#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrj s SER 2 N 0.00 5.32 -0.27 1.61 0.01 -1.26 -5.02 113.70 114.09 2yrj s SER 2 Ca 0.00 -3.25 -0.15 0.00 1.31 0.00 0.00 55.95 53.86 2yrj s SER 2 Cb 0.00 -1.82 0.08 0.00 0.21 0.00 0.00 66.02 64.49 2yrj s SER 2 CO 0.00 -0.27 0.67 -0.44 0.41 0.00 0.00 173.24 173.61 2yrj s SER 3 N 0.08 -0.94 -0.20 2.44 0.01 -1.26 -5.16 113.70 108.67 2yrj s SER 3 Ca 0.21 1.48 -0.10 0.00 1.31 0.00 0.00 55.95 58.85 2yrj s SER 3 Cb -0.15 1.46 0.07 0.00 0.21 0.00 0.00 66.02 67.61 2yrj s SER 3 CO -0.07 -0.23 0.48 -0.83 0.41 0.00 0.00 173.24 172.99 2yrj s GLY 4 N 1.78 -0.42 0.03 3.44 0.00 -1.26 -5.13 107.32 105.78 2yrj s GLY 4 Ca -0.09 1.75 -0.38 0.00 0.00 0.00 0.00 44.72 45.99 2yrj s GLY 4 CO -0.19 2.04 1.09 1.44 0.00 0.00 0.00 173.10 177.47 2yrj n SER 5 N 4.56 0.26 -3.58 1.64 7.64 -1.26 -4.95 113.62 117.92 2yrj n SER 5 Ca -0.19 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.71 2yrj n SER 5 Cb 0.55 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 2yrj n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yrj s SER 6 N 0.02 -0.39 -0.29 6.43 0.15 -1.26 -5.17 113.70 113.19 2yrj s SER 6 Ca 0.87 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 57.41 2yrj s SER 6 Cb -1.18 0.49 0.12 0.00 -1.71 0.00 0.00 66.02 63.75 2yrj s SER 6 CO 0.55 -0.77 0.78 -0.83 1.20 0.00 0.00 173.24 174.17 2yrj s GLY 7 N -2.24 -0.46 0.01 9.45 0.00 -1.26 -5.06 107.32 107.76 2yrj s GLY 7 Ca -0.03 2.65 0.00 0.00 0.00 0.00 0.00 44.72 47.35 2yrj s GLY 7 CO -0.05 2.73 0.00 -1.30 0.00 0.00 0.00 173.10 174.48 2yrj n THR 8 N 4.56 0.02 -3.42 0.90 -2.24 -1.26 -4.95 114.28 107.89 2yrj n THR 8 Ca -0.16 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2yrj n THR 8 Cb 0.55 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 2yrj n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yrj n GLY 9 N 2.23 4.24 3.33 3.38 0.00 -1.26 -5.05 105.19 112.07 2yrj n GLY 9 Ca 0.00 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.13 2yrj n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrj s GLU 10 N -1.42 -2.44 -0.33 1.61 2.02 -1.26 -4.92 118.70 111.95 2yrj s GLU 10 Ca 0.30 0.44 -0.04 0.00 0.02 0.00 0.00 54.97 55.69 2yrj s GLU 10 Cb -0.08 -1.41 0.05 0.00 0.10 0.00 0.00 34.13 32.79 2yrj s GLU 10 CO -0.09 -4.63 0.08 0.15 0.02 0.00 0.00 175.26 170.80 2yrj s LYS 11 N -4.76 2.49 0.24 1.61 1.02 -1.26 -4.73 119.74 114.35 2yrj s LYS 11 Ca 0.68 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 55.40 2yrj s LYS 11 Cb -0.19 -3.38 0.27 0.00 -0.52 0.00 0.00 37.83 34.01 2yrj s LYS 11 CO 0.61 -0.70 1.61 -1.00 -0.92 0.00 0.00 175.35 174.95 2yrj h PRO 12 N 8.12 0.45 -6.23 -1.68 0.13 -1.84 -3.44 132.00 127.51 2yrj h PRO 12 Ca -0.21 -0.24 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2yrj h PRO 12 Cb 1.07 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2yrj h PRO 12 CO 