#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 -0.50 0.08 1.61 1.04 -1.26 -5.05 113.70 109.61 2yto s SER 2 Ca 0.00 1.02 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 2yto s SER 2 Cb 0.00 1.09 -0.10 0.00 0.10 0.00 0.00 66.02 67.11 2yto s SER 2 CO 0.00 -0.21 1.53 -1.28 0.98 0.00 0.00 173.24 174.26 2yto h SER 3 N 7.49 0.33 -4.35 7.02 0.87 -2.14 -3.48 113.55 119.29 2yto h SER 3 Ca -0.28 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 2yto h SER 3 Cb 1.16 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2yto h SER 3 CO 0.22 0.53 -0.04 0.61 -0.53 0.00 0.00 176.83 177.62 2yto n GLY 4 N -0.38 -0.79 3.30 5.77 0.00 -1.26 -5.02 105.19 106.81 2yto n GLY 4 Ca -0.04 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2yto n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yto s SER 5 N -2.62 5.35 0.46 1.61 1.04 -1.26 -5.09 113.70 113.19 2yto s SER 5 Ca 0.02 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 55.24 2yto s SER 5 Cb -0.00 -1.90 -0.08 0.00 0.10 0.00 0.00 66.02 64.14 2yto s SER 5 CO 0.42 -0.32 0.90 -0.44 0.98 0.00 0.00 173.24 174.79 2yto s SER 6 N 1.44 6.65 -0.32 7.02 0.01 -1.26 -5.05 113.70 122.19 2yto s SER 6 Ca -0.00 1.45 -0.09 0.00 1.31 0.00 0.00 55.95 58.61 2yto s SER 6 Cb -0.19 -2.45 0.19 0.00 0.21 0.00 0.00 66.02 63.77 2yto s SER 6 CO 0.03 -0.47 1.03 -0.83 0.41 0.00 0.00 173.24 173.41 2yto s GLY 7 N -2.90 -1.37 -0.06 3.44 0.00 -1.26 -5.15 107.32 100.02 2yto s GLY 7 Ca 0.57 1.47 -0.01 0.00 0.00 0.00 0.00 44.72 46.75 2yto s GLY 7 CO 0.28 4.23 -0.01 -0.51 0.00 0.00 0.00 173.10 177.08 2yto s THR 8 N 2.24 0.39 0.00 0.90 -4.23 -1.26 -5.06 115.64 108.61 2yto s THR 8 Ca 0.18 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2yto s THR 8 Cb 0.01 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.35 2yto s THR 8 CO -0.17 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2yto n GLY 9 N 4.75 2.84 2.55 3.99 0.00 -1.26 -4.93 105.19 113.12 2yto n GLY 9 Ca -0.14 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2yto n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yto n GLU 10 N 0.00 1.92 -4.22 1.61 1.02 -1.26 -5.04 120.64 114.67 2yto n GLU 10 Ca 0.00 -4.33 -0.13 0.00 -0.02 0.00 0.00 57.16 52.68 2yto n GLU 10 Cb 0.00 -2.10 -0.10 0.00 -0.02 0.00 0.00 31.44 29.22 2yto n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yto s LYS 11 N -1.81 0.99 0.23 3.49 3.01 -1.26 -4.99 119.74 119.39 2yto s LYS 11 Ca 0.34 -1.43 0.23 0.00 -1.01 0.00 0.00 55.97 54.10 2yto s LYS 11 Cb 0.08 -0.39 0.95 0.00 -1.01 0.00 0.00 37.83 37.46 2yto s LYS 11 CO -0.09 -0.01 1.68 -0.35 0.51 0.00 0.00 175.35 177.10 2yto n PRO 12 N -0.15 0.17 -4.22 -1.68 -0.04 -1.26 -4.78 135.00 123.05 2yto n PRO 12 Ca -0.10 0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2yto n PRO 12 Cb 0.61 -1.84 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 2yto