#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 1.57 -0.90 -0.18 2.01 -1.26 -5.08 115.64 111.80 1kls s THR 2 Ca 0.00 -1.73 -0.07 0.00 0.31 0.00 0.00 61.69 60.20 1kls s THR 2 Cb 0.00 -2.30 0.23 0.00 0.01 0.00 0.00 72.50 70.44 1kls s THR 2 CO 0.00 0.00 0.82 -0.31 -0.69 0.00 0.00 174.62 174.44 1kls s TYR 3 N -2.79 3.89 0.19 4.92 1.51 -1.26 -5.03 117.35 118.78 1kls s TYR 3 Ca 0.24 -2.64 0.10 0.00 -1.01 0.00 0.00 57.07 53.77 1kls s TYR 3 Cb 0.00 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.27 1kls s TYR 3 CO 0.14 -0.88 -0.21 -1.14 -1.11 0.00 0.00 175.55 172.35 1kls s GLN 4 N -0.76 1.42 1.03 -0.62 0.74 -1.26 -0.33 119.66 119.88 1kls s GLN 4 Ca 0.24 -1.49 -0.12 0.00 0.05 0.00 0.00 55.36 54.04 1kls s GLN 4 Cb -0.11 -1.62 0.21 0.00 1.10 0.00 0.00 33.01 32.59 1kls s GLN 4 CO -0.09 0.34 1.07 0.00 -0.55 0.00 0.00 175.29 176.07 1kls n GLN 6 N -4.44 1.12 0.00 0.00 6.02 -1.26 -4.79 117.38 114.03 1kls n GLN 6 Ca 0.06 -2.55 0.00 0.00 -0.01 0.00 0.00 57.00 54.50 1kls n GLN 6 Cb 0.54 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.04 0.00 -0.02 1.08 4.01 -1.26 -5.05 117.16 114.88 1kls n TYR 7 Ca 0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.85 1kls n TYR 7 Cb 0.70 0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 40.19 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 -3.41 0.00 -4.05 0.00 0.28 -1.26 -5.10 120.64 107.10 1kls n GLU 9 Ca -0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.68 1kls n GLU 9 Cb 0.19 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.01 1kls n GLU 9 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1kls s LEU 10 N 0.00 3.92 0.06 -1.84 0.20 -1.26 -4.94 118.68 114.82 1kls s LEU 10 Ca 0.00 -0.06 0.08 0.00 0.69 0.00 0.00 54.13 54.84 1kls s LEU 10 Cb 0.00 -2.53 -0.03 0.00 -0.43 0.00 0.00 46.19 43.20 1kls s LEU 10 CO 0.00 0.07 -0.20 0.00 -0.29 0.00 0.00 176.35 175.93 1kls s ARG 11 N -3.08 1.94 0.41 1.98 1.70 -1.26 -1.07 118.95 119.57 1kls s ARG 11 Ca 0.32 -1.06 0.05 0.00 -0.47 0.00 0.00 55.73 54.56 1kls s ARG 11 Cb -0.10 -2.12 -0.02 0.00 -0.57 0.00 0.00 34.95 32.13 1kls s ARG 11 CO 0.24 0.52 0.16 -1.12 -1.08 0.00 0.00 175.30 174.03 1kls s SER 12 N -1.56 2.69 0.00 -2.89 0.01 0.55 -5.00 113.70 107.49 1kls s SER 12 Ca 0.15 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.68 1kls s SER 12 Cb -0.10 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1kls s SER 12 CO 0.06 -0.99 0.00 0.00 0.41 0.00 0.00 173.24 172.71 1kls n ALA 13 N -0.89 1.97 -2.44 1.44 0.00 -1.26 -4.39 120.51 114.93 1kls n ALA 13 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1kls n ALA 13 Cb 0.64 0.38 -0.10 0.00 0.00 0.00 0.00 19.45 20.37 1kls n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kls s ASP 14 N -3.62 2.83 0.07 0.00 2.15 -1.26 -4.74 116.67 112.09 1kls s ASP 14 Ca 0.00 -1.21 0.08 0.00 0.43 0.00 0.00 52.55 51.84 1kls s ASP 14 Cb 0.00 -0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.40 1kls s ASP 14 CO 0.00 -0.36 -0.17 -0.55 -0.17 0.00 0.00 175.17 173.92 1kls s SER 15 N -3.47 3.91 -0.99 -0.34 0.15 -1.26 -2.64 113.70 109.06 1kls s SER 15 Ca 0.30 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.47 1kls s SER 15 Cb 0.04 -0.63 0.25 0.00 -1.71 0.00 0.00 66.02 63.98 1kls s SER 15 CO 0.13 0.23 2.10 -1.20 1.20 0.00 0.00 173.24 175.69 1kls n SER 16 N 1.24 7.46 -1.43 5.45 7.64 -1.26 -4.96 113.62 127.76 1kls n SER 16 Ca -0.16 -3.55 0.10 0.00 1.01 0.00 0.00 58.87 56.27 1kls n SER 16 Cb 0.52 -1.20 0.33 0.00 -1.01 0.00 0.00 64.21 62.85 1kls n SER 16 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1kls n ASN 17 N 0.33 4.19 -0.07 