#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 6.64 0.17 1.61 1.04 -1.26 -5.03 113.70 116.87 2k0b s SER 2 Ca 0.00 0.48 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 2k0b s SER 2 Cb 0.00 -2.47 -0.08 0.00 0.10 0.00 0.00 66.02 63.57 2k0b s SER 2 CO 0.00 -0.93 0.70 -2.16 0.98 0.00 0.00 173.24 171.83 2k0b s PRO 3 N 3.61 4.31 0.00 4.02 0.04 -1.26 -4.96 135.00 140.76 2k0b s PRO 3 Ca 0.39 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2k0b s PRO 3 Cb -0.11 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 2k0b s PRO 3 CO 0.21 0.50 2.46 -2.30 0.04 0.00 0.00 177.00 177.91 2k0b n PRO 4 N 1.16 1.29 -0.76 0.56 -0.02 -1.26 -2.64 135.00 133.33 2k0b n PRO 4 Ca -0.05 -0.38 -0.04 0.00 -2.02 0.00 0.00 63.50 61.01 2k0b n PRO 4 Cb 0.50 -1.42 -0.04 0.00 -0.02 0.00 0.00 33.50 32.52 2k0b n PRO 4 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k0b n GLU 5 N 1.96 0.00 -2.03 -0.52 2.13 -1.26 -4.92 120.64 115.99 2k0b n GLU 5 Ca 0.16 -0.56 -0.01 0.00 0.66 0.00 0.00 57.16 57.41 2k0b n GLU 5 Cb 0.62 0.32 0.03 0.00 0.27 0.00 0.00 31.44 32.67 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k0b n ALA 6 N 0.00 -0.89 -2.87 4.31 0.00 -1.08 -4.82 120.51 115.16 2k0b n ALA 6 Ca -0.16 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 2k0b n ALA 6 Cb 0.57 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.33 6.05 0.60 0.00 -1.08 -1.24 -4.73 116.67 115.94 2k0b s ASP 7 Ca 0.03 0.17 0.29 0.00 -0.52 0.00 0.00 52.55 52.52 2k0b s ASP 7 Cb 0.12 -1.78 1.22 0.00 -1.46 0.00 0.00 42.92 41.02 2k0b s ASP 7 CO -0.03 0.17 1.57 -0.65 0.52 0.00 0.00 175.17 176.75 2k0b h PRO 8 N 3.15 0.00 0.05 4.34 0.11 -1.99 1.11 132.00 138.78 2k0b h PRO 8 Ca -0.46 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 2k0b h PRO 8 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2k0b h PRO 8 CO 0.72 0.00 -2.02 0.54 -0.21 0.00 0.00 178.00 177.04 2k0b n ARG 9 N -3.50 0.69 0.10 1.05 1.74 -1.26 -4.22 116.66 111.27 2k0b n ARG 9 Ca 0.19 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.61 2k0b n ARG 9 Cb 1.21 -1.69 0.09 0.00 -1.02 0.00 0.00 32.46 31.05 2k0b n ARG 9 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2k0b h LEU 10 N 0.03 0.00 -1.94 0.55 3.38 -0.86 -2.70 115.31 113.78 2k0b h LEU 10 Ca -0.41 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2k0b h LEU 10 Cb 2.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 2k0b h LEU 10 CO 0.05 0.04 -0.12 0.40 0.09 0.00 0.00 178.44 178.91 2k0b h ILE 11 N 0.00 0.69 0.09 1.22 1.08 0.88 0.82 117.51 122.29 2k0b h ILE 11 Ca 0.00 -0.47 -0.24 0.00 -0.39 0.00 0.00 64.86 63.76 2k0b h ILE 11 Cb 0.90 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 2k0b h ILE 11 CO 0.00 0.11 -1.24 -0.33 -0.69 0.00 0.00 178.15 176.01 2k0b h GLU 12 N 0.00 0.19 0.03 2.37 4.39 -1.71 -3.29 114.58 116.57 2k0b h GLU 12 Ca -0.00 -0.32 -0.38 0.00 0.34 0.00 0.00 59.36 59.00 2k0b h GLU 12 Cb 0.28 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2k0b h GLU 12 CO 0.02 1.15 -2.22 -1.13 -1.16 0.00 0.00 179.01 175.67 2k0b n SER 13 N -4.07 2.00 -0.08 1.42 3.41 -0.98 -3.92 113.62 111.41 2k0b n SER 13 Ca -0.24 0.12 -0.23 0.00 -0.26 0.00 0.00 58.87 58.26 2k0b n SER 13 Cb 0.83 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 2k0b n SER 13 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k0b n LEU 