#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 s SER 2 N 0.00 3.21 -1.18 1.61 0.01 -1.26 -5.05 113.70 111.04 1wr7 s SER 2 Ca 0.00 -0.85 -0.21 0.00 1.31 0.00 0.00 55.95 56.20 1wr7 s SER 2 Cb 0.00 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1wr7 s SER 2 CO 0.00 0.09 1.89 -2.65 0.41 0.00 0.00 173.24 172.98 1wr7 n PRO 3 N 0.38 2.03 0.00 12.44 -0.02 -1.26 -4.79 135.00 143.78 1wr7 n PRO 3 Ca -0.14 -2.61 0.00 0.00 -2.02 0.00 0.00 63.50 58.73 1wr7 n PRO 3 Cb 0.56 -3.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.46 1wr7 n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr7 n GLY 4 N 5.50 3.49 3.50 -1.23 0.00 -1.26 -5.07 105.19 110.13 1wr7 n GLY 4 Ca 0.47 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1wr7 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr7 s ILE 5 N -1.99 4.61 -0.03 -0.61 -1.09 -1.26 -4.35 121.20 116.48 1wr7 s ILE 5 Ca 0.00 -2.04 0.06 0.00 -2.23 0.00 0.00 60.65 56.44 1wr7 s ILE 5 Cb 0.00 -4.98 0.12 0.00 -1.58 0.00 0.00 42.46 36.02 1wr7 s ILE 5 CO 0.00 -1.74 1.07 0.00 -1.23 0.00 0.00 174.94 173.04 1wr7 n GLN 6 N 6.90 0.13 -2.22 2.79 10.64 -1.26 -4.33 117.38 130.02 1wr7 n GLN 6 Ca 0.37 -1.24 -0.40 0.00 -1.83 0.00 0.00 57.00 53.90 1wr7 n GLN 6 Cb 0.46 0.37 -0.03 0.00 -0.86 0.00 0.00 30.24 30.18 1wr7 n GLN 6 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1wr7 s SER 7 N -1.24 5.75 0.00 2.61 0.01 -1.26 -4.41 113.70 115.16 1wr7 s SER 7 Ca 0.07 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1wr7 s SER 7 Cb 0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wr7 s SER 7 CO -0.04 -2.01 0.00 0.33 0.41 0.00 0.00 173.24 171.93 1wr7 n PHE 8 N 10.96 0.00 -4.21 2.43 7.35 -1.26 -4.78 117.46 127.95 1wr7 n PHE 8 Ca 0.16 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.60 1wr7 n PHE 8 Cb 0.50 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.26 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1wr7 s LEU 9 N 0.00 3.11 0.65 -2.13 1.02 -1.26 -4.95 118.68 115.11 1wr7 s LEU 9 Ca 0.00 -0.96 -0.17 0.00 0.02 0.00 0.00 54.13 53.03 1wr7 s LEU 9 Cb 0.00 -1.49 -0.00 0.00 0.02 0.00 0.00 46.19 44.72 1wr7 s LEU 9 CO 0.00 -0.35 1.17 -2.84 0.02 0.00 0.00 176.35 174.35 1wr7 s PRO 10 N -3.81 2.71 -0.21 1.29 0.02 -1.26 -4.55 135.00 129.18 1wr7 s PRO 10 Ca 0.37 1.65 -0.35 0.00 0.02 0.00 0.00 61.00 62.69 1wr7 s PRO 10 Cb 0.01 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 1wr7 s PRO 10 CO 0.21 -1.37 1.98 -0.35 -0.33 0.00 0.00 177.00 177.14 1wr7 n PRO 11 N -2.16 1.64 0.00 5.54 -0.04 -1.26 -1.65 135.00 137.07 1wr7 n PRO 11 Ca 0.12 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1wr7 n PRO 11 Cb 0.51 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 5.13 1.73 3.45 0.55 0.00 -1.26 -4.91 105.19 109.89 1wr7 n GLY 12 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.85 2.90 -0.51 1.61 0.52 -0.66 -0.49 118.94 120.46 1wr7 s TRP 13 Ca 0.00 -0.98 -0.24 0.00 0.02 0.00 0.00 56.10 54.90 1wr7 s TRP 13 Cb 0.00 -4.28 0.04 0.00 -1.15 0.00 0.00 33.47 28.07 1wr7 s TRP 13 CO 0.00 -1.56 0.89 -2.00 0.02 0.00 0.00 176.95 174.30 1wr7 s GLU 14 N 3.35 3.37 -0.17 4.98 2.12 0.11 -4.83 118.70 127.64 1wr7 s GLU 14 Ca 0.27 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.13 1wr7 s GLU 14 Cb -0.11 -4.01 -0.00 0.00 0.26 0.00 0.00 34.13 30.27 1wr7 s GLU 14 CO -0.00 -1.35 1.00 0.00 -0.54 0.00 0.00 175.26 174.37 1wr7 s MET 15 N 3.73 4.33 -0.04 4.30 0.23 -1.26 -0.66 119.30 129.93 1wr7 s MET 15 Ca 0.31 1.33 0.03 0.00 -1.03 