#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 h SER 2 N 0.00 -0.40 -0.71 1.61 0.02 -2.10 -3.19 113.55 108.78 1wr7 h SER 2 Ca 0.00 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1wr7 h SER 2 Cb 0.00 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1wr7 h SER 2 CO 0.00 -0.10 0.47 -0.65 -1.14 0.00 0.00 176.83 175.41 1wr7 h PRO 3 N -0.71 0.68 -0.80 3.45 0.11 -2.08 -3.46 132.00 129.19 1wr7 h PRO 3 Ca -0.05 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.86 1wr7 h PRO 3 Cb 0.49 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1wr7 h PRO 3 CO 0.08 0.45 -0.18 0.41 -0.21 0.00 0.00 178.00 178.55 1wr7 n GLY 4 N -1.46 0.43 2.15 -0.55 0.00 -1.21 -4.93 105.19 99.62 1wr7 n GLY 4 Ca 0.11 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1wr7 n GLY 4 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wr7 n ILE 5 N -3.50 2.84 0.07 -0.61 2.08 -1.26 -4.50 119.36 114.47 1wr7 n ILE 5 Ca -0.09 -3.92 -0.06 0.00 0.56 0.00 0.00 62.75 59.24 1wr7 n ILE 5 Cb 0.44 -1.15 -0.10 0.00 -0.75 0.00 0.00 39.64 38.08 1wr7 n ILE 5 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1wr7 h GLN 6 N 2.17 0.00 -4.72 0.38 4.15 -1.97 -3.43 115.11 111.69 1wr7 h GLN 6 Ca 0.43 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.29 1wr7 h GLN 6 Cb 1.28 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.63 1wr7 h GLN 6 CO 1.00 0.95 -0.83 -1.12 -1.93 0.00 0.00 178.83 176.90 1wr7 s SER 7 N -6.70 2.26 0.00 -0.69 0.01 -1.26 -5.14 113.70 102.18 1wr7 s SER 7 Ca 0.01 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1wr7 s SER 7 Cb 0.10 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1wr7 s SER 7 CO 0.81 0.04 0.00 2.22 0.41 0.00 0.00 173.24 176.72 1wr7 n PHE 8 N 3.99 -0.36 -4.10 2.43 1.16 -1.26 -5.04 117.46 114.28 1wr7 n PHE 8 Ca -0.20 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.14 1wr7 n PHE 8 Cb 0.52 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.34 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1wr7 s LEU 9 N 0.00 3.82 0.34 5.98 1.02 -1.26 -4.92 118.68 123.65 1wr7 s LEU 9 Ca 0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 54.13 53.66 1wr7 s LEU 9 Cb 0.00 -2.38 -0.11 0.00 0.02 0.00 0.00 46.19 43.72 1wr7 s LEU 9 CO 0.00 0.00 1.52 -2.84 0.02 0.00 0.00 176.35 175.05 1wr7 s PRO 10 N -3.56 4.13 -0.38 1.29 0.02 -1.26 -4.83 135.00 130.41 1wr7 s PRO 10 Ca 0.32 2.55 -0.38 0.00 0.02 0.00 0.00 61.00 63.51 1wr7 s PRO 10 Cb -0.09 -3.00 -0.14 0.00 0.02 0.00 0.00 34.50 31.30 1wr7 s PRO 10 CO 0.24 -0.55 2.11 -2.30 -0.33 0.00 0.00 177.00 176.17 1wr7 n PRO 11 N 1.15 0.79 0.00 5.54 -0.02 -1.26 -0.34 135.00 140.86 1wr7 n PRO 11 Ca 0.04 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1wr7 n PRO 11 Cb 0.39 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1wr7 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr7 n GLY 12 N 6.44 1.14 3.51 -1.23 0.00 -1.26 -5.02 105.19 108.77 1wr7 n GLY 12 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 1wr7 n GLY 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr7 s TRP 13 N -0.61 2.55 -0.49 1.61 0.52 0.54 -0.58 118.94 122.47 1wr7 s TRP 13 Ca 0.00 -0.19 -0.16 0.00 0.02 0.00 0.00 56.10 55.77 1wr7 s TRP 13 Cb 0.00 -4.40 0.08 0.00 -1.15 0.00 0.00 33.47 28.00 1wr7 s TRP 13 CO 0.00 -1.75 0.47 -2.00 0.02 0.00 0.00 176.95 173.69 1wr7 s GLU 14 N 4.72 3.01 -0.25 4.98 2.12 0.01 -4.84 118.70 128.45 1wr7 s GLU 14 Ca 0.30 -1.