#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 -0.54 -0.02 1.61 0.02 -2.09 -3.09 113.55 109.44 1wr7 h SER 2 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1wr7 h SER 2 Cb 0.00 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1wr7 h SER 2 CO 0.00 -0.21 0.00 -0.81 -1.14 0.00 0.00 176.83 174.67 1wr7 n PRO 3 N -5.27 1.44 -0.25 3.45 -0.04 -1.26 -4.99 135.00 128.08 1wr7 n PRO 3 Ca -0.11 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1wr7 n PRO 3 Cb 0.31 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 1.11 -0.38 2.95 0.55 0.00 -1.17 -5.13 105.19 103.13 1wr7 n GLY 4 Ca 0.20 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.00 -1.10 -0.61 -5.25 -1.26 -5.05 121.20 107.93 1wr7 s ILE 5 Ca 0.00 0.01 -0.20 0.00 -0.99 0.00 0.00 60.65 59.47 1wr7 s ILE 5 Cb 0.00 -0.12 0.08 0.00 2.95 0.00 0.00 42.46 45.38 1wr7 s ILE 5 CO 0.00 0.00 1.47 -1.58 -1.79 0.00 0.00 174.94 173.04 1wr7 s GLN 6 N 0.09 3.76 -0.23 0.37 -0.44 -1.26 -4.85 119.66 117.10 1wr7 s GLN 6 Ca -0.00 -1.64 -0.29 0.00 -2.50 0.00 0.00 55.36 50.92 1wr7 s GLN 6 Cb -0.01 -5.29 -0.01 0.00 -1.64 0.00 0.00 33.01 26.05 1wr7 s GLN 6 CO -0.00 -2.09 1.40 -1.12 0.50 0.00 0.00 175.29 173.98 1wr7 s SER 7 N 4.28 6.65 0.04 6.67 0.01 -1.26 -4.94 113.70 125.16 1wr7 s SER 7 Ca 0.45 1.50 -0.23 0.00 1.31 0.00 0.00 55.95 58.98 1wr7 s SER 7 Cb -0.00 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 1wr7 s SER 7 CO -0.04 -1.05 1.34 2.19 0.41 0.00 0.00 173.24 176.10 1wr7 h PHE 8 N 9.46 -0.81 -1.81 2.43 -0.00 -2.02 -3.46 116.94 120.74 1wr7 h PHE 8 Ca -0.29 -0.01 -0.59 0.00 -0.00 0.00 0.00 57.97 57.08 1wr7 h PHE 8 Cb 1.12 0.29 -0.13 0.00 -0.00 0.00 0.00 35.95 37.22 1wr7 h PHE 8 CO 0.87 -0.45 -0.57 -0.51 -0.00 0.00 0.00 178.31 177.65 1wr7 s LEU 9 N -7.73 2.43 0.59 2.10 1.02 -1.26 -4.96 118.68 110.88 1wr7 s LEU 9 Ca -0.12 -1.48 -0.20 0.00 0.02 0.00 0.00 54.13 52.35 1wr7 s LEU 9 Cb 0.02 -0.61 -0.03 0.00 0.02 0.00 0.00 46.19 45.58 1wr7 s LEU 9 CO 0.36 -0.65 1.33 -2.84 0.02 0.00 0.00 176.35 174.57 1wr7 s PRO 10 N -3.80 2.88 0.06 1.29 0.02 -1.26 -4.86 135.00 129.33 1wr7 s PRO 10 Ca 0.27 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.50 1wr7 s PRO 10 Cb 0.07 -2.08 0.21 0.00 0.02 0.00 0.00 34.50 32.72 1wr7 s PRO 10 CO 0.13 -1.37 1.08 -2.30 -0.33 0.00 0.00 177.00 174.21 1wr7 n PRO 11 N -1.42 0.02 -0.02 5.54 -0.02 -1.26 -0.44 135.00 137.41 1wr7 n PRO 11 Ca 0.13 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1wr7 n PRO 11 Cb 0.46 -1.62 0.48 