#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 2.26 0.00 3.49 0.02 -1.26 -4.52 135.00 134.99 1zaq s PRO 2 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 61.00 61.35 1zaq s PRO 2 Cb 0.00 -4.79 0.01 0.00 0.02 0.00 0.00 34.50 29.74 1zaq s PRO 2 CO 0.00 -3.51 0.92 1.55 -0.33 0.00 0.00 177.00 175.63 1zaq n VAL 3 N 7.99 0.00 -4.49 3.83 3.14 -1.26 -5.07 118.33 122.47 1zaq n VAL 3 Ca 0.37 -0.01 -0.25 0.00 -2.96 0.00 0.00 64.34 61.49 1zaq n VAL 3 Cb 0.48 0.43 -0.17 0.00 -1.06 0.00 0.00 33.84 33.52 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 -0.85 1.85 0.00 6.55 1.11 -1.26 -5.07 116.67 119.00 1zaq s ASP 4 Ca 0.00 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.43 1zaq s ASP 4 Cb 0.01 -0.84 0.00 0.00 1.07 0.00 0.00 42.92 43.16 1zaq s ASP 4 CO -0.00 0.01 0.45 -0.81 1.18 0.00 0.00 175.17 176.00 1zaq n PRO 5 N 3.97 0.00 -3.16 8.23 -0.04 -1.26 -4.22 135.00 138.52 1zaq n PRO 5 Ca -0.21 0.24 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 1zaq n PRO 5 Cb 0.51 -0.95 -0.05 0.00 -0.04 0.00 0.00 33.50 32.97 1zaq n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zaq h PHE 7 N 3.47 0.00 -1.77 0.00 -5.15 -1.97 -2.46 116.94 109.05 1zaq h PHE 7 Ca 0.14 0.00 0.52 0.00 -0.20 0.00 0.00 57.97 58.43 1zaq h PHE 7 Cb 0.69 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.78 1zaq h PHE 7 CO 0.67 0.00 1.26 0.00 -2.00 0.00 0.00 178.31 178.24 1zaq h ARG 8 N 0.00 0.01 0.00 6.09 -0.00 -1.94 -2.91 114.38 115.63 1zaq h ARG 8 Ca 0.00 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.34 1zaq h ARG 8 Cb 0.43 -0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.27 1zaq h ARG 8 CO 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 179.97 179.70 1zaq n ALA 9 N -2.84 3.46 -3.07 0.04 0.00 -0.94 -4.85 120.51 112.30 1zaq n ALA 9 Ca 0.41 -0.75 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1zaq n ALA 9 Cb 1.83 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 20.83 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 -0.37 -6.68 -1.91 0.00 4.13 -1.10 -4.77 115.26 104.56 1zaq n ASN 10 Ca -0.25 0.72 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1zaq n ASN 10 Cb 0.73 -2.21 0.00 0.00 -1.54 0.00 0.00 39.78 36.76 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 -0.35 0.06 0.00 0.00 2.13 -1.26 -4.95 120.64 116.27 1zaq n GLU 12 Ca 0.00 -1.15 0.00 0.00 0.66 0.00 0.00 57.16 56.67 1zaq n GLU 12 Cb 0.00 0.42 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1zaq n GLU 12 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1zaq n TYR 13 N 0.01 0.00 -3.63 4.31 9.36 -1.26 -4.87 117.16 121.07 1zaq n TYR 13 Ca -0.23 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.60 1zaq n TYR 13 Cb 0.76 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.39 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 2.50 -0.15 2.98 -0.21 -1.26 -5.04 119.66 118.48 1zaq s GLN 14 Ca 0.00 -2.06 -0.29 0.00 0.02 0.00 0.00 55.36 53.03 1zaq s GLN 14 Cb 0.00 -3.85 -0.01 0.00 1.00 0.00 0.00 33.01 30.15 1zaq s GLN 14 CO 0.00 -1.17 1.20 0.00 -2.12 0.00 0.00 175.29 173.20 1zaq n GLN 16 N 6.14 2.76 -1.54 0.00 10.64 -0.53 -4.98 117.38 129.87 1zaq n