#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 5.32 0.57 1.61 0.01 -1.26 -5.11 113.70 114.84 2k0b s SER 2 Ca 0.00 -0.03 -0.16 0.00 1.31 0.00 0.00 55.95 57.07 2k0b s SER 2 Cb 0.00 -1.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.79 2k0b s SER 2 CO 0.00 0.21 1.04 -2.84 0.41 0.00 0.00 173.24 172.07 2k0b s PRO 3 N -2.07 3.47 0.00 12.44 0.02 -1.26 -4.87 135.00 142.74 2k0b s PRO 3 Ca 0.25 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.42 2k0b s PRO 3 Cb -0.12 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2k0b s PRO 3 CO 0.17 -0.68 0.42 -0.35 -0.33 0.00 0.00 177.00 176.22 2k0b n PRO 4 N -1.90 0.71 -0.09 5.54 -0.04 -1.26 -1.39 135.00 136.56 2k0b n PRO 4 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2k0b n PRO 4 Cb 0.53 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.23 0.32 -2.68 0.54 4.71 -1.26 -4.85 120.64 117.64 2k0b n GLU 5 Ca 0.00 -0.74 -0.06 0.00 -0.01 0.00 0.00 57.16 56.36 2k0b n GLU 5 Cb 0.21 -0.57 0.07 0.00 -1.01 0.00 0.00 31.44 30.13 2k0b n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k0b n ALA 6 N -0.08 -0.31 -2.17 0.62 0.00 -0.49 -4.92 120.51 113.15 2k0b n ALA 6 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 53.44 52.19 2k0b n ALA 6 Cb 0.52 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.80 6.49 0.29 0.00 1.01 -1.00 -4.09 116.67 118.57 2k0b s ASP 7 Ca 0.15 1.14 0.20 0.00 0.71 0.00 0.00 52.55 54.75 2k0b s ASP 7 Cb 0.27 -2.33 1.05 0.00 1.01 0.00 0.00 42.92 42.92 2k0b s ASP 7 CO -0.06 -0.44 1.60 -0.81 0.21 0.00 0.00 175.17 175.67 2k0b n PRO 8 N -1.46 0.13 -0.05 8.23 -0.04 -1.26 0.11 135.00 140.66 2k0b n PRO 8 Ca 0.02 0.61 -0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2k0b n PRO 8 Cb 0.54 -1.91 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 2k0b n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k0b n ARG 9 N -2.18 0.66 0.01 0.54 1.74 -1.26 -4.33 116.66 111.83 2k0b n ARG 9 Ca -0.01 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.37 2k0b n ARG 9 Cb 0.04 -1.69 -0.13 0.00 -1.02 0.00 0.00 32.46 29.66 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 -2.97 0.26 0.18 0.55 4.77 0.85 -2.21 117.00 118.43 2k0b n LEU 10 Ca -0.24 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2k0b n LEU 10 Cb 1.09 -0.01 0.59 0.00 -2.33 0.00 0.00 43.42 42.75 2k0b n LEU 10 CO 0.44 0.01 0.90 0.40 -1.33 0.00 0.00 177.39 177.81 2k0b h ILE 11 N 0.00 0.00 0.00 -0.08 1.08 0.52 0.91 117.51 119.93 2k0b h ILE 11 Ca 0.00 -0.26 -0.16 0.00 -0.39 0.00 0.00 64.86 64.05 2k0b h ILE 11 Cb 0.92 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 2k0b h ILE 11 CO 0.00 0.00 -1.21 1.21 -0.69 0.00 0.00 178.15 177.46 2k0b n GLU 12 N -2.49 0.53 -0.03 2.37 2.13 -1.24 -4.16 120.64 117.74 2k0b n GLU 12 Ca 0.01 0.45 -0.05 0.00 0.66 0.00 0.00 57.16 58.23 2k0b n GLU 12 Cb 0.22 -1.63 -0.13 0.00 0.27 0.00 0.00 31.44 30.16 2k0b n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k0b n SER 13 N -4.46 0.49 -0.10 4.31 2.88 -0.94 -3.54 113.62 112.25 2k0b n SER 13 Ca -0.25 0.22 -0.24 0.00 -1.33 0.00 0.00 58.87 57.27 2k0b n SER 13 Cb 0.56 0.55 -0.11 0.00 -0.75 0.00 0.00 64.21 64.46 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 -2.83 2.12 0.24 2.46 0.00 0.15 -4.25 117.00 114.89 2k0b n LEU 14 Ca -0.19 0.31 0.08 0.00 0.00 0.00 0.00 56.01 