0.59 0.81 0.49 0.71 -0.23 0.00 0.00 178.00 180.36 2yrj s TYR 13 N -4.14 3.53 -0.10 1.56 1.51 -1.24 -5.00 117.35 113.46 2yrj s TYR 13 Ca -0.06 1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 57.54 2yrj s TYR 13 Cb 0.12 -3.13 0.03 0.00 -0.11 0.00 0.00 41.96 38.87 2yrj s TYR 13 CO 0.81 -0.17 -0.05 0.50 -1.11 0.00 0.00 175.55 175.52 2yrj s ARG 14 N 1.79 1.25 0.63 -0.62 3.52 -1.26 -1.44 118.95 122.82 2yrj s ARG 14 Ca 0.47 -0.15 -0.17 0.00 -0.13 0.00 0.00 55.73 55.75 2yrj s ARG 14 Cb -0.18 -1.41 -0.08 0.00 -1.56 0.00 0.00 34.95 31.71 2yrj s ARG 14 CO 0.19 -0.28 0.34 0.00 -0.81 0.00 0.00 175.30 174.74 2yrj n GLY 16 N 1.96 -0.94 0.08 0.00 0.00 -1.26 -3.18 105.19 101.84 2yrj n GLY 16 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2yrj n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2yrj h GLU 17 N 0.00 -0.19 0.06 1.61 4.57 -1.99 -3.39 114.58 115.25 2yrj h GLU 17 Ca -0.51 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.35 2yrj h GLU 17 Cb 2.18 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.78 2yrj h GLU 17 CO 0.03 -0.13 -1.90 0.00 -1.18 0.00 0.00 179.01 175.84 2yrj n GLY 19 N 1.79 1.80 1.60 0.00 0.00 -1.19 -5.05 105.19 104.14 2yrj n GLY 19 Ca -0.36 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 2yrj n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yrj n LYS 20 N -0.07 -3.27 -3.76 1.61 5.02 -1.26 -4.44 118.16 112.00 2yrj n LYS 20 Ca 0.00 -0.74 -0.10 0.00 -2.02 0.00 0.00 58.31 55.45 2yrj n LYS 20 Cb 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 2yrj n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yrj s ALA 21 N -2.18 -0.55 -0.27 7.82 0.00 -1.26 0.01 121.76 125.33 2yrj s ALA 21 Ca 0.34 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 2yrj s ALA 21 Cb -0.06 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.70 2yrj s ALA 21 CO 0.28 -0.56 0.71 -0.06 0.00 0.00 0.00 175.76 176.12 2yrj s PHE 22 N -3.75 -0.86 0.26 0.00 0.40 -0.52 -4.94 117.98 108.56 2yrj s PHE 22 Ca 0.03 1.97 -0.04 0.00 -0.60 0.00 0.00 56.93 58.29 2yrj s PHE 22 Cb 0.03 0.37 0.34 0.00 0.51 0.00 0.00 43.02 44.27 2yrj s PHE 22 CO -0.11 -0.42 1.90 0.00 0.70 0.00 0.00 175.22 177.29 2yrj h ALA 23 N 5.54 1.34 -1.87 5.36 0.00 -1.87 -3.30 119.26 124.46 2yrj h ALA 23 Ca -0.29 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 2yrj h ALA 23 Cb 1.18 -0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2yrj h ALA 23 CO 0.08 0.53 -0.63 -0.65 0.00 0.00 0.00 179.25 178.59 2yrj s GLN 24 N -6.07 2.00 -0.07 0.00 1.11 -1.26 -4.71 119.66 110.65 2yrj s GLN 24 Ca -0.13 -1.85 -0.24 0.00 0.01 0.00 0.00 55.36 53.15 2yrj s GLN 24 Cb 0.19 -1.83 -0.19 0.00 -1.01 0.00 0.00 33.01 30.16 2yrj s GLN 24 CO 0.82 0.10 0.91 0.87 0.01 0.00 0.00 175.29 177.99 2yrj h LYS 25 N 1.84 -0.07 -1.42 2.91 1.79 -2.00 -3.12 116.57 116.51 2yrj h LYS 25 Ca -0.43 0.01 0.43 0.00 -2.18 0.00 0.00 60.65 