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.43 0.10 3.42 -1.23 0.00 -1.26 -4.77 105.19 100.02 1wr7 n GLY 12 Ca -0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.94 3.17 -0.56 1.61 0.52 0.42 -1.63 118.94 120.53 1wr7 s TRP 13 Ca 0.36 -0.67 -0.17 0.00 0.02 0.00 0.00 56.10 55.64 1wr7 s TRP 13 Cb 0.20 -2.34 0.12 0.00 -1.15 0.00 0.00 33.47 30.31 1wr7 s TRP 13 CO 0.31 -0.49 0.57 -2.00 0.02 0.00 0.00 176.95 175.36 1wr7 s GLU 14 N 1.59 3.02 -0.93 4.98 2.12 -0.40 -4.87 118.70 124.21 1wr7 s GLU 14 Ca 0.04 -1.62 -0.24 0.00 0.36 0.00 0.00 54.97 53.51 1wr7 s GLU 14 Cb -0.17 -4.30 0.04 0.00 0.26 0.00 0.00 34.13 29.96 1wr7 s GLU 14 CO 0.05 -1.39 1.42 0.00 -0.54 0.00 0.00 175.26 174.80 1wr7 s MET 15 N 1.88 3.44 -0.08 4.30 0.23 -1.26 -0.63 119.30 127.18 1wr7 s MET 15 Ca 0.06 -0.83 -0.24 0.00 -1.03 0.00 0.00 55.69 53.64 1wr7 s MET 15 Cb -0.28 -5.01 -0.03 0.00 -1.53 0.00 0.00 34.83 27.98 1wr7 s MET 15 CO 0.04 -2.23 0.75 1.03 -2.03 0.00 0.00 175.02 172.57 1wr7 s ARG 16 N 5.27 4.41 -0.62 3.16 0.52 0.42 -4.77 118.95 127.34 1wr7 s ARG 16 Ca 0.44 0.94 -0.23 0.00 -0.52 0.00 0.00 55.73 56.36 1wr7 s ARG 16 Cb -0.03 -3.48 0.06 0.00 0.52 0.00 0.00 34.95 32.03 1wr7 s ARG 16 CO -0.02 -0.03 0.93 0.42 0.02 0.00 0.00 175.30 176.62 1wr7 s ILE 17 N 1.11 4.38 0.43 1.52 -1.09 -1.26 0.25 121.20 126.55 1wr7 s ILE 17 Ca 0.39 -0.18 -0.24 0.00 -2.23 0.00 0.00 60.65 58.39 1wr7 s ILE 17 Cb -0.18 -4.61 -0.08 0.00 -1.58 0.00 0.00 42.46 36.01 1wr7 s ILE 17 CO 0.18 -1.31 1.12 0.00 -1.23 0.00 0.00 174.94 173.70 1wr7 s ALA 18 N 3.92 3.03 -1.44 9.38 0.00 -1.08 -4.89 121.76 130.68 1wr7 s ALA 18 Ca 0.24 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1wr7 s ALA 18 Cb -0.16 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.72 1wr7 s ALA 18 CO 0.13 -0.48 0.86 -0.35 0.00 0.00 0.00 175.76 175.92 1wr7 n PRO 19 N -0.28 0.03 0.21 0.00 -0.04 -1.26 -0.30 135.00 133.35 1wr7 n PRO 19 Ca 0.06 0.26 0.15 0.00 -0.04 0.00 0.00 63.50 63.93 1wr7 n PRO 19 Cb 0.48 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.08 1wr7 n PRO 19 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1wr7 h ASN 20 N 0.00 0.00 0.00 3.54 -0.73 -2.01 -3.45 115.58 112.92 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 0.