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 1wr7 s GLU 14 Cb -0.12 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.13 1wr7 s GLU 14 CO 0.15 -1.12 1.07 0.00 -0.54 0.00 0.00 175.26 174.81 1wr7 s MET 15 N 1.88 4.20 -0.02 4.30 0.23 -1.26 -1.00 119.30 127.65 1wr7 s MET 15 Ca 0.06 1.31 0.06 0.00 -1.03 0.00 0.00 55.69 56.09 1wr7 s MET 15 Cb -0.24 -3.68 -0.01 0.00 -1.53 0.00 0.00 34.83 29.37 1wr7 s MET 15 CO 0.07 -0.71 -0.20 1.03 -2.03 0.00 0.00 175.02 173.18 1wr7 s ARG 16 N 3.35 1.67 -0.57 3.16 3.00 0.58 -4.91 118.95 125.23 1wr7 s ARG 16 Ca 0.45 -0.72 -0.23 0.00 0.00 0.00 0.00 55.73 55.23 1wr7 s ARG 16 Cb -0.15 -1.60 0.05 0.00 0.00 0.00 0.00 34.95 33.25 1wr7 s ARG 16 CO 0.09 0.43 0.87 0.42 0.00 0.00 0.00 175.30 177.11 1wr7 s ILE 17 N -0.44 4.49 0.69 1.52 -1.09 -1.26 -0.32 121.20 124.79 1wr7 s ILE 17 Ca 0.07 -0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.28 1wr7 s ILE 17 Cb -0.08 -4.52 0.02 0.00 -1.58 0.00 0.00 42.46 36.30 1wr7 s ILE 17 CO -0.01 -1.12 1.11 0.00 -1.23 0.00 0.00 174.94 173.70 1wr7 s ALA 18 N 3.64 2.39 -1.70 9.38 0.00 -0.75 -4.88 121.76 129.84 1wr7 s ALA 18 Ca 0.25 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1wr7 s ALA 18 Cb -0.15 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.77 1wr7 s ALA 18 CO 0.15 -1.44 0.76 -2.30 0.00 0.00 0.00 175.76 172.93 1wr7 n PRO 19 N -2.70 0.05 0.17 0.00 -0.02 -1.26 0.11 135.00 131.35 1wr7 n PRO 19 Ca 0.10 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1wr7 n PRO 19 Cb 0.52 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.85 1wr7 n PRO 19 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1wr7 h ASN 20 N 0.00 0.00 0.00 2.55 4.21 -2.01 -3.47 115.58 116.86 1wr7 h ASN 20 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wr7 h ASN 20 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1wr7 h ASN 20 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 1wr7 n GLY 21 N 1.01 0.59 3.50 2.83 0.00 0.12 -5.07 105.19 108.17 1wr7 n GLY 21 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1wr7 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr7 s ARG 22 N -0.98 3.69 0.02 1.61 1.81 -1.23 -4.90 118.95 118.97 1wr7 s ARG 22 Ca 0.00 -0.51 -0.30 0.00 -1.72 0.00 0.00 55.73 53.20 1wr7 s ARG 22 Cb 0.00 -2.96 -0.08 0.00 -0.45 0.00 0.00 34.95 31.47 1wr7 s ARG 22 CO 0.00 0.22 1.76 -2.14 -0.68 0.00 0.00 175.30 174.46 1wr7 s PRO 23 N 0.43 4.17 -0.01 3.54 0.02 -1.26 -1.81 135.00 140.08 1wr7 s PRO 23 Ca -0.03 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.46 1wr7 s PRO 23 Cb -0.14 -3.91 -0.02 0.00 0.02 0.00 0.00 34.50 30.45 1wr7 s PRO 23 CO 0.03 -0.85 -0.25 -0.59 -0.33 0.00 0.00 177.00 175.00 1wr7 s PHE 24 N 3.70 2.36 -0.33 6.54 -0.12 0.57 -4.71 117.98 125.98 1wr7 s PHE 24 Ca 0.79 -0.41 -0.09 0.00 -0.05 0.00 0.00 56.93 57.17 1wr7 s PHE 24 Cb -0.39 -1.48 0.02 0.00 -0.63 0.00 0.00 43.02 40.53 1wr7 s PHE 24 CO 0.34 0.02 0.14 -0.06 -0.05 0.00 0.00 175.22 175.62 1wr7 s PHE 25 N -0.67 3.21 -0.38 3.49 0.08 0.18 -0.31 117.98 123.58 1wr7 s PHE 25 Ca 0.11 -0.95 -0.15 0.00 0.12 0.00 0.00 56.93 56.05 1wr7 s PHE 25 Cb -0.10 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.01 1wr7 s PHE 25 CO -0.00 -0.60 0.34 -1.50 -0.10 0.00 0.00 175.22 173.37 1wr7 s ILE 26 N 1.53 5.19 -0.38 0.64 -1.16 -0.17 -1.31 121.20 125.55 1wr7 s ILE 26 Ca 0.02 -0.26 -0.29 0.00 -0.51 0.00 0.00 60.65 59.61 1wr7 s ILE 26 Cb -0.18 -3.88 0.02 0.00 0.61 0.00 0.00 42.46 39.03 1wr7 s ILE 26 CO 0.05 -0.21 1.10 -0.62 -2.81 0.00 0.00 174.94 172.45 1wr7 s ASP 27 N 1.74 6.81 -0.01 4.50 2.15 -0.04 -0.81 116.67 131.01 1wr7 s ASP 27 Ca 0.09 0.82 0.02 0.00 0.43 0.00 0.00 52.55 53.92 1wr7 s ASP 27 Cb -0.17 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 39.97 1wr7 s ASP 27 CO 0.12 -1.03 0.91 1.41 -0.17 0.00 0.00 175.17 176.41 1wr7 n HIS 28 N 7.26 0.13 -0.10 -5.34 8.25 0.25 -0.45 115.22 