#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb0 h VAL 2 N 0.00 0.00 -0.01 1.61 2.07 -1.91 -3.42 116.25 114.58 1sb0 h VAL 2 Ca 0.00 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1sb0 h VAL 2 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1sb0 h VAL 2 CO 0.00 0.00 -0.15 0.03 0.02 0.00 0.00 177.57 177.47 1sb0 h ARG 3 N -0.87 0.12 -4.41 1.57 3.08 -2.00 -3.47 114.38 108.40 1sb0 h ARG 3 Ca 0.00 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.74 1sb0 h ARG 3 Cb 0.23 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 30.14 1sb0 h ARG 3 CO 0.00 0.83 -0.70 0.15 -1.07 0.00 0.00 179.97 179.18 1sb0 s LYS 4 N -3.29 0.63 0.31 0.04 -0.14 -1.26 -5.02 119.74 111.01 1sb0 s LYS 4 Ca -0.16 -1.08 0.07 0.00 -1.36 0.00 0.00 55.97 53.44 1sb0 s LYS 4 Cb 0.01 -0.05 0.78 0.00 -1.68 0.00 0.00 37.83 36.89 1sb0 s LYS 4 CO 0.72 -0.04 1.78 0.78 -0.76 0.00 0.00 175.35 177.83 1sb0 h GLY 5 N 3.56 1.74 2.00 -3.33 0.00 -1.89 0.14 103.07 105.29 1sb0 h GLY 5 Ca -0.34 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1sb0 h GLY 5 CO 0.57 -0.08 0.00 -2.67 0.00 0.00 0.00 176.54 174.36 1sb0 n TRP 6 N -4.76 0.00 -0.30 5.60 4.27 -1.26 -1.05 117.44 119.94 1sb0 n TRP 6 Ca 0.24 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.96 1sb0 n TRP 6 Cb 0.61 -0.50 0.28 0.00 -1.36 0.00 0.00 31.31 30.34 1sb0 n TRP 6 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1sb0 h HIS 7 N 0.00 0.68 -1.19 -2.67 2.76 -1.30 0.09 115.15 113.53 1sb0 h HIS 7 Ca 0.00 0.04 0.35 0.00 -2.20 0.00 0.00 60.37 58.56 1sb0 h HIS 7 Cb 0.50 -0.17 -0.11 0.00 1.55 0.00 0.00 27.41 29.18 1sb0 h HIS 7 CO 0.00 0.03 0.77 1.49 -1.30 0.00 0.00 177.93 178.92 1sb0 h GLU 8 N 0.47 0.21 0.39 5.26 4.81 -1.77 -2.58 114.58 121.37 1sb0 h GLU 8 Ca 0.53 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.73 1sb0 h GLU 8 Cb 0.93 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1sb0 h GLU 8 CO -0.47 0.14 -0.19 0.45 -0.73 0.00 0.00 179.01 178.21 1sb0 h HIS 9 N 0.22 -0.49 -1.85 0.92 3.86 -1.29 -3.40 115.15 113.11 1sb0 h HIS 9 Ca 0.70 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 59.22 1sb0 h HIS 9 Cb 2.08 0.16 -0.15 0.00 1.06 0.00 0.00 27.41 30.56 1sb0 h HIS 9 CO -0.00 -0.30 1.31 0.08 0.86 0.00 0.00 177.93 179.87 1sb0 s VAL 10 N -3.33 4.56 0.80 2.45 1.01 -0.97 -4.99 120.40 119.93 1sb0 s VAL 10 Ca -0.08 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.05 1sb0 s VAL 10 Cb 0.01 -4.93 0.07 0.00 0.00 0.00 0.00 36.38 31.53 1sb0 s VAL 10 CO 0.23 -1.70 1.09 0.42 0.00 0.00 0.00 175.10 175.14 1sb0 s THR 11 N 3.08 3.18 0.30 3.92 -4.23 -1.26 -4.73 115.64 115.89 1sb0 s THR 11 Ca 0.41 0.