#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 n SER 2 N 0.00 -7.65 -0.93 1.61 7.64 -1.26 -5.06 113.62 107.97 1wr7 n SER 2 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wr7 n SER 2 Cb 0.00 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.00 1wr7 n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wr7 n PRO 3 N -1.69 3.50 0.00 1.43 -0.05 -1.26 -4.88 135.00 132.05 1wr7 n PRO 3 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1wr7 n PRO 3 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.95 1wr7 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1wr7 n GLY 4 N 5.00 2.27 0.01 0.55 0.00 -1.26 -4.63 105.19 107.13 1wr7 n GLY 4 Ca 0.00 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.08 0.32 -0.61 5.41 -1.26 -3.71 119.36 119.59 1wr7 n ILE 5 Ca 0.00 -0.10 0.11 0.00 1.00 0.00 0.00 62.75 63.76 1wr7 n ILE 5 Cb 0.00 0.38 0.01 0.00 -0.71 0.00 0.00 39.64 39.32 1wr7 n ILE 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wr7 n GLN 6 N -1.70 0.45 -3.84 0.38 3.00 -1.26 -4.80 117.38 109.62 1wr7 n GLN 6 Ca 0.04 0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.71 1wr7 n GLN 6 Cb 0.38 -1.69 -0.10 0.00 0.00 0.00 0.00 30.24 28.82 1wr7 n GLN 6 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1wr7 s SER 7 N -4.60 5.66 0.00 1.08 1.04 -1.24 -5.09 113.70 110.55 1wr7 s SER 7 Ca 0.01 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1wr7 s SER 7 Cb 0.12 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1wr7 s SER 7 CO 0.80 0.08 0.00 0.49 0.98 0.00 0.00 173.24 175.59 1wr7 n PHE 8 N 4.15 0.00 -2.97 5.02 3.72 -1.26 -4.73 117.46 121.38 1wr7 n PHE 8 Ca -0.16 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.05 1wr7 n PHE 8 Cb 0.52 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.11 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wr7 s LEU 9 N 0.00 3.29 0.70 4.37 1.02 -1.26 -5.09 118.68 121.71 1wr7 s LEU 9 Ca 0.00 -0.63 -0.16 0.00 0.02 0.00 0.00 54.13 53.36 1wr7 s LEU 9 Cb 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 46.19 44.18 1wr7 s LEU 9 CO 0.00 -1.18 1.23 -2.84 0.02 0.00 0.00 176.35 173.58 1wr7 s PRO 10 N -4.60 2.26 0.00 1.29 0.02 -1.26 -4.87 135.00 127.83 1wr7 s PRO 10 Ca 0.60 1.86 0.08 0.00 0.02 0.00 0.00 61.00 63.55 1wr7 s PRO 10 Cb -0.07 -1.84 0.43 0.00 0.02 0.00 0.00 34.50 33.04 1wr7 s PRO 10 CO 0.37 -1.76 0.98 -0.35 -0.33 0.00 0.00 177.00 175.91 1wr7 n PRO 11 N -2.46 0.19 0.01 5.54 -0.04 -1.26 -0.49 135.00 136.50 1wr7 n PRO 11 Ca 0.14 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1wr7 n PRO 11 Cb 0.50 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.59 1wr7 n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wr7 n GLY 12 N -0.57 -1.22 3.49 0.55 0.00 -1.26 -4.80 105.19 101.38 1wr7 n GLY 12 Ca 0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.06 3.23 -0.48 1.61 0.52 0.36 -0.92 118.94 120.19 1wr7 s TRP 13 Ca 0.08 -0.41 -0.15 0.00 0.02 0.00 0.00 56.10 55.65 1wr7 s TRP 13 Cb 0.16 -2.60 0.08 0.00 -1.15 0.00 0.00 33.47 29.96 1wr7 s TRP 13 CO 0.75 -0.52 0.40 -2.00 0.02 0.00 0.00 176.95 175.60 1wr7 s GLU 14 N 1.78 2.95 0.07 4.98 2.12 0.16 -4.81 118.70 125.95 1wr7 s GLU 14 Ca 0.07 -1.43 -0.31 0.00 0.36 0.00 0.00 54.97 53.66 1wr7 s GLU 14 Cb -0.18 -4.13 -0.07 0.00 0.26 0.00 0.00 34.13 30.00 1wr7 s GLU 14 CO 0.11 -1.08 1.43 1.41 -0.54 0.00 0.00 175.26 176.59 1wr7 s MET 15 N 1.61 4.29 -0.12 4.30 -2.45 -1.26 -1.25 119.30 124.43 1wr7 s MET 