#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrz s THR 2 N 0.00 3.04 -0.37 0.58 2.01 -1.26 -4.80 115.64 114.84 1xrz s THR 2 Ca 0.00 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.15 1xrz s THR 2 Cb 0.00 -2.88 0.13 0.00 0.01 0.00 0.00 72.50 69.76 1xrz s THR 2 CO 0.00 -0.25 0.20 -0.31 -0.69 0.00 0.00 174.62 173.57 1xrz s TYR 3 N -2.42 1.14 -0.21 4.92 2.02 -0.13 -4.98 117.35 117.69 1xrz s TYR 3 Ca 0.35 -1.78 -0.08 0.00 -0.37 0.00 0.00 57.07 55.18 1xrz s TYR 3 Cb -0.03 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1xrz s TYR 3 CO 0.21 -0.82 0.09 -1.14 -1.57 0.00 0.00 175.55 172.32 1xrz s GLN 4 N 1.04 3.92 0.49 -0.62 -0.44 -1.26 -0.58 119.66 122.21 1xrz s GLN 4 Ca 0.16 -0.36 -0.12 0.00 -2.50 0.00 0.00 55.36 52.54 1xrz s GLN 4 Cb -0.22 -3.32 -0.11 0.00 -1.64 0.00 0.00 33.01 27.72 1xrz s GLN 4 CO -0.06 0.11 -0.28 0.00 0.50 0.00 0.00 175.29 175.56 1xrz n GLN 6 N 1.34 3.65 0.04 0.00 6.02 -1.26 -4.59 117.38 122.58 1xrz n GLN 6 Ca 0.03 -2.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.08 1xrz n GLN 6 Cb 0.36 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1xrz n GLN 6 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1xrz n TYR 7 N -0.01 -0.65 -2.69 1.08 4.01 -1.26 -5.13 117.16 112.50 1xrz n TYR 7 Ca 0.23 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1xrz n TYR 7 Cb 0.99 0.41 0.00 0.00 -0.31 0.00 0.00 39.34 40.42 1xrz n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xrz s GLU 9 N 1.60 3.21 -0.30 0.00 2.12 -1.26 -4.56 118.70 119.51 1xrz s GLU 9 Ca 0.00 -0.77 -0.12 0.00 0.36 0.00 0.00 54.97 54.44 1xrz s GLU 9 Cb 0.00 -3.30 0.17 0.00 0.26 0.00 0.00 34.13 31.26 1xrz s GLU 9 CO 0.00 -0.37 0.93 1.03 -0.54 0.00 0.00 175.26 176.31 1xrz s ARG 11 N 1.51 0.31 0.26 4.30 0.52 -1.26 -4.96 118.95 119.63 1xrz s ARG 11 Ca 0.04 0.68 0.06 0.00 -0.52 0.00 0.00 55.73 55.98 1xrz s ARG 11 Cb -0.16 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.65 1xrz s ARG 11 CO 0.02 -0.22 -0.06 -1.12 0.02 0.00 0.00 175.30 173.93 1xrz s SER 12 N 2.71 2.55 -0.20 0.23 0.01 0.25 -5.00 113.70 114.24 1xrz s SER 12 Ca 0.02 -1.16 0.19 0.00 1.31 0.00 0.00 55.95 56.31 1xrz s SER 12 Cb -0.09 -0.13 0.47 0.00 0.21 0.00 0.00 66.02 66.48 1xrz s SER 12 CO -0.16 -0.34 1.15 0.00 0.41 0.00 0.00 173.24 174.30 1xrz n ALA 13 N -0.51 3.10 0.04 1.44 0.00 -1.26 -0.96 120.51 122.36 1xrz n ALA 13 Ca -0.06 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1xrz n ALA 13 Cb 0.63 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1xrz n ALA 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xrz n ASP 14 N -0.41 0.07 0.00 0.00 2.03 -1.26 -4.90 116.55 112.08 1xrz n ASP 14 Ca 0.15 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1xrz n ASP 14 Cb 0.91 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1xrz n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xrz n SER 15 N -2.81 0.00 -0.33 1.67 7.64 -1.26 -4.93 113.62 113.59 1xrz n SER 15 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1xrz n SER 15 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 1xrz n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xrz n SER 16 N 0.00 -0.25 -0.03 6.43 7.64 -1.26 -0.31 113.62 125.84 1xrz n SER 16 Ca 0.00 1.59 -0.12 0.00 1.01 0.00 0.00 58.87 61.34 1xrz n SER 16 Cb 0.00 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.61 1xrz n SER 16 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1xrz h ASN 17 N 0.00 0.14 -0.65 6.43 -0.73 -2.00 -2.58 115.58 116.19 1xrz h ASN 17 Ca 0.49 -0.37 0.08 0.00 1.87 0.00 0.00 56.30 58.37 1xrz h ASN 17 Cb 0.86 