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1sb0 s THR 11 Cb -0.02 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 71.17 1sb0 s THR 11 CO -0.04 -0.50 1.71 1.56 -0.54 0.00 0.00 174.62 176.80 1sb0 h GLN 12 N -1.20 0.44 -0.48 3.99 1.08 -1.94 0.27 115.11 117.27 1sb0 h GLN 12 Ca -0.46 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1sb0 h GLN 12 Cb 1.25 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1sb0 h GLN 12 CO 0.54 0.29 0.29 0.22 -0.95 0.00 0.00 178.83 179.22 1sb0 h ASP 13 N 0.45 0.58 -0.28 1.46 3.58 -1.99 0.22 116.42 120.44 1sb0 h ASP 13 Ca 0.58 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.92 1sb0 h ASP 13 Cb 1.08 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1sb0 h ASP 13 CO -0.51 0.47 0.02 0.25 -2.88 0.00 0.00 179.24 176.59 1sb0 h LEU 14 N 0.64 0.46 -0.62 2.28 5.85 -1.43 -0.55 115.31 121.94 1sb0 h LEU 14 Ca 0.17 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1sb0 h LEU 14 Cb 0.00 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 1sb0 h LEU 14 CO -0.03 0.64 0.09 0.03 -0.34 0.00 0.00 178.44 178.82 1sb0 h ARG 15 N 0.28 0.20 -0.10 1.25 3.08 -0.71 0.15 114.38 118.54 1sb0 h ARG 15 Ca 0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1sb0 h ARG 15 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1sb0 h ARG 15 CO 0.01 0.13 -0.03 0.77 -1.07 0.00 0.00 179.97 179.79 1sb0 h SER 16 N 0.21 -0.10 -0.61 7.04 0.02 -0.19 0.12 113.55 120.04 1sb0 h SER 16 Ca 0.33 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1sb0 h SER 16 Cb 0.52 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1sb0 h SER 16 CO -0.46 -0.04 0.22 -0.74 -1.14 0.00 0.00 176.83 174.67 1sb0 h HIS 17 N -0.01 0.99 -0.13 3.45 -0.00 -0.31 0.11 115.15 119.25 1sb0 h HIS 17 Ca 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1sb0 h HIS 17 Cb 0.08 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1sb0 h HIS 17 CO -0.15 0.78 0.04 -0.07 -0.00 0.00 0.00 177.93 178.53 1sb0 h LEU 18 N 0.94 0.20 -0.51 0.26 3.38 -0.29 0.94 115.31 120.23 1sb0 h LEU 18 Ca 0.21 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1sb0 h LEU 18 Cb 0.24 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 1sb0 h LEU 18 CO -0.01 0.36 -0.01 0.58 0.09 0.00 0.00 178.44 179.45 1sb0 h VAL 19 N 0.02 0.58 -0.54 1.22 2.07 -0.54 0.79 116.25 119.85 1sb0 h VAL 19 Ca 0.04 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1sb0 h VAL 19 Cb 0.24 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 1sb0 h VAL 19 CO -0.00 0.02 0.13 -0.74 0.02 0.00 0.00 177.57 177.00 1sb0 h HIS 20 N 0.11 0.22 -0.45 1.57 -0.00 -0.35 0.52 115.15 116.75 1sb0 h HIS 20 Ca 0.26 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.70 1sb0 h HIS 20 Cb 0.40 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.75 1sb0 h HIS 20 CO -0.33 0.01 0.21 0.87 -0.00 0.00 0.00 177.93 178.70 1sb0 h LYS 21 N 0.28 0.42 -0.17 5.26 1.79 0.40 0.11 116.57 124.65 1sb0 h LYS 21 Ca 0.27 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.77 1sb0 h LYS 21 Cb 0.37 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.87 1sb0 h LYS 21 CO -0.33 0.27 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.06 1sb0 h LEU 22 N 0.43 -0.58 -0.28 2.94 3.38 0.23 0.15 115.31 121.58 1sb0 h LEU 22 Ca 0.20 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1sb0 h LEU 22 Cb 0.13 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1sb0 h LEU 22 CO -0.15 -0.23 -0.17 0.58 0.09 0.00 0.00 178.44 178.56 1sb0 h VAL 23 N -0.22 0.52 -0.25 1.22 2.07 -0.40 -1.61 116.25 117.59 1sb0 h VAL 23 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1sb0 h VAL 23 Cb 0.38 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1sb0 h VAL 23 CO -0.29 0.00 0.10 1.56 0.02 0.00 0.00 177.57 178.96 1sb0 h GLN 24 N -0.14 0.22 -0.75 1.57 1.08 0.03 0.42 115.11 117.55 1sb0 h GLN 24 Ca 0.15 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1sb0 h GLN 24 Cb 0.36 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 1sb0 h GLN 24 CO -0.36 0.15 0.49 0.00 -0.95 0.00 0.00 178.83 178.16 1sb0 h ALA 25 N 1.15 1.53 0.21 3.87 0.00 -0.35 -2.55 119.26 123.12 1sb0 h ALA 25 Ca 0.11 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 1sb0 h ALA 25 Cb 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.61 1sb0 h ALA 25 CO -0.10 0.40 -1.35 0.82 0.00 0.00 0.00 179.25 179.02 1sb0 h ILE 26 N 0.94 1.27 -1.38 0.00 2.04 -0.89 -3.45 117.51 116.04 1sb0 h ILE 26 Ca 0.29 -2.60 -0.09 0.00 1.00 0.00 0.00 64.86 63.46 1sb0 h ILE 26 Cb 0.00 3.02 -0.25 0.00 -0.74 0.00 0.00 36.82 38.85 1sb0 h ILE 26 CO -0.08 0.78 -0.46 0.12 0.00 0.00 0.00 178.15 178.51 1sb0 s PHE 27 N -2.54 -1.40 -0.06 1.37 2.19 0.15 -4.96 117.98 112.72 1sb0 s PHE 27 Ca -0.12 0.68 -0.29 0.00 0.33 0.00 0.00 56.93 57.52 1sb0 s PHE 27 Cb 0.03 0.06 -0.08 0.00 -1.31 0.00 0.00 43.02 41.73 1sb0 s PHE 27 CO 0.89 -1.03 2.07 -0.35 1.83 0.00 0.00 175.22 178.63 1sb0 n PRO 28 N 5.38 2.53 -2.40 10.12 -0.04 -1.02 -3.80 135.00 145.78 1sb0 n PRO 28 Ca 0.03 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.92 1sb0 n PRO 28 Cb 0.51 -3.09 -0.03 0.00 -0.04 0.00 0.00 33.50 30.85 1sb0 n PRO 28 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1sb0 s THR 29 N 5.91 4.08 0.15 0.52 2.01 -1.26 -4.95 115.64 122.11 1sb0 s THR 29 Ca 0.94 1.45 -0.22 0.00 0.31 0.00 0.00 61.69 64.17 1sb0 s THR 29 Cb -0.40 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.22 1sb0 s THR 29 CO 0.40 0.03 1.63 -0.65 -0.69 0.00 0.00 174.62 175.34 1sb0 h PRO 30 N 7.34 -0.20 -1.91 4.92 0.11 -1.98 -3.46 132.00 136.82 1sb0 h PRO 30 Ca -0.37 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1sb0 h PRO 30 Cb 1.18 0.05 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 1sb0 h PRO 30 CO 0.86 -0.14 0.24 0.34 -0.21 0.00 0.00 178.00 179.10 1sb0 s ASP 31 N -5.06 -0.63 0.28 -2.05 -1.08 -1.26 -5.04 116.67 101.83 1sb0 s ASP 31 Ca -0.15 0.91 -0.02 0.00 -0.52 0.00 0.00 52.55 52.77 1sb0 s ASP 31 Cb 0.13 0.82 0.60 0.00 -1.46 0.00 0.00 42.92 43.00 1sb0 s ASP 31 CO 0.68 -0.43 1.61 -0.65 0.52 0.00 0.00 175.17 176.90 1sb0 h PRO 32 N 3.65 0.07 -0.77 4.34 0.11 -2.03 0.11 132.00 137.48 1sb0 h PRO 32 Ca -0.27 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.97 1sb0 h PRO 32 Cb 1.15 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1sb0 h PRO 32 CO 0.25 0.05 0.51 0.00 -0.21 0.00 0.00 178.00 178.60 1sb0 h ALA 33 N 1.85 1.99 -0.01 -0.75 0.00 -2.01 -0.55 119.26 119.78 1sb0 h ALA 33 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1sb0 h ALA 33 Cb 0.