14 N -3.65 2.28 0.13 1.04 0.00 0.20 -4.02 117.00 112.97 2k0b n LEU 14 Ca -0.42 0.26 0.12 0.00 0.00 0.00 0.00 56.01 55.97 2k0b n LEU 14 Cb 0.95 -0.98 0.50 0.00 0.00 0.00 0.00 43.42 43.88 2k0b n LEU 14 CO 0.25 0.60 0.85 -1.20 0.00 0.00 0.00 177.39 177.90 2k0b n SER 15 N -3.94 0.64 0.19 1.96 7.64 0.23 -0.45 113.62 119.89 2k0b n SER 15 Ca -0.38 0.68 -0.08 0.00 1.01 0.00 0.00 58.87 60.10 2k0b n SER 15 Cb 0.88 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2k0b n SER 15 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k0b h GLN 16 N 0.00 -0.47 -0.79 1.43 -0.00 -1.68 -2.15 115.11 111.44 2k0b h GLN 16 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.65 2k0b h GLN 16 Cb 0.31 0.11 -0.04 0.00 0.00 0.00 0.00 27.48 27.86 2k0b h GLN 16 CO 0.00 -0.32 0.35 0.52 0.00 0.00 0.00 178.83 179.38 2k0b h MET 17 N -0.54 1.16 -0.41 1.69 2.86 -1.61 -2.14 114.93 115.93 2k0b h MET 17 Ca -0.05 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 2k0b h MET 17 Cb 0.38 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2k0b h MET 17 CO 0.08 0.91 0.21 1.25 1.06 0.00 0.00 176.91 180.43 2k0b h LEU 18 N 1.14 0.50 -0.23 1.22 5.85 -0.79 0.23 115.31 123.23 2k0b h LEU 18 Ca 0.27 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2k0b h LEU 18 Cb 0.16 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2k0b h LEU 18 CO -0.03 0.42 -0.63 -0.24 -0.34 0.00 0.00 178.44 177.62 2k0b n SER 19 N -4.42 0.98 -0.10 1.25 2.88 -0.81 -4.29 113.62 109.12 2k0b n SER 19 Ca 0.03 -0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 56.67 2k0b n SER 19 Cb 0.11 0.53 -0.14 0.00 -0.75 0.00 0.00 64.21 63.95 2k0b n SER 19 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2k0b n MET 20 N -1.15 0.91 0.00 -1.46 0.00 -0.82 -5.01 117.12 109.59 2k0b n MET 20 Ca 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.70 57.78 2k0b n MET 20 Cb 0.36 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 1.95 1.57 3.26 -5.12 0.00 0.07 -5.07 105.19 101.84 2k0b n GLY 21 Ca -0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 2.15 0.00 1.61 0.40 0.59 -5.04 117.98 115.69 2k0b s PHE 22 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2k0b s PHE 22 Cb 0.00 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2k0b s PHE 22 CO 0.00 -0.08 0.00 0.43 0.70 0.00 0.00 175.22 176.27 2k0b n SER 23 N 2.63 0.00 -4.26 1.36 7.64 -1.26 -3.59 113.62 116.13 2k0b n SER 23 Ca -0.16 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.41 2k0b n SER 23 Cb 0.52 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 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 1.00 2.91 0.19 6.43 1.47 -1.26 -4.77 116.67 122.64 2k0b s ASP 24 Ca 0.00 -0.47 -0.07 0.00 1.18 0.00 0.00 52.55 53.19 2k0b s ASP 24 Cb 0.00 -0.63 0.10 0.00 -0.34 0.00 0.00 42.92 42.04 2k0b s ASP 24 CO 0.00 0.26 1.57 -0.08 0.68 0.00 0.00 175.17 177.60 2k0b h GLU 25 N 5.89 0.85 0.00 2.11 4.81 -1.88 -3.39 114.58 122.97 2k0b h GLU 25 Ca -0.35 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 2k0b h GLU 25 Cb 1.16 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k0b h GLU 25 CO 0.47 1.02 0.00 0.41 -0.73 0.00 0.00 179.01 180.18 2k0b n GLY 26 N -0.11 1.00 0.00 1.92 0.00 -1.26 -5.01 105.19 101.74 2k0b n GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.69 0.10 -0.02 0.00 -1.26 -5.03 105.19 100.67 2k0b