#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zaq n PRO 2 N 0.00 -1.66 -2.68 3.49 -0.02 -1.26 -5.01 135.00 127.86 1zaq n PRO 2 Ca 0.00 -0.29 -0.08 0.00 -2.02 0.00 0.00 63.50 61.11 1zaq n PRO 2 Cb 0.00 -0.30 0.03 0.00 -0.02 0.00 0.00 33.50 33.22 1zaq n PRO 2 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1zaq n VAL 3 N -3.06 1.24 -1.86 -1.45 3.14 -1.26 -5.09 118.33 109.98 1zaq n VAL 3 Ca 0.03 -3.17 -0.41 0.00 -2.96 0.00 0.00 64.34 57.82 1zaq n VAL 3 Cb 0.10 0.69 -0.01 0.00 -1.06 0.00 0.00 33.84 33.56 1zaq n VAL 3 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1zaq s ASP 4 N -3.40 6.45 0.03 6.55 1.01 -1.26 -4.90 116.67 121.15 1zaq s ASP 4 Ca 0.29 2.92 -0.05 0.00 0.71 0.00 0.00 52.55 56.42 1zaq s ASP 4 Cb 0.41 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1zaq s ASP 4 CO -0.00 -0.82 1.06 -2.65 0.21 0.00 0.00 175.17 172.97 1zaq n PRO 5 N 1.37 -0.07 0.05 8.23 -0.02 -1.26 -1.92 135.00 141.38 1zaq n PRO 5 Ca 0.04 1.06 -0.11 0.00 -2.02 0.00 0.00 63.50 62.47 1zaq n PRO 5 Cb 0.39 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 1zaq n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zaq n PHE 7 N -3.35 0.00 -1.97 0.00 7.35 -0.81 -4.67 117.46 114.02 1zaq n PHE 7 Ca -0.08 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.29 1zaq n PHE 7 Cb 0.99 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.86 1zaq n PHE 7 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1zaq n ARG 8 N 0.00 3.08 0.00 -4.13 5.12 -1.26 -4.94 116.66 114.53 1zaq n ARG 8 Ca 0.00 -3.86 0.00 0.00 -1.93 0.00 0.00 57.85 52.06 1zaq n ARG 8 Cb 0.00 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.03 1zaq n ARG 8 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zaq n ALA 9 N -0.63 0.00 -3.37 7.54 0.00 -1.26 -4.90 120.51 117.89 1zaq n ALA 9 Ca 0.50 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.48 1zaq n ALA 9 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1zaq n ALA 9 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1zaq s ASN 10 N 0.00 6.52 0.17 0.00 -0.87 -1.26 -4.55 114.94 114.95 1zaq s ASN 10 Ca 0.00 -2.55 0.06 0.00 -1.57 0.00 0.00 52.86 48.80 1zaq s ASN 10 Cb 0.00 -2.17 -0.04 0.00 -0.02 0.00 0.00 41.25 39.02 1zaq s ASN 10 CO 0.00 -0.60 0.07 0.00 -2.57 0.00 0.00 177.10 174.00 1zaq n GLU 12 N -0.28 2.35 0.00 0.00 4.07 -1.25 -4.88 120.64 120.66 1zaq n GLU 12 Ca -0.09 -3.54 0.00 0.00 -0.06 0.00 0.00 57.16 53.47 1zaq n GLU 12 Cb 0.55 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 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 -0.98 0.00 -2.04 4.31 9.36 -1.26 -4.79 117.16 121.76 1zaq n TYR 13 Ca 0.34 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1zaq n TYR 13 Cb 0.88 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.59 1zaq n TYR 13 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1zaq n GLN 14 N 0.00 1.92 -3.17 2.98 1.13 -1.26 -4.96 117.38 114.01 1zaq n GLN 14 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1zaq n GLN 14 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 1zaq n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zaq n GLN 16 N 5.43 2.97 -1.54 0.00 10.64 0.15 -4.96 117.38 130.07 1zaq n GLN 16 Ca -0.04 -4.58 -0.29 0.00 -1.83 0.00 0.00 57.00 50.26 1zaq n