#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 4.88 0.16 1.61 1.04 -1.26 -5.09 113.70 115.04 2yrj s SER 2 Ca 0.00 -1.47 0.03 0.00 0.48 0.00 0.00 55.95 54.98 2yrj s SER 2 Cb 0.00 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 2yrj s SER 2 CO 0.00 -0.30 -0.04 -0.44 0.98 0.00 0.00 173.24 173.43 2yrj s SER 3 N 1.29 1.50 0.00 7.02 0.01 -1.26 -5.15 113.70 117.10 2yrj s SER 3 Ca -0.02 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2yrj s SER 3 Cb -0.20 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2yrj s SER 3 CO -0.03 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2yrj n GLY 4 N -0.23 2.34 3.94 3.44 0.00 -1.26 -5.17 105.19 108.26 2yrj n GLY 4 Ca -0.08 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 2yrj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrj s SER 5 N 2.00 5.65 -0.19 1.61 1.04 -1.26 -5.11 113.70 117.43 2yrj s SER 5 Ca 0.00 0.38 -0.09 0.00 0.48 0.00 0.00 55.95 56.71 2yrj s SER 5 Cb 0.00 -1.47 0.07 0.00 0.10 0.00 0.00 66.02 64.72 2yrj s SER 5 CO 0.00 -0.90 0.45 -0.94 0.98 0.00 0.00 173.24 172.83 2yrj s SER 6 N -4.28 -0.51 0.00 7.02 1.04 -1.26 -4.99 113.70 110.72 2yrj s SER 6 Ca 0.52 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2yrj s SER 6 Cb -0.10 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.08 2yrj s SER 6 CO 0.40 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2yrj n GLY 7 N 4.64 0.95 3.98 7.32 0.00 -1.26 -4.99 105.19 115.83 2yrj n GLY 7 Ca -0.18 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2yrj n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yrj n THR 8 N 0.00 -0.00 0.00 2.61 -1.04 -1.26 -4.50 114.28 110.08 2yrj n THR 8 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2yrj n THR 8 Cb 0.00 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 2yrj n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yrj n GLY 9 N -0.96 2.60 3.78 3.41 0.00 -1.26 -5.09 105.19 107.67 2yrj n GLY 9 Ca 0.10 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.00 1.64 -0.41 1.61 8.01 -1.26 -4.99 118.70 121.31 2yrj s GLU 10 Ca 0.00 0.55 -0.14 0.00 0.01 0.00 0.00 54.97 55.39 2yrj s GLU 10 Cb 0.00 -1.88 0.03 0.00 -4.31 0.00 0.00 34.13 27.98 2yrj s GLU 10 CO 0.00 -1.91 0.29 0.15 0.01 0.00 0.00 175.26 173.80 2yrj s LYS 11 N -5.16 2.90 0.21 1.61 1.02 -1.26 -4.81 119.74 114.25 2yrj s LYS 11 Ca 0.62 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 55.46 2yrj s LYS 11 Cb -0.15 -3.92 0.16 0.00 -0.52 0.00 0.00 37.83 33.40 2yrj s LYS 11 CO 0.54 -0.79 1.56 -1.00 -0.92 0.00 0.00 175.35 174.74 2yrj h PRO 12 N 8.58 0.61 -6.20 -1.68 0.13 -1.86 -3.43 132.00 128.15 2yrj h PRO 12 Ca -0.26 -0.32 -0.57 0.00 -0.87 0.00 0.00 66.00 63.98 2yrj h PRO 12 Cb 1.11 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2yrj h PRO 12 CO 0.74 0.92 0.71 0.71 -0.23 0.00 0.00 178.00 180.85 2yrj s TYR 13 N -4.22 3.31 -0.10 1.56 1.51 -1.24 -4.99 117.35 113.17 2yrj s TYR 13 Ca -0.08 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.39 2yrj s TYR 13 Cb 0.12 -3.30 0.02 0.00 -0.11 0.00 0.00 41.96 38.69 2yrj s TYR 13 CO 0.83 -0.70 -0.08 0.50 -1.11 0.00 0.00 175.55 174.99 2yrj s ARG 14 N 2.64 1.50 0.81 -0.62 3.52 -1.26 -1.40 118.95 124.14 2yrj s ARG 14 Ca 0.49 -0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 55.67 2yrj s ARG 14 Cb -0.19 -1.49 -0.02 0.00 -1.56 0.00 0.00 34.95 31.69 2yrj s ARG 14 CO 0.14 -0.20 0.44 0.00 -0.81 0.00 0.00 175.30 174.87 2yrj n GLY 16 N 1.66 -0.75 0.11 0.00 0.00 -1.26 -3.35 105.19 101.60 2yrj n GLY 16 Ca 0.08 -0.27 -0.04 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 -0.27 0.07 1.61 4.22 -1.99 -3.39 114.58 114.83 2yrj h GLU 17 Ca -0.54 0.02 -0.34 0.00 0.08 0.00 0.00 