#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 2.31 0.29 -0.18 2.01 -1.22 -4.65 115.64 114.20 1kls s THR 2 Ca 0.00 -2.10 0.10 0.00 0.31 0.00 0.00 61.69 60.00 1kls s THR 2 Cb 0.00 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1kls s THR 2 CO 0.00 -0.17 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.31 1kls s TYR 3 N -2.60 2.18 0.52 4.92 1.51 -0.78 -4.80 117.35 118.30 1kls s TYR 3 Ca 0.34 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1kls s TYR 3 Cb 0.03 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1kls s TYR 3 CO 0.18 0.56 0.01 -1.14 -1.11 0.00 0.00 175.55 174.05 1kls s GLN 4 N -3.59 2.21 0.40 -0.62 2.00 -1.26 -3.06 119.66 115.73 1kls s GLN 4 Ca 0.29 -2.42 0.08 0.00 -2.00 0.00 0.00 55.36 51.31 1kls s GLN 4 Cb -0.01 -1.47 -0.02 0.00 0.80 0.00 0.00 33.01 32.31 1kls s GLN 4 CO 0.14 -0.40 0.38 0.00 -0.50 0.00 0.00 175.29 174.91 1kls n GLN 6 N -1.55 1.79 0.04 0.00 -0.06 -1.26 -4.69 117.38 111.66 1kls n GLN 6 Ca 0.03 -3.00 0.00 0.00 -2.00 0.00 0.00 57.00 52.04 1kls n GLN 6 Cb 0.61 -1.68 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 1kls n GLN 6 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1kls n TYR 7 N -1.11 -0.82 0.00 3.69 4.01 -1.26 -5.12 117.16 116.55 1kls n TYR 7 Ca 0.22 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1kls n TYR 7 Cb 0.80 0.59 0.00 0.00 -0.31 0.00 0.00 39.34 40.42 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 0.31 -1.17 0.00 -0.00 -1.26 -4.67 120.64 113.84 1kls n GLU 9 Ca 0.00 -1.86 -0.30 0.00 -0.00 0.00 0.00 57.16 55.00 1kls n GLU 9 Cb 0.00 -0.51 0.14 0.00 -0.00 0.00 0.00 31.44 31.07 1kls n GLU 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1kls s LEU 10 N -0.66 2.33 0.05 -1.84 1.98 -1.26 -4.70 118.68 114.58 1kls s LEU 10 Ca 0.22 1.55 0.04 0.00 -2.89 0.00 0.00 54.13 53.05 1kls s LEU 10 Cb 0.24 -3.99 -0.02 0.00 0.66 0.00 0.00 46.19 43.08 1kls s LEU 10 CO -0.08 -2.63 -0.11 0.00 -1.89 0.00 0.00 176.35 171.64 1kls s ARG 11 N -4.91 0.72 0.00 1.98 3.03 -1.26 -0.48 118.95 118.04 1kls s ARG 11 Ca 0.63 -0.77 0.00 0.00 2.03 0.00 0.00 55.73 57.63 1kls s ARG 11 Cb -0.18 -0.65 0.00 0.00 -1.03 0.00 0.00 34.95 33.09 1kls s ARG 11 CO 0.57 0.15 0.00 0.43 -1.13 0.00 0.00 175.30 175.32 1kls n SER 12 N 1.66 3.26 0.00 -2.89 7.64 -1.17 -4.96 113.62 117.16 1kls n SER 12 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1kls n SER 12 Cb 0.55 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1kls n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kls n ALA 13 N -1.67 0.00 -3.42 -0.43 0.00 -1.26 -4.66 120.51 109.07 1kls n ALA 13 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1kls n ALA 13 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 1kls n ALA 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kls n ASP 14 N 0.93 0.21 -2.96 0.00 2.03 -1.26 -1.86 116.55 113.63 1kls n ASP 14 Ca 0.00 -1.50 -0.39 0.00 0.52 0.00 0.00 54.79 53.42 1kls n ASP 14 Cb 0.00 0.33 0.03 0.00 -0.72 0.00 0.00 41.12 40.77 1kls n ASP 14 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1kls n SER 15 N -2.46 7.29 0.00 1.67 2.88 -1.26 -3.86 113.62 117.89 1kls n SER 15 Ca 0.01 -3.82 0.00 0.00 -1.33 0.00 0.00 58.87 53.73 1kls n SER 15 Cb 0.14 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1kls n SER 15 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1kls n SER 16 N -0.49 3.66 -0.53 -3.46 2.88 -1.26 -4.62 113.62 109.81 1kls n SER 16 Ca 0.52 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.14 1kls n SER 16 Cb 0.27 0.13 0.04 0.00 -0.75 0.00 0.00 64.21 63.89 1kls n SER 16 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1kls