#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 6.19 -0.07 1.61 0.15 -1.26 -5.00 113.70 115.32 2yrj s SER 2 Ca 0.00 -1.43 -0.30 0.00 0.70 0.00 0.00 55.95 54.92 2yrj s SER 2 Cb 0.00 -2.25 0.11 0.00 -1.71 0.00 0.00 66.02 62.17 2yrj s SER 2 CO 0.00 -0.93 0.93 -0.94 1.20 0.00 0.00 173.24 173.50 2yrj s SER 3 N 3.30 -0.37 -0.96 5.45 1.04 -1.26 -5.00 113.70 115.91 2yrj s SER 3 Ca 0.08 0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.68 2yrj s SER 3 Cb -0.25 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2yrj s SER 3 CO 0.06 -0.51 0.81 0.61 0.98 0.00 0.00 173.24 175.19 2yrj n GLY 4 N 0.16 -0.19 3.45 7.32 0.00 -1.26 -4.93 105.19 109.74 2yrj n GLY 4 Ca -0.09 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.51 5.25 -4.07 1.61 3.41 -1.26 -4.94 113.62 111.11 2yrj n SER 5 Ca -0.17 -2.99 -0.32 0.00 -0.26 0.00 0.00 58.87 55.13 2yrj n SER 5 Cb 0.61 -1.55 -0.15 0.00 -0.26 0.00 0.00 64.21 62.86 2yrj n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yrj s SER 6 N 2.65 4.64 0.00 4.04 0.15 -1.26 -5.05 113.70 118.87 2yrj s SER 6 Ca 0.42 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2yrj s SER 6 Cb -0.03 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2yrj s SER 6 CO -0.00 -0.27 0.35 0.61 1.20 0.00 0.00 173.24 175.12 2yrj n GLY 7 N 4.42 -2.58 3.44 9.45 0.00 -1.26 -4.42 105.19 114.24 2yrj n GLY 7 Ca -0.09 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 2yrj n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrj s THR 8 N -0.69 4.20 0.00 2.61 2.01 -1.26 -4.90 115.64 117.60 2yrj s THR 8 Ca 0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2yrj s THR 8 Cb 0.00 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2yrj s THR 8 CO 0.00 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2yrj n GLY 9 N 4.76 -1.60 3.61 4.40 0.00 -1.26 -5.16 105.19 109.95 2yrj n GLY 9 Ca -0.16 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -0.84 -0.32 1.61 2.02 -1.26 -4.96 118.70 114.95 2yrj s GLU 10 Ca 0.00 0.07 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 2yrj s GLU 10 Cb 0.00 -1.63 0.05 0.00 0.10 0.00 0.00 34.13 32.66 2yrj s GLU 10 CO 0.00 -3.49 0.04 0.15 0.02 0.00 0.00 175.26 171.98 2yrj s LYS 11 N -5.30 2.42 0.26 1.61 1.02 -1.26 -4.74 119.74 113.76 2yrj s LYS 11 Ca 0.70 -1.31 0.04 0.00 0.02 0.00 0.00 55.97 55.42 2yrj s LYS 11 Cb -0.12 -3.28 0.33 0.00 -0.52 0.00 0.00 37.83 34.25 2yrj s LYS 11 CO 0.56 -0.67 1.63 -1.00 -0.92 0.00 0.00 175.35 174.95 2yrj h PRO 12 N 8.05 0.34 -6.11 -1.68 0.13 -1.85 -3.43 132.00 127.44 2yrj h PRO 12 Ca -0.21 -0.18 -0.57 0.00 -0.87 0.00 0.00 66.00 64.17 2yrj h PRO 12 Cb 1.06 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 2yrj h PRO 12 CO 0.56 0.73 0.57 0.71 -0.23 0.00 0.00 178.00 180.34 2yrj s TYR 13 N -4.08 3.44 -0.11 1.56 1.51 -1.25 -5.00 117.35 113.42 2yrj s TYR 13 Ca -0.05 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 2yrj s TYR 13 Cb 0.13 -3.15 0.02 0.00 -0.11 0.00 0.00 41.96 38.85 2yrj s TYR 13 CO 0.79 -0.29 -0.10 0.50 -1.11 0.00 0.00 175.55 175.34 2yrj s ARG 14 N 2.35 1.71 0.69 -0.62 3.52 -1.26 -1.31 118.95 124.03 2yrj s ARG 14 Ca 0.44 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.53 2yrj s ARG 14 Cb -0.17 -1.66 -0.07 0.00 -1.56 0.00 0.00 34.95 31.49 2yrj s ARG 14 CO 0.13 -0.21 0.38 0.00 -0.81 0.00 0.00 175.30 174.79 2yrj n GLY 16 N 1.87 -0.91 0.07 0.00 0.00 -1.26 -3.24 105.19 101.73 2yrj n GLY 16 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.39 114.58 115.28 2yrj h GLU 17 Ca -0.54 0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.31 2yrj h GLU 17 Cb 2.19 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.79 2yrj h