#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 h SER 2 N 0.00 -0.01 -4.06 1.61 4.64 -2.10 -3.45 113.55 110.17 1wr7 h SER 2 Ca 0.00 -0.83 -0.49 0.00 -0.47 0.00 0.00 61.79 60.00 1wr7 h SER 2 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1wr7 h SER 2 CO 0.00 0.89 0.30 -2.16 -0.87 0.00 0.00 176.83 175.00 1wr7 s PRO 3 N -2.26 3.76 3.66 4.77 0.04 -1.26 -4.78 135.00 138.93 1wr7 s PRO 3 Ca -0.16 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1wr7 s PRO 3 Cb -0.02 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1wr7 s PRO 3 CO 0.59 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.74 1wr7 n GLY 4 N -1.95 1.48 3.33 0.56 0.00 -1.26 -4.97 105.19 102.37 1wr7 n GLY 4 Ca 0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -8.00 -2.56 -0.61 5.41 -1.26 -4.94 119.36 107.41 1wr7 n ILE 5 Ca 0.00 -0.43 -0.41 0.00 1.00 0.00 0.00 62.75 62.91 1wr7 n ILE 5 Cb 0.00 -5.67 -0.04 0.00 -0.71 0.00 0.00 39.64 33.22 1wr7 n ILE 5 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1wr7 s GLN 6 N -4.01 4.59 -0.85 0.38 1.11 -1.26 -4.97 119.66 114.65 1wr7 s GLN 6 Ca 0.12 1.65 -0.19 0.00 0.01 0.00 0.00 55.36 56.96 1wr7 s GLN 6 Cb -0.03 -3.32 0.13 0.00 -1.01 0.00 0.00 33.01 28.78 1wr7 s GLN 6 CO 0.80 0.05 1.02 -1.54 0.01 0.00 0.00 175.29 175.63 1wr7 s SER 7 N 0.14 6.55 0.00 5.90 1.04 -1.26 -4.81 113.70 121.25 1wr7 s SER 7 Ca 0.50 -1.94 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1wr7 s SER 7 Cb -0.28 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1wr7 s SER 7 CO 0.33 -1.06 0.00 2.22 0.98 0.00 0.00 173.24 175.71 1wr7 n PHE 8 N 6.36 0.00 -4.55 5.02 -1.74 -1.26 -5.12 117.46 116.18 1wr7 n PHE 8 Ca 0.16 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.79 1wr7 n PHE 8 Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1wr7 s LEU 9 N -1.27 2.03 0.55 5.98 1.43 -1.26 -5.02 118.68 121.12 1wr7 s LEU 9 Ca 0.00 -1.68 -0.20 0.00 -1.03 0.00 0.00 54.13 51.22 1wr7 s LEU 9 Cb 0.00 -0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.00 1wr7 s LEU 9 CO 0.00 -0.93 1.20 -2.84 0.23 0.00 0.00 176.35 174.01 1wr7 s PRO 10 N -3.72 3.24 -0.40 1.29 0.02 -1.26 -4.82 135.00 129.36 1wr7 s PRO 10 Ca 0.21 1.81 -0.38 0.00 0.02 0.00 0.00 61.00 62.66 1wr7 s PRO 10 Cb 0.02 -2.08 -0.14 0.00 0.02 0.00 0.00 34.50 32.32 1wr7 s PRO 10 CO 0.13 -0.99 2.15 -0.35 -0.33 0.00 0.00 177.00 177.62 1wr7 n PRO 11 N -1.23 0.71 0.00 5.54 -0.04 -1.26 -0.83 135.00 137.89 1wr7 n PRO 11 Ca 0.11 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1wr7 n PRO 11 Cb 0.49 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 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 6.77 1.10 3.66 0.55 0.00 -1.26 -4.89 105.19 111.11 1wr7 n GLY 12 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.92 3.34 -0.36 1.61 0.52 -0.01 -0.02 118.94 123.10 1wr7 s TRP 13 Ca 0.00 1.34 -0.03 0.00 0.02 0.00 0.00 56.10 57.43 1wr7 s TRP 13 Cb 0.00 -3.17 0.08 0.00 -1.15 0.00 0.00 33.47 29.22 1wr7 s TRP 13 CO 0.00 -0.43 0.12 -2.00 0.02 0.00 0.00 176.95 174.66 1wr7 s GLU 14 N 2.96 2.28 0.02 4.98 2.12 0.31 -4.71 118.70 126.66 1wr7 s GLU 14 Ca 0.41 -1.50 -0.30 0.00 0.36 0.00 0.00 54.97 53.93 1wr7 s GLU 14 Cb -0.15 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1wr7 s GLU 14 CO 0.07 -0.84 1.01 0.00 -0.54 0.00 0.00 175.26 174.96 1wr7 s MET 15 N 1.23 4.56 0.03 4.30 0.23 -1.26 -0.89 119.30 127.50 1wr7 s MET 15 Ca 0.02 1.47 -0.01 0.00 -1.03 