#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 6.73 -0.92 1.61 0.01 -1.26 -4.90 113.70 114.97 1wr7 s SER 2 Ca 0.00 1.81 -0.08 0.00 1.31 0.00 0.00 55.95 58.99 1wr7 s SER 2 Cb 0.00 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.53 1wr7 s SER 2 CO 0.00 -0.93 3.21 -0.81 0.41 0.00 0.00 173.24 175.12 1wr7 n PRO 3 N 7.03 2.93 0.00 12.44 -0.04 -1.26 -4.87 135.00 151.23 1wr7 n PRO 3 Ca 0.16 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1wr7 n PRO 3 Cb 0.44 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1wr7 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wr7 n GLY 4 N 3.13 1.26 3.54 0.55 0.00 -1.26 -4.50 105.19 107.91 1wr7 n GLY 4 Ca 0.63 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 46.52 1wr7 n GLY 4 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wr7 s ILE 5 N 0.00 4.27 0.10 -0.61 -0.00 -1.26 -4.97 121.20 118.73 1wr7 s ILE 5 Ca 0.00 -1.63 -0.01 0.00 -0.00 0.00 0.00 60.65 59.00 1wr7 s ILE 5 Cb 0.00 -5.06 -0.04 0.00 -0.00 0.00 0.00 42.46 37.35 1wr7 s ILE 5 CO 0.00 -1.88 0.28 -1.58 -0.00 0.00 0.00 174.94 171.76 1wr7 s GLN 6 N 3.87 3.50 -0.38 0.37 0.74 -1.26 -5.02 119.66 121.48 1wr7 s GLN 6 Ca 0.47 -0.33 -0.27 0.00 0.05 0.00 0.00 55.36 55.28 1wr7 s GLN 6 Cb 0.01 -2.96 -0.05 0.00 1.10 0.00 0.00 33.01 31.11 1wr7 s GLN 6 CO -0.01 0.54 2.19 -1.54 -0.55 0.00 0.00 175.29 175.92 1wr7 s SER 7 N -2.59 5.12 0.05 6.67 1.04 -1.26 -4.86 113.70 117.86 1wr7 s SER 7 Ca 0.37 1.33 -0.33 0.00 0.48 0.00 0.00 55.95 57.81 1wr7 s SER 7 Cb -0.12 -2.51 -0.19 0.00 0.10 0.00 0.00 66.02 63.30 1wr7 s SER 7 CO 0.27 -2.31 1.44 -0.26 0.98 0.00 0.00 173.24 173.35 1wr7 h PHE 8 N 16.42 -1.01 -2.68 5.02 0.04 -1.99 -3.44 116.94 129.30 1wr7 h PHE 8 Ca -0.32 -0.02 -0.44 0.00 2.80 0.00 0.00 57.97 59.98 1wr7 h PHE 8 Cb 1.23 0.33 0.06 0.00 2.20 0.00 0.00 35.95 39.77 1wr7 h PHE 8 CO 0.96 -0.61 0.03 -0.51 -0.60 0.00 0.00 178.31 177.58 1wr7 s LEU 9 N -9.86 3.15 0.52 1.54 1.43 -1.26 -5.00 118.68 109.21 1wr7 s LEU 9 Ca -0.17 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 1wr7 s LEU 9 Cb 0.02 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 1wr7 s LEU 9 CO 0.55 -1.32 1.12 -2.84 0.23 0.00 0.00 176.35 174.10 1wr7 s PRO 10 N -4.90 3.47 -0.28 1.29 0.02 -1.26 -4.90 135.00 128.44 1wr7 s PRO 10 Ca 0.59 1.61 -0.36 0.00 0.02 0.00 0.00 61.00 62.86 1wr7 s PRO 10 Cb -0.10 -2.08 -0.12 0.00 0.02 0.00 0.00 34.50 32.22 1wr7 s PRO 10 CO 0.40 -0.75 2.04 -2.30 -0.33 0.00 0.00 177.00 176.06 1wr7 n PRO 11 N -1.13 1.35 0.00 5.54 -0.02 -1.26 -1.85 135.00 137.63 1wr7 n PRO 11 Ca 0.11 