#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 3.82 0.58 1.61 0.01 -1.26 -5.12 113.70 113.33 2k0b s SER 2 Ca 0.00 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.52 2k0b s SER 2 Cb 0.00 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 2k0b s SER 2 CO 0.00 0.19 1.14 -2.84 0.41 0.00 0.00 173.24 172.14 2k0b s PRO 3 N -2.04 3.14 0.00 12.44 0.02 -1.26 -4.87 135.00 142.43 2k0b s PRO 3 Ca 0.17 1.62 -0.00 0.00 0.02 0.00 0.00 61.00 62.80 2k0b s PRO 3 Cb -0.10 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 2k0b s PRO 3 CO 0.09 -1.02 1.31 -2.30 -0.33 0.00 0.00 177.00 174.75 2k0b n PRO 4 N -1.60 0.66 -0.15 5.54 -0.02 -1.26 -1.97 135.00 136.19 2k0b n PRO 4 Ca 0.12 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2k0b n PRO 4 Cb 0.51 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2k0b n PRO 4 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0b n GLU 5 N 1.77 0.00 -0.58 -0.52 1.02 -1.26 -4.88 120.64 116.19 2k0b n GLU 5 Ca 0.02 -0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 56.88 2k0b n GLU 5 Cb 0.32 -0.21 -0.01 0.00 -0.02 0.00 0.00 31.44 31.53 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0b n ALA 6 N 0.00 2.22 -1.77 0.62 0.00 -0.83 -4.56 120.51 116.18 2k0b n ALA 6 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 2k0b n ALA 6 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 2k0b n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k0b s ASP 7 N -0.28 6.28 0.59 0.00 1.01 -1.20 -4.54 116.67 118.53 2k0b s ASP 7 Ca 0.01 1.66 0.30 0.00 0.71 0.00 0.00 52.55 55.23 2k0b s ASP 7 Cb 0.01 -2.52 1.28 0.00 1.01 0.00 0.00 42.92 42.70 2k0b s ASP 7 CO -0.00 -0.82 1.62 -0.65 0.21 0.00 0.00 175.17 175.52 2k0b h PRO 8 N 0.68 0.00 0.04 8.23 0.11 -1.98 1.01 132.00 140.09 2k0b h PRO 8 Ca -0.47 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 2k0b h PRO 8 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2k0b h PRO 8 CO 0.60 0.00 -1.93 0.54 -0.21 0.00 0.00 178.00 176.99 2k0b n ARG 9 N -3.57 0.68 0.01 1.05 1.74 -1.26 -4.05 116.66 111.26 2k0b n ARG 9 Ca 0.19 0.24 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 2k0b n ARG 9 Cb 1.17 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 30.76 2k0b n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k0b n LEU 10 N -3.17 0.17 0.14 0.55 4.77 0.98 -0.85 117.00 119.60 2k0b n LEU 10 Ca -0.26 0.03 0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2k0b n LEU 10 Cb 1.06 -0.01 0.46 0.00 -2.33 0.00 0.00 43.42 42.60 2k0b n LEU 10 CO 0.43 -0.02 0.88 -0.29 -1.33 0.00 0.00 177.39 177.06 2k0b h ILE 11 N 0.00 0.00 0.00 -0.08 2.10 0.61 0.75 117.51 120.90 2k0b h ILE 11 Ca 0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.56 2k0b h ILE 11 Cb 0.98 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 2k0b h ILE 11 CO 0.00 0.00 -0.68 1.21 -1.08 0.00 0.00 178.15 177.60 2k0b n GLU 12 N -2.35 0.45 0.03 2.19 0.00 -1.23 -4.21 120.64 115.52 2k0b n GLU 12 Ca 0.03 0.36 -0.01 0.00 0.00 0.00 0.00 57.16 57.54 2k0b n GLU 12 Cb 0.32 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.17 2k0b n GLU 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2k0b h SER 13 N -0.93 0.00 0.09 4.31 0.02 -1.04 -2.98 113.55 113.03 2k0b h SER 13 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2k0b h SER 13 Cb 0.68 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2k0b