#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yto s SER 2 N 0.00 5.49 -0.38 1.61 0.15 -1.26 -5.06 113.70 114.24 2yto s SER 2 Ca 0.00 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.32 2yto s SER 2 Cb 0.00 -1.97 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 2yto s SER 2 CO 0.00 0.06 1.03 -0.44 1.20 0.00 0.00 173.24 175.08 2yto s SER 3 N 1.08 6.75 0.00 5.45 0.01 -1.26 -4.59 113.70 121.14 2yto s SER 3 Ca 0.05 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2yto s SER 3 Cb -0.14 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2yto s SER 3 CO 0.03 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2yto n GLY 4 N 4.33 0.90 0.07 3.44 0.00 -1.26 -5.07 105.19 107.60 2yto n GLY 4 Ca 0.10 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 2yto n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yto h SER 5 N 0.00 0.00 -3.33 1.61 4.64 -2.01 -3.46 113.55 111.00 2yto h SER 5 Ca 0.00 -0.64 -0.66 0.00 -0.47 0.00 0.00 61.79 60.02 2yto h SER 5 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 2yto h SER 5 CO 0.00 0.97 -0.78 -0.94 -0.87 0.00 0.00 176.83 175.21 2yto s SER 6 N -6.17 3.88 0.00 4.97 1.04 -1.26 -4.77 113.70 111.38 2yto s SER 6 Ca -0.17 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2yto s SER 6 Cb -0.00 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2yto s SER 6 CO 0.50 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.50 2yto n GLY 7 N 3.50 2.46 3.55 7.32 0.00 -1.26 -5.07 105.19 115.69 2yto n GLY 7 Ca -0.18 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2yto n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yto s THR 8 N 0.00 3.40 0.00 2.61 2.01 -1.26 -3.74 115.64 118.67 2yto s THR 8 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2yto s THR 8 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2yto s THR 8 CO 0.00 -0.96 0.00 0.61 -0.69 0.00 0.00 174.62 173.58 2yto n GLY 9 N 6.15 0.54 3.06 4.40 0.00 -1.26 -5.07 105.19 113.01 2yto n GLY 9 Ca 0.28 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2yto n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yto s GLU 10 N -2.12 2.37 0.07 1.61 2.02 -1.24 -5.08 118.70 116.32 2yto s GLU 10 Ca 0.00 -2.51 0.01 0.00 0.02 0.00 0.00 54.97 52.50 2yto s GLU 10 Cb 0.00 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 2yto s GLU 10 CO 0.00 -1.15 0.16 0.15 0.02 0.00 0.00 175.26 174.44 2yto s LYS 11 N -0.04 3.22 0.48 1.61 -0.14 -1.26 -5.01 119.74 118.59 2yto s LYS 11 Ca 0.16 -0.55 0.26 0.00 -1.36 0.00 0.00 55.97 54.49 2yto s LYS 11 Cb -0.22 -2.91 1.11 0.00 -1.68 0.00 0.00 37.83 34.13 2yto s LYS 11 CO -0.03 0.59 1.91 -1.00 -0.76 0.00 0.00 175.35 176.06 2yto h PRO 12 N 3.11 0.00 -5.05 -1.68 0.13 -1.86 -3.44 132.00 123.22 2yto h PRO 12 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 2yto