#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 1.92 -4.75 1.61 2.88 -1.26 -4.96 113.62 109.07 2yrj n SER 2 Ca 0.00 0.38 -0.40 0.00 -1.33 0.00 0.00 58.87 57.52 2yrj n SER 2 Cb 0.00 -0.81 -0.05 0.00 -0.75 0.00 0.00 64.21 62.60 2yrj n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yrj s SER 3 N -6.64 7.45 0.00 -3.46 0.01 -1.26 -4.91 113.70 104.88 2yrj s SER 3 Ca -0.31 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2yrj s SER 3 Cb 0.08 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2yrj s SER 3 CO 0.45 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2yrj n GLY 4 N 1.40 -0.83 3.80 3.44 0.00 -1.26 -5.15 105.19 106.59 2yrj n GLY 4 Ca -0.01 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 7.01 0.15 1.61 1.04 -1.26 -5.08 113.70 117.17 2yrj s SER 5 Ca 0.00 1.20 -0.01 0.00 0.48 0.00 0.00 55.95 57.62 2yrj s SER 5 Cb 0.00 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 2yrj s SER 5 CO 0.00 0.25 0.07 -0.94 0.98 0.00 0.00 173.24 173.60 2yrj s SER 6 N -0.94 0.27 0.00 7.02 1.04 -1.26 -5.15 113.70 114.69 2yrj s SER 6 Ca 0.29 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2yrj s SER 6 Cb -0.19 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2yrj s SER 6 CO 0.18 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2yrj n GLY 7 N -0.13 0.64 0.28 7.32 0.00 -1.26 -4.90 105.19 107.12 2yrj n GLY 7 Ca -0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 2yrj n GLY 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2yrj h THR 8 N 0.00 1.10 0.00 2.61 1.35 -2.08 -3.48 112.91 112.41 2yrj h THR 8 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2yrj h THR 8 Cb 0.00 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2yrj h THR 8 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2yrj n GLY 9 N -1.29 2.12 3.70 5.82 0.00 -1.26 -5.15 105.19 109.12 2yrj n GLY 9 Ca 0.08 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.99 0.47 -0.34 1.61 8.01 -1.26 -4.95 118.70 120.25 2yrj s GLU 10 Ca 0.00 0.43 -0.05 0.00 0.01 0.00 0.00 54.97 55.36 2yrj s GLU 10 Cb 0.00 -1.75 0.05 0.00 -4.31 0.00 0.00 34.13 28.12 2yrj s GLU 10 CO 0.00 -2.68 0.09 0.15 0.01 0.00 0.00 175.26 172.82 2yrj s LYS 11 N -5.05 2.49 0.29 1.61 1.02 -1.26 -4.73 119.74 114.12 2yrj s LYS 11 Ca 0.65 -1.29 0.07 0.00 0.02 0.00 0.00 55.97 55.43 2yrj s LYS 11 Cb -0.18 -3.39 0.44 0.00 -0.52 0.00 0.00 37.83 34.18 2yrj s LYS 11 CO 0.57 -0.70 1.68 -1.00 -0.92 0.00 0.00 175.35 174.97 2yrj h PRO 12 N 8.14 0.18 -5.92 -1.68 0.13 -1.86 -3.43 132.00 127.54 2yrj h PRO 12 Ca -0.21 -0.09 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 2yrj h PRO 12 Cb 1.07 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 2yrj h PRO 12 CO 0.60 0.61 0.38 0.71 -0.23 0.00 0.00 178.00 180.07 2yrj s TYR 13 N -4.00 3.41 -0.11 1.56 1.51 -1.24 -5.01 117.35 113.47 2yrj s TYR 13 Ca -0.04 1.23 0.00 0.00 -1.01 0.00 0.00 57.07 57.26 2yrj s TYR 13 Cb 0.13 -3.01 0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2yrj s TYR 13 CO 0.77 -0.25 -0.09 0.50 -1.11 0.00 0.00 175.55 175.37 2yrj s ARG 14 N 2.17 1.66 0.70 -0.62 3.52 -1.26 -1.44 118.95 123.69 2yrj s ARG 14 Ca 0.38 -0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 2yrj s ARG 14 Cb -0.16 -1.62 -0.06 0.00 -1.56 0.00 0.00 34.95 31.54 2yrj s ARG 14 CO 0.12 -0.21 0.42 0.00 -0.81 0.00 0.00 175.30 174.82 2yrj n GLY 16 N 1.81 -0.89 0.07 0.00 0.00 -1.26 -3.25 105.19 101.67 2yrj n GLY 16 Ca 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.17 0.06 1.61 4.57 -1.99 -3.39 114.58 115.28 2yrj h GLU 17 Ca -0.53 0.01 -0.33 0.00 -1.18 0.00 0.00 59.36 57.33 2yrj h GLU 17 Cb 2.17 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.77 