GLU 17 CO 0.02 -0.12 -1.95 0.00 -1.18 0.00 0.00 179.01 175.78 2yrj n GLY 19 N 1.88 1.71 2.58 0.00 0.00 -1.20 -5.05 105.19 105.11 2yrj n GLY 19 Ca -0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.26 -3.94 -3.89 1.61 5.02 -1.26 -4.43 118.16 111.01 2yrj n LYS 20 Ca 0.00 -1.21 -0.09 0.00 -2.02 0.00 0.00 58.31 54.99 2yrj n LYS 20 Cb 0.00 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 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 -0.13 -0.24 7.82 0.00 -1.26 0.72 121.76 126.35 2yrj s ALA 21 Ca 0.54 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 2yrj s ALA 21 Cb -0.08 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2yrj s ALA 21 CO 0.44 -0.45 0.62 -0.06 0.00 0.00 0.00 175.76 176.31 2yrj s PHE 22 N -3.56 -0.77 0.24 0.00 0.40 -0.42 -4.94 117.98 108.92 2yrj s PHE 22 Ca 0.03 1.76 -0.06 0.00 -0.60 0.00 0.00 56.93 58.05 2yrj s PHE 22 Cb 0.04 0.33 0.24 0.00 0.51 0.00 0.00 43.02 44.14 2yrj s PHE 22 CO -0.09 -0.38 1.90 0.00 0.70 0.00 0.00 175.22 177.35 2yrj h ALA 23 N 5.77 1.24 -3.58 5.36 0.00 -1.86 -3.31 119.26 122.88 2yrj h ALA 23 Ca -0.30 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.85 2yrj h ALA 23 Cb 1.18 -0.39 -0.18 0.00 0.00 0.00 0.00 17.79 18.40 2yrj h ALA 23 CO 0.14 0.67 -0.80 -0.65 0.00 0.00 0.00 179.25 178.61 2yrj s GLN 24 N -6.02 1.76 0.04 0.00 1.11 -1.26 -4.74 119.66 110.55 2yrj s GLN 24 Ca -0.13 -1.25 -0.25 0.00 0.01 0.00 0.00 55.36 53.74 2yrj s GLN 24 Cb 0.18 -2.07 -0.17 0.00 -1.01 0.00 0.00 33.01 29.93 2yrj s GLN 24 CO 0.82 0.46 1.50 0.87 0.01 0.00 0.00 175.29 178.95 2yrj h LYS 25 N 3.57 -0.19 -1.38 2.91 1.79 -1.99 -2.65 116.57 118.63 2yrj h LYS 25 Ca -0.49 0.01 0.40 0.00 -2.18 0.00 0.00 60.65 58.39 2yrj h LYS 25 Cb 1.18 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.80 2yrj h LYS 25 CO 0.47 0.03 0.97 0.00 -1.08 0.00 0.00 179.45 179.84 2yrj h ALA 26 N 0.43 3.13 0.00 3.86 0.00 -1.98 1.47 119.26 126.17 2yrj h ALA 26 Ca -0.02 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2yrj h ALA 26 Cb 0.31 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2yrj h ALA 26 CO 0.03 -1.58 -0.89 -0.97 0.00 0.00 0.00 179.25 175.85 2yrj h ASN 27 N 0.06 0.00 0.00 0.00 -0.00 -1.89 -3.18 115.58 110.58 2yrj h ASN 27 Ca 0.69 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.96 2yrj h ASN 27 Cb 2.57 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 40.89 2yrj h ASN 27 CO -0.10 0.89 -0.25 0.25 -0.00 0.00 0.00 177.43 178.21 2yrj h LEU 28 N 0.00 0.00 -1.00 0.34 5.85 0.21 -3.25 115.31 117.46 2yrj h LEU 28 Ca -0.01 -0.59 0.27 0.00 0.84 0.00 0.00 57.88 58.39 2yrj h LEU 28 Cb 1.60 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.50 2yrj h LEU 28 CO 0.12 0.94 0.57 0.74 -0.34 0.00 0.00 178.44 180.46 2yrj h THR 29 N -1.00 0.44 0.00 1.05 2.02 -0.52 1.05 112.91 115.96 2yrj h THR 29 Ca -0.06 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2yrj h THR 29 Cb 0.76 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2yrj h THR 29 CO -0.03 0.09 -0.28 0.06 0.37 0.00 0.00 175.52 175.73 2yrj h GLN 30 N 0.47 0.00 -0.02 6.66 3.07 -1.68 -3.01 115.11 120.61 2yrj h GLN 30 Ca 0.67 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 59.19 2yrj h GLN 30 Cb 1.38 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.95 2yrj h GLN 30 CO -0.53 0.28 -0.84 1.25 0.09 0.00 0.00 178.83 179.08 2yrj h HIS 31 N 0.00 0.88 -0.79 0.06 2.76 0.11 -3.19 115.15 114.98 2yrj h HIS 31 Ca -0.00 -0.47 0.23 0.00 -2.20 0.00 0.00 60.37 57.93 2yrj h HIS 31 Cb 0.66 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 2yrj h HIS 31 CO 0.00 1.29 0.60 1.96 -1.30 0.00 0.00 177.93 180.49 2yrj h GLN 32 N 0.22 0.00 -0.29 5.26 4.20 -1.11 0.25 115.11 123.64 2yrj h GLN 32 Ca -0.10 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.69 2yrj h GLN 32 Cb 1.