#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajj s SER 6 N -3.32 5.11 0.14 0.00 0.01 -1.26 -4.90 113.70 109.47 1ajj s SER 6 Ca 0.62 1.95 -0.34 0.00 1.31 0.00 0.00 55.95 59.48 1ajj s SER 6 Cb -0.18 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.34 1ajj s SER 6 CO 0.56 -1.63 1.12 0.00 0.41 0.00 0.00 173.24 173.70 1ajj n ALA 7 N -2.54 -1.37 0.00 1.44 0.00 -1.26 -2.22 120.51 114.55 1ajj n ALA 7 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1ajj n ALA 7 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1ajj n ALA 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ajj n PHE 8 N 1.50 0.00 -2.13 0.00 3.72 -1.26 -5.00 117.46 114.29 1ajj n PHE 8 Ca 0.16 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.18 1ajj n PHE 8 Cb 0.22 -0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1ajj n PHE 8 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1ajj s GLU 9 N 0.00 3.84 0.12 -1.08 2.02 -0.94 -4.03 118.70 118.63 1ajj s GLU 9 Ca 0.00 1.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.68 1ajj s GLU 9 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.58 1ajj s GLU 9 CO 0.00 -0.54 1.04 0.12 0.02 0.00 0.00 175.26 175.90 1ajj s PHE 10 N -1.37 3.67 -0.41 1.61 5.36 0.45 -4.85 117.98 122.43 1ajj s PHE 10 Ca 0.60 1.65 -0.14 0.00 -0.96 0.00 0.00 56.93 58.08 1ajj s PHE 10 Cb -0.34 -3.19 0.03 0.00 -0.34 0.00 0.00 43.02 39.18 1ajj s PHE 10 CO 0.43 -0.30 0.30 -1.58 -1.46 0.00 0.00 175.22 172.60 1ajj s HIS 11 N 0.13 3.24 0.46 10.12 5.65 -1.26 -1.19 115.29 132.45 1ajj s HIS 11 Ca 0.50 -0.74 -0.25 0.00 0.25 0.00 0.00 55.06 54.82 1ajj s HIS 11 Cb -0.26 -2.67 -0.08 0.00 -1.18 0.00 0.00 32.58 28.39 1ajj s HIS 11 CO 0.31 -0.64 1.43 0.00 -0.65 0.00 0.00 174.74 175.19 1ajj h LEU 13 N 2.24 0.00 0.00 0.00 3.38 -1.94 0.98 115.31 119.97 1ajj h LEU 13 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ajj h LEU 13 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ajj h LEU 13 CO 0.61 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 1ajj n SER 14 N -2.84 0.00 0.00 -0.43 3.41 -1.26 -4.93 113.62 107.57 1ajj n SER 14 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1ajj n SER 14 Cb 0.23 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1ajj n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ajj n GLY 15 N 1.08 1.94 3.83 5.00 0.00 0.34 -5.03 105.19 112.35 1ajj n GLY 15 Ca 0.16 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1ajj n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ajj s GLU 16 N 0.00 3.16 -0.12 1.61 1.03 -1.26 -4.70 118.70 118.43 1ajj s GLU 16 Ca 0.00 0.96 -0.01 0.00 0.03 0.00 0.00 54.97 55.95 1ajj s GLU 16 Cb 0.00 -2.02 -0.02 0.00 -0.80 0.00 0.00 34.13 31.29 1ajj s GLU 16 CO 0.00 -0.92 -0.08 0.00 -1.33 0.00 0.00 175.26 172.93 1ajj s ILE 18 N -0.06 1.58 0.26 0.00 -4.36 -0.33 -4.96 121.20 113.33 1ajj s ILE 18 Ca -0.00 -2.14 -0.30 0.00 -0.26 0.00 0.00 60.65 57.95 1ajj s ILE 18 Cb -0.13 -2.25 -0.14 0.00 1.25 0.00 0.00 42.46 41.18 1ajj s ILE 18 CO 0.03 -0.44 1.20 1.41 0.24 0.00 0.00 174.94 177.38 1ajj n HIS 19 N -0.47 1.70 -0.12 1.37 8.25 -1.26 -0.41 115.22 124.28 1ajj n HIS 19 Ca -0.07 0.60 0.14 0.00 -0.26 0.00 0.00 57.72 58.13 1ajj n HIS 19 Cb 0.62 -2.34 0.51 0.00 1.12 0.00 0.00 29.99 29.90 1ajj n HIS 19 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ajj h SER 20 N 2.93 0.37 0.60 0.41 4.64 -1.90 0.19 113.55 120.80 1ajj h SER 20 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ajj h SER 20 Cb 1.31 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ajj h SER 20 CO 0.67 0.21 0.00 -1.20 -0.87 0.00 0.00 176.83 175.63 1ajj n SER 21 N -4.47 0.38 -0.40 4.97 7.64 -1.26 -2.21 113.62 118.27 1ajj n SER 21 Ca 0.12 0.60 0.14 0.00 1.01 0.00 0.00 58.87 60.74 1ajj n SER 21 Cb 0.46 -0.68 0.54 0.00 -1.01 0.00 0.00 64.21 63.52 1ajj n SER 21 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1ajj n TRP 22 N -1.92 0.00 -2.51 1.43 7.02 0.68 -4.45 117.44 117.68 1ajj n TRP 22 Ca 