#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 1.97 -0.08 3.15 -1.32 -1.26 -4.87 115.64 113.23 1xrz s THR 2 Ca 0.00 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.52 1xrz s THR 2 Cb 0.00 -2.97 -0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1xrz s THR 2 CO 0.00 0.00 -0.22 -0.31 -2.21 0.00 0.00 174.62 171.88 1xrz s TYR 3 N -2.72 2.33 0.19 9.09 1.51 -0.63 -4.98 117.35 122.13 1xrz s TYR 3 Ca 0.34 -0.85 0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1xrz s TYR 3 Cb 0.10 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1xrz s TYR 3 CO 0.17 -0.33 0.14 -0.65 -1.11 0.00 0.00 175.55 173.78 1xrz s GLN 4 N 0.21 2.86 1.11 -0.62 -1.52 -1.26 -1.15 119.66 119.29 1xrz s GLN 4 Ca -0.13 -0.94 -0.12 0.00 -1.95 0.00 0.00 55.36 52.22 1xrz s GLN 4 Cb -0.16 -2.60 0.25 0.00 -0.22 0.00 0.00 33.01 30.29 1xrz s GLN 4 CO 0.06 0.46 1.05 0.00 -0.25 0.00 0.00 175.29 176.61 1xrz n GLN 6 N -4.73 1.77 0.02 0.00 6.02 -1.26 -4.58 117.38 114.62 1xrz n GLN 6 Ca 0.04 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1xrz n GLN 6 Cb 0.54 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 1.04 -0.09 -2.60 1.08 4.02 -1.26 -5.11 117.16 114.23 1xrz n TYR 7 Ca 0.12 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1xrz n TYR 7 Cb 0.47 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1xrz n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xrz s GLU 9 N 1.63 3.19 -0.29 0.00 2.12 -1.26 -4.08 118.70 120.01 1xrz s GLU 9 Ca 0.00 -0.75 -0.17 0.00 0.36 0.00 0.00 54.97 54.41 1xrz s GLU 9 Cb 0.00 -2.68 0.14 0.00 0.26 0.00 0.00 34.13 31.85 1xrz s GLU 9 CO 0.00 -0.08 0.95 -0.98 -0.54 0.00 0.00 175.26 174.61 1xrz s ARG 11 N 1.05 0.43 0.40 4.30 1.70 -1.26 -4.85 118.95 120.71 1xrz s ARG 11 Ca -0.01 0.71 0.04 0.00 -0.47 0.00 0.00 55.73 56.01 1xrz s ARG 11 Cb -0.15 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.28 1xrz s ARG 11 CO -0.04 -0.09 0.05 -1.12 -1.08 0.00 0.00 175.30 173.02 1xrz s SER 12 N 1.24 3.18 -0.01 -2.89 0.01 -0.30 -4.96 113.70 109.98 1xrz s SER 12 Ca -0.08 -1.48 0.16 0.00 1.31 0.00 0.00 55.95 55.86 1xrz s SER 12 Cb -0.04 0.05 -0.19 0.00 0.21 0.00 0.00 66.02 66.05 1xrz s SER 12 CO -0.14 -0.67 0.57 0.00 0.41 0.00 0.00 173.24 173.40 1xrz n ALA 13 N -0.91 3.59 -2.60 1.44 0.00 -1.26 -1.61 120.51 119.15 1xrz n ALA 13 Ca -0.07 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 1xrz n ALA 13 Cb 0.66 -0.56 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.88 3.29 -0.14 0.00 2.15 -1.26 -4.86 116.67 112.97 1xrz s ASP 14 Ca 0.02 -1.70 -0.09 0.00 0.43 0.00 0.00 52.55 51.22 1xrz s ASP 14 Cb 0.11 0.57 -0.06 0.00 -0.30 0.00 0.00 42.92 43.24 1xrz s ASP 14 CO 0.64 -0.94 -0.21 -1.20 -0.17 0.00 0.00 175.17 173.30 1xrz n SER 15 N -1.35 1.24 -0.30 -0.34 7.64 -1.26 -4.22 113.62 115.02 1xrz n SER 15 Ca -0.11 0.21 0.11 0.00 1.01 0.00 0.00 58.87 60.09 1xrz n SER 15 Cb 0.65 -0.50 0.24 0.00 -1.01 0.00 0.00 64.21 63.60 1xrz n SER 15 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1xrz h SER 16 N -0.58 -0.35 -0.32 6.43 0.87 -2.00 0.29 113.55 117.90 1xrz h SER 16 Ca -0.32 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1xrz h SER 16 Cb 1.18 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 1xrz h SER 16 CO -0.19 -0.25 0.13 0.78 -0.53 0.00 0.00 176.83 176.77 1xrz h ASN 17 N 0.08 0.44 -0.83 6.23 2.35 -2.00 -1.97 115.58 119.87 1xrz h ASN 17 Ca 0.52 -0.16 0.08 0.00 -0.55 0.00 0.00 56.30 56.19 1xrz h ASN 17 Cb 1.01 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 39.20 1xrz