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sb0 h ALA 33 CO -0.79 -0.19 0.02 0.00 0.00 0.00 0.00 179.25 178.29 1sb0 h ALA 34 N 1.64 1.23 -0.30 0.00 0.00 -1.17 -1.14 119.26 119.50 1sb0 h ALA 34 Ca 0.37 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.37 1sb0 h ALA 34 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1sb0 h ALA 34 CO -0.13 -0.02 0.34 -0.07 0.00 0.00 0.00 179.25 179.36 1sb0 h LEU 35 N 0.00 0.00 -1.48 0.00 3.38 -1.17 -0.04 115.31 115.99 1sb0 h LEU 35 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1sb0 h LEU 35 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sb0 h LEU 35 CO -0.00 0.00 -0.08 0.11 0.09 0.00 0.00 178.44 178.56 1sb0 h LYS 36 N 0.00 0.00 -6.48 1.13 1.57 -1.40 -3.30 116.57 108.08 1sb0 h LYS 36 Ca 0.14 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.39 1sb0 h LYS 36 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.14 1sb0 h LYS 36 CO -0.00 0.08 0.86 0.34 -0.57 0.00 0.00 179.45 180.16 1sb0 s ASP 37 N -5.85 6.72 0.28 0.86 -1.08 -0.03 -4.77 116.67 112.80 1sb0 s ASP 37 Ca 0.00 2.37 -0.01 0.00 -0.52 0.00 0.00 52.55 54.40 1sb0 s ASP 37 Cb 0.10 -2.57 0.65 0.00 -1.46 0.00 0.00 42.92 39.63 1sb0 s ASP 37 CO 0.57 -0.77 1.61 -0.09 0.52 0.00 0.00 175.17 177.01 1sb0 h ARG 38 N 7.53 0.10 -0.85 4.34 2.43 -1.88 0.34 114.38 126.38 1sb0 h ARG 38 Ca -0.41 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1sb0 h ARG 38 Cb 1.20 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 1sb0 h ARG 38 CO 0.90 0.06 0.56 -0.09 -1.51 0.00 0.00 179.97 179.89 1sb0 h ARG 39 N 0.10 0.96 0.02 0.20 9.65 -1.95 -0.46 114.38 122.89 1sb0 h ARG 39 Ca 0.53 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 59.27 1sb0 h ARG 39 Cb 1.05 -0.22 0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1sb0 h ARG 39 CO -0.76 0.63 -0.32 1.98 2.80 0.00 0.00 179.97 184.31 1sb0 h MET 40 N 0.99 0.19 -0.78 0.20 4.05 -0.77 -3.22 114.93 115.58 1sb0 h MET 40 Ca 0.36 -0.22 0.18 0.00 -0.28 0.00 0.00 59.70 59.73 1sb0 h MET 40 Cb 0.15 0.07 -0.12 0.00 -0.80 0.00 0.00 31.60 30.91 1sb0 h MET 40 CO -0.12 0.98 0.22 0.93 0.23 0.00 0.00 176.91 179.16 1sb0 h GLU 41 N -0.51 0.29 -0.64 0.39 5.08 -0.19 0.31 114.58 119.30 1sb0 h GLU 41 Ca -0.04 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1sb0 h GLU 41 Cb 1.11 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 1sb0 h GLU 41 CO 0.06 0.19 0.36 -0.91 -1.00 0.00 0.00 179.01 177.71 1sb0 h ASN 42 N 0.30 0.56 -0.40 1.42 2.35 -1.21 0.10 115.58 118.70 1sb0 h ASN 42 Ca 0.45 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 56.11 1sb0 h ASN 42 Cb 0.80 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1sb0 h ASN 42 CO -0.53 0.37 -0.20 0.25 -1.65 0.00 0.00 177.43 175.67 1sb0 h LEU 43 N 0.69 0.87 -0.19 1.61 5.85 -0.57 0.09 115.31 123.66 1sb0 h LEU 43 Ca 0.27 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1sb0 h LEU 43 Cb 0.12 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1sb0 h LEU 43 CO -0.15 1.09 -0.07 0.58 -0.34 0.00 0.00 178.44 179.54 1sb0 h VAL 44 N 0.66 0.75 -0.10 1.05 2.07 -0.34 0.12 116.25 120.46 1sb0 h VAL 44 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 