#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 2.01 0.20 -0.18 -4.23 -1.26 -4.87 115.64 107.31 1xrz s THR 2 Ca 0.00 -1.80 0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1xrz s THR 2 Cb 0.00 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1xrz s THR 2 CO 0.00 0.00 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.53 1xrz s TYR 3 N -2.68 2.28 0.14 3.99 2.02 -0.35 -4.97 117.35 117.78 1xrz s TYR 3 Ca 0.34 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1xrz s TYR 3 Cb 0.05 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1xrz s TYR 3 CO 0.19 0.50 0.18 -1.14 -1.57 0.00 0.00 175.55 173.71 1xrz s GLN 4 N -2.71 3.12 1.31 -0.62 2.00 -1.26 -1.89 119.66 119.60 1xrz s GLN 4 Ca 0.21 -0.71 -0.22 0.00 -2.00 0.00 0.00 55.36 52.64 1xrz s GLN 4 Cb -0.08 -2.80 0.34 0.00 0.80 0.00 0.00 33.01 31.27 1xrz s GLN 4 CO 0.10 0.52 0.87 0.00 -0.50 0.00 0.00 175.29 176.28 1xrz n GLN 6 N -5.30 0.67 -0.06 0.00 7.27 -1.26 -4.65 117.38 114.05 1xrz n GLN 6 Ca 0.13 -0.11 -0.09 0.00 0.07 0.00 0.00 57.00 57.00 1xrz n GLN 6 Cb 0.56 -1.53 -0.05 0.00 2.41 0.00 0.00 30.24 31.63 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 -2.48 0.00 -3.07 3.69 4.01 -1.26 -5.08 117.16 112.98 1xrz n TYR 7 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1xrz n TYR 7 Cb 0.81 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.12 2.89 -0.28 0.00 2.12 -1.26 -3.90 118.70 118.39 1xrz s GLU 9 Ca 0.00 -0.94 -0.15 0.00 0.36 0.00 0.00 54.97 54.24 1xrz s GLU 9 Cb 0.00 -2.98 0.09 0.00 0.26 0.00 0.00 34.13 31.50 1xrz s GLU 9 CO 0.00 -0.38 0.68 1.03 -0.54 0.00 0.00 175.26 176.05 1xrz s ARG 11 N 1.34 0.68 0.37 4.30 1.81 -1.26 -4.87 118.95 121.32 1xrz s ARG 11 Ca 0.01 1.26 0.04 0.00 -1.72 0.00 0.00 55.73 55.32 1xrz s ARG 11 Cb -0.16 0.27 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 1xrz s ARG 11 CO -0.04 -0.16 0.07 -1.12 -0.68 0.00 0.00 175.30 173.36 1xrz s SER 12 N 1.86 2.74 -0.03 0.23 0.01 -0.79 -4.96 113.70 112.75 1xrz s SER 12 Ca -0.09 -1.47 0.13 0.00 1.31 0.00 0.00 55.95 55.83 1xrz s SER 12 Cb -0.06 0.07 -0.20 0.00 0.21 0.00 0.00 66.02 66.03 1xrz s SER 12 CO -0.20 -0.69 0.27 0.00 0.41 0.00 0.00 173.24 173.03 1xrz n ALA 13 N -0.81 2.40 -2.67 1.44 0.00 -1.26 -1.22 120.51 118.39 1xrz n ALA 13 Ca -0.05 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 1xrz n ALA 13 Cb 0.66 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.71 3.62 -0.18 0.00 -1.08 -1.26 -4.80 116.67 109.26 1xrz s ASP 14 Ca -0.05 -1.66 0.13 0.00 -0.52 0.00 0.00 52.55 50.45 1xrz s ASP 14 Cb 0.08 0.50 -0.20 0.00 -1.46 0.00 0.00 42.92 41.84 1xrz s ASP 14 CO 0.56 -0.88 0.01 -1.20 0.52 0.00 0.00 175.17 174.19 1xrz n SER 15 N -1.28 1.04 0.43 -0.34 7.64 -1.26 -4.09 113.62 115.77 1xrz n SER 15 Ca -0.14 -0.02 -0.19 0.00 1.01 0.00 0.00 58.87 59.53 1xrz n SER 15 Cb 0.66 0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 64.47 1xrz n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xrz h SER 16 N 0.00 -0.97 -0.77 6.43 4.64 -1.99 0.76 113.55 121.66 1xrz h SER 16 Ca -0.47 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1xrz h SER 16 Cb 2.00 0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 64.30 1xrz h SER 16 CO 0.01 -0.67 0.50 -0.55 -0.87 0.00 0.00 176.83 175.25 1xrz h ASN 17 N -1.10 0.75 -0.83 4.97 -0.00 -2.00 -0.16 115.58 117.21 1xrz h ASN 17 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.17 1xrz h ASN 17 Cb 0.85 -0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 