#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 1.60 -0.02 -0.18 2.01 -1.26 -4.86 115.64 112.93 1kls s THR 2 Ca 0.00 -2.07 0.07 0.00 0.31 0.00 0.00 61.69 60.00 1kls s THR 2 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1kls s THR 2 CO 0.00 -0.14 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.26 1kls s TYR 3 N -3.02 1.95 0.44 4.92 1.51 -0.29 -4.98 117.35 117.88 1kls s TYR 3 Ca 0.33 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1kls s TYR 3 Cb 0.06 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1kls s TYR 3 CO 0.14 -0.03 0.07 -1.14 -1.11 0.00 0.00 175.55 173.48 1kls s GLN 4 N -0.51 2.01 0.28 -0.62 0.74 -1.26 -0.87 119.66 119.43 1kls s GLN 4 Ca 0.08 -2.24 0.07 0.00 0.05 0.00 0.00 55.36 53.33 1kls s GLN 4 Cb -0.08 -1.03 -0.03 0.00 1.10 0.00 0.00 33.01 32.96 1kls s GLN 4 CO -0.01 -0.39 0.22 0.00 -0.55 0.00 0.00 175.29 174.56 1kls n GLN 6 N -1.23 1.62 0.00 0.00 7.27 -1.26 -4.35 117.38 119.43 1kls n GLN 6 Ca -0.06 -3.27 0.00 0.00 0.07 0.00 0.00 57.00 53.74 1kls n GLN 6 Cb 0.59 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.59 1kls n GLN 6 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1kls n TYR 7 N -1.13 0.00 -0.04 3.69 4.01 -1.26 -4.99 117.16 117.44 1kls n TYR 7 Ca 0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.88 1kls n TYR 7 Cb 0.74 0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 40.17 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 -3.25 0.00 -1.52 0.00 -0.58 -1.26 -5.05 120.64 108.98 1kls n GLU 9 Ca -0.14 0.00 -0.50 0.00 -0.42 0.00 0.00 57.16 56.10 1kls n GLU 9 Cb 0.61 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.43 1kls n GLU 9 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1kls n LEU 10 N 0.00 0.57 -4.26 -4.62 0.00 -1.26 -4.12 117.00 103.31 1kls n LEU 10 Ca 0.00 1.15 -0.26 0.00 0.00 0.00 0.00 56.01 56.89 1kls n LEU 10 Cb 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 43.42 42.18 1kls n LEU 10 CO 0.00 -1.84 -0.53 0.00 0.00 0.00 0.00 177.39 175.02 1kls s ARG 11 N -0.55 1.45 0.28 1.96 1.70 -1.26 -1.29 118.95 121.24 1kls s ARG 11 Ca 0.73 -0.95 0.02 0.00 -0.47 0.00 0.00 55.73 55.06 1kls s ARG 11 Cb -0.94 -1.57 -0.01 0.00 -0.57 0.00 0.00 34.95 31.86 1kls s ARG 11 CO 0.55 0.40 0.06 0.45 -1.08 0.00 0.00 175.30 175.68 1kls n SER 12 N 1.88 1.72 -0.02 -2.89 2.88 -0.05 -4.98 113.62 112.17 1kls n SER 12 Ca -0.17 -2.38 0.02 0.00 -1.33 0.00 0.00 58.87 55.01 1kls n SER 12 Cb 0.53 0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 64.47 1kls n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kls n ALA 13 N -1.85 2.61 -4.04 -1.46 0.00 -1.26 -1.13 120.51 113.38 1kls n ALA 13 Ca -0.11 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 1kls n ALA 13 Cb 0.39 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 1kls n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kls n ASP 14 N -1.00 0.24 -2.01 0.00 5.75 -1.26 -4.75 116.55 113.53 1kls n ASP 14 Ca 0.01 -2.59 -0.25 0.00 -0.01 0.00 0.00 54.79 51.96 1kls n ASP 14 Cb 0.08 1.00 0.06 0.00 -1.03 0.00 0.00 41.12 41.23 1kls n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1kls n SER 15 N -1.88 5.43 0.01 -1.12 7.64 -1.26 -4.02 113.62 118.41 1kls n SER 15 Ca 0.01 -3.77 -0.02 0.00 1.01 0.00 0.00 58.87 56.10 1kls n SER 15 Cb 0.44 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 63.08 1kls n SER 15 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1kls n SER 16 N -0.82 0.67 0.01 6.43 2.88 -1.26 -4.46 113.62 117.07 1kls n SER 16 Ca 0.48 0.09 -0.18 0.00 -1.33 0.00 0.00 58.87 57.94 1kls n SER 16 Cb 0.89 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 64.02 1kls n SER 16 