44 Cb 0.76 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1sb0 h VAL 44 CO 0.06 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.56 1sb0 h ALA 45 N 1.14 -0.01 -0.35 1.67 0.00 -0.54 0.10 119.26 121.27 1sb0 h ALA 45 Ca 0.10 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1sb0 h ALA 45 Cb 0.19 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1sb0 h ALA 45 CO -0.22 -0.55 -0.14 -0.92 0.00 0.00 0.00 179.25 177.42 1sb0 h TYR 46 N -0.11 -0.33 -0.35 0.00 3.20 -0.67 0.71 116.97 119.42 1sb0 h TYR 46 Ca 0.07 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1sb0 h TYR 46 Cb 0.21 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1sb0 h TYR 46 CO -0.20 -0.21 0.22 0.00 -1.64 0.00 0.00 178.16 176.32 1sb0 h ALA 47 N 1.23 0.45 -0.07 1.82 0.00 -0.14 0.11 119.26 122.67 1sb0 h ALA 47 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sb0 h ALA 47 Cb 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1sb0 h ALA 47 CO -0.40 -0.06 -0.16 0.87 0.00 0.00 0.00 179.25 179.49 1sb0 h LYS 48 N 0.47 -0.22 0.04 0.00 1.57 -0.50 0.40 116.57 118.32 1sb0 h LYS 48 Ca 0.13 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1sb0 h LYS 48 Cb -0.01 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1sb0 h LYS 48 CO -0.03 -0.15 -0.29 0.87 -0.57 0.00 0.00 179.45 179.29 1sb0 h LYS 49 N -0.23 -0.44 -0.43 3.15 1.57 -0.37 0.13 116.57 119.95 1sb0 h LYS 49 Ca 0.07 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1sb0 h LYS 49 Cb 0.33 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1sb0 h LYS 49 CO -0.20 -0.30 0.16 -0.24 -0.57 0.00 0.00 179.45 178.30 1sb0 h VAL 50 N -0.46 1.20 -0.54 0.50 3.04 -0.62 0.85 116.25 120.22 1sb0 h VAL 50 Ca 0.05 -0.64 0.05 0.00 -1.01 0.00 0.00 66.70 65.15 1sb0 h VAL 50 Cb 0.52 0.83 -0.05 0.00 -2.01 0.00 0.00 31.29 30.58 1sb0 h VAL 50 CO -0.22 0.23 0.27 -0.08 -1.01 0.00 0.00 177.57 176.77 1sb0 h GLU 51 N 0.54 0.51 -0.09 4.17 4.22 -0.74 0.18 114.58 123.37 1sb0 h GLU 51 Ca 0.14 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.59 1sb0 h GLU 51 Cb 0.21 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1sb0 h GLU 51 CO -0.01 0.34 -0.21 0.78 -2.18 0.00 0.00 179.01 177.73 1sb0 h GLY 52 N 0.52 -0.22 0.10 1.92 0.00 -0.19 0.75 103.07 105.95 1sb0 h GLY 52 Ca 0.24 0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.91 1sb0 h GLY 52 CO -0.17 -0.18 -0.13 -1.80 0.00 0.00 0.00 176.54 174.25 1sb0 h ASP 53 N -0.29 -0.47 -0.41 0.19 3.58 -0.21 -0.15 116.42 118.66 1sb0 h ASP 53 Ca 0.09 0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.71 1sb0 h ASP 53 Cb 0.41 0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.72 1sb0 h ASP 53 CO -0.26 -0.17 0.18 0.24 -2.88 0.00 0.00 179.24 176.36 1sb0 h MET 54 N -0.03 0.36 -0.37 0.28 2.86 -0.55 0.15 114.93 117.63 1sb0 h MET 54 Ca 0.21 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1sb0 h MET 54 Cb 0.35 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 1sb0 h MET 54 CO -0.46 0.24 0.03 -0.92 1.06 0.00 0.00 176.91 176.86 1sb0 h TYR 55 N 0.37 0.03 0.00 -0.22 5.03 0.40 0.17 116.97 