#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 1.00 -0.10 3.15 2.01 -1.26 -5.11 115.64 115.34 1xrz s THR 2 Ca 0.00 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.03 1xrz s THR 2 Cb 0.00 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1xrz s THR 2 CO 0.00 0.00 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.40 1xrz s TYR 3 N -2.99 2.60 0.27 4.92 2.02 -1.26 -4.99 117.35 117.91 1xrz s TYR 3 Ca 0.14 -0.88 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1xrz s TYR 3 Cb 0.02 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1xrz s TYR 3 CO 0.08 -0.32 0.11 0.00 -1.57 0.00 0.00 175.55 173.85 1xrz n GLN 4 N 3.38 1.22 -1.98 -0.62 -0.00 -1.26 -1.91 117.38 116.20 1xrz n GLN 4 Ca -0.18 -1.81 -0.30 0.00 -0.00 0.00 0.00 57.00 54.70 1xrz n GLN 4 Cb 0.53 0.34 0.03 0.00 -0.00 0.00 0.00 30.24 31.14 1xrz n GLN 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xrz n GLN 6 N -2.86 2.24 0.00 0.00 7.27 -1.26 -4.44 117.38 118.34 1xrz n GLN 6 Ca 0.06 -1.87 -0.01 0.00 0.07 0.00 0.00 57.00 55.26 1xrz n GLN 6 Cb 0.56 -1.46 -0.00 0.00 2.41 0.00 0.00 30.24 31.76 1xrz n GLN 6 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1xrz n TYR 7 N 1.27 0.00 -3.11 3.69 4.02 -1.26 -5.09 117.16 116.67 1xrz n TYR 7 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1xrz n TYR 7 Cb 0.59 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 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 0.54 2.28 -0.22 0.00 2.56 -1.26 -3.88 118.70 118.71 1xrz s GLU 9 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 54.97 53.63 1xrz s GLU 9 Cb 0.00 -2.78 0.07 0.00 2.00 0.00 0.00 34.13 33.41 1xrz s GLU 9 CO 0.00 -0.51 0.55 0.50 -0.56 0.00 0.00 175.26 175.24 1xrz s ARG 11 N 1.17 0.55 0.09 4.30 3.00 -1.26 -4.83 118.95 121.98 1xrz s ARG 11 Ca -0.06 0.99 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1xrz s ARG 11 Cb -0.19 0.07 0.00 0.00 0.00 0.00 0.00 34.95 34.84 1xrz s ARG 11 CO -0.06 -0.15 0.00 0.43 0.00 0.00 0.00 175.30 175.52 1xrz n SER 12 N 4.18 1.04 0.00 -2.12 7.64 -0.80 -5.02 113.62 118.54 1xrz n SER 12 Ca -0.21 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1xrz n SER 12 Cb 0.57 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1xrz n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xrz n ALA 13 N -3.43 0.00 -4.62 -0.43 0.00 -1.17 -4.97 120.51 105.89 1xrz n ALA 13 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1xrz n ALA 13 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 2.56 -0.07 0.00 2.03 -1.26 -4.57 116.55 115.25 1xrz n ASP 14 Ca 0.00 -3.12 -0.12 0.00 0.52 0.00 0.00 54.79 52.07 1xrz n ASP 14 Cb 0.00 0.58 -0.04 0.00 -0.72 0.00 0.00 41.12 40.94 1xrz n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xrz n SER 15 N -1.38 1.60 -0.23 1.67 3.41 -1.26 -4.10 113.62 113.32 1xrz n SER 15 Ca -0.15 0.26 0.03 0.00 -0.26 0.00 0.00 58.87 58.76 1xrz n SER 15 Cb 0.61 -0.61 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1xrz n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xrz h SER 16 N -0.71 0.16 -0.66 4.04 0.02 -1.99 0.32 113.55 114.73 1xrz h SER 16 Ca -0.18 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1xrz h SER 16 Cb 0.97 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1xrz h SER 16 CO -0.11 0.06 0.38 0.78 -1.14 0.00 0.00 176.83 176.81 1xrz h ASN 17 N 0.36 0.81 -0.28 3.07 -0.26 -2.00 -1.77 115.58 115.50 1xrz h ASN 17 Ca 0.37 