56.20 2k0b n LEU 14 Cb 0.99 -0.93 0.60 0.00 0.00 0.00 0.00 43.42 44.07 2k0b n LEU 14 CO 0.44 0.53 0.96 -1.28 0.00 0.00 0.00 177.39 178.04 2k0b h SER 15 N -0.75 0.00 -0.85 1.96 0.87 0.39 -0.99 113.55 114.18 2k0b h SER 15 Ca -0.51 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.23 2k0b h SER 15 Cb 1.58 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.43 2k0b h SER 15 CO -0.23 0.13 0.38 -0.61 -0.53 0.00 0.00 176.83 175.96 2k0b h GLN 16 N 0.00 0.47 0.00 2.24 -0.00 -1.72 -2.03 115.11 114.07 2k0b h GLN 16 Ca -0.00 -0.03 -0.37 0.00 -0.00 0.00 0.00 58.65 58.26 2k0b h GLN 16 Cb 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 27.48 27.55 2k0b h GLN 16 CO 0.02 0.31 -2.34 0.00 0.00 0.00 0.00 178.83 176.81 2k0b n MET 17 N -4.98 0.68 0.03 1.69 0.00 -0.95 -3.72 117.12 109.88 2k0b n MET 17 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 57.70 57.90 2k0b n MET 17 Cb 0.53 -1.54 0.28 0.00 0.00 0.00 0.00 33.22 32.48 2k0b n MET 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2k0b h LEU 18 N 0.00 0.42 0.00 3.17 -0.00 -0.94 0.10 115.31 118.06 2k0b h LEU 18 Ca -0.53 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.24 2k0b h LEU 18 Cb 2.22 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.77 2k0b h LEU 18 CO 0.03 0.59 -1.14 -1.54 -0.00 0.00 0.00 178.44 176.37 2k0b n SER 19 N -4.21 0.76 0.08 -0.43 3.41 -0.78 -4.29 113.62 108.15 2k0b n SER 19 Ca 0.00 -0.70 0.04 0.00 -0.26 0.00 0.00 58.87 57.95 2k0b n SER 19 Cb 0.32 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 2k0b n SER 19 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2k0b h MET 20 N 0.00 0.00 0.00 4.33 1.85 -1.61 -3.48 114.93 116.02 2k0b h MET 20 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2k0b h MET 20 Cb 0.61 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.64 2k0b h MET 20 CO 0.00 0.23 0.00 0.41 -0.40 0.00 0.00 176.91 177.15 2k0b n GLY 21 N 1.30 0.93 1.63 1.39 0.00 -0.97 -5.07 105.19 104.39 2k0b n GLY 21 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2k0b n GLY 21 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k0b n PHE 22 N 0.00 0.01 -2.58 1.61 3.01 -0.02 -5.06 117.46 114.43 2k0b n PHE 22 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 57.45 57.38 2k0b n PHE 22 Cb 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 2k0b n PHE 22 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2k0b n SER 23 N -1.39 0.00 -4.24 4.37 7.64 -1.26 -4.73 113.62 114.00 2k0b n SER 23 Ca -0.07 -0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.38 2k0b n SER 23 Cb 0.28 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.33 2k0b n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k0b s ASP 24 N 1.26 3.62 -0.72 6.43 2.15 -1.26 -4.92 116.67 123.23 2k0b s ASP 24 Ca 0.00 -0.50 0.05 0.00 0.43 0.00 0.00 52.55 52.53 2k0b s ASP 24 Cb 0.00 -1.56 0.18 0.00 -0.30 0.00 0.00 42.92 41.24 2k0b s ASP 24 CO 0.00 0.06 0.55 1.21 -0.17 0.00 0.00 175.17 176.82 2k0b n GLU 25 N 4.23 1.99 0.00 4.34 2.13 -1.26 -4.68 120.64 127.38 2k0b n GLU 25 Ca -0.19 -4.52 0.00 0.00 0.66 0.00 0.00 57.16 53.11 2k0b n GLU 25 Cb 0.51 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.93 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 1.86 1.03 1.06 8.31 0.00 -1.26 -4.63 105.19 111.56 2k0b n GLY 26 