125.22 1wr7 n HIS 28 Ca 0.12 -0.06 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1wr7 n HIS 28 Cb 0.48 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1wr7 n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wr7 n ASN 29 N -0.17 1.91 0.03 0.41 3.02 -1.26 -4.59 115.26 114.60 1wr7 n ASN 29 Ca 0.03 0.40 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 1wr7 n ASN 29 Cb 0.15 -0.79 0.04 0.00 -0.61 0.00 0.00 39.78 38.57 1wr7 n ASN 29 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wr7 n THR 30 N -4.45 0.18 -2.75 3.41 -2.24 -1.24 -4.97 114.28 102.22 1wr7 n THR 30 Ca -0.21 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1wr7 n THR 30 Cb 0.54 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1wr7 n THR 30 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wr7 n LYS 31 N -1.95 -2.58 -4.13 -0.78 5.02 0.40 -5.05 118.16 109.09 1wr7 n LYS 31 Ca 0.02 0.35 -0.27 0.00 -2.02 0.00 0.00 58.31 56.40 1wr7 n LYS 31 Cb 0.43 -3.99 -0.06 0.00 -0.02 0.00 0.00 35.03 31.38 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wr7 s THR 32 N -2.95 4.18 -0.21 -0.18 2.01 -1.13 -4.92 115.64 112.43 1wr7 s THR 32 Ca 0.18 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1wr7 s THR 32 Cb -0.08 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.36 1wr7 s THR 32 CO 0.22 -0.08 -0.15 0.42 -0.69 0.00 0.00 174.62 174.33 1wr7 s THR 33 N -1.70 2.20 0.00 -0.82 -4.23 -1.26 -0.86 115.64 108.97 1wr7 s THR 33 Ca 0.29 -1.18 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1wr7 s THR 33 Cb -0.10 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 1wr7 s THR 33 CO 0.21 0.31 -0.22 0.28 -0.54 0.00 0.00 174.62 174.67 1wr7 s THR 34 N 1.23 1.71 -0.96 3.99 -1.32 -0.42 -4.97 115.64 114.90 1wr7 s THR 34 Ca -0.00 -1.01 0.24 0.00 -1.21 0.00 0.00 61.69 59.71 1wr7 s THR 34 Cb -0.16 -1.44 -0.05 0.00 -1.51 0.00 0.00 72.50 69.34 1wr7 s THR 34 CO -0.09 0.41 1.28 0.79 -2.21 0.00 0.00 174.62 174.79 1wr7 n TRP 35 N 2.34 0.04 -2.83 9.09 7.02 -1.26 0.48 117.44 132.32 1wr7 n TRP 35 Ca -0.16 0.01 -0.43 0.00 -1.02 0.00 0.00 57.50 55.91 1wr7 n TRP 35 Cb 0.53 -0.23 -0.04 0.00 -2.42 0.00 0.00 31.31 29.15 1wr7 n TRP 35 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1wr7 s GLU 36 N -3.02 3.68 -0.19 -0.99 0.41 -1.26 -4.83 118.70 112.50 1wr7 s GLU 36 Ca 0.10 0.34 -0.29 0.00 -0.41 0.00 0.00 54.97 54.71 1wr7 s GLU 36 Cb 0.17 -3.87 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 1wr7 s GLU 36 CO 0.74 -1.07 2.04 0.34 -0.49 0.00 0.00 175.26 176.81 1wr7 s ASP 37 N 2.07 5.82 0.00 -0.19 -1.08 -1.26 -4.85 116.67 117.18 1wr7 s ASP 37 Ca 0.37 1.92 0.14 0.00 -0.52 0.00 0.00 52.55 54.47 1wr7 s ASP 37 Cb -0.11 -2.52 0.62 0.00 -1.46 0.00 0.00 42.92 39.45 1wr7 s ASP 37 CO 0.22 -1.67 1.45 -0.81 0.52 0.00 0.00 175.17 174.89 1wr7 n PRO 38 N 8.34 0.02 0.15 4.34 -0.04 -1.26 -1.59 135.00 144.96 1wr7 n PRO 38 Ca 0.26 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 1wr7 n PRO 38 Cb 0.44 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.85 1wr7 n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wr7 h ARG 39 N 0.00 0.00 0.00 0.54 3.08 -1.91 -1.19 114.38 114.90 1wr7 h ARG 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wr7 h ARG 39 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1wr7 h ARG 39 CO 0.00 0.00 -0.43 1.28 -1.07 0.00 0.00 179.97 179.75 1wr7 n LEU 40 N -2.49 0.44 0.00 3.04 4.77 -0.62 -5.13 117.00 117.01 1wr7 n LEU 40 Ca 0.03 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1wr7 n LEU 40 Cb 0.35 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1wr7 n LEU 40 CO 0.27 0.07 0.00 0.29 -1.33 0.00 0.00 177.39 176.69