#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yto n SER 2 N 0.00 -4.30 -4.12 1.61 7.64 -1.26 -4.96 113.62 108.23 2yto n SER 2 Ca 0.00 -0.84 -0.29 0.00 1.01 0.00 0.00 58.87 58.75 2yto n SER 2 Cb 0.00 -3.61 -0.17 0.00 -1.01 0.00 0.00 64.21 59.42 2yto n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yto s SER 3 N -3.35 2.53 0.00 6.43 1.04 -1.26 -5.08 113.70 114.01 2yto s SER 3 Ca 0.66 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2yto s SER 3 Cb -0.34 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2yto s SER 3 CO 0.85 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.77 2yto n GLY 4 N 3.76 3.73 3.28 7.32 0.00 -1.26 -5.18 105.19 116.84 2yto n GLY 4 Ca -0.20 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2yto n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yto s SER 5 N 0.00 -0.25 0.33 1.61 0.01 -1.26 -5.18 113.70 108.96 2yto s SER 5 Ca 0.00 0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.46 2yto s SER 5 Cb 0.00 0.35 -0.07 0.00 0.21 0.00 0.00 66.02 66.52 2yto s SER 5 CO 0.00 -0.50 -0.00 -0.44 0.41 0.00 0.00 173.24 172.71 2yto s SER 6 N -1.41 2.97 1.03 2.44 0.01 -1.26 -5.15 113.70 112.33 2yto s SER 6 Ca -0.12 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.66 2yto s SER 6 Cb -0.04 -0.21 0.23 0.00 0.21 0.00 0.00 66.02 66.21 2yto s SER 6 CO 0.04 -0.46 1.27 -0.83 0.41 0.00 0.00 173.24 173.67 2yto s GLY 7 N -3.54 1.73 0.01 3.44 0.00 -1.26 -5.10 107.32 102.60 2yto s GLY 7 Ca 0.34 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2yto s GLY 7 CO 0.15 -0.33 -0.03 -0.51 0.00 0.00 0.00 173.10 172.38 2yto s THR 8 N -3.65 0.15 -0.08 0.90 -4.23 -1.26 -5.01 115.64 102.46 2yto s THR 8 Ca 0.73 -0.47 0.22 0.00 -1.18 0.00 0.00 61.69 60.99 2yto s THR 8 Cb -0.05 -0.21 0.22 0.00 1.34 0.00 0.00 72.50 73.80 2yto s THR 8 CO 0.54 -0.21 1.64 1.23 -0.54 0.00 0.00 174.62 177.29 2yto h GLY 9 N 5.42 0.00 -0.59 3.99 0.00 -1.98 -2.86 103.07 107.04 2yto h GLY 9 Ca -0.29 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.29 2yto h GLY 9 CO 0.46 0.00 0.18 -2.09 0.00 0.00 0.00 176.54 175.10 2yto h GLU 10 N 0.00 0.14 -6.81 4.80 4.81 -1.98 -3.39 114.58 112.15 2yto h GLU 10 Ca 0.00 -0.01 -0.48 0.00 -0.13 0.00 0.00 59.36 58.74 2yto h GLU 10 Cb 0.14 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2yto h GLU 10 CO 0.00 0.09 0.31 0.15 -0.73 0.00 0.00 179.01 178.83 2yto s LYS 11 N -5.94 4.56 0.26 1.92 1.02 -1.08 -4.97 119.74 115.50 2yto s LYS 11 Ca -0.12 1.27 0.03 0.00 0.02 0.00 0.00 55.97 57.17 2yto s LYS 11 Cb 0.27 -2.88 0.33 0.00 -0.52 0.00 0.00 37.83 35.03 2yto s LYS 11 CO 0.77 0.33 1.63 -1.00 -0.92 0.00 0.00 175.35 176.17 2yto h PRO 12 N 3.35 0.35 -5.84 -1.68 0.13 -1.77 -3.44 132.00 123.10 2yto h PRO 12 Ca -0.47 -0.18 -0.64 0.00 -0.87 0.00 0.00 66.00 63.84 2yto h PRO 12 Cb 1.19 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2yto h PRO 