#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 1.69 -0.13 -0.18 -4.23 -1.26 -4.97 115.64 106.56 1xrz s THR 2 Ca 0.00 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1xrz s THR 2 Cb 0.00 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 1xrz s THR 2 CO 0.00 0.00 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.71 1xrz s TYR 3 N -2.76 2.97 -0.01 3.99 1.51 -0.29 -4.99 117.35 117.78 1xrz s TYR 3 Ca 0.30 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.15 1xrz s TYR 3 Cb -0.01 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1xrz s TYR 3 CO 0.18 0.05 -0.16 -0.65 -1.11 0.00 0.00 175.55 173.86 1xrz s GLN 4 N 0.02 2.33 0.92 -0.62 -1.52 -1.26 -1.14 119.66 118.39 1xrz s GLN 4 Ca -0.01 -0.81 -0.11 0.00 -1.95 0.00 0.00 55.36 52.48 1xrz s GLN 4 Cb -0.14 -2.30 0.15 0.00 -0.22 0.00 0.00 33.01 30.50 1xrz s GLN 4 CO 0.03 0.59 1.11 0.00 -0.25 0.00 0.00 175.29 176.77 1xrz n GLN 6 N -4.15 3.22 0.03 0.00 6.02 -1.26 -4.52 117.38 116.73 1xrz n GLN 6 Ca 0.09 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.15 1xrz n GLN 6 Cb 0.53 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.35 -0.56 -2.60 1.08 4.01 -1.26 -5.12 117.16 112.37 1xrz n TYR 7 Ca 0.24 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 1xrz n TYR 7 Cb 0.98 0.49 0.00 0.00 -0.31 0.00 0.00 39.34 40.50 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 1.61 2.03 -0.23 0.00 2.56 -1.26 -4.17 118.70 119.25 1xrz s GLU 9 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 54.97 54.08 1xrz s GLU 9 Cb 0.00 -2.34 0.08 0.00 2.00 0.00 0.00 34.13 33.87 1xrz s GLU 9 CO 0.00 -0.40 0.54 0.50 -0.56 0.00 0.00 175.26 175.34 1xrz s ARG 11 N 1.43 0.51 0.27 4.30 6.06 -1.26 -4.82 118.95 125.44 1xrz s ARG 11 Ca -0.00 1.08 0.02 0.00 -2.50 0.00 0.00 55.73 54.32 1xrz s ARG 11 Cb -0.16 0.24 -0.05 0.00 0.06 0.00 0.00 34.95 35.04 1xrz s ARG 11 CO -0.09 -0.18 0.10 -1.12 -2.50 0.00 0.00 175.30 171.51 1xrz s SER 12 N 1.95 1.39 -0.00 -2.12 0.01 -0.29 -4.99 113.70 109.64 1xrz s SER 12 Ca -0.08 -1.40 0.06 0.00 1.31 0.00 0.00 55.95 55.84 1xrz s SER 12 Cb -0.09 0.16 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 1xrz s SER 12 CO -0.16 -0.73 0.18 0.00 0.41 0.00 0.00 173.24 172.94 1xrz n ALA 13 N -0.51 2.48 -2.41 1.44 0.00 -1.26 -1.13 120.51 119.12 1xrz n ALA 13 Ca -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1xrz n ALA 13 Cb 0.66 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.07 2.02 -0.07 0.00 2.15 -1.26 -4.77 116.67 112.67 1xrz s ASP 14 Ca 0.00 -1.38 -0.01 0.00 0.43 0.00 0.00 52.55 51.59 1xrz s ASP 14 Cb 0.04 -0.00 -0.00 0.00 -0.30 0.00 0.00 42.92 42.65 1xrz s ASP 14 CO 0.23 -0.65 -0.02 -1.28 -0.17 0.00 0.00 175.17 173.28 1xrz h SER 15 N 2.19 0.00 -0.79 -0.34 0.87 -2.00 -3.13 113.55 110.35 1xrz h SER 15 Ca -0.40 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.31 1xrz h SER 15 Cb 1.25 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.06 1xrz h SER 15 CO 0.67 0.38 -0.23 -1.20 -0.53 0.00 0.00 176.83 175.91 1xrz n SER 16 N -3.93 -0.36 0.21 6.23 7.64 -1.26 -0.24 113.62 121.91 1xrz n SER 16 Ca -0.01 1.37 -0.17 0.00 1.01 0.00 0.00 58.87 61.07 1xrz n SER 16 Cb 0.03 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.36 -0.88 6.43 -0.73 -2.00 -0.39 115.58 116.64 1xrz h ASN 17 Ca 0.35 0.13 0.09 0.00 1.87 0.00 0.00 56.30 58.74 1xrz h ASN 17 Cb 