0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.08 1ajj n TRP 22 Cb 0.20 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.04 1ajj n TRP 22 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1ajj s ARG 23 N -2.08 4.28 -1.32 -0.99 6.06 -0.94 -3.81 118.95 120.15 1ajj s ARG 23 Ca 0.37 1.56 -0.02 0.00 -2.50 0.00 0.00 55.73 55.14 1ajj s ARG 23 Cb 0.21 -3.68 0.01 0.00 0.06 0.00 0.00 34.95 31.55 1ajj s ARG 23 CO 0.36 -0.61 0.77 0.00 -2.50 0.00 0.00 175.30 173.32 1ajj n ASP 25 N -3.04 2.65 0.00 0.00 5.75 -1.25 -5.00 116.55 115.67 1ajj n ASP 25 Ca -0.26 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1ajj n ASP 25 Cb 0.66 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1ajj n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ajj n GLY 26 N 0.88 3.04 3.73 6.12 0.00 -1.26 -5.03 105.19 112.66 1ajj n GLY 26 Ca 0.12 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1ajj n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ajj s GLY 27 N -0.45 2.57 0.00 -0.02 0.00 -1.26 -5.02 107.32 103.13 1ajj s GLY 27 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 1ajj s GLY 27 CO 0.00 1.02 1.60 2.56 0.00 0.00 0.00 173.10 178.28 1ajj s PRO 28 N 0.59 4.21 -0.10 2.90 0.04 -1.26 -4.88 135.00 136.49 1ajj s PRO 28 Ca 0.34 2.20 0.06 0.00 0.04 0.00 0.00 61.00 63.63 1ajj s PRO 28 Cb -0.17 -3.77 -0.10 0.00 0.04 0.00 0.00 34.50 30.50 1ajj s PRO 28 CO 0.16 -0.75 -0.02 -0.25 0.04 0.00 0.00 177.00 176.18 1ajj n ASP 29 N 6.23 2.84 -4.83 6.66 8.00 -1.26 -5.01 116.55 129.18 1ajj n ASP 29 Ca 0.16 -0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 1ajj n ASP 29 Cb 0.42 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 1ajj n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ajj h LYS 31 N 0.96 0.62 -0.54 0.00 1.57 -1.95 -0.63 116.57 116.60 1ajj h LYS 31 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1ajj h LYS 31 Cb 1.19 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ajj h LYS 31 CO 0.61 0.41 0.00 -0.40 -0.57 0.00 0.00 179.45 179.50 1ajj n ASP 32 N -4.48 3.63 -1.57 0.86 5.75 -1.26 -4.95 116.55 114.52 1ajj n ASP 32 Ca 0.09 -1.98 -0.19 0.00 -0.01 0.00 0.00 54.79 52.70 1ajj n ASP 32 Cb 0.24 -0.35 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 1ajj n ASP 32 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ajj n LYS 33 N 1.48 -1.43 0.30 0.11 5.02 -0.24 -4.85 118.16 118.55 1ajj n LYS 33 Ca 0.21 1.14 0.17 0.00 -2.02 0.00 0.00 58.31 57.81 1ajj n LYS 33 Cb 0.59 -5.50 0.91 0.00 -0.02 0.00 0.00 35.03 31.01 1ajj n LYS 33 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ajj h SER 34 N 0.00 0.00 0.51 4.39 4.64 -1.93 -0.77 113.55 120.39 1ajj h SER 34 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1ajj h SER 34 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ajj h SER 34 CO 0.58 0.04 0.00 -2.24 -0.87 0.00 0.00 176.83 174.34 1ajj h ASP 35 N 0.00 0.00 -0.09 4.97 2.03 -1.92 -2.51 116.42 118.90 1ajj h ASP 35 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ajj h ASP 35 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1ajj h ASP 35 CO 0.01 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.60 1ajj n GLU 36 N -2.57 1.01 -2.31 4.15 -0.58 -0.30 -1.37 120.64 118.67 1ajj n GLU 36 Ca 0.00 -1.26 -0.41 0.00 -0.42 0.00 0.00 57.16 55.06 1ajj n GLU 36 Cb 0.17 -1.16 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 1ajj n GLU 36 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1ajj s GLU 37 N -0.76 4.43 -1.24 3.49 0.41 -0.95 -2.80 118.70 121.29 1ajj s GLU 37 Ca 0.11 1.94 -0.06 0.00 -0.41 0.00 0.00 54.97 56.56 1ajj s GLU 37 Cb 0.07 -3.24 0.01 0.00 -1.78 0.00 0.00 34.13 29.19 1ajj s GLU 37 CO 0.10 -0.19 0.73 0.09 -0.49 0.00 0.00 175.26 175.50 1ajj n ASN 38 N 2.81 -5.55 -4.15 -0.19 3.02 -1.26 -5.00 115.26 104.94 1ajj n ASN 38 Ca 0.06 -0.33 -0.33 0.00 -0.03 0.00 0.00 54.58 53.94 1ajj n ASN 38 Cb 0.44 -4.28 -0.16 0.00 -0.61 0.00 0.00 39.78 35.17 1ajj n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64