GLN 16 Cb 0.52 -2.37 -0.08 0.00 -0.86 0.00 0.00 30.24 27.45 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 1.47 0.62 0.00 2.61 -0.04 -1.13 -3.33 135.00 135.21 1zaq n PRO 17 Ca 0.26 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1zaq n PRO 17 Cb 0.37 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1zaq n PRO 17 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1zaq n LEU 18 N 14.82 0.00 -3.51 1.53 -0.00 -0.97 -4.75 117.00 124.11 1zaq n LEU 18 Ca 0.48 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 56.20 1zaq n LEU 18 Cb 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.68 1zaq n LEU 18 CO 0.74 0.00 -0.32 0.21 -0.00 0.00 0.00 177.39 178.02 1zaq s ASN 19 N 0.00 3.22 0.00 1.45 2.47 -0.65 -4.78 114.94 116.65 1zaq s ASN 19 Ca 0.00 -1.92 0.00 0.00 0.42 0.00 0.00 52.86 51.36 1zaq s ASN 19 Cb 0.00 -0.44 0.00 0.00 -1.45 0.00 0.00 41.25 39.36 1zaq s ASN 19 CO 0.00 -0.35 0.00 1.67 -3.72 0.00 0.00 177.10 174.70 1zaq n GLN 20 N 4.40 0.00 -1.61 0.43 0.00 -1.26 -3.16 117.38 116.19 1zaq n GLN 20 Ca 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.07 1zaq n GLN 20 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.63 1zaq n GLN 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1zaq n THR 21 N 0.00 0.16 -0.84 1.69 -2.24 -1.26 -5.10 114.28 106.69 1zaq n THR 21 Ca 0.00 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1zaq n THR 21 Cb 0.00 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1zaq n THR 21 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1zaq n SER 22 N 0.15 1.16 0.00 3.42 7.64 -1.19 -5.12 113.62 119.68 1zaq n SER 22 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1zaq n SER 22 Cb 0.99 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1zaq n SER 22 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1zaq n TYR 23 N 0.00 0.00 0.00 1.43 4.01 -1.26 -1.63 117.16 119.71 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 7.94 -1.21 -2.59 117.00 128.86 1zaq n LEU 24 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 1zaq n LEU 24 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1zaq n LEU 24 CO 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 177.39 176.18 1zaq n VAL 26 N -0.57 0.00 0.00 0.00 0.24 -1.26 -4.15 118.33 112.60 1zaq n VAL 26 Ca -0.06 -2.10 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 1zaq n VAL 26 Cb 0.35 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1zaq n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zaq n ALA 28 N -3.00 0.00 0.28 0.00 0.00 -1.26 -4.21 120.51 112.32 1zaq n ALA 28 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1zaq n ALA 28 Cb 0.00 0.00 0.96 0.00 0.00 0.00 0.00 19.45 20.41 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 0.00 0.00 0.00 4.57 -1.99 -3.43 114.58 113.73 1zaq h GLU 29 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1zaq h GLU 29 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1zaq h GLU 29 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 1zaq n GLY 30 N -1.17 -0.59 1.67 1.92 0.00 -1.26 -5.16 105.19 100.60 1zaq n GLY 30 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.61 -2.98 1.61 3.01 -1.26 -4.70 117.46 108.52 1zaq n PHE 31 Ca 0.00 2.46 -0.44 0.00 1.01 0.00 0.00 57.45 