#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 7.15 0.10 1.61 0.01 -1.26 -4.99 113.70 116.32 1wr7 s SER 2 Ca 0.00 1.61 -0.31 0.00 1.31 0.00 0.00 55.95 58.56 1wr7 s SER 2 Cb 0.00 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1wr7 s SER 2 CO 0.00 -0.53 1.76 -2.84 0.41 0.00 0.00 173.24 172.03 1wr7 s PRO 3 N 2.29 4.16 -0.48 12.44 0.02 -1.26 -4.95 135.00 147.23 1wr7 s PRO 3 Ca 0.51 2.48 0.07 0.00 0.02 0.00 0.00 61.00 64.07 1wr7 s PRO 3 Cb -0.20 -3.61 0.23 0.00 0.02 0.00 0.00 34.50 30.94 1wr7 s PRO 3 CO 0.18 -0.80 0.54 0.41 -0.33 0.00 0.00 177.00 176.99 1wr7 n GLY 4 N 4.14 3.26 2.34 0.52 0.00 -1.26 -4.92 105.19 109.26 1wr7 n GLY 4 Ca 0.17 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 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 1.58 3.16 1.03 -0.61 5.41 -1.26 -4.47 119.36 124.20 1wr7 n ILE 5 Ca 0.25 -3.74 0.12 0.00 1.00 0.00 0.00 62.75 60.38 1wr7 n ILE 5 Cb 0.48 -1.18 0.13 0.00 -0.71 0.00 0.00 39.64 38.36 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 -0.75 2.29 -2.15 0.38 1.13 -1.26 -4.97 117.38 112.04 1wr7 n GLN 6 Ca 0.53 -1.87 -0.41 0.00 -1.94 0.00 0.00 57.00 53.32 1wr7 n GLN 6 Cb 0.69 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 1wr7 n GLN 6 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1wr7 s SER 7 N -2.00 6.82 0.09 1.08 0.01 -1.26 -5.03 113.70 113.41 1wr7 s SER 7 Ca 0.29 2.58 0.07 0.00 1.31 0.00 0.00 55.95 60.20 1wr7 s SER 7 Cb 0.20 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1wr7 s SER 7 CO 0.30 -0.53 -0.19 0.72 0.41 0.00 0.00 173.24 173.96 1wr7 s PHE 8 N -0.66 1.62 0.76 2.43 -0.12 -1.26 -5.10 117.98 115.66 1wr7 s PHE 8 Ca 0.52 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.95 1wr7 s PHE 8 Cb -0.39 -0.90 0.14 0.00 -0.63 0.00 0.00 43.02 41.24 1wr7 s PHE 8 CO 0.47 0.15 1.05 -0.51 -0.05 0.00 0.00 175.22 176.33 1wr7 s LEU 9 N -1.76 2.93 0.75 -1.99 1.02 -1.26 -5.06 118.68 113.31 1wr7 s LEU 9 Ca 0.04 -0.26 -0.15 0.00 0.02 0.00 0.00 54.13 53.78 1wr7 s LEU 9 Cb -0.10 -2.02 0.04 0.00 0.02 0.00 0.00 46.19 44.13 1wr7 s LEU 9 CO 0.03 -2.02 1.17 -2.65 0.02 0.00 0.00 176.35 172.91 1wr7 n PRO 10 N -2.99 0.50 -1.67 1.29 -0.02 -1.26 -4.79 135.00 126.06 1wr7 n PRO 10 Ca 0.15 0.24 -0.54 0.00 -2.02 0.00 0.00 63.50 61.33 1wr7 n PRO 10 Cb 0.60 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1wr7 n PRO 10 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wr7 n PRO 11 N -2.59 1.40 0.00 0.52 -0.04 -1.26 -1.04 135.00 132.00 1wr7 n PRO 11 Ca 0.14 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1wr7 n PRO 11 Cb 0.50 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 4.61 2.14 3.69 0.55 0.00 -1.26 -4.89 105.19 110.04 1wr7 n GLY 12 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.04 3.53 -0.29 1.61 0.52 -0.20 -0.34 118.94 121.73 1wr7 s TRP 13 Ca 0.00 1.40 0.02 0.00 0.02 0.00 0.00 56.10 57.54 1wr7 s TRP 13 Cb 0.00 -3.01 0.07 0.00 -1.15 0.00 0.00 33.47 29.38 1wr7 s TRP 13 CO 0.00 -0.10 -0.05 -2.00 0.02 0.00 0.00 176.95 174.82 1wr7 s GLU 14 N 1.51 2.13 -0.27 4.98 2.12 -0.21 -4.72 118.70 124.25 1wr7 s GLU 14 Ca 0.43 -1.45 -0.28 0.00 0.36 0.00 0.00 54.97 54.03 1wr7 s GLU 14 Cb -0.18 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.20 1wr7 s GLU 14 CO 0.18 -0.66 1.00 0.00 -0.54 0.00 0.00 175.26 175.24 1wr7 s MET 15 N 1.09 4.16 0.01 4.30 0.23 -1.26 -0.80 119.30 127.02 1wr7 s MET 15 Ca -0.04 1.14 0.05 0.00 -1.03 0.00 0.00 55.69 