n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2yto s TYR 13 N -3.29 1.13 -0.29 0.54 2.02 -1.14 -5.04 117.35 111.28 2yto s TYR 13 Ca 0.04 -1.07 -0.23 0.00 -0.37 0.00 0.00 57.07 55.44 2yto s TYR 13 Cb 0.09 -0.64 0.15 0.00 -0.40 0.00 0.00 41.96 41.16 2yto s TYR 13 CO 0.38 -0.28 1.18 0.21 -1.57 0.00 0.00 175.55 175.46 2yto s LYS 14 N -3.95 0.30 1.07 -0.62 2.20 -1.26 -1.37 119.74 116.12 2yto s LYS 14 Ca 0.24 0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 56.12 2yto s LYS 14 Cb 0.06 0.13 0.23 0.00 -1.51 0.00 0.00 37.83 36.75 2yto s LYS 14 CO 0.03 -0.04 1.07 0.00 -0.36 0.00 0.00 175.35 176.05 2yto n SER 16 N -4.50 4.11 -0.10 0.00 3.41 -1.26 -3.97 113.62 111.31 2yto n SER 16 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 2yto n SER 16 Cb 0.56 0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 2yto n SER 16 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2yto h ASP 17 N 0.00 0.63 0.00 4.04 3.58 -2.02 -3.39 116.42 119.26 2yto h ASP 17 Ca 0.00 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 56.97 2yto h ASP 17 Cb 0.78 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2yto h ASP 17 CO 0.00 0.89 -1.27 0.00 -2.88 0.00 0.00 179.24 175.98 2yto n GLY 19 N 3.27 0.75 2.82 0.00 0.00 -1.26 -5.06 105.19 105.71 2yto n GLY 19 Ca -0.09 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2yto n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yto s LYS 20 N -1.33 1.04 0.03 1.61 2.20 -1.26 -4.84 119.74 117.19 2yto s LYS 20 Ca 0.00 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2yto s LYS 20 Cb 0.00 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 2yto s LYS 20 CO 0.00 -0.51 1.27 0.00 -0.36 0.00 0.00 175.35 175.75 2yto s ALA 21 N 1.74 3.48 -0.12 3.13 0.00 -1.26 -1.20 121.76 127.53 2yto s ALA 21 Ca -0.00 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2yto s ALA 21 Cb -0.16 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 2yto s ALA 21 CO -0.07 -0.62 -0.20 -0.06 0.00 0.00 0.00 175.76 174.81 2yto s PHE 22 N 1.56 2.66 0.42 0.00 0.08 -0.47 -4.92 117.98 117.30 2yto s PHE 22 Ca 0.60 -0.96 0.13 0.00 0.12 0.00 0.00 56.93 56.83 2yto s PHE 22 Cb -0.30 -1.78 0.89 0.00 -0.57 0.00 0.00 43.02 41.27 2yto s PHE 22 CO 0.27 -0.38 1.93 0.00 -0.10 0.00 0.00 175.22 176.95 2yto h THR 23 N 5.63 1.18 -3.98 0.64 1.03 -1.94 -3.02 112.91 112.45 2yto h THR 23 Ca -0.23 -0.85 -0.69 0.00 -0.01 0.00 0.00 66.41 64.63 2yto h THR 23 Cb 1.22 1.45 -0.22 0.00 -1.07 0.00 0.00 68.15 69.52 2yto h THR 23 CO 0.51 0.24 -0.84 -0.13 -0.01 0.00 0.00 175.52 175.29 2yto s ARG 24 N -4.50 1.72 0.18 0.00 0.52 -1.26 -4.61 118.95 111.00 2yto s ARG 24 Ca -0.04 -1.18 -0.14 0.00 -0.52 0.00 0.00 55.73 53.85 2yto s ARG 24 Cb 0.15 -2.02 0.16 0.00 0.52 0.00 0.00 34.95 33.76 2yto s ARG 24 CO 0.71 0.49 1.71 -0.22 0.02 0.00 0.00 175.30 178.01 2yto h LYS 25 N 4.20 0.19 -0.31 3.54 