#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 4.69 0.15 1.61 0.01 -1.26 -5.08 113.70 113.83 2k0b s SER 2 Ca 0.00 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2k0b s SER 2 Cb 0.00 -1.80 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 2k0b s SER 2 CO 0.00 0.05 1.19 -2.84 0.41 0.00 0.00 173.24 172.05 2k0b s PRO 3 N 1.07 4.49 0.07 12.44 0.02 -1.26 -4.91 135.00 146.92 2k0b s PRO 3 Ca 0.02 1.83 -0.35 0.00 0.02 0.00 0.00 61.00 62.52 2k0b s PRO 3 Cb -0.14 -3.27 -0.14 0.00 0.02 0.00 0.00 34.50 30.97 2k0b s PRO 3 CO 0.01 -0.11 1.61 -2.30 -0.33 0.00 0.00 177.00 175.89 2k0b n PRO 4 N 2.83 1.94 -1.60 5.54 -0.02 -1.26 -0.92 135.00 141.52 2k0b n PRO 4 Ca 0.05 0.70 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2k0b n PRO 4 Cb 0.45 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 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 4.08 -0.69 -2.14 -0.52 -0.58 -1.26 -4.83 120.64 114.70 2k0b n GLU 5 Ca 0.19 0.70 -0.02 0.00 -0.42 0.00 0.00 57.16 57.60 2k0b n GLU 5 Cb 0.27 -4.64 0.05 0.00 -0.57 0.00 0.00 31.44 26.55 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 0.22 3.04 -1.51 0.62 0.00 -0.10 -4.72 120.51 118.06 2k0b n ALA 6 Ca -0.10 -1.32 -0.33 0.00 0.00 0.00 0.00 53.44 51.69 2k0b n ALA 6 Cb 0.41 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.61 5.14 0.56 0.00 1.01 -1.15 -4.30 116.67 116.33 2k0b s ASP 7 Ca 0.12 1.96 0.24 0.00 0.71 0.00 0.00 52.55 55.58 2k0b s ASP 7 Cb 0.30 -2.55 1.33 0.00 1.01 0.00 0.00 42.92 43.02 2k0b s ASP 7 CO -0.08 -1.61 1.72 -0.65 0.21 0.00 0.00 175.17 174.76 2k0b h PRO 8 N -0.03 0.00 0.05 8.23 0.11 -1.98 0.81 132.00 139.19 2k0b h PRO 8 Ca -0.46 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 2k0b h PRO 8 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2k0b h PRO 8 CO 0.54 0.00 -2.08 0.54 -0.21 0.00 0.00 178.00 176.79 2k0b n ARG 9 N -2.62 0.69 -0.04 1.05 5.12 -1.26 -4.21 116.66 115.39 2k0b n ARG 9 Ca -0.02 0.21 -0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2k0b n ARG 9 Cb 0.36 -1.66 -0.15 0.00 -1.16 0.00 0.00 32.46 29.85 2k0b n ARG 9 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k0b n LEU 10 N -3.21 0.15 0.13 0.55 4.77 0.68 -1.18 117.00 118.89 2k0b n LEU 10 Ca -0.31 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2k0b n LEU 10 Cb 1.05 0.23 0.48 0.00 -2.33 0.00 0.00 43.42 42.86 2k0b n LEU 10 CO 0.40 0.24 0.85 0.00 -1.33 0.00 0.00 177.39 177.55 2k0b n ILE 11 N -2.58 0.82 -0.12 -0.08 3.06 0.25 0.73 119.36 121.43 2k0b n ILE 11 Ca -0.18 0.20 -0.23 0.00 -2.50 0.00 0.00 62.75 60.05 2k0b n ILE 11 Cb 0.87 -1.13 -0.09 0.00 0.54 0.00 0.00 39.64 39.84 2k0b n ILE 11 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2k0b n GLU 12 N -2.22 0.56 -0.05 9.51 4.07 -1.24 -4.26 120.64 127.00 2k0b n GLU 12 Ca 0.02 0.36 -0.12 0.00 -0.06 0.00 0.00 57.16 57.36 2k0b n GLU 12 Cb 0.24 -1.56 -0.14 0.00 -0.06 0.00 0.00 31.44 29.91 2k0b n GLU 12 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2k0b n SER 13 N -4.36 0.92 -0.03 4.31 2.88 -0.32 -3.96 113.62 113.06 2k0b n SER 13 Ca -0.39 0.19 -0.20 0.00 -1.33 0.00 0.00 58.87 57.14 2k0b n SER 13 Cb 0.73 0.11 -0.14 0.00 -0.75 0.00 0.00 64.21 64.16 2k0b n SER 13 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k0b n LEU 14 N -3.04 2.55 0.30 2.46 4.77 0.56 -4.15 117.00 120.44 2k0b n LEU 14 Ca -0.28 0.15 0.18 0.00 -0.03 0.00 0.00 56.01 56.02 2k0b n LEU 14 Cb 1.08 -0.96 0.93 0.00 -2.33 0.00 0.00 43.42 42.14 2k0b n LEU 14 CO 0.42 0.84 1.08 -1.28 -1.33 0.00 0.00 177.39 177.11 2k0b h SER 15 N 0.05 0.00 0.69 -1.43 0.87 0.12 -0.01 113.55 113.85 2k0b h SER 15 Ca -0.45 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 2k0b h SER 15 Cb 2.