55.81 1wr7 s MET 15 Cb -0.20 -3.68 -0.02 0.00 -1.53 0.00 0.00 34.83 29.40 1wr7 s MET 15 CO -0.05 -0.71 -0.17 1.03 -2.03 0.00 0.00 175.02 173.09 1wr7 s ARG 16 N 3.28 1.28 -0.38 3.16 0.52 0.66 -4.95 118.95 122.51 1wr7 s ARG 16 Ca 0.42 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.77 1wr7 s ARG 16 Cb -0.14 -1.27 0.01 0.00 0.52 0.00 0.00 34.95 34.06 1wr7 s ARG 16 CO 0.10 0.34 0.47 0.42 0.02 0.00 0.00 175.30 176.65 1wr7 s ILE 17 N -0.55 5.05 0.60 1.52 -1.09 -1.26 0.36 121.20 125.82 1wr7 s ILE 17 Ca 0.06 -0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 1wr7 s ILE 17 Cb -0.07 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1wr7 s ILE 17 CO 0.00 -0.31 1.08 0.00 -1.23 0.00 0.00 174.94 174.48 1wr7 s ALA 18 N 2.27 2.66 -0.69 9.38 0.00 -0.41 -4.90 121.76 130.07 1wr7 s ALA 18 Ca 0.15 0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.72 1wr7 s ALA 18 Cb -0.16 -3.28 0.47 0.00 0.00 0.00 0.00 23.12 20.15 1wr7 s ALA 18 CO 0.14 -0.90 1.27 -2.30 0.00 0.00 0.00 175.76 173.97 1wr7 n PRO 19 N -1.94 0.05 0.00 0.00 -0.02 -1.26 -0.61 135.00 131.22 1wr7 n PRO 19 Ca 0.10 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.27 1wr7 n PRO 19 Cb 0.52 -1.68 0.88 0.00 -0.02 0.00 0.00 33.50 33.21 1wr7 n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wr7 n ASN 20 N -1.79 0.00 0.00 2.55 3.02 -1.26 -4.85 115.26 112.92 1wr7 n ASN 20 Ca -0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1wr7 n ASN 20 Cb 0.02 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1wr7 n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wr7 n GLY 21 N 1.05 0.71 3.38 7.41 0.00 0.22 -5.03 105.19 112.94 1wr7 n GLY 21 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 3.52 0.02 1.61 1.70 -1.21 -4.91 118.95 119.02 1wr7 s ARG 22 Ca 0.00 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 1wr7 s ARG 22 Cb 0.00 -3.17 -0.08 0.00 -0.57 0.00 0.00 34.95 31.13 1wr7 s ARG 22 CO 0.00 -0.18 1.85 -2.14 -1.08 0.00 0.00 175.30 173.75 1wr7 s PRO 23 N 1.53 4.16 -0.01 3.89 0.02 -1.26 -1.29 135.00 142.03 1wr7 s PRO 23 Ca 0.06 2.48 0.06 0.00 0.02 0.00 0.00 61.00 63.62 1wr7 s PRO 23 Cb -0.15 -4.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.30 1wr7 s PRO 23 CO 0.00 -0.91 -0.18 -0.59 -0.33 0.00 0.00 177.00 174.99 1wr7 s PHE 24 N 4.13 2.56 -0.33 6.54 -0.12 0.16 -4.77 117.98 126.15 1wr7 s PHE 24 Ca 0.83 -0.26 -0.08 0.00 -0.05 0.00 0.00 56.93 57.38 1wr7 s PHE 24 Cb -0.40 -1.54 0.03 0.00 -0.63 0.00 0.00 43.02 40.48 1wr7 s PHE 24 CO 0.37 0.16 0.12 -0.06 -0.05 0.00 0.00 175.22 175.76 1wr7 s PHE 25 N -0.77 3.22 -0.34 3.49 0.08 0.22 -0.25 117.98 123.63 1wr7 s PHE 25 Ca 0.12 -1.18 -0.15 0.00 0.12 0.00 0.00 56.93 55.84 1wr7 s PHE 25 Cb -0.10 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 1wr7 s PHE 25 CO 0.02 -0.66 0.34 -1.50 -0.10 0.00 0.00 175.22 173.31 1wr7 s ILE 26 N 1.47 5.19 -0.09 0.64 -1.16 0.02 -1.53 121.20 125.74 1wr7 s ILE 26 Ca 0.00 0.02 -0.29 0.00 -0.51 0.00 0.00 60.65 59.88 1wr7 s ILE 26 Cb -0.19 -3.80 -0.02 0.00 0.61 0.00 0.00 42.46 39.07 1wr7 s ILE 26 CO 0.04 -0.06 0.95 -0.62 -2.81 0.00 0.00 174.94 172.43 1wr7 s ASP 27 N 1.73 7.21 0.00 4.50 2.15 0.10 -1.04 116.67 131.32 1wr7 s ASP 27 Ca 0.11 1.48 0.23 0.00 0.43 0.00 0.00 52.55 54.80 1wr7 s ASP 27 Cb -0.17 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.49 1wr7 s ASP 27 CO 0.11 -0.37 1.49 1.41 -0.17 0.00 0.00 175.17 177.64 1wr7 n HIS 28 N 4.70 0.81 -0.12 -5.34 8.25 0.54 -2.17 115.22 121.89 1wr7 n HIS 28 Ca 0.07 -0.41 -0.26 0.00 -0.26 0.00 0.00 57.72 56.86 1wr7 n HIS 28 Cb 0.49 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 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 1.62 1.91 -0.43 0.41 3.02 -1.26 -4.53 115.26 116.01 1wr7 n ASN 29 Ca 0.23 0.38 0.04 0.00 -0.03 0.00 0.00 54.58 55.20 1wr7 n ASN 29 Cb 0.62 -0.89 0.09 0.00 -0.61 0.00 0.00 39.78 38.99 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 -4.33 0.74 -3.16 3.41 -2.24 -1.26 -5.03 114.28 102.40 1wr7 n THR 30 Ca -0.43 -0.87 -0.06 0.00 -2.27 0.00 0.00 64.05 60.42 1wr7 n THR 30 Cb 0.79 0.67 0.02 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.29 -1.55 -4.38 -0.78 5.02 -0.96 -5.04 118.16 110.76 1wr7 n LYS 31 Ca 0.07 1.28 -0.20 0.00 -2.02 0.00 0.00 58.31 57.44 1wr7 n LYS 31 Cb 0.33 -5.56 -0.13 0.00 -0.02 0.00 0.00 35.03 29.65 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 -3.11 1.15 -0.33 -0.18 2.01 -0.92 -4.97 115.64 109.29 1wr7 s THR 32 Ca 0.13 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1wr7 s THR 32 Cb -0.02 -1.03 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1wr7 s THR 32 CO 0.76 0.03 0.07 0.42 -0.69 0.00 0.00 174.62 175.21 1wr7 s THR 33 N -0.83 3.40 0.03 -0.82 -4.23 -1.26 0.03 115.64 111.96 1wr7 s THR 33 Ca 0.02 -1.32 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 1wr7 s THR 33 Cb -0.08 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 1wr7 s THR 33 CO 0.01 -0.19 -0.23 0.28 -0.54 0.00 0.00 174.62 173.95 1wr7 s THR 34 N 1.32 1.87 -0.18 3.99 -1.32 -0.58 -4.99 115.64 115.75 1wr7 s THR 34 Ca -0.02 -1.23 0.11 0.00 -1.21 0.00 0.00 61.69 59.33 1wr7 s THR 34 Cb -0.20 -1.60 -0.23 0.00 -1.51 0.00 0.00 72.50 68.96 1wr7 s THR 34 CO 0.01 0.33 0.14 0.79 -2.21 0.00 0.00 174.62 173.67 1wr7 n TRP 35 N 1.95 0.32 -2.52 9.09 7.02 -1.26 0.70 117.44 132.74 1wr7 n TRP 35 Ca -0.17 0.10 -0.43 0.00 -1.02 0.00 0.00 57.50 55.98 1wr7 n TRP 35 Cb 0.53 -1.05 -0.02 0.00 -2.42 0.00 0.00 31.31 28.34 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 -2.53 3.77 0.20 -0.99 8.01 -1.26 -4.71 118.70 121.19 1wr7 s GLU 36 Ca -0.16 0.83 -0.33 0.00 0.01 0.00 0.00 54.97 55.32 1wr7 s GLU 36 Cb 0.07 -3.91 -0.14 0.00 -4.31 0.00 0.00 34.13 25.85 1wr7 s GLU 36 CO 0.77 -1.32 1.49 -0.40 0.01 0.00 0.00 175.26 175.81 1wr7 n ASP 37 N 7.91 2.92 -0.14 -0.19 5.75 -1.26 -4.83 116.55 126.71 1wr7 n ASP 37 Ca 0.14 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 56.03 1wr7 n ASP 37 Cb 0.48 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1wr7 n ASP 37 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wr7 n PRO 38 N 2.70 0.59 -0.05 0.11 -0.04 -1.26 -2.46 135.00 134.59 1wr7 n PRO 38 Ca 0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1wr7 n PRO 38 Cb 0.30 -1.08 0.44 0.00 -0.04 0.00 0.00 33.50 33.11 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 -0.30 1.70 -0.00 0.54 1.74 -1.26 -3.52 116.66 115.56 1wr7 n ARG 39 Ca 0.00 -1.04 0.03 0.00 -0.77 0.00 0.00 57.85 56.08 1wr7 n ARG 39 Cb 0.04 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1wr7 n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wr7 n LEU 40 N 0.25 0.14 0.00 0.55 4.77 -1.03 -5.30 117.00 116.38 1wr7 n LEU 40 Ca 0.17 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1wr7 n LEU 40 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1wr7 n LEU 40 CO 0.14 0.03 0.24 2.29 -1.33 0.00 0.00 177.39 178.77