122.76 1sb0 h TYR 55 Ca 0.18 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.42 1sb0 h TYR 55 Cb 0.11 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 1sb0 h TYR 55 CO -0.12 -0.04 -0.47 0.93 -1.32 0.00 0.00 178.16 177.14 1sb0 h GLU 56 N 0.14 0.00 -0.10 1.82 4.39 -0.74 -3.18 114.58 116.91 1sb0 h GLU 56 Ca 0.18 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1sb0 h GLU 56 Cb 0.24 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1sb0 h GLU 56 CO -0.28 0.47 -0.63 0.77 -1.16 0.00 0.00 179.01 178.18 1sb0 h SER 57 N 0.00 0.73 -2.80 1.42 0.02 0.06 -3.46 113.55 109.52 1sb0 h SER 57 Ca -0.00 -0.66 -0.56 0.00 -0.84 0.00 0.00 61.79 59.73 1sb0 h SER 57 Cb 1.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1sb0 h SER 57 CO 0.06 1.27 1.09 0.00 -1.14 0.00 0.00 176.83 178.11 1sb0 s ALA 58 N -3.63 3.35 0.39 3.77 0.00 0.52 -4.90 121.76 121.26 1sb0 s ALA 58 Ca -0.12 0.48 0.36 0.00 0.00 0.00 0.00 51.96 52.68 1sb0 s ALA 58 Cb 0.06 -3.81 1.75 0.00 0.00 0.00 0.00 23.12 21.13 1sb0 s ALA 58 CO 0.86 -1.80 2.14 -2.95 0.00 0.00 0.00 175.76 174.00 1sb0 h ASN 59 N 10.23 0.00 -5.00 0.00 -1.07 -1.88 -3.45 115.58 114.41 1sb0 h ASN 59 Ca -0.33 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.95 1sb0 h ASN 59 Cb 1.15 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 37.20 1sb0 h ASN 59 CO 1.00 0.04 -0.05 -0.44 0.07 0.00 0.00 177.43 178.04 1sb0 s SER 60 N -5.65 -0.42 0.26 6.14 0.01 -1.26 -4.83 113.70 107.95 1sb0 s SER 60 Ca -0.02 0.39 -0.04 0.00 1.31 0.00 0.00 55.95 57.58 1sb0 s SER 60 Cb 0.12 0.42 0.51 0.00 0.21 0.00 0.00 66.02 67.28 1sb0 s SER 60 CO 0.51 -0.53 1.66 -0.09 0.41 0.00 0.00 173.24 175.20 1sb0 h ARG 61 N 3.44 0.18 -0.53 12.44 2.43 -1.90 0.14 114.38 130.58 1sb0 h ARG 61 Ca -0.28 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1sb0 h ARG 61 Cb 1.16 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.59 1sb0 h ARG 61 CO 0.40 0.12 0.08 -0.44 -1.51 0.00 0.00 179.97 178.61 1sb0 h ASP 62 N 0.19 -0.07 -0.12 -3.80 5.19 -1.99 0.75 116.42 116.57 1sb0 h ASP 62 Ca 0.45 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.95 1sb0 h ASP 62 Cb 0.82 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 1sb0 h ASP 62 CO -0.61 -0.01 0.03 -0.08 -3.12 0.00 0.00 179.24 175.45 1sb0 h GLU 63 N 0.20 0.19 -0.55 3.56 4.57 -1.22 -0.17 114.58 121.16 1sb0 h GLU 63 Ca 0.27 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.52 1sb0 h GLU 63 Cb 0.40 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.87 1sb0 h GLU 63 CO -0.38 0.34 -0.03 -0.92 -1.18 0.00 0.00 179.01 176.84 1sb0 h TYR 64 N -0.00 -0.09 0.27 0.92 3.20 -0.21 0.21 116.97 121.27 1sb0 h TYR 64 Ca 0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1sb0 h TYR 64 Cb 0.24 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1sb0 h TYR 64 CO 0.00 -0.16 -0.13 1.88 -1.64 0.00 0.00 178.16 178.11 1sb0 h TYR 65 N 0.09 -0.33 0.12 -3.82 0.05 -0.75 -2.52 116.97 109.80 1sb0 h TYR 65 Ca 0.28 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1sb0 h TYR 65 Cb 0.44 0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1sb0 