60.48 1zaq n PHE 31 Cb 0.00 -3.66 -0.04 0.00 -0.01 0.00 0.00 39.48 35.77 1zaq n PHE 31 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1zaq s ALA 32 N -3.65 3.28 0.04 4.37 0.00 -1.20 -4.46 121.76 120.14 1zaq s ALA 32 Ca 0.00 -2.08 -0.38 0.00 0.00 0.00 0.00 51.96 49.50 1zaq s ALA 32 Cb 0.00 -3.71 -0.19 0.00 0.00 0.00 0.00 23.12 19.22 1zaq s ALA 32 CO 0.00 -2.58 1.15 -2.30 0.00 0.00 0.00 175.76 172.03 1zaq n PRO 33 N 6.98 0.40 -2.01 0.00 -0.02 -1.26 -2.67 135.00 136.40 1zaq n PRO 33 Ca -0.05 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 1zaq n PRO 33 Cb 0.44 -1.68 0.19 0.00 -0.02 0.00 0.00 33.50 32.44 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 0.13 2.00 -2.09 4.25 -4.36 -1.24 -4.90 121.20 114.99 1zaq s ILE 34 Ca 0.88 -0.07 0.22 0.00 -0.26 0.00 0.00 60.65 61.42 1zaq s ILE 34 Cb -1.15 -2.93 0.51 0.00 1.25 0.00 0.00 42.46 40.13 1zaq s ILE 34 CO 0.54 0.00 1.44 -0.81 0.24 0.00 0.00 174.94 176.34 1zaq n PRO 35 N -3.75 2.59 0.00 0.37 -0.05 -1.26 -4.30 135.00 128.60 1zaq n PRO 35 Ca 0.17 -2.41 0.00 0.00 -0.05 0.00 0.00 63.50 61.20 1zaq n PRO 35 Cb 0.59 -1.51 0.00 0.00 -0.05 0.00 0.00 33.50 32.53 1zaq n PRO 35 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 1zaq n HIS 36 N 1.47 0.00 -3.66 0.54 1.44 -1.26 -5.04 115.22 108.71 1zaq n HIS 36 Ca 0.21 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.85 1zaq n HIS 36 Cb 0.59 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.63 1zaq n HIS 36 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1zaq s GLU 37 N -0.39 0.50 -0.11 -1.40 2.02 -1.26 -5.06 118.70 112.98 1zaq s GLU 37 Ca 0.00 1.16 -0.05 0.00 0.02 0.00 0.00 54.97 56.10 1zaq s GLU 37 Cb 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.60 1zaq s GLU 37 CO 0.00 -0.20 -0.10 -1.35 0.02 0.00 0.00 175.26 173.64 1zaq h PRO 38 N 7.67 0.00 -0.66 0.39 0.11 -1.91 -3.29 132.00 134.32 1zaq h PRO 38 Ca -0.23 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.07 1zaq h PRO 38 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1zaq h PRO 38 CO 0.16 0.00 0.79 1.12 -0.21 0.00 0.00 178.00 179.86 1zaq h HIS 39 N -0.92 0.00 -3.39 0.65 2.07 -1.75 -3.34 115.15 108.47 1zaq h HIS 39 Ca 0.00 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.86 1zaq h HIS 39 Cb 0.27 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.07 1zaq h HIS 39 CO -0.12 0.00 -0.65 1.03 -3.07 0.00 0.00 177.93 175.13 1zaq s ARG 40 N -4.50 3.19 0.15 5.12 0.52 -1.25 -3.79 118.95 118.39 1zaq s ARG 40 Ca -0.03 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.59 1zaq s ARG 40 Cb 0.14 -2.81 0.01 0.00 0.52 0.00 0.00 34.95 32.81 1zaq s ARG 40 CO 0.49 0.54 0.34 0.00 0.02 0.00 0.00 175.30 176.68 1zaq n GLN 42 N -0.21 3.50 -3.92 0.00 6.02 -1.09 -4.79 117.38 116.88 1zaq n GLN 42 Ca -0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.58 1zaq n GLN 42 Cb 0.63 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.74 1zaq n GLN 42 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1zaq s MET 43 N 1.57 1.28 0.00 -1.09 1.75 -1.26 -3.21 119.30 118.33 1zaq s MET 43 Ca 0.00 -1.51 0.23 0.00 -1.25 0.00 0.00 55.69 53.16 1zaq s MET 43 Cb 0.00 -2.74 1.36 0.00 2.84 0.00 0.00 34.83 36.29 1zaq s MET 43 CO 0.00 -0.90 1.73 0.34 -0.65 0.00 0.00 175.02 175.54