58.48 2yrj h LYS 25 Cb 1.25 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 2yrj h LYS 25 CO 0.70 0.53 0.97 0.00 -1.08 0.00 0.00 179.45 180.56 2yrj h ALA 26 N -0.01 3.02 0.01 3.86 0.00 -1.98 1.65 119.26 125.82 2yrj h ALA 26 Ca -0.01 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2yrj h ALA 26 Cb 0.64 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2yrj h ALA 26 CO 0.01 -1.55 -0.91 -0.97 0.00 0.00 0.00 179.25 175.83 2yrj h ASN 27 N 0.09 0.16 0.00 0.00 -1.24 -1.97 -3.13 115.58 109.49 2yrj h ASN 27 Ca 0.77 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.63 2yrj h ASN 27 Cb 2.67 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 41.67 2yrj h ASN 27 CO -0.23 0.98 -0.12 0.25 -1.29 0.00 0.00 177.43 177.03 2yrj h LEU 28 N 0.06 0.00 -0.94 0.34 5.85 0.22 -3.21 115.31 117.63 2yrj h LEU 28 Ca -0.04 -0.40 0.27 0.00 0.84 0.00 0.00 57.88 58.55 2yrj h LEU 28 Cb 1.57 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.45 2yrj h LEU 28 CO 0.13 0.77 0.40 0.74 -0.34 0.00 0.00 178.44 180.14 2yrj h THR 29 N -1.00 0.33 0.00 1.05 2.02 -0.35 1.13 112.91 116.08 2yrj h THR 29 Ca -0.02 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2yrj h THR 29 Cb 0.49 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2yrj h THR 29 CO -0.01 0.05 -0.31 0.06 0.37 0.00 0.00 175.52 175.68 2yrj h GLN 30 N 0.29 0.00 -0.07 6.66 3.07 -1.68 -3.02 115.11 120.36 2yrj h GLN 30 Ca 0.63 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.29 2yrj h GLN 30 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2yrj h GLN 30 CO -0.62 0.31 -0.28 1.25 0.09 0.00 0.00 178.83 179.58 2yrj h HIS 31 N 0.00 0.42 -0.79 0.06 2.76 0.12 -3.13 115.15 114.59 2yrj h HIS 31 Ca -0.00 -0.18 0.23 0.00 -2.20 0.00 0.00 60.37 58.22 2yrj h HIS 31 Cb 0.59 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 2yrj h HIS 31 CO 0.00 0.90 0.61 1.96 -1.30 0.00 0.00 177.93 180.10 2yrj h GLN 32 N -0.17 0.00 -0.22 5.26 4.20 -1.06 0.23 115.11 123.35 2yrj h GLN 32 Ca -0.01 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.76 2yrj h GLN 32 Cb 0.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2yrj h GLN 32 CO 0.06 0.00 0.36 0.00 -0.67 0.00 0.00 178.83 178.58 2yrj h ARG 33 N 0.00 0.00 -0.46 1.46 3.08 -1.53 0.12 114.38 117.05 2yrj h ARG 33 Ca 0.38 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.31 2yrj h ARG 33 Cb 1.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 2yrj h ARG 33 CO -0.00 0.00 -0.19 -0.84 -1.07 0.00 0.00 179.97 177.87 2yrj h ILE 34 N 0.00 1.27 0.00 2.04 3.07 -0.74 -3.26 117.51 119.89 2yrj h ILE 34 Ca 0.10 -1.32 -0.00 0.00 1.55 0.00 0.00 64.86 65.19 2yrj h ILE 34 Cb 0.83 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2yrj h ILE 34 CO -0.00 0.45 -0.02 0.45 -1.05 0.00 0.00 178.15 177.98 2yrj h HIS 35 N 0.79 0.02 -0.51 0.16 3.86 -0.95 -3.44 115.15 115.07 2yrj h HIS 35 Ca 0.11 -0.01 -0.72 0.00 -1.16 0.00 0.00 60.37 58.59 2yrj h HIS 35 Cb 0.73 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 2yrj h HIS 35 CO 0.04 0.88 1.36 0.25 0.86 0.00 0.00 177.93 181.33 2yrj n THR 36 N -4.66 0.09 0.00 2.45 -2.24 -0.87 -4.62 114.28 104.43 2yrj n THR 36 Ca -0.10 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2yrj n THR 36 Cb 0.43 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2yrj n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yrj n GLY 37 N 7.06 3.46 3.33 3.38 0.00 -1.26 -4.95 105.19 116.20 2yrj n GLY 37 Ca 0.49 -0.77 -0.47 0.00 0.00 0.00 0.00 46.02 45.26 2yrj n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrj s GLU 38 N -4.03 3.52 0.23 1.61 8.01 -1.26 -5.04 118.70 121.74 2yrj s GLU 38 Ca 0.00 -2.36 0.11 0.00 0.01 0.00 0.00 54.97 52.73 2yrj s GLU 38 Cb 0.00 -4.41 -0.05 0.00 -4.31 0.00 0.00 34.13 25.37 2yrj s GLU 38 CO 0.00 -1.30 -0.14 0.15 0.01 0.00 0.00 175.26 173.99 2yrj s LYS 39 N 0.36 1.88 0.00 1.61 3.01 -1.26 -5.01 119.74 120.33 2yrj s LYS 39 Ca 0.16 -1.52 0.13 0.00 -1.01 0.00 0.00 55.97 53.73 2yrj s LYS 39 Cb -0.13 -1.97 0.79 0.00 -1.01 0.00 0.00 37.83 35.51 2yrj s LYS 39 CO -0.07 0.38 1.22 -0.35 0.51 0.00 0.00 175.35 177.03 2yrj n PRO 40 N -0.33 0.49 -1.12 -1.68 -0.04 -1.26 -4.85 135.00 126.21 2yrj n PRO 40 Ca -0.08 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.90 2yrj n PRO 40 Cb 0.58 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2yrj n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrj n SER 41 N -0.92 0.55 -2.24 3.54 2.88 -1.26 -3.00 113.62 113.17 2yrj n SER 41 Ca 0.10 0.48 -0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2yrj n SER 41 Cb 0.05 -0.77 -0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2yrj n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrj n GLY 42 N 6.20 -3.82 0.20 0.46 0.00 -1.26 -4.63 105.19 102.32 2yrj n GLY 42 Ca 0.49 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.75 2yrj n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrj h PRO 43 N 1.94 0.31 0.21 1.61 0.13 -1.94 -3.21 132.00 131.05 2yrj h PRO 43 Ca -0.04 -0.16 -0.33 0.00 -0.87 0.00 0.00 66.00 64.60 2yrj h PRO 43 Cb 0.09 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.24 2yrj h PRO 43 CO 0.06 0.70 -1.52 0.66 -0.23 0.00 0.00 178.00 177.67 2yrj h SER 44 N 0.25 0.70 -3.19 1.44 4.64 -1.92 -3.44 113.55 112.03 2yrj h SER 44 Ca 0.02 -0.82 -0.52 0.00 -0.47 0.00 0.00 61.79 60.00 2yrj h SER 44 Cb 0.90 -0.23 -0.37 0.00 -0.31 0.00 0.00 62.40 62.39 2yrj h SER 44 CO 0.07 1.66 -0.80 -0.55 -0.87 0.00 0.00 176.83 176.34 2yrj s SER 45 N -7.41 2.14 0.00 4.97 0.15 -1.21 -5.28 113.70 107.06 2yrj s SER 45 Ca -0.10 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2yrj s SER 45 Cb 0.05 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 2yrj s SER 45 CO 0.91 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.84