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.61 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 -0.21 0.60 3.31 1.57 0.00 0.59 -5.04 105.19 106.00 1wr7 n GLY 21 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.85 2.71 -0.09 1.61 1.81 -1.21 -4.95 118.95 117.98 1wr7 s ARG 22 Ca 0.00 -1.13 -0.32 0.00 -1.72 0.00 0.00 55.73 52.56 1wr7 s ARG 22 Cb 0.00 -3.54 -0.10 0.00 -0.45 0.00 0.00 34.95 30.86 1wr7 s ARG 22 CO 0.00 -0.66 1.99 -2.30 -0.68 0.00 0.00 175.30 173.65 1wr7 n PRO 23 N 4.87 2.27 -4.42 3.54 -0.02 -1.26 -2.64 135.00 137.34 1wr7 n PRO 23 Ca -0.12 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1wr7 n PRO 23 Cb 0.45 -2.84 -0.13 0.00 -0.02 0.00 0.00 33.50 30.96 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 5.14 2.93 -0.54 6.00 -0.12 0.14 -4.72 117.98 126.82 1wr7 s PHE 24 Ca 0.94 -0.58 -0.20 0.00 -0.05 0.00 0.00 56.93 57.05 1wr7 s PHE 24 Cb -0.57 -1.95 0.07 0.00 -0.63 0.00 0.00 43.02 39.94 1wr7 s PHE 24 CO 0.46 -0.22 0.68 -0.06 -0.05 0.00 0.00 175.22 176.03 1wr7 s PHE 25 N 0.63 3.00 -0.44 3.49 0.08 0.21 -0.44 117.98 124.51 1wr7 s PHE 25 Ca -0.04 -0.61 -0.18 0.00 0.12 0.00 0.00 56.93 56.21 1wr7 s PHE 25 Cb -0.15 -3.72 0.03 0.00 -0.57 0.00 0.00 43.02 38.61 1wr7 s PHE 25 CO 0.03 -1.14 0.52 -1.50 -0.10 0.00 0.00 175.22 173.02 1wr7 s ILE 26 N 2.79 4.99 -0.04 0.64 -1.16 0.20 -1.98 121.20 126.64 1wr7 s ILE 26 Ca 0.15 -0.29 -0.30 0.00 -0.51 0.00 0.00 60.65 59.71 1wr7 s ILE 26 Cb -0.20 -4.13 -0.03 0.00 0.61 0.00 0.00 42.46 38.71 1wr7 s ILE 26 CO 0.11 -0.54 1.08 -0.62 -2.81 0.00 0.00 174.94 172.16 1wr7 s ASP 27 N 2.03 7.20 -0.05 4.50 2.15 0.11 -1.27 116.67 131.35 1wr7 s ASP 27 Ca 0.15 1.71 0.21 0.00 0.43 0.00 0.00 52.55 55.05 1wr7 s ASP 27 Cb -0.17 -2.56 0.69 0.00 -0.30 0.00 0.00 42.92 40.58 1wr7 s ASP 27 CO 0.14 -0.44 1.59 1.41 -0.17 0.00 0.00 175.17 177.70 1wr7 n HIS 28 N 4.60 1.21 -0.13 -5.34 8.25 -0.65 -2.50 115.22 120.66 1wr7 n HIS 28 Ca 0.09 -0.55 -0.27 0.00 -0.26 0.00 0.00 57.72 56.73 1wr7 n HIS 28 Cb 0.48 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.40 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 1.46 1.92 -0.48 0.41 3.02 -1.26 -4.63 115.26 115.70 1wr7 n ASN 29 Ca 0.25 0.33 0.05 0.00 -0.03 0.00 0.00 54.58 55.19 1wr7 n ASN 29 Cb 0.74 -0.80 0.09 0.00 -0.61 0.00 0.00 39.78 39.20 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 -4.25 0.46 -3.16 3.41 -2.24 -1.26 -5.02 114.28 102.22 1wr7 n THR 30 Ca -0.50 -0.73 -0.08 0.00 -2.27 0.00 0.00 64.05 60.48 1wr7 n THR 30 Cb 0.84 0.88 0.04 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.49 -1.80 -4.81 -0.78 4.01 -1.04 -5.05 118.16 109.19 1wr7 n LYS 31 Ca 0.08 1.18 -0.28 0.00 -0.51 0.00 0.00 58.31 58.77 1wr7 n LYS 31 Cb 0.32 -5.81 -0.14 0.00 -0.51 0.00 0.00 35.03 28.89 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 -3.20 1.96 -0.32 -0.18 2.01 -1.07 -4.96 115.64 109.88 1wr7 s THR 32 Ca 0.24 -1.32 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1wr7 s THR 32 Cb -0.03 -1.69 0.09 0.00 0.01 0.00 0.00 72.50 70.89 1wr7 s THR 32 CO 0.74 0.31 0.03 -0.89 -0.69 0.00 0.00 174.62 174.13 1wr7 s THR 33 N -0.80 1.98 0.08 -0.82 2.01 -1.26 0.09 115.64 116.92 1wr7 s THR 33 Ca 0.10 -2.04 0.08 0.00 0.31 0.00 0.00 61.69 60.14 1wr7 s THR 33 Cb -0.10 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1wr7 s THR 33 CO 0.02 -0.52 -0.21 0.28 -0.69 0.00 0.00 174.62 173.51 1wr7 s THR 34 N 1.07 1.68 -0.41 -0.82 -1.32 -0.84 -4.98 115.64 110.03 1wr7 s THR 34 Ca 0.07 -1.38 0.23 0.00 -1.21 0.00 0.00 61.69 59.40 1wr7 s THR 34 Cb -0.19 -1.50 0.01 0.00 -1.51 0.00 0.00 72.50 69.31 1wr7 s THR 34 CO -0.10 0.06 1.14 -0.50 -2.21 0.00 0.00 174.62 173.00 1wr7 h TRP 35 N 4.44 0.00 -3.46 9.09 4.06 -1.86 0.61 115.95 128.83 1wr7 h TRP 35 Ca -0.44 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 59.92 1wr7 h TRP 35 Cb 1.17 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.25 1wr7 h TRP 35 CO 0.56 0.00 0.68 -1.21 -3.56 0.00 0.00 178.44 174.91 1wr7 s GLU 36 N -3.28 3.89 -0.01 0.49 0.41 -1.26 -4.76 118.70 114.18 1wr7 s GLU 36 Ca 0.02 0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 54.98 1wr7 s GLU 36 Cb 0.11 -3.79 -0.07 0.00 -1.78 0.00 0.00 34.13 28.60 1wr7 s GLU 36 CO 0.77 -0.97 1.75 0.34 -0.49 0.00 0.00 175.26 176.67 1wr7 s ASP 37 N 1.87 6.59 -0.00 -0.19 -1.08 -1.26 -4.88 116.67 117.71 1wr7 s ASP 37 Ca 0.40 2.42 0.00 0.00 -0.52 0.00 0.00 52.55 54.85 1wr7 s ASP 37 Cb -0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1wr7 s ASP 37 CO 0.19 -0.96 0.99 -0.81 0.52 0.00 0.00 175.17 175.10 1wr7 n PRO 38 N 7.02 1.00 -0.12 4.34 -0.04 -1.26 -1.63 135.00 144.31 1wr7 n PRO 38 Ca 0.18 -0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 1wr7 n PRO 38 Cb 0.42 -1.01 -0.10 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.48 0.54 -0.00 0.54 5.12 -1.26 -4.52 116.66 116.60 1wr7 n ARG 39 Ca 0.00 0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 55.93 1wr7 n ARG 39 Cb 0.01 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 29.84 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 -0.33 0.84 -1.72 0.55 3.38 -1.96 -3.55 115.31 112.52 1wr7 h LEU 40 Ca -0.55 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 56.87 1wr7 h LEU 40 Cb 1.69 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1wr7 h LEU 40 CO -0.19 1.34 0.00 0.29 0.09 0.00 0.00 178.44 179.97