h ASN 17 CO -0.78 0.48 0.49 0.25 -1.65 0.00 0.00 177.43 176.22 1xrz h LEU 18 N 0.37 0.73 0.21 1.61 5.85 -0.67 -0.53 115.31 122.88 1xrz h LEU 18 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1xrz h LEU 18 Cb 0.17 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1xrz h LEU 18 CO -0.01 0.43 -0.20 0.50 -0.34 0.00 0.00 178.44 178.83 1xrz h LYS 19 N 0.85 -0.42 -0.51 1.25 3.64 -0.82 -1.34 116.57 119.22 1xrz h LYS 19 Ca 0.39 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.89 1xrz h LYS 19 Cb 0.30 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1xrz h LYS 19 CO -0.22 -0.28 -0.34 1.15 -2.27 0.00 0.00 179.45 177.49 1xrz h THR 20 N -0.44 0.18 -0.44 1.00 2.02 -0.49 -0.96 112.91 113.79 1xrz h THR 20 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1xrz h THR 20 Cb 0.40 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1xrz h THR 20 CO -0.04 0.00 -0.55 -0.74 0.37 0.00 0.00 175.52 174.56 1xrz h HIS 21 N -0.21 -1.69 -0.46 3.16 -0.00 -0.49 -1.88 115.15 113.58 1xrz h HIS 21 Ca 0.20 0.08 0.09 0.00 -0.00 0.00 0.00 60.37 60.74 1xrz h HIS 21 Cb 0.55 0.79 -0.10 0.00 -0.00 0.00 0.00 27.41 28.65 1xrz h HIS 21 CO -0.60 -0.48 -0.31 0.82 -0.00 0.00 0.00 177.93 177.35 1xrz h ILE 22 N -0.38 0.23 -0.90 6.26 2.04 -0.10 0.10 117.51 124.77 1xrz h ILE 22 Ca 0.08 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.19 1xrz h ILE 22 Cb 0.59 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1xrz h ILE 22 CO -0.61 0.00 0.63 0.50 0.00 0.00 0.00 178.15 178.67 1xrz h LYS 23 N -0.21 0.12 0.00 2.37 1.63 -0.51 -0.44 116.57 119.53 1xrz h LYS 23 Ca 0.20 -0.01 -0.29 0.00 -0.85 0.00 0.00 60.65 59.70 1xrz h LYS 23 Cb 0.53 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.08 1xrz h LYS 23 CO -0.57 0.08 -2.08 -2.37 -3.45 0.00 0.00 179.45 171.06 1xrz n THR 24 N -4.35 1.08 0.07 1.00 5.66 -0.69 -3.81 114.28 113.24 1xrz n THR 24 Ca 0.19 -0.54 -0.02 0.00 -3.05 0.00 0.00 64.05 60.63 1xrz n THR 24 Cb 0.89 -0.89 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1xrz n THR 24 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1xrz h LYS 25 N 0.00 0.00 0.00 1.09 1.79 -0.81 -3.41 116.57 115.23 1xrz h LYS 25 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1xrz h LYS 25 Cb 1.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 1xrz h LYS 25 CO -0.02 0.59 -0.36 0.72 -1.08 0.00 0.00 179.45 179.30 1xrz n HIS 26 N -3.16 0.00 0.00 -1.35 8.25 -0.32 -4.99 115.22 113.66 1xrz n HIS 26 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1xrz n HIS 26 Cb 0.86 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1xrz n HIS 26 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1xrz n SER 27 N -3.66 0.00 -4.71 0.41 7.64 -0.37 -4.51 113.62 108.42 1xrz n SER 27 Ca -0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.54 1xrz n SER 27 Cb 0.19 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 1xrz n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xrz n LYS 28 N 0.00 0.74 -4.42 1.43 5.02 -1.26 -4.97 118.16 114.70 1xrz n LYS 28 Ca 0.00 -3.54 -0.22 0.00 -2.02 0.00 0.00 58.31 52.54 1xrz n LYS 28 Cb 0.00 0.71 -0.10 0.00 -0.02 0.00 0.00 35.03 35.61 1xrz n LYS 28 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xrz s GLU 29 N -3.99 1.55 0.00 1.97 2.12 -1.26 -5.13 118.70 113.96 1xrz s GLU 29 Ca 0.13 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.75 1xrz s GLU 29 Cb -0.01 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.91 1xrz s GLU 29 CO 0.09 0.24 0.43 1.17 -0.54 0.00 0.00 175.26 176.64