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 2yrj h GLN 32 CO 0.17 0.00 0.32 0.00 -0.67 0.00 0.00 178.83 178.64 2yrj h ARG 33 N 0.00 0.00 0.00 1.46 3.08 -1.61 0.27 114.38 117.58 2yrj h ARG 33 Ca 0.38 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 2yrj h ARG 33 Cb 1.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 2yrj h ARG 33 CO -0.00 0.00 -0.20 -0.84 -1.07 0.00 0.00 179.97 177.86 2yrj h ILE 34 N 0.00 0.72 0.02 2.04 3.07 -0.67 1.83 117.51 124.52 2yrj h ILE 34 Ca 0.14 -0.82 -0.30 0.00 1.55 0.00 0.00 64.86 65.43 2yrj h ILE 34 Cb 0.77 1.51 -0.04 0.00 -0.27 0.00 0.00 36.82 38.79 2yrj h ILE 34 CO -0.00 0.19 -1.64 1.41 -1.05 0.00 0.00 178.15 177.06 2yrj n HIS 35 N -3.70 0.84 0.08 0.16 8.25 0.88 -4.31 115.22 117.42 2yrj n HIS 35 Ca -0.01 0.32 -0.22 0.00 -0.26 0.00 0.00 57.72 57.55 2yrj n HIS 35 Cb 0.31 -1.09 -0.15 0.00 1.12 0.00 0.00 29.99 30.19 2yrj n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yrj h THR 36 N -0.82 1.26 -3.35 1.59 1.03 -1.39 -3.40 112.91 107.84 2yrj h THR 36 Ca -0.43 -2.56 -0.77 0.00 -0.01 0.00 0.00 66.41 62.64 2yrj h THR 36 Cb 1.48 3.00 -0.31 0.00 -1.07 0.00 0.00 68.15 71.25 2yrj h THR 36 CO -0.21 0.77 0.30 0.61 -0.01 0.00 0.00 175.52 176.99 2yrj n GLY 37 N 1.73 4.34 0.29 2.99 0.00 0.62 -4.72 105.19 110.45 2yrj n GLY 37 Ca -0.19 -2.61 0.05 0.00 0.00 0.00 0.00 46.02 43.28 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 2.31 2.50 -4.22 1.61 0.00 -1.24 -4.27 120.64 117.33 2yrj n GLU 38 Ca 0.24 -2.12 -0.21 0.00 0.00 0.00 0.00 57.16 55.07 2yrj n GLU 38 Cb 0.38 -1.33 -0.12 0.00 0.00 0.00 0.00 31.44 30.37 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 -1.80 0.95 -0.01 3.44 -2.85 -1.26 -5.12 119.74 113.09 2yrj s LYS 39 Ca 0.20 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.81 2yrj s LYS 39 Cb 0.15 -1.05 -0.05 0.00 -2.06 0.00 0.00 37.83 34.82 2yrj s LYS 39 CO 0.05 0.24 1.46 -1.25 0.10 0.00 0.00 175.35 175.95 2yrj s PRO 40 N -1.87 4.25 -0.13 1.78 0.04 -1.26 -5.00 135.00 132.81 2yrj s PRO 40 Ca 0.02 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 2yrj s PRO 40 Cb -0.10 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 2yrj s PRO 40 CO 0.03 -0.65 0.60 0.45 0.04 0.00 0.00 177.00 177.47 2yrj s SER 41 N 2.19 6.77 0.00 6.66 0.15 -1.26 -4.91 113.70 123.31 2yrj s SER 41 Ca 0.66 0.93 0.00 0.00 0.70 0.00 0.00 55.95 58.24 2yrj s SER 41 Cb -0.32 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2yrj s SER 41 CO 0.27 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2yrj n GLY 42 N 3.41 1.05 0.02 9.45 0.00 -1.26 -4.69 105.19 113.17 2yrj n GLY 42 Ca -0.03 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 1.13 0.03 -2.68 1.61 -0.04 -1.26 -4.72 135.00 129.08 2yrj n PRO 43 Ca 0.00 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 2yrj n PRO 43 Cb 0.00 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 2yrj n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yrj s SER 44 N -3.22 7.32 -0.41 3.54 1.04 -1.26 -5.01 113.70 115.70 2yrj s SER 44 Ca 0.06 1.67 -0.22 0.00 0.48 0.00 0.00 55.95 57.94 2yrj s SER 44 Cb 0.09 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.66 2yrj s SER 44 CO 0.28 -0.32 0.72 -0.44 0.98 0.00 0.00 173.24 174.47 2yrj s SER 45 N 1.04 6.43 0.00 7.02 0.01 -1.26 -4.89 113.70 122.05 2yrj s SER 45 Ca 0.52 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2yrj s SER 45 Cb -0.21 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2yrj s SER 45 CO 0.26 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.74