n ASN 17 N -2.18 2.03 -0.08 -3.46 3.02 -1.25 -4.48 115.26 108.86 1kls n ASN 17 Ca 0.00 -1.52 -0.16 0.00 -0.03 0.00 0.00 54.58 52.88 1kls n ASN 17 Cb 0.43 0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 1kls n ASN 17 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1kls h LEU 18 N 2.58 0.00 -0.87 3.41 5.85 -1.84 -3.15 115.31 121.29 1kls h LEU 18 Ca 0.00 -0.61 0.21 0.00 0.84 0.00 0.00 57.88 58.32 1kls h LEU 18 Cb 0.61 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.49 1kls h LEU 18 CO 0.00 1.16 -0.03 0.07 -0.34 0.00 0.00 178.44 179.30 1kls h LYS 19 N -1.00 0.05 0.94 1.25 2.10 -1.82 -0.35 116.57 117.74 1kls h LYS 19 Ca -0.16 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.44 1kls h LYS 19 Cb 1.02 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1kls h LYS 19 CO -0.10 0.03 -0.46 1.79 -2.00 0.00 0.00 179.45 178.71 1kls h THR 20 N 0.05 0.06 -0.87 0.07 1.35 -1.80 -1.82 112.91 109.96 1kls h THR 20 Ca 0.48 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.48 1kls h THR 20 Cb 0.88 0.06 -0.15 0.00 -1.73 0.00 0.00 68.15 67.21 1kls h THR 20 CO -0.81 0.00 -0.35 -0.74 -0.25 0.00 0.00 175.52 173.38 1kls h HIS 21 N -1.28 -0.95 0.25 4.73 -0.00 -1.08 -1.20 115.15 115.62 1kls h HIS 21 Ca -0.13 0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1kls h HIS 21 Cb 0.98 0.55 -0.04 0.00 -0.00 0.00 0.00 27.41 28.90 1kls h HIS 21 CO -0.02 -0.40 -0.48 0.82 -0.00 0.00 0.00 177.93 177.86 1kls h ILE 22 N -0.05 0.07 -1.03 6.26 2.04 -1.01 0.22 117.51 124.01 1kls h ILE 22 Ca 0.33 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.49 1kls h ILE 22 Cb 0.59 0.07 -0.14 0.00 -0.74 0.00 0.00 36.82 36.61 1kls h ILE 22 CO -0.89 0.00 0.61 0.11 0.00 0.00 0.00 178.15 177.97 1kls h LYS 23 N -0.80 0.37 0.09 2.37 1.57 -0.35 0.31 116.57 120.12 1kls h LYS 23 Ca -0.01 -0.02 -0.36 0.00 -1.87 0.00 0.00 60.65 58.38 1kls h LYS 23 Cb 0.77 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1kls h LYS 23 CO -0.19 0.24 -2.07 2.41 -0.57 0.00 0.00 179.45 179.26 1kls n THR 24 N -4.95 1.71 1.03 -0.16 -1.04 -0.97 -4.09 114.28 105.81 1kls n THR 24 Ca 0.30 -0.66 0.11 0.00 -2.04 0.00 0.00 64.05 61.77 1kls n THR 24 Cb 0.95 -1.58 0.02 0.00 -1.82 0.00 0.00 70.33 67.89 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 -3.39 0.73 0.00 -2.82 4.76 0.04 -4.76 118.16 112.72 1kls n LYS 25 Ca -0.33 -0.58 0.00 0.00 -2.87 0.00 0.00 58.31 54.53 1kls n LYS 25 Cb 1.04 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 1kls n LYS 25 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kls n HIS 26 N -0.63 0.00 0.00 2.13 8.25 -0.00 -4.93 115.22 120.04 1kls n HIS 26 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1kls n HIS 26 Cb 0.41 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 -2.61 0.00 -4.24 0.41 3.41 -0.59 -4.25 113.62 105.74 1kls n SER 27 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1kls n SER 27 Cb 0.27 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1kls n SER 27 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1kls s LYS 28 N -1.99 1.08 -0.49 4.33 2.47 -1.26 -5.08 119.74 118.81 1kls s LYS 28 Ca 0.00 -1.51 0.08 0.00 -1.56 0.00 0.00 55.97 52.98 1kls s LYS 28 Cb 0.00 -0.34 0.36 0.00 -1.46 0.00 0.00 37.83 36.39 1kls s LYS 28 CO 0.00 -0.08 0.90 0.39 0.16 0.00 0.00 175.35 176.71 1kls n GLU 29 N -0.22 2.43 0.00 4.03 -0.58 -1.26 -4.97 120.64 120.07 1kls n GLU 29 Ca -0.08 -4.28 0.00 0.00 -0.42 0.00 0.00 57.16 52.39 1kls n GLU 29 Cb 0.63 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1kls n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28