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.95 2k0b h SER 15 CO 0.05 0.04 -0.58 0.06 -0.53 0.00 0.00 176.83 175.86 2k0b h GLN 16 N 0.00 0.00 -0.23 2.24 -0.00 -1.72 -0.68 115.11 114.71 2k0b h GLN 16 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 2k0b h GLN 16 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 2k0b h GLN 16 CO 0.00 0.58 -0.64 0.52 -0.00 0.00 0.00 178.83 179.30 2k0b h MET 17 N 0.00 0.84 0.00 0.06 2.86 -1.21 -0.47 114.93 117.01 2k0b h MET 17 Ca -0.01 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2k0b h MET 17 Cb 1.09 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2k0b h MET 17 CO 0.08 1.22 0.00 1.28 1.06 0.00 0.00 176.91 180.55 2k0b n LEU 18 N -3.99 0.58 -0.12 1.22 4.32 -0.63 -0.77 117.00 117.62 2k0b n LEU 18 Ca -0.06 0.66 -0.19 0.00 -0.02 0.00 0.00 56.01 56.40 2k0b n LEU 18 Cb 0.68 -0.60 -0.12 0.00 -1.62 0.00 0.00 43.42 41.76 2k0b n LEU 18 CO 0.51 -0.58 -1.30 -0.24 -1.22 0.00 0.00 177.39 174.56 2k0b n SER 19 N -2.16 1.99 0.04 -1.43 2.88 -0.30 -4.58 113.62 110.07 2k0b n SER 19 Ca 0.02 -0.06 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 2k0b n SER 19 Cb 0.19 -0.50 -0.13 0.00 -0.75 0.00 0.00 64.21 63.02 2k0b n SER 19 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2k0b h MET 20 N -0.09 0.11 0.00 -1.46 2.86 -1.01 -3.49 114.93 111.85 2k0b h MET 20 Ca -0.57 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 2k0b h MET 20 Cb 1.88 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.61 2k0b h MET 20 CO -0.10 0.94 0.00 0.41 1.06 0.00 0.00 176.91 179.21 2k0b n GLY 21 N 1.52 0.88 3.55 8.32 0.00 -0.08 -5.08 105.19 114.31 2k0b n GLY 21 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.85 2.47 0.00 1.61 0.08 0.05 -5.04 117.98 116.29 2k0b s PHE 22 Ca 0.00 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2k0b s PHE 22 Cb 0.00 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 2k0b s PHE 22 CO 0.00 0.65 0.00 0.43 -0.10 0.00 0.00 175.22 176.20 2k0b n SER 23 N -0.77 0.15 -4.10 1.36 7.64 -1.26 -4.33 113.62 112.30 2k0b n SER 23 Ca -0.05 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.51 2k0b n SER 23 Cb 0.60 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.64 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 1.04 2.92 0.03 6.43 -4.77 -1.26 -4.82 116.67 116.25 2k0b s ASP 24 Ca 0.00 -0.57 -0.22 0.00 -3.30 0.00 0.00 52.55 48.46 2k0b s ASP 24 Cb 0.00 -1.35 -0.15 0.00 -1.09 0.00 0.00 42.92 40.33 2k0b s ASP 24 CO 0.00 0.01 1.41 -0.08 0.70 0.00 0.00 175.17 177.21 2k0b h GLU 25 N 7.70 0.20 0.00 2.11 4.81 -1.89 -3.36 114.58 124.16 2k0b h GLU 25 Ca -0.38 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2k0b h GLU 25 Cb 1.