#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kls s THR 2 N 0.00 1.87 -0.06 3.15 2.01 -1.26 -4.93 115.64 116.42 1kls s THR 2 Ca 0.00 -2.01 0.05 0.00 0.31 0.00 0.00 61.69 60.04 1kls s THR 2 Cb 0.00 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1kls s THR 2 CO 0.00 -0.02 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.39 1kls s TYR 3 N -2.81 2.53 0.24 4.92 1.51 -0.01 -5.01 117.35 118.72 1kls s TYR 3 Ca 0.35 -0.52 0.11 0.00 -1.01 0.00 0.00 57.07 56.00 1kls s TYR 3 Cb 0.09 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1kls s TYR 3 CO 0.17 -0.08 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.19 1kls s GLN 4 N -0.33 1.56 -0.10 -0.62 2.00 -1.26 -1.18 119.66 119.73 1kls s GLN 4 Ca 0.02 -1.65 -0.03 0.00 -2.00 0.00 0.00 55.36 51.70 1kls s GLN 4 Cb -0.12 -1.67 -0.03 0.00 0.80 0.00 0.00 33.01 31.98 1kls s GLN 4 CO 0.02 0.32 0.02 0.00 -0.50 0.00 0.00 175.29 175.16 1kls n GLN 6 N 2.23 3.24 0.07 0.00 6.02 -1.26 -4.50 117.38 123.19 1kls n GLN 6 Ca -0.19 -4.10 0.00 0.00 -0.01 0.00 0.00 57.00 52.70 1kls n GLN 6 Cb 0.54 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1kls n GLN 6 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1kls n TYR 7 N -0.58 -1.21 0.00 1.08 4.01 -1.26 -5.12 117.16 114.09 1kls n TYR 7 Ca 0.46 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 1kls n TYR 7 Cb 0.62 0.45 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 1kls n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kls n GLU 9 N 0.00 0.00 -0.26 0.00 4.71 -1.26 -4.96 120.64 118.87 1kls n GLU 9 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1kls n GLU 9 Cb 0.00 -0.46 -0.01 0.00 -1.01 0.00 0.00 31.44 29.96 1kls n GLU 9 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1kls n LEU 10 N -2.93 -0.00 -4.11 -4.62 0.00 -1.26 -4.57 117.00 99.51 1kls n LEU 10 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 56.01 56.03 1kls n LEU 10 Cb 0.45 -0.16 -0.13 0.00 0.00 0.00 0.00 43.42 43.57 1kls n LEU 10 CO 0.00 -0.33 -0.45 0.00 0.00 0.00 0.00 177.39 176.61 1kls s ARG 11 N 0.00 0.81 0.37 1.96 1.04 -1.26 -2.72 118.95 119.15 1kls s ARG 11 Ca 0.16 -0.68 0.04 0.00 -1.04 0.00 0.00 55.73 54.21 1kls s ARG 11 Cb -0.22 -0.77 -0.04 0.00 -2.04 0.00 0.00 34.95 31.87 1kls s ARG 11 CO 0.10 0.19 0.09 -1.12 -0.04 0.00 0.00 175.30 174.51 1kls s SER 12 N -1.06 2.63 -0.18 -2.89 0.01 -0.32 -4.99 113.70 106.89 1kls s SER 12 Ca -0.00 -1.52 0.18 0.00 1.31 0.00 0.00 55.95 55.92 1kls s SER 12 Cb -0.07 0.21 0.46 0.00 0.21 0.00 0.00 66.02 66.83 1kls s SER 12 CO 0.01 -0.76 1.16 0.00 0.41 0.00 0.00 173.24 174.06 1kls n ALA 13 N -0.81 3.21 0.08 1.44 0.00 -1.26 -0.83 120.51 122.34 1kls n ALA 13 Ca -0.05 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1kls n ALA 13 Cb 0.66 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1kls n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kls n ASP 14 N -0.40 0.22 0.00 0.00 9.92 -1.26 -4.98 116.55 120.05 1kls n ASP 14 Ca 0.16 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 1kls n ASP 14 Cb 0.92 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 1kls n ASP 14 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1kls n SER 15 N -3.21 0.00 -0.20 -2.24 2.88 -1.26 -4.91 113.62 104.68 1kls n SER 15 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1kls n SER 15 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1kls n SER 15 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1kls h SER 16 N 0.00 -1.68 -0.29 -3.46 0.02 -1.99 -0.63 113.55 105.51 1kls h SER 16 Ca 0.00 0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1kls h SER 16 Cb 0.00 0.73 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 1kls h SER 16 CO 0.00 -0.35 -0.52 -1.13 -1.14 