#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 2.99 -0.23 1.61 0.01 -1.26 -5.14 113.70 111.68 2yrj s SER 2 Ca 0.00 -1.57 -0.03 0.00 1.31 0.00 0.00 55.95 55.66 2yrj s SER 2 Cb 0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2yrj s SER 2 CO 0.00 -0.79 -0.04 -0.44 0.41 0.00 0.00 173.24 172.37 2yrj s SER 3 N -3.63 4.31 0.00 2.44 0.01 -1.26 -5.07 113.70 110.51 2yrj s SER 3 Ca 0.25 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2yrj s SER 3 Cb 0.05 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2yrj s SER 3 CO 0.13 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2yrj n GLY 4 N 4.76 0.56 3.03 3.44 0.00 -1.26 -5.04 105.19 110.68 2yrj n GLY 4 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2yrj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrj s SER 5 N -0.73 4.79 0.08 1.61 0.15 -1.26 -5.05 113.70 113.28 2yrj s SER 5 Ca 0.00 -2.48 -0.26 0.00 0.70 0.00 0.00 55.95 53.91 2yrj s SER 5 Cb 0.00 -1.70 0.09 0.00 -1.71 0.00 0.00 66.02 62.70 2yrj s SER 5 CO 0.00 -0.37 1.15 -0.94 1.20 0.00 0.00 173.24 174.29 2yrj s SER 6 N 0.69 -0.04 0.00 5.45 1.04 -1.26 -5.02 113.70 114.57 2yrj s SER 6 Ca 0.13 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2yrj s SER 6 Cb -0.22 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2yrj s SER 6 CO -0.04 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2yrj n GLY 7 N -0.67 2.00 3.30 7.32 0.00 -1.26 -4.90 105.19 110.98 2yrj n GLY 7 Ca -0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 1.78 0.00 2.61 2.01 -1.26 -5.15 115.64 115.63 2yrj s THR 8 Ca 0.00 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.42 2yrj s THR 8 Cb 0.00 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.89 2yrj s THR 8 CO 0.00 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2yrj n GLY 9 N 1.05 0.41 3.47 4.40 0.00 -1.26 -5.10 105.19 108.16 2yrj n GLY 9 Ca -0.19 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 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 0.31 1.73 -0.40 1.61 2.02 -1.26 -5.10 118.70 117.61 2yrj s GLU 10 Ca 0.00 -1.99 -0.12 0.00 0.02 0.00 0.00 54.97 52.88 2yrj s GLU 10 Cb 0.00 -0.83 0.04 0.00 0.10 0.00 0.00 34.13 33.44 2yrj s GLU 10 CO 0.00 -0.26 0.25 0.15 0.02 0.00 0.00 175.26 175.42 2yrj s LYS 11 N -3.86 2.83 0.27 1.61 1.02 -1.26 -4.79 119.74 115.57 2yrj s LYS 11 Ca 0.33 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2yrj s LYS 11 Cb 0.07 -3.83 0.38 0.00 -0.52 0.00 0.00 37.83 33.94 2yrj s LYS 11 CO 0.15 -0.78 1.66 -1.00 -0.92 0.00 0.00 175.35 174.46 2yrj h PRO 12 N 8.50 0.26 -6.00 -1.68 0.13 -1.87 -3.43 132.00 127.92 2yrj h PRO 12 Ca -0.26 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.16 2yrj h PRO 12 Cb 1.10 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 2yrj h PRO 