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2k0b h GLU 25 CO 0.57 0.53 -0.22 0.41 -0.73 0.00 0.00 179.01 179.56 2k0b n GLY 26 N -0.08 2.88 1.52 1.92 0.00 -1.26 -4.97 105.19 105.20 2k0b n GLY 26 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.78 0.75 0.00 -0.02 0.00 -1.26 -4.92 105.19 98.96 2k0b n GLY 27 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.29 0.00 0.20 1.61 4.27 -1.26 -3.98 117.44 115.99 2k0b n TRP 28 Ca 0.00 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.79 2k0b n TRP 28 Cb 0.00 -0.46 0.80 0.00 -1.36 0.00 0.00 31.31 30.29 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 0.76 115.31 125.68 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 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2k0b h LEU 29 CO 0.00 0.00 -0.14 0.71 -0.34 0.00 0.00 178.44 178.67 2k0b h THR 30 N 0.00 0.00 -0.52 1.05 1.35 -1.99 -3.37 112.91 109.44 2k0b h THR 30 Ca 0.10 -0.62 0.05 0.00 -0.55 0.00 0.00 66.41 65.39 2k0b h THR 30 Cb 0.81 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.19 2k0b h THR 30 CO -0.00 0.00 0.26 0.08 -0.25 0.00 0.00 175.52 175.61 2k0b h ARG 31 N -0.62 0.49 0.19 4.72 0.11 -1.58 -1.10 114.38 116.59 2k0b h ARG 31 Ca 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2k0b h ARG 31 Cb 0.14 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 2k0b h ARG 31 CO 0.00 0.32 -0.29 1.25 0.10 0.00 0.00 179.97 181.35 2k0b h LEU 32 N 0.50 -0.84 -0.41 0.08 7.12 0.27 -2.02 115.31 120.02 2k0b h LEU 32 Ca 0.23 0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.26 2k0b h LEU 32 Cb 0.14 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2k0b h LEU 32 CO -0.16 -0.35 0.03 -0.07 -0.13 0.00 0.00 178.44 177.76 2k0b h LEU 33 N -0.51 0.68 -1.12 2.25 4.07 -1.71 -2.60 115.31 116.37 2k0b h LEU 33 Ca -0.02 -0.29 0.12 0.00 0.08 0.00 0.00 57.88 57.77 2k0b h LEU 33 Cb 0.47 -0.18 -0.08 0.00 1.08 0.00 0.00 40.66 41.95 2k0b h LEU 33 CO -0.09 0.80 0.61 1.56 -1.08 0.00 0.00 178.44 180.23 2k0b h GLN 34 N 0.54 0.88 0.00 1.13 7.50 -1.17 0.86 115.11 124.85 2k0b h GLN 34 Ca 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.22 2k0b h GLN 34 Cb 0.43 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.76 2k0b h GLN 34 CO 0.02 0.58 -0.31 2.41 -1.50 0.00 0.00 178.83 180.02 2k0b n THR 35 N -4.58 0.22 -1.69 -0.54 -1.04 -0.76 -3.73 114.28 102.14 2k0b n THR 35 Ca 0.18 -0.13 -0.23 0.00 -2.04 0.00 0.00 64.05 61.82 2k0b n THR 35 Cb 0.37 -0.21 0.08 0.00 -1.82 0.00 0.00 70.33 68.74 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 -1.82 2.97 -4.38 -2.82 5.02 -0.06 -4.93 118.16 112.14 2k0b n LYS 36 Ca 0.05 -3.70 -0.39 0.00 -2.02 0.00 0.00 58.31 52.25 2k0b n LYS 36 Cb 0.38 -2.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.15 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 -0.86 -2.41 -2.78 4.39 6.94 -0.99 -2.34 115.26 117.20 2k0b n ASN 37 Ca 0.48 -1.13 -0.03 0.00 -0.02 0.00 0.00 54.58 53.88 2k0b n ASN 37 Cb 0.90 -2.18 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 -4.24 -2.30 -3.74 -2.53 4.01 0.28 -5.01 117.16 103.63 2k0b n TYR 38 Ca 0.08 0.86 -0.37 0.00 -0.16 0.00 0.00 57.90 58.31 2k0b n TYR 38 Cb 0.48 -3.64 -0.12 0.00 -0.31 0.00 0.00 39.34 35.75 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 -2.91 5.20 0.00 7.72 2.15 -0.99 -4.91 116.67 122.94 2k0b s ASP 39 Ca 0.08 -0.19 0.25 0.00 