#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 3.54 0.32 1.61 0.01 -1.26 -5.12 113.70 112.80 2k0b s SER 2 Ca 0.00 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 56.00 2k0b s SER 2 Cb 0.00 -1.22 -0.10 0.00 0.21 0.00 0.00 66.02 64.91 2k0b s SER 2 CO 0.00 -0.17 1.23 -2.16 0.41 0.00 0.00 173.24 172.55 2k0b s PRO 3 N 1.39 4.44 0.00 12.44 0.04 -1.26 -4.90 135.00 147.15 2k0b s PRO 3 Ca -0.03 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2k0b s PRO 3 Cb -0.17 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2k0b s PRO 3 CO -0.07 -0.06 1.32 -0.35 0.04 0.00 0.00 177.00 177.88 2k0b n PRO 4 N 0.90 0.77 0.00 0.56 -0.04 -1.26 -2.70 135.00 133.23 2k0b n PRO 4 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k0b n PRO 4 Cb 0.43 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2k0b n PRO 4 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0b n GLU 5 N 1.33 1.01 -1.82 0.54 -0.58 -1.26 -4.87 120.64 114.99 2k0b n GLU 5 Ca 0.00 -0.06 -0.02 0.00 -0.42 0.00 0.00 57.16 56.67 2k0b n GLU 5 Cb 0.39 -0.34 0.05 0.00 -0.57 0.00 0.00 31.44 30.96 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0b n ALA 6 N -0.16 0.97 -2.12 0.62 0.00 -1.10 -4.75 120.51 113.97 2k0b n ALA 6 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.56 2k0b n ALA 6 Cb 0.07 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.63 6.97 0.59 0.00 -1.08 -1.10 -4.66 116.67 116.77 2k0b s ASP 7 Ca 0.04 1.36 0.33 0.00 -0.52 0.00 0.00 52.55 53.76 2k0b s ASP 7 Cb 0.19 -2.40 1.26 0.00 -1.46 0.00 0.00 42.92 40.51 2k0b s ASP 7 CO -0.06 -0.02 1.52 -0.65 0.52 0.00 0.00 175.17 176.48 2k0b h PRO 8 N 3.14 0.00 0.15 4.34 0.11 -1.97 0.95 132.00 138.71 2k0b h PRO 8 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 2k0b h PRO 8 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2k0b h PRO 8 CO 0.65 0.00 -0.86 0.00 -0.21 0.00 0.00 178.00 177.58 2k0b h ARG 9 N 0.00 0.32 0.00 1.05 3.08 -1.99 -3.33 114.38 113.52 2k0b h ARG 9 Ca 0.55 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k0b h ARG 9 Cb 2.74 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.99 2k0b h ARG 9 CO -0.01 1.26 -1.39 1.28 -1.07 0.00 0.00 179.97 180.04 2k0b n LEU 10 N -4.09 0.50 0.19 3.04 4.77 0.16 -1.26 117.00 120.31 2k0b n LEU 10 Ca -0.14 -0.15 0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2k0b n LEU 10 Cb 0.84 -0.03 0.53 0.00 -2.33 0.00 0.00 43.42 42.44 2k0b n LEU 10 CO 0.50 0.08 0.91 -0.29 -1.33 0.00 0.00 177.39 177.26 2k0b h ILE 11 N 0.00 0.00 0.00 -0.08 2.10 0.46 0.88 117.51 120.87 2k0b h ILE 11 Ca 0.00 -0.42 -0.05 0.00 1.08 0.00 0.00 64.86 65.48 2k0b h ILE 11 Cb 0.77 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2k0b h ILE 11 CO 0.00 0.00 -0.88 1.21 -1.08 0.00 0.00 178.15 177.40 2k0b n GLU 12 N -2.63 0.50 0.05 2.19 4.07 -1.22 -4.15 120.64 119.45 2k0b n GLU 12 Ca 0.02 0.40 0.06 0.00 -0.06 0.00 0.00 57.16 57.58 2k0b n GLU 12 Cb 0.30 -1.59 -0.06 0.00 -0.06 0.00 0.00 31.44 30.03 2k0b n GLU 12 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2k0b n SER 13 N -4.52 0.70 -0.11 4.31 7.64 -0.39 -3.33 113.62 117.92 2k0b n SER 13 Ca -0.15 0.29 -0.24 0.00 1.01 0.00 0.00 58.87 59.78 2k0b n SER 13 Cb 0.43 0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 64.09 2k0b n SER 13 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k0b n LEU 14 N -2.71 2.08 0.26 -3.43 7.94 0.63 -4.27 117.00 117.50 2k0b n LEU 14 Ca -0.06 0.32 0.18 0.00 -1.11 0.00 0.00 56.01 55.34 2k0b n LEU 14 Cb 0.69 -0.93 0.79 0.00 0.53 0.00 0.00 43.42 44.50 2k0b n LEU 14 CO 0.42 0.50 1.01 0.28 -1.11 0.00 0.00 177.39 178.50 2k0b h SER 15 N -0.79 0.00 -0.08 1.96 0.02 0.46 0.22 113.55 115.34 2k0b h SER 15 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2k0b h SER 15 Cb 1.