#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 4.72 0.00 5.31 0.04 -1.26 -4.92 135.00 138.89 1zaq s PRO 2 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1zaq s PRO 2 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1zaq s PRO 2 CO 0.00 0.30 0.00 0.28 0.04 0.00 0.00 177.00 177.62 1zaq n VAL 3 N 1.69 0.00 -1.77 -0.36 0.31 -1.26 -5.15 118.33 111.78 1zaq n VAL 3 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1zaq n VAL 3 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1zaq n VAL 3 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1zaq n ASP 4 N -0.64 -9.20 0.00 4.52 8.00 -1.26 -4.33 116.55 113.64 1zaq n ASP 4 Ca 0.00 1.31 0.00 0.00 0.71 0.00 0.00 54.79 56.81 1zaq n ASP 4 Cb 0.00 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.15 1zaq n ASP 4 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1zaq n PRO 5 N 0.09 0.00 -0.04 -0.24 -0.04 -1.26 -3.36 135.00 130.15 1zaq n PRO 5 Ca 0.00 0.74 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 1zaq n PRO 5 Cb 0.00 -1.25 0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1zaq n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zaq n PHE 7 N 0.47 -2.65 0.00 0.00 7.35 -1.22 -4.71 117.46 116.70 1zaq n PHE 7 Ca 0.06 1.09 0.00 0.00 -0.76 0.00 0.00 57.45 57.84 1zaq n PHE 7 Cb 0.27 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.52 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 -1.03 0.00 -1.48 -4.13 1.74 -1.26 -5.13 116.66 105.37 1zaq n ARG 8 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1zaq n ARG 8 Cb 0.64 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.08 1zaq n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zaq n ALA 9 N 0.00 0.00 -2.37 7.54 0.00 -1.26 -5.05 120.51 119.36 1zaq n ALA 9 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1zaq n ALA 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1zaq n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1zaq n ASN 10 N -2.13 4.88 -4.94 0.00 4.13 -1.26 -4.76 115.26 111.17 1zaq n ASN 10 Ca 0.00 -3.02 -0.25 0.00 1.68 0.00 0.00 54.58 52.99 1zaq n ASN 10 Cb 0.00 -1.55 -0.02 0.00 -1.54 0.00 0.00 39.78 36.66 1zaq n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1zaq n GLU 12 N -1.28 0.05 0.00 0.00 0.00 -1.26 -4.76 120.64 113.39 1zaq n GLU 12 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1zaq n GLU 12 Cb 0.55 -0.35 0.00 0.00 0.00 0.00 0.00 31.44 31.65 1zaq n GLU 12 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1zaq n TYR 13 N -2.95 0.00 -2.75 4.31 9.36 -1.23 -4.96 117.16 118.95 1zaq n TYR 13 Ca -0.01 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.00 1zaq n TYR 13 Cb 0.05 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 38.81 1zaq n TYR 13 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1zaq s GLN 14 N 0.00 2.30 0.10 2.98 -1.52 -1.26 -4.94 119.66 117.32 1zaq s GLN 14 Ca 0.00 -1.09 -0.11 0.00 -1.95 0.00 0.00 55.36 52.20 1zaq s GLN 14 Cb 0.00 -2.51 0.01 0.00 -0.22 0.00 0.00 33.01 30.29 1zaq s GLN 14 CO 0.00 -0.88 0.27 0.00 -0.25 0.00 0.00 175.29 174.43 1zaq n GLN 16 N -0.06 1.30 -0.91 0.00 -0.06 0.13 -4.72 117.38 113.06 1zaq n GLN 16 Ca -0.16 -2.34 -0.33 0.00 -2.00 0.00 0.00 57.00 52.18 1zaq n GLN 16 Cb 0.63 -0.50 0.03 0.00 -4.06 0.00 0.00 30.24 26.34 1zaq n GLN 16 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1zaq n PRO 17 N -0.65 0.00 -2.58 3.69 -0.04 -0.67 -3.87 135.00 130.87 1zaq n PRO 17 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1zaq n PRO 17 Cb 0.84 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 3.17 -6.20 -4.01 1.53 4.32 -0.76 -4.65 117.00 110.40 1zaq n LEU 18 Ca -0.02 0.24 -0.32 0.00 -0.02 0.00 0.00 56.01 55.88 1zaq n LEU 18 Cb 0.54 -2.80 -0.13 0.00 -1.62 0.00 0.00 43.42 39.41 1zaq n LEU 18 CO 0.47 -1.45 -0.13 0.21 -1.22 0.00 0.00 177.39 175.27 1zaq s ASN 19 N -2.42 4.70 0.00 -1.43 2.47 -0.45 -4.86 114.94 112.94 1zaq s ASN 19 Ca 0.12 -2.83 0.00 0.00 0.42 0.00 0.00 52.86 50.57 1zaq s ASN 19 Cb -0.03 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1zaq s ASN 19 CO 0.58 -0.30 0.00 1.67 -3.72 0.00 0.00 177.10 175.32 1zaq n GLN 20 N 3.41 0.00 -2.22 0.43 7.27 -1.26 -3.41 117.38 121.60 1zaq n GLN 20 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.11 1zaq n GLN 20 Cb 0.35 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.05 1zaq n GLN 20 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1zaq n THR 21 N 0.00 0.42 -0.27 1.69 5.66 -1.26 -5.10 114.28 115.41 1zaq n THR 21 Ca 0.00 -1.46 0.00 0.00 -3.05 0.00 0.00 64.05 59.54 1zaq n THR 21 Cb 0.00 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 1zaq n THR 21 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1zaq n SER 22 N -0.60 2.42 -3.82 1.09 7.64 -1.22 -5.11 113.62 114.03 1zaq n SER 22 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.68 1zaq n SER 22 Cb 0.87 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.93 