#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0b s SER 2 N 0.00 5.75 0.94 1.61 0.01 -1.26 -5.08 113.70 115.67 2k0b s SER 2 Ca 0.00 -2.06 -0.14 0.00 1.31 0.00 0.00 55.95 55.06 2k0b s SER 2 Cb 0.00 -2.01 0.21 0.00 0.21 0.00 0.00 66.02 64.42 2k0b s SER 2 CO 0.00 -0.66 1.29 -2.16 0.41 0.00 0.00 173.24 172.12 2k0b s PRO 3 N 1.14 0.63 0.18 12.44 0.05 -1.26 -4.97 135.00 143.20 2k0b s PRO 3 Ca 0.08 -0.63 -0.33 0.00 0.05 0.00 0.00 61.00 60.17 2k0b s PRO 3 Cb -0.24 -1.92 -0.16 0.00 0.05 0.00 0.00 34.50 32.23 2k0b s PRO 3 CO -0.02 -2.37 1.18 -2.30 0.05 0.00 0.00 177.00 173.55 2k0b n PRO 4 N -3.66 1.22 -2.51 0.56 -0.02 -1.26 -4.83 135.00 124.50 2k0b n PRO 4 Ca 0.16 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 2k0b n PRO 4 Cb 0.59 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 2k0b n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2k0b s GLU 5 N -0.37 3.56 0.00 -0.52 2.12 -1.26 -1.83 118.70 120.40 2k0b s GLU 5 Ca 0.73 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.58 2k0b s GLU 5 Cb -0.84 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 29.55 2k0b s GLU 5 CO 0.52 -1.61 0.00 0.00 -0.54 0.00 0.00 175.26 173.63 2k0b n ALA 6 N 8.52 -0.02 -2.38 6.30 0.00 -1.26 -5.04 120.51 126.63 2k0b n ALA 6 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 2k0b n ALA 6 Cb 0.49 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2k0b n ALA 6 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0b s ASP 7 N -3.00 7.45 0.60 0.00 2.15 -0.76 -4.65 116.67 118.47 2k0b s ASP 7 Ca 0.00 1.75 0.31 0.00 0.43 0.00 0.00 52.55 55.04 2k0b s ASP 7 Cb 0.00 -2.58 1.09 0.00 -0.30 0.00 0.00 42.92 41.13 2k0b s ASP 7 CO 0.00 -0.11 1.37 -0.65 -0.17 0.00 0.00 175.17 175.61 2k0b h PRO 8 N 5.89 0.00 0.12 4.34 0.11 -1.96 0.96 132.00 141.46 2k0b h PRO 8 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 2k0b h PRO 8 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k0b h PRO 8 CO 0.73 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.46 2k0b h ARG 9 N 0.00 -0.15 0.00 1.05 3.08 -1.96 -3.31 114.38 113.09 2k0b h ARG 9 Ca 0.57 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.50 2k0b h ARG 9 Cb 3.03 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 33.09 2k0b h ARG 9 CO -0.01 0.33 -1.77 1.28 -1.07 0.00 0.00 179.97 178.74 2k0b n LEU 10 N -4.89 0.37 0.25 3.04 4.32 0.19 -2.58 117.00 117.70 2k0b n LEU 10 Ca -0.08 0.16 0.09 0.00 -0.02 0.00 0.00 56.01 56.16 2k0b n LEU 10 Cb 0.28 0.12 0.65 0.00 -1.62 0.00 0.00 43.42 42.84 2k0b n LEU 10 CO 0.28 0.12 0.98 -0.29 -1.22 0.00 0.00 177.39 177.26 2k0b h ILE 11 N 0.00 0.88 0.00 -0.08 -0.00 0.43 0.92 117.51 119.66 2k0b h ILE 11 Ca -0.16 -0.40 -0.07 0.00 -0.00 0.00 0.00 64.86 64.23 2k0b h ILE 11 Cb 1.43 1.23 -0.01 0.00 -0.00 0.00 0.00 36.82 39.47 2k0b h ILE 11 CO 0.02 0.11 -1.51 -0.62 -0.00 0.00 0.00 178.15 176.15 2k0b n GLU 12 N -4.12 0.63 -0.08 2.19 1.02 -1.25 -3.16 120.64 115.87 2k0b n GLU 12 Ca -0.02 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 2k0b n GLU 12 Cb 0.19 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 2k0b n GLU 12 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k0b n SER 13 N -2.60 1.72 -0.03 1.62 2.88 -0.28 -4.50 113.62 112.42 2k0b n SER 13 Ca -0.06 0.34 -0.21 0.00 -1.33 0.00 0.00 58.87 57.61 2k0b n SER 13 Cb 0.67 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 63.26 2k0b n SER 13 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2k0b n LEU 14 N -4.28 2.70 0.23 2.46 0.00 0.26 -4.24 117.00 114.14 2k0b n LEU 14 Ca -0.12 0.13 0.08 0.00 0.00 0.00 0.00 56.01 56.11 2k0b n LEU 14 Cb 0.43 -1.07 0.54 0.00 0.00 0.00 0.00 43.42 43.33 2k0b n LEU 14 CO 0.17 0.86 0.86 0.28 0.00 0.00 0.00 177.39 179.57 2k0b h SER 15 N 0.03 0.00 0.45 1.96 0.02 -0.00 0.12 113.55 116.13 2k0b h SER 15 Ca -0.46 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 2k0b h SER 15 Cb 1.