#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 0.74 0.06 -0.18 2.01 -1.26 -4.90 115.64 112.11 1kls s THR 2 Ca 0.00 -2.00 0.08 0.00 0.31 0.00 0.00 61.69 60.08 1kls s THR 2 Cb 0.00 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1kls s THR 2 CO 0.00 0.00 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.39 1kls s TYR 3 N -3.46 2.05 0.12 4.92 1.51 -1.15 -4.97 117.35 116.36 1kls s TYR 3 Ca 0.34 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1kls s TYR 3 Cb 0.07 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1kls s TYR 3 CO 0.15 0.14 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.54 1kls s GLN 4 N -1.34 0.93 -0.08 -0.62 0.74 -1.26 -0.84 119.66 117.18 1kls s GLN 4 Ca 0.10 -1.40 -0.06 0.00 0.05 0.00 0.00 55.36 54.05 1kls s GLN 4 Cb -0.09 -0.25 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 1kls s GLN 4 CO 0.02 -0.04 0.16 0.00 -0.55 0.00 0.00 175.29 174.88 1kls n GLN 6 N 1.64 3.47 0.00 0.00 1.13 -1.26 -3.74 117.38 118.62 1kls n GLN 6 Ca -0.17 -4.25 0.00 0.00 -1.94 0.00 0.00 57.00 50.64 1kls n GLN 6 Cb 0.54 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.62 1kls n GLN 6 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1kls n TYR 7 N -0.62 0.00 -0.00 1.08 4.01 -1.26 -4.97 117.16 115.40 1kls n TYR 7 Ca 0.43 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.15 1kls n TYR 7 Cb 0.80 0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.98 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 -3.23 0.00 -0.58 0.00 0.28 -1.25 -5.12 120.64 110.75 1kls n GLU 9 Ca -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.77 1kls n GLU 9 Cb 0.43 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.31 1kls n GLU 9 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1kls n LEU 10 N 0.00 -2.22 -4.43 -1.84 0.00 -1.26 -4.20 117.00 103.05 1kls n LEU 10 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 56.01 55.98 1kls n LEU 10 Cb 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 43.42 42.89 1kls n LEU 10 CO 0.00 -2.59 -0.53 -0.13 0.00 0.00 0.00 177.39 174.14 1kls s ARG 11 N -0.67 1.54 0.00 1.96 0.52 -1.26 -1.12 118.95 119.92 1kls s ARG 11 Ca 0.25 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 1kls s ARG 11 Cb -0.19 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1kls s ARG 11 CO 0.36 0.43 0.00 0.43 0.02 0.00 0.00 175.30 176.54 1kls n SER 12 N 0.55 1.60 -0.02 0.23 7.64 -0.02 -4.98 113.62 118.61 1kls n SER 12 Ca -0.15 -0.29 -0.03 0.00 1.01 0.00 0.00 58.87 59.41 1kls n SER 12 Cb 0.54 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 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 -3.00 1.56 -2.55 -0.43 0.00 -1.26 -4.08 120.51 110.75 1kls n ALA 13 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.83 1kls n ALA 13 Cb 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 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 -5.38 3.15 0.19 0.00 2.15 -1.26 -2.93 116.67 112.59 1kls s ASP 14 Ca -0.11 -1.43 -0.18 0.00 0.43 0.00 0.00 52.55 51.26 1kls s ASP 14 Cb 0.01 -0.09 0.14 0.00 -0.30 0.00 0.00 42.92 42.69 1kls s ASP 14 CO 0.16 -0.60 1.61 -1.28 -0.17 0.00 0.00 175.17 174.89 1kls h SER 15 N 1.88 -0.85 -0.82 -0.34 0.87 -1.96 -1.01 113.55 111.30 1kls h SER 15 Ca -0.42 0.19 0.16 0.00 -1.23 0.00 0.00 61.79 60.49 1kls h SER 15 Cb 1.25 0.46 -0.15 0.00 -0.44 0.00 0.00 62.40 63.52 1kls h SER 15 CO 0.73 -0.26 -0.24 0.77 -0.53 0.00 0.00 176.83 177.30 1kls h SER 16 N -0.12 -0.89 -0.06 6.23 4.64 -2.00 -0.53 113.55 120.82 1kls h SER 16 Ca 0.24 0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.79 1kls h SER 16 Cb 0.50 0.55 