#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 -0.07 0.00 1.61 0.02 -1.76 -3.47 113.55 109.89 1wr7 h SER 2 Ca 0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1wr7 h SER 2 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1wr7 h SER 2 CO 0.00 0.64 0.00 -0.81 -1.14 0.00 0.00 176.83 175.52 1wr7 n PRO 3 N -4.77 0.77 -4.13 3.45 -0.05 -1.25 -5.10 135.00 123.92 1wr7 n PRO 3 Ca -0.07 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.11 1wr7 n PRO 3 Cb 0.30 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.69 1wr7 n PRO 3 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1wr7 s GLY 4 N 0.00 1.75 -1.05 0.55 0.00 -1.26 -4.66 107.32 102.65 1wr7 s GLY 4 Ca 0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 44.72 43.31 1wr7 s GLY 4 CO 0.00 -1.26 0.77 1.39 0.00 0.00 0.00 173.10 174.00 1wr7 n ILE 5 N -0.17 -6.26 0.00 0.90 5.41 -1.26 -4.30 119.36 113.68 1wr7 n ILE 5 Ca -0.09 -0.81 0.00 0.00 1.00 0.00 0.00 62.75 62.85 1wr7 n ILE 5 Cb 0.54 -4.61 0.00 0.00 -0.71 0.00 0.00 39.64 34.87 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 -3.70 0.00 0.00 0.38 1.13 -1.26 -4.93 117.38 109.00 1wr7 n GLN 6 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1wr7 n GLN 6 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 1wr7 n GLN 6 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1wr7 n SER 7 N 7.72 -5.55 0.03 1.08 7.64 -1.26 -3.68 113.62 119.59 1wr7 n SER 7 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wr7 n SER 7 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wr7 n SER 7 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wr7 n PHE 8 N -1.74 -0.48 -3.00 1.43 3.72 -1.26 -4.36 117.46 111.76 1wr7 n PHE 8 Ca 0.00 0.09 -0.20 0.00 -0.05 0.00 0.00 57.45 57.28 1wr7 n PHE 8 Cb 0.00 0.30 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 -5.64 3.62 0.37 4.37 1.43 -1.26 -4.41 118.68 117.16 1wr7 s LEU 9 Ca 0.00 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.78 1wr7 s LEU 9 Cb 0.00 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1wr7 s LEU 9 CO 0.00 -0.78 1.19 -2.84 0.23 0.00 0.00 176.35 174.16 1wr7 s PRO 10 N -4.48 4.19 -0.64 1.29 0.02 -1.26 -4.81 135.00 129.30 1wr7 s PRO 10 Ca 0.52 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 1wr7 s PRO 10 Cb -0.10 -2.83 -0.13 0.00 0.02 0.00 0.00 34.50 31.47 1wr7 s PRO 10 CO 0.35 -0.23 2.48 -0.35 -0.33 0.00 0.00 177.00 178.93 1wr7 n PRO 11 N 0.37 0.71 0.00 5.54 -0.04 -1.26 -1.31 135.00 139.00 1wr7 n PRO 11 Ca 0.03 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1wr7 n PRO 11 Cb 0.45 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 6.24 1.06 3.62 0.55 0.00 -1.26 -5.01 105.19 110.39 1wr7 n GLY 12 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 3.18 -0.40 1.61 0.52 -0.43 -0.61 118.94 122.80 1wr7 s TRP 13 Ca 0.00 0.95 -0.05 0.00 0.02 0.00 0.00 56.10 57.02 1wr7 s TRP 13 Cb 0.00 -3.42 0.09 0.00 -1.15 0.00 0.00 33.47 28.99 1wr7 s TRP 13 CO 0.00 -0.66 0.20 -2.00 0.02 0.00 0.00 176.95 174.52 1wr7 s GLU 14 N 3.24 2.27 -0.59 4.98 2.12 -0.09 -4.89 118.70 125.75 1wr7 s GLU 14 Ca 0.38 -1.64 -0.26 0.00 0.36 0.00 0.00 54.97 53.81 1wr7 s GLU 14 Cb -0.13 -3.61 0.04 0.00 0.26 0.00 0.00 34.13 30.68 1wr7 s GLU 14 CO 0.14 -0.99 1.08 0.00 -0.54 0.00 0.00 175.26 174.95 1wr7 s MET 15 N 1.25 3.39 -0.05 4.30 0.23 -1.26 -0.56 119.30 126.60 1wr7 s MET 15 Ca 0.05 -0.07 -0.03 0.00 -1.03 0.00 0.00 55.69 54.61 1wr7 s MET 