#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrj n SER 2 N 0.00 2.75 -4.96 1.61 7.64 -1.26 -4.95 113.62 114.46 2yrj n SER 2 Ca 0.00 -0.18 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 2yrj n SER 2 Cb 0.00 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 61.62 2yrj n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yrj s SER 3 N 10.42 6.21 -1.14 6.43 0.01 -1.26 -4.99 113.70 129.38 2yrj s SER 3 Ca 1.00 0.21 -0.20 0.00 1.31 0.00 0.00 55.95 58.27 2yrj s SER 3 Cb -0.25 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 2yrj s SER 3 CO 0.30 -0.28 1.95 0.61 0.41 0.00 0.00 173.24 176.24 2yrj n GLY 4 N -1.66 2.56 3.25 3.44 0.00 -1.26 -4.95 105.19 106.56 2yrj n GLY 4 Ca -0.05 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 2yrj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrj n SER 5 N 9.21 -3.10 -0.01 1.61 3.41 -1.26 -4.94 113.62 118.53 2yrj n SER 5 Ca 0.49 -0.50 -0.13 0.00 -0.26 0.00 0.00 58.87 58.47 2yrj n SER 5 Cb 0.43 -1.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 2yrj n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yrj h SER 6 N -3.01 -0.02 -2.25 4.04 0.02 -1.98 -3.50 113.55 106.84 2yrj h SER 6 Ca -0.45 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2yrj h SER 6 Cb 1.23 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2yrj h SER 6 CO 0.31 0.49 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 2yrj n GLY 7 N 0.29 2.26 0.32 -3.77 0.00 -1.26 -4.94 105.19 98.10 2yrj n GLY 7 Ca -0.09 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.55 2yrj n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yrj n THR 8 N -1.56 -0.39 0.00 2.61 -2.24 -1.26 -4.85 114.28 106.58 2yrj n THR 8 Ca 0.00 2.06 0.00 0.00 -2.27 0.00 0.00 64.05 63.84 2yrj n THR 8 Cb 0.00 -2.96 0.00 0.00 -2.10 0.00 0.00 70.33 65.27 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 -1.50 0.39 3.81 3.38 0.00 -1.26 -5.17 105.19 104.85 2yrj n GLY 9 Ca 0.20 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.44 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 3.40 2.50 -0.28 1.61 0.41 -1.26 -5.09 118.70 119.99 2yrj s GLU 10 Ca 0.00 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.05 2yrj s GLU 10 Cb 0.00 -2.30 0.05 0.00 -1.78 0.00 0.00 34.13 30.10 2yrj s GLU 10 CO 0.00 -0.02 -0.05 0.15 -0.49 0.00 0.00 175.26 174.84 2yrj s LYS 11 N -3.99 2.43 0.23 1.61 1.02 -1.26 -4.72 119.74 115.06 2yrj s LYS 11 Ca 0.42 -1.24 -0.00 0.00 0.02 0.00 0.00 55.97 55.17 2yrj s LYS 11 Cb -0.03 -3.03 0.23 0.00 -0.52 0.00 0.00 37.83 34.48 2yrj s LYS 11 CO 0.25 -0.56 1.59 -1.00 -0.92 0.00 0.00 175.35 174.71 2yrj h PRO 12 N 7.92 0.50 -6.34 -1.68 0.13 -1.87 -3.44 132.00 127.23 2yrj h PRO 12 Ca -0.23 -0.27 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 2yrj h PRO 12 Cb 1.06 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2yrj h PRO 12 CO 0.51 0.85 0.47 0.71 -0.23 0.00 0.00 178.00 180.31 2yrj s TYR 13 N -4.17 3.58 -0.09 1.56 1.51 -1.25 -5.00 117.35 113.50 2yrj s TYR 13 Ca -0.07 1.64 -0.01 0.00 -1.01 0.00 0.00 57.07 57.62 2yrj s TYR 13 Cb 0.12 -3.16 0.03 0.00 -0.11 0.00 0.00 41.96 38.84 2yrj s TYR 13 CO 0.82 -0.14 -0.02 0.50 -1.11 0.00 0.00 175.55 175.59 2yrj s ARG 14 N 1.47 0.90 0.75 -0.62 3.52 -1.26 -1.62 118.95 122.09 2yrj s ARG 14 Ca 0.51 -0.01 -0.16 0.00 -0.13 0.00 0.00 55.73 55.93 2yrj s ARG 14 Cb -0.20 -1.18 -0.06 0.00 -1.56 0.00 0.00 34.95 31.95 2yrj s ARG 14 CO 0.23 -0.30 0.23 0.00 -0.81 0.00 0.00 175.30 174.66 2yrj n GLY 16 N 2.02 -0.84 0.14 0.00 0.00 -1.26 -3.30 105.19 101.95 2yrj n GLY 16 Ca 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.33 0.07 1.61 4.57 -1.99 -3.39 114.58 115.12 2yrj h GLU 17 Ca -0.53 0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.32 