 0.00 0.00 175.52 175.82 3cpw h ALA 55 N 0.01 1.10 0.00 6.16 0.00 -1.25 -3.48 119.26 121.80 3cpw h ALA 55 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cpw h ALA 55 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3cpw h ALA 55 CO -0.48 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.30