#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb0 n VAL 2 N 0.00 0.00 0.13 1.61 0.31 -1.26 -4.61 118.33 114.50 1sb0 n VAL 2 Ca 0.00 0.32 0.06 0.00 -0.01 0.00 0.00 64.34 64.71 1sb0 n VAL 2 Cb 0.00 -0.99 0.03 0.00 -0.91 0.00 0.00 33.84 31.97 1sb0 n VAL 2 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1sb0 h ARG 3 N 0.00 0.00 -3.57 5.55 0.11 -2.01 -3.46 114.38 111.00 1sb0 h ARG 3 Ca 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 1sb0 h ARG 3 Cb 0.00 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 30.89 1sb0 h ARG 3 CO 0.00 0.23 -0.46 0.15 0.10 0.00 0.00 179.97 179.98 1sb0 s LYS 4 N -3.10 0.57 0.28 0.08 -0.14 -1.26 -5.01 119.74 111.15 1sb0 s LYS 4 Ca 0.02 -0.53 0.02 0.00 -1.36 0.00 0.00 55.97 54.12 1sb0 s LYS 4 Cb 0.08 0.23 0.59 0.00 -1.68 0.00 0.00 37.83 37.05 1sb0 s LYS 4 CO 0.75 -0.15 1.80 0.78 -0.76 0.00 0.00 175.35 177.77 1sb0 h GLY 5 N 3.91 1.59 1.90 -3.33 0.00 -1.87 0.14 103.07 105.40 1sb0 h GLY 5 Ca -0.31 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1sb0 h GLY 5 CO 0.45 0.04 -0.04 -2.67 0.00 0.00 0.00 176.54 174.32 1sb0 n TRP 6 N -4.74 0.00 -0.36 5.60 4.27 -1.26 -1.20 117.44 119.76 1sb0 n TRP 6 Ca 0.19 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.86 1sb0 n TRP 6 Cb 0.43 -0.47 0.14 0.00 -1.36 0.00 0.00 31.31 30.05 1sb0 n TRP 6 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 1sb0 n HIS 7 N -1.48 0.36 0.28 -2.67 -0.00 -0.17 -0.90 115.22 110.63 1sb0 n HIS 7 Ca 0.07 1.21 0.18 0.00 0.46 0.00 0.00 57.72 59.64 1sb0 n HIS 7 Cb 0.33 -1.07 0.91 0.00 -0.12 0.00 0.00 29.99 30.04 1sb0 n HIS 7 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1sb0 h GLU 8 N 0.00 0.00 0.00 1.57 9.09 -1.81 -0.24 114.58 123.19 1sb0 h GLU 8 Ca 0.48 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.82 1sb0 h GLU 8 Cb 0.72 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.81 1sb0 h GLU 8 CO -1.02 0.00 -0.31 0.45 0.05 0.00 0.00 179.01 178.19 1sb0 h HIS 9 N 0.00 0.00 -3.19 2.06 3.86 -1.38 -3.41 115.15 113.08 1sb0 h HIS 9 Ca 0.04 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.67 1sb0 h HIS 9 Cb 0.51 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.58 1sb0 h HIS 9 CO 0.00 0.31 -0.76 0.08 0.86 0.00 0.00 177.93 178.42 1sb0 s VAL 10 N -4.16 0.92 0.60 2.45 1.01 -0.10 -5.07 120.40 116.05 1sb0 s VAL 10 Ca -0.03 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 1sb0 s VAL 10 Cb 0.14 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1sb0 s VAL 10 CO 0.69 -0.63 0.92 0.42 0.00 0.00 0.00 175.10 176.50 1sb0 s THR 11 N 1.60 3.57 0.31 3.92 -4.23 -1.26 -4.86 115.64 114.69 1sb0 s THR 11 Ca 0.09 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1sb0 s THR 11 Cb -0.17 -3.43 0.31 0.00 1.34 0.00 0.00 72.50 70.55 1sb0 s THR 11 CO -0.23 -0.45 1.67 1.56 -0.54 0.00 0.00 174.62 176.62 1sb0 h GLN 12 N -0.22 0.30 -0.33 3.99 7.50 -1.98 0.30 115.11 124.66 1sb0 h GLN 12 Ca -0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 58.67 1sb0 h GLN 12 Cb 1.26 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.71 1sb0 h GLN 12 CO 0.61 0.20 0.18 -0.44 -1.50 0.00 0.00 178.83 177.88 1sb0 h ASP 13 N 0.31 0.41 -0.49 1.46 5.19 -1.98 0.26 116.42 121.57 1sb0 h ASP 13 Ca 0.62 -0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.87 1sb0 h ASP 13 Cb 1.30 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 1sb0 h ASP 13 CO -0.61 0.37 0.00 0.25 -3.12 0.00 0.00 179.24 176.13 1sb0 h LEU 14 N 0.41 0.84 -0.58 1.55 5.85 -1.39 0.14 115.31 122.13 1sb0 h LEU 14 Ca 0.12 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.63 1sb0 h LEU 14 Cb 0.05 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 1sb0 h LEU 14 CO -0.02 0.94 0.17 0.03 -0.34 0.00 0.00 178.44 179.22 1sb0 h ARG 15 N 0.71 0.31 -0.11 1.25 3.08 -0.76 0.17 114.38 119.04 1sb0 h ARG 15 Ca 0.14 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1sb0 h ARG 15 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1sb0 h ARG 15 CO 0.02 0.21 0.05 0.77 -1.07 0.00 0.00 179.97 179.95 1sb0 h SER 16 N 0.32 0.08 -0.85 7.04 0.02 0.00 0.19 113.55 120.34 1sb0 h SER 16 Ca 0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1sb0 h SER 16 Cb 0.40 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1sb0 h SER 16 CO -0.34 0.06 0.44 -0.74 -1.14 0.00 0.00 176.83 175.12 1sb0 h HIS 17 N 0.12 1.19 -0.36 3.45 -0.00 -0.33 0.37 115.15 119.59 1sb0 h HIS 17 Ca 0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1sb0 h HIS 17 Cb 0.01 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.02 1sb0 h HIS 17 CO -0.09 0.84 0.15 -0.07 -0.00 0.00 0.00 177.93 178.77 1sb0 h LEU 18 N 1.20 0.49 -0.57 0.26 3.38 -0.34 0.83 115.31 120.56 1sb0 h LEU 18 Ca 0.30 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1sb0 h LEU 18 Cb 0.07 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1sb0 h LEU 18 CO -0.04 0.51 0.12 0.58 0.09 0.00 0.00 178.44 179.70 1sb0 h VAL 19 N 0.43 0.67 -0.19 1.22 2.07 -0.20 0.15 116.25 120.40 1sb0 h VAL 19 Ca 0.12 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1sb0 h VAL 19 Cb 0.17 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1sb0 h VAL 19 CO -0.01 0.05 -0.05 -0.74 0.02 0.00 0.00 177.57 176.84 1sb0 h HIS 20 N 0.25 -0.10 -0.65 1.57 -0.00 -0.36 -0.37 115.15 115.49 1sb0 h HIS 20 Ca 0.29 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.82 1sb0 h HIS 20 Cb 0.42 0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 27.80 1sb0 h HIS 20 CO -0.24 -0.08 0.09 0.87 -0.00 0.00 0.00 177.93 178.57 1sb0 h LYS 21 N -0.00 0.19 0.04 5.26 1.79 0.44 0.12 116.57 124.41 1sb0 h LYS 21 Ca 0.09 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1sb0 h LYS 21 Cb 0.14 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1sb0 h LYS 21 CO -0.19 0.13 -0.35 -0.07 -1.08 0.00 0.00 179.45 177.89 1sb0 h LEU 22 N 0.20 -1.03 0.03 2.94 3.38 -0.01 0.21 115.31 121.03 1sb0 h LEU 22 Ca 0.35 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.48 1sb0 h LEU 22 Cb 0.57 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1sb0 h LEU 22 CO -0.49 -0.41 -0.33 0.58 0.09 0.00 0.00 178.44 177.88 1sb0 h VAL 23 N -0.53 0.30 -0.41 1.22 2.07 0.61 0.24 116.25 119.75 1sb0 h VAL 23 Ca 