h SER 13 CO 0.00 0.64 -2.11 -0.11 -1.14 0.00 0.00 176.83 174.12 2k0b n LEU 14 N -2.93 2.70 0.20 5.07 0.00 0.25 -3.89 117.00 118.40 2k0b n LEU 14 Ca -0.10 0.13 0.14 0.00 0.00 0.00 0.00 56.01 56.18 2k0b n LEU 14 Cb 0.87 -1.06 0.58 0.00 0.00 0.00 0.00 43.42 43.81 2k0b n LEU 14 CO 0.43 0.86 0.92 -1.28 0.00 0.00 0.00 177.39 178.32 2k0b h SER 15 N 0.01 0.00 -0.18 1.96 0.87 0.22 -1.89 113.55 114.54 2k0b h SER 15 Ca -0.47 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.14 2k0b h SER 15 Cb 1.98 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.89 2k0b h SER 15 CO 0.03 0.00 -0.09 -0.61 -0.53 0.00 0.00 176.83 175.63 2k0b h GLN 16 N 0.00 -0.07 0.00 2.24 -0.00 -1.63 -0.83 115.11 114.81 2k0b h GLN 16 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.55 2k0b h GLN 16 Cb 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.91 2k0b h GLN 16 CO 0.00 -0.05 -1.36 0.00 0.00 0.00 0.00 178.83 177.42 2k0b n MET 17 N -5.24 0.62 -0.26 1.69 0.00 -1.17 -3.36 117.12 109.40 2k0b n MET 17 Ca -0.02 0.15 -0.07 0.00 0.00 0.00 0.00 57.70 57.76 2k0b n MET 17 Cb 0.17 -1.78 0.05 0.00 0.00 0.00 0.00 33.22 31.65 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 1.00 -2.64 3.17 5.85 -1.08 -1.61 115.31 120.01 2k0b h LEU 18 Ca -0.11 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2k0b h LEU 18 Cb 1.38 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2k0b h LEU 18 CO 0.03 0.92 0.00 -0.24 -0.34 0.00 0.00 178.44 178.80 2k0b n SER 19 N -4.34 3.85 -0.08 1.25 2.88 -0.34 -4.25 113.62 112.59 2k0b n SER 19 Ca 0.06 -2.00 -0.08 0.00 -1.33 0.00 0.00 58.87 55.51 2k0b n SER 19 Cb 0.19 -0.46 -0.12 0.00 -0.75 0.00 0.00 64.21 63.07 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 1.62 1.32 0.00 -1.46 0.00 -0.98 -5.03 117.12 112.59 2k0b n MET 20 Ca 0.24 0.01 0.00 0.00 -0.00 0.00 0.00 57.70 57.95 2k0b n MET 20 Cb 0.61 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.43 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 2.09 0.84 3.63 -5.12 0.00 -0.79 -5.06 105.19 100.77 2k0b n GLY 21 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.17 1.80 0.13 1.61 0.08 -0.67 -5.08 117.98 114.69 2k0b s PHE 22 Ca 0.00 -1.17 -0.24 0.00 0.12 0.00 0.00 56.93 55.64 2k0b s PHE 22 Cb 0.00 -1.35 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 2k0b s PHE 22 CO 0.00 -0.09 0.66 -1.12 -0.10 0.00 0.00 175.22 174.57 2k0b s SER 23 N -3.73 -0.52 0.65 1.36 0.01 -1.26 -4.67 113.70 105.54 2k0b s SER 23 Ca 0.15 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.29 2k0b s SER 23 Cb 0.02 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 2k0b s SER 23 CO 0.09 -0.91 1.05 1.51 0.41 0.00 0.00 173.24 175.39 2k0b s ASP 24 N -2.70 5.87 0.62 2.44 -4.77 -1.26 -4.61 116.67 112.25 2k0b s ASP 24 Ca 0.02 1.45 0.40 0.00 -3.30 0.00 0.00 52.55 51.11 2k0b s ASP 24 Cb -0.01 -2.42 1.98 0.00 -1.09 0.00 0.00 42.92 41.38 2k0b s ASP 24 CO -0.12 -1.11 2.21 1.05 0.70 0.00 0.00 175.17 177.91 2k0b h GLU 25 N -0.49 0.00 0.00 2.11 4.11 -1.83 -3.43 114.58 115.05 2k0b h GLU 25 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2k0b h GLU 25 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k0b h GLU 25 CO 0.61 0.01 0.00 0.41 0.07 0.00 0.00 179.01 180.10 2k0b n GLY 26 N -0.65 0.00 0.00 1.06 0.00 -1.26 -5.03 105.19 99.31 2k0b n GLY 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.21 