59.36 58.58 2yrj h GLU 17 Cb 2.08 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.36 2yrj h GLU 17 CO -0.01 -0.18 -1.91 0.00 -2.18 0.00 0.00 179.01 174.74 2yrj n GLY 19 N 1.83 1.73 1.58 0.00 0.00 -1.21 -5.05 105.19 104.07 2yrj n GLY 19 Ca -0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.36 -3.27 -3.70 1.61 5.02 -1.26 -4.43 118.16 111.77 2yrj n LYS 20 Ca 0.00 -0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 55.45 2yrj n LYS 20 Cb 0.00 -0.92 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.17 -0.76 -0.26 7.82 0.00 -1.26 -0.20 121.76 124.94 2yrj s ALA 21 Ca 0.33 -0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.90 2yrj s ALA 21 Cb -0.06 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.72 2yrj s ALA 21 CO 0.27 -0.58 0.70 -0.06 0.00 0.00 0.00 175.76 176.10 2yrj s PHE 22 N -3.60 -0.77 0.33 0.00 0.40 -0.49 -4.96 117.98 108.89 2yrj s PHE 22 Ca 0.02 1.87 0.02 0.00 -0.60 0.00 0.00 56.93 58.24 2yrj s PHE 22 Cb 0.02 0.26 0.57 0.00 0.51 0.00 0.00 43.02 44.38 2yrj s PHE 22 CO -0.10 -0.37 1.91 0.00 0.70 0.00 0.00 175.22 177.36 2yrj h ALA 23 N 5.01 1.40 -2.38 5.36 0.00 -1.87 -3.30 119.26 123.48 2yrj h ALA 23 Ca -0.29 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 2yrj h ALA 23 Cb 1.16 -0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 2yrj h ALA 23 CO 0.07 0.45 -0.77 -0.65 0.00 0.00 0.00 179.25 178.35 2yrj s GLN 24 N -5.31 1.59 -0.02 0.00 -0.21 -1.26 -4.76 119.66 109.69 2yrj s GLN 24 Ca -0.09 -1.69 -0.24 0.00 0.02 0.00 0.00 55.36 53.36 2yrj s GLN 24 Cb 0.16 -1.67 -0.17 0.00 1.00 0.00 0.00 33.01 32.33 2yrj s GLN 24 CO 0.77 0.32 1.14 0.87 -2.12 0.00 0.00 175.29 176.27 2yrj h LYS 25 N 2.49 -0.22 -1.64 2.91 1.79 -2.00 -3.01 116.57 116.89 2yrj h LYS 25 Ca -0.41 0.01 0.49 0.00 -2.18 0.00 0.00 60.65 58.57 2yrj h LYS 25 Cb 1.24 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 2yrj h LYS 25 CO 0.58 0.18 1.14 0.00 -1.08 0.00 0.00 179.45 180.28 2yrj h ALA 26 N -0.01 3.38 0.06 3.86 0.00 -1.98 1.93 119.26 126.50 2yrj h ALA 26 Ca -0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2yrj h ALA 26 Cb 0.50 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2yrj h ALA 26 CO 0.04 -1.93 -1.08 -0.97 0.00 0.00 0.00 179.25 175.30 2yrj h ASN 27 N 0.03 0.32 0.02 0.00 -0.73 -1.95 -3.14 115.58 110.13 2yrj h ASN 27 Ca 0.85 -0.31 -0.00 0.00 1.87 0.00 0.00 56.30 58.70 2yrj h ASN 27 Cb 3.15 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 41.64 2yrj h ASN 27 CO -0.15 1.20 -0.01 0.25 -0.37 0.00 0.00 177.43 178.35 2yrj h LEU 28 N 0.09 -0.02 -0.96 0.34 5.85 0.29 -3.16 115.31 117.74 2yrj h LEU 28 Ca -0.09 -0.69 0.23 0.00 0.84 0.00 0.00 57.88 58.17 2yrj h LEU 28 Cb 1.78 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.70 2yrj h LEU 28 CO 0.17 0.80 0.53 0.74 -0.34 0.00 0.00 178.44 180.33 2yrj h THR 29 N -0.96 0.55 0.00 1.05 2.02 -0.49 0.81 112.91 115.89 2yrj h THR 29 Ca -0.00 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 2yrj h THR 29 Cb 0.71 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2yrj h THR 29 CO 0.00 0.10 -0.20 0.06 0.37 0.00 0.00 175.52 175.86 2yrj h GLN 30 N 0.55 0.00 0.05 6.66 3.07 -1.65 -3.06 115.11 120.73 2yrj h GLN 30 Ca 0.60 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 59.18 2yrj h GLN 30 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.68 2yrj h GLN 30 CO -0.48 0.20 -0.64 1.25 0.09 0.00 0.00 178.83 179.25 2yrj h HIS 31 N 0.00 0.56 -0.93 0.06 2.76 0.62 -3.25 115.15 114.97 2yrj h HIS 31 Ca -0.00 -0.34 0.24 0.00 -2.20 0.00 0.00 60.37 58.07 2yrj h HIS 31 Cb 0.60 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.46 2yrj h HIS 31 CO 0.00 1.19 0.64 1.96 -1.30 0.00 0.00 177.93 180.41 