0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1sb0 h VAL 23 Cb 0.59 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1sb0 h VAL 23 CO -0.25 0.00 -0.04 0.06 0.02 0.00 0.00 177.57 177.36 1sb0 h GLN 24 N -0.50 0.69 -0.48 1.57 3.07 -0.67 0.38 115.11 119.16 1sb0 h GLN 24 Ca 0.05 -0.19 -0.11 0.00 0.09 0.00 0.00 58.65 58.49 1sb0 h GLN 24 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1sb0 h GLN 24 CO -0.25 0.73 -0.13 0.00 0.09 0.00 0.00 178.83 179.27 1sb0 h ALA 25 N 1.32 0.67 0.18 0.06 0.00 -0.18 -1.86 119.26 119.45 1sb0 h ALA 25 Ca 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1sb0 h ALA 25 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sb0 h ALA 25 CO 0.02 0.59 -0.09 0.82 0.00 0.00 0.00 179.25 180.59 1sb0 h ILE 26 N 0.79 0.84 -2.90 0.00 2.04 -0.82 -3.44 117.51 114.02 1sb0 h ILE 26 Ca 0.12 -1.03 -0.59 0.00 1.00 0.00 0.00 64.86 64.36 1sb0 h ILE 26 Cb 0.69 1.38 -0.40 0.00 -0.74 0.00 0.00 36.82 37.75 1sb0 h ILE 26 CO 0.05 0.20 -0.78 0.12 0.00 0.00 0.00 178.15 177.75 1sb0 s PHE 27 N -3.70 1.42 -1.13 1.37 2.19 0.13 -3.84 117.98 114.43 1sb0 s PHE 27 Ca -0.13 -1.90 -0.24 0.00 0.33 0.00 0.00 56.93 54.99 1sb0 s PHE 27 Cb 0.01 -1.49 -0.12 0.00 -1.31 0.00 0.00 43.02 40.11 1sb0 s PHE 27 CO 0.50 -0.82 1.99 -1.25 1.83 0.00 0.00 175.22 177.46 1sb0 s PRO 28 N 1.01 2.18 0.12 10.12 0.04 -0.70 -3.75 135.00 144.02 1sb0 s PRO 28 Ca 0.15 -0.88 -0.31 0.00 0.04 0.00 0.00 61.00 60.00 1sb0 s PRO 28 Cb -0.22 -5.16 -0.11 0.00 0.04 0.00 0.00 34.50 29.06 1sb0 s PRO 28 CO -0.09 -4.28 1.85 2.41 0.04 0.00 0.00 177.00 176.93 1sb0 n THR 29 N 8.11 0.40 -0.19 1.26 -1.04 -1.26 -4.92 114.28 116.64 1sb0 n THR 29 Ca 0.44 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.05 62.36 1sb0 n THR 29 Cb 0.47 -2.16 0.05 0.00 -1.82 0.00 0.00 70.33 66.87 1sb0 n THR 29 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1sb0 h PRO 30 N 8.73 -0.03 -3.34 -2.82 0.11 -2.02 -3.43 132.00 129.20 1sb0 h PRO 30 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1sb0 h PRO 30 Cb 1.22 0.01 -0.29 0.00 0.11 0.00 0.00 31.00 32.05 1sb0 h PRO 30 CO 0.95 -0.02 -0.59 0.34 -0.21 0.00 0.00 178.00 178.47 1sb0 s ASP 31 N -5.21 -0.12 0.31 -2.05 -1.08 -1.26 -5.05 116.67 102.22 1sb0 s ASP 31 Ca -0.14 0.27 0.06 0.00 -0.52 0.00 0.00 52.55 52.22 1sb0 s ASP 31 Cb 0.18 0.21 0.86 0.00 -1.46 0.00 0.00 42.92 42.71 1sb0 s ASP 31 CO 0.72 -0.10 1.60 -0.65 0.52 0.00 0.00 175.17 177.27 1sb0 h PRO 32 N 6.63 0.08 -0.87 4.34 0.11 -2.03 0.71 132.00 140.96 1sb0 h PRO 32 Ca -0.34 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.95 1sb0 h PRO 32 Cb 1.17 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1sb0 h PRO 32 CO 0.43 0.05 0.58 0.00 -0.21 0.00 0.00 178.00 178.85 1sb0 h ALA 33 N 1.91 2.15 -0.26 -0.75 0.00 -1.99 -0.04 119.26 120.29 1sb0 h ALA 33 Ca 0.63 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.63 1sb0 h ALA 33 Cb 1.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1sb0 h ALA 33 CO -0.79 -0.42 0.22 0.00 0.00 0.00 0.00 179.25 178.26 1sb0 h ALA 34 N 1.62 2.05 -0.06 0.00 0.00 -1.27 -1.37 119.26 120.23 1sb0 h ALA 34 Ca 0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.37 1sb0 h ALA 34 Cb 1.