0.15 -0.02 0.00 -1.26 -5.03 105.19 99.24 2k0b n GLY 27 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0b n GLY 27 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2k0b h TRP 28 N 0.00 0.00 -0.06 1.61 5.08 -1.96 -3.35 115.95 117.28 2k0b h TRP 28 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 2k0b h TRP 28 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2k0b h TRP 28 CO 0.00 0.00 0.22 1.25 -1.28 0.00 0.00 178.44 178.64 2k0b h LEU 29 N 0.00 0.00 0.02 0.11 5.85 -1.95 1.01 115.31 120.35 2k0b h LEU 29 Ca -0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 2k0b h LEU 29 Cb 1.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2k0b h LEU 29 CO 0.00 0.00 -1.74 0.00 -0.34 0.00 0.00 178.44 176.37 2k0b h THR 30 N 0.00 0.83 0.00 1.05 1.03 -1.99 -3.38 112.91 110.46 2k0b h THR 30 Ca 0.03 -2.66 -0.28 0.00 -0.01 0.00 0.00 66.41 63.48 2k0b h THR 30 Cb 0.47 2.45 -0.04 0.00 -1.07 0.00 0.00 68.15 69.96 2k0b h THR 30 CO -0.00 0.56 -1.70 -2.11 -0.01 0.00 0.00 175.52 172.27 2k0b n ARG 31 N -3.13 0.56 -0.13 0.00 1.85 0.49 -4.20 116.66 112.11 2k0b n ARG 31 Ca -0.19 0.40 -0.05 0.00 -1.00 0.00 0.00 57.85 57.02 2k0b n ARG 31 Cb 1.05 -1.60 0.02 0.00 -1.05 0.00 0.00 32.46 30.87 2k0b n ARG 31 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2k0b h LEU 32 N -1.00 -0.66 0.00 2.89 7.12 0.65 0.64 115.31 124.95 2k0b h LEU 32 Ca -0.43 0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.74 2k0b h LEU 32 Cb 1.32 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 2k0b h LEU 32 CO -0.26 -0.22 0.00 0.18 -0.13 0.00 0.00 178.44 178.01 2k0b n LEU 33 N -5.38 0.00 -0.06 2.25 4.32 -1.25 -2.17 117.00 114.71 2k0b n LEU 33 Ca 0.03 0.45 -0.18 0.00 -0.02 0.00 0.00 56.01 56.29 2k0b n LEU 33 Cb 0.29 -0.45 -0.13 0.00 -1.62 0.00 0.00 43.42 41.50 2k0b n LEU 33 CO 0.10 -0.18 -1.02 1.67 -1.22 0.00 0.00 177.39 176.74 2k0b n GLN 34 N -1.45 0.70 0.03 3.23 -0.06 0.08 -1.27 117.38 118.64 2k0b n GLN 34 Ca 0.05 0.20 -0.19 0.00 -2.00 0.00 0.00 57.00 55.07 2k0b n GLN 34 Cb 0.19 -1.63 -0.09 0.00 -4.06 0.00 0.00 30.24 24.65 2k0b n GLN 34 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2k0b h THR 35 N 0.03 1.29 0.00 1.69 1.35 -1.09 -3.27 112.91 112.91 2k0b h THR 35 Ca -0.48 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2k0b h THR 35 Cb 2.00 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 70.69 2k0b h THR 35 CO 0.02 0.68 0.00 0.29 -0.25 0.00 0.00 175.52 176.25 2k0b n LYS 36 N -3.87 0.92 -4.33 4.72 4.01 -0.92 -4.75 118.16 113.94 2k0b n LYS 36 Ca -0.10 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.36 2k0b n LYS 36 Cb 0.84 -1.04 -0.07 0.00 -0.51 0.00 0.00 35.03 34.24 2k0b n LYS 36 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2k0b n ASN 37 N 1.33 -0.52 -2.90 4.39 6.94 -1.23 -2.94 115.26 120.32 2k0b n ASN 37 Ca 0.00 -1.20 -0.07 0.00 -0.02 0.00 0.00 54.58 53.29 2k0b n ASN 37 Cb 0.46 -1.93 0.01 0.00 -2.36 0.00 0.00 39.78 35.96 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 -3.38 -4.23 -2.53 4.02 -0.39 -5.04 117.16 101.22 2k0b n TYR 38 Ca -0.15 1.35 -0.17 0.00 -0.01 0.00 0.00 57.90 58.92 2k0b n TYR 38 Cb 0.60 -4.08 -0.15 0.00 -0.02 0.00 0.00 39.34 35.69 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 -2.68 0.80 0.00 7.72 2.15 -1.15 -4.94 116.67 118.56 2k0b s ASP 39 Ca 0.20 -0.12 0.25 0.00 0.43 0.00 0.00 52.55 53.31 2k0b s