0.00 0.00 55.69 56.33 1wr7 s MET 15 Cb -0.12 -3.59 0.01 0.00 -1.53 0.00 0.00 34.83 29.59 1wr7 s MET 15 CO 0.21 -0.46 -0.10 1.03 -2.03 0.00 0.00 175.02 173.66 1wr7 s ARG 16 N 2.57 1.20 -0.41 3.16 0.52 0.48 -4.96 118.95 121.53 1wr7 s ARG 16 Ca 0.45 -0.35 -0.22 0.00 -0.52 0.00 0.00 55.73 55.09 1wr7 s ARG 16 Cb -0.17 -1.08 0.02 0.00 0.52 0.00 0.00 34.95 34.24 1wr7 s ARG 16 CO 0.12 0.09 0.73 0.42 0.02 0.00 0.00 175.30 176.69 1wr7 s ILE 17 N 0.34 4.74 0.50 1.52 -1.09 -1.26 0.18 121.20 126.13 1wr7 s ILE 17 Ca -0.06 0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 58.70 1wr7 s ILE 17 Cb -0.11 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.46 1wr7 s ILE 17 CO 0.01 -0.55 0.99 0.00 -1.23 0.00 0.00 174.94 174.16 1wr7 s ALA 18 N 3.06 3.01 -1.84 9.38 0.00 -0.87 -4.92 121.76 129.59 1wr7 s ALA 18 Ca 0.28 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1wr7 s ALA 18 Cb -0.13 -3.15 0.34 0.00 0.00 0.00 0.00 23.12 20.18 1wr7 s ALA 18 CO 0.19 -0.19 0.88 -2.30 0.00 0.00 0.00 175.76 174.34 1wr7 n PRO 19 N -1.30 0.16 0.20 0.00 -0.02 -1.26 -1.11 135.00 131.66 1wr7 n PRO 19 Ca 0.07 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 1wr7 n PRO 19 Cb 0.54 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.81 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 -2.02 -3.46 115.58 116.86 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 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1wr7 h ASN 20 CO 0.00 0.27 0.00 0.61 -1.29 0.00 0.00 177.43 177.02 1wr7 n GLY 21 N 0.60 0.77 3.43 2.83 0.00 -0.27 -5.08 105.19 107.47 1wr7 n GLY 21 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1wr7 n GLY 21 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wr7 s ARG 22 N -0.48 3.59 -0.14 1.61 1.70 -1.24 -4.95 118.95 119.04 1wr7 s ARG 22 Ca 0.00 -0.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 1wr7 s ARG 22 Cb 0.00 -3.11 -0.05 0.00 -0.57 0.00 0.00 34.95 31.22 1wr7 s ARG 22 CO 0.00 -0.04 1.95 -2.14 -1.08 0.00 0.00 175.30 173.98 1wr7 s PRO 23 N 1.15 3.65 -0.13 3.89 0.02 -1.26 -2.04 135.00 140.28 1wr7 s PRO 23 Ca 0.03 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.09 1wr7 s PRO 23 Cb -0.14 -4.20 -0.03 0.00 0.02 0.00 0.00 34.50 30.14 1wr7 s PRO 23 CO 0.01 -1.50 0.02 -0.59 -0.33 0.00 0.00 177.00 174.62 1wr7 s PHE 24 N 6.13 3.19 -0.33 6.54 -0.12 0.13 -4.71 117.98 128.80 1wr7 s PHE 24 Ca 0.87 0.08 -0.10 0.00 -0.05 0.00 0.00 56.93 57.73 1wr7 s PHE 24 Cb -0.33 -1.91 -0.00 0.00 -0.63 0.00 0.00 43.02 40.14 1wr7 s PHE 24 CO 0.35 0.29 0.18 -0.06 -0.05 0.00 0.00 175.22 175.93 1wr7 s PHE 25 N -0.28 3.20 -0.39 3.49 0.08 0.79 -0.39 117.98 124.48 1wr7 s PHE 25 Ca 0.07 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.38 1wr7 s PHE 25 Cb -0.12 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1wr7 s PHE 25 CO 0.02 -0.48 0.32 -1.50 -0.10 0.00 0.00 175.22 173.48 1wr7 s ILE 26 N 1.62 5.23 -0.22 0.64 -1.16 0.16 -1.88 121.20 125.59 1wr7 s ILE 26 Ca 0.04 -0.44 -0.28 0.00 -0.51 0.00 0.00 60.65 59.46 1wr7 s ILE 26 Cb -0.17 -3.89 0.00 0.00 0.61 0.00 0.00 42.46 39.01 1wr7 s ILE 26 CO 0.07 -0.24 0.97 -0.62 -2.81 0.00 0.00 174.94 172.31 1wr7 s ASP 27 N 1.72 7.03 0.00 4.50 2.15 0.18 -0.71 116.67 131.54 1wr7 s ASP 27 Ca 0.07 1.29 0.26 0.00 0.43 0.00 0.00 52.55 54.60 1wr7 s ASP 27 Cb -0.18 -2.51 0.68 0.00 -0.30 0.00 0.00 42.92 40.61 1wr7 s ASP 27 CO 0.11 -0.61 1.52 1.41 -0.17 0.00 0.00 175.17 177.43 1wr7 n HIS 28 N 6.11 0.00 -0.07 -5.34 8.25 0.36 -1.91 