#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 n SER 2 N 0.00 3.43 0.00 1.61 7.64 -1.26 -4.96 113.62 120.08 1wr7 n SER 2 Ca 0.00 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1wr7 n SER 2 Cb 0.00 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 1wr7 n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wr7 n PRO 3 N 4.76 0.00 -2.62 1.43 -0.05 -1.26 -4.74 135.00 132.52 1wr7 n PRO 3 Ca 0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 63.22 1wr7 n PRO 3 Cb 0.31 -0.23 -0.03 0.00 -0.05 0.00 0.00 33.50 33.50 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 -0.54 1.11 -1.16 0.55 0.00 -1.26 -4.92 107.32 101.10 1wr7 s GLY 4 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 44.72 42.82 1wr7 s GLY 4 CO 0.00 2.53 2.12 0.29 0.00 0.00 0.00 173.10 178.04 1wr7 n ILE 5 N 6.38 2.77 -2.81 0.90 -5.35 -1.26 -4.47 119.36 115.52 1wr7 n ILE 5 Ca 0.10 -2.36 -0.16 0.00 -0.27 0.00 0.00 62.75 60.06 1wr7 n ILE 5 Cb 0.49 -2.48 0.00 0.00 -1.74 0.00 0.00 39.64 35.91 1wr7 n ILE 5 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wr7 n GLN 6 N 6.35 1.65 -3.82 6.28 1.13 -1.26 -5.04 117.38 122.66 1wr7 n GLN 6 Ca 0.52 -3.63 -0.36 0.00 -1.94 0.00 0.00 57.00 51.58 1wr7 n GLN 6 Cb 0.38 -1.62 -0.12 0.00 0.11 0.00 0.00 30.24 28.99 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 -3.03 5.15 0.00 1.08 0.01 -1.26 -5.00 113.70 110.65 1wr7 s SER 7 Ca 0.36 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.90 1wr7 s SER 7 Cb 0.40 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1wr7 s SER 7 CO -0.05 -0.44 0.00 0.49 0.41 0.00 0.00 173.24 173.66 1wr7 n PHE 8 N 4.62 0.00 -3.98 2.43 3.01 -1.26 -5.04 117.46 117.24 1wr7 n PHE 8 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.17 1wr7 n PHE 8 Cb 0.42 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.84 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1wr7 s LEU 9 N -0.28 3.36 0.41 4.37 1.43 -1.26 -5.01 118.68 121.69 1wr7 s LEU 9 Ca 0.00 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.13 1wr7 s LEU 9 Cb 0.00 -1.88 -0.10 0.00 0.03 0.00 0.00 46.19 44.24 1wr7 s LEU 9 CO 0.00 -0.36 1.30 -2.65 0.23 0.00 0.00 176.35 174.87 1wr7 n PRO 10 N -1.25 2.02 -1.51 1.29 -0.02 -1.26 -4.81 135.00 129.47 1wr7 n PRO 10 Ca -0.02 0.72 -0.52 0.00 -2.02 0.00 0.00 63.50 61.66 1wr7 n PRO 10 Cb 0.61 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1wr7 n PRO 10 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wr7 n PRO 11 N 0.12 1.15 0.00 0.52 -0.02 -1.26 -1.13 135.00 134.38 1wr7 n PRO 11 Ca 0.06 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1wr7 n PRO 11 Cb 0.39 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 5.94 1.30 3.68 -1.23 0.00 -1.26 -5.00 105.19 108.61 1wr7 n GLY 12 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.73 3.45 -0.25 1.61 0.52 -0.28 -0.03 118.94 123.22 1wr7 s TRP 13 Ca 0.00 1.12 0.00 0.00 0.02 0.00 0.00 56.10 57.24 1wr7 s TRP 13 Cb 0.00 -2.87 0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1wr7 s TRP 13 CO 0.00 -0.12 -0.09 -2.00 0.02 0.00 0.00 176.95 174.76 1wr7 s GLU 14 N 1.67 2.55 -0.22 4.98 2.12 0.11 -4.85 118.70 125.06 1wr7 s GLU 14 Ca 0.34 -1.16 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 1wr7 s GLU 14 Cb -0.17 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 1wr7 s GLU 14 CO 0.13 -0.48 1.25 0.00 -0.54 0.00 0.00 175.26 175.62 1wr7 s MET 15 N 1.22 4.13 -0.06 4.30 