0.00 0.00 55.69 56.14 1wr7 s MET 15 Cb -0.21 -3.43 -0.02 0.00 -1.53 0.00 0.00 34.83 29.63 1wr7 s MET 15 CO -0.02 -0.05 -0.02 1.03 -2.03 0.00 0.00 175.02 173.93 1wr7 s ARG 16 N 0.89 0.41 -0.22 3.16 3.00 0.33 -4.99 118.95 121.54 1wr7 s ARG 16 Ca 0.52 -0.79 -0.07 0.00 0.00 0.00 0.00 55.73 55.40 1wr7 s ARG 16 Cb -0.23 0.15 -0.03 0.00 0.00 0.00 0.00 34.95 34.84 1wr7 s ARG 16 CO 0.28 -0.07 0.05 0.42 0.00 0.00 0.00 175.30 175.99 1wr7 s ILE 17 N -2.21 4.39 0.39 1.52 -1.09 -1.26 0.02 121.20 122.96 1wr7 s ILE 17 Ca -0.09 -0.16 -0.10 0.00 -2.23 0.00 0.00 60.65 58.07 1wr7 s ILE 17 Cb -0.04 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.76 1wr7 s ILE 17 CO -0.04 0.39 0.74 0.00 -1.23 0.00 0.00 174.94 174.81 1wr7 s ALA 18 N 1.11 3.38 -0.65 9.38 0.00 -0.99 -4.96 121.76 129.04 1wr7 s ALA 18 Ca 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 51.83 1wr7 s ALA 18 Cb -0.14 -2.66 0.39 0.00 0.00 0.00 0.00 23.12 20.71 1wr7 s ALA 18 CO 0.03 0.02 1.18 -2.30 0.00 0.00 0.00 175.76 174.69 1wr7 n PRO 19 N -1.25 0.05 0.19 0.00 -0.02 -1.26 -0.87 135.00 131.83 1wr7 n PRO 19 Ca 0.02 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1wr7 n PRO 19 Cb 0.54 -1.70 0.31 0.00 -0.02 0.00 0.00 33.50 32.64 1wr7 n PRO 19 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1wr7 h ASN 20 N 0.00 0.00 0.00 2.55 7.08 -2.04 -3.46 115.58 119.71 1wr7 h ASN 20 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1wr7 h ASN 20 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1wr7 h ASN 20 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 1wr7 n GLY 21 N 0.98 0.99 3.39 9.14 0.00 -0.05 -5.08 105.19 114.56 1wr7 n GLY 21 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.59 3.48 0.07 1.61 3.03 -1.24 -4.94 118.95 120.37 1wr7 s ARG 22 Ca 0.00 -0.59 -0.31 0.00 2.03 0.00 0.00 55.73 56.87 1wr7 s ARG 22 Cb 0.00 -3.26 -0.09 0.00 -1.03 0.00 0.00 34.95 30.57 1wr7 s ARG 22 CO 0.00 -0.24 1.77 -2.14 -1.13 0.00 0.00 175.30 173.56 1wr7 s PRO 23 N 1.56 4.16 0.01 3.89 0.02 -1.26 -2.33 135.00 141.05 1wr7 s PRO 23 Ca 0.06 2.47 0.06 0.00 0.02 0.00 0.00 61.00 63.60 1wr7 s PRO 23 Cb -0.15 -3.73 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 1wr7 s PRO 23 CO 0.02 -0.82 -0.18 -0.59 -0.33 0.00 0.00 177.00 175.10 1wr7 s PHE 24 N 3.11 2.57 -0.26 6.54 -0.71 0.10 -4.62 117.98 124.71 1wr7 s PHE 24 Ca 0.79 -0.25 -0.05 0.00 -1.04 0.00 0.00 56.93 56.38 1wr7 s PHE 24 Cb -0.42 -1.52 0.00 0.00 -1.21 0.00 0.00 43.02 39.88 1wr7 s PHE 24 CO 0.35 0.20 0.02 -0.06 -1.34 0.00 0.00 175.22 174.39 1wr7 s PHE 25 N -0.83 3.08 -0.41 3.49 0.08 0.20 -0.51 117.98 123.08 1wr7 s PHE 25 Ca 0.13 -1.00 -0.16 0.00 0.12 0.00 0.00 56.93 56.02 1wr7 s PHE 25 Cb -0.10 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1wr7 s PHE 25 CO 0.03 -0.57 0.36 -1.50 -0.10 0.00 0.00 175.22 173.44 1wr7 s ILE 26 N 1.48 5.18 -0.05 0.64 -1.16 -0.07 -1.79 121.20 125.44 1wr7 s ILE 26 Ca 0.03 -0.47 -0.30 0.00 -0.51 0.00 0.00 60.65 59.40 1wr7 s ILE 26 Cb -0.16 -3.97 -0.03 0.00 0.61 0.00 0.00 42.46 38.91 1wr7 s ILE 26 CO -0.00 -0.34 1.10 -0.62 -2.81 0.00 0.00 174.94 172.27 1wr7 s ASP 27 N 1.74 7.17 0.00 4.50 2.15 0.19 -0.53 116.67 131.88 1wr7 s ASP 27 Ca 0.09 1.73 0.23 0.00 0.43 0.00 0.00 52.55 55.02 1wr7 s ASP 27 Cb -0.18 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.38 1wr7 s ASP 27 CO 0.12 -0.47 1.44 1.41 -0.17 0.00 0.00 175.17 177.50 1wr7 n HIS 28 N 4.76 0.60 -0.07 -5.34 8.25 0.97 -1.93 115.22 122.45 1wr7 n HIS 28 Ca 0.09 -0.30 -0.06 0.00 -0.26 0.00 0.00 57.72 57.19 1wr7 n HIS 28 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 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 4.27 0.00 -0.01 0.41 2.35 -1.90 -3.40 115.58 117.28 1wr7 h ASN 29 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1wr7 h ASN 29 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1wr7 h ASN 29 CO 0.00 0.81 -0.32 0.35 -1.65 0.00 0.00 177.43 176.62 1wr7 n THR 30 N -4.62 0.00 -2.17 2.81 -2.24 -1.26 -5.01 114.28 101.79 1wr7 n THR 30 Ca -0.09 -0.34 -0.03 0.00 -2.27 0.00 0.00 64.05 61.32 1wr7 n THR 30 Cb 0.28 1.23 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.05 -0.73 -4.74 -0.78 4.01 -0.98 -5.07 118.16 109.93 1wr7 n LYS 31 Ca 0.08 0.63 -0.26 0.00 -0.51 0.00 0.00 58.31 58.24 1wr7 n LYS 31 Cb 0.38 -3.25 -0.14 0.00 -0.51 0.00 0.00 35.03 31.51 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 -3.08 1.70 -0.36 -0.18 2.01 -0.81 -4.94 115.64 109.98 1wr7 s THR 32 Ca 0.09 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.95 1wr7 s THR 32 Cb -0.01 -1.47 0.10 0.00 0.01 0.00 0.00 72.50 71.13 1wr7 s THR 32 CO 0.30 0.27 0.09 -0.89 -0.69 0.00 0.00 174.62 173.70 1wr7 s THR 33 N -0.74 2.63 0.10 -0.82 2.01 -1.26 0.53 115.64 118.08 1wr7 s THR 33 Ca 0.08 -2.18 0.09 0.00 0.31 0.00 0.00 61.69 59.99 1wr7 s THR 33 Cb -0.09 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1wr7 s THR 33 CO 0.01 -0.58 -0.22 0.28 -0.69 0.00 0.00 174.62 173.42 1wr7 s THR 34 N 1.00 1.83 -2.41 -0.82 -1.32 -0.74 -4.96 115.64 108.22 1wr7 s THR 34 Ca 0.08 -1.53 0.22 0.00 -1.21 0.00 0.00 61.69 59.25 1wr7 s THR 34 Cb -0.20 -1.64 0.43 0.00 -1.51 0.00 0.00 72.50 69.58 1wr7 s THR 34 CO -0.06 0.02 1.44 0.79 -2.21 0.00 0.00 174.62 174.60 1wr7 n TRP 35 N 1.18 0.42 -3.00 9.09 7.02 -1.26 0.60 117.44 131.48 1wr7 n TRP 35 Ca -0.19 -0.21 -0.43 0.00 -1.02 0.00 0.00 57.50 55.65 1wr7 n TRP 35 Cb 0.53 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.37 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 -1.58 3.33 -0.16 -0.99 0.41 -1.26 -4.85 118.70 113.59 1wr7 s GLU 36 Ca 0.37 -0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 54.34 1wr7 s GLU 36 Cb 0.21 -3.98 -0.05 0.00 -1.78 0.00 0.00 34.13 28.53 1wr7 s GLU 36 CO 0.30 -1.17 1.97 0.34 -0.49 0.00 0.00 175.26 176.21 1wr7 s ASP 37 N 2.30 5.97 0.00 -0.19 -1.08 -1.26 -4.85 116.67 117.56 1wr7 s ASP 37 Ca 0.26 1.97 0.23 0.00 -0.52 0.00 0.00 52.55 54.49 1wr7 s ASP 37 Cb -0.13 -2.52 1.30 0.00 -1.46 0.00 0.00 42.92 40.11 1wr7 s ASP 37 CO 0.20 -1.54 1.75 -2.65 0.52 0.00 0.00 175.17 173.45 1wr7 n PRO 38 N 8.16 0.59 0.00 4.34 -0.02 -1.26 -1.60 135.00 145.21 1wr7 n PRO 38 Ca 0.24 0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1wr7 n PRO 38 Cb 0.44 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 1wr7 n PRO 38 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wr7 n ARG 39 N -1.09 1.71 -0.10 -0.52 1.74 -1.26 -4.42 116.66 112.71 1wr7 n ARG 39 Ca 0.15 -0.74 -0.12 0.00 -0.77 0.00 0.00 57.85 56.37 1wr7 n ARG 39 Cb 0.11 -1.26 -0.13 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.22 1.11 0.00 0.55 4.77 -0.63 -5.27 117.00 117.32 1wr7 n LEU 40 Ca 0.06 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wr7 n LEU 40 Cb 0.33 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1wr7 n LEU 40 CO 0.21 0.62 0.07 2.29 -1.33 0.00 0.00 177.39 179.25