h PRO 12 Cb 1.16 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.05 2yto h PRO 12 CO 0.72 0.17 -0.78 0.71 -0.23 0.00 0.00 178.00 178.59 2yto s TYR 13 N -3.77 1.02 -0.00 1.56 2.02 -1.23 -5.08 117.35 111.86 2yto s TYR 13 Ca -0.00 -0.35 -0.28 0.00 -0.37 0.00 0.00 57.07 56.07 2yto s TYR 13 Cb 0.11 -0.61 0.09 0.00 -0.40 0.00 0.00 41.96 41.15 2yto s TYR 13 CO 0.61 0.01 0.79 0.21 -1.57 0.00 0.00 175.55 175.60 2yto s LYS 14 N -1.12 0.94 -0.12 -0.62 2.20 -1.26 -0.89 119.74 118.89 2yto s LYS 14 Ca -0.01 -0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.41 2yto s LYS 14 Cb -0.08 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 2yto s LYS 14 CO 0.01 -0.37 0.11 0.00 -0.36 0.00 0.00 175.35 174.74 2yto n SER 16 N 2.08 0.67 -0.15 0.00 7.64 -1.26 -2.40 113.62 120.19 2yto n SER 16 Ca -0.20 0.11 -0.07 0.00 1.01 0.00 0.00 58.87 59.72 2yto n SER 16 Cb 0.55 0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 64.11 2yto n SER 16 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2yto h ASP 17 N 0.01 -1.17 0.00 6.43 1.82 -1.99 -3.34 116.42 118.18 2yto h ASP 17 Ca -0.47 0.21 -0.24 0.00 -0.39 0.00 0.00 57.03 56.14 2yto h ASP 17 Cb 2.12 0.55 -0.04 0.00 0.68 0.00 0.00 39.33 42.65 2yto h ASP 17 CO 0.03 -0.32 -1.83 0.00 -1.61 0.00 0.00 179.24 175.50 2yto n GLY 19 N 2.39 0.65 3.12 0.00 0.00 -1.01 -5.10 105.19 105.23 2yto n GLY 19 Ca -0.28 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.19 2.78 0.09 1.61 1.02 -1.13 -4.91 119.74 119.02 2yto s LYS 20 Ca 0.00 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.06 2yto s LYS 20 Cb 0.00 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 2yto s LYS 20 CO 0.00 -0.10 0.55 0.00 -0.92 0.00 0.00 175.35 174.88 2yto s ALA 21 N 1.05 3.59 0.22 5.17 0.00 -1.26 -0.03 121.76 130.50 2yto s ALA 21 Ca -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 51.94 2yto s ALA 21 Cb -0.14 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2yto s ALA 21 CO -0.06 0.43 -0.06 -0.06 0.00 0.00 0.00 175.76 176.01 2yto s PHE 22 N -1.24 1.64 -0.18 0.00 0.08 -0.06 -4.95 117.98 113.27 2yto s PHE 22 Ca 0.32 -0.77 -0.05 0.00 0.12 0.00 0.00 56.93 56.55 2yto s PHE 22 Cb -0.18 -0.90 -0.22 0.00 -0.57 0.00 0.00 43.02 41.16 2yto s PHE 22 CO 0.18 0.14 0.12 2.41 -0.10 0.00 0.00 175.22 177.98 2yto n THR 23 N -0.42 1.66 -4.19 0.64 -1.04 -1.26 -3.54 114.28 106.13 2yto n THR 23 Ca -0.07 -0.57 -0.24 0.00 -2.04 0.00 0.00 64.05 61.13 2yto n THR 23 Cb 0.62 -1.66 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 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 -2.53 2.61 0.24 -2.82 0.52 -1.26 -4.73 118.95 110.98 2yto s ARG 24 Ca -0.28 -1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 53.72 2yto s ARG 24 Cb 0.08 -2.40 0.28 0.00 0.52 0.00 0.00 34.95 33.42 2yto s ARG 24 CO 0.69 0.41 1.90 