#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 3.39 0.04 1.61 0.01 -1.26 -5.08 113.70 112.41 2yrj s SER 2 Ca 0.00 -0.49 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 2yrj s SER 2 Cb 0.00 -1.48 -0.10 0.00 0.21 0.00 0.00 66.02 64.65 2yrj s SER 2 CO 0.00 0.15 1.91 -0.24 0.41 0.00 0.00 173.24 175.47 2yrj n SER 3 N 3.62 3.97 0.00 2.44 2.88 -1.26 -4.31 113.62 120.96 2yrj n SER 3 Ca -0.19 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2yrj n SER 3 Cb 0.53 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2yrj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrj n GLY 4 N 4.40 -1.01 3.35 0.46 0.00 -1.26 -5.15 105.19 105.98 2yrj n GLY 4 Ca 0.20 0.39 -0.38 0.00 0.00 0.00 0.00 46.02 46.23 2yrj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrj n SER 5 N 0.00 -2.49 0.24 1.61 2.88 -1.26 -4.90 113.62 109.70 2yrj n SER 5 Ca 0.00 0.68 -0.12 0.00 -1.33 0.00 0.00 58.87 58.10 2yrj n SER 5 Cb 0.00 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 2yrj n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2yrj h SER 6 N 0.07 -0.78 -5.10 -3.46 0.02 -2.01 -3.46 113.55 98.83 2yrj h SER 6 Ca -0.43 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.51 2yrj h SER 6 Cb 1.42 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 64.07 2yrj h SER 6 CO 0.44 -0.44 -0.14 -0.83 -1.14 0.00 0.00 176.83 174.71 2yrj s GLY 7 N -1.64 -0.17 -0.08 -3.77 0.00 -1.26 -5.16 107.32 95.24 2yrj s GLY 7 Ca -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.42 2yrj s GLY 7 CO 0.36 -0.43 -0.14 -0.51 0.00 0.00 0.00 173.10 172.38 2yrj s THR 8 N -3.82 1.30 -0.56 0.90 -4.23 -1.26 -5.08 115.64 102.88 2yrj s THR 8 Ca 0.04 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 2yrj s THR 8 Cb 0.02 -1.19 0.18 0.00 1.34 0.00 0.00 72.50 72.86 2yrj s THR 8 CO -0.11 0.40 0.46 0.61 -0.54 0.00 0.00 174.62 175.43 2yrj n GLY 9 N 3.94 3.28 3.91 3.99 0.00 -1.26 -5.10 105.19 113.95 2yrj n GLY 9 Ca -0.21 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.95 2.33 -0.40 1.61 8.01 -1.26 -5.10 118.70 122.94 2yrj s GLU 10 Ca 0.30 -1.84 -0.12 0.00 0.01 0.00 0.00 54.97 53.32 2yrj s GLU 10 Cb 0.02 -2.24 0.04 0.00 -4.31 0.00 0.00 34.13 27.64 2yrj s GLU 10 CO -0.16 -0.53 0.25 0.15 0.01 0.00 0.00 175.26 174.97 2yrj s LYS 11 N -4.29 2.83 0.14 1.61 1.02 -1.26 -4.76 119.74 115.03 2yrj s LYS 11 Ca 0.42 -1.14 -0.11 0.00 0.02 0.00 0.00 55.97 55.15 2yrj s LYS 11 Cb -0.03 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 2yrj s LYS 11 CO 0.25 -0.77 1.47 -1.00 -0.92 0.00 0.00 175.35 174.38 2yrj h PRO 12 N 8.50 0.92 -6.22 -1.68 0.13 -1.85 -3.43 132.00 128.36 2yrj h PRO 12 Ca -0.26 -0.49 -0.56 0.00 -0.87 0.00 0.00 66.00 63.83 2yrj h PRO 12 Cb 1.10 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2yrj