#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7a n SER 2 N 0.00 -1.34 -1.41 1.61 7.64 -1.24 -4.41 113.62 114.46 1p7a n SER 2 Ca 0.00 -0.82 -0.02 0.00 1.01 0.00 0.00 58.87 59.05 1p7a n SER 2 Cb 0.00 -4.04 0.01 0.00 -1.01 0.00 0.00 64.21 59.17 1p7a n SER 2 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1p7a n THR 3 N -4.30 1.82 -3.28 0.44 -2.24 -1.26 -4.80 114.28 100.66 1p7a n THR 3 Ca -0.28 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 1p7a n THR 3 Cb 0.67 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 67.56 1p7a n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p7a n ARG 4 N 1.13 -1.41 -0.34 -0.78 3.00 -1.26 -3.65 116.66 113.34 1p7a n ARG 4 Ca 0.03 1.23 0.00 0.00 -0.01 0.00 0.00 57.85 59.10 1p7a n ARG 4 Cb 0.52 -4.83 0.00 0.00 0.00 0.00 0.00 32.46 28.15 1p7a n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1p7a n GLY 5 N -1.71 0.81 2.08 -0.13 0.00 -1.26 -4.95 105.19 100.04 1p7a n GLY 5 Ca -0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1p7a n GLY 5 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p7a n SER 6 N 0.31 2.23 -4.54 1.61 7.64 -1.24 -5.01 113.62 114.62 1p7a n SER 6 Ca 0.00 -2.64 -0.41 0.00 1.01 0.00 0.00 58.87 56.83 1p7a n SER 6 Cb 0.00 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1p7a n SER 6 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1p7a s THR 7 N -3.07 3.88 0.00 0.44 -4.23 -1.26 -4.33 115.64 107.07 1p7a s THR 7 Ca 0.35 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1p7a s THR 7 Cb 0.36 -4.92 0.00 0.00 1.34 0.00 0.00 72.50 69.28 1p7a s THR 7 CO -0.05 -1.82 0.00 0.61 -0.54 0.00 0.00 174.62 172.81 1p7a n GLY 8 N 5.77 -1.89 3.85 3.99 0.00 -1.26 -4.85 105.19 110.81 1p7a n GLY 8 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 4.55 0.42 -0.61 1.01 -1.26 -4.95 121.20 120.36 1p7a s ILE 9 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1p7a s ILE 9 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1p7a s ILE 9 CO 0.00 -0.94 0.00 0.29 0.00 0.00 0.00 174.94 174.29 1p7a n LYS 10 N -2.34 -3.06 0.19 2.79 5.02 -1.26 -4.52 118.16 114.97 1p7a n LYS 10 Ca 0.06 2.35 0.14 0.00 -2.02 0.00 0.00 58.31 58.85 1p7a n LYS 10 Cb 0.54 -3.03 0.60 0.00 -0.02 0.00 0.00 35.03 33.12 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 0.41 0.00 -2.97 1.97 0.13 -1.89 -3.37 132.00 126.28 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 0.55 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.28 1p7a h PRO 11 CO 0.00 0.00 -0.74 -0.06 -0.23 0.00 0.00 178.00 176.97 1p7a s PHE 12 N -3.50 1.93 0.31 1.56 0.08 -0.44 -5.03 117.98 112.90 1p7a s PHE 12 Ca 0.02 -2.39 -0.09 0.00 0.12 0.00 0.00 56.93 54.59 1p7a s PHE 12 Cb 0.09 -1.84 -0.06 0.00 -0.57 0.00 0.00 43.02 40.64 1p7a s PHE 12 CO 0.42 -0.78 0.63 -1.14 -0.10 0.00 0.00 175.22 174.24 1p7a s GLN 13 N 0.37 3.75 0.11 0.44 0.74 -1.26 0.25 119.66 124.05 1p7a s GLN 13 Ca 0.18 0.26 -0.31 0.00 0.05 0.00 0.00 55.36 55.54 