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1kls h ASN 17 N -0.11 0.65 0.24 -3.46 -1.24 -2.00 -3.12 115.58 106.52 1kls h ASN 17 Ca -0.04 -0.73 -0.00 0.00 0.71 0.00 0.00 56.30 56.23 1kls h ASN 17 Cb 0.64 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1kls h ASN 17 CO -0.03 1.29 -0.18 0.25 -1.29 0.00 0.00 177.43 177.48 1kls h LEU 18 N 0.07 -0.45 0.04 0.34 7.12 -1.86 -0.51 115.31 120.06 1kls h LEU 18 Ca -0.08 0.03 0.02 0.00 0.13 0.00 0.00 57.88 57.98 1kls h LEU 18 Cb 1.38 0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 41.60 1kls h LEU 18 CO 0.14 -0.27 -0.52 0.50 -0.13 0.00 0.00 178.44 178.15 1kls h LYS 19 N -0.42 -0.66 -0.86 1.25 3.11 -1.78 -1.93 116.57 115.28 1kls h LYS 19 Ca -0.02 0.05 0.15 0.00 -2.81 0.00 0.00 60.65 58.02 1kls h LYS 19 Cb 0.36 0.15 -0.09 0.00 -1.00 0.00 0.00 32.23 31.65 1kls h LYS 19 CO -0.00 -0.44 0.46 1.79 -2.81 0.00 0.00 179.45 178.44 1kls h THR 20 N -0.69 0.74 -0.02 1.00 1.35 -1.47 -2.64 112.91 111.19 1kls h THR 20 Ca 0.01 -0.22 0.02 0.00 -0.55 0.00 0.00 66.41 65.66 1kls h THR 20 Cb 0.72 0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 1kls h THR 20 CO -0.33 0.12 -0.40 -0.74 -0.25 0.00 0.00 175.52 173.92 1kls h HIS 21 N 0.65 -1.17 -0.00 4.73 -0.00 -0.28 -2.32 115.15 116.76 1kls h HIS 21 Ca 0.47 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.90 1kls h HIS 21 Cb 0.65 0.51 -0.06 0.00 -0.00 0.00 0.00 27.41 28.52 1kls h HIS 21 CO -0.08 -0.42 -0.52 0.82 -0.00 0.00 0.00 177.93 177.72 1kls h ILE 22 N -0.49 0.02 -0.83 6.26 5.03 -1.28 -0.29 117.51 125.93 1kls h ILE 22 Ca 0.01 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.90 1kls h ILE 22 Cb 0.53 0.02 -0.15 0.00 -3.03 0.00 0.00 36.82 34.19 1kls h ILE 22 CO -0.27 0.00 -0.26 1.17 -0.68 0.00 0.00 178.15 178.11 1kls n LYS 23 N -5.46 -0.13 0.03 2.37 0.00 -1.02 0.34 118.16 114.29 1kls n LYS 23 Ca -0.07 1.29 -0.22 0.00 0.00 0.00 0.00 58.31 59.31 1kls n LYS 23 Cb 0.40 -1.92 -0.14 0.00 0.00 0.00 0.00 35.03 33.37 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 1.04 -0.00 3.15 2.02 -1.02 -1.55 112.91 116.54 1kls h THR 24 Ca 0.35 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1kls h THR 24 Cb 0.56 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1kls h THR 24 CO -0.84 0.75 -0.32 0.29 0.37 0.00 0.00 175.52 175.78 1kls n LYS 25 N -3.83 0.25 -2.97 6.66 4.01 -0.16 -3.29 118.16 118.83 1kls n LYS 25 Ca -0.24 -0.12 -0.16 0.00 -0.51 0.00 0.00 58.31 57.28 1kls n LYS 25 Cb 0.95 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.96 1kls n LYS 25 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1kls n HIS 26 N -1.27 -1.93 -2.66 2.13 8.25 0.15 -4.90 115.22 115.00 1kls n HIS 26 Ca 0.08 -2.62 -0.03 0.00 -0.26 0.00 0.00 57.72 54.89 1kls n HIS 26 Cb 0.33 0.64 0.10 0.00 1.12 0.00 0.00 29.99 32.18 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 1.62 -1.40 0.00 0.41 3.41 -1.20 -4.26 113.62 112.20 1kls n SER 27 Ca 0.15 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1kls n SER 27 Cb 0.58 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 1kls n SER 27 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1kls n LYS 28 N -1.02 0.00 0.07 4.33 4.76 -0.59 -5.00 118.16 120.71 1kls n LYS 28 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1kls n LYS 28 Cb 0.81 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.00 1kls n LYS 28 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1kls n GLU 29 N 0.97 0.00 0.00 1.97 4.71 -1.26 -4.97 120.64 122.06 1kls n GLU 29 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1kls n GLU 29 Cb 0.00 -0.23 0.01 0.00 -1.01 0.00 0.00 31.44 30.21 1kls n GLU 29 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58