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2k0b h SER 15 CO -0.24 0.00 0.05 -0.61 -1.14 0.00 0.00 176.83 174.89 2k0b h GLN 16 N 0.00 0.11 0.00 3.45 -0.00 -1.73 -2.06 115.11 114.87 2k0b h GLN 16 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 2k0b h GLN 16 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 2k0b h GLN 16 CO 0.00 0.09 -1.20 0.00 0.00 0.00 0.00 178.83 177.72 2k0b n MET 17 N -5.02 0.61 -0.11 1.69 0.00 -0.89 -3.69 117.12 109.71 2k0b n MET 17 Ca -0.06 0.10 -0.12 0.00 0.00 0.00 0.00 57.70 57.62 2k0b n MET 17 Cb 0.04 -1.79 -0.01 0.00 0.00 0.00 0.00 33.22 31.46 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 0.00 0.97 -0.16 3.17 5.85 -0.51 0.25 115.31 124.87 2k0b h LEU 18 Ca -0.03 -0.44 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 2k0b h LEU 18 Cb 1.11 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.87 2k0b h LEU 18 CO 0.01 1.23 -0.56 0.77 -0.34 0.00 0.00 178.44 179.54 2k0b h SER 19 N 0.75 0.78 0.61 1.25 4.64 -1.52 -3.27 113.55 116.78 2k0b h SER 19 Ca 0.06 -0.60 -0.12 0.00 -0.47 0.00 0.00 61.79 60.66 2k0b h SER 19 Cb 0.96 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2k0b h SER 19 CO 0.09 1.25 -0.55 -0.03 -0.87 0.00 0.00 176.83 176.72 2k0b h MET 20 N 0.36 0.00 0.00 4.77 1.85 -1.63 -3.47 114.93 116.80 2k0b h MET 20 Ca -0.02 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2k0b h MET 20 Cb 1.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 2k0b h MET 20 CO 0.12 0.55 0.00 0.41 -0.40 0.00 0.00 176.91 177.59 2k0b n GLY 21 N 0.14 0.65 3.89 1.39 0.00 -0.81 -5.11 105.19 105.33 2k0b n GLY 21 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.26 2.41 0.23 1.61 0.08 0.01 -5.05 117.98 116.01 2k0b s PHE 22 Ca 0.00 -0.57 -0.09 0.00 0.12 0.00 0.00 56.93 56.38 2k0b s PHE 22 Cb 0.00 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2k0b s PHE 22 CO 0.00 -0.26 0.37 -1.12 -0.10 0.00 0.00 175.22 174.11 2k0b s SER 23 N -4.20 -0.02 0.32 1.36 0.01 -1.26 -4.69 113.70 105.23 2k0b s SER 23 Ca 0.47 -1.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.38 2k0b s SER 23 Cb -0.03 0.52 -0.10 0.00 0.21 0.00 0.00 66.02 66.63 2k0b s SER 23 CO 0.27 -1.05 1.18 1.51 0.41 0.00 0.00 173.24 175.56 2k0b s ASP 24 N -3.06 6.96 -0.70 2.44 -4.77 -1.26 -4.64 116.67 111.64 2k0b s ASP 24 Ca 0.27 2.41 0.04 0.00 -3.30 0.00 0.00 52.55 51.98 2k0b s ASP 24 Cb 0.02 -2.63 0.29 0.00 -1.09 0.00 0.00 42.92 39.51 2k0b s ASP 24 CO 0.10 -0.38 0.98 1.21 0.70 0.00 0.00 175.17 177.78 2k0b n GLU 25 N 0.82 3.21 0.00 2.11 2.13 -1.26 -4.52 120.64 123.13 2k0b n GLU 25 Ca 0.00 -4.73 0.00 0.00 0.66 0.00 0.00 57.16 53.09 2k0b n GLU 25 Cb 0.44 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.86 2k0b n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k0b n GLY 26 N 0.45 -0.39 1.69 8.31 0.00 -1.26 -4.82 105.19 109.17 2k0b n GLY 26 