15 Ca 0.04 2.07 0.01 0.00 -1.25 0.00 0.00 55.69 56.56 1wr7 s MET 15 Cb -0.25 -3.41 0.02 0.00 1.25 0.00 0.00 34.83 32.43 1wr7 s MET 15 CO 0.06 -0.53 -0.14 1.03 1.05 0.00 0.00 175.02 176.49 1wr7 s ARG 16 N 1.79 2.15 -0.55 4.11 0.52 0.12 -4.96 118.95 122.12 1wr7 s ARG 16 Ca 0.66 -0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 55.15 1wr7 s ARG 16 Cb -0.35 -1.90 0.08 0.00 0.52 0.00 0.00 34.95 33.30 1wr7 s ARG 16 CO 0.29 -0.12 0.70 0.42 0.02 0.00 0.00 175.30 176.61 1wr7 s ILE 17 N 1.17 4.78 0.64 1.52 -1.09 -1.26 -0.15 121.20 126.81 1wr7 s ILE 17 Ca -0.03 -0.62 -0.17 0.00 -2.23 0.00 0.00 60.65 57.60 1wr7 s ILE 17 Cb -0.14 -4.42 -0.01 0.00 -1.58 0.00 0.00 42.46 36.31 1wr7 s ILE 17 CO -0.04 -1.00 1.19 0.00 -1.23 0.00 0.00 174.94 173.85 1wr7 s ALA 18 N 2.85 2.41 -1.60 9.38 0.00 -0.86 -4.86 121.76 129.08 1wr7 s ALA 18 Ca 0.15 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1wr7 s ALA 18 Cb -0.20 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1wr7 s ALA 18 CO 0.10 -1.38 0.71 -2.30 0.00 0.00 0.00 175.76 172.89 1wr7 n PRO 19 N -2.07 0.01 0.20 0.00 -0.02 -1.26 -0.56 135.00 131.29 1wr7 n PRO 19 Ca 0.13 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1wr7 n PRO 19 Cb 0.50 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.85 1wr7 n PRO 19 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1wr7 h ASN 20 N 0.00 0.00 0.00 2.55 -0.73 -2.02 -3.46 115.58 111.92 1wr7 h ASN 20 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1wr7 h ASN 20 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1wr7 h ASN 20 CO 0.00 0.33 0.00 0.61 -0.37 0.00 0.00 177.43 178.00 1wr7 n GLY 21 N 0.23 0.85 3.42 1.57 0.00 0.27 -5.08 105.19 106.46 1wr7 n GLY 21 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.89 3.61 -0.25 1.61 1.81 -1.24 -4.96 118.95 118.64 1wr7 s ARG 22 Ca 0.00 -0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 1wr7 s ARG 22 Cb 0.00 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 31.22 1wr7 s ARG 22 CO 0.00 -0.17 1.72 -2.14 -0.68 0.00 0.00 175.30 174.02 1wr7 s PRO 23 N 1.54 3.63 -0.09 3.54 0.02 -1.26 -2.03 135.00 140.35 1wr7 s PRO 23 Ca 0.06 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1wr7 s PRO 23 Cb -0.15 -4.11 -0.03 0.00 0.02 0.00 0.00 34.50 30.24 1wr7 s PRO 23 CO 0.02 -1.50 -0.09 -0.59 -0.33 0.00 0.00 177.00 174.51 1wr7 s PHE 24 N 5.86 2.89 -0.32 6.54 -0.12 0.79 -4.68 117.98 128.94 1wr7 s PHE 24 Ca 0.76 -0.20 -0.12 0.00 -0.05 0.00 0.00 56.93 57.33 1wr7 s PHE 24 Cb -0.25 -1.77 -0.02 0.00 -0.63 0.00 0.00 43.02 40.34 1wr7 s PHE 24 CO 0.32 0.13 0.21 -0.06 -0.05 0.00 0.00 175.22 175.76 1wr7 s PHE 25 N -0.33 3.21 -0.35 3.49 0.08 0.18 0.14 117.98 124.40 1wr7 s PHE 25 Ca 0.04 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1wr7 s PHE 25 Cb -0.13 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1wr7 s PHE 25 CO 0.02 -0.35 0.21 -1.50 -0.10 0.00 0.00 175.22 173.51 1wr7 s ILE 26 N 1.70 4.89 -0.09 0.64 -1.16 -0.38 -1.60 121.20 125.20 1wr7 s ILE 26 Ca 0.06 -0.49 -0.29 0.00 -0.51 0.00 0.00 60.65 59.42 1wr7 s ILE 26 Cb -0.17 -3.58 -0.02 0.00 0.61 0.00 0.00 42.46 39.30 1wr7 s ILE 26 CO 0.09 -0.07 0.97 -0.62 -2.81 0.00 0.00 174.94 172.51 1wr7 s ASP 27 N 1.64 7.24 0.00 4.50 2.15 0.43 -0.67 116.67 131.97 1wr7 s ASP 27 Ca 0.05 1.51 0.26 0.00 0.43 0.00 0.00 52.55 54.79 1wr7 s ASP 27 Cb -0.18 -2.54 0.61 0.00 -0.30 0.00 0.00 42.92 40.51 1wr7 s ASP 27 CO 0.08 -0.39 1.48 1.41 -0.17 0.00 