2yrj h GLU 17 Cb 2.13 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.77 2yrj h GLU 17 CO 0.01 -0.22 -2.00 0.00 -1.18 0.00 0.00 179.01 175.61 2yrj n GLY 19 N 1.90 1.70 1.64 0.00 0.00 -1.21 -5.05 105.19 104.17 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 -0.38 -3.10 -3.79 1.61 5.02 -1.26 -4.45 118.16 111.81 2yrj n LYS 20 Ca 0.00 -0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 55.42 2yrj n LYS 20 Cb 0.00 -0.92 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.31 -0.48 -0.27 7.82 0.00 -1.26 0.09 121.76 125.35 2yrj s ALA 21 Ca 0.34 -0.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.63 2yrj s ALA 21 Cb -0.05 0.63 0.07 0.00 0.00 0.00 0.00 23.12 23.77 2yrj s ALA 21 CO 0.28 -0.59 0.71 -0.06 0.00 0.00 0.00 175.76 176.09 2yrj s PHE 22 N -3.86 -0.80 0.27 0.00 0.40 -0.64 -4.95 117.98 108.41 2yrj s PHE 22 Ca 0.06 1.92 -0.01 0.00 -0.60 0.00 0.00 56.93 58.30 2yrj s PHE 22 Cb 0.03 0.29 0.37 0.00 0.51 0.00 0.00 43.02 44.22 2yrj s PHE 22 CO -0.09 -0.39 1.77 0.00 0.70 0.00 0.00 175.22 177.21 2yrj h ALA 23 N 5.16 1.13 -4.14 5.36 0.00 -1.87 -3.31 119.26 121.59 2yrj h ALA 23 Ca -0.29 -0.27 -0.66 0.00 0.00 0.00 0.00 54.91 53.69 2yrj h ALA 23 Cb 1.17 -0.18 -0.25 0.00 0.00 0.00 0.00 17.79 18.52 2yrj h ALA 23 CO 0.06 0.56 -0.87 -0.65 0.00 0.00 0.00 179.25 178.35 2yrj s GLN 24 N -4.93 1.59 0.09 0.00 -0.21 -1.26 -4.78 119.66 110.17 2yrj s GLN 24 Ca -0.09 -1.12 -0.29 0.00 0.02 0.00 0.00 55.36 53.88 2yrj s GLN 24 Cb 0.15 -1.82 -0.13 0.00 1.00 0.00 0.00 33.01 32.20 2yrj s GLN 24 CO 0.80 0.46 1.64 0.87 -2.12 0.00 0.00 175.29 176.95 2yrj h LYS 25 N 4.60 -0.57 -1.54 2.91 1.79 -2.00 -1.95 116.57 119.81 2yrj h LYS 25 Ca -0.46 0.04 0.50 0.00 -2.18 0.00 0.00 60.65 58.54 2yrj h LYS 25 Cb 1.15 0.13 -0.12 0.00 -1.58 0.00 0.00 32.23 31.81 2yrj h LYS 25 CO 0.43 -0.38 1.04 0.00 -1.08 0.00 0.00 179.45 179.45 2yrj h ALA 26 N 0.01 3.13 0.03 3.86 0.00 -1.98 2.01 119.26 126.32 2yrj h ALA 26 Ca -0.02 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2yrj h ALA 26 Cb 0.52 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2yrj h ALA 26 CO -0.02 -1.77 -1.00 -0.97 0.00 0.00 0.00 179.25 175.49 2yrj h ASN 27 N 0.02 0.47 0.05 0.00 -0.73 -1.78 -3.15 115.58 110.47 2yrj h ASN 27 Ca 0.88 -0.41 -0.00 0.00 1.87 0.00 0.00 56.30 58.64 2yrj h ASN 27 Cb 3.05 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 41.50 2yrj h ASN 27 CO -0.32 1.23 -0.03 0.25 -0.37 0.00 0.00 177.43 178.19 2yrj h LEU 28 N 0.18 -0.06 -0.97 0.34 5.85 0.33 -3.13 115.31 117.85 2yrj h LEU 28 Ca -0.09 -0.51 0.28 0.00 0.84 0.00 0.00 57.88 58.40 2yrj h LEU 28 Cb 1.65 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.56 2yrj h LEU 28 CO 0.17 0.65 0.48 0.74 -0.34 0.00 0.00 178.44 180.14 2yrj h THR 29 N -0.94 0.35 0.00 1.05 2.02 -0.37 1.20 112.91 116.21 2yrj h THR 29 Ca -0.01 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 2yrj h THR 29 Cb 0.57 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2yrj h THR 29 CO 0.01 0.06 -0.33 0.06 0.37 0.00 0.00 175.52 175.69 2yrj h GLN 30 N 0.34 0.00 -0.06 6.66 3.07 -1.64 -3.10 115.11 120.38 2yrj h GLN 30 Ca 0.67 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 59.31 2yrj h GLN 30 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.99 2yrj h GLN 30 CO -0.59 0.33 -0.33 1.25 0.09 0.00 0.00 178.83 179.58 2yrj h HIS 31 N 0.00 0.44 -1.04 0.06 2.76 0.15 -3.19 115.15 114.34 2yrj h HIS 31 Ca -0.00 -0.20 0.28 0.00 -2.20 0.00 0.00 60.37 58.25 2yrj h HIS 31 Cb 0.72 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.54 2yrj h HIS 31 CO 0.00 0.95 0.71 1.96 -1.30 0.00 0.00 177.93 180.24 2yrj h GLN 32 N -0.19 0.20 -0.79 5.26 4.20 -1.12 0.22 115.11 122.89 2yrj h GLN 32 Ca -0.02 -0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.90 2yrj h GLN 32 Cb 0.99 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 2yrj h GLN 32 CO 0.07 0.13 0.74 0.00 -0.67 0.00 0.00 178.83 179.10 2yrj h ARG 33 N 0.20 0.00 -0.60 1.46 3.08 -1.58 0.49 114.38 117.43 2yrj h ARG 33 Ca 0.54 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.51 2yrj h ARG 33 Cb 1.