0.43 0.00 0.00 52.55 53.11 2k0b s ASP 39 Cb -0.01 -1.94 0.44 0.00 -0.30 0.00 0.00 42.92 41.11 2k0b s ASP 39 CO 0.60 -0.03 1.37 2.30 -0.17 0.00 0.00 175.17 179.23 2k0b n ILE 40 N 4.92 0.00 0.02 4.11 -0.00 -1.26 -2.35 119.36 124.80 2k0b n ILE 40 Ca -0.16 -0.01 -0.04 0.00 -0.00 0.00 0.00 62.75 62.53 2k0b n ILE 40 Cb 0.51 0.36 0.17 0.00 -0.00 0.00 0.00 39.64 40.69 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 4.99 0.51 0.07 3.28 0.00 -1.91 -1.75 103.07 108.27 2k0b h GLY 41 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k0b h GLY 41 CO 0.00 0.41 -1.43 0.00 0.00 0.00 0.00 176.54 175.52 2k0b n ALA 42 N -2.49 3.76 0.08 3.60 0.00 -1.25 -4.22 120.51 120.00 2k0b n ALA 42 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 2k0b n ALA 42 Cb 0.45 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 2.51 0.49 0.00 0.00 0.00 -1.22 -2.95 119.26 118.09 2k0b h ALA 43 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 2k0b h ALA 43 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k0b h ALA 43 CO 0.00 0.88 -0.23 -0.07 0.00 0.00 0.00 179.25 179.83 2k0b h LEU 44 N 0.14 0.00 -1.19 0.00 4.07 -1.51 -2.28 115.31 114.55 2k0b h LEU 44 Ca -0.05 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 2k0b h LEU 44 Cb 1.51 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.23 2k0b h LEU 44 CO 0.14 0.23 -0.39 -0.78 -1.08 0.00 0.00 178.44 176.56 2k0b h ASP 45 N 0.00 0.00 0.24 -0.43 3.58 -1.66 -1.49 116.42 116.65 2k0b h ASP 45 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k0b h ASP 45 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2k0b h ASP 45 CO 0.03 0.39 -1.26 0.35 -2.88 0.00 0.00 179.24 175.87 2k0b n THR 46 N -3.94 0.10 -0.07 2.25 -2.24 -0.88 -4.41 114.28 105.09 2k0b n THR 46 Ca -0.02 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.44 2k0b n THR 46 Cb 0.44 0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.94 1.28 0.22 2.28 -6.64 -1.07 -4.62 119.36 108.86 2k0b n ILE 47 Ca 0.01 -0.80 0.00 0.00 -1.77 0.00 0.00 62.75 60.18 2k0b n ILE 47 Cb 0.45 -0.52 0.00 0.00 -1.44 0.00 0.00 39.64 38.12 2k0b n ILE 47 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k0b n GLN 48 N -2.76 0.00 -0.99 6.28 3.00 -1.21 -4.86 117.38 116.85 2k0b n GLN 48 Ca -0.26 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.45 2k0b n GLN 48 Cb 1.07 0.00 0.23 0.00 0.00 0.00 0.00 30.24 31.54 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 -3.41 -3.84 -2.11 1.08 4.01 -0.57 -4.98 117.16 107.35 2k0b n TYR 49 Ca 0.00 -0.93 -0.02 0.00 -0.16 0.00 0.00 57.90 56.79 2k0b n TYR 49 Cb 0.00 -1.06 -0.03 0.00 -0.31 0.00 0.00 39.34 37.94 2k0b n TYR 49 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2k0b n SER 50 N -4.73 -0.21 -3.93 7.72 7.64 -1.26 -4.05 113.62 114.78 2k0b n SER 50 Ca 0.14 -1.76 -0.22 0.00 1.01 0.00 0.00 58.87 58.04 2k0b n SER 50 Cb 0.55 0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.63 2k0b n SER 50 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k0b s LYS 51 N 0.00 1.13 0.00 1.43 3.01 -1.26 -4.99 119.74 119.06 2k0b s LYS 51 Ca 0.07 -0.21 0.32 0.00 -1.01 0.00 0.00 55.97 55.14 2k0b s LYS 51 Cb 0.08 -1.04 1.89 0.00 -1.01 0.00 0.00 37.83 37.75 2k0b s LYS 51 CO -0.04 -0.05 2.21 0.72 0.51 0.00 0.00 175.35 178.70