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.51 2k0b h SER 15 CO 0.04 0.22 -0.46 0.06 -1.14 0.00 0.00 176.83 175.55 2k0b h GLN 16 N 0.00 0.02 0.01 3.45 -0.00 -1.72 -3.13 115.11 113.74 2k0b h GLN 16 Ca -0.00 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.65 58.28 2k0b h GLN 16 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.92 2k0b h GLN 16 CO 0.03 0.48 -2.19 0.00 -0.00 0.00 0.00 178.83 177.15 2k0b n MET 17 N -3.99 0.68 -0.25 0.06 0.00 -0.99 -3.86 117.12 108.76 2k0b n MET 17 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 57.70 57.83 2k0b n MET 17 Cb 0.49 -1.61 0.14 0.00 0.00 0.00 0.00 33.22 32.23 2k0b n MET 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2k0b h LEU 18 N 0.01 0.52 -2.58 3.17 5.85 -0.77 -0.07 115.31 121.44 2k0b h LEU 18 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2k0b h LEU 18 Cb 2.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.09 2k0b h LEU 18 CO 0.03 0.31 0.00 -1.54 -0.34 0.00 0.00 178.44 176.89 2k0b n SER 19 N -4.82 3.76 -0.00 1.25 3.41 -1.19 -4.27 113.62 111.76 2k0b n SER 19 Ca 0.11 -2.00 0.05 0.00 -0.26 0.00 0.00 58.87 56.77 2k0b n SER 19 Cb 0.26 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 2k0b n SER 19 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2k0b n MET 20 N 1.56 2.89 0.00 4.33 0.00 -0.77 -4.99 117.12 120.14 2k0b n MET 20 Ca 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 57.70 57.91 2k0b n MET 20 Cb 0.60 -1.02 0.00 0.00 0.00 0.00 0.00 33.22 32.79 2k0b n MET 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k0b n GLY 21 N 1.43 1.75 3.60 -5.12 0.00 -1.04 -5.06 105.19 100.75 2k0b n GLY 21 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2k0b n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k0b s PHE 22 N -2.00 2.51 0.00 1.61 0.08 -0.11 -5.06 117.98 115.01 2k0b s PHE 22 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2k0b s PHE 22 Cb 0.00 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2k0b s PHE 22 CO 0.00 0.56 0.00 0.43 -0.10 0.00 0.00 175.22 176.11 2k0b n SER 23 N -0.87 2.93 -4.31 1.36 7.64 -1.26 -3.93 113.62 115.19 2k0b n SER 23 Ca -0.05 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.47 2k0b n SER 23 Cb 0.61 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.68 2k0b n SER 23 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k0b s ASP 24 N 1.73 4.75 -0.73 6.43 -4.77 -1.26 -4.75 116.67 118.07 2k0b s ASP 24 Ca 0.00 -0.66 -0.07 0.00 -3.30 0.00 0.00 52.55 48.53 2k0b s ASP 24 Cb 0.00 -1.80 -0.09 0.00 -1.09 0.00 0.00 42.92 39.94 2k0b s ASP 24 CO 0.00 -0.13 3.09 -0.62 0.70 0.00 0.00 175.17 178.21 2k0b n GLU 25 N 4.80 2.93 0.00 2.11 -0.58 -1.26 -3.65 120.64 125.00 2k0b n GLU 25 Ca -0.16 -1.97 0.00 0.00 -0.42 0.00 0.00 57.16 54.61 2k0b n GLU 25 Cb 0.48 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 2k0b n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k0b n GLY 26 N 2.33 -0.58 1.21 0.62 0.00 -1.26 -4.79 105.19 102.72 2k0b n GLY 26 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2k0b n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k0b n