h TYR 65 CO -0.36 -0.20 -0.34 1.25 -1.05 0.00 0.00 178.16 177.47 1sb0 h HIS 66 N -0.38 -0.97 0.00 4.88 2.76 0.48 0.12 115.15 122.04 1sb0 h HIS 66 Ca -0.04 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1sb0 h HIS 66 Cb 0.29 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1sb0 h HIS 66 CO -0.05 -0.39 -0.18 1.37 -1.30 0.00 0.00 177.93 177.38 1sb0 h LEU 67 N -0.51 0.00 0.29 0.26 8.10 -0.76 0.14 115.31 122.83 1sb0 h LEU 67 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1sb0 h LEU 67 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1sb0 h LEU 67 CO -0.16 0.18 -0.14 -0.07 -4.11 0.00 0.00 178.44 174.14 1sb0 h LEU 68 N 0.00 -0.32 -0.53 0.17 3.38 -1.18 0.12 115.31 116.95 1sb0 h LEU 68 Ca -0.00 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1sb0 h LEU 68 Cb 0.34 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1sb0 h LEU 68 CO 0.02 0.01 0.18 0.00 0.09 0.00 0.00 178.44 178.74 1sb0 h ALA 69 N -0.08 0.66 -0.48 1.53 0.00 -0.46 -0.29 119.26 120.12 1sb0 h ALA 69 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sb0 h ALA 69 Cb 0.47 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1sb0 h ALA 69 CO 0.06 -0.22 0.30 1.49 0.00 0.00 0.00 179.25 180.89 1sb0 h GLU 70 N 0.36 0.59 -0.12 0.00 4.57 -0.72 0.95 114.58 120.21 1sb0 h GLU 70 Ca 0.26 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1sb0 h GLU 70 Cb 0.30 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 1sb0 h GLU 70 CO -0.27 0.39 -0.11 -0.22 -1.18 0.00 0.00 179.01 177.62 1sb0 h LYS 71 N 0.60 -0.12 -0.17 1.92 1.63 0.19 0.14 116.57 120.76 1sb0 h LYS 71 Ca 0.19 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 1sb0 h LYS 71 Cb -0.02 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 1sb0 h LYS 71 CO -0.07 -0.08 -0.23 0.82 -3.45 0.00 0.00 179.45 176.44 1sb0 h ILE 72 N -0.13 0.43 -0.22 2.00 2.04 -0.73 -0.11 117.51 120.79 1sb0 h ILE 72 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1sb0 h ILE 72 Cb 0.24 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1sb0 h ILE 72 CO -0.20 0.00 -0.24 0.22 0.00 0.00 0.00 178.15 177.93 1sb0 h TYR 73 N -0.27 -0.65 0.06 1.37 5.03 -0.19 0.67 116.97 122.98 1sb0 h TYR 73 Ca 0.11 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.48 1sb0 h TYR 73 Cb 0.45 0.32 -0.03 0.00 1.55 0.00 0.00 36.73 39.02 1sb0 h TYR 73 CO -0.35 -0.32 -0.16 0.87 -1.32 0.00 0.00 178.16 176.87 1sb0 h LYS 74 N -0.26 -0.28 -0.35 1.82 1.57 -0.49 0.82 116.57 119.40 1sb0 h LYS 74 Ca 0.13 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1sb0 h LYS 74 Cb 0.46 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1sb0 h LYS 74 CO -0.37 -0.19 -0.26 0.82 -0.57 0.00 0.00 179.45 178.88 1sb0 h ILE 75 N -0.29 0.33 -0.06 1.86 2.04 -0.35 0.13 117.51 121.17 1sb0 h ILE 75 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1sb0 h ILE 75 Cb 0.33 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1sb0 h ILE 75 CO -0.11 0.00 0.03 1.56 0.00 0.00 0.00 178.15 179.63 1sb0 h GLN 76 N -0.22 0.06 -0.38 2.37 1.08 -0.60 0.23 115.11 117.67 1sb0 h GLN 76 Ca 