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 39.34 1xrz h ASN 17 CO -0.92 0.48 0.31 0.25 -0.37 0.00 0.00 177.43 177.17 1xrz h LEU 18 N -0.19 0.41 0.31 0.34 5.85 -1.04 -0.29 115.31 120.69 1xrz h LEU 18 Ca 0.02 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xrz h LEU 18 Cb 0.41 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1xrz h LEU 18 CO 0.01 0.25 -0.45 0.50 -0.34 0.00 0.00 178.44 178.40 1xrz h LYS 19 N 0.55 -0.77 -0.66 1.25 3.64 -0.88 0.03 116.57 119.74 1xrz h LYS 19 Ca 0.31 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.86 1xrz h LYS 19 Cb 0.30 0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 32.17 1xrz h LYS 19 CO -0.24 -0.51 -0.32 1.15 -2.27 0.00 0.00 179.45 177.25 1xrz h THR 20 N -0.79 0.16 -0.46 1.00 2.02 -1.00 0.79 112.91 114.62 1xrz h THR 20 Ca -0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1xrz h THR 20 Cb 0.72 0.16 -0.10 0.00 -1.74 0.00 0.00 68.15 67.20 1xrz h THR 20 CO -0.13 0.00 -0.29 -0.74 0.37 0.00 0.00 175.52 174.73 1xrz h HIS 21 N -0.12 -0.78 0.73 3.16 -0.00 -0.38 -2.27 115.15 115.49 1xrz h HIS 21 Ca 0.26 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.66 1xrz h HIS 21 Cb 0.56 0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 1xrz h HIS 21 CO -0.66 -0.36 -0.48 0.82 -0.00 0.00 0.00 177.93 177.25 1xrz h ILE 22 N -0.19 0.03 -1.34 6.26 2.04 0.10 -1.53 117.51 122.88 1xrz h ILE 22 Ca 0.20 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.45 1xrz h ILE 22 Cb 0.52 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1xrz h ILE 22 CO -0.57 0.00 1.23 0.11 0.00 0.00 0.00 178.15 178.92 1xrz h LYS 23 N -1.15 0.00 0.00 2.37 1.79 -0.50 0.11 116.57 119.19 1xrz h LYS 23 Ca -0.10 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.10 1xrz h LYS 23 Cb 0.93 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.53 1xrz h LYS 23 CO 0.07 0.00 -2.06 -2.37 -1.08 0.00 0.00 179.45 174.02 1xrz n THR 24 N -3.56 1.06 0.66 -0.16 5.66 -0.97 -3.61 114.28 113.37 1xrz n THR 24 Ca 0.30 -0.43 0.11 0.00 -3.05 0.00 0.00 64.05 60.98 1xrz n THR 24 Cb 1.64 -1.10 0.04 0.00 -1.55 0.00 0.00 70.33 69.37 1xrz n THR 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xrz n LYS 25 N -2.99 0.23 -0.00 1.09 4.76 -0.60 -4.32 118.16 116.32 1xrz n LYS 25 Ca -0.32 -0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.12 1xrz n LYS 25 Cb 0.87 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1xrz n LYS 25 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xrz n HIS 26 N -1.87 0.00 -1.96 2.13 8.25 0.20 -5.06 115.22 116.91 1xrz n HIS 26 Ca 0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.41 1xrz n HIS 26 Cb 0.41 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.52 1xrz n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1xrz n SER 27 N -1.94 -1.13 0.00 0.41 3.41 -0.06 -4.79 113.62 109.51 1xrz n SER 27 Ca -0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1xrz n SER 27 Cb 0.44 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1xrz n SER 27 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xrz n LYS 28 N -0.35 0.00 -2.73 4.33 4.76 -1.26 -1.62 118.16 121.28 1xrz n LYS 28 Ca -0.04 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.20 1xrz n LYS 28 Cb 0.15 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1xrz n LYS 28 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xrz n GLU 29 N -0.30 2.34 0.00 1.97 2.13 -1.26 -5.21 120.64 120.30 1xrz n GLU 29 Ca 0.00 -4.03 0.00 0.00 0.66 0.00 0.00 57.16 53.79 1xrz n GLU 29 Cb 0.00 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1xrz n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35