1.63 -1.98 -2.43 116.57 121.41 2yto h LYS 25 Ca -0.49 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.37 2yto h LYS 25 Cb 1.16 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.67 2yto h LYS 25 CO 0.43 0.12 -0.32 0.66 -3.45 0.00 0.00 179.45 176.89 2yto h SER 26 N 0.19 -1.05 -1.74 4.20 4.64 -1.97 0.66 113.55 118.48 2yto h SER 26 Ca 0.23 0.17 0.53 0.00 -0.47 0.00 0.00 61.79 62.25 2yto h SER 26 Cb 0.31 0.48 -0.09 0.00 -0.31 0.00 0.00 62.40 62.78 2yto h SER 26 CO -0.32 -0.33 1.22 0.61 -0.87 0.00 0.00 176.83 177.14 2yto n GLY 27 N -1.41 -0.91 0.11 -0.77 0.00 -0.92 0.37 105.19 101.66 2yto n GLY 27 Ca -0.00 0.68 -0.21 0.00 0.00 0.00 0.00 46.02 46.49 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 0.18 0.28 0.99 5.85 -0.96 -3.10 115.31 118.54 2yto h LEU 28 Ca 0.89 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2yto h LEU 28 Cb 3.37 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 44.31 2yto h LEU 28 CO -0.14 1.56 -0.45 0.45 -0.34 0.00 0.00 178.44 179.52 2yto h HIS 29 N -0.61 -1.28 -0.75 1.25 3.86 0.83 0.27 115.15 118.71 2yto h HIS 29 Ca -0.33 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2yto h HIS 29 Cb 1.54 0.52 -0.04 0.00 1.06 0.00 0.00 27.41 30.50 2yto h HIS 29 CO 0.11 -0.56 0.50 0.82 0.86 0.00 0.00 177.93 179.67 2yto h ILE 30 N -0.78 1.18 -0.56 2.45 5.03 -1.31 -2.35 117.51 121.18 2yto h ILE 30 Ca -0.03 -0.34 -0.01 0.00 -0.12 0.00 0.00 64.86 64.35 2yto h ILE 30 Cb 0.72 0.09 -0.03 0.00 -3.03 0.00 0.00 36.82 34.57 2yto h ILE 30 CO -0.15 0.18 0.31 -0.74 -0.68 0.00 0.00 178.15 177.07 2yto h HIS 31 N 1.00 0.76 -0.70 1.37 -0.00 -1.34 -2.73 115.15 113.51 2yto h HIS 31 Ca 0.28 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.75 2yto h HIS 31 Cb -0.09 -0.24 -0.08 0.00 -0.00 0.00 0.00 27.41 27.00 2yto h HIS 31 CO -0.00 0.55 0.28 1.96 -0.00 0.00 0.00 177.93 180.72 2yto h GLN 32 N 0.75 0.44 -0.93 5.26 1.08 0.07 -0.77 115.11 121.02 2yto h GLN 32 Ca 0.20 -0.03 0.22 0.00 -1.45 0.00 0.00 58.65 57.59 2yto h GLN 32 Cb 0.04 -0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 27.24 2yto h GLN 32 CO -0.03 0.29 0.46 1.96 -0.95 0.00 0.00 178.83 180.56 2yto h GLN 33 N 0.45 0.46 -0.35 1.46 1.08 -1.40 -1.01 115.11 115.81 2yto h GLN 33 Ca 0.36 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.61 2yto h GLN 33 Cb 0.49 -0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 27.73 2yto h GLN 33 CO -0.35 0.30 -0.32 1.03 -0.95 0.00 0.00 178.83 178.55 2yto h SER 34 N 0.47 -1.04 -0.35 1.46 0.87 -1.18 -1.84 113.55 111.94 2yto h SER 34 Ca 0.58 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 61.40 2yto h SER 34 Cb 1.08 0.48 -0.09 0.00 -0.44 0.00 0.00 62.40 63.44 2yto h SER 34 CO -0.50 -0.32 -0.28 0.45 -0.53 0.00 0.00 176.83 175.64 2yto h HIS 35 N -0.27 -0.77 -2.93 2.24 3.86 -1.25 -3.35 115.15 112.68 2yto h HIS 35 Ca 0.16 0.05 -0.55 0.00 -1.16 