h PRO 12 CO 0.71 1.14 0.72 0.71 -0.23 0.00 0.00 178.00 181.05 2yrj s TYR 13 N -4.39 3.25 -0.12 1.56 1.51 -1.25 -4.99 117.35 112.93 2yrj s TYR 13 Ca -0.11 1.33 -0.00 0.00 -1.01 0.00 0.00 57.07 57.28 2yrj s TYR 13 Cb 0.11 -3.34 0.02 0.00 -0.11 0.00 0.00 41.96 38.64 2yrj s TYR 13 CO 0.88 -0.92 -0.10 0.50 -1.11 0.00 0.00 175.55 174.80 2yrj s ARG 14 N 2.57 1.77 0.70 -0.62 3.52 -1.26 -1.23 118.95 124.41 2yrj s ARG 14 Ca 0.51 -0.35 -0.17 0.00 -0.13 0.00 0.00 55.73 55.59 2yrj s ARG 14 Cb -0.20 -1.74 -0.07 0.00 -1.56 0.00 0.00 34.95 31.38 2yrj s ARG 14 CO 0.16 -0.25 0.29 0.00 -0.81 0.00 0.00 175.30 174.70 2yrj n GLY 16 N 1.97 -0.88 0.07 0.00 0.00 -1.26 -3.25 105.19 101.84 2yrj n GLY 16 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.18 0.08 1.61 4.57 -1.99 -3.39 114.58 115.29 2yrj h GLU 17 Ca -0.54 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.31 2yrj h GLU 17 Cb 2.17 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.78 2yrj h GLU 17 CO 0.01 -0.12 -1.87 0.00 -1.18 0.00 0.00 179.01 175.85 2yrj n GLY 19 N 1.84 1.73 1.51 0.00 0.00 -1.20 -5.05 105.19 104.02 2yrj n GLY 19 Ca -0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.34 -2.92 -3.80 1.61 5.02 -1.26 -4.45 118.16 112.02 2yrj n LYS 20 Ca 0.00 -0.71 -0.10 0.00 -2.02 0.00 0.00 58.31 55.48 2yrj n LYS 20 Cb 0.00 -0.83 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.35 -0.43 -0.27 7.82 0.00 -1.26 0.06 121.76 125.32 2yrj s ALA 21 Ca 0.31 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 2yrj s ALA 21 Cb -0.05 0.48 0.08 0.00 0.00 0.00 0.00 23.12 23.63 2yrj s ALA 21 CO 0.26 -0.50 0.66 -0.06 0.00 0.00 0.00 175.76 176.11 2yrj s PHE 22 N -3.52 -1.06 0.36 0.00 0.40 -0.36 -4.95 117.98 108.84 2yrj s PHE 22 Ca 0.02 2.09 0.08 0.00 -0.60 0.00 0.00 56.93 58.52 2yrj s PHE 22 Cb 0.03 0.63 0.78 0.00 0.51 0.00 0.00 43.02 44.97 2yrj s PHE 22 CO -0.09 -0.53 1.90 0.00 0.70 0.00 0.00 175.22 177.19 2yrj h ALA 23 N 7.13 1.78 -4.05 5.36 0.00 -1.86 -3.32 119.26 124.31 2yrj h ALA 23 Ca -0.29 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.93 2yrj h ALA 23 Cb 1.21 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.62 2yrj h ALA 23 CO 0.16 0.02 -0.84 -0.65 0.00 0.00 0.00 179.25 177.94 2yrj s GLN 24 N -5.68 1.85 0.07 0.00 1.11 -1.26 -4.74 119.66 111.01 2yrj s GLN 24 Ca -0.10 -1.10 -0.28 0.00 0.01 0.00 0.00 55.36 53.89 2yrj s GLN 24 Cb 0.21 -2.07 -0.17 0.00 -1.01 0.00 0.00 33.01 29.97 2yrj s GLN 24 CO 0.78 0.51 1.62 0.87 0.01 0.00 0.00 175.29 179.09 2yrj h LYS 25 N 4.45 -0.49 -1.44 2.91 1.79 -1.99 -2.47 116.57 119.33 2yrj h LYS 25 Ca -0.48 0.03 0.46 0.00 -2.18 0.00 0.00 60.65 58.48 2yrj h LYS 25 Cb 1.15 0.11 -0.12 0.00 -1.58 0.00 0.00 32.23 31.80 2yrj h LYS 25 CO 0.45 -0.30 0.96 0.00 -1.08 0.00 0.00 