#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 7.41 -0.33 1.61 0.01 -1.26 -4.96 113.70 116.19 1wr7 s SER 2 Ca 0.00 1.84 -0.27 0.00 1.31 0.00 0.00 55.95 58.82 1wr7 s SER 2 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1wr7 s SER 2 CO 0.00 -0.15 2.20 -2.16 0.41 0.00 0.00 173.24 173.54 1wr7 s PRO 3 N 0.16 2.85 0.00 12.44 0.04 -1.26 -4.94 135.00 144.29 1wr7 s PRO 3 Ca 0.49 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1wr7 s PRO 3 Cb -0.24 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1wr7 s PRO 3 CO 0.30 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.32 1wr7 n GLY 4 N 5.78 3.38 3.25 0.56 0.00 -1.26 -5.06 105.19 111.84 1wr7 n GLY 4 Ca 0.30 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 2.41 4.78 0.63 -0.61 -1.09 -1.26 -5.06 121.20 120.99 1wr7 s ILE 5 Ca 0.00 -2.10 -0.09 0.00 -2.23 0.00 0.00 60.65 56.23 1wr7 s ILE 5 Cb 0.00 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1wr7 s ILE 5 CO 0.00 -0.89 0.99 -1.10 -1.23 0.00 0.00 174.94 172.71 1wr7 s GLN 6 N 0.84 3.07 -1.07 2.79 1.11 -1.26 -4.96 119.66 120.18 1wr7 s GLN 6 Ca 0.10 0.32 -0.22 0.00 0.01 0.00 0.00 55.36 55.57 1wr7 s GLN 6 Cb -0.21 -2.15 0.05 0.00 -1.01 0.00 0.00 33.01 29.68 1wr7 s GLN 6 CO -0.03 -0.76 1.55 -1.54 0.01 0.00 0.00 175.29 174.52 1wr7 s SER 7 N -4.29 6.46 0.00 5.90 1.04 -1.26 -4.81 113.70 116.74 1wr7 s SER 7 Ca 0.55 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1wr7 s SER 7 Cb -0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1wr7 s SER 7 CO 0.49 -1.54 0.00 0.33 0.98 0.00 0.00 173.24 173.50 1wr7 n PHE 8 N 9.20 0.00 -2.07 5.02 7.35 -1.26 -5.16 117.46 130.53 1wr7 n PHE 8 Ca 0.37 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.78 1wr7 n PHE 8 Cb 0.50 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.45 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 2.73 0.38 -2.13 1.02 -1.26 -5.02 118.68 114.39 1wr7 s LEU 9 Ca 0.00 0.34 -0.27 0.00 0.02 0.00 0.00 54.13 54.21 1wr7 s LEU 9 Cb 0.00 -2.65 -0.11 0.00 0.02 0.00 0.00 46.19 43.45 1wr7 s LEU 9 CO 0.00 -2.18 1.35 -2.65 0.02 0.00 0.00 176.35 172.89 1wr7 n PRO 10 N -3.35 2.25 -0.12 1.29 -0.02 -1.26 -4.85 135.00 128.93 1wr7 n PRO 10 Ca 0.12 0.79 0.27 0.00 -2.02 0.00 0.00 63.50 62.66 1wr7 n PRO 10 Cb 0.60 -2.46 0.71 0.00 -0.02 0.00 0.00 33.50 32.33 1wr7 n PRO 10 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wr7 h PRO 11 N 2.53 0.00 0.00 0.52 0.11 -2.04 0.45 132.00 133.58 1wr7 h PRO 11 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wr7 h PRO 11 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wr7 h PRO 11 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 1wr7 n GLY 12 N -1.65 -1.19 3.61 -0.55 0.00 -1.26 -4.65 105.19 99.50 1wr7 n GLY 12 Ca 0.17 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.92 3.25 -0.36 1.61 0.52 0.16 0.03 118.94 121.24 1wr7 s TRP 13 Ca 0.12 0.53 -0.06 0.00 0.02 0.00 0.00 56.10 56.71 1wr7 s TRP 13 Cb 0.14 -2.71 0.05 0.00 -1.15 0.00 0.00 33.47 29.81 1wr7 s TRP 13 CO 0.38 -0.30 0.13 -2.00 0.02 0.00 0.00 176.95 175.18 1wr7 s GLU 14 N 2.26 2.54 0.05 4.98 2.12 0.37 -4.86 118.70 126.17 1wr7 s GLU 14 Ca 0.19 -1.30 -0.30 0.00 0.36 0.00 0.00 54.97 53.92 1wr7 s GLU 14 Cb -0.16 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1wr7 s GLU 14 CO 0.10 -0.75 1.06 0.00 -0.54 0.00 0.00 175.26 175.12 1wr7 s MET 15 N 1.37 4.54 0.01 4.30 0.23 -1.26 -0.72 119.30 127.77 1wr7 s MET 15 Ca -0.00 1.56 