#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7a s SER 2 N 0.00 7.02 -1.22 1.61 0.01 -1.26 -3.96 113.70 115.90 1p7a s SER 2 Ca 0.00 1.81 -0.00 0.00 1.31 0.00 0.00 55.95 59.06 1p7a s SER 2 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1p7a s SER 2 CO 0.00 -0.30 0.98 0.41 0.41 0.00 0.00 173.24 174.74 1p7a n THR 3 N -0.14 -5.71 -3.57 1.44 -1.04 -1.19 -4.98 114.28 99.08 1p7a n THR 3 Ca 0.05 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.05 61.21 1p7a n THR 3 Cb 0.52 -4.83 -0.06 0.00 -1.82 0.00 0.00 70.33 64.14 1p7a n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p7a s ARG 4 N -5.47 4.00 3.43 -2.82 1.04 -0.90 -4.87 118.95 113.36 1p7a s ARG 4 Ca 0.03 0.19 0.00 0.00 -1.04 0.00 0.00 55.73 54.91 1p7a s ARG 4 Cb -0.01 -3.31 0.00 0.00 -2.04 0.00 0.00 34.95 29.58 1p7a s ARG 4 CO 0.74 0.48 0.00 0.41 -0.04 0.00 0.00 175.30 176.89 1p7a n GLY 5 N 2.59 0.38 0.04 3.88 0.00 -1.26 -0.74 105.19 110.08 1p7a n GLY 5 Ca -0.14 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1p7a n GLY 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p7a n SER 6 N 6.58 0.69 -4.33 1.61 3.41 -1.26 -4.96 113.62 115.35 1p7a n SER 6 Ca 0.00 -1.45 -0.46 0.00 -0.26 0.00 0.00 58.87 56.70 1p7a n SER 6 Cb 0.00 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1p7a n SER 6 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1p7a s THR 7 N -0.41 5.28 0.00 6.66 -4.23 0.08 -4.34 115.64 118.69 1p7a s THR 7 Ca 0.01 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1p7a s THR 7 Cb 0.01 -4.42 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1p7a s THR 7 CO 0.00 -0.98 0.00 0.61 -0.54 0.00 0.00 174.62 173.71 1p7a n GLY 8 N 4.82 0.23 3.83 3.99 0.00 -1.00 -2.12 105.19 114.94 1p7a n GLY 8 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1p7a n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p7a s ILE 9 N -0.37 3.28 0.26 -0.61 1.01 -1.22 -4.81 121.20 118.73 1p7a s ILE 9 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1p7a s ILE 9 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1p7a s ILE 9 CO 0.00 -0.54 0.00 0.29 0.00 0.00 0.00 174.94 174.69 1p7a n LYS 10 N -3.27 -1.92 0.27 2.79 5.02 -1.26 -4.21 118.16 115.58 1p7a n LYS 10 Ca 0.07 1.47 0.18 0.00 -2.02 0.00 0.00 58.31 58.02 1p7a n LYS 10 Cb 0.56 -1.79 0.93 0.00 -0.02 0.00 0.00 35.03 34.72 1p7a n LYS 10 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1p7a h PRO 11 N 0.28 0.00 -2.89 1.97 0.13 -1.91 -3.30 132.00 126.28 1p7a h PRO 11 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1p7a h PRO 11 Cb 0.31 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.02 1p7a h PRO 11 CO 0.00 0.00 -0.63 1.19 -0.23 0.00 0.00 178.00 178.33 1p7a n PHE 12 N -2.83 2.73 -3.48 1.56 3.72 -1.13 -5.06 117.46 112.96 1p7a n PHE 12 Ca -0.02 -4.16 -0.27 0.00 -0.05 0.00 0.00 57.45 52.95 1p7a n PHE 12 Cb 0.12 -0.51 -0.03 0.00 -0.94 0.00 0.00 39.48 38.12 1p7a n PHE 12 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1p7a s GLN 13 N -1.39 3.54 0.05 -1.08 0.00 -1.24 -1.18 119.66 118.36 1p7a s GLN 13 Ca 0.28 -0.23 -0.31 0.00 -0.00 