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.72 0.26 -0.02 0.00 -1.26 -4.95 105.19 99.94 2k0b n GLY 27 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.54 -0.12 1.61 5.08 -1.94 -3.31 115.95 117.81 2k0b h TRP 28 Ca 0.00 -0.07 0.04 0.00 1.08 0.00 0.00 58.89 59.93 2k0b h TRP 28 Cb 0.00 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.01 2k0b h TRP 28 CO 0.00 0.59 0.27 1.25 -1.28 0.00 0.00 178.44 179.27 2k0b h LEU 29 N 0.48 0.00 0.02 0.11 5.85 -1.94 1.07 115.31 120.90 2k0b h LEU 29 Ca 0.09 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.47 2k0b h LEU 29 Cb 0.44 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2k0b h LEU 29 CO 0.02 0.00 -2.07 0.35 -0.34 0.00 0.00 178.44 176.41 2k0b n THR 30 N -3.30 1.55 -0.05 1.05 -2.24 -1.24 -4.31 114.28 105.73 2k0b n THR 30 Ca 0.00 -0.77 -0.20 0.00 -2.27 0.00 0.00 64.05 60.81 2k0b n THR 30 Cb 0.36 -0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 67.48 2k0b n THR 30 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2k0b n ARG 31 N -3.03 0.72 0.31 -0.78 1.85 -0.20 -3.75 116.66 111.78 2k0b n ARG 31 Ca -0.28 0.22 -0.16 0.00 -1.00 0.00 0.00 57.85 56.63 2k0b n ARG 31 Cb 1.08 -1.63 -0.08 0.00 -1.05 0.00 0.00 32.46 30.77 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 0.03 -0.66 -0.22 2.89 7.12 0.85 -2.30 115.31 123.03 2k0b h LEU 32 Ca -0.49 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 57.56 2k0b h LEU 32 Cb 1.98 0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 42.23 2k0b h LEU 32 CO 0.01 -0.40 -0.08 -0.07 -0.13 0.00 0.00 178.44 177.77 2k0b h LEU 33 N -0.87 -0.28 -0.51 2.25 4.07 -1.75 -1.47 115.31 116.75 2k0b h LEU 33 Ca -0.08 0.08 0.10 0.00 0.08 0.00 0.00 57.88 58.05 2k0b h LEU 33 Cb 0.63 0.17 -0.10 0.00 1.08 0.00 0.00 40.66 42.43 2k0b h LEU 33 CO 0.13 -0.11 -0.29 -0.61 -1.08 0.00 0.00 178.44 176.49 2k0b h GLN 34 N -0.04 -0.16 0.00 1.13 5.75 -1.63 0.88 115.11 121.04 2k0b h GLN 34 Ca 0.11 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2k0b h GLN 34 Cb 0.21 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2k0b h GLN 34 CO -0.25 -0.10 -0.27 1.15 -2.65 0.00 0.00 178.83 176.71 2k0b h THR 35 N -0.16 0.59 -0.77 2.39 2.02 -1.21 -3.02 112.91 112.75 2k0b h THR 35 Ca 0.22 -1.34 -0.44 0.00 0.77 0.00 0.00 66.41 65.62 2k0b h THR 35 Cb 0.52 1.91 -0.23 0.00 -1.74 0.00 0.00 68.15 68.61 2k0b h THR 35 CO -0.61 0.27 0.57 0.29 0.37 0.00 0.00 175.52 176.41 2k0b n LYS 36 N -3.35 2.08 -3.44 6.66 4.01 -0.07 -4.88 118.16 119.18 2k0b n LYS 36 Ca 0.01 -2.39 -0.23 0.00 -0.51 0.00 0.00 58.31 55.19 2k0b n LYS 36 Cb 0.50 -1.94 -0.02 0.00 -0.51 0.00 0.00 35.03 33.07 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 -0.61 -3.06 -2.52 4.39 0.23 -0.88 -2.16 115.26 110.65 2k0b n ASN 37 Ca 0.47 -0.41 -0.00 0.00 -0.53 0.00 0.00 54.58 54.11 2k0b n ASN 37 Cb 1.12 -2.57 0.00 0.00 -2.08 0.00 0.00 39.78 36.25 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 -3.77 -1.95 -5.15 -2.53 4.01 0.29 -5.00 117.16 103.06 2k0b n TYR 38 Ca 0.01 0.74 -0.29 0.00 -0.16 0.00 0.00 57.90 58.20 2k0b n TYR 38 Cb 0.52 -3.21 -0.16 0.00 -0.31 0.00 0.00 39.34 36.18 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 -2.66 2.77 0.00 7.72 2.15 -0.92 -4.83 116.67 120.91 2k0b s ASP 39 Ca 0.00 -0.44 0.25 0.00 0.43 0.00 0.00 52.55 52.79 2k0b s ASP 39 