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 2yrj h ARG 33 CO -0.14 0.00 0.05 -0.84 -1.07 0.00 0.00 179.97 177.97 2yrj h ILE 34 N 0.00 1.26 0.13 2.04 3.07 -0.76 -3.23 117.51 120.01 2yrj h ILE 34 Ca 0.38 -1.06 -0.22 0.00 1.55 0.00 0.00 64.86 65.50 2yrj h ILE 34 Cb 1.86 0.74 0.01 0.00 -0.27 0.00 0.00 36.82 39.16 2yrj h ILE 34 CO -0.00 0.39 -1.08 0.45 -1.05 0.00 0.00 178.15 176.86 2yrj h HIS 35 N 0.94 0.48 -1.67 0.16 3.86 -0.25 -3.42 115.15 115.25 2yrj h HIS 35 Ca 0.18 -0.35 -0.48 0.00 -1.16 0.00 0.00 60.37 58.56 2yrj h HIS 35 Cb 0.48 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.87 2yrj h HIS 35 CO 0.03 1.42 1.17 0.95 0.86 0.00 0.00 177.93 182.36 2yrj s THR 36 N -2.45 3.57 0.00 2.45 -4.23 -0.37 -4.77 115.64 109.84 2yrj s THR 36 Ca -0.17 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2yrj s THR 36 Cb 0.02 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.46 2yrj s THR 36 CO 0.80 -1.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2yrj n GLY 37 N 6.06 2.96 3.56 3.99 0.00 -1.26 -4.77 105.19 115.72 2yrj n GLY 37 Ca 0.22 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2yrj n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yrj n GLU 38 N 0.00 1.09 -4.21 1.61 0.00 -1.26 -5.00 120.64 112.87 2yrj n GLU 38 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 57.16 57.37 2yrj n GLU 38 Cb 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 31.44 29.50 2yrj n GLU 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2yrj s LYS 39 N -1.79 0.94 -0.07 5.31 0.00 -1.26 -5.11 119.74 117.75 2yrj s LYS 39 Ca 0.62 -1.13 -0.30 0.00 0.00 0.00 0.00 55.97 55.17 2yrj s LYS 39 Cb -0.61 -0.85 -0.04 0.00 0.00 0.00 0.00 37.83 36.33 2yrj s LYS 39 CO 0.58 0.17 1.51 -1.25 0.00 0.00 0.00 175.35 176.35 2yrj s PRO 40 N -2.36 4.21 -0.42 1.78 0.04 -1.26 -4.88 135.00 132.12 2yrj s PRO 40 Ca 0.05 2.01 -0.39 0.00 0.04 0.00 0.00 61.00 62.71 2yrj s PRO 40 Cb -0.06 -3.85 -0.17 0.00 0.04 0.00 0.00 34.50 30.45 2yrj s PRO 40 CO 0.02 -0.77 1.36 -1.13 0.04 0.00 0.00 177.00 176.53 2yrj n SER 41 N 6.69 1.00 0.00 6.66 3.41 -1.26 -4.84 113.62 125.28 2yrj n SER 41 Ca 0.16 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2yrj n SER 41 Cb 0.43 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2yrj n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrj n GLY 42 N 3.47 3.49 0.00 5.00 0.00 -1.26 -4.96 105.19 110.92 2yrj n GLY 42 Ca 0.27 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.90 2yrj n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrj n PRO 43 N -0.93 0.49 -1.09 1.61 -0.04 -1.26 -4.42 135.00 129.35 2yrj n PRO 43 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2yrj n PRO 43 Cb 0.00 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 2yrj n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrj n SER 44 N -0.89 3.44 -3.03 3.54 2.88 -1.26 -4.89 113.62 113.41 2yrj n SER 44 Ca 0.09 -2.59 -0.15 0.00 -1.33 0.00 0.00 58.87 54.89 2yrj n SER 44 Cb 0.04 -1.17 0.10 0.00 -0.75 0.00 0.00 64.21 62.44 2yrj n SER 44 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yrj n SER 45 N 6.35 0.12 0.00 -3.46 3.41 -1.26 -5.08 113.62 113.71 2yrj n SER 45 Ca 0.49 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 2yrj n SER 45 Cb 0.32 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49