0.00 0.00 55.36 55.10 1p7a s GLN 13 Cb -0.01 -2.72 -0.07 0.00 0.00 0.00 0.00 33.01 30.21 1p7a s GLN 13 CO -0.16 0.26 1.54 0.00 0.00 0.00 0.00 175.29 176.93 1p7a n PRO 15 N 5.28 0.40 -0.04 0.00 -0.04 -1.26 0.12 135.00 139.46 1p7a n PRO 15 Ca 0.14 0.07 -0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1p7a n PRO 15 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1p7a n PRO 15 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1p7a n ASP 16 N -1.16 3.21 -0.06 3.54 2.03 -1.26 -4.79 116.55 118.05 1p7a n ASP 16 Ca 0.11 -0.02 -0.07 0.00 0.52 0.00 0.00 54.79 55.34 1p7a n ASP 16 Cb 0.11 0.43 -0.09 0.00 -0.72 0.00 0.00 41.12 40.85 1p7a n ASP 16 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p7a n ASP 18 N -2.55 -2.10 -1.85 0.00 8.00 0.12 -4.95 116.55 113.21 1p7a n ASP 18 Ca -0.21 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1p7a n ASP 18 Cb 0.88 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1p7a n ASP 18 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p7a n ARG 19 N -1.69 3.34 -3.65 -1.24 1.74 -1.25 -2.36 116.66 111.54 1p7a n ARG 19 Ca -0.06 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.98 1p7a n ARG 19 Cb 0.54 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.91 1p7a n ARG 19 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1p7a s SER 20 N -1.00 -0.85 -0.02 0.55 1.04 -1.26 -3.40 113.70 108.76 1p7a s SER 20 Ca 0.00 1.38 0.01 0.00 0.48 0.00 0.00 55.95 57.81 1p7a s SER 20 Cb 0.00 1.82 0.01 0.00 0.10 0.00 0.00 66.02 67.95 1p7a s SER 20 CO 0.00 -0.22 -0.01 -0.36 0.98 0.00 0.00 173.24 173.62 1p7a s PHE 21 N 2.52 0.28 -0.33 5.02 0.40 -0.33 -4.97 117.98 120.58 1p7a s PHE 21 Ca -0.06 -0.02 0.22 0.00 -0.60 0.00 0.00 56.93 56.47 1p7a s PHE 21 Cb -0.11 -0.29 0.19 0.00 0.51 0.00 0.00 43.02 43.32 1p7a s PHE 21 CO -0.17 -0.07 1.39 0.66 0.70 0.00 0.00 175.22 177.73 1p7a h SER 22 N 6.70 0.00 -3.41 1.36 4.64 -1.94 -3.00 113.55 117.89 1p7a h SER 22 Ca -0.35 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.31 1p7a h SER 22 Cb 1.16 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 1p7a h SER 22 CO 0.49 0.08 -0.66 -0.13 -0.87 0.00 0.00 176.83 175.74 1p7a s ARG 23 N -3.21 3.24 0.48 4.77 0.52 -1.26 -4.85 118.95 118.65 1p7a s ARG 23 Ca 0.04 -0.50 0.19 0.00 -0.52 0.00 0.00 55.73 54.94 1p7a s ARG 23 Cb 0.07 -2.79 1.20 0.00 0.52 0.00 0.00 34.95 33.94 1p7a s ARG 23 CO 0.72 0.48 2.05 1.03 0.02 0.00 0.00 175.30 179.59 1p7a h SER 24 N 5.91 0.00 -0.20 0.23 0.87 -1.92 -1.42 113.55 117.01 1p7a h SER 24 Ca -0.41 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1p7a h SER 24 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1p7a h SER 24 CO 0.58 0.14 0.08 -0.78 -0.53 0.00 0.00 176.83 176.31 1p7a h ASP 25 N 0.00 0.28 -0.85 6.23 3.58 -1.98 -1.89 116.42 121.79 1p7a h ASP 25 Ca -0.00 -0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.29 1p7a h ASP 25 Cb 0.27 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1p7a h ASP 25 CO 0.02 0.39 0.56 0.45 -2.88 0.00 0.00 179.24 177.78 1p7a h HIS 26 N 0.17 1.06 0.52 0.28 3.86 -1.70 -0.46 