n GLY 27 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 0.30 1.61 4.27 -1.26 -4.23 117.44 118.13 2k0b n TRP 28 Ca 0.00 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.77 2k0b n TRP 28 Cb 0.00 -0.08 0.74 0.00 -1.36 0.00 0.00 31.31 30.61 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 0.48 0.00 0.00 5.67 5.85 -1.93 0.95 115.31 126.33 2k0b h LEU 29 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k0b h LEU 29 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2k0b h LEU 29 CO 0.00 0.00 -1.13 1.07 -0.34 0.00 0.00 178.44 178.04 2k0b n THR 30 N -2.67 0.25 -0.03 1.05 5.66 -1.26 -4.51 114.28 112.76 2k0b n THR 30 Ca -0.00 -0.34 -0.03 0.00 -3.05 0.00 0.00 64.05 60.63 2k0b n THR 30 Cb 0.17 0.06 -0.01 0.00 -1.55 0.00 0.00 70.33 69.00 2k0b n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k0b n ARG 31 N -2.15 0.20 0.00 1.09 1.74 0.13 -4.58 116.66 113.09 2k0b n ARG 31 Ca 0.01 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2k0b n ARG 31 Cb 0.48 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 2k0b n ARG 31 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2k0b n LEU 32 N -3.25 0.00 -0.10 0.55 -0.00 0.28 -2.05 117.00 112.43 2k0b n LEU 32 Ca -0.05 0.83 -0.06 0.00 -0.00 0.00 0.00 56.01 56.73 2k0b n LEU 32 Cb 0.18 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 2k0b n LEU 32 CO 0.07 -0.33 0.72 -0.07 -0.00 0.00 0.00 177.39 177.79 2k0b h LEU 33 N 0.00 -0.67 -1.15 -1.96 4.07 -1.79 -1.53 115.31 112.27 2k0b h LEU 33 Ca 0.00 0.15 0.21 0.00 0.08 0.00 0.00 57.88 58.32 2k0b h LEU 33 Cb 0.00 0.36 -0.10 0.00 1.08 0.00 0.00 40.66 42.00 2k0b h LEU 33 CO 0.00 -0.23 0.62 1.56 -1.08 0.00 0.00 178.44 179.31 2k0b h GLN 34 N -0.14 0.61 -0.00 1.13 7.50 -1.79 0.94 115.11 123.34 2k0b h GLN 34 Ca 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.30 2k0b h GLN 34 Cb 0.42 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.82 2k0b h GLN 34 CO -0.46 0.40 -0.22 2.41 -1.50 0.00 0.00 178.83 179.46 2k0b n THR 35 N -4.71 0.00 -2.20 -0.54 -1.04 -0.64 -3.98 114.28 101.18 2k0b n THR 35 Ca 0.23 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 62.04 2k0b n THR 35 Cb 0.66 0.04 0.04 0.00 -1.82 0.00 0.00 70.33 69.25 2k0b n THR 35 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k0b n LYS 36 N -1.09 2.88 -1.74 -2.82 5.02 0.74 -4.95 118.16 116.20 2k0b n LYS 36 Ca 0.11 -3.87 -0.18 0.00 -2.02 0.00 0.00 58.31 52.35 2k0b n LYS 36 Cb 0.31 -1.99 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 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 -0.68 -4.80 -2.07 4.39 0.23 -0.95 -3.31 115.26 108.06 2k0b n ASN 37 Ca 0.32 0.35 -0.01 0.00 -0.53 0.00 0.00 54.58 54.70 2k0b n ASN 37 Cb 0.91 -4.24 0.00 0.00 -2.08 0.00 0.00 39.78 34.37 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 -2.57 -1.21 -4.76 -2.53 4.01 0.29 -4.99 117.16 105.40 2k0b n TYR 38 Ca -0.19 0.47 -0.32 0.00 -0.16 0.00 0.00 57.90 57.71 2k0b n TYR 38 Cb 0.60 -2.50 -0.13 0.00 -0.31 0.00 0.00 39.34 37.00 2k0b n TYR 38 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2k0b s ASP 39 N -2.13 3.92 0.16 7.72 -4.77 -1.21 -4.71 116.67 115.65 2k0b s ASP 39 Ca 0.03 -0.32 0.23 0.00 -3.30 0.00 0.00 52.55 49.19 2k0b s ASP 39 Cb -0.01 -0.73 -0.03 0.00 -1.09 0.00 0.00 42.92 41.06 2k0b s ASP 39 CO 0.29 0.29 0.98 2.30 0.70 0.00 0.00 175.17 