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.57 0.03 -0.02 0.00 -1.26 -4.96 105.19 99.55 2k0b n GLY 27 Ca 0.00 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.27 0.24 -0.27 1.61 4.27 -1.26 -4.63 117.44 114.13 2k0b n TRP 28 Ca 0.00 0.07 0.08 0.00 -3.89 0.00 0.00 57.50 53.76 2k0b n TRP 28 Cb 0.26 -0.53 0.22 0.00 -1.36 0.00 0.00 31.31 29.91 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 -0.04 -0.04 5.67 5.85 -1.94 0.98 115.31 125.80 2k0b h LEU 29 Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2k0b h LEU 29 Cb 0.90 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k0b h LEU 29 CO 0.00 -0.10 -0.03 0.71 -0.34 0.00 0.00 178.44 178.69 2k0b h THR 30 N 0.23 1.35 0.72 1.05 1.35 -2.00 -2.90 112.91 112.71 2k0b h THR 30 Ca 0.47 -1.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.20 2k0b h THR 30 Cb 0.86 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2k0b h THR 30 CO -0.59 0.30 -0.47 0.03 -0.25 0.00 0.00 175.52 174.54 2k0b h ARG 31 N -0.35 -1.08 -0.34 4.72 3.08 -1.34 -1.42 114.38 117.65 2k0b h ARG 31 Ca 0.01 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.20 2k0b h ARG 31 Cb 0.49 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.70 2k0b h ARG 31 CO 0.01 -0.72 -0.35 1.25 -1.07 0.00 0.00 179.97 179.09 2k0b h LEU 32 N -1.13 -1.13 0.23 3.04 7.12 0.80 -2.44 115.31 121.80 2k0b h LEU 32 Ca -0.10 0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2k0b h LEU 32 Cb 0.91 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 2k0b h LEU 32 CO 0.08 -0.34 -0.11 -0.07 -0.13 0.00 0.00 178.44 177.86 2k0b h LEU 33 N -0.30 -0.27 -0.74 2.25 3.38 -1.50 -2.70 115.31 115.43 2k0b h LEU 33 Ca 0.15 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2k0b h LEU 33 Cb 0.55 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.25 2k0b h LEU 33 CO -0.51 -0.19 -0.43 1.56 0.09 0.00 0.00 178.44 178.96 2k0b h GLN 34 N -0.31 -0.13 0.00 1.13 7.50 -1.22 0.72 115.11 122.80 2k0b h GLN 34 Ca -0.03 0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.07 2k0b h GLN 34 Cb 0.24 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 2k0b h GLN 34 CO 0.05 -0.09 -0.27 1.79 -1.50 0.00 0.00 178.83 178.82 2k0b h THR 35 N -0.13 0.95 -0.87 -0.54 1.35 -1.54 -2.84 112.91 109.27 2k0b h THR 35 Ca 0.22 -1.01 -0.56 0.00 -0.55 0.00 0.00 66.41 64.52 2k0b h THR 35 Cb 0.55 1.58 -0.26 0.00 -1.73 0.00 0.00 68.15 68.30 2k0b h THR 35 CO -0.80 0.26 0.72 1.17 -0.25 0.00 0.00 175.52 176.63 2k0b n LYS 36 N -3.86 2.38 -4.27 4.72 4.81 -0.28 -4.87 118.16 116.78 2k0b n LYS 36 Ca -0.02 -2.81 -0.34 0.00 -0.87 0.00 0.00 58.31 54.28 2k0b n LYS 36 Cb 0.35 -2.10 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 2k0b n LYS 36 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2k0b n ASN 37 N -0.69 -0.77 -3.21 3.14 6.94 -1.07 -2.26 115.26 117.33 2k0b n ASN 37 Ca 0.54 -1.16 -0.07 0.00 -0.02 0.00 0.00 54.58 53.87 2k0b n ASN 37 Cb 0.86 -2.14 0.01 0.00 -2.36 0.00 0.00 39.78 36.15 2k0b n ASN 37 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2k0b n TYR 38 N -4.39 -2.74 -3.89 -2.53 4.02 0.24 -4.99 117.16 102.87 2k0b n TYR 38 Ca -0.15 1.03 -0.36 0.00 -0.01 0.00 0.00 57.90 58.42 2k0b n TYR 38 Cb 0.60 -3.90 -0.12 0.00 -0.02 0.00 0.00 39.34 35.89 2k0b n TYR 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2k0b s ASP 