#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zaq s PRO 2 N 0.00 -0.96 -0.71 3.49 0.04 -1.26 -4.42 135.00 131.18 1zaq s PRO 2 Ca 0.00 0.04 -0.04 0.00 0.04 0.00 0.00 61.00 61.04 1zaq s PRO 2 Cb 0.00 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.93 1zaq s PRO 2 CO 0.00 -3.56 0.67 0.28 0.04 0.00 0.00 177.00 174.42 1zaq n VAL 3 N -4.67 -8.65 -4.10 -0.36 0.31 -1.26 -5.01 118.33 94.58 1zaq n VAL 3 Ca 0.12 -0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.25 1zaq n VAL 3 Cb 0.59 -6.03 -0.15 0.00 -0.91 0.00 0.00 33.84 27.34 1zaq n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1zaq s ASP 4 N -2.88 0.60 0.07 4.52 1.11 -1.26 -5.02 116.67 113.80 1zaq s ASP 4 Ca 0.05 -0.08 -0.23 0.00 0.18 0.00 0.00 52.55 52.47 1zaq s ASP 4 Cb -0.01 -0.16 -0.09 0.00 1.07 0.00 0.00 42.92 43.73 1zaq s ASP 4 CO 0.79 0.01 1.37 1.55 1.18 0.00 0.00 175.17 180.07 1zaq h PRO 5 N 6.45 -0.41 0.00 8.23 0.13 -1.87 -3.13 132.00 141.41 1zaq h PRO 5 Ca -0.32 0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 1zaq h PRO 5 Cb 1.17 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1zaq h PRO 5 CO 0.49 -0.27 -1.61 0.00 -0.23 0.00 0.00 178.00 176.38 1zaq n PHE 7 N -2.83 0.00 0.48 0.00 7.35 -1.18 -4.56 117.46 116.72 1zaq n PHE 7 Ca -0.13 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.61 1zaq n PHE 7 Cb 0.87 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.89 1zaq n PHE 7 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1zaq n ARG 8 N 0.00 2.34 0.00 -4.13 0.63 -1.26 -4.86 116.66 109.38 1zaq n ARG 8 Ca 0.00 -1.46 0.00 0.00 -0.92 0.00 0.00 57.85 55.47 1zaq n ARG 8 Cb 0.00 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.37 1zaq n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zaq n ALA 9 N 0.49 0.00 -2.50 5.13 0.00 -1.26 -4.82 120.51 117.54 1zaq n ALA 9 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 1zaq n ALA 9 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1zaq n ALA 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1zaq s ASN 10 N 0.00 6.48 0.49 0.00 2.47 -1.26 -3.91 114.94 119.21 1zaq s ASN 10 Ca 0.00 -1.99 0.01 0.00 0.42 0.00 0.00 52.86 51.30 1zaq s ASN 10 Cb 0.00 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.23 1zaq s ASN 10 CO 0.00 -1.53 0.71 0.00 -3.72 0.00 0.00 177.10 172.56 1zaq n GLU 12 N -2.18 0.00 0.00 0.00 4.07 -1.16 -4.79 120.64 116.58 1zaq n GLU 12 Ca 0.04 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1zaq n GLU 12 Cb 0.58 -0.44 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 1zaq n GLU 12 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1zaq n TYR 13 N -1.98 -0.01 0.00 4.31 4.19 -1.26 -5.03 117.16 117.38 1zaq n TYR 13 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1zaq n TYR 13 Cb 0.00 0.02 0.00 0.00 0.49 0.00 0.00 39.34 39.85 1zaq n TYR 13 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1zaq n GLN 14 N -3.01 1.48 0.00 2.98 0.00 -1.26 -5.07 117.38 112.50 1zaq n GLN 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1zaq n GLN 14 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.69 1zaq n GLN 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1zaq n GLN 16 N 0.00 2.16 -0.96 0.00 10.64 -1.26 -4.96 117.38 122.99 1zaq n GLN 16 Ca 0.00 -3.55 -0.37 0.00 -1.83 0.00 0.00 57.00 51.25 1zaq n GLN 16 Cb 0.00 -1.66 0.05 0.00 -0.86 0.00 0.00 30.24 27.77 1zaq n GLN 16 