2yrj h GLN 32 N -0.22 0.23 -0.69 5.26 4.20 -1.10 0.13 115.11 122.91 2yrj h GLN 32 Ca -0.09 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.80 2yrj h GLN 32 Cb 1.40 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 2yrj h GLN 32 CO 0.12 0.15 0.74 0.00 -0.67 0.00 0.00 178.83 179.17 2yrj h ARG 33 N 0.23 0.00 -0.46 1.46 3.08 -1.59 0.57 114.38 117.68 2yrj h ARG 33 Ca 0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.41 2yrj h ARG 33 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 2yrj h ARG 33 CO -0.12 0.00 -0.18 -0.84 -1.07 0.00 0.00 179.97 177.76 2yrj h ILE 34 N 0.00 1.27 0.00 2.04 3.07 -0.95 -3.28 117.51 119.66 2yrj h ILE 34 Ca 0.33 -1.31 -0.00 0.00 1.55 0.00 0.00 64.86 65.42 2yrj h ILE 34 Cb 1.80 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 2yrj h ILE 34 CO -0.00 0.45 -0.00 0.45 -1.05 0.00 0.00 178.15 177.99 2yrj h HIS 35 N 0.78 0.00 -4.19 0.16 3.86 -0.06 -3.46 115.15 112.24 2yrj h HIS 35 Ca 0.11 -0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.82 2yrj h HIS 35 Cb 0.72 -0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.28 2yrj h HIS 35 CO 0.04 0.99 0.38 0.95 0.86 0.00 0.00 177.93 181.15 2yrj s THR 36 N -2.28 3.42 0.36 2.45 -4.23 -0.63 -4.94 115.64 109.79 2yrj s THR 36 Ca -0.19 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2yrj s THR 36 Cb -0.03 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2yrj s THR 36 CO 0.69 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2yrj n GLY 37 N -0.64 -1.30 2.51 3.99 0.00 -1.26 -4.79 105.19 103.70 2yrj n GLY 37 Ca 0.10 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.30 -3.97 -3.16 1.61 2.13 -1.26 -5.02 120.64 107.66 2yrj n GLU 38 Ca 0.00 0.43 -0.34 0.00 0.66 0.00 0.00 57.16 57.91 2yrj n GLU 38 Cb 0.00 -4.24 -0.06 0.00 0.27 0.00 0.00 31.44 27.41 2yrj n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2yrj s LYS 39 N -5.49 4.05 -0.54 5.31 3.01 -1.26 -5.00 119.74 119.83 2yrj s LYS 39 Ca 0.25 0.68 -0.27 0.00 -1.01 0.00 0.00 55.97 55.62 2yrj s LYS 39 Cb -0.11 -2.60 -0.02 0.00 -1.01 0.00 0.00 37.83 34.10 2yrj s LYS 39 CO 0.37 0.25 1.82 -1.25 0.51 0.00 0.00 175.35 177.05 2yrj s PRO 40 N -2.64 2.85 0.22 -1.68 0.04 -1.26 -4.97 135.00 127.55 2yrj s PRO 40 Ca 0.50 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 2yrj s PRO 40 Cb -0.12 -4.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.01 2yrj s PRO 40 CO 0.19 -2.46 0.98 0.45 0.04 0.00 0.00 177.00 176.19 2yrj s SER 41 N 7.37 7.54 0.00 6.66 0.15 -1.26 -5.02 113.70 129.15 2yrj s SER 41 Ca 0.70 1.97 0.00 0.00 0.70 0.00 0.00 55.95 59.32 2yrj s SER 41 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2yrj s SER 41 CO 0.24 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2yrj n GLY 42 N 1.63 0.12 3.77 9.45 0.00 -1.26 -5.05 105.19 113.85 2yrj n GLY 42 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 0.53 3.74 -0.53 1.61 0.04 -1.26 -4.87 135.00 134.27 2yrj s PRO 43 Ca 0.00 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.49 2yrj s PRO 43 Cb 0.00 -2.39 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 2yrj s PRO 43 CO 0.00 -0.56 2.37 0.43 0.04 0.00 0.00 177.00 179.28 2yrj n SER 44 N -0.52 1.83 -4.57 6.66 7.64 -1.26 -4.85 113.62 118.54 2yrj n SER 44 Ca 0.07 0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 2yrj n SER 44 Cb 0.48 -1.30 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2yrj n SER 44 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yrj n SER 45 N 11.91 0.92 0.00 6.43 3.41 -1.26 -5.30 113.62 129.73 2yrj n SER 45 Ca 0.45 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 60.14 2yrj n SER 45 Cb 0.29 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49