12 CO 0.71 0.67 0.50 0.71 -0.23 0.00 0.00 178.00 180.37 2yrj s TYR 13 N -4.05 3.41 -0.12 1.56 1.51 -1.24 -5.01 117.35 113.40 2yrj s TYR 13 Ca -0.05 1.33 -0.00 0.00 -1.01 0.00 0.00 57.07 57.34 2yrj s TYR 13 Cb 0.13 -3.09 0.03 0.00 -0.11 0.00 0.00 41.96 38.91 2yrj s TYR 13 CO 0.78 -0.30 -0.08 0.50 -1.11 0.00 0.00 175.55 175.35 2yrj s ARG 14 N 2.39 1.56 0.75 -0.62 3.52 -1.26 -1.61 118.95 123.69 2yrj s ARG 14 Ca 0.40 -0.31 -0.16 0.00 -0.13 0.00 0.00 55.73 55.53 2yrj s ARG 14 Cb -0.16 -1.68 -0.06 0.00 -1.56 0.00 0.00 34.95 31.48 2yrj s ARG 14 CO 0.12 -0.29 0.22 0.00 -0.81 0.00 0.00 175.30 174.54 2yrj n GLY 16 N 2.03 -0.82 0.12 0.00 0.00 -1.26 -3.31 105.19 101.95 2yrj n GLY 16 Ca 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.29 0.07 1.61 4.57 -1.99 -3.39 114.58 115.16 2yrj h GLU 17 Ca -0.54 0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.31 2yrj h GLU 17 Cb 2.14 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.76 2yrj h GLU 17 CO 0.00 -0.19 -1.94 0.00 -1.18 0.00 0.00 179.01 175.69 2yrj n GLY 19 N 1.84 1.74 1.99 0.00 0.00 -1.21 -5.05 105.19 104.51 2yrj n GLY 19 Ca -0.36 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.33 -3.46 -3.73 1.61 5.02 -1.26 -4.46 118.16 111.55 2yrj n LYS 20 Ca 0.00 -0.94 -0.10 0.00 -2.02 0.00 0.00 58.31 55.25 2yrj n LYS 20 Cb 0.00 -1.13 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 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 -2.28 -0.64 -0.19 7.82 0.00 -1.26 -0.11 121.76 125.09 2yrj s ALA 21 Ca 0.42 -0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 2yrj s ALA 21 Cb -0.07 0.57 0.07 0.00 0.00 0.00 0.00 23.12 23.70 2yrj s ALA 21 CO 0.34 -0.57 0.70 -0.06 0.00 0.00 0.00 175.76 176.17 2yrj s PHE 22 N -3.68 -0.74 0.23 0.00 0.40 -0.63 -4.96 117.98 108.60 2yrj s PHE 22 Ca 0.03 1.63 -0.03 0.00 -0.60 0.00 0.00 56.93 57.96 2yrj s PHE 22 Cb 0.03 0.31 0.25 0.00 0.51 0.00 0.00 43.02 44.12 2yrj s PHE 22 CO -0.11 -0.46 1.66 0.00 0.70 0.00 0.00 175.22 177.02 2yrj h ALA 23 N 4.32 0.94 -4.38 5.36 0.00 -1.87 -3.31 119.26 120.32 2yrj h ALA 23 Ca -0.28 -0.36 -0.70 0.00 0.00 0.00 0.00 54.91 53.57 2yrj h ALA 23 Cb 1.15 -0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.52 2yrj h ALA 23 CO 0.17 0.61 -0.88 -0.65 0.00 0.00 0.00 179.25 178.50 2yrj s GLN 24 N -4.60 1.90 0.11 0.00 1.11 -1.26 -4.78 119.66 112.13 2yrj s GLN 24 Ca -0.09 -1.06 -0.24 0.00 0.01 0.00 0.00 55.36 53.99 2yrj s GLN 24 Cb 0.13 -2.00 -0.09 0.00 -1.01 0.00 0.00 33.01 30.04 2yrj s GLN 24 CO 0.82 0.53 1.69 0.87 0.01 0.00 0.00 175.29 179.21 2yrj h LYS 25 N 4.98 -0.21 -1.59 2.91 1.79 -1.99 -1.76 116.57 120.69 2yrj h LYS 25 Ca -0.46 0.01 0.50 0.00 -2.18 0.00 0.00 60.65 58.53 2yrj h LYS 25 Cb 1.14 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 31.73 2yrj