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1sb0 h ALA 34 CO -0.17 -0.36 0.15 -0.07 0.00 0.00 0.00 179.25 178.81 1sb0 h LEU 35 N 0.00 0.00 -1.91 0.00 3.38 -1.12 -0.18 115.31 115.48 1sb0 h LEU 35 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1sb0 h LEU 35 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1sb0 h LEU 35 CO -0.00 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.54 1sb0 h LYS 36 N 0.00 0.00 -6.81 1.13 1.57 -1.44 -3.28 116.57 107.74 1sb0 h LYS 36 Ca 0.03 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.28 1sb0 h LYS 36 Cb 0.33 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.71 1sb0 h LYS 36 CO -0.00 0.10 0.73 0.34 -0.57 0.00 0.00 179.45 180.05 1sb0 s ASP 37 N -6.69 6.64 0.30 0.86 -1.08 -0.08 -4.75 116.67 111.87 1sb0 s ASP 37 Ca -0.04 2.73 0.06 0.00 -0.52 0.00 0.00 52.55 54.78 1sb0 s ASP 37 Cb 0.15 -2.64 0.77 0.00 -1.46 0.00 0.00 42.92 39.75 1sb0 s ASP 37 CO 0.64 -0.68 1.75 0.03 0.52 0.00 0.00 175.17 177.44 1sb0 h ARG 38 N 4.25 0.64 -0.35 4.34 2.47 -1.89 0.19 114.38 124.04 1sb0 h ARG 38 Ca -0.48 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.27 1sb0 h ARG 38 Cb 1.22 -0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 29.34 1sb0 h ARG 38 CO 0.72 0.42 -0.05 -0.09 0.56 0.00 0.00 179.97 181.53 1sb0 h ARG 39 N 0.66 0.03 -0.24 0.04 2.43 -1.94 -0.43 114.38 114.93 1sb0 h ARG 39 Ca 0.59 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.67 1sb0 h ARG 39 Cb 1.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1sb0 h ARG 39 CO -0.43 0.02 -0.21 0.52 -1.51 0.00 0.00 179.97 178.36 1sb0 h MET 40 N 0.03 0.57 -0.80 0.20 2.86 -1.04 -2.82 114.93 113.94 1sb0 h MET 40 Ca 0.17 -0.29 0.18 0.00 -2.06 0.00 0.00 59.70 57.70 1sb0 h MET 40 Cb 0.25 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.80 1sb0 h MET 40 CO -0.33 0.88 0.28 1.49 1.06 0.00 0.00 176.91 180.28 1sb0 h GLU 41 N 0.28 0.34 -0.39 1.72 4.57 -0.35 0.30 114.58 121.04 1sb0 h GLU 41 Ca 0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1sb0 h GLU 41 Cb 0.76 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1sb0 h GLU 41 CO 0.05 0.23 0.26 -0.91 -1.18 0.00 0.00 179.01 177.46 1sb0 h ASN 42 N 0.35 0.45 -0.67 1.04 2.35 -0.97 0.78 115.58 118.90 1sb0 h ASN 42 Ca 0.47 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 56.14 1sb0 h ASN 42 Cb 0.81 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1sb0 h ASN 42 CO -0.50 0.32 0.16 0.25 -1.65 0.00 0.00 177.43 176.01 1sb0 h LEU 43 N 0.53 1.03 0.11 1.61 5.85 -0.54 0.66 115.31 124.57 1sb0 h LEU 43 Ca 0.14 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1sb0 h LEU 43 Cb -0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1sb0 h LEU 43 CO -0.03 1.00 -0.13 0.58 -0.34 0.00 0.00 178.44 179.52 1sb0 h VAL 44 N 1.01 0.71 -0.29 1.05 2.07 -0.33 0.11 116.25 120.57 1sb0 h VAL 44 Ca 0.21 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.78 1sb0 h VAL 44 Cb 0.38 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1sb0 h VAL 44 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 