179.45 179.47 2yrj h ALA 26 N 0.05 2.96 -0.02 3.86 0.00 -1.97 1.85 119.26 126.00 2yrj h ALA 26 Ca -0.05 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2yrj h ALA 26 Cb 0.42 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2yrj h ALA 26 CO 0.09 -1.58 -0.84 -0.97 0.00 0.00 0.00 179.25 175.95 2yrj h ASN 27 N 0.06 0.40 0.03 0.00 -1.24 -1.85 -3.12 115.58 109.86 2yrj h ASN 27 Ca 0.84 -0.30 -0.00 0.00 0.71 0.00 0.00 56.30 57.55 2yrj h ASN 27 Cb 2.80 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 41.73 2yrj h ASN 27 CO -0.34 1.07 -0.02 0.25 -1.29 0.00 0.00 177.43 177.11 2yrj h LEU 28 N 0.19 -0.04 -0.90 0.34 5.85 0.29 -3.11 115.31 117.94 2yrj h LEU 28 Ca -0.05 -0.58 0.25 0.00 0.84 0.00 0.00 57.88 58.33 2yrj h LEU 28 Cb 1.45 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.34 2yrj h LEU 28 CO 0.14 0.72 0.26 0.74 -0.34 0.00 0.00 178.44 179.96 2yrj h THR 29 N -0.95 0.30 -0.04 1.05 2.02 -0.46 0.95 112.91 115.77 2yrj h THR 29 Ca -0.00 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2yrj h THR 29 Cb 0.62 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2yrj h THR 29 CO 0.01 0.04 -0.36 0.06 0.37 0.00 0.00 175.52 175.64 2yrj h GLN 30 N 0.21 0.08 -0.39 6.66 3.07 -1.65 -2.88 115.11 120.21 2yrj h GLN 30 Ca 0.57 -0.03 -0.14 0.00 0.09 0.00 0.00 58.65 59.14 2yrj h GLN 30 Cb 1.18 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 2yrj h GLN 30 CO -0.66 0.43 -0.31 1.25 0.09 0.00 0.00 178.83 179.63 2yrj h HIS 31 N 0.07 1.01 -0.01 0.06 2.76 0.95 -2.71 115.15 117.28 2yrj h HIS 31 Ca 0.01 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 2yrj h HIS 31 Cb 0.67 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 2yrj h HIS 31 CO 0.00 1.06 0.17 1.96 -1.30 0.00 0.00 177.93 179.83 2yrj h GLN 32 N 0.73 0.00 0.00 5.26 4.20 -0.96 0.30 115.11 124.64 2yrj h GLN 32 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2yrj h GLN 32 Cb 0.87 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 2yrj h GLN 32 CO 0.08 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.23 2yrj h ARG 33 N 0.00 0.00 0.00 1.46 2.47 -1.55 -1.08 114.38 115.68 2yrj h ARG 33 Ca 0.01 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2yrj h ARG 33 Cb 0.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2yrj h ARG 33 CO -0.00 0.01 -0.54 -0.84 0.56 0.00 0.00 179.97 179.16 2yrj h ILE 34 N 0.00 1.35 -0.46 2.04 3.07 -1.12 -2.94 117.51 119.44 2yrj h ILE 34 Ca -0.00 -1.89 -0.24 0.00 1.55 0.00 0.00 64.86 64.27 2yrj h ILE 34 Cb 0.09 2.03 -0.14 0.00 -0.27 0.00 0.00 36.82 38.53 2yrj h ILE 34 CO 0.00 0.53 0.31 1.41 -1.05 0.00 0.00 178.15 179.36 2yrj n HIS 35 N -3.83 1.42 -4.37 0.16 8.25 -0.41 -4.85 115.22 111.59 2yrj n HIS 35 Ca -0.01 -1.18 -0.19 0.00 -0.26 0.00 0.00 57.72 56.08 2yrj n