0.54 0.48 -0.06 0.00 0.27 0.00 0.00 38.32 39.55 1xrz h ASN 17 CO -0.81 -0.59 0.57 0.25 -0.37 0.00 0.00 177.43 176.48 1xrz h LEU 18 N -0.85 0.80 0.64 0.34 5.85 -0.55 -0.72 115.31 120.82 1xrz h LEU 18 Ca -0.03 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1xrz h LEU 18 Cb 0.79 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.68 1xrz h LEU 18 CO -0.15 0.48 -0.31 0.11 -0.34 0.00 0.00 178.44 178.23 1xrz h LYS 19 N 0.89 -0.83 -0.70 1.25 1.79 -0.67 -0.52 116.57 117.77 1xrz h LYS 19 Ca 0.40 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 59.07 1xrz h LYS 19 Cb 0.38 0.19 -0.13 0.00 -1.58 0.00 0.00 32.23 31.09 1xrz h LYS 19 CO -0.17 -0.55 -0.20 1.15 -1.08 0.00 0.00 179.45 178.60 1xrz h THR 20 N -0.88 0.26 0.18 -0.16 2.02 -0.35 -0.61 112.91 113.37 1xrz h THR 20 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1xrz h THR 20 Cb 0.67 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1xrz h THR 20 CO 0.14 0.00 -0.44 -0.74 0.37 0.00 0.00 175.52 174.86 1xrz h HIS 21 N -0.02 -1.26 -0.19 3.16 -0.00 -0.76 -2.84 115.15 113.24 1xrz h HIS 21 Ca 0.33 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.77 1xrz h HIS 21 Cb 0.53 0.52 -0.07 0.00 -0.00 0.00 0.00 27.41 28.40 1xrz h HIS 21 CO -0.59 -0.51 -0.48 0.82 -0.00 0.00 0.00 177.93 177.17 1xrz h ILE 22 N -0.68 0.07 -0.97 6.26 2.04 0.10 0.96 117.51 125.29 1xrz h ILE 22 Ca -0.02 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.23 1xrz h ILE 22 Cb 0.66 0.07 -0.18 0.00 -0.74 0.00 0.00 36.82 36.64 1xrz h ILE 22 CO -0.20 0.00 0.45 1.17 0.00 0.00 0.00 178.15 179.58 1xrz n LYS 23 N -5.43 -0.06 -0.12 2.37 4.81 -0.35 -0.88 118.16 118.49 1xrz n LYS 23 Ca -0.04 1.35 -0.19 0.00 -0.87 0.00 0.00 58.31 58.55 1xrz n LYS 23 Cb 0.37 -2.39 -0.12 0.00 0.02 0.00 0.00 35.03 32.91 1xrz n LYS 23 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1xrz n THR 24 N -5.22 1.51 0.44 3.15 -1.04 -0.85 -3.52 114.28 108.75 1xrz n THR 24 Ca 0.35 -0.55 0.12 0.00 -2.04 0.00 0.00 64.05 61.93 1xrz n THR 24 Cb 1.18 -1.49 0.23 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.10 0.00 0.00 -2.82 1.79 -0.61 -3.22 116.57 111.61 1xrz h LYS 25 Ca -0.58 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 1xrz h LYS 25 Cb 1.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1xrz h LYS 25 CO -0.11 0.00 -0.88 0.72 -1.08 0.00 0.00 179.45 178.10 1xrz n HIS 26 N -2.50 0.00 -1.98 -1.35 8.25 -0.06 -4.76 115.22 112.82 1xrz n HIS 26 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 1xrz n HIS 26 Cb 0.47 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -2.28 6.37 0.00 0.41 7.64 -0.55 -5.03 113.62 120.18 1xrz n SER 27 Ca 0.00 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1xrz n SER 27 Cb 0.44 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 -0.62 0.00 -0.03 1.43 4.76 -1.22 -4.49 118.16 117.99 1xrz n LYS 28 Ca 0.50 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.86 1xrz n LYS 28 Cb 0.55 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.71 1xrz n LYS 28 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xrz n GLU 29 N 0.00 0.21 0.00 1.97 -0.58 -1.26 -4.96 120.64 116.02 1xrz n GLU 29 Ca 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1xrz n GLU 29 Cb 0.00 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1xrz n GLU 29 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01