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1wr7 n PRO 11 Cb 0.51 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.63 1.44 3.69 -1.23 0.00 -1.26 -4.85 105.19 108.60 1wr7 n GLY 12 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.09 3.42 -0.27 1.61 0.52 -0.77 -0.62 118.94 121.73 1wr7 s TRP 13 Ca 0.00 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.63 1wr7 s TRP 13 Cb 0.00 -3.26 0.07 0.00 -1.15 0.00 0.00 33.47 29.13 1wr7 s TRP 13 CO 0.00 -0.53 -0.06 -2.00 0.02 0.00 0.00 176.95 174.38 1wr7 s GLU 14 N 2.14 1.86 -0.10 4.98 2.12 0.26 -4.94 118.70 125.02 1wr7 s GLU 14 Ca 0.50 -1.33 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 1wr7 s GLU 14 Cb -0.20 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 1wr7 s GLU 14 CO 0.18 -0.66 0.95 0.00 -0.54 0.00 0.00 175.26 175.20 1wr7 s MET 15 N 1.17 4.42 0.02 4.30 0.23 -1.26 -0.62 119.30 127.56 1wr7 s MET 15 Ca -0.04 1.30 0.07 0.00 -1.03 0.00 0.00 55.69 55.99 1wr7 s MET 15 Cb -0.19 -3.53 -0.02 0.00 -1.53 0.00 0.00 34.83 29.55 1wr7 s MET 15 CO -0.07 -0.26 -0.20 1.03 -2.03 0.00 0.00 175.02 173.49 1wr7 s ARG 16 N 1.82 1.46 -0.27 3.16 0.52 0.11 -4.93 118.95 120.82 1wr7 s ARG 16 Ca 0.46 -0.84 -0.17 0.00 -0.52 0.00 0.00 55.73 54.66 1wr7 s ARG 16 Cb -0.18 -1.51 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 1wr7 s ARG 16 CO 0.18 0.40 0.48 0.42 0.02 0.00 0.00 175.30 176.80 1wr7 s ILE 17 N -0.67 5.09 0.54 1.52 -1.09 -1.26 0.51 121.20 125.84 1wr7 s ILE 17 Ca 0.07 0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 59.11 1wr7 s ILE 17 Cb -0.08 -3.81 -0.06 0.00 -1.58 0.00 0.00 42.46 36.93 1wr7 s ILE 17 CO 0.01 0.07 0.97 0.00 -1.23 0.00 0.00 174.94 174.76 1wr7 s ALA 18 N 2.26 3.12 0.67 9.38 0.00 -0.70 -4.93 121.76 131.55 1wr7 s ALA 18 Ca 0.19 0.01 0.34 0.00 0.00 0.00 0.00 51.96 52.51 1wr7 s ALA 18 Cb -0.16 -3.04 1.88 0.00 0.00 0.00 0.00 23.12 21.81 1wr7 s ALA 18 CO 0.10 -0.38 2.06 -1.35 0.00 0.00 0.00 175.76 176.18 1wr7 h PRO 19 N 0.47 0.00 0.00 0.00 0.11 -1.97 0.22 132.00 130.82 1wr7 h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wr7 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wr7 h PRO 19 CO 0.62 0.00 0.00 -0.97 -0.21 0.00 0.00 178.00 177.44 1wr7 h ASN 20 N 0.00 0.00 0.00 -2.05 -0.73 -2.03 -3.45 115.58 107.32 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 0.