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1zaq n PRO 17 N -0.56 -0.16 -0.90 2.61 -0.04 -1.26 -4.46 135.00 130.24 1zaq n PRO 17 Ca 0.20 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1zaq n PRO 17 Cb 0.89 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1zaq n PRO 17 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1zaq n LEU 18 N 2.86 -1.20 0.00 1.53 4.77 -1.16 -4.69 117.00 119.11 1zaq n LEU 18 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1zaq n LEU 18 Cb 0.69 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1zaq n LEU 18 CO 0.47 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.07 1zaq n ASN 19 N -0.07 0.00 -0.00 -1.43 6.94 -0.66 -4.90 115.26 115.14 1zaq n ASN 19 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1zaq n ASN 19 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1zaq n ASN 19 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1zaq h GLN 20 N 0.00 -0.01 -1.20 -3.83 4.20 -2.01 -3.36 115.11 108.90 1zaq h GLN 20 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 1zaq h GLN 20 Cb 0.00 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.38 1zaq h GLN 20 CO 0.00 -0.01 -1.20 -2.37 -0.67 0.00 0.00 178.83 174.59 1zaq n THR 21 N -2.75 0.74 -2.31 -0.54 5.66 -1.26 -5.09 114.28 108.73 1zaq n THR 21 Ca -0.00 -3.36 0.00 0.00 -3.05 0.00 0.00 64.05 57.63 1zaq n THR 21 Cb 0.01 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1zaq n THR 21 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1zaq n SER 22 N 0.01 0.00 -0.40 1.09 2.88 -1.26 -5.16 113.62 110.78 1zaq n SER 22 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1zaq n SER 22 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1zaq n SER 22 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1zaq n TYR 23 N 0.00 0.00 -3.25 0.66 4.01 -1.26 -1.65 117.16 115.67 1zaq n TYR 23 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1zaq n TYR 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1zaq n TYR 23 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1zaq n LEU 24 N 0.00 0.00 0.00 7.72 0.00 -1.26 -2.76 117.00 120.70 1zaq n LEU 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1zaq n LEU 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1zaq n LEU 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.39 1zaq n VAL 26 N -1.33 0.00 0.00 0.00 0.31 -1.26 -4.27 118.33 111.78 1zaq n VAL 26 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1zaq n VAL 26 Cb 0.00 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1zaq n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zaq n ALA 28 N -2.81 0.00 -0.26 0.00 0.00 -1.26 -4.15 120.51 112.03 1zaq n ALA 28 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1zaq n ALA 28 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1zaq n ALA 28 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1zaq h GLU 29 N 0.00 1.10 0.00 0.00 4.81 -2.03 -3.44 114.58 115.02 1zaq h GLU 29 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1zaq h GLU 29 Cb 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1zaq h GLU 29 CO 0.00 0.93 0.00 0.41 -0.73 0.00 0.00 179.01 179.62 1zaq n GLY 30 N -0.78 -1.64 0.00 1.92 0.00 -1.26 -5.17 105.19 98.26 1zaq n GLY 30 Ca 0.06 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1zaq n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1zaq n PHE 31 N 0.00 0.00 -3.76 1.61 3.72 -1.26 -4.62 117.46 113.15 1zaq n PHE 31 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1zaq n PHE 31 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1zaq n PHE 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1zaq n ALA 32 N -3.00 3.63 -1.39 4.37 0.00 -0.71 -4.50 120.51 118.91 1zaq n ALA 32 Ca 0.00 -4.60 -0.50 0.00 0.00 0.00 0.00 53.44 48.33 1zaq n ALA 32 Cb 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 1zaq n ALA 32 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1zaq n PRO 33 N 1.71 0.20 -1.82 0.00 -0.02 -1.26 -3.67 135.00 130.14 1zaq n PRO 33 Ca 0.22 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1zaq n PRO 33 Cb 0.36 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1zaq n PRO 33 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1zaq s ILE 34 N 7.64 2.45 0.33 4.25 -4.36 -1.23 -4.85 121.20 125.45 1zaq s ILE 34 Ca 1.23 0.23 0.27 0.00 -0.26 0.00 0.00 60.65 62.12 1zaq s ILE 34 Cb -1.25 -3.15 0.28 0.00 1.25 0.00 0.00 42.46 39.59 1zaq s ILE 34 CO 0.55 0.01 2.00 1.55 0.24 0.00 0.00 174.94 179.29 1zaq h PRO 35 N 7.34 0.00 -0.04 0.37 0.13 -1.92 -2.36 132.00 135.52 1zaq h PRO 35 Ca -0.43 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1zaq h PRO 35 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1zaq h PRO 35 CO 0.94 0.15 0.33 0.45 -0.23 0.00 0.00 178.00 179.64 1zaq h HIS 36 N 0.00 0.00 -1.39 1.56 3.86 -1.97 -3.42 115.15 113.79 1zaq h HIS 36 Ca -0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1zaq h HIS 36 Cb 0.46 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.68 1zaq h HIS 36 CO 0.00 0.00 0.69 -1.21 0.86 0.00 0.00 177.93 178.27 1zaq s GLU 37 N -4.15 0.41 -0.45 2.45 0.41 -0.89 -5.12 118.70 111.36 1zaq s GLU 37 Ca -0.03 0.10 -0.11 0.00 -0.41 0.00 0.00 54.97 54.51 1zaq s GLU 37 Cb 0.09 0.19 0.09 0.00 -1.78 0.00 0.00 34.13 32.73 1zaq s GLU 37 CO 0.31 -0.13 0.33 -1.25 -0.49 0.00 0.00 175.26 174.03 1zaq s PRO 38 N -1.09 2.68 0.00 0.39 0.04 -1.26 -4.36 135.00 131.40 1zaq s PRO 38 Ca 0.02 -1.54 0.00 0.00 0.04 0.00 0.00 61.00 59.52 1zaq s PRO 38 Cb -0.01 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1zaq s PRO 38 CO -0.02 -1.06 0.00 -2.39 0.04 0.00 0.00 177.00 173.57 1zaq n HIS 39 N 5.00 0.00 -4.34 0.56 1.44 -1.26 -4.31 115.22 112.31 1zaq n HIS 39 Ca -0.10 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.39 1zaq n HIS 39 Cb 0.42 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.42 1zaq n HIS 39 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1zaq s ARG 40 N 0.00 1.29 0.00 -1.40 3.52 -1.26 -3.01 118.95 118.09 1zaq s ARG 40 Ca 0.00 -1.42 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 1zaq s ARG 40 Cb 0.00 -1.35 0.00 0.00 -1.56 0.00 0.00 34.95 32.04 1zaq s ARG 40 CO 0.00 0.27 0.00 0.00 -0.81 0.00 0.00 175.30 174.76 1zaq s GLN 42 N 0.37 0.21 -0.99 0.00 -0.21 -1.24 -4.90 119.66 112.90 1zaq s GLN 42 Ca 0.00 0.70 -0.12 0.00 0.02 0.00 0.00 55.36 55.96 1zaq s GLN 42 Cb 0.00 -0.18 -0.32 0.00 1.00 0.00 0.00 33.01 33.51 1zaq s GLN 42 CO 0.00 -0.38 2.22 0.00 -2.12 0.00 0.00 175.29 175.02 1zaq n MET 43 N 5.36 0.02 -0.06 2.91 0.00 -1.26 -1.74 117.12 122.34 1zaq n MET 43 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1zaq n MET 43 Cb 0.50 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.57 1zaq n MET 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16