#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 0.64 0.15 -0.18 -4.23 -1.26 -4.73 115.64 106.04 1xrz s THR 2 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1xrz s THR 2 Cb 0.00 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1xrz s THR 2 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 1xrz s TYR 3 N -3.44 2.49 -0.01 3.99 1.51 -0.20 -4.94 117.35 116.74 1xrz s TYR 3 Ca 0.33 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 1xrz s TYR 3 Cb 0.06 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1xrz s TYR 3 CO 0.16 0.45 -0.17 -0.65 -1.11 0.00 0.00 175.55 174.22 1xrz s GLN 4 N -2.46 2.29 1.31 -0.62 -1.52 -1.26 -2.14 119.66 115.26 1xrz s GLN 4 Ca 0.20 -0.84 -0.18 0.00 -1.95 0.00 0.00 55.36 52.60 1xrz s GLN 4 Cb -0.09 -2.27 0.34 0.00 -0.22 0.00 0.00 33.01 30.77 1xrz s GLN 4 CO 0.11 0.58 0.97 0.00 -0.25 0.00 0.00 175.29 176.70 1xrz n GLN 6 N -5.35 0.66 -0.08 0.00 6.02 -1.26 -4.64 117.38 112.73 1xrz n GLN 6 Ca 0.07 0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 57.06 1xrz n GLN 6 Cb 0.57 -1.65 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.85 0.00 -3.02 1.08 4.01 -1.26 -5.06 117.16 110.05 1xrz n TYR 7 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1xrz n TYR 7 Cb 1.06 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.29 3.27 -0.30 0.00 2.56 -1.26 -4.10 118.70 119.16 1xrz s GLU 9 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.97 54.11 1xrz s GLU 9 Cb 0.00 -2.62 0.18 0.00 2.00 0.00 0.00 34.13 33.69 1xrz s GLU 9 CO 0.00 0.09 1.02 -0.98 -0.56 0.00 0.00 175.26 174.83 1xrz s ARG 11 N 0.64 0.23 0.32 4.30 1.70 -1.26 -4.87 118.95 120.01 1xrz s ARG 11 Ca -0.08 0.46 0.09 0.00 -0.47 0.00 0.00 55.73 55.72 1xrz s ARG 11 Cb -0.16 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1xrz s ARG 11 CO 0.03 -0.20 0.08 -1.12 -1.08 0.00 0.00 175.30 173.00 1xrz s SER 12 N 2.78 4.53 0.00 -2.89 0.01 -0.91 -4.92 113.70 112.30 1xrz s SER 12 Ca 0.00 -0.80 0.11 0.00 1.31 0.00 0.00 55.95 56.57 1xrz s SER 12 Cb -0.09 -0.71 -0.08 0.00 0.21 0.00 0.00 66.02 65.35 1xrz s SER 12 CO -0.13 -0.22 0.51 0.00 0.41 0.00 0.00 173.24 173.80 1xrz n ALA 13 N -1.05 3.23 -2.64 1.44 0.00 -1.26 -1.04 120.51 119.20 1xrz n ALA 13 Ca -0.04 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 1xrz n ALA 13 Cb 0.61 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.56 1xrz n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xrz s ASP 14 N -1.83 2.02 -0.01 0.00 -1.08 -1.26 -4.92 116.67 109.58 1xrz s ASP 14 Ca 0.05 -0.63 0.06 0.00 -0.52 0.00 0.00 52.55 51.51 1xrz s ASP 14 Cb 0.08 -0.09 -0.02 0.00 -1.46 0.00 0.00 42.92 41.44 1xrz s ASP 14 CO 0.39 -0.02 -0.21 -0.94 0.52 0.00 0.00 175.17 174.91 1xrz s SER 15 N -1.77 2.41 -0.73 -0.34 1.04 -1.26 -3.14 113.70 109.91 1xrz s SER 15 Ca 0.02 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1xrz s SER 15 Cb -0.10 -0.26 0.34 0.00 0.10 0.00 0.00 66.02 66.10 1xrz s SER 15 CO 0.03 0.25 2.12 -1.54 0.98 0.00 0.00 173.24 175.07 1xrz n SER 16 N 2.52 7.42 -0.19 7.02 3.41 -1.26 -4.94 113.62 127.60 1xrz n SER 16 Ca -0.15 -3.71 -0.02 0.00 -0.26 0.00 0.00 58.87 54.72 1xrz n SER 16 Cb 0.53 -1.06 0.19 0.00 -0.26 0.00 0.00 64.21 63.61 1xrz n SER 16 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1xrz h ASN 17 N 2.63 0.87 -0.53 4.04 -0.00 -1.98 -1.52 115.58 119.09 1xrz h ASN 17 Ca 0.55 -0.10 0.04 0.00 -0.00 0.00 0.00 56.30 56.78 1xrz h ASN 17 Cb 0.37 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.43 