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1wr7 h ASN 20 CO -0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 1wr7 n GLY 21 N -0.41 0.81 3.37 1.57 0.00 0.76 -5.06 105.19 106.24 1wr7 n GLY 21 Ca -0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.64 3.36 0.03 1.61 1.81 -1.24 -4.92 118.95 118.96 1wr7 s ARG 22 Ca 0.00 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 1wr7 s ARG 22 Cb 0.00 -3.27 -0.09 0.00 -0.45 0.00 0.00 34.95 31.14 1wr7 s ARG 22 CO 0.00 -0.29 1.97 -2.30 -0.68 0.00 0.00 175.30 174.00 1wr7 n PRO 23 N 4.87 2.83 -4.95 3.54 -0.02 -1.26 -1.73 135.00 138.28 1wr7 n PRO 23 Ca -0.16 1.04 -0.32 0.00 -2.02 0.00 0.00 63.50 62.03 1wr7 n PRO 23 Cb 0.50 -2.99 -0.14 0.00 -0.02 0.00 0.00 33.50 30.85 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 4.41 2.68 -0.37 6.00 -0.12 0.18 -4.69 117.98 126.08 1wr7 s PHE 24 Ca 0.89 -0.51 -0.14 0.00 -0.05 0.00 0.00 56.93 57.12 1wr7 s PHE 24 Cb -0.45 -1.71 -0.00 0.00 -0.63 0.00 0.00 43.02 40.23 1wr7 s PHE 24 CO 0.43 -0.08 0.30 -0.06 -0.05 0.00 0.00 175.22 175.76 1wr7 s PHE 25 N -0.14 3.22 -0.35 3.49 0.40 0.24 0.06 117.98 124.90 1wr7 s PHE 25 Ca -0.02 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.88 1wr7 s PHE 25 Cb -0.14 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 40.79 1wr7 s PHE 25 CO 0.04 -0.47 0.24 -1.50 0.70 0.00 0.00 175.22 174.23 1wr7 s ILE 26 N 1.81 5.26 -0.12 0.64 -1.16 0.20 -1.48 121.20 126.36 1wr7 s ILE 26 Ca 0.07 -0.27 -0.25 0.00 -0.51 0.00 0.00 60.65 59.69 1wr7 s ILE 26 Cb -0.18 -3.73 -0.02 0.00 0.61 0.00 0.00 42.46 39.14 1wr7 s ILE 26 CO 0.11 -0.04 0.81 -0.62 -2.81 0.00 0.00 174.94 172.39 1wr7 s ASP 27 N 1.72 7.01 0.00 4.50 2.15 0.11 -0.57 116.67 131.58 1wr7 s ASP 27 Ca 0.06 1.23 0.21 0.00 0.43 0.00 0.00 52.55 54.49 1wr7 s ASP 27 Cb -0.18 -2.46 0.73 0.00 -0.30 0.00 0.00 42.92 40.71 1wr7 s ASP 27 CO 0.10 -0.31 1.54 1.41 -0.17 0.00 0.00 175.17 177.74 1wr7 n HIS 28 N 4.70 0.22 -0.08 -5.34 8.25 0.21 -0.95 115.22 122.23 1wr7 n HIS 28 Ca 0.03 -0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 1wr7 n HIS 28 Cb 0.50 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 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 2.47 0.00 0.27 0.41 2.35 -1.89 -3.40 115.58 115.79 1wr7 h ASN 29 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1wr7 h ASN 29 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1wr7 h ASN 29 CO 0.00 1.06 -0.88 0.35 -1.65 0.00 0.00 177.43 176.31 1wr7 n THR 30 N -4.54 0.05 -3.18 2.81 -2.24 -1.26 -4.98 114.28 100.94 1wr7 n THR 30 Ca -0.18 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1wr7 n THR 30 Cb 0.43 0.52 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.65 -5.34 -4.31 -0.78 5.02 -0.12 -5.03 118.16 105.95 1wr7 n LYS 31 Ca 0.04 0.61 -0.26 0.00 -2.02 0.00 