15 Cb -0.23 -4.06 -0.04 0.00 -1.53 0.00 0.00 34.83 28.98 1wr7 s MET 15 CO -0.02 -1.64 0.11 1.03 -2.03 0.00 0.00 175.02 172.46 1wr7 s ARG 16 N 4.54 3.23 -0.43 3.16 3.00 0.66 -4.85 118.95 128.26 1wr7 s ARG 16 Ca 0.36 -0.35 -0.22 0.00 0.00 0.00 0.00 55.73 55.52 1wr7 s ARG 16 Cb -0.10 -2.98 0.02 0.00 0.00 0.00 0.00 34.95 31.89 1wr7 s ARG 16 CO 0.21 0.70 0.75 0.42 0.00 0.00 0.00 175.30 177.37 1wr7 s ILE 17 N -1.13 4.71 0.41 1.52 -1.09 -1.26 0.25 121.20 124.60 1wr7 s ILE 17 Ca 0.20 0.41 -0.25 0.00 -2.23 0.00 0.00 60.65 58.78 1wr7 s ILE 17 Cb -0.12 -4.27 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 1wr7 s ILE 17 CO 0.11 -0.64 1.24 0.00 -1.23 0.00 0.00 174.94 174.41 1wr7 s ALA 18 N 3.14 3.19 0.65 9.38 0.00 -0.71 -4.89 121.76 132.51 1wr7 s ALA 18 Ca 0.28 1.10 0.32 0.00 0.00 0.00 0.00 51.96 53.66 1wr7 s ALA 18 Cb -0.13 -3.44 1.75 0.00 0.00 0.00 0.00 23.12 21.31 1wr7 s ALA 18 CO 0.21 -0.69 2.02 -1.00 0.00 0.00 0.00 175.76 176.29 1wr7 h PRO 19 N 2.61 0.00 0.00 0.00 0.13 -1.96 0.25 132.00 133.04 1wr7 h PRO 19 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wr7 h PRO 19 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wr7 h PRO 19 CO 0.62 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 1wr7 n ASN 20 N -3.11 0.59 0.00 1.44 6.94 -1.26 -4.84 115.26 115.01 1wr7 n ASN 20 Ca -0.01 0.63 0.00 0.00 -0.02 0.00 0.00 54.58 55.18 1wr7 n ASN 20 Cb 0.35 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 1wr7 n ASN 20 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wr7 n GLY 21 N 0.23 1.04 3.28 4.83 0.00 0.89 -5.07 105.19 110.38 1wr7 n GLY 21 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.82 2.61 -0.02 1.61 1.81 -1.18 -4.93 118.95 118.02 1wr7 s ARG 22 Ca 0.00 -1.24 -0.34 0.00 -1.72 0.00 0.00 55.73 52.43 1wr7 s ARG 22 Cb 0.00 -3.54 -0.12 0.00 -0.45 0.00 0.00 34.95 30.84 1wr7 s ARG 22 CO 0.00 -0.73 1.84 -2.30 -0.68 0.00 0.00 175.30 173.43 1wr7 n PRO 23 N 4.84 2.27 -4.71 3.54 -0.02 -1.26 -1.74 135.00 137.92 1wr7 n PRO 23 Ca -0.12 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 1wr7 n PRO 23 Cb 0.44 -2.68 -0.13 0.00 -0.02 0.00 0.00 33.50 31.11 1wr7 n PRO 23 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1wr7 s PHE 24 N 3.52 2.85 -0.45 6.00 -0.12 0.14 -4.67 117.98 125.24 1wr7 s PHE 24 Ca 0.90 -0.38 -0.15 0.00 -0.05 0.00 0.00 56.93 57.24 1wr7 s PHE 24 Cb -0.66 -1.80 0.06 0.00 -0.63 0.00 0.00 43.02 39.99 1wr7 s PHE 24 CO 0.48 -0.02 0.37 -0.06 -0.05 0.00 0.00 175.22 175.95 1wr7 s PHE 25 N -0.04 3.24 -0.43 3.49 0.40 0.29 -0.25 117.98 124.68 1wr7 s PHE 25 Ca -0.02 -0.81 -0.20 0.00 -0.60 0.00 0.00 56.93 55.30 1wr7 s PHE 25 Cb -0.14 -3.01 0.02 0.00 0.51 0.00 0.00 43.02 40.41 1wr7 s PHE 25 CO 0.04 -0.74 0.58 -1.50 0.70 0.00 0.00 175.22 174.30 1wr7 s ILE 26 N 1.68 4.90 -0.12 0.64 -1.16 0.27 -2.01 121.20 125.41 1wr7 s ILE 26 Ca 0.05 -0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 59.87 1wr7 s ILE 26 Cb -0.23 -4.16 -0.02 0.00 0.61 0.00 0.00 42.46 38.67 1wr7 s ILE 26 CO 0.08 -0.55 1.13 -0.62 -2.81 0.00 0.00 174.94 172.17 1wr7 s ASP 27 N 1.94 7.10 0.00 4.50 2.15 0.67 -0.91 116.67 132.12 1wr7 s ASP 27 Ca 0.20 1.64 0.27 0.00 0.43 0.00 0.00 52.55 55.08 1wr7 s ASP 27 Cb -0.15 -2.55 0.96 0.00 -0.30 0.00 0.00 42.92 40.88 1wr7 s ASP 27 CO 0.17 -0.59 1.69 1.41 -0.17 0.00 0.00 175.17 177.69 1wr7 n HIS 28 N 5.55 0.04 -0.07 -5.34 8.25 0.22 -1.13 115.22 122.74 1wr7 n HIS 28 Ca 0.11 -0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 1wr7 n HIS 28 Cb 0.47 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 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 2.46 0.00 -0.02 0.41 2.35 -1.91 -3.39 115.58 115.48 1wr7 h ASN 29 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1wr7 h ASN 29 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wr7 h ASN 29 CO 0.00 0.93 -0.16 0.35 -1.65 0.00 0.00 177.43 176.90 1wr7 n THR 30 N -4.62 0.00 -2.94 2.81 -2.24 -1.26 -5.01 114.28 101.02 1wr7 n THR 30 Ca -0.12 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.17 1wr7 n THR 30 Cb 0.35 1.26 0.03 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.39 -1.57 -4.75 -0.78 5.02 -0.28 -5.05 118.16 111.13 1wr7 n LYS 31 Ca 0.08 1.04 -0.32 0.00 -2.02 0.00 0.00 58.31 57.08 1wr7 n LYS 31 Cb 0.36 -5.23 -0.12 0.00 -0.02 0.00 0.00 35.03 30.02 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1wr7 s THR 32 N -3.18 3.13 -0.47 -0.18 -4.23 -0.90 -4.92 115.64 104.87 1wr7 s THR 32 Ca 0.21 -0.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1wr7 s THR 32 Cb -0.03 -2.27 0.13 0.00 1.34 0.00 0.00 72.50 71.67 1wr7 s THR 32 CO 0.64 0.50 0.25 0.42 -0.54 0.00 0.00 174.62 175.89 1wr7 s THR 33 N -0.83 3.09 0.02 3.99 -4.23 -1.26 -0.24 115.64 116.18 1wr7 s THR 33 Ca 0.13 -2.58 0.08 0.00 -1.18 0.00 0.00 61.69 58.14 1wr7 s THR 33 Cb -0.11 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1wr7 s THR 33 CO 0.03 -0.74 -0.24 0.28 -0.54 0.00 0.00 174.62 173.41 1wr7 s THR 34 N 0.51 1.90 -0.15 3.99 -1.32 -0.85 -4.95 115.64 114.77 1wr7 s THR 34 Ca 0.13 -1.19 0.19 0.00 -1.21 0.00 0.00 61.69 59.61 1wr7 s THR 34 Cb -0.22 -1.61 -0.14 0.00 -1.51 0.00 0.00 72.50 69.02 1wr7 s THR 34 CO -0.04 0.38 0.77 0.79 -2.21 0.00 0.00 174.62 174.31 1wr7 n TRP 35 N 2.07 0.75 -2.39 9.09 7.02 -1.26 0.11 117.44 132.83 1wr7 n TRP 35 Ca -0.16 0.24 -0.41 0.00 -1.02 0.00 0.00 57.50 56.15 1wr7 n TRP 35 Cb 0.52 -0.96 -0.03 0.00 -2.42 0.00 0.00 31.31 28.43 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 -3.11 3.17 0.12 -0.99 8.01 -1.26 -4.71 118.70 119.93 1wr7 s GLU 36 Ca -0.04 0.27 -0.35 0.00 0.01 0.00 0.00 54.97 54.86 1wr7 s GLU 36 Cb 0.09 -4.18 -0.15 0.00 -4.31 0.00 0.00 34.13 25.58 1wr7 s GLU 36 CO 0.82 -2.12 1.45 -3.47 0.01 0.00 0.00 175.26 171.95 1wr7 n ASP 37 N 9.99 2.32 -0.55 -0.19 -0.08 -1.26 -4.86 116.55 121.92 1wr7 n ASP 37 Ca 0.11 1.10 0.02 0.00 -1.51 0.00 0.00 54.79 54.51 1wr7 n ASP 37 Cb 0.50 -1.30 0.08 0.00 2.34 0.00 0.00 41.12 42.74 1wr7 n ASP 37 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1wr7 n PRO 38 N 2.92 1.62 -0.12 -0.67 -0.04 -1.26 -0.65 135.00 136.80 1wr7 n PRO 38 Ca 0.18 -0.65 -0.21 0.00 -0.04 0.00 0.00 63.50 62.78 1wr7 n PRO 38 Cb 0.24 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1wr7 n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wr7 n ARG 39 N 0.06 0.56 0.12 0.54 5.12 -1.26 -4.58 116.66 117.22 1wr7 n ARG 39 Ca 0.06 0.18 -0.23 0.00 -1.93 0.00 0.00 57.85 55.92 1wr7 n ARG 39 Cb 0.29 -1.44 -0.15 0.00 -1.16 0.00 0.00 32.46 30.00 1wr7 n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1wr7 h LEU 40 N -0.39 0.73 0.00 0.55 3.38 -1.96 -3.55 115.31 114.08 1wr7 h LEU 40 Ca -0.57 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 56.52 1wr7 h LEU 40 Cb 1.70 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1wr7 h LEU 40 CO -0.21 1.70 0.00 0.29 0.09 0.00 0.00 178.44 180.31