1sb0 h ALA 45 N 0.58 0.27 -0.12 1.67 0.00 -0.55 0.90 119.26 122.01 1sb0 h ALA 45 Ca 0.01 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1sb0 h ALA 45 Cb 0.27 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1sb0 h ALA 45 CO -0.05 -0.40 -0.29 -0.92 0.00 0.00 0.00 179.25 177.59 1sb0 h TYR 46 N 0.11 -0.80 -0.62 0.00 5.03 -0.65 0.13 116.97 120.16 1sb0 h TYR 46 Ca 0.14 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.53 1sb0 h TYR 46 Cb 0.17 0.37 -0.05 0.00 1.55 0.00 0.00 36.73 38.78 1sb0 h TYR 46 CO -0.20 -0.37 0.36 0.00 -1.32 0.00 0.00 178.16 176.62 1sb0 h ALA 47 N 0.49 0.82 0.15 1.82 0.00 -0.14 0.13 119.26 122.52 1sb0 h ALA 47 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1sb0 h ALA 47 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1sb0 h ALA 47 CO -0.33 0.07 -0.23 0.87 0.00 0.00 0.00 179.25 179.62 1sb0 h LYS 48 N 0.69 -0.43 -0.03 0.00 1.57 -0.50 0.10 116.57 117.98 1sb0 h LYS 48 Ca 0.26 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1sb0 h LYS 48 Cb 0.10 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1sb0 h LYS 48 CO -0.14 -0.29 -0.34 -0.22 -0.57 0.00 0.00 179.45 177.90 1sb0 h LYS 49 N -0.45 -0.45 -0.06 3.15 3.64 -0.31 0.42 116.57 122.51 1sb0 h LYS 49 Ca 0.02 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1sb0 h LYS 49 Cb 0.45 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1sb0 h LYS 49 CO -0.11 -0.30 -0.12 0.28 -2.27 0.00 0.00 179.45 176.93 1sb0 h VAL 50 N -0.47 0.68 -0.31 2.00 2.07 -0.67 0.66 116.25 120.21 1sb0 h VAL 50 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 50 Cb 0.57 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1sb0 h VAL 50 CO -0.30 0.00 0.02 -0.08 0.02 0.00 0.00 177.57 177.23 1sb0 h GLU 51 N -0.18 0.11 -0.01 1.57 4.22 -0.44 0.54 114.58 120.39 1sb0 h GLU 51 Ca 0.06 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.53 1sb0 h GLU 51 Cb 0.27 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1sb0 h GLU 51 CO -0.17 0.07 -0.26 0.78 -2.18 0.00 0.00 179.01 177.25 1sb0 h GLY 52 N 0.11 -0.40 0.06 1.92 0.00 -0.58 0.35 103.07 104.53 1sb0 h GLY 52 Ca 0.15 0.32 0.09 0.00 0.00 0.00 0.00 47.33 47.89 1sb0 h GLY 52 CO -0.23 -0.21 -0.13 -1.80 0.00 0.00 0.00 176.54 174.17 1sb0 h ASP 53 N -0.40 -0.46 -0.48 0.19 3.58 -0.28 -0.87 116.42 117.70 1sb0 h ASP 53 Ca 0.07 0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.67 1sb0 h ASP 53 Cb 0.49 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 1sb0 h ASP 53 CO -0.24 -0.16 0.29 0.24 -2.88 0.00 0.00 179.24 176.49 1sb0 h MET 54 N -0.02 0.58 -0.21 0.28 2.86 -0.52 0.80 114.93 118.70 1sb0 h MET 54 Ca 0.22 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1sb0 h MET 54 Cb 0.35 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1sb0 h MET 54 CO -0.48 0.38 -0.17 -0.92 1.06 0.00 0.00 176.91 176.78 1sb0 h TYR 55 N 0.59 -0.42 -0.13 -0.22 5.03 0.31 0.17 116.97 122.31 1sb0 h TYR 55 Ca 0.18 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.42 1sb0 h TYR 55 Cb -0.02 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1sb0 h TYR 