0.87 0.02 0.00 0.00 175.30 179.20 2yto h LYS 25 N 2.01 1.19 0.29 3.54 1.79 -1.99 -3.05 116.57 120.35 2yto h LYS 25 Ca -0.47 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2yto h LYS 25 Cb 1.23 -0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2yto h LYS 25 CO 0.60 0.79 -0.42 1.03 -1.08 0.00 0.00 179.45 180.37 2yto h SER 26 N 1.23 -1.20 -1.26 0.86 0.87 -1.98 0.11 113.55 112.18 2yto h SER 26 Ca 0.37 0.11 0.42 0.00 -1.23 0.00 0.00 61.79 61.45 2yto h SER 26 Cb -0.05 0.41 -0.11 0.00 -0.44 0.00 0.00 62.40 62.21 2yto h SER 26 CO -0.10 -0.51 0.84 0.61 -0.53 0.00 0.00 176.83 177.13 2yto n GLY 27 N -1.43 -0.73 0.13 5.77 0.00 -1.15 0.19 105.19 107.96 2yto n GLY 27 Ca -0.09 0.63 -0.19 0.00 0.00 0.00 0.00 46.02 46.37 2yto n GLY 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yto h LEU 28 N 0.00 0.44 0.51 0.99 5.85 -1.35 -3.15 115.31 118.60 2yto h LEU 28 Ca 0.75 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2yto h LEU 28 Cb 2.55 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 43.42 2yto h LEU 28 CO -0.32 1.64 -0.48 0.45 -0.34 0.00 0.00 178.44 179.39 2yto h HIS 29 N 0.08 -1.34 0.41 1.25 3.86 0.46 0.14 115.15 120.01 2yto h HIS 29 Ca -0.33 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 2yto h HIS 29 Cb 2.05 0.51 -0.00 0.00 1.06 0.00 0.00 27.41 31.03 2yto h HIS 29 CO 0.08 -0.65 -0.24 0.82 0.86 0.00 0.00 177.93 178.79 2yto h ILE 30 N -0.99 0.50 -0.60 2.45 5.03 -1.46 -2.91 117.51 119.53 2yto h ILE 30 Ca -0.07 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.79 2yto h ILE 30 Cb 0.85 0.50 -0.12 0.00 -3.03 0.00 0.00 36.82 35.02 2yto h ILE 30 CO -0.04 0.00 -0.17 -0.74 -0.68 0.00 0.00 178.15 176.52 2yto h HIS 31 N -0.62 -0.37 -0.89 1.37 -0.00 -1.50 0.89 115.15 114.03 2yto h HIS 31 Ca -0.05 0.06 0.23 0.00 -0.00 0.00 0.00 60.37 60.61 2yto h HIS 31 Cb 0.50 0.26 -0.13 0.00 -0.00 0.00 0.00 27.41 28.04 2yto h HIS 31 CO -0.09 -0.27 0.35 1.96 -0.00 0.00 0.00 177.93 179.87 2yto h GLN 32 N -0.02 0.32 -0.88 5.26 4.20 -0.52 0.48 115.11 123.96 2yto h GLN 32 Ca 0.29 -0.02 0.22 0.00 0.06 0.00 0.00 58.65 59.20 2yto h GLN 32 Cb 0.46 -0.07 -0.16 0.00 0.30 0.00 0.00 27.48 28.01 2yto h GLN 32 CO -0.63 0.21 0.04 1.96 -0.67 0.00 0.00 178.83 179.74 2yto h GLN 33 N 0.33 0.08 -1.01 1.46 1.08 -0.69 0.61 115.11 116.96 2yto h GLN 33 Ca 0.56 -0.00 0.24 0.00 -1.45 0.00 0.00 58.65 58.00 2yto h GLN 33 Cb 1.11 -0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.40 2yto h GLN 33 CO -0.57 0.05 0.60 0.77 -0.95 0.00 0.00 178.83 178.73 2yto h SER 34 N 0.08 0.66 -1.04 1.46 0.02 -0.96 -2.87 113.55 110.90 2yto h SER 34 Ca 0.51 0.13 -0.74 0.00 -0.84 0.00 0.00 61.79 60.85 2yto h SER 34 Cb 0.98 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.42 2yto h SER 34 CO -0.78 0.12 2.29 1.41 -1.14 0.00 0.00 176.83 178.73 2yto