0.23 -1.26 -0.72 119.30 127.14 1wr7 s MET 15 Ca -0.04 1.48 0.05 0.00 -1.03 0.00 0.00 55.69 56.16 1wr7 s MET 15 Cb -0.18 -3.79 -0.01 0.00 -1.53 0.00 0.00 34.83 29.32 1wr7 s MET 15 CO -0.05 -0.84 -0.23 1.03 -2.03 0.00 0.00 175.02 172.90 1wr7 s ARG 16 N 3.70 2.36 -0.36 3.16 0.52 0.10 -4.94 118.95 123.49 1wr7 s ARG 16 Ca 0.54 -0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 1wr7 s ARG 16 Cb -0.19 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.30 1wr7 s ARG 16 CO 0.17 0.32 0.72 0.42 0.02 0.00 0.00 175.30 176.95 1wr7 s ILE 17 N -0.06 4.80 0.45 1.52 -1.09 -1.26 0.36 121.20 125.92 1wr7 s ILE 17 Ca -0.05 0.76 -0.20 0.00 -2.23 0.00 0.00 60.65 58.93 1wr7 s ILE 17 Cb -0.13 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.49 1wr7 s ILE 17 CO 0.04 -0.39 0.96 0.00 -1.23 0.00 0.00 174.94 174.32 1wr7 s ALA 18 N 2.94 3.03 -2.00 9.38 0.00 -0.46 -4.93 121.76 129.73 1wr7 s ALA 18 Ca 0.29 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1wr7 s ALA 18 Cb -0.14 -3.15 0.46 0.00 0.00 0.00 0.00 23.12 20.30 1wr7 s ALA 18 CO 0.16 0.02 0.88 -2.30 0.00 0.00 0.00 175.76 174.53 1wr7 n PRO 19 N -0.87 0.30 0.05 0.00 -0.02 -1.26 -0.52 135.00 132.68 1wr7 n PRO 19 Ca 0.07 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1wr7 n PRO 19 Cb 0.54 -1.41 0.22 0.00 -0.02 0.00 0.00 33.50 32.83 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 -0.91 0.63 0.00 2.55 0.23 -1.26 -4.93 115.26 111.58 1wr7 n ASN 20 Ca 0.06 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 1wr7 n ASN 20 Cb 0.03 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 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 1.37 1.03 3.38 4.83 0.00 0.32 -5.08 105.19 111.04 1wr7 n GLY 21 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.75 3.37 0.06 1.61 1.81 -1.20 -4.93 118.95 118.92 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 -3.30 -0.09 0.00 -0.45 0.00 0.00 34.95 31.11 1wr7 s ARG 22 CO 0.00 -0.30 1.95 -2.14 -0.68 0.00 0.00 175.30 174.13 1wr7 s PRO 23 N 1.54 4.14 -0.06 3.54 0.02 -1.26 -1.35 135.00 141.57 1wr7 s PRO 23 Ca 0.05 2.63 0.05 0.00 0.02 0.00 0.00 61.00 63.75 1wr7 s PRO 23 Cb -0.16 -4.03 -0.02 0.00 0.02 0.00 0.00 34.50 30.31 1wr7 s PRO 23 CO 0.02 -0.94 -0.21 -0.59 -0.33 0.00 0.00 177.00 174.95 1wr7 s PHE 24 N 4.07 2.53 -0.36 6.54 -0.12 0.16 -4.67 117.98 126.13 1wr7 s PHE 24 Ca 0.87 -0.56 -0.13 0.00 -0.05 0.00 0.00 56.93 57.06 1wr7 s PHE 24 Cb -0.44 -1.63 0.00 0.00 -0.63 0.00 0.00 43.02 40.33 1wr7 s PHE 24 CO 0.41 -0.11 0.24 -0.06 -0.05 0.00 0.00 175.22 175.65 1wr7 s PHE 25 N -0.27 3.23 -0.32 3.49 0.08 0.19 0.03 117.98 124.42 1wr7 s PHE 25 Ca 0.00 -0.47 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 1wr7 s PHE 25 Cb -0.13 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1wr7 s PHE 25 CO 0.03 -0.48 0.22 -1.50 -0.10 0.00 0.00 175.22 173.39 1wr7 s ILE 26 N 1.67 5.24 -0.10 0.64 -1.16 0.10 -1.84 121.20 125.75 1wr7 s ILE 26 Ca 0.05 -0.10 -0.30 0.00 -0.51 0.00 0.00 60.65 59.80 1wr7 s ILE 26 Cb -0.18 -3.62 -0.02 0.00 0.61 0.00 0.00 42.46 39.25 1wr7 s ILE 26 CO 0.09 0.09 1.11 -0.62 -2.81 0.00 0.00 174.94 172.80 1wr7 s ASP 27 N 1.73 7.13 0.00 4.50 2.15 0.33 -0.71 116.67 131.79 1wr7 s ASP 27 Ca 0.06 1.64 0.20 0.00 0.43 0.00 0.00 52.55 54.89 1wr7 s ASP 27 Cb -0.17 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.49 1wr7 s ASP 27 CO 0.10 -0.55 1.47 1.41 -0.17 0.00 0.00 175.17 177.43 