12 CO 0.65 0.74 -0.33 0.71 -0.23 0.00 0.00 178.00 179.53 2yto s TYR 13 N -4.09 3.67 -0.30 1.56 2.02 -1.26 -5.06 117.35 113.89 2yto s TYR 13 Ca -0.05 0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 57.39 2yto s TYR 13 Cb 0.13 -2.12 0.19 0.00 -0.40 0.00 0.00 41.96 39.76 2yto s TYR 13 CO 0.79 0.69 0.70 0.21 -1.57 0.00 0.00 175.55 176.37 2yto s LYS 14 N -1.08 0.48 0.53 -0.62 2.47 -1.26 -3.28 119.74 116.98 2yto s LYS 14 Ca 0.20 0.75 -0.19 0.00 -1.56 0.00 0.00 55.97 55.17 2yto s LYS 14 Cb -0.14 0.41 -0.06 0.00 -1.46 0.00 0.00 37.83 36.57 2yto s LYS 14 CO 0.09 -0.62 1.10 0.00 0.16 0.00 0.00 175.35 176.08 2yto n SER 16 N -1.26 3.31 0.05 0.00 3.41 -1.26 -3.40 113.62 114.47 2yto n SER 16 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.61 2yto n SER 16 Cb 0.52 1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 65.42 2yto n SER 16 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2yto h ASP 17 N 0.00 -0.22 0.00 4.04 3.32 -1.98 -3.37 116.42 118.21 2yto h ASP 17 Ca -0.09 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 2yto h ASP 17 Cb 0.87 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 2yto h ASP 17 CO 0.01 -0.11 -1.75 0.00 -1.72 0.00 0.00 179.24 175.67 2yto n GLY 19 N 2.73 0.68 3.37 0.00 0.00 -1.24 -5.12 105.19 105.62 2yto n GLY 19 Ca -0.24 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 2yto n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yto s LYS 20 N -0.98 1.56 0.15 1.61 1.02 -1.22 -4.86 119.74 117.02 2yto s LYS 20 Ca 0.00 -1.87 -0.00 0.00 0.02 0.00 0.00 55.97 54.11 2yto s LYS 20 Cb 0.00 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 2yto s LYS 20 CO 0.00 -0.32 0.06 0.00 -0.92 0.00 0.00 175.35 174.17 2yto s ALA 21 N -3.56 1.04 0.23 5.17 0.00 -1.26 0.42 121.76 123.79 2yto s ALA 21 Ca 0.36 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 2yto s ALA 21 Cb 0.07 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 2yto s ALA 21 CO 0.15 -0.47 0.40 -0.06 0.00 0.00 0.00 175.76 175.77 2yto s PHE 22 N -3.98 0.52 -0.11 0.00 0.40 -1.21 -4.97 117.98 108.64 2yto s PHE 22 Ca 0.27 -0.86 0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2yto s PHE 22 Cb 0.07 0.02 -0.15 0.00 0.51 0.00 0.00 43.02 43.47 2yto s PHE 22 CO 0.04 -0.90 0.06 2.41 0.70 0.00 0.00 175.22 177.53 2yto n THR 23 N -0.35 0.77 -4.28 0.64 -1.04 -1.26 -4.04 114.28 104.73 2yto n THR 23 Ca -0.01 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.22 2yto n THR 23 Cb 0.63 -0.61 -0.09 0.00 -1.82 0.00 0.00 70.33 68.43 2yto n THR 23 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2yto s ARG 24 N -2.34 2.05 0.18 -2.82 1.81 -1.26 -4.93 118.95 111.64 2yto s ARG 24 Ca -0.06 -1.23 -0.13 0.00 -1.72 0.00 0.00 55.73 52.59 2yto s ARG 24 Cb 0.04 -2.17 0.12 0.00 -0.45 0.00 0.00 34.95 32.49 2yto s ARG 24 CO 0.50 0.45 1.80 -0.22 -0.68 0.00 0.00 175.30 177.14 2yto h LYS 25 N 3.04 