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 56.03 1xrz h ASN 17 Cb 0.56 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1xrz h ASN 17 CO -0.40 0.65 0.15 0.25 -1.06 0.00 0.00 177.43 177.01 1xrz h LEU 18 N 0.90 0.35 -0.17 1.61 5.85 -1.16 -1.91 115.31 120.78 1xrz h LEU 18 Ca 0.23 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1xrz h LEU 18 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1xrz h LEU 18 CO -0.04 0.35 -0.09 0.11 -0.34 0.00 0.00 178.44 178.42 1xrz h LYS 19 N 0.33 -0.08 -0.53 1.25 1.57 -0.78 -0.48 116.57 117.84 1xrz h LYS 19 Ca 0.10 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1xrz h LYS 19 Cb 0.08 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.30 1xrz h LYS 19 CO -0.01 -0.06 -0.33 1.15 -0.57 0.00 0.00 179.45 179.63 1xrz h THR 20 N -0.09 0.19 0.03 -0.16 2.02 -0.96 -0.74 112.91 113.20 1xrz h THR 20 Ca 0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1xrz h THR 20 Cb 0.23 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 1xrz h THR 20 CO -0.22 0.00 -0.53 -0.74 0.37 0.00 0.00 175.52 174.40 1xrz h HIS 21 N -0.19 -1.56 -0.78 3.16 -0.00 -0.50 -1.92 115.15 113.36 1xrz h HIS 21 Ca 0.21 0.05 0.17 0.00 -0.00 0.00 0.00 60.37 60.80 1xrz h HIS 21 Cb 0.54 0.68 -0.15 0.00 -0.00 0.00 0.00 27.41 28.48 1xrz h HIS 21 CO -0.60 -0.58 -0.14 0.82 -0.00 0.00 0.00 177.93 177.43 1xrz h ILE 22 N -0.69 0.24 -0.30 6.26 2.04 0.06 0.19 117.51 125.31 1xrz h ILE 22 Ca 0.01 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1xrz h ILE 22 Cb 0.73 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1xrz h ILE 22 CO -0.34 0.00 0.07 0.11 0.00 0.00 0.00 178.15 178.00 1xrz h LYS 23 N 0.02 0.18 0.00 2.37 1.79 -0.55 0.08 116.57 120.46 1xrz h LYS 23 Ca 0.39 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1xrz h LYS 23 Cb 0.64 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1xrz h LYS 23 CO -0.77 0.12 -0.64 1.15 -1.08 0.00 0.00 179.45 178.23 1xrz h THR 24 N 0.19 0.00 0.00 -0.16 2.02 -0.58 -3.38 112.91 111.00 1xrz h THR 24 Ca 0.14 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 1xrz h THR 24 Cb 0.14 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1xrz h THR 24 CO -0.17 0.00 -1.37 0.29 0.37 0.00 0.00 175.52 174.64 1xrz n LYS 25 N -2.56 1.54 -0.05 6.66 4.76 0.59 -4.92 118.16 124.17 1xrz n LYS 25 Ca 0.02 -0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1xrz n LYS 25 Cb 0.51 -1.16 -0.04 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.97 0.00 0.00 2.13 8.25 -0.03 -4.41 115.22 119.19 1xrz n HIS 26 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1xrz n HIS 26 Cb 0.43 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.93 0.00 -3.86 0.41 7.64 -0.94 0.07 113.62 113.01 1xrz n SER 27 Ca -0.19 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.41 1xrz n SER 27 Cb 0.49 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.44 0.00 1.43 4.01 -1.26 -4.90 118.16 115.01 1xrz n LYS 28 Ca 0.00 0.41 -0.01 0.00 -0.51 0.00 0.00 58.31 58.20 1xrz n LYS 28 Cb 0.00 -4.29 -0.00 0.00 -0.51 0.00 0.00 35.03 30.23 1xrz n LYS 28 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1xrz n GLU 29 N -4.36 0.04 0.00 1.97 1.02 0.11 -5.21 120.64 114.21 1xrz n GLU 29 Ca -0.22 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1xrz n GLU 29 Cb 0.65 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1xrz n GLU 29 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67