1zaq n SER 22 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1zaq s TYR 23 N 0.13 -0.04 0.02 1.43 -0.85 -1.26 -1.35 117.35 115.43 1zaq s TYR 23 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 1zaq s TYR 23 Cb 0.00 -0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 1zaq s TYR 23 CO 0.00 -0.06 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.77 1zaq s LEU 24 N 0.44 2.20 0.46 -3.49 2.96 -1.25 -4.80 118.68 115.20 1zaq s LEU 24 Ca -0.03 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1zaq s LEU 24 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.65 1zaq s LEU 24 CO -0.01 -0.23 0.09 0.00 -1.32 0.00 0.00 176.35 174.87 1zaq n VAL 26 N -1.08 0.00 0.00 0.00 0.31 -0.64 -4.46 118.33 112.45 1zaq n VAL 26 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1zaq n VAL 26 Cb 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 -2.25 0.00 -3.25 0.00 0.00 -1.26 -3.52 120.51 110.24 1zaq n ALA 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1zaq n ALA 28 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1zaq n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1zaq n GLU 29 N 0.00 2.23 0.00 0.00 2.13 -1.26 -4.74 120.64 119.01 1zaq n GLU 29 Ca 0.00 -4.35 0.00 0.00 0.66 0.00 0.00 57.16 53.47 1zaq n GLU 29 Cb 0.00 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1zaq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zaq n GLY 30 N 0.65 1.18 0.00 8.31 0.00 -1.26 -5.15 105.19 108.91 1zaq n GLY 30 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.08 1.61 3.01 -1.26 -3.63 117.46 114.10 1zaq n PHE 31 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1zaq n PHE 31 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1zaq n PHE 31 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1zaq n ALA 32 N -3.00 3.54 -1.50 4.37 0.00 -1.26 -4.36 120.51 118.30 1zaq n ALA 32 Ca 0.00 -4.17 -0.36 0.00 0.00 0.00 0.00 53.44 48.91 1zaq n ALA 32 Cb 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 19.45 18.47 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 0.12 0.04 -0.85 0.00 -0.01 -1.26 -3.81 135.00 129.23 1zaq n PRO 33 Ca 0.28 -0.01 -0.35 0.00 -0.01 0.00 0.00 63.50 63.41 1zaq n PRO 33 Cb 0.50 -1.47 0.10 0.00 -0.01 0.00 0.00 33.50 32.62 1zaq n PRO 33 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 175.50 175.93 1zaq n ILE 34 N 7.08 0.00 -0.09 4.25 -5.35 -0.99 -4.92 119.36 119.34 1zaq n ILE 34 Ca 0.65 -0.23 -0.10 0.00 -0.27 0.00 0.00 62.75 62.80 1zaq n ILE 34 Cb 0.07 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.50 1zaq n ILE 34 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1zaq n PRO 35 N 0.19 0.68 -0.28 6.28 -0.04 -1.26 -4.22 135.00 136.35 1zaq n PRO 35 Ca 0.00 0.05 0.33 0.00 -0.04 0.00 0.00 63.50 63.85 1zaq n PRO 35 Cb 0.64 -1.57 0.63 0.00 -0.04 0.00 0.00 33.50 33.16 1zaq n PRO 35 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1zaq h HIS 36 N 0.00 0.00 0.00 0.54 3.86 -2.00 -3.39 115.15 114.16 1zaq h HIS 36 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1zaq h HIS 36 Cb 2.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.66 1zaq h HIS 36 CO 0.00 0.00 0.00 -1.91 0.86 0.00 0.00 177.93 176.88 1zaq n GLU 37 N -3.62 0.00 -1.45 2.45 2.13 -1.26 -5.15 120.64 113.73 1zaq n GLU 37 Ca 0.25 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.73 1zaq n GLU 37 Cb 1.42 0.00 0.09 0.00 0.27 0.00 0.00 31.44 33.22 1zaq n GLU 37 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1zaq s PRO 38 N 0.00 2.19 0.00 5.31 0.04 -1.26 -3.77 135.00 137.51 1zaq s PRO 38 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1zaq s PRO 38 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1zaq s PRO 38 CO 0.00 -1.78 0.00 -2.39 0.04 0.00 0.00 177.00 172.87 1zaq n HIS 39 N -2.73 0.00 -4.87 0.56 1.44 -1.23 -4.89 115.22 103.50 1zaq n HIS 39 Ca 0.13 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.56 1zaq n HIS 39 Cb 0.50 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.45 1zaq n HIS 39 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1zaq s ARG 40 N -0.74 2.15 0.03 -1.40 0.52 -1.25 -4.29 118.95 113.97 1zaq s ARG 40 Ca 0.00 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.66 1zaq s ARG 40 Cb 0.00 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 1zaq s ARG 40 CO 0.00 0.15 -0.23 0.00 0.02 0.00 0.00 175.30 175.24 1zaq n GLN 42 N 2.03 2.84 -2.62 0.00 6.02 -1.25 -4.88 117.38 119.53 1zaq n GLN 42 Ca -0.17 -2.21 -0.02 0.00 -0.01 0.00 0.00 57.00 54.60 1zaq n GLN 42 Cb 0.53 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 1zaq n GLN 42 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1zaq n MET 43 N 0.06 -2.77 0.00 -1.09 0.00 -1.26 -4.74 117.12 107.32 1zaq n MET 43 Ca 0.13 2.14 0.00 0.00 -0.00 0.00 0.00 57.70 59.97 1zaq n MET 43 Cb 0.53 -2.75 0.00 0.00 0.00 0.00 0.00 33.22 31.00 1zaq n MET 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31