38.97 1xrz h ASN 17 CO 0.17 0.49 0.42 0.25 -0.00 0.00 0.00 177.43 178.76 1xrz h LEU 18 N 0.86 1.06 0.40 6.14 5.85 -1.61 0.13 115.31 128.14 1xrz h LEU 18 Ca 0.32 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xrz h LEU 18 Cb 0.18 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1xrz h LEU 18 CO -0.11 0.88 -0.19 0.50 -0.34 0.00 0.00 178.44 179.18 1xrz h LYS 19 N 1.18 -0.52 -0.61 1.25 3.11 0.89 -2.12 116.57 119.76 1xrz h LYS 19 Ca 0.29 0.04 0.11 0.00 -2.81 0.00 0.00 60.65 58.28 1xrz h LYS 19 Cb 0.08 0.12 -0.12 0.00 -1.00 0.00 0.00 32.23 31.31 1xrz h LYS 19 CO -0.04 -0.31 -0.29 1.15 -2.81 0.00 0.00 179.45 177.15 1xrz h THR 20 N -0.60 0.21 -0.56 1.00 2.02 -0.72 -0.19 112.91 114.07 1xrz h THR 20 Ca -0.06 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.23 1xrz h THR 20 Cb 0.45 0.21 -0.11 0.00 -1.74 0.00 0.00 68.15 66.96 1xrz h THR 20 CO 0.09 0.00 -0.31 -0.74 0.37 0.00 0.00 175.52 174.93 1xrz h HIS 21 N -0.13 -0.85 -0.41 3.16 -0.00 -0.61 -0.69 115.15 115.62 1xrz h HIS 21 Ca 0.25 0.07 0.03 0.00 -0.00 0.00 0.00 60.37 60.73 1xrz h HIS 21 Cb 0.54 0.46 -0.04 0.00 -0.00 0.00 0.00 27.41 28.37 1xrz h HIS 21 CO -0.61 -0.37 0.20 0.82 -0.00 0.00 0.00 177.93 177.97 1xrz h ILE 22 N -0.16 0.97 0.00 6.26 2.04 -0.40 0.16 117.51 126.38 1xrz h ILE 22 Ca 0.23 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1xrz h ILE 22 Cb 0.54 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1xrz h ILE 22 CO -0.65 0.07 0.00 1.17 0.00 0.00 0.00 178.15 178.74 1xrz n LYS 23 N -4.93 0.30 -0.04 2.37 4.81 -0.38 -2.05 118.16 118.25 1xrz n LYS 23 Ca 0.02 0.08 -0.08 0.00 -0.87 0.00 0.00 58.31 57.46 1xrz n LYS 23 Cb 0.10 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.62 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 -1.13 0.45 0.38 3.15 -1.04 -0.32 -4.69 114.28 111.08 1xrz n THR 24 Ca 0.08 -0.13 0.09 0.00 -2.04 0.00 0.00 64.05 62.05 1xrz n THR 24 Cb 0.07 -1.39 0.14 0.00 -1.82 0.00 0.00 70.33 67.33 1xrz n THR 24 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xrz n LYS 25 N -3.20 2.03 0.05 -2.82 5.02 0.40 -4.18 118.16 115.47 1xrz n LYS 25 Ca -0.16 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 1xrz n LYS 25 Cb 0.62 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1xrz n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xrz n HIS 26 N 1.10 -0.32 -0.35 2.13 8.25 -0.93 -2.45 115.22 122.66 1xrz n HIS 26 Ca 0.14 0.06 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 1xrz n HIS 26 Cb 0.49 0.09 0.19 0.00 1.12 0.00 0.00 29.99 31.88 1xrz n HIS 26 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1xrz h SER 27 N 0.00 -0.78 0.00 0.41 0.02 -1.69 -3.30 113.55 108.22 1xrz h SER 27 Ca 0.00 0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1xrz h SER 27 Cb 0.23 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1xrz h SER 27 CO 0.00 -0.34 -1.27 0.29 -1.14 0.00 0.00 176.83 174.37 1xrz n LYS 28 N -5.58 0.12 -3.88 3.45 5.02 -1.26 -5.08 118.16 110.94 1xrz n LYS 28 Ca 0.18 0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 1xrz n LYS 28 Cb 0.58 -1.04 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 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 -2.09 2.28 0.00 1.97 2.12 -1.24 -5.10 118.70 116.63 1xrz s GLU 29 Ca -0.06 -1.96 0.00 0.00 0.36 0.00 0.00 54.97 53.30 1xrz s GLU 29 Cb 0.02 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1xrz s GLU 29 CO 0.11 -0.54 0.40 0.36 -0.54 0.00 0.00 175.26 175.04