Cb -0.00 -0.54 0.55 0.00 -0.30 0.00 0.00 42.92 42.63 2k0b s ASP 39 CO 0.49 0.25 1.44 2.30 -0.17 0.00 0.00 175.17 179.48 2k0b n ILE 40 N 2.76 0.00 -0.03 4.11 -0.00 -1.26 -3.25 119.36 121.69 2k0b n ILE 40 Ca -0.17 -0.04 -0.11 0.00 -0.00 0.00 0.00 62.75 62.43 2k0b n ILE 40 Cb 0.52 0.32 -0.05 0.00 -0.00 0.00 0.00 39.64 40.43 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 4.98 0.22 0.65 3.28 0.00 -1.95 -2.40 103.07 107.84 2k0b h GLY 41 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2k0b h GLY 41 CO 0.00 0.11 -0.71 0.00 0.00 0.00 0.00 176.54 175.93 2k0b n ALA 42 N -2.21 3.90 -0.04 3.60 0.00 -1.26 -4.24 120.51 120.26 2k0b n ALA 42 Ca -0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 2k0b n ALA 42 Cb 0.11 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 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 2.94 0.17 0.00 0.00 0.00 -1.47 -3.07 119.26 117.82 2k0b h ALA 43 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k0b h ALA 43 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k0b h ALA 43 CO 0.00 -0.05 -0.01 -0.07 0.00 0.00 0.00 179.25 179.11 2k0b h LEU 44 N -0.10 0.00 -1.29 0.00 4.07 -1.62 -2.92 115.31 113.45 2k0b h LEU 44 Ca 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2k0b h LEU 44 Cb 0.51 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 2k0b h LEU 44 CO 0.02 0.01 -0.16 -0.78 -1.08 0.00 0.00 178.44 176.45 2k0b h ASP 45 N 0.00 0.00 0.39 -0.43 1.82 -1.65 -0.26 116.42 116.28 2k0b h ASP 45 Ca -0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 2k0b h ASP 45 Cb 0.59 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 2k0b h ASP 45 CO 0.00 0.16 -1.72 0.35 -1.61 0.00 0.00 179.24 176.42 2k0b n THR 46 N -3.34 0.72 -0.06 2.25 -2.24 -1.10 -4.27 114.28 106.23 2k0b n THR 46 Ca 0.00 -0.63 -0.03 0.00 -2.27 0.00 0.00 64.05 61.12 2k0b n THR 46 Cb 0.38 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.61 0.81 0.08 2.28 -5.35 -1.22 -4.80 119.36 108.54 2k0b n ILE 47 Ca -0.10 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 2k0b n ILE 47 Cb 0.76 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 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 -2.49 0.00 -1.77 6.28 6.02 -1.18 -4.94 117.38 119.31 2k0b n GLN 48 Ca -0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.49 2k0b n GLN 48 Cb 0.88 0.00 0.17 0.00 1.02 0.00 0.00 30.24 32.31 2k0b n GLN 48 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2k0b s TYR 49 N -2.00 1.73 0.00 1.08 1.51 -0.12 -5.00 117.35 114.56 2k0b s TYR 49 Ca 0.00 0.46 0.00 0.00 -1.01 0.00 0.00 57.07 56.52 2k0b s TYR 49 Cb 0.00 -3.86 0.00 0.00 -0.11 0.00 0.00 41.96 37.99 2k0b s TYR 49 CO 0.00 -2.67 0.00 0.45 -1.11 0.00 0.00 175.55 172.22 2k0b n SER 50 N -3.84 0.00 -3.60 2.29 2.88 -1.26 -3.92 113.62 106.17 2k0b n SER 50 Ca 0.13 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.53 2k0b n SER 50 Cb 0.60 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.99 2k0b n SER 50 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2k0b s LYS 51 N 0.00 0.81 0.00 -1.46 2.20 -1.26 -5.09 119.74 114.94 2k0b s LYS 51 Ca 0.00 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 2k0b s LYS 51 Cb 0.00 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 2k0b s LYS 51 CO 0.00 -0.16 0.50 0.72 -0.36 0.00 0.00 175.35 176.04