0.00 0.00 60.37 58.87 2yto h HIS 35 Cb 0.53 0.39 -0.07 0.00 1.06 0.00 0.00 27.41 29.32 2yto h HIS 35 CO -0.51 -0.35 1.02 0.95 0.86 0.00 0.00 177.93 179.90 2yto s THR 36 N -6.04 3.91 0.00 2.45 -4.23 -0.69 -4.57 115.64 106.47 2yto s THR 36 Ca -0.15 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 2yto s THR 36 Cb 0.13 -4.73 0.00 0.00 1.34 0.00 0.00 72.50 69.24 2yto s THR 36 CO 0.68 -1.45 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 2yto n GLY 37 N 5.17 -0.59 2.15 3.99 0.00 -1.26 -4.85 105.19 109.80 2yto n GLY 37 Ca 0.08 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.40 2yto n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yto n GLU 38 N 0.00 3.01 -2.51 1.61 0.00 -1.26 -5.01 120.64 116.47 2yto n GLU 38 Ca 0.00 -3.63 -0.42 0.00 0.00 0.00 0.00 57.16 53.11 2yto n GLU 38 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 31.44 29.15 2yto n GLU 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2yto s ARG 39 N -3.70 4.48 -0.12 3.44 3.52 -1.26 -5.03 118.95 120.29 2yto s ARG 39 Ca 0.58 1.66 -0.02 0.00 -0.13 0.00 0.00 55.73 57.83 2yto s ARG 39 Cb 0.46 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2yto s ARG 39 CO 0.01 -0.17 0.02 -1.58 -0.81 0.00 0.00 175.30 172.77 2yto s HIS 40 N 0.95 0.78 0.34 5.12 5.65 -1.26 -5.14 115.29 121.73 2yto s HIS 40 Ca 0.56 -0.42 0.04 0.00 0.25 0.00 0.00 55.06 55.49 2yto s HIS 40 Cb -0.27 -0.88 -0.06 0.00 -1.18 0.00 0.00 32.58 30.19 2yto s HIS 40 CO 0.29 -0.44 0.06 0.45 -0.65 0.00 0.00 174.74 174.46 2yto s SER 41 N 1.94 2.57 -0.65 9.88 0.15 -1.26 -5.11 113.70 121.22 2yto s SER 41 Ca 0.03 -1.41 0.04 0.00 0.70 0.00 0.00 55.95 55.31 2yto s SER 41 Cb -0.14 -0.04 0.16 0.00 -1.71 0.00 0.00 66.02 64.29 2yto s SER 41 CO -0.06 -0.63 0.43 -0.83 1.20 0.00 0.00 173.24 173.34 2yto s GLY 42 N -3.53 2.78 0.00 9.45 0.00 -1.26 -4.91 107.32 109.86 2yto s GLY 42 Ca 0.34 -3.65 0.14 0.00 0.00 0.00 0.00 44.72 41.56 2yto s GLY 42 CO 0.15 1.06 1.43 -1.55 0.00 0.00 0.00 173.10 174.19 2yto n PRO 43 N 2.37 0.09 -1.34 2.90 -0.04 -1.26 -3.00 135.00 134.72 2yto n PRO 43 Ca 0.15 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.47 2yto n PRO 43 Cb 0.34 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2yto n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yto n SER 44 N -1.41 7.56 -4.83 3.54 2.88 -1.26 -4.97 113.62 115.13 2yto n SER 44 Ca 0.05 -3.78 -0.22 0.00 -1.33 0.00 0.00 58.87 53.59 2yto n SER 44 Cb 0.14 -0.96 -0.04 0.00 -0.75 0.00 0.00 64.21 62.60 2yto n SER 44 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yto s SER 45 N -1.85 5.51 0.00 -3.46 1.04 -1.16 -5.31 113.70 108.46 2yto s SER 45 Ca 0.65 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2yto s SER 45 Cb 0.51 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 65.28 2yto s SER 45 CO -0.01 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74