0.00 58.31 56.67 1wr7 n LYS 31 Cb 0.37 -4.94 -0.09 0.00 -0.02 0.00 0.00 35.03 30.34 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 -3.24 3.12 -0.21 -0.18 2.01 -1.09 -4.93 115.64 111.11 1wr7 s THR 32 Ca 0.23 -1.76 0.02 0.00 0.31 0.00 0.00 61.69 60.49 1wr7 s THR 32 Cb -0.10 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1wr7 s THR 32 CO 0.53 -0.16 -0.16 0.42 -0.69 0.00 0.00 174.62 174.55 1wr7 s THR 33 N -1.83 2.05 0.10 -0.82 -4.23 -1.26 -0.72 115.64 108.93 1wr7 s THR 33 Ca 0.26 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1wr7 s THR 33 Cb -0.08 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 1wr7 s THR 33 CO 0.15 0.32 -0.21 0.28 -0.54 0.00 0.00 174.62 174.62 1wr7 s THR 34 N 1.24 1.76 -0.20 3.99 -1.32 -0.55 -4.98 115.64 115.59 1wr7 s THR 34 Ca -0.00 -1.53 0.22 0.00 -1.21 0.00 0.00 61.69 59.17 1wr7 s THR 34 Cb -0.16 -1.59 -0.05 0.00 -1.51 0.00 0.00 72.50 69.19 1wr7 s THR 34 CO -0.10 -0.02 0.96 0.79 -2.21 0.00 0.00 174.62 174.04 1wr7 n TRP 35 N 1.14 0.84 -2.97 9.09 7.02 -1.26 0.80 117.44 132.10 1wr7 n TRP 35 Ca -0.19 0.25 -0.43 0.00 -1.02 0.00 0.00 57.50 56.10 1wr7 n TRP 35 Cb 0.53 -0.90 -0.05 0.00 -2.42 0.00 0.00 31.31 28.47 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 -3.38 3.36 -0.09 -0.99 0.41 -1.26 -4.71 118.70 112.05 1wr7 s GLU 36 Ca -0.02 -0.20 -0.38 0.00 -0.41 0.00 0.00 54.97 53.96 1wr7 s GLU 36 Cb 0.10 -3.97 -0.16 0.00 -1.78 0.00 0.00 34.13 28.33 1wr7 s GLU 36 CO 0.81 -1.17 1.58 -3.47 -0.49 0.00 0.00 175.26 172.52 1wr7 n ASP 37 N 6.75 2.21 0.02 -0.19 2.03 -1.26 -4.86 116.55 121.26 1wr7 n ASP 37 Ca 0.01 1.08 0.09 0.00 0.52 0.00 0.00 54.79 56.50 1wr7 n ASP 37 Cb 0.48 -1.20 0.40 0.00 -0.72 0.00 0.00 41.12 40.08 1wr7 n ASP 37 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wr7 n PRO 38 N 4.20 0.04 0.00 -0.67 -0.04 -1.26 -2.43 135.00 134.83 1wr7 n PRO 38 Ca 0.22 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1wr7 n PRO 38 Cb 0.18 -1.56 0.66 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.63 0.37 0.08 0.54 5.12 -1.26 -2.06 116.66 117.82 1wr7 n ARG 39 Ca 0.04 0.04 0.12 0.00 -1.93 0.00 0.00 57.85 56.12 1wr7 n ARG 39 Cb 0.22 -1.50 0.45 0.00 -1.16 0.00 0.00 32.46 30.48 1wr7 n ARG 39 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wr7 n LEU 40 N -1.29 0.52 -0.94 0.55 4.77 -1.02 -5.21 117.00 114.38 1wr7 n LEU 40 Ca 0.12 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1wr7 n LEU 40 Cb 0.21 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1wr7 n LEU 40 CO 0.20 -0.31 0.64 0.29 -1.33 0.00 0.00 177.39 176.89