6.43 5.15 -1.08 -2.84 115.26 127.37 1kls n ASN 17 Ca 0.52 -2.26 -0.14 0.00 -0.60 0.00 0.00 54.58 52.10 1kls n ASN 17 Cb 0.28 -0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 38.96 1kls n ASN 17 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1kls n LEU 18 N 1.24 1.17 -0.19 1.20 0.00 -1.23 -4.37 117.00 114.82 1kls n LEU 18 Ca 0.24 0.20 -0.01 0.00 0.00 0.00 0.00 56.01 56.44 1kls n LEU 18 Cb 0.74 -0.47 0.10 0.00 0.00 0.00 0.00 43.42 43.79 1kls n LEU 18 CO 0.20 0.16 0.96 0.11 0.00 0.00 0.00 177.39 178.82 1kls h LYS 19 N -0.55 0.34 -0.82 1.96 6.56 -1.90 -0.92 116.57 121.25 1kls h LYS 19 Ca -0.31 -0.02 0.16 0.00 -1.06 0.00 0.00 60.65 59.41 1kls h LYS 19 Cb 1.18 -0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 32.61 1kls h LYS 19 CO -0.19 0.23 -0.24 1.15 -2.06 0.00 0.00 179.45 178.34 1kls h THR 20 N 0.35 0.15 0.60 -0.16 2.02 -1.75 0.10 112.91 114.23 1kls h THR 20 Ca 0.29 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 1kls h THR 20 Cb 0.38 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1kls h THR 20 CO -0.32 0.00 -0.34 -0.74 0.37 0.00 0.00 175.52 174.49 1kls h HIS 21 N -0.02 -0.89 -0.67 3.16 -0.00 -1.38 -2.93 115.15 112.42 1kls h HIS 21 Ca 0.38 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.80 1kls h HIS 21 Cb 0.60 0.31 -0.09 0.00 -0.00 0.00 0.00 27.41 28.23 1kls h HIS 21 CO -0.67 -0.52 -0.47 0.82 -0.00 0.00 0.00 177.93 177.09 1kls h ILE 22 N -0.87 0.00 -0.54 6.26 2.04 -0.87 -1.65 117.51 121.88 1kls h ILE 22 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1kls h ILE 22 Cb 0.69 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1kls h ILE 22 CO 0.10 0.00 -0.32 1.17 0.00 0.00 0.00 178.15 179.10 1kls n LYS 23 N -4.82 -0.24 -0.10 2.37 3.00 0.27 -0.40 118.16 118.24 1kls n LYS 23 Ca 0.00 1.15 -0.11 0.00 -0.00 0.00 0.00 58.31 59.36 1kls n LYS 23 Cb 0.23 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 1kls n LYS 23 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1kls h THR 24 N 0.00 1.25 -0.01 3.15 2.02 -1.26 -2.06 112.91 116.00 1kls h THR 24 Ca 0.09 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1kls h THR 24 Cb 0.22 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1kls h THR 24 CO -0.51 0.30 -0.55 0.29 0.37 0.00 0.00 175.52 175.42 1kls n LYS 25 N -4.58 0.49 0.00 6.66 5.02 -0.66 -3.84 118.16 121.25 1kls n LYS 25 Ca -0.03 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1kls n LYS 25 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.95 0.00 -2.26 2.13 8.25 0.46 -4.47 115.22 118.38 1kls n HIS 26 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.32 1kls n HIS 26 Cb 0.37 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.49 1kls n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1kls n SER 27 N -1.97 4.41 0.11 0.41 3.41 -0.90 -4.49 113.62 114.61 1kls n SER 27 Ca 0.00 -3.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 1kls n SER 27 Cb 0.33 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1kls n SER 27 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1kls n LYS 28 N -0.60 0.00 -0.06 4.33 0.00 -0.83 -4.80 118.16 116.20 1kls n LYS 28 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.59 1kls n LYS 28 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.83 1kls n LYS 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1kls n GLU 29 N -3.21 0.31 0.00 1.64 0.28 -1.25 -5.10 120.64 113.31 1kls n GLU 29 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1kls n GLU 29 Cb 0.00 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.66 1kls n GLU 29 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14