0.00 175.17 177.58 1wr7 n HIS 28 N 4.76 0.00 -0.07 -5.34 8.25 -0.10 -0.95 115.22 121.77 1wr7 n HIS 28 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 1wr7 n HIS 28 Cb 0.49 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 1wr7 n HIS 28 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1wr7 h ASN 29 N 0.53 0.00 0.35 0.41 2.35 -1.92 -3.38 115.58 113.93 1wr7 h ASN 29 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1wr7 h ASN 29 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1wr7 h ASN 29 CO 0.00 0.87 -0.90 0.35 -1.65 0.00 0.00 177.43 176.10 1wr7 n THR 30 N -4.64 0.09 -3.04 2.81 -2.24 -1.26 -5.00 114.28 100.99 1wr7 n THR 30 Ca -0.09 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1wr7 n THR 30 Cb 0.32 0.39 0.06 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.75 -2.58 -4.26 -0.78 5.02 -0.12 -5.05 118.16 108.64 1wr7 n LYS 31 Ca 0.03 0.74 -0.20 0.00 -2.02 0.00 0.00 58.31 56.86 1wr7 n LYS 31 Cb 0.39 -5.26 -0.12 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.33 1.48 -0.22 -0.18 2.01 -1.02 -4.94 115.64 109.43 1wr7 s THR 32 Ca 0.33 -1.64 0.01 0.00 0.31 0.00 0.00 61.69 60.70 1wr7 s THR 32 Cb -0.04 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 71.00 1wr7 s THR 32 CO 0.63 -0.27 -0.10 0.42 -0.69 0.00 0.00 174.62 174.61 1wr7 s THR 33 N -1.72 1.82 0.07 -0.82 -4.23 -1.26 -0.42 115.64 109.08 1wr7 s THR 33 Ca 0.08 -1.23 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1wr7 s THR 33 Cb -0.07 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1wr7 s THR 33 CO 0.04 0.09 -0.22 0.28 -0.54 0.00 0.00 174.62 174.27 1wr7 s THR 34 N 1.30 1.78 -1.07 3.99 -1.32 -0.63 -4.96 115.64 114.72 1wr7 s THR 34 Ca -0.04 -1.39 0.25 0.00 -1.21 0.00 0.00 61.69 59.30 1wr7 s THR 34 Cb -0.18 -1.57 -0.00 0.00 -1.51 0.00 0.00 72.50 69.24 1wr7 s THR 34 CO -0.07 0.11 1.37 0.79 -2.21 0.00 0.00 174.62 174.61 1wr7 n TRP 35 N 1.48 0.00 -4.14 9.09 7.02 -1.26 0.49 117.44 130.12 1wr7 n TRP 35 Ca -0.18 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.95 1wr7 n TRP 35 Cb 0.53 -0.21 -0.12 0.00 -2.42 0.00 0.00 31.31 29.09 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 -2.95 3.63 -0.08 -0.99 2.02 -1.26 -4.76 118.70 114.30 1wr7 s GLU 36 Ca 0.12 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 1wr7 s GLU 36 Cb 0.17 -3.04 -0.07 0.00 0.10 0.00 0.00 34.13 31.29 1wr7 s GLU 36 CO 0.70 0.06 2.02 0.34 0.02 0.00 0.00 175.26 178.40 1wr7 s ASP 37 N 0.86 6.09 0.37 -0.19 2.15 -1.26 -4.85 116.67 119.84 1wr7 s ASP 37 Ca 0.00 2.29 0.27 0.00 0.43 0.00 0.00 52.55 55.55 1wr7 s ASP 37 Cb -0.14 -2.52 1.25 0.00 -0.30 0.00 0.00 42.92 41.20 1wr7 s ASP 37 CO 0.02 -1.40 1.82 1.55 -0.17 0.00 0.00 175.17 176.99 1wr7 h PRO 38 N 12.20 0.00 0.00 4.34 0.13 -1.96 -2.38 132.00 144.32 1wr7 h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wr7 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wr7 h PRO 38 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 1wr7 h ARG 39 N 0.00 0.00 0.00 0.86 3.08 -1.98 -1.61 114.38 114.73 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1wr7 h ARG 39 CO 0.00 0.00 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.59 1wr7 h LEU 40 N 0.00 0.00 -0.03 3.04 3.38 -1.82 -3.55 115.31 116.34 1wr7 h LEU 40 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wr7 h LEU 40 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wr7 h LEU 40 CO 0.00 0.02 0.00 2.29 0.09 0.00 0.00 178.44 180.84