2yrj h GLU 17 CO 0.02 -0.11 -1.84 0.00 -1.18 0.00 0.00 179.01 175.90 2yrj n GLY 19 N 1.78 1.78 1.65 0.00 0.00 -1.20 -5.05 105.19 104.15 2yrj n GLY 19 Ca -0.35 0.00 -0.16 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 -0.13 -3.26 -3.70 1.61 5.02 -1.26 -4.43 118.16 112.01 2yrj n LYS 20 Ca 0.00 -0.77 -0.10 0.00 -2.02 0.00 0.00 58.31 55.42 2yrj n LYS 20 Cb 0.00 -0.95 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.21 -0.73 -0.21 7.82 0.00 -1.26 0.08 121.76 125.24 2yrj s ALA 21 Ca 0.35 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 2yrj s ALA 21 Cb -0.06 0.61 0.07 0.00 0.00 0.00 0.00 23.12 23.74 2yrj s ALA 21 CO 0.29 -0.59 0.69 -0.06 0.00 0.00 0.00 175.76 176.08 2yrj s PHE 22 N -3.73 -0.73 0.33 0.00 0.40 -0.52 -4.95 117.98 108.78 2yrj s PHE 22 Ca 0.03 1.67 0.04 0.00 -0.60 0.00 0.00 56.93 58.07 2yrj s PHE 22 Cb 0.02 0.29 0.59 0.00 0.51 0.00 0.00 43.02 44.43 2yrj s PHE 22 CO -0.11 -0.42 1.87 0.00 0.70 0.00 0.00 175.22 177.25 2yrj h ALA 23 N 4.56 1.35 -2.73 5.36 0.00 -1.87 -3.30 119.26 122.63 2yrj h ALA 23 Ca -0.28 -0.21 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 2yrj h ALA 23 Cb 1.16 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.63 2yrj h ALA 23 CO 0.14 0.45 -0.79 -0.65 0.00 0.00 0.00 179.25 178.40 2yrj s GLN 24 N -4.96 1.58 -0.02 0.00 -0.21 -1.26 -4.77 119.66 110.02 2yrj s GLN 24 Ca -0.08 -1.63 -0.24 0.00 0.02 0.00 0.00 55.36 53.43 2yrj s GLN 24 Cb 0.15 -1.79 -0.18 0.00 1.00 0.00 0.00 33.01 32.20 2yrj s GLN 24 CO 0.77 0.36 1.15 0.87 -2.12 0.00 0.00 175.29 176.32 2yrj h LYS 25 N 2.78 -0.18 -1.53 2.91 1.79 -1.99 -3.07 116.57 117.27 2yrj h LYS 25 Ca -0.43 0.01 0.47 0.00 -2.18 0.00 0.00 60.65 58.52 2yrj h LYS 25 Cb 1.23 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 2yrj h LYS 25 CO 0.54 0.23 1.05 0.00 -1.08 0.00 0.00 179.45 180.19 2yrj h ALA 26 N 0.06 3.19 0.00 3.86 0.00 -1.98 1.67 119.26 126.06 2yrj h ALA 26 Ca -0.02 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 2yrj h ALA 26 Cb 0.50 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2yrj h ALA 26 CO 0.03 -1.75 -0.93 -0.97 0.00 0.00 0.00 179.25 175.63 2yrj h ASN 27 N 0.05 0.47 0.01 0.00 -0.00 -1.96 -3.04 115.58 111.12 2yrj h ASN 27 Ca 0.83 -0.38 -0.00 0.00 -0.00 0.00 0.00 56.30 56.74 2yrj h ASN 27 Cb 2.95 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 41.12 2yrj h ASN 27 CO -0.22 1.18 -0.01 0.25 -0.00 0.00 0.00 177.43 178.64 2yrj h LEU 28 N 0.20 -0.02 -0.95 0.34 5.85 0.23 -3.03 115.31 117.94 2yrj h LEU 28 Ca -0.07 -0.78 0.21 0.00 0.84 0.00 0.00 57.88 58.08 2yrj h LEU 28 Cb 1.57 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.49 2yrj h LEU 28 CO 0.16 0.82 0.53 0.74 -0.34 0.00 0.00 178.44 180.34 2yrj h THR 29 N -0.90 0.60 0.00 1.05 2.02 -0.54 0.57 112.91 115.72 2yrj h THR 29 Ca -0.00 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2yrj h THR 29 Cb 0.79 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2yrj h THR 29 CO 0.00 0.11 -0.31 0.06 0.37 0.00 0.00 175.52 175.75 2yrj h GLN 30 N 0.60 0.00 -0.05 6.66 3.07 -1.62 -3.15 115.11 120.62 2yrj h GLN 30 Ca 0.58 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.21 2yrj h GLN 30 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.56 2yrj h GLN 30 CO -0.44 0.31 -0.40 1.25 0.09 0.00 0.00 178.83 179.64 2yrj h HIS 31 N 0.00 0.51 -0.96 0.06 2.76 0.20 -3.19 115.15 114.53 2yrj h HIS 31 Ca -0.00 -0.24 0.25 0.00 -2.20 0.00 0.00 60.37 58.18 2yrj h HIS 31 Cb 0.80 -0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 2yrj h HIS 31 CO 0.00 1.01 0.66 1.96 -1.30 0.00 0.00 177.93 180.25 2yrj h GLN 32 N -0.13 0.21 -0.92 5.26 4.20 -1.12 0.16 115.11 122.77 2yrj h GLN 32 Ca -0.04 -0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.93 2yrj h GLN 32 Cb 1.08 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 2yrj h GLN 32 CO 0.08 0.14 0.75 0.00 -0.67 0.00 0.00 178.83 179.13 2yrj h ARG 33 N 0.21 0.00 -0.44 1.46 3.08 -1.60 0.51 114.38 117.61 2yrj h ARG 33 Ca 0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.49 2yrj h ARG 33 Cb 1.