1xrz h ASN 17 CO 1.39 0.75 0.29 0.25 -0.00 0.00 0.00 177.43 180.11 1xrz h LEU 18 N 0.95 0.45 -0.03 0.34 5.85 -1.92 0.57 115.31 121.51 1xrz h LEU 18 Ca 0.23 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1xrz h LEU 18 Cb 0.12 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xrz h LEU 18 CO -0.03 0.31 0.02 0.50 -0.34 0.00 0.00 178.44 178.90 1xrz h LYS 19 N 0.57 0.05 -0.66 1.25 3.64 -1.67 -1.81 116.57 117.94 1xrz h LYS 19 Ca 0.22 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.73 1xrz h LYS 19 Cb 0.09 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 1xrz h LYS 19 CO -0.13 0.18 0.13 1.15 -2.27 0.00 0.00 179.45 178.51 1xrz h THR 20 N -0.09 0.56 0.24 1.00 2.02 -0.80 -0.92 112.91 114.92 1xrz h THR 20 Ca 0.01 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1xrz h THR 20 Cb 0.15 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1xrz h THR 20 CO -0.00 0.04 -0.46 -0.74 0.37 0.00 0.00 175.52 174.73 1xrz h HIS 21 N 0.24 -1.30 -0.03 3.16 -0.00 -0.43 -2.48 115.15 114.31 1xrz h HIS 21 Ca 0.36 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.78 1xrz h HIS 21 Cb 0.58 0.54 -0.05 0.00 -0.00 0.00 0.00 27.41 28.47 1xrz h HIS 21 CO -0.27 -0.58 -0.49 0.82 -0.00 0.00 0.00 177.93 177.41 1xrz h ILE 22 N -0.78 0.00 -1.36 6.26 2.04 -0.40 0.14 117.51 123.41 1xrz h ILE 22 Ca -0.01 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.25 1xrz h ILE 22 Cb 0.75 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1xrz h ILE 22 CO -0.19 0.00 1.18 0.50 0.00 0.00 0.00 178.15 179.64 1xrz h LYS 23 N -0.59 0.00 0.00 2.37 3.11 -1.01 0.38 116.57 120.82 1xrz h LYS 23 Ca 0.01 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.50 1xrz h LYS 23 Cb 0.65 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.82 1xrz h LYS 23 CO -0.34 0.00 -2.26 2.41 -2.81 0.00 0.00 179.45 176.44 1xrz n THR 24 N -3.68 1.26 0.07 1.00 -1.04 -0.58 -3.90 114.28 107.41 1xrz n THR 24 Ca 0.30 -0.42 0.05 0.00 -2.04 0.00 0.00 64.05 61.95 1xrz n THR 24 Cb 1.60 -1.47 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 1xrz n THR 24 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1xrz h LYS 25 N -0.31 0.00 0.00 -2.82 1.57 -0.69 -3.39 116.57 110.93 1xrz h LYS 25 Ca -0.52 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.06 1xrz h LYS 25 Cb 1.67 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.94 1xrz h LYS 25 CO -0.18 0.16 -1.74 0.72 -0.57 0.00 0.00 179.45 177.84 1xrz n HIS 26 N -2.82 0.00 -3.63 -1.35 8.25 -0.08 -5.00 115.22 110.60 1xrz n HIS 26 Ca -0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.11 1xrz n HIS 26 Cb 0.70 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.74 -1.28 -2.50 0.41 3.41 -0.07 -4.74 113.62 106.11 1xrz n SER 27 Ca -0.21 -0.87 -0.21 0.00 -0.26 0.00 0.00 58.87 57.32 1xrz n SER 27 Cb 0.77 -1.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1xrz n SER 27 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1xrz n LYS 28 N -2.98 2.76 -3.33 4.33 4.81 -1.26 -4.82 118.16 117.66 1xrz n LYS 28 Ca 0.08 -4.10 -0.26 0.00 -0.87 0.00 0.00 58.31 53.17 1xrz n LYS 28 Cb 0.31 -1.95 -0.08 0.00 0.02 0.00 0.00 35.03 33.33 1xrz n LYS 28 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xrz n GLU 29 N -0.39 1.27 0.00 1.64 2.13 -1.26 -5.11 120.64 118.92 1xrz n GLU 29 Ca 0.30 -3.73 0.08 0.00 0.66 0.00 0.00 57.16 54.46 1xrz n GLU 29 Cb 0.74 -1.65 0.06 0.00 0.27 0.00 0.00 31.44 30.86 1xrz n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35