GLY 27 N 0.00 0.67 0.05 -0.02 0.00 -1.24 -4.94 105.19 99.72 2k0b n GLY 27 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.91 2k0b n GLY 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k0b n TRP 28 N -2.61 0.46 0.22 1.61 4.27 -1.26 -4.01 117.44 116.12 2k0b n TRP 28 Ca 0.00 0.13 0.18 0.00 -3.89 0.00 0.00 57.50 53.92 2k0b n TRP 28 Cb 0.00 -0.63 0.86 0.00 -1.36 0.00 0.00 31.31 30.18 2k0b n TRP 28 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 2k0b h LEU 29 N 0.00 0.00 0.00 5.67 5.85 -1.91 1.09 115.31 126.02 2k0b h LEU 29 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2k0b h LEU 29 Cb 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2k0b h LEU 29 CO 0.00 0.00 -1.49 0.35 -0.34 0.00 0.00 178.44 176.96 2k0b n THR 30 N -3.58 0.59 -0.10 1.05 -2.24 -1.26 -4.47 114.28 104.28 2k0b n THR 30 Ca 0.01 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 2k0b n THR 30 Cb 0.35 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 2k0b n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k0b n ARG 31 N -2.59 0.52 -0.02 -0.78 1.74 0.89 -4.17 116.66 112.25 2k0b n ARG 31 Ca -0.05 0.39 -0.02 0.00 -0.77 0.00 0.00 57.85 57.40 2k0b n ARG 31 Cb 0.65 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 2k0b n ARG 31 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2k0b h LEU 32 N -1.00 -0.22 -1.51 0.55 7.12 0.78 -1.96 115.31 119.07 2k0b h LEU 32 Ca -0.19 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 57.80 2k0b h LEU 32 Cb 1.01 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 2k0b h LEU 32 CO -0.12 -0.04 -0.21 0.17 -0.13 0.00 0.00 178.44 178.11 2k0b h LEU 33 N -0.04 0.00 -1.51 2.25 8.10 -1.78 -2.44 115.31 119.89 2k0b h LEU 33 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.96 2k0b h LEU 33 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 2k0b h LEU 33 CO -0.07 0.21 -0.12 -0.61 -4.11 0.00 0.00 178.44 173.74 2k0b h GLN 34 N 0.00 0.17 0.00 0.17 5.75 -1.56 0.82 115.11 120.46 2k0b h GLN 34 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2k0b h GLN 34 Cb 0.54 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2k0b h GLN 34 CO 0.03 0.30 -1.04 -2.37 -2.65 0.00 0.00 178.83 173.10 2k0b n THR 35 N -4.31 0.00 -1.82 2.39 5.66 -0.80 -4.49 114.28 110.92 2k0b n THR 35 Ca -0.01 -0.04 -0.27 0.00 -3.05 0.00 0.00 64.05 60.68 2k0b n THR 35 Cb 0.24 0.87 0.04 0.00 -1.55 0.00 0.00 70.33 69.93 2k0b n THR 35 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k0b n LYS 36 N -1.56 3.35 -3.23 1.09 5.02 -0.95 -4.92 118.16 116.96 2k0b n LYS 36 Ca 0.04 -3.92 -0.22 0.00 -2.02 0.00 0.00 58.31 52.19 2k0b n LYS 36 Cb 0.35 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.08 2k0b n LYS 36 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2k0b n ASN 37 N -0.77 -3.86 -2.70 4.39 0.23 -1.21 -2.56 115.26 108.78 2k0b n ASN 37 Ca 0.49 -0.31 -0.01 0.00 -0.53 0.00 0.00 54.58 54.23 2k0b n ASN 37 Cb 0.88 -3.20 0.00 0.00 -2.08 0.00 0.00 39.78 35.39 2k0b n ASN 37 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2k0b n TYR 38 N -3.90 -2.26 -3.14 -2.53 4.01 0.28 -4.96 117.16 104.67 2k0b n TYR 38 Ca -0.04 0.86 -0.43 0.00 -0.16 0.00 0.00 57.90 58.13 2k0b n TYR 38 Cb 0.55 -3.52 -0.06 0.00 -0.31 0.00 0.00 39.34 36.00 2k0b n TYR 38 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2k0b s ASP 39 N -2.80 6.26 0.00 7.72 -1.08 -1.06 -4.86 116.67 120.85 2k0b s ASP 39 Ca 0.02 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 51.62 2k0b s ASP 39 Cb -0.00 -2.30 