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 2yrj h ARG 33 CO -0.12 0.00 0.07 -0.84 -1.07 0.00 0.00 179.97 178.01 2yrj h ILE 34 N 0.00 1.21 0.00 2.04 3.07 -0.87 -3.01 117.51 119.95 2yrj h ILE 34 Ca 0.44 -0.77 -0.00 0.00 1.55 0.00 0.00 64.86 66.08 2yrj h ILE 34 Cb 1.92 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 2yrj h ILE 34 CO -0.00 0.28 -0.00 0.45 -1.05 0.00 0.00 178.15 177.82 2yrj h HIS 35 N 0.65 -0.00 -0.99 0.16 3.86 -0.16 -3.33 115.15 115.34 2yrj h HIS 35 Ca 0.14 -0.00 0.34 0.00 -1.16 0.00 0.00 60.37 59.69 2yrj h HIS 35 Cb 0.29 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.58 2yrj h HIS 35 CO 0.01 0.97 0.27 1.79 0.86 0.00 0.00 177.93 181.83 2yrj h THR 36 N -0.99 0.02 -0.30 2.45 1.35 -1.39 -3.39 112.91 110.67 2yrj h THR 36 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2yrj h THR 36 Cb 0.97 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2yrj h THR 36 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2yrj n GLY 37 N -1.39 -2.90 3.08 5.82 0.00 -1.14 -5.07 105.19 103.60 2yrj n GLY 37 Ca 0.30 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.24 0.47 0.03 1.61 2.02 -1.26 -5.07 118.70 116.26 2yrj s GLU 38 Ca 0.00 0.84 -0.03 0.00 0.02 0.00 0.00 54.97 55.80 2yrj s GLU 38 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 2yrj s GLU 38 CO 0.00 -0.60 0.24 -1.59 0.02 0.00 0.00 175.26 173.33 2yrj s LYS 39 N 2.73 3.50 0.71 1.61 -2.85 -1.26 -5.09 119.74 119.08 2yrj s LYS 39 Ca 0.16 -0.25 -0.13 0.00 -1.00 0.00 0.00 55.97 54.74 2yrj s LYS 39 Cb -0.15 -3.05 0.03 0.00 -2.06 0.00 0.00 37.83 32.60 2yrj s LYS 39 CO -0.19 0.63 1.10 -1.25 0.10 0.00 0.00 175.35 175.74 2yrj s PRO 40 N -2.11 2.56 -1.05 1.78 0.04 -1.26 -3.84 135.00 131.11 2yrj s PRO 40 Ca 0.31 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 2yrj s PRO 40 Cb -0.13 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2yrj s PRO 40 CO 0.21 -1.43 0.92 0.45 0.04 0.00 0.00 177.00 177.19 2yrj n SER 41 N -2.91 -5.04 -3.50 6.66 2.88 -1.26 -5.02 113.62 105.43 2yrj n SER 41 Ca 0.10 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 2yrj n SER 41 Cb 0.52 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 2yrj n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrj n GLY 42 N -1.62 -1.82 3.73 0.46 0.00 -1.25 -5.01 105.19 99.68 2yrj n GLY 42 Ca -0.02 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 1.55 0.03 1.61 0.04 -1.26 -4.99 135.00 131.98 2yrj s PRO 43 Ca 0.00 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 2yrj s PRO 43 Cb 0.00 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.54 2yrj s PRO 43 CO 0.00 -2.07 1.38 0.77 0.04 0.00 0.00 177.00 177.12 2yrj h SER 44 N -1.43 -0.41 -1.01 6.66 0.02 -2.06 -3.45 113.55 111.87 2yrj h SER 44 Ca -0.48 -0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 59.79 2yrj h SER 44 Cb 1.27 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.85 2yrj h SER 44 CO 0.54 -0.12 -0.40 -0.44 -1.14 0.00 0.00 176.83 175.26 2yrj s SER 45 N -4.93 4.55 0.00 3.07 0.01 -1.26 -5.26 113.70 109.87 2yrj s SER 45 Ca -0.15 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2yrj s SER 45 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2yrj s SER 45 CO 0.57 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.01