0.53 -0.49 3.54 1.63 -2.01 -2.49 116.57 120.32 2yto h LYS 25 Ca -0.47 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.33 2yto h LYS 25 Cb 1.20 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 2yto h LYS 25 CO 0.53 0.35 0.27 0.66 -3.45 0.00 0.00 179.45 177.82 2yto h SER 26 N 0.55 0.42 -1.15 4.20 4.64 -1.98 -0.73 113.55 119.49 2yto h SER 26 Ca 0.22 0.02 0.33 0.00 -0.47 0.00 0.00 61.79 61.88 2yto h SER 26 Cb 0.09 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 62.01 2yto h SER 26 CO -0.13 0.29 0.74 1.23 -0.87 0.00 0.00 176.83 178.09 2yto h GLY 27 N 0.54 1.19 0.31 -0.77 0.00 -1.86 -0.88 103.07 101.60 2yto h GLY 27 Ca 0.21 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 2yto h GLY 27 CO -0.12 -0.23 -1.21 -2.00 0.00 0.00 0.00 176.54 172.98 2yto h LEU 28 N 0.26 0.21 -0.42 3.11 5.85 -1.35 -3.25 115.31 119.72 2yto h LEU 28 Ca 0.67 -0.77 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2yto h LEU 28 Cb 1.93 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.80 2yto h LEU 28 CO -0.33 1.51 -0.46 0.45 -0.34 0.00 0.00 178.44 179.27 2yto h HIS 29 N -0.59 -1.36 -0.93 1.25 3.86 0.08 0.29 115.15 117.74 2yto h HIS 29 Ca -0.28 0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.05 2yto h HIS 29 Cb 1.53 0.65 -0.06 0.00 1.06 0.00 0.00 27.41 30.60 2yto h HIS 29 CO 0.13 -0.45 0.61 0.82 0.86 0.00 0.00 177.93 179.90 2yto h ILE 30 N -0.34 1.11 -0.64 2.45 2.04 -1.40 -1.97 117.51 118.75 2yto h ILE 30 Ca 0.13 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2yto h ILE 30 Cb 0.59 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2yto h ILE 30 CO -0.59 0.20 0.30 -0.74 0.00 0.00 0.00 178.15 177.33 2yto h HIS 31 N 1.11 0.93 -0.02 1.37 2.76 -0.96 -3.01 115.15 117.33 2yto h HIS 31 Ca 0.39 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.54 2yto h HIS 31 Cb 0.12 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 2yto h HIS 31 CO -0.00 0.70 -0.13 1.96 -1.30 0.00 0.00 177.93 179.16 2yto h GLN 32 N 0.88 -0.20 -0.84 5.26 1.08 0.22 -2.65 115.11 118.87 2yto h GLN 32 Ca 0.22 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.59 2yto h GLN 32 Cb 0.13 0.05 -0.15 0.00 -0.05 0.00 0.00 27.48 27.45 2yto h GLN 32 CO -0.03 -0.13 -0.26 1.96 -0.95 0.00 0.00 178.83 179.41 2yto h GLN 33 N -0.21 -0.03 -0.61 1.46 1.08 -1.35 -0.55 115.11 114.91 2yto h GLN 33 Ca 0.05 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2yto h GLN 33 Cb 0.28 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.62 2yto h GLN 33 CO -0.14 -0.02 -0.54 0.77 -0.95 0.00 0.00 178.83 177.95 2yto h SER 34 N -0.03 -1.85 -0.53 1.46 0.02 -1.46 -1.10 113.55 110.05 2yto h SER 34 Ca 0.37 0.27 0.09 0.00 -0.84 0.00 0.00 61.79 61.68 2yto h SER 34 Cb 0.61 0.80 -0.10 0.00 0.14 0.00 0.00 62.40 63.84 2yto h SER 34 CO -0.87 -0.34 -0.40 0.45 -1.14 0.00 0.00 176.83 174.53 2yto h HIS 35 N -0.25 -1.15 -3.40 3.45 3.86 -1.12 -3.42 115.15 113.11 2yto h HIS 35 Ca 0.12 0.07 -0.56 0.00 -1.16 0.00 0.00 60.37 58.85 2yto h HIS 35 Cb 0.54 0.58 0.18 0.00 1.06 0.00 0.00 27.41 29.78 2yto h HIS 35 CO -0.80 -0.41 -0.22 2.41 0.86 0.00 0.00 177.93 179.77 2yto n THR 36 N -5.42 2.15 0.00 2.45 -1.04 -0.42 -4.48 114.28 107.53 2yto n THR 36 Ca 0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2yto n THR 36 Cb 0.35 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 2yto n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yto n GLY 37 N 1.45 0.76 2.79 3.41 0.00 -1.26 -4.85 105.19 107.50 2yto n GLY 37 Ca 0.11 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2yto n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yto s GLU 38 N 0.00 0.93 -0.30 1.61 2.12 -1.26 -5.09 118.70 116.71 2yto s GLU 38 Ca 0.00 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 2yto s GLU 38 Cb 0.00 -2.23 0.16 0.00 0.26 0.00 0.00 34.13 32.32 2yto s GLU 38 CO 0.00 -0.69 0.62 0.50 -0.54 0.00 0.00 175.26 175.15 2yto s ARG 39 N 1.69 0.57 -0.37 4.30 3.00 -1.26 -5.11 118.95 121.76 2yto s ARG 39 Ca -0.00 1.24 -0.37 0.00 -1.00 0.00 0.00 55.73 55.60 2yto s ARG 39 Cb -0.18 0.71 -0.13 0.00 0.00 0.00 0.00 34.95 35.35 2yto s ARG 39 CO -0.11 -0.39 2.16 -2.39 0.00 0.00 0.00 175.30 174.57 2yto n HIS 40 N 5.44 1.54 -3.48 5.12 1.44 -1.26 -4.87 115.22 119.15 2yto n HIS 40 Ca -0.07 0.38 -0.40 0.00 -2.01 0.00 0.00 57.72 55.62 2yto n HIS 40 Cb 0.50 -2.49 -0.03 0.00 0.12 0.00 0.00 29.99 28.09 2yto n HIS 40 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2yto n SER 41 N 9.22 4.86 -0.74 4.39 2.88 -1.26 -4.68 113.62 128.29 2yto n SER 41 Ca 0.43 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 2yto n SER 41 Cb 0.18 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 2yto n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yto n GLY 42 N 2.39 0.47 3.55 0.46 0.00 -1.26 -4.98 105.19 105.82 2yto n GLY 42 Ca 0.23 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2yto n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yto s PRO 43 N -2.49 2.62 -1.47 1.61 0.04 -1.26 -2.97 135.00 131.07 2yto s PRO 43 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2yto s PRO 43 Cb 0.00 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2yto s PRO 43 CO 0.00 -2.82 0.00 0.43 0.04 0.00 0.00 177.00 174.65 2yto n SER 44 N 12.92 -4.85 -4.05 6.66 7.64 -1.26 -4.99 113.62 125.70 2yto n SER 44 Ca 0.23 0.09 -0.31 0.00 1.01 0.00 0.00 58.87 59.89 2yto n SER 44 Cb 0.51 -3.91 -0.16 0.00 -1.01 0.00 0.00 64.21 59.64 2yto n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yto s SER 45 N -2.42 3.30 0.00 6.43 0.15 -1.16 -5.30 113.70 114.71 2yto s SER 45 Ca 0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2yto s SER 45 Cb 0.00 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2yto s SER 45 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96