0.17 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1sb0 h GLN 76 Cb 0.48 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 1sb0 h GLN 76 CO -0.47 0.04 0.10 0.87 -0.95 0.00 0.00 178.83 178.42 1sb0 h LYS 77 N 0.07 0.22 0.22 1.46 1.79 -0.20 0.21 116.57 120.34 1sb0 h LYS 77 Ca 0.02 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1sb0 h LYS 77 Cb 0.00 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1sb0 h LYS 77 CO -0.01 0.15 -0.11 0.93 -1.08 0.00 0.00 179.45 179.33 1sb0 h GLU 78 N 0.23 -0.29 0.00 3.15 4.39 -0.65 -3.36 114.58 118.05 1sb0 h GLU 78 Ca 0.18 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1sb0 h GLU 78 Cb 0.19 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1sb0 h GLU 78 CO -0.21 0.07 -0.07 1.25 -1.16 0.00 0.00 179.01 178.88 1sb0 h LEU 79 N -0.92 0.00 0.52 1.33 5.85 -0.53 -3.48 115.31 118.08 1sb0 h LEU 79 Ca -0.03 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.31 1sb0 h LEU 79 Cb 0.49 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1sb0 h LEU 79 CO 0.05 0.02 -0.56 -0.62 -0.34 0.00 0.00 178.44 177.00 1sb0 n GLU 80 N -3.09 -3.38 -1.51 1.25 -0.58 0.73 -4.86 120.64 109.20 1sb0 n GLU 80 Ca 0.04 0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 56.85 1sb0 n GLU 80 Cb 0.54 -5.18 -0.02 0.00 -0.57 0.00 0.00 31.44 26.21 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sb0 n GLU 81 N -3.73 2.79 -2.38 3.49 -0.58 -1.26 -4.87 120.64 114.09 1sb0 n GLU 81 Ca -0.02 -2.35 -0.37 0.00 -0.42 0.00 0.00 57.16 54.01 1sb0 n GLU 81 Cb 0.54 -3.09 -0.03 0.00 -0.57 0.00 0.00 31.44 28.29 1sb0 n GLU 81 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1sb0 s LYS 82 N 3.27 3.34 0.00 3.49 1.02 -1.26 -4.71 119.74 124.88 1sb0 s LYS 82 Ca 0.53 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1sb0 s LYS 82 Cb 0.15 -5.36 0.00 0.00 -0.52 0.00 0.00 37.83 32.10 1sb0 s LYS 82 CO -0.05 -2.80 0.00 0.54 -0.92 0.00 0.00 175.35 172.12 1sb0 n ARG 83 N 8.57 3.16 -0.10 1.68 5.12 -1.26 -4.84 116.66 128.99 1sb0 n ARG 83 Ca 0.43 0.00 0.25 0.00 -1.93 0.00 0.00 57.85 56.60 1sb0 n ARG 83 Cb 0.48 0.00 0.71 0.00 -1.16 0.00 0.00 32.46 32.49 1sb0 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sb0 h ARG 84 N 0.00 0.00 -0.13 5.56 3.08 -1.92 -0.12 114.38 120.85 1sb0 h ARG 84 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1sb0 h ARG 84 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1sb0 h ARG 84 CO 0.00 0.00 0.73 0.66 -1.07 0.00 0.00 179.97 180.29 1sb0 h SER 85 N 0.00 0.00 -0.85 7.04 4.64 -1.84 0.63 113.55 123.17 1sb0 h SER 85 Ca 0.35 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.84 1sb0 h SER 85 Cb 1.43 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.41 1sb0 h SER 85 CO -0.00 0.00 0.39 -0.09 -0.87 0.00 0.00 176.83 176.26 1sb0 h ARG 86 N 0.00 0.48 0.00 4.77 1.12 -1.30 -3.50 114.38 115.96 1sb0 h ARG 86 Ca 0.06 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1sb0 h ARG 86 Cb 1.52 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.37 1sb0 h ARG 86 CO -0.00 0.32 0.00 1.28 -3.11 0.00 0.00 179.97 178.46