n HIS 35 N -4.85 3.18 -3.79 3.45 8.25 0.21 -4.88 115.22 116.80 2yto n HIS 35 Ca 0.26 -2.86 -0.28 0.00 -0.26 0.00 0.00 57.72 54.58 2yto n HIS 35 Cb 0.74 -2.12 -0.16 0.00 1.12 0.00 0.00 29.99 29.57 2yto n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yto s THR 36 N 1.20 0.81 0.14 1.59 -4.23 -1.09 -5.02 115.64 109.04 2yto s THR 36 Ca 0.42 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2yto s THR 36 Cb 0.10 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.67 2yto s THR 36 CO -0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2yto n GLY 37 N 4.94 -2.28 2.95 3.99 0.00 -1.26 -4.88 105.19 108.65 2yto n GLY 37 Ca -0.09 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.55 1.57 -0.76 1.61 -6.30 -1.26 -5.07 118.70 105.95 2yto s GLU 38 Ca 0.00 -1.23 -0.10 0.00 -2.50 0.00 0.00 54.97 51.14 2yto s GLU 38 Cb 0.00 -2.68 0.20 0.00 0.00 0.00 0.00 34.13 31.65 2yto s GLU 38 CO 0.00 -0.71 0.66 0.50 0.02 0.00 0.00 175.26 175.73 2yto s ARG 39 N 1.28 3.25 0.29 4.30 6.06 -1.26 -4.93 118.95 127.94 2yto s ARG 39 Ca -0.01 -2.50 0.01 0.00 -2.50 0.00 0.00 55.73 50.73 2yto s ARG 39 Cb -0.19 -4.19 0.70 0.00 0.06 0.00 0.00 34.95 31.34 2yto s ARG 39 CO -0.09 -1.25 1.62 1.12 -2.50 0.00 0.00 175.30 174.20 2yto h HIS 40 N 7.49 0.17 -0.84 5.12 2.07 -2.04 -3.28 115.15 123.83 2yto h HIS 40 Ca 0.07 0.06 -0.35 0.00 -2.85 0.00 0.00 60.37 57.29 2yto h HIS 40 Cb 1.01 0.07 -0.06 0.00 2.57 0.00 0.00 27.41 31.00 2yto h HIS 40 CO 0.93 -0.30 0.89 0.45 -3.07 0.00 0.00 177.93 176.82 2yto s SER 41 N -5.06 5.39 0.00 3.10 0.15 -1.26 -4.76 113.70 111.26 2yto s SER 41 Ca -0.12 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2yto s SER 41 Cb 0.27 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2yto s SER 41 CO 0.77 -2.51 0.00 0.61 1.20 0.00 0.00 173.24 173.31 2yto n GLY 42 N 6.81 4.27 3.55 9.45 0.00 -1.24 -5.06 105.19 122.97 2yto n GLY 42 Ca 0.38 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.98 2.60 -0.09 1.61 0.04 -1.26 -4.96 135.00 129.95 2yto s PRO 43 Ca 0.00 0.32 -0.21 0.00 0.04 0.00 0.00 61.00 61.16 2yto s PRO 43 Cb 0.00 -4.60 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 2yto s PRO 43 CO 0.00 -2.94 0.58 -1.12 0.04 0.00 0.00 177.00 173.56 2yto s SER 44 N 8.09 6.83 -0.04 6.66 0.01 -1.26 -5.07 113.70 128.93 2yto s SER 44 Ca 0.68 0.99 0.05 0.00 1.31 0.00 0.00 55.95 58.98 2yto s SER 44 Cb -0.11 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 2yto s SER 44 CO 0.14 -0.05 -0.19 -0.94 0.41 0.00 0.00 173.24 172.61 2yto s SER 45 N 0.70 2.28 0.00 2.44 1.04 -1.26 -5.26 113.70 113.65 2yto s SER 45 Ca 0.31 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2yto s SER 45 Cb -0.16 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2yto s SER 45 CO 0.14 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.16