HIS 35 Cb 0.56 -0.60 -0.14 0.00 1.12 0.00 0.00 29.99 30.93 2yrj n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yrj s THR 36 N -1.57 0.87 0.00 1.59 -4.23 -1.11 -5.12 115.64 106.07 2yrj s THR 36 Ca 0.26 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2yrj s THR 36 Cb 0.22 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2yrj s THR 36 CO 0.05 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2yrj n GLY 37 N 2.43 2.03 0.82 3.99 0.00 -1.26 -4.97 105.19 108.23 2yrj n GLY 37 Ca -0.16 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.01 2yrj n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yrj n GLU 38 N -0.68 2.14 -4.47 1.61 0.00 -1.26 -4.85 120.64 113.13 2yrj n GLU 38 Ca 0.00 -1.10 -0.33 0.00 0.00 0.00 0.00 57.16 55.73 2yrj n GLU 38 Cb 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 31.44 29.77 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 -1.65 2.74 0.52 3.44 0.00 -1.26 -5.11 119.74 118.43 2yrj s LYS 39 Ca 0.19 -0.58 -0.21 0.00 0.00 0.00 0.00 55.97 55.38 2yrj s LYS 39 Cb 0.13 -2.62 -0.06 0.00 0.00 0.00 0.00 37.83 35.28 2yrj s LYS 39 CO 0.08 0.65 1.14 -1.25 0.00 0.00 0.00 175.35 175.97 2yrj s PRO 40 N -1.13 3.49 -0.00 1.78 0.04 -1.26 -4.97 135.00 132.95 2yrj s PRO 40 Ca 0.15 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.88 2yrj s PRO 40 Cb -0.11 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2yrj s PRO 40 CO 0.05 -0.75 0.09 -1.13 0.04 0.00 0.00 177.00 175.30 2yrj n SER 41 N -1.04 2.18 0.00 6.66 3.41 -1.26 -5.12 113.62 118.45 2yrj n SER 41 Ca 0.10 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2yrj n SER 41 Cb 0.50 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 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 1.68 -0.52 3.77 5.00 0.00 -1.26 -5.15 105.19 108.71 2yrj n GLY 42 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2yrj n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrj s PRO 43 N -1.40 2.66 -0.26 1.61 0.04 -1.26 -5.01 135.00 131.38 2yrj s PRO 43 Ca 0.00 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 2yrj s PRO 43 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2yrj s PRO 43 CO 0.00 -1.35 0.50 0.45 0.04 0.00 0.00 177.00 176.63 2yrj s SER 44 N -2.80 6.41 0.32 6.66 0.15 -1.26 -5.06 113.70 118.11 2yrj s SER 44 Ca 0.65 0.49 -0.15 0.00 0.70 0.00 0.00 55.95 57.65 2yrj s SER 44 Cb -0.20 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 2yrj s SER 44 CO 0.45 -0.27 0.73 -0.44 1.20 0.00 0.00 173.24 174.91 2yrj s SER 45 N 1.56 6.78 0.00 5.45 0.01 -1.26 -5.31 113.70 120.93 2yrj s SER 45 Ca 0.20 1.28 0.26 0.00 1.31 0.00 0.00 55.95 59.00 2yrj s SER 45 Cb -0.16 -2.37 0.60 0.00 0.21 0.00 0.00 66.02 64.30 2yrj s SER 45 CO 0.09 -0.20 1.49 0.61 0.41 0.00 0.00 173.24 175.65