179.73 2k0b n ILE 40 N 1.87 0.50 -0.29 2.11 -0.00 -1.26 -3.26 119.36 119.03 2k0b n ILE 40 Ca -0.16 -0.52 -0.04 0.00 -0.00 0.00 0.00 62.75 62.03 2k0b n ILE 40 Cb 0.52 -0.26 0.11 0.00 -0.00 0.00 0.00 39.64 40.02 2k0b n ILE 40 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2k0b h GLY 41 N 4.05 1.26 0.36 3.28 0.00 -1.98 -0.82 103.07 109.22 2k0b h GLY 41 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2k0b h GLY 41 CO 0.00 0.58 -0.85 0.00 0.00 0.00 0.00 176.54 176.27 2k0b n ALA 42 N -2.42 4.27 -0.03 3.60 0.00 -1.26 -4.11 120.51 120.56 2k0b n ALA 42 Ca 0.08 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 2k0b n ALA 42 Cb 0.13 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 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 2.96 0.07 -0.44 0.00 0.00 -1.37 -3.05 119.26 117.44 2k0b h ALA 43 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2k0b h ALA 43 Cb 0.52 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k0b h ALA 43 CO 0.00 0.06 0.29 -0.07 0.00 0.00 0.00 179.25 179.53 2k0b h LEU 44 N -0.37 0.39 -0.56 0.00 4.07 -1.35 -1.10 115.31 116.39 2k0b h LEU 44 Ca -0.02 -0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.01 2k0b h LEU 44 Cb 0.88 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.47 2k0b h LEU 44 CO 0.04 0.27 0.23 -0.78 -1.08 0.00 0.00 178.44 177.13 2k0b h ASP 45 N 0.46 0.27 0.42 -0.43 3.58 -1.70 0.11 116.42 119.13 2k0b h ASP 45 Ca 0.18 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2k0b h ASP 45 Cb 0.14 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k0b h ASP 45 CO -0.04 0.18 -0.18 0.35 -2.88 0.00 0.00 179.24 176.66 2k0b n THR 46 N -4.95 0.00 -0.04 2.25 -2.24 -0.44 -1.98 114.28 106.88 2k0b n THR 46 Ca 0.07 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2k0b n THR 46 Cb 0.22 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 2k0b n THR 46 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2k0b n ILE 47 N -1.02 0.49 0.00 2.28 -5.35 -1.09 -4.26 119.36 110.41 2k0b n ILE 47 Ca 0.12 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2k0b n ILE 47 Cb 0.31 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 2k0b n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k0b n GLN 48 N -2.23 0.00 -1.18 6.28 3.00 -0.91 -4.83 117.38 117.51 2k0b n GLN 48 Ca -0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.69 2k0b n GLN 48 Cb 0.67 -0.06 -0.13 0.00 0.00 0.00 0.00 30.24 30.72 2k0b n GLN 48 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2k0b n TYR 49 N -1.97 0.60 1.82 1.08 4.02 0.34 -4.39 117.16 118.66 2k0b n TYR 49 Ca 0.00 -1.66 0.11 0.00 -0.01 0.00 0.00 57.90 56.34 2k0b n TYR 49 Cb 0.00 -1.51 0.61 0.00 -0.02 0.00 0.00 39.34 38.42 2k0b n TYR 49 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2k0b n SER 50 N 1.88 0.42 -4.22 7.72 3.41 -0.84 -4.17 113.62 117.82 2k0b n SER 50 Ca 0.45 -1.38 -0.33 0.00 -0.26 0.00 0.00 58.87 57.34 2k0b n SER 50 Cb 0.78 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.55 2k0b n SER 50 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k0b s LYS 51 N -1.96 3.13 0.00 4.33 2.20 -1.26 -5.09 119.74 121.09 2k0b s LYS 51 Ca 0.34 -0.79 0.21 0.00 -0.36 0.00 0.00 55.97 55.37 2k0b s LYS 51 Cb 0.16 -2.56 0.17 0.00 -1.51 0.00 0.00 37.83 34.09 2k0b s LYS 51 CO 0.27 -0.02 1.18 0.72 -0.36 0.00 0.00 175.35 177.14