55 CO -0.06 -0.24 -0.39 0.93 -1.32 0.00 0.00 178.16 177.08 1sb0 h GLU 56 N -0.17 0.27 -0.29 1.82 4.39 -0.91 -3.09 114.58 116.59 1sb0 h GLU 56 Ca 0.12 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1sb0 h GLU 56 Cb 0.36 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1sb0 h GLU 56 CO -0.31 0.63 -0.30 0.77 -1.16 0.00 0.00 179.01 178.64 1sb0 h SER 57 N 0.23 0.77 -2.69 1.42 0.02 -0.25 -3.45 113.55 109.61 1sb0 h SER 57 Ca 0.02 -0.47 -0.57 0.00 -0.84 0.00 0.00 61.79 59.93 1sb0 h SER 57 Cb 0.80 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1sb0 h SER 57 CO 0.06 1.09 1.20 0.00 -1.14 0.00 0.00 176.83 178.04 1sb0 s ALA 58 N -4.35 3.13 0.56 3.77 0.00 0.55 -4.89 121.76 120.53 1sb0 s ALA 58 Ca -0.12 0.45 0.35 0.00 0.00 0.00 0.00 51.96 52.64 1sb0 s ALA 58 Cb 0.09 -3.92 1.95 0.00 0.00 0.00 0.00 23.12 21.24 1sb0 s ALA 58 CO 0.83 -2.20 2.25 -2.95 0.00 0.00 0.00 175.76 173.70 1sb0 h ASN 59 N 11.62 0.00 -5.00 0.00 -1.07 -1.87 -3.46 115.58 115.81 1sb0 h ASN 59 Ca -0.35 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.94 1sb0 h ASN 59 Cb 1.17 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.23 1sb0 h ASN 59 CO 1.01 0.02 -0.05 -0.44 0.07 0.00 0.00 177.43 178.04 1sb0 s SER 60 N -5.78 -0.40 0.14 6.14 0.01 -1.26 -4.77 113.70 107.79 1sb0 s SER 60 Ca -0.04 0.30 -0.20 0.00 1.31 0.00 0.00 55.95 57.32 1sb0 s SER 60 Cb 0.14 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.82 1sb0 s SER 60 CO 0.51 -0.57 1.67 -0.09 0.41 0.00 0.00 173.24 175.17 1sb0 h ARG 61 N 3.30 -0.09 -0.84 12.44 2.43 -1.91 0.13 114.38 129.85 1sb0 h ARG 61 Ca -0.29 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.09 1sb0 h ARG 61 Cb 1.17 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.62 1sb0 h ARG 61 CO 0.40 -0.06 0.24 0.22 -1.51 0.00 0.00 179.97 179.26 1sb0 h ASP 62 N -0.10 0.05 -0.12 -3.80 3.58 -1.99 0.63 116.42 114.67 1sb0 h ASP 62 Ca 0.13 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 1sb0 h ASP 62 Cb 0.29 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1sb0 h ASP 62 CO -0.30 -0.09 0.04 -0.08 -2.88 0.00 0.00 179.24 175.92 1sb0 h GLU 63 N 0.26 0.20 -0.61 0.28 4.57 -1.25 0.31 114.58 118.34 1sb0 h GLU 63 Ca 0.51 -0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.77 1sb0 h GLU 63 Cb 0.96 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.42 1sb0 h GLU 63 CO -0.59 0.34 -0.02 -0.92 -1.18 0.00 0.00 179.01 176.65 1sb0 h TYR 64 N 0.01 -0.07 0.26 0.92 3.20 0.39 0.19 116.97 121.86 1sb0 h TYR 64 Ca 0.04 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1sb0 h TYR 64 Cb 0.23 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1sb0 h TYR 64 CO 0.00 -0.17 -0.12 1.88 -1.64 0.00 0.00 178.16 178.10 1sb0 h TYR 65 N 0.10 -0.32 0.16 -3.82 0.05 -0.74 -2.58 116.97 109.82 1sb0 h TYR 65 Ca 0.31 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1sb0 h TYR 65 Cb 0.50 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1sb0 h TYR 65 CO -0.38 -0.18 -0.30 1.25 -1.05 0.00 0.00 178.16 177.51 1sb0 h HIS 66 N -0.37 -0.85 0.00 4.88 2.76 0.44 -0.22 115.15 121.79 1sb0 h HIS 66 Ca -0.04 