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1kls h SER 16 CO -0.60 -0.28 -0.03 -1.13 -0.87 0.00 0.00 176.83 173.92 1kls h ASN 17 N -0.02 0.13 -0.71 4.97 -0.00 -1.63 -2.90 115.58 115.43 1kls h ASN 17 Ca 0.38 -0.43 0.14 0.00 -0.00 0.00 0.00 56.30 56.39 1kls h ASN 17 Cb 0.60 -0.04 -0.13 0.00 -0.00 0.00 0.00 38.32 38.75 1kls h ASN 17 CO -0.85 0.53 -0.18 0.25 -0.00 0.00 0.00 177.43 177.18 1kls h LEU 18 N -0.27 -0.67 -0.21 0.34 6.46 -0.16 0.28 115.31 121.08 1kls h LEU 18 Ca 0.01 0.21 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 1kls h LEU 18 Cb 0.49 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 40.79 1kls h LEU 18 CO 0.01 -0.24 -0.38 0.11 -0.62 0.00 0.00 178.44 177.32 1kls h LYS 19 N -0.00 -0.40 -0.96 1.25 1.57 -1.07 -0.83 116.57 116.13 1kls h LYS 19 Ca 0.34 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.28 1kls h LYS 19 Cb 0.52 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 1kls h LYS 19 CO -0.73 -0.26 -0.44 1.15 -0.57 0.00 0.00 179.45 178.60 1kls h THR 20 N -0.41 0.01 0.06 -0.16 2.02 -0.29 0.17 112.91 114.31 1kls h THR 20 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1kls h THR 20 Cb 0.59 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1kls h THR 20 CO -0.43 0.00 -0.10 -0.74 0.37 0.00 0.00 175.52 174.62 1kls h HIS 21 N -0.02 -0.27 -0.29 3.16 -0.00 -0.09 -2.72 115.15 114.92 1kls h HIS 21 Ca 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.69 1kls h HIS 21 Cb 0.55 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.04 1kls h HIS 21 CO -0.89 -0.12 -0.17 -0.89 -0.00 0.00 0.00 177.93 175.86 1kls n ILE 22 N -2.92 -0.20 -0.31 6.26 2.08 -0.43 -1.66 119.36 122.18 1kls n ILE 22 Ca -0.02 1.73 0.01 0.00 0.56 0.00 0.00 62.75 65.03 1kls n ILE 22 Cb 0.08 -2.24 0.07 0.00 -0.75 0.00 0.00 39.64 36.80 1kls n ILE 22 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1kls n LYS 23 N -3.64 -0.15 -1.48 0.38 4.76 -0.05 -0.06 118.16 117.92 1kls n LYS 23 Ca 0.01 1.28 -0.26 0.00 -2.87 0.00 0.00 58.31 56.47 1kls n LYS 23 Cb 0.08 -1.91 0.08 0.00 -1.84 0.00 0.00 35.03 31.44 1kls n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1kls n THR 24 N -5.27 3.07 0.00 -0.18 -2.24 -0.74 -3.79 114.28 105.12 1kls n THR 24 Ca 0.10 -3.27 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 1kls n THR 24 Cb 0.37 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1kls n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kls n LYS 25 N -0.90 0.00 0.08 -0.78 4.76 -0.42 -4.98 118.16 115.92 1kls n LYS 25 Ca 0.52 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1kls n LYS 25 Cb 0.90 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 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 -1.16 -0.91 0.00 2.13 8.25 0.09 -5.04 115.22 118.57 1kls n HIS 26 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1kls n HIS 26 Cb 0.00 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 -3.38 0.00 0.00 0.41 3.41 0.91 -4.60 113.62 110.36 1kls n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1kls n SER 27 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 -3.64 4.33 4.81 -1.26 -4.34 118.16 118.05 1kls n LYS 28 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1kls n LYS 28 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1kls n LYS 28 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1kls n GLU 29 N 0.00 -0.81 0.00 1.64 0.28 -1.26 -5.14 120.64 115.35 1kls n GLU 29 Ca 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1kls n GLU 29 Cb 0.00 -0.79 0.00 0.00 1.43 0.00 0.00 31.44 32.08 1kls n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60