ASP 39 Cb -0.05 -0.13 0.51 0.00 -0.30 0.00 0.00 42.92 42.94 2k0b s ASP 39 CO 0.77 0.06 1.42 2.30 -0.17 0.00 0.00 175.17 179.55 2k0b n ILE 40 N 3.06 0.00 -0.01 4.11 -0.00 -1.26 -3.27 119.36 121.99 2k0b n ILE 40 Ca -0.15 -0.01 0.01 0.00 -0.00 0.00 0.00 62.75 62.61 2k0b n ILE 40 Cb 0.57 0.27 0.34 0.00 -0.00 0.00 0.00 39.64 40.81 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 5.00 0.58 0.10 3.28 0.00 -1.96 0.71 103.07 110.78 2k0b h GLY 41 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k0b h GLY 41 CO 0.00 0.28 -1.45 0.00 0.00 0.00 0.00 176.54 175.37 2k0b n ALA 42 N -2.48 3.66 0.07 3.60 0.00 -1.25 -4.11 120.51 120.01 2k0b n ALA 42 Ca 0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 2k0b n ALA 42 Cb 0.18 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 2.47 0.31 -0.10 0.00 0.00 -1.37 -3.13 119.26 117.44 2k0b h ALA 43 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.06 2k0b h ALA 43 Cb 0.76 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k0b h ALA 43 CO 0.00 0.83 -0.46 -0.07 0.00 0.00 0.00 179.25 179.55 2k0b h LEU 44 N 0.21 0.27 -1.73 0.00 4.07 -1.06 -1.15 115.31 115.91 2k0b h LEU 44 Ca -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 2k0b h LEU 44 Cb 1.65 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 2k0b h LEU 44 CO 0.17 0.69 0.07 -0.78 -1.08 0.00 0.00 178.44 177.51 2k0b h ASP 45 N 0.21 0.21 0.07 -0.43 3.58 -1.70 -2.85 116.42 115.51 2k0b h ASP 45 Ca 0.01 -0.01 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 2k0b h ASP 45 Cb 0.89 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.82 2k0b h ASP 45 CO 0.07 0.20 -2.30 0.35 -2.88 0.00 0.00 179.24 174.68 2k0b n THR 46 N -4.46 1.48 -0.01 2.25 -2.24 -0.98 -3.89 114.28 106.42 2k0b n THR 46 Ca -0.00 -0.75 -0.02 0.00 -2.27 0.00 0.00 64.05 61.01 2k0b n THR 46 Cb 0.12 -0.93 0.23 0.00 -2.10 0.00 0.00 70.33 67.64 2k0b n THR 46 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2k0b h ILE 47 N 0.01 1.24 0.00 2.28 3.07 -1.24 -3.42 117.51 119.44 2k0b h ILE 47 Ca -0.52 -1.04 0.00 0.00 1.55 0.00 0.00 64.86 64.85 2k0b h ILE 47 Cb 2.09 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 2k0b h ILE 47 CO 0.00 0.35 0.00 0.00 -1.05 0.00 0.00 178.15 177.45 2k0b n GLN 48 N -4.20 0.00 -0.47 0.16 3.00 -1.25 -4.67 117.38 109.95 2k0b n GLN 48 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 2k0b n GLN 48 Cb 0.33 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.64 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 -0.74 -3.62 -1.89 1.08 4.01 -1.08 -5.03 117.16 109.89 2k0b n TYR 49 Ca 0.00 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 2k0b n TYR 49 Cb 0.00 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 2k0b n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2k0b n SER 50 N -3.45 0.00 -3.76 7.72 3.41 -1.25 -4.29 113.62 112.00 2k0b n SER 50 Ca 0.05 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.33 2k0b n SER 50 Cb 0.19 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 2k0b n SER 50 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2k0b s LYS 51 N 0.00 1.01 0.00 4.33 -2.85 -1.26 -4.99 119.74 115.97 2k0b s LYS 51 Ca 0.00 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 2k0b s LYS 51 Cb 0.00 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 2k0b s LYS 51 CO 0.00 -0.37 0.00 1.58 0.10 0.00 0.00 175.35 176.66