115.22 122.63 1wr7 n HIS 28 Ca 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.48 1wr7 n HIS 28 Cb 0.47 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 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 1.57 0.00 -0.06 0.41 2.35 -1.91 -3.39 115.58 114.55 1wr7 h ASN 29 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1wr7 h ASN 29 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1wr7 h ASN 29 CO 0.00 0.83 0.00 0.35 -1.65 0.00 0.00 177.43 176.96 1wr7 n THR 30 N -4.65 0.10 -2.31 2.81 -2.24 -1.26 -5.02 114.28 101.70 1wr7 n THR 30 Ca -0.09 -0.55 -0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1wr7 n THR 30 Cb 0.28 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.81 -0.69 -4.19 -0.78 4.01 -0.91 -5.08 118.16 111.33 1wr7 n LYS 31 Ca 0.09 1.02 -0.19 0.00 -0.51 0.00 0.00 58.31 58.72 1wr7 n LYS 31 Cb 0.37 -3.72 -0.12 0.00 -0.51 0.00 0.00 35.03 31.05 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1wr7 s THR 32 N -3.00 1.12 -0.26 -0.18 2.01 -0.80 -4.96 115.64 109.56 1wr7 s THR 32 Ca 0.00 -1.27 0.01 0.00 0.31 0.00 0.00 61.69 60.74 1wr7 s THR 32 Cb -0.00 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.52 1wr7 s THR 32 CO 0.39 -0.20 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.22 1wr7 s THR 33 N -1.22 1.50 0.08 -0.82 2.01 -1.26 0.51 115.64 116.43 1wr7 s THR 33 Ca -0.02 -1.41 0.09 0.00 0.31 0.00 0.00 61.69 60.66 1wr7 s THR 33 Cb -0.10 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1wr7 s THR 33 CO 0.02 -0.28 -0.23 0.28 -0.69 0.00 0.00 174.62 173.72 1wr7 s THR 34 N 1.37 1.87 -0.50 -0.82 -1.32 -0.79 -4.97 115.64 110.48 1wr7 s THR 34 Ca -0.00 -1.44 0.23 0.00 -1.21 0.00 0.00 61.69 59.26 1wr7 s THR 34 Cb -0.19 -1.65 -0.11 0.00 -1.51 0.00 0.00 72.50 69.04 1wr7 s THR 34 CO -0.10 0.13 0.98 0.79 -2.21 0.00 0.00 174.62 174.22 1wr7 n TRP 35 N 1.43 0.36 -3.58 9.09 7.02 -1.26 -0.15 117.44 130.35 1wr7 n TRP 35 Ca -0.18 0.10 -0.40 0.00 -1.02 0.00 0.00 57.50 56.01 1wr7 n TRP 35 Cb 0.53 -0.53 -0.11 0.00 -2.42 0.00 0.00 31.31 28.78 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 -3.25 3.47 0.06 -0.99 2.02 -1.26 -4.73 118.70 114.02 1wr7 s GLU 36 Ca 0.02 -0.65 -0.35 0.00 0.02 0.00 0.00 54.97 54.01 1wr7 s GLU 36 Cb 0.14 -3.72 -0.14 0.00 0.10 0.00 0.00 34.13 30.51 1wr7 s GLU 36 CO 0.81 -0.42 1.62 -3.47 0.02 0.00 0.00 175.26 173.82 1wr7 n ASP 37 N 5.06 2.86 -0.01 -0.19 2.03 -1.26 -4.88 116.55 120.17 1wr7 n ASP 37 Ca -0.13 1.06 0.11 0.00 0.52 0.00 0.00 54.79 56.35 1wr7 n ASP 37 Cb 0.50 -1.35 0.53 0.00 -0.72 0.00 0.00 41.12 40.07 1wr7 n ASP 37 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wr7 h PRO 38 N 6.53 0.33 0.00 -0.67 0.13 -1.96 -2.14 132.00 134.22 1wr7 h PRO 38 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wr7 h PRO 38 Cb 1.28 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wr7 h PRO 38 CO 0.89 0.22 0.00 0.07 -0.23 0.00 0.00 178.00 178.94 1wr7 h ARG 39 N 0.34 0.00 -0.06 0.86 -0.00 -1.92 -2.87 114.38 110.72 1wr7 h ARG 39 Ca 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 60.07 1wr7 h ARG 39 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.36 1wr7 h ARG 39 CO -0.05 0.00 -0.52 -0.07 -0.00 0.00 0.00 179.97 179.33 1wr7 h LEU 40 N 0.00 0.18 -0.58 0.08 3.38 -1.76 -3.55 115.31 113.06 1wr7 h LEU 40 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wr7 h LEU 40 Cb 0.80 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1wr7 h LEU 40 CO 0.00 0.67 0.00 2.29 0.09 0.00 0.00 178.44 181.49