0.00 0.00 176.83 173.68 1kls h ASN 17 N -0.27 -1.72 -0.29 3.07 -1.24 -2.00 -1.66 115.58 111.47 1kls h ASN 17 Ca 0.14 0.22 0.07 0.00 0.71 0.00 0.00 56.30 57.43 1kls h ASN 17 Cb 0.57 0.69 -0.07 0.00 0.73 0.00 0.00 38.32 40.23 1kls h ASN 17 CO -0.67 -0.41 -0.24 0.25 -1.29 0.00 0.00 177.43 175.07 1kls h LEU 18 N -0.45 -0.77 -0.38 0.34 7.12 -1.81 -0.15 115.31 119.21 1kls h LEU 18 Ca 0.05 0.15 0.07 0.00 0.13 0.00 0.00 57.88 58.28 1kls h LEU 18 Cb 0.60 0.37 -0.09 0.00 -0.53 0.00 0.00 40.66 41.01 1kls h LEU 18 CO -0.51 -0.27 -0.39 0.50 -0.13 0.00 0.00 178.44 177.64 1kls h LYS 19 N -0.22 -0.30 -0.40 1.25 3.64 -0.55 -1.01 116.57 118.98 1kls h LYS 19 Ca 0.15 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1kls h LYS 19 Cb 0.46 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1kls h LYS 19 CO -0.41 -0.20 0.14 1.15 -2.27 0.00 0.00 179.45 177.85 1kls h THR 20 N -0.31 0.88 -0.05 1.00 2.02 -0.80 -2.01 112.91 113.64 1kls h THR 20 Ca 0.15 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1kls h THR 20 Cb 0.57 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1kls h THR 20 CO -0.55 0.05 -0.46 -0.74 0.37 0.00 0.00 175.52 174.20 1kls h HIS 21 N 0.30 -1.32 0.41 3.16 -0.00 0.11 -2.57 115.15 115.24 1kls h HIS 21 Ca 0.18 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1kls h HIS 21 Cb 0.17 0.58 -0.03 0.00 -0.00 0.00 0.00 27.41 28.13 1kls h HIS 21 CO -0.15 -0.52 -0.50 0.82 -0.00 0.00 0.00 177.93 177.58 1kls h ILE 22 N -0.58 0.00 -0.23 6.26 2.04 -0.92 -0.50 117.51 123.59 1kls h ILE 22 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1kls h ILE 22 Cb 0.67 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1kls h ILE 22 CO -0.36 0.00 0.43 0.07 0.00 0.00 0.00 178.15 178.28 1kls h LYS 23 N -0.93 0.00 0.02 2.37 2.10 -1.31 -0.31 116.57 118.51 1kls h LYS 23 Ca -0.05 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.22 1kls h LYS 23 Cb 0.83 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.11 1kls h LYS 23 CO -0.11 0.00 -2.17 2.41 -2.00 0.00 0.00 179.45 177.58 1kls n THR 24 N -3.30 1.57 1.04 0.07 -1.04 -0.91 -2.54 114.28 109.17 1kls n THR 24 Ca 0.03 -0.42 0.11 0.00 -2.04 0.00 0.00 64.05 61.73 1kls n THR 24 Cb 0.54 -1.75 0.04 0.00 -1.82 0.00 0.00 70.33 67.34 1kls n THR 24 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1kls n LYS 25 N -3.85 0.59 0.00 -2.82 5.02 -0.24 -3.96 118.16 112.90 1kls n LYS 25 Ca -0.43 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 1kls n LYS 25 Cb 0.91 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 1kls n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kls n HIS 26 N -0.80 0.00 -2.15 2.13 8.25 -0.25 -4.79 115.22 117.61 1kls n HIS 26 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 1kls n HIS 26 Cb 0.39 0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.58 1kls n HIS 26 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1kls n SER 27 N -2.82 5.94 -4.42 0.41 2.88 -0.48 -5.02 113.62 110.12 1kls n SER 27 Ca 0.00 -3.77 -0.33 0.00 -1.33 0.00 0.00 58.87 53.44 1kls n SER 27 Cb 0.43 -0.70 0.13 0.00 -0.75 0.00 0.00 64.21 63.32 1kls n SER 27 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kls n LYS 28 N -0.56 -0.38 -2.99 -1.46 2.85 -1.05 -4.53 118.16 110.04 1kls n LYS 28 Ca 0.47 -0.07 -0.21 0.00 -1.05 0.00 0.00 58.31 57.45 1kls n LYS 28 Cb 0.54 -1.86 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 1kls n LYS 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1kls n GLU 29 N -1.81 1.95 0.00 -1.58 -0.58 -1.26 -5.02 120.64 112.34 1kls n GLU 29 Ca 0.06 -3.95 0.03 0.00 -0.42 0.00 0.00 57.16 52.88 1kls n GLU 29 Cb 0.54 -1.88 0.02 0.00 -0.57 0.00 0.00 31.44 29.56 1kls n GLU 29 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82