0.03 0.00 -1.03 0.00 0.00 55.69 56.25 1wr7 s MET 15 Cb -0.20 -3.39 -0.01 0.00 -1.53 0.00 0.00 34.83 29.69 1wr7 s MET 15 CO 0.02 -0.06 -0.09 1.03 -2.03 0.00 0.00 175.02 173.89 1wr7 s ARG 16 N 0.74 0.66 -0.43 3.16 0.52 1.00 -4.96 118.95 119.63 1wr7 s ARG 16 Ca 0.53 -0.43 -0.17 0.00 -0.52 0.00 0.00 55.73 55.14 1wr7 s ARG 16 Cb -0.25 -0.60 0.03 0.00 0.52 0.00 0.00 34.95 34.65 1wr7 s ARG 16 CO 0.29 0.16 0.41 0.42 0.02 0.00 0.00 175.30 176.60 1wr7 s ILE 17 N -0.49 5.14 0.58 1.52 -1.09 -1.26 0.18 121.20 125.78 1wr7 s ILE 17 Ca 0.01 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 1wr7 s ILE 17 Cb -0.05 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1wr7 s ILE 17 CO 0.00 -0.44 0.98 0.00 -1.23 0.00 0.00 174.94 174.25 1wr7 s ALA 18 N 1.99 3.15 -2.00 9.38 0.00 -0.86 -4.93 121.76 128.49 1wr7 s ALA 18 Ca 0.09 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1wr7 s ALA 18 Cb -0.19 -3.00 0.23 0.00 0.00 0.00 0.00 23.12 20.17 1wr7 s ALA 18 CO 0.12 -0.57 0.68 -2.30 0.00 0.00 0.00 175.76 173.68 1wr7 n PRO 19 N -2.52 0.13 0.00 0.00 -0.02 -1.26 -0.17 135.00 131.16 1wr7 n PRO 19 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 1wr7 n PRO 19 Cb 0.54 -1.46 0.43 0.00 -0.02 0.00 0.00 33.50 32.99 1wr7 n PRO 19 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1wr7 n ASN 20 N -0.96 0.52 0.00 2.55 0.23 -1.26 -4.91 115.26 111.43 1wr7 n ASN 20 Ca 0.03 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1wr7 n ASN 20 Cb 0.01 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1wr7 n ASN 20 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wr7 n GLY 21 N 1.41 0.66 3.40 4.83 0.00 0.76 -5.05 105.19 111.20 1wr7 n GLY 21 Ca 0.09 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.69 3.56 -0.15 1.61 1.81 -1.22 -4.93 118.95 118.93 1wr7 s ARG 22 Ca 0.00 -0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 53.19 1wr7 s ARG 22 Cb 0.00 -3.21 -0.05 0.00 -0.45 0.00 0.00 34.95 31.23 1wr7 s ARG 22 CO 0.00 -0.19 1.93 -2.14 -0.68 0.00 0.00 175.30 174.22 1wr7 s PRO 23 N 1.57 3.64 -0.06 3.54 0.02 -1.26 -2.03 135.00 140.42 1wr7 s PRO 23 Ca 0.06 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.15 1wr7 s PRO 23 Cb -0.15 -4.20 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 1wr7 s PRO 23 CO 0.01 -1.51 -0.12 -0.59 -0.33 0.00 0.00 177.00 174.46 1wr7 s PHE 24 N 6.16 2.77 -0.34 6.54 -0.12 0.13 -4.71 117.98 128.41 1wr7 s PHE 24 Ca 0.87 -0.11 -0.10 0.00 -0.05 0.00 0.00 56.93 57.54 1wr7 s PHE 24 Cb -0.33 -1.65 0.01 0.00 -0.63 0.00 0.00 43.02 40.42 1wr7 s PHE 24 CO 0.35 0.22 0.16 -0.06 -0.05 0.00 0.00 175.22 175.85 1wr7 s PHE 25 N -0.74 3.21 -0.34 3.49 0.08 0.16 -0.00 117.98 123.83 1wr7 s PHE 25 Ca 0.11 -0.82 -0.17 0.00 0.12 0.00 0.00 56.93 56.17 1wr7 s PHE 25 Cb -0.11 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 1wr7 s PHE 25 CO 0.01 -0.56 0.47 -1.50 -0.10 0.00 0.00 175.22 173.54 1wr7 s ILE 26 N 1.57 5.06 -0.12 0.64 -1.16 0.10 -1.94 121.20 125.35 1wr7 s ILE 26 Ca 0.03 0.34 -0.26 0.00 -0.51 0.00 0.00 60.65 60.25 1wr7 s ILE 26 Cb -0.18 -3.91 -0.02 0.00 0.61 0.00 0.00 42.46 38.96 1wr7 s ILE 26 CO 0.06 -0.14 0.85 -0.62 -2.81 0.00 0.00 174.94 172.27 1wr7 s ASP 27 N 1.73 7.06 -0.01 4.50 2.15 0.19 -0.48 116.67 131.80 1wr7 s ASP 27 Ca 0.17 1.29 0.20 0.00 0.43 0.00 0.00 52.55 54.64 1wr7 s ASP 27 Cb -0.16 -2.47 0.59 0.00 -0.30 0.00 0.00 42.92 40.58 1wr7 s ASP 27 CO 0.12 -0.33 1.49 1.41 -0.17 0.00 0.00 175.17 177.70 