1wr7 n HIS 28 N 5.35 0.35 -0.10 -5.34 8.25 0.95 -1.61 115.22 123.07 1wr7 n HIS 28 Ca 0.10 -0.17 -0.18 0.00 -0.26 0.00 0.00 57.72 57.20 1wr7 n HIS 28 Cb 0.47 0.00 -0.09 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 0.73 1.87 -0.40 0.41 3.02 -1.26 -4.55 115.26 115.09 1wr7 n ASN 29 Ca 0.17 0.45 0.05 0.00 -0.03 0.00 0.00 54.58 55.22 1wr7 n ASN 29 Cb 0.42 -0.91 0.05 0.00 -0.61 0.00 0.00 39.78 38.72 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 -4.45 0.08 -2.89 3.41 -2.24 -1.26 -5.04 114.28 101.90 1wr7 n THR 30 Ca -0.29 -0.54 -0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1wr7 n THR 30 Cb 0.61 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 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 0.53 -1.23 -4.29 -0.78 5.02 -0.63 -5.06 118.16 111.71 1wr7 n LYS 31 Ca 0.06 1.43 -0.24 0.00 -2.02 0.00 0.00 58.31 57.54 1wr7 n LYS 31 Cb 0.25 -5.33 -0.12 0.00 -0.02 0.00 0.00 35.03 29.81 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 -2.97 1.74 -0.26 -0.18 2.01 -1.07 -4.95 115.64 109.96 1wr7 s THR 32 Ca 0.01 -1.58 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1wr7 s THR 32 Cb -0.00 -1.59 0.07 0.00 0.01 0.00 0.00 72.50 70.98 1wr7 s THR 32 CO 0.67 -0.07 -0.05 0.42 -0.69 0.00 0.00 174.62 174.90 1wr7 s THR 33 N -1.22 1.85 0.03 -0.82 -4.23 -1.26 -0.52 115.64 109.47 1wr7 s THR 33 Ca 0.07 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1wr7 s THR 33 Cb -0.10 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1wr7 s THR 33 CO 0.04 -0.18 -0.21 0.28 -0.54 0.00 0.00 174.62 174.02 1wr7 s THR 34 N 1.22 1.69 -0.21 3.99 -1.32 -0.77 -4.98 115.64 115.27 1wr7 s THR 34 Ca -0.04 -1.15 0.21 0.00 -1.21 0.00 0.00 61.69 59.50 1wr7 s THR 34 Cb -0.19 -1.46 -0.03 0.00 -1.51 0.00 0.00 72.50 69.31 1wr7 s THR 34 CO -0.07 0.26 1.00 -0.50 -2.21 0.00 0.00 174.62 173.11 1wr7 h TRP 35 N 5.00 0.00 -3.51 9.09 4.06 -1.85 0.55 115.95 129.29 1wr7 h TRP 35 Ca -0.42 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 59.94 1wr7 h TRP 35 Cb 1.15 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.23 1wr7 h TRP 35 CO 0.48 0.17 0.68 -1.21 -3.56 0.00 0.00 178.44 175.00 1wr7 s GLU 36 N -3.23 3.82 -0.01 0.49 0.41 -1.26 -4.75 118.70 114.17 1wr7 s GLU 36 Ca -0.01 0.60 -0.32 0.00 -0.41 0.00 0.00 54.97 54.83 1wr7 s GLU 36 Cb 0.09 -3.82 -0.10 0.00 -1.78 0.00 0.00 34.13 28.52 1wr7 s GLU 36 CO 0.79 -1.03 1.93 -3.47 -0.49 0.00 0.00 175.26 172.99 1wr7 n ASP 37 N 6.98 3.85 0.00 -0.19 2.03 -1.26 -4.84 116.55 123.11 1wr7 n ASP 37 Ca 0.08 0.94 0.01 0.00 0.52 0.00 0.00 54.79 56.34 1wr7 n ASP 37 Cb 0.48 -1.46 0.03 0.00 -0.72 0.00 0.00 41.12 39.45 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 7.03 0.66 -0.12 -0.67 -0.04 -1.26 0.18 135.00 140.78 1wr7 n PRO 38 Ca 0.21 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 1wr7 n PRO 38 Cb 0.36 -1.03 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.53 0.64 0.09 0.54 5.12 -1.26 -4.49 116.66 116.78 1wr7 n ARG 39 Ca 0.01 0.22 0.04 0.00 -1.93 0.00 0.00 57.85 56.19 1wr7 n ARG 39 Cb 0.00 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 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 -0.34 0.00 -1.02 0.55 3.38 -1.84 -3.56 115.31 112.48 1wr7 h LEU 40 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1wr7 h LEU 40 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1wr7 h LEU 40 CO -0.17 0.41 0.00 0.29 0.09 0.00 0.00 178.44 179.06