GLN 16 Ca 0.13 -4.67 -0.34 0.00 -1.83 0.00 0.00 57.00 50.28 1zaq n GLN 16 Cb 0.46 -2.19 -0.06 0.00 -0.86 0.00 0.00 30.24 27.58 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 0.31 0.79 0.00 2.61 -0.04 -1.18 -3.48 135.00 134.01 1zaq n PRO 17 Ca 0.30 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1zaq n PRO 17 Cb 0.41 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 15.06 0.00 -3.63 1.53 -0.00 -0.95 -4.75 117.00 124.26 1zaq n LEU 18 Ca 0.44 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 56.20 1zaq n LEU 18 Cb 0.44 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.69 1zaq n LEU 18 CO 0.74 0.00 -0.34 0.54 -0.00 0.00 0.00 177.39 178.34 1zaq s ASN 19 N 0.00 2.15 0.00 1.45 4.22 -0.56 -4.82 114.94 117.38 1zaq s ASN 19 Ca 0.00 -0.49 0.00 0.00 -2.14 0.00 0.00 52.86 50.23 1zaq s ASN 19 Cb 0.00 -0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.28 1zaq s ASN 19 CO 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 177.10 174.73 1zaq n GLN 20 N 5.26 0.00 -2.76 3.55 1.13 -1.26 -1.62 117.38 121.68 1zaq n GLN 20 Ca -0.06 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.96 1zaq n GLN 20 Cb 0.49 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.88 1zaq n GLN 20 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1zaq n THR 21 N 0.00 1.14 -0.97 5.09 -2.24 -1.26 -5.09 114.28 110.95 1zaq n THR 21 Ca 0.00 -2.96 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 1zaq n THR 21 Cb 0.00 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.38 0.79 0.00 3.42 7.64 -0.64 -5.12 113.62 119.33 1zaq n SER 22 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1zaq n SER 22 Cb 0.81 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.50 117.16 119.84 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 -4.86 7.72 7.94 -1.23 -3.48 117.00 123.10 1zaq n LEU 24 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1zaq n LEU 24 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1zaq n LEU 24 CO 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 177.39 176.23 1zaq s VAL 26 N -2.83 1.34 0.00 0.00 -7.23 -1.18 -4.52 120.40 105.98 1zaq s VAL 26 Ca 0.22 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1zaq s VAL 26 Cb -0.01 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1zaq s VAL 26 CO 0.14 -0.53 0.41 0.00 -0.31 0.00 0.00 175.10 174.80 1zaq n ALA 28 N -0.70 0.00 0.29 0.00 0.00 -1.26 -4.32 120.51 114.52 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 0.91 0.00 0.00 0.00 0.00 19.45 20.36 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 4.22 -2.00 -3.43 114.58 113.37 1zaq h GLU 29 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1zaq h GLU 29 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1zaq h GLU 29 CO 0.00 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.24 1zaq n GLY 30 N -1.25 -0.84 1.91 1.92 0.00 -1.26 -5.16 105.19 100.51 1zaq n GLY 30 Ca -0.01 0.54 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 -4.87 -3.44 1.61 3.01 -1.26 -4.60 117.46 107.91 1zaq n PHE 31 Ca 0.00 2.54 -0.43 0.00 1.01 0.00 0.00 57.45 60.57 1zaq n PHE 31 Cb 0.00 -3.70 -0.07 0.00 -0.01 0.00 0.00 39.48 35.70 