1p7a s GLN 13 Cb -0.24 -2.56 -0.07 0.00 1.10 0.00 0.00 33.01 31.24 1p7a s GLN 13 CO 0.00 0.16 1.32 0.00 -0.55 0.00 0.00 175.29 176.23 1p7a n PRO 15 N 3.83 0.36 -0.02 0.00 -0.04 -1.26 -1.94 135.00 135.93 1p7a n PRO 15 Ca 0.10 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1p7a n PRO 15 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.25 3.89 -0.08 3.54 2.03 -1.26 -4.40 116.55 119.01 1p7a n ASP 16 Ca 0.11 -0.01 -0.09 0.00 0.52 0.00 0.00 54.79 55.32 1p7a n ASP 16 Cb 0.16 0.48 -0.12 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.70 -3.14 -4.71 0.00 5.68 -0.82 -4.63 116.55 106.23 1p7a n ASP 18 Ca -0.29 0.01 -0.32 0.00 -0.50 0.00 0.00 54.79 53.70 1p7a n ASP 18 Cb 1.00 -0.69 0.13 0.00 -1.14 0.00 0.00 41.12 40.42 1p7a n ASP 18 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1p7a s ARG 19 N -1.06 1.62 -0.02 0.11 0.52 -1.26 -4.66 118.95 114.21 1p7a s ARG 19 Ca 0.00 1.56 0.02 0.00 -0.52 0.00 0.00 55.73 56.79 1p7a s ARG 19 Cb 0.00 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1p7a s ARG 19 CO 0.00 -2.19 -0.06 -1.54 0.02 0.00 0.00 175.30 171.53 1p7a s SER 20 N -2.56 0.85 0.03 0.23 1.04 -1.26 0.34 113.70 112.37 1p7a s SER 20 Ca 0.68 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 57.01 1p7a s SER 20 Cb -0.24 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 1p7a s SER 20 CO 0.53 0.03 -0.08 -0.36 0.98 0.00 0.00 173.24 174.35 1p7a s PHE 21 N 0.23 0.69 -0.86 5.02 0.40 0.14 -4.95 117.98 118.64 1p7a s PHE 21 Ca -0.03 -0.37 0.26 0.00 -0.60 0.00 0.00 56.93 56.19 1p7a s PHE 21 Cb -0.07 -0.42 0.62 0.00 0.51 0.00 0.00 43.02 43.66 1p7a s PHE 21 CO -0.00 -0.05 1.51 0.43 0.70 0.00 0.00 175.22 177.81 1p7a n SER 22 N 1.91 0.50 -4.18 1.36 7.64 -1.26 -1.32 113.62 118.27 1p7a n SER 22 Ca -0.20 0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.49 1p7a n SER 22 Cb 0.56 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.59 1p7a n SER 22 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1p7a s ARG 23 N -3.06 1.90 0.44 1.43 0.52 -1.26 -4.82 118.95 114.10 1p7a s ARG 23 Ca 0.10 -0.69 0.15 0.00 -0.52 0.00 0.00 55.73 54.77 1p7a s ARG 23 Cb 0.16 -1.67 1.00 0.00 0.52 0.00 0.00 34.95 34.96 1p7a s ARG 23 CO 0.67 0.31 1.98 0.66 0.02 0.00 0.00 175.30 178.93 1p7a h SER 24 N 6.09 0.00 -0.69 0.23 4.64 -1.92 -1.11 113.55 120.79 1p7a h SER 24 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1p7a h SER 24 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1p7a h SER 24 CO 0.48 0.20 0.14 -0.78 -0.87 0.00 0.00 176.83 176.00 1p7a h ASP 25 N 0.00 1.06 0.42 4.97 3.58 -1.99 -2.32 116.42 122.13 1p7a h ASP 25 Ca -0.00 -0.25 -0.12 0.00 0.42 0.00 0.00 57.03 57.08 1p7a h ASP 25 Cb 0.37 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1p7a h ASP 25 CO 0.03 1.03 -0.52 0.45 -2.88 0.00 0.00 179.24 177.35 1p7a h HIS 26 N 1.04 0.14 0.53 0.28 3.86 -1.65 -1.12 115.15 118.23 1p7a h HIS 26 Ca 0.21 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1p7a