0.65 0.00 -1.46 0.00 0.00 42.92 39.80 2k0b s ASP 39 CO 0.57 -0.85 1.50 2.30 0.52 0.00 0.00 175.17 179.21 2k0b n ILE 40 N 5.70 0.00 0.07 4.11 -5.35 -1.26 -1.90 119.36 120.73 2k0b n ILE 40 Ca -0.05 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 2k0b n ILE 40 Cb 0.46 0.60 0.01 0.00 -1.74 0.00 0.00 39.64 38.97 2k0b n ILE 40 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2k0b h GLY 41 N 4.89 0.36 0.23 3.28 0.00 -1.98 -2.74 103.07 107.11 2k0b h GLY 41 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 47.33 46.60 2k0b h GLY 41 CO 0.00 0.50 -2.00 0.00 0.00 0.00 0.00 176.54 175.03 2k0b n ALA 42 N -2.50 2.12 -0.19 3.60 0.00 -1.24 -4.17 120.51 118.14 2k0b n ALA 42 Ca -0.04 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 2k0b n ALA 42 Cb 0.76 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 19.63 2k0b n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0b h ALA 43 N 1.50 0.69 0.00 0.00 0.00 -1.42 -1.56 119.26 118.47 2k0b h ALA 43 Ca -0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2k0b h ALA 43 Cb 1.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2k0b h ALA 43 CO 0.02 0.39 -0.27 -0.07 0.00 0.00 0.00 179.25 179.32 2k0b h LEU 44 N 0.73 0.00 0.54 0.00 4.07 -1.68 -2.61 115.31 116.37 2k0b h LEU 44 Ca 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 2k0b h LEU 44 Cb 0.33 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.08 2k0b h LEU 44 CO 0.00 0.27 -0.26 -0.78 -1.08 0.00 0.00 178.44 176.59 2k0b h ASP 45 N 0.00 -0.61 0.19 -0.43 1.82 -1.62 -0.57 116.42 115.20 2k0b h ASP 45 Ca -0.00 -0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2k0b h ASP 45 Cb 0.56 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.73 2k0b h ASP 45 CO 0.04 -0.23 -0.00 0.71 -1.61 0.00 0.00 179.24 178.14 2k0b h THR 46 N -1.06 0.02 0.00 2.25 1.35 -1.11 0.42 112.91 114.77 2k0b h THR 46 Ca -0.07 -0.10 -0.29 0.00 -0.55 0.00 0.00 66.41 65.40 2k0b h THR 46 Cb 0.62 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.09 2k0b h THR 46 CO 0.12 0.00 -1.67 0.16 -0.25 0.00 0.00 175.52 173.88 2k0b h ILE 47 N 0.00 0.89 0.00 6.82 3.07 -1.51 -3.43 117.51 123.35 2k0b h ILE 47 Ca -0.00 -2.74 0.00 0.00 1.55 0.00 0.00 64.86 63.67 2k0b h ILE 47 Cb 0.10 2.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2k0b h ILE 47 CO 0.00 0.51 0.00 0.00 -1.05 0.00 0.00 178.15 177.61 2k0b n GLN 48 N -3.06 0.00 -0.21 0.16 6.02 -1.05 -4.89 117.38 114.35 2k0b n GLN 48 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 2k0b n GLN 48 Cb 1.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.31 2k0b n GLN 48 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2k0b n TYR 49 N -1.73 0.00 -1.18 1.08 4.01 -0.23 -4.09 117.16 115.02 2k0b n TYR 49 Ca 0.00 -0.66 -0.28 0.00 -0.16 0.00 0.00 57.90 56.80 2k0b n TYR 49 Cb 0.00 -0.35 0.10 0.00 -0.31 0.00 0.00 39.34 38.79 2k0b n TYR 49 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2k0b n SER 50 N 1.01 6.16 -3.68 7.72 2.88 0.10 -4.42 113.62 123.39 2k0b n SER 50 Ca 0.00 -3.59 -0.14 0.00 -1.33 0.00 0.00 58.87 53.81 2k0b n SER 50 Cb 0.45 -0.93 -0.08 0.00 -0.75 0.00 0.00 64.21 62.90 2k0b n SER 50 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2k0b s LYS 51 N -3.31 0.68 0.00 -1.46 -2.85 -1.26 -5.07 119.74 106.47 2k0b s LYS 51 Ca 0.57 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.16 2k0b s LYS 51 Cb 0.45 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.55 2k0b s LYS 51 CO 0.03 -0.11 0.43 0.72 0.10 0.00 0.00 175.35 176.52