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 -2.24 3.55 -0.47 4.37 0.00 -1.25 -4.74 121.76 120.98 1zaq s ALA 32 Ca 0.00 -2.61 -0.45 0.00 0.00 0.00 0.00 51.96 48.90 1zaq s ALA 32 Cb 0.00 -3.05 -0.19 0.00 0.00 0.00 0.00 23.12 19.88 1zaq s ALA 32 CO 0.00 -1.98 1.84 -2.30 0.00 0.00 0.00 175.76 173.32 1zaq n PRO 33 N 4.95 0.18 0.01 0.00 -0.02 -1.26 -3.57 135.00 135.28 1zaq n PRO 33 Ca -0.08 0.06 -0.22 0.00 -2.02 0.00 0.00 63.50 61.24 1zaq n PRO 33 Cb 0.41 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 1zaq n PRO 33 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1zaq h ILE 34 N 5.85 0.66 0.00 4.25 3.07 -1.91 -3.31 117.51 126.12 1zaq h ILE 34 Ca -0.31 -2.36 0.00 0.00 1.55 0.00 0.00 64.86 63.74 1zaq h ILE 34 Cb 1.38 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 40.47 1zaq h ILE 34 CO 1.02 0.90 0.00 -0.81 -1.05 0.00 0.00 178.15 178.21 1zaq n PRO 35 N -3.50 0.24 -1.56 0.16 -0.04 -1.26 -4.84 135.00 124.20 1zaq n PRO 35 Ca -0.31 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.19 1zaq n PRO 35 Cb 1.05 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.99 1zaq n PRO 35 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1zaq n HIS 36 N -1.31 -0.13 -4.47 0.54 8.25 -1.25 -5.02 115.22 111.84 1zaq n HIS 36 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 1zaq n HIS 36 Cb 0.16 -1.72 -0.10 0.00 1.12 0.00 0.00 29.99 29.45 1zaq n HIS 36 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1zaq s GLU 37 N -3.27 1.99 -0.90 -0.41 0.41 -1.26 -5.08 118.70 110.18 1zaq s GLU 37 Ca 0.00 -1.96 -0.12 0.00 -0.41 0.00 0.00 54.97 52.48 1zaq s GLU 37 Cb 0.00 -1.77 0.23 0.00 -1.78 0.00 0.00 34.13 30.82 1zaq s GLU 37 CO 0.00 0.02 0.86 -1.25 -0.49 0.00 0.00 175.26 174.39 1zaq s PRO 38 N -3.72 3.74 0.00 0.39 0.04 -1.26 -4.21 135.00 129.98 1zaq s PRO 38 Ca 0.35 -2.70 0.00 0.00 0.04 0.00 0.00 61.00 58.70 1zaq s PRO 38 Cb 0.05 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1zaq s PRO 38 CO 0.19 -1.27 0.00 -2.39 0.04 0.00 0.00 177.00 173.56 1zaq n HIS 39 N 3.56 0.00 -4.14 0.56 1.44 -1.26 -3.99 115.22 111.39 1zaq n HIS 39 Ca 0.17 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.62 1zaq n HIS 39 Cb 0.44 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.39 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 0.00 1.50 0.11 -1.40 0.52 -1.26 -4.03 118.95 114.40 1zaq s ARG 40 Ca 0.00 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.80 1zaq s ARG 40 Cb 0.00 -1.45 0.02 0.00 0.52 0.00 0.00 34.95 34.04 1zaq s ARG 40 CO 0.00 -0.16 0.31 0.00 0.02 0.00 0.00 175.30 175.47 1zaq n GLN 42 N -0.16 3.56 -3.17 0.00 -0.06 -1.23 -4.88 117.38 111.43 1zaq n GLN 42 Ca -0.15 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.50 1zaq n GLN 42 Cb 0.63 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.78 1zaq n GLN 42 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 1zaq n MET 43 N 0.00 3.64 -0.40 3.69 1.56 -1.26 -3.82 117.12 120.54 1zaq n MET 43 Ca 0.00 -4.63 0.00 0.00 -0.27 0.00 0.00 57.70 52.80 1zaq n MET 43 Cb 0.00 -2.39 0.00 0.00 2.15 0.00 0.00 33.22 32.98 1zaq n MET 43 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58