1wr7 n HIS 28 N 4.72 0.94 -0.09 -5.34 8.25 0.10 -2.36 115.22 121.44 1wr7 n HIS 28 Ca 0.04 -0.45 -0.23 0.00 -0.26 0.00 0.00 57.72 56.82 1wr7 n HIS 28 Cb 0.50 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.46 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 1.37 1.97 -0.16 0.41 3.02 -1.26 -4.62 115.26 115.98 1wr7 n ASN 29 Ca 0.22 0.27 0.06 0.00 -0.03 0.00 0.00 54.58 55.10 1wr7 n ASN 29 Cb 0.59 -0.83 0.09 0.00 -0.61 0.00 0.00 39.78 39.02 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 -3.99 1.30 -3.50 3.41 -2.24 -1.26 -5.02 114.28 102.97 1wr7 n THR 30 Ca -0.40 -1.54 -0.23 0.00 -2.27 0.00 0.00 64.05 59.61 1wr7 n THR 30 Cb 0.87 0.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.96 -2.20 -4.54 -0.78 5.02 -1.10 -5.01 118.16 108.59 1wr7 n LYS 31 Ca 0.10 0.65 -0.29 0.00 -2.02 0.00 0.00 58.31 56.75 1wr7 n LYS 31 Cb 0.61 -4.98 -0.13 0.00 -0.02 0.00 0.00 35.03 30.51 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 -3.46 2.20 -0.30 -0.18 2.01 -0.99 -4.96 115.64 109.95 1wr7 s THR 32 Ca 0.40 -1.64 0.01 0.00 0.31 0.00 0.00 61.69 60.77 1wr7 s THR 32 Cb -0.10 -1.93 0.09 0.00 0.01 0.00 0.00 72.50 70.57 1wr7 s THR 32 CO 0.80 0.16 0.05 -0.89 -0.69 0.00 0.00 174.62 174.06 1wr7 s THR 33 N -0.99 1.49 0.10 -0.82 2.01 -1.26 0.53 115.64 116.71 1wr7 s THR 33 Ca 0.13 -1.69 0.09 0.00 0.31 0.00 0.00 61.69 60.53 1wr7 s THR 33 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1wr7 s THR 33 CO 0.05 -0.53 -0.23 0.28 -0.69 0.00 0.00 174.62 173.50 1wr7 s THR 34 N 1.32 1.86 -0.19 -0.82 -1.32 -0.82 -4.97 115.64 110.71 1wr7 s THR 34 Ca 0.07 -1.58 0.22 0.00 -1.21 0.00 0.00 61.69 59.19 1wr7 s THR 34 Cb -0.18 -1.67 -0.07 0.00 -1.51 0.00 0.00 72.50 69.06 1wr7 s THR 34 CO -0.15 0.00 0.91 0.79 -2.21 0.00 0.00 174.62 173.96 1wr7 n TRP 35 N 1.10 0.82 -2.93 9.09 7.02 -1.26 0.35 117.44 131.63 1wr7 n TRP 35 Ca -0.19 0.24 -0.42 0.00 -1.02 0.00 0.00 57.50 56.12 1wr7 n TRP 35 Cb 0.53 -0.91 -0.05 0.00 -2.42 0.00 0.00 31.31 28.46 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 -3.31 4.06 -0.08 -0.99 2.02 -1.26 -4.73 118.70 114.42 1wr7 s GLU 36 Ca -0.02 0.73 -0.29 0.00 0.02 0.00 0.00 54.97 55.41 1wr7 s GLU 36 Cb 0.10 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.58 1wr7 s GLU 36 CO 0.81 -0.60 1.81 0.34 0.02 0.00 0.00 175.26 177.64 1wr7 s ASP 37 N 1.50 6.40 0.49 -0.19 -1.08 -1.26 -4.87 116.67 117.66 1wr7 s ASP 37 Ca 0.33 2.22 0.33 0.00 -0.52 0.00 0.00 52.55 54.91 1wr7 s ASP 37 Cb -0.15 -2.53 1.70 0.00 -1.46 0.00 0.00 42.92 40.48 1wr7 s ASP 37 CO 0.10 -1.15 2.00 1.55 0.52 0.00 0.00 175.17 178.19 1wr7 h PRO 38 N 10.74 0.00 0.00 4.34 0.13 -1.97 -0.64 132.00 144.60 1wr7 h PRO 38 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wr7 h PRO 38 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wr7 h PRO 38 CO 0.96 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 178.33 1wr7 h ARG 39 N 0.00 0.00 0.16 0.86 3.08 -1.97 -3.25 114.38 113.26 1wr7 h ARG 39 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1wr7 h ARG 39 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.17 1wr7 h ARG 39 CO 0.00 0.03 -1.29 -0.07 -1.07 0.00 0.00 179.97 177.57 1wr7 h LEU 40 N 0.00 0.56 0.00 3.04 3.38 -1.50 -3.54 115.31 117.25 1wr7 h LEU 40 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1wr7 h LEU 40 Cb 1.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wr7 h LEU 40 CO 0.00 1.46 0.00 0.29 0.09 0.00 0.00 178.44 180.28