h HIS 26 Cb 0.40 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1p7a h HIS 26 CO 0.03 0.61 -0.47 1.25 0.86 0.00 0.00 177.93 180.21 1p7a h LEU 27 N 0.09 -1.27 -0.90 2.43 5.85 -0.91 -1.78 115.31 118.82 1p7a h LEU 27 Ca 0.00 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1p7a h LEU 27 Cb 0.95 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 1p7a h LEU 27 CO 0.07 -0.64 0.55 0.00 -0.34 0.00 0.00 178.44 178.08 1p7a h ALA 28 N -1.03 1.28 -0.68 1.25 0.00 -1.28 0.23 119.26 119.04 1p7a h ALA 28 Ca -0.07 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1p7a h ALA 28 Cb 0.84 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1p7a h ALA 28 CO -0.02 0.24 0.33 -0.07 0.00 0.00 0.00 179.25 179.73 1p7a h LEU 29 N 0.95 0.44 -0.18 0.00 3.38 -0.89 0.64 115.31 119.65 1p7a h LEU 29 Ca 0.42 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 58.22 1p7a h LEU 29 Cb 0.29 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1p7a h LEU 29 CO -0.21 0.26 -0.86 -0.74 0.09 0.00 0.00 178.44 176.97 1p7a h HIS 30 N 0.58 0.87 0.00 1.13 2.76 -0.53 -3.19 115.15 116.78 1p7a h HIS 30 Ca 0.33 -0.42 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1p7a h HIS 30 Cb 0.34 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1p7a h HIS 30 CO -0.11 1.24 0.00 0.54 -1.30 0.00 0.00 177.93 178.30 1p7a n ARG 31 N -3.86 0.43 0.23 5.26 1.74 0.74 -2.28 116.66 118.93 1p7a n ARG 31 Ca -0.07 0.06 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 1p7a n ARG 31 Cb 0.79 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.00 0.00 5.56 6.56 -0.90 0.12 116.57 127.90 1p7a h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1p7a h LYS 32 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1p7a h LYS 32 CO 0.00 0.21 0.00 0.00 -2.06 0.00 0.00 179.45 177.60 1p7a h ARG 33 N 0.00 0.00 -0.00 3.15 2.47 -1.68 -1.54 114.38 116.77 1p7a h ARG 33 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1p7a h ARG 33 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1p7a h ARG 33 CO 0.03 0.00 -0.23 0.72 0.56 0.00 0.00 179.97 181.05 1p7a n HIS 34 N -2.88 0.00 0.97 3.04 8.25 0.38 -3.14 115.22 121.84 1p7a n HIS 34 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1p7a n HIS 34 Cb 0.38 -0.20 0.32 0.00 1.12 0.00 0.00 29.99 31.60 1p7a n HIS 34 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1p7a n MET 35 N -1.00 0.02 -2.70 -0.41 2.81 -0.58 -3.74 117.12 111.52 1p7a n MET 35 Ca 0.11 0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.75 1p7a n MET 35 Cb 0.32 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 1p7a n MET 35 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1p7a n LEU 36 N -1.54 4.31 -0.19 4.03 4.77 -1.19 -5.12 117.00 122.07 1p7a n LEU 36 Ca 0.06 -5.32 0.02 0.00 -0.03 0.00 0.00 56.01 50.74 1p7a n LEU 36 Cb 0.34 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1p7a n LEU 36 CO 0.34 2.25 0.32 0.55 -1.33 0.00 0.00 177.39 179.52