39 N -3.07 5.05 0.00 7.72 2.15 -0.96 -4.85 116.67 122.71 2k0b s ASP 39 Ca 0.08 -0.18 0.26 0.00 0.43 0.00 0.00 52.55 53.13 2k0b s ASP 39 Cb -0.02 -1.89 0.62 0.00 -0.30 0.00 0.00 42.92 41.33 2k0b s ASP 39 CO 0.77 0.02 1.48 2.30 -0.17 0.00 0.00 175.17 179.58 2k0b n ILE 40 N 4.56 0.00 -0.26 4.11 -0.00 -1.26 -3.11 119.36 123.40 2k0b n ILE 40 Ca -0.17 -0.05 -0.04 0.00 -0.00 0.00 0.00 62.75 62.50 2k0b n ILE 40 Cb 0.52 0.28 0.07 0.00 -0.00 0.00 0.00 39.64 40.51 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 4.97 1.02 0.56 3.28 0.00 -1.98 0.90 103.07 111.81 2k0b h GLY 41 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 2k0b h GLY 41 CO 0.00 0.33 -1.57 0.00 0.00 0.00 0.00 176.54 175.30 2k0b n ALA 42 N -2.30 2.39 -0.13 3.60 0.00 -1.25 -4.15 120.51 118.66 2k0b n ALA 42 Ca 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2k0b n ALA 42 Cb 0.05 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 1.77 0.77 -0.27 0.00 0.00 -1.43 -3.01 119.26 117.10 2k0b h ALA 43 Ca -0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2k0b h ALA 43 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2k0b h ALA 43 CO 0.01 0.66 0.02 -0.07 0.00 0.00 0.00 179.25 179.87 2k0b h LEU 44 N 0.78 0.36 -0.65 0.00 4.07 -0.98 -1.89 115.31 117.01 2k0b h LEU 44 Ca 0.10 -0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.12 2k0b h LEU 44 Cb 0.77 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 42.34 2k0b h LEU 44 CO 0.06 0.41 0.24 -0.78 -1.08 0.00 0.00 178.44 177.29 2k0b h ASP 45 N 0.39 0.22 0.08 -0.43 3.58 -1.59 -1.83 116.42 116.84 2k0b h ASP 45 Ca 0.09 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2k0b h ASP 45 Cb 0.22 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k0b h ASP 45 CO 0.00 0.12 -0.43 0.35 -2.88 0.00 0.00 179.24 176.40 2k0b n THR 46 N -5.00 0.00 -1.33 2.25 -2.24 -1.02 -2.07 114.28 104.87 2k0b n THR 46 Ca 0.10 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 2k0b n THR 46 Cb 0.31 0.93 0.05 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.34 3.40 -1.94 2.28 -5.35 -0.74 -4.48 119.36 112.19 2k0b n ILE 47 Ca 0.10 -2.83 0.00 0.00 -0.27 0.00 0.00 62.75 59.75 2k0b n ILE 47 Cb 0.42 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.07 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 -0.42 0.00 -2.95 6.28 3.00 -1.25 -4.80 117.38 117.25 2k0b n GLN 48 Ca 0.53 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.35 2k0b n GLN 48 Cb 0.57 -3.26 -0.01 0.00 0.00 0.00 0.00 30.24 27.54 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 -3.74 1.19 -0.06 1.08 4.01 -0.73 -4.91 117.16 114.00 2k0b n TYR 49 Ca 0.00 -3.49 0.03 0.00 -0.16 0.00 0.00 57.90 54.28 2k0b n TYR 49 Cb 0.48 -0.39 0.22 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.06 3.63 -0.13 7.72 2.88 -0.88 -3.60 113.62 123.29 2k0b n SER 50 Ca 0.22 -2.54 0.09 0.00 -1.33 0.00 0.00 58.87 55.31 2k0b n SER 50 Cb 0.67 -0.61 0.14 0.00 -0.75 0.00 0.00 64.21 63.66 2k0b n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k0b n LYS 51 N 0.31 1.58 -0.57 -1.46 5.02 -1.26 -5.08 118.16 116.70 2k0b n LYS 51 Ca 0.16 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.95 2k0b n LYS 51 Cb 0.80 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2k0b n LYS 51 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60