h LYS 25 CO 0.45 -0.14 1.09 0.00 -1.08 0.00 0.00 179.45 179.76 2yrj h ALA 26 N 0.72 3.23 0.06 3.86 0.00 -1.98 1.99 119.26 127.14 2yrj h ALA 26 Ca 0.04 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2yrj h ALA 26 Cb 0.26 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2yrj h ALA 26 CO -0.11 -1.84 -1.06 -0.97 0.00 0.00 0.00 179.25 175.27 2yrj h ASN 27 N 0.03 0.39 0.04 0.00 -0.73 -1.74 -3.18 115.58 110.38 2yrj h ASN 27 Ca 0.87 -0.36 -0.00 0.00 1.87 0.00 0.00 56.30 58.68 2yrj h ASN 27 Cb 3.11 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 41.57 2yrj h ASN 27 CO -0.25 1.22 -0.02 0.25 -0.37 0.00 0.00 177.43 178.26 2yrj h LEU 28 N 0.12 -0.05 -0.97 0.34 5.85 0.31 -3.05 115.31 117.86 2yrj h LEU 28 Ca -0.09 -0.51 0.29 0.00 0.84 0.00 0.00 57.88 58.40 2yrj h LEU 28 Cb 1.74 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.64 2yrj h LEU 28 CO 0.17 0.68 0.49 0.74 -0.34 0.00 0.00 178.44 180.18 2yrj h THR 29 N -0.96 0.34 0.00 1.05 2.02 -0.40 1.08 112.91 116.04 2yrj h THR 29 Ca -0.01 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 2yrj h THR 29 Cb 0.56 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2yrj h THR 29 CO 0.01 0.06 -0.48 0.06 0.37 0.00 0.00 175.52 175.54 2yrj h GLN 30 N 0.34 0.00 -0.29 6.66 3.07 -1.65 -3.11 115.11 120.12 2yrj h GLN 30 Ca 0.67 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.28 2yrj h GLN 30 Cb 1.45 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.01 2yrj h GLN 30 CO -0.60 0.48 -0.32 1.25 0.09 0.00 0.00 178.83 179.74 2yrj h HIS 31 N 0.00 0.89 -0.57 0.06 2.76 0.13 -2.96 115.15 115.45 2yrj h HIS 31 Ca -0.00 -0.27 0.16 0.00 -2.20 0.00 0.00 60.37 58.06 2yrj h HIS 31 Cb 0.93 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 2yrj h HIS 31 CO 0.00 1.03 0.45 1.96 -1.30 0.00 0.00 177.93 180.07 2yrj h GLN 32 N 0.49 0.00 -1.05 5.26 4.20 -1.15 -0.36 115.11 122.51 2yrj h GLN 32 Ca 0.04 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.06 2yrj h GLN 32 Cb 0.90 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 2yrj h GLN 32 CO 0.08 0.00 0.80 0.00 -0.67 0.00 0.00 178.83 179.04 2yrj h ARG 33 N 0.00 0.00 -0.07 1.46 2.47 -1.59 0.86 114.38 117.52 2yrj h ARG 33 Ca 0.27 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.88 2yrj h ARG 33 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 2yrj h ARG 33 CO -0.00 0.00 -0.48 -0.84 0.56 0.00 0.00 179.97 179.21 2yrj h ILE 34 N 0.00 1.34 0.03 2.04 3.07 -1.26 -3.28 117.51 119.45 2yrj h ILE 34 Ca 0.50 -1.67 -0.19 0.00 1.55 0.00 0.00 64.86 65.05 2yrj h ILE 34 Cb 2.09 1.82 -0.02 0.00 -0.27 0.00 0.00 36.82 40.44 2yrj h ILE 34 CO -0.01 0.49 -0.99 0.45 -1.05 0.00 0.00 178.15 177.05 2yrj h HIS 35 N 0.14 0.11 -2.93 0.16 3.86 0.48 -3.34 115.15 113.62 2yrj h HIS 35 Ca 0.01 -0.08 -0.57 0.00 -1.16 0.00 0.00 60.37 58.57 2yrj h HIS 35 Cb 0.90 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.33 2yrj h HIS 35 CO 0.01 1.39 1.13 0.95 0.86 0.00 0.00 177.93 182.27 2yrj s THR 36 N -2.36 3.76 0.00 2.45 -4.23 0.07 -4.37 115.64 110.96 2yrj s THR 36 Ca -0.24 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2yrj s THR 36 Cb 0.03 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2yrj s THR 36 CO 0.66 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 2yrj n GLY 37 N 4.92 1.38 3.21 3.99 0.00 -1.26 -4.76 105.19 112.67 2yrj n GLY 37 Ca 0.19 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 2.55 -0.05 1.61 2.02 -1.26 -5.10 118.70 118.47 2yrj s GLU 38 Ca 0.00 -1.20 -0.12 0.00 0.02 0.00 0.00 54.97 53.67 2yrj s GLU 38 Cb 0.00 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 2yrj s GLU 38 CO 0.00 -0.60 0.30 0.21 0.02 0.00 0.00 175.26 175.19 2yrj s LYS 39 N 1.31 3.76 1.20 1.61 2.20 -1.25 -4.68 119.74 123.88 2yrj s LYS 39 Ca -0.04 0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.58 2yrj s LYS 39 Cb -0.19 -3.22 0.28 0.00 -1.51 0.00 0.00 37.83 33.19 2yrj s LYS 39 CO -0.00 0.70 1.11 -1.25 -0.36 0.00 0.00 175.35 175.55 2yrj s PRO 40 N -0.98 -1.19 -0.72 4.03 0.04 -1.26 -4.96 135.00 129.95 2yrj s PRO 40 Ca 0.20 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 60.99 2yrj s PRO 40 Cb -0.15 -1.60 0.11 0.00 0.04 0.00 0.00 34.50 32.91 2yrj s PRO 40 CO 0.09 -3.69 0.89 -1.12 0.04 0.00 0.00 177.00 173.22 2yrj s SER 41 N -3.89 6.35 -0.25 6.66 0.01 -1.26 -4.67 113.70 116.66 2yrj s SER 41 Ca 0.71 -1.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.28 2yrj s SER 41 Cb -0.10 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2yrj s SER 41 CO 0.56 -1.14 0.19 0.61 0.41 0.00 0.00 173.24 173.88 2yrj n GLY 42 N 5.24 -1.77 0.23 3.44 0.00 -1.26 -4.87 105.19 106.20 2yrj n GLY 42 Ca 0.03 0.54 0.11 0.00 0.00 0.00 0.00 46.02 46.70 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 2.93 0.00 -4.06 1.61 0.13 -2.01 -3.41 132.00 127.19 2yrj h PRO 43 Ca -0.08 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.51 2yrj h PRO 43 Cb 0.70 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.45 2yrj h PRO 43 CO 0.10 0.20 -0.79 0.45 -0.23 0.00 0.00 178.00 177.74 2yrj s SER 44 N -6.17 2.74 -0.72 1.44 0.15 -1.26 -5.01 113.70 104.87 2yrj s SER 44 Ca -0.00 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 55.99 2yrj s SER 44 Cb 0.11 -0.84 0.42 0.00 -1.71 0.00 0.00 66.02 63.99 2yrj s SER 44 CO 0.62 -0.20 2.04 -0.24 1.20 0.00 0.00 173.24 176.66 2yrj n SER 45 N 4.91 7.65 0.00 5.45 2.88 -1.26 -5.23 113.62 128.02 2yrj n SER 45 Ca -0.11 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 2yrj n SER 45 Cb 0.48 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42