115.15 118.88 1p7a h HIS 26 Ca 0.07 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1p7a h HIS 26 Cb 0.19 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1p7a h HIS 26 CO -0.01 0.65 -0.49 1.25 0.86 0.00 0.00 177.93 180.19 1p7a h LEU 27 N 1.13 -1.34 -1.29 2.43 5.85 -1.02 -2.47 115.31 118.60 1p7a h LEU 27 Ca 0.32 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.26 1p7a h LEU 27 Cb -0.10 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1p7a h LEU 27 CO -0.08 -0.66 0.55 0.00 -0.34 0.00 0.00 178.44 177.92 1p7a h ALA 28 N -0.96 1.76 -0.55 1.25 0.00 -0.84 -0.36 119.26 119.56 1p7a h ALA 28 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p7a h ALA 28 Cb 0.86 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1p7a h ALA 28 CO -0.04 0.04 0.33 -0.07 0.00 0.00 0.00 179.25 179.51 1p7a h LEU 29 N 0.75 0.54 -0.48 0.00 3.38 -0.75 -1.87 115.31 116.88 1p7a h LEU 29 Ca 0.41 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.22 1p7a h LEU 29 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1p7a h LEU 29 CO -0.17 0.38 -0.58 -0.74 0.09 0.00 0.00 178.44 177.41 1p7a h HIS 30 N 0.66 0.71 0.00 1.13 -0.00 -0.87 -3.03 115.15 113.74 1p7a h HIS 30 Ca 0.22 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1p7a h HIS 30 Cb 0.03 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1p7a h HIS 30 CO -0.06 1.01 0.00 0.54 -0.00 0.00 0.00 177.93 179.41 1p7a n ARG 31 N -3.95 0.75 -0.33 5.26 1.74 -0.23 -3.42 116.66 116.49 1p7a n ARG 31 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1p7a n ARG 31 Cb 0.62 -1.38 0.17 0.00 -1.02 0.00 0.00 32.46 30.85 1p7a n ARG 31 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1p7a h LYS 32 N 0.00 1.17 -0.11 5.56 6.56 -1.24 -0.28 116.57 128.23 1p7a h LYS 32 Ca 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1p7a h LYS 32 Cb 0.00 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.40 1p7a h LYS 32 CO 0.00 0.77 0.00 -2.13 -2.06 0.00 0.00 179.45 176.03 1p7a n ARG 33 N -4.43 1.33 0.00 3.15 0.63 -1.22 -3.11 116.66 113.01 1p7a n ARG 33 Ca 0.12 -0.50 0.13 0.00 -0.92 0.00 0.00 57.85 56.68 1p7a n ARG 33 Cb 0.07 -1.24 0.35 0.00 0.45 0.00 0.00 32.46 32.10 1p7a n ARG 33 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1p7a n HIS 34 N -0.20 0.00 0.03 -0.14 8.25 -0.12 -3.56 115.22 119.48 1p7a n HIS 34 Ca 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 1p7a n HIS 34 Cb 0.15 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 1p7a n HIS 34 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1p7a h MET 35 N 3.19 -0.16 -2.75 -0.41 2.86 -1.63 -3.43 114.93 112.58 1p7a h MET 35 Ca 0.00 0.01 -0.43 0.00 -2.06 0.00 0.00 59.70 57.22 1p7a h MET 35 Cb 0.69 0.04 -0.39 0.00 0.06 0.00 0.00 31.60 32.00 1p7a h MET 35 CO 0.00 0.28 -0.72 -1.17 1.06 0.00 0.00 176.91 176.37 1p7a s LEU 36 N -8.82 0.23 0.00 1.22 2.96 -1.26 -5.20 118.68 107.80 1p7a s LEU 36 Ca -0.12 -0.73 0.28 0.00 -0.22 0.00 0.00 54.13 53.34 1p7a s LEU 36 Cb -0.00 -0.04 0.98 0.00 0.50 0.00 0.00 46.19 47.62 1p7a s LEU 36 CO 0.43 -0.37 1.70 0.55 -1.32 0.00 0.00 176.35 177.34