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1sb0 h HIS 66 Cb 0.28 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1sb0 h HIS 66 CO -0.05 -0.36 -0.12 1.37 -1.30 0.00 0.00 177.93 177.47 1sb0 h LEU 67 N -0.49 0.00 0.69 0.26 8.10 -0.78 0.15 115.31 123.23 1sb0 h LEU 67 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 1sb0 h LEU 67 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1sb0 h LEU 67 CO -0.11 0.12 -0.33 -0.07 -4.11 0.00 0.00 178.44 173.94 1sb0 h LEU 68 N 0.00 -0.78 -0.66 0.17 3.38 -1.20 0.72 115.31 116.95 1sb0 h LEU 68 Ca -0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1sb0 h LEU 68 Cb 0.24 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1sb0 h LEU 68 CO 0.02 -0.45 0.33 0.00 0.09 0.00 0.00 178.44 178.42 1sb0 h ALA 69 N -0.92 0.89 -0.13 1.53 0.00 -0.41 0.29 119.26 120.51 1sb0 h ALA 69 Ca -0.09 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1sb0 h ALA 69 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1sb0 h ALA 69 CO 0.15 -0.04 -0.09 1.49 0.00 0.00 0.00 179.25 180.76 1sb0 h GLU 70 N 0.59 -0.09 -0.24 0.00 4.57 -0.74 0.42 114.58 119.09 1sb0 h GLU 70 Ca 0.31 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.55 1sb0 h GLU 70 Cb 0.29 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 1sb0 h GLU 70 CO -0.23 -0.06 -0.04 -0.22 -1.18 0.00 0.00 179.01 177.28 1sb0 h LYS 71 N -0.09 0.02 -0.34 1.92 1.63 0.35 0.17 116.57 120.23 1sb0 h LYS 71 Ca 0.08 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.95 1sb0 h LYS 71 Cb 0.21 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.76 1sb0 h LYS 71 CO -0.19 0.02 -0.15 0.82 -3.45 0.00 0.00 179.45 176.49 1sb0 h ILE 72 N 0.02 0.53 -0.17 2.00 2.04 -0.70 0.52 117.51 121.75 1sb0 h ILE 72 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1sb0 h ILE 72 Cb 0.17 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1sb0 h ILE 72 CO -0.23 0.00 -0.06 0.22 0.00 0.00 0.00 178.15 178.08 1sb0 h TYR 73 N -0.09 -0.15 -0.34 1.37 3.20 0.13 -0.64 116.97 120.44 1sb0 h TYR 73 Ca 0.17 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1sb0 h TYR 73 Cb 0.35 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1sb0 h TYR 73 CO -0.37 -0.10 -0.04 0.87 -1.64 0.00 0.00 178.16 176.88 1sb0 h LYS 74 N -0.04 0.05 -0.08 1.82 1.57 -0.21 0.26 116.57 119.93 1sb0 h LYS 74 Ca 0.09 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1sb0 h LYS 74 Cb 0.17 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1sb0 h LYS 74 CO -0.19 0.03 -0.38 0.82 -0.57 0.00 0.00 179.45 179.16 1sb0 h ILE 75 N 0.05 0.20 -0.59 1.86 2.04 -0.10 0.13 117.51 121.11 1sb0 h ILE 75 Ca 0.17 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 75 Cb 0.24 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1sb0 h ILE 75 CO -0.31 0.00 0.07 1.56 0.00 0.00 0.00 178.15 179.47 1sb0 h GLN 76 N -0.48 0.99 -0.32 2.37 1.08 -0.69 0.31 115.11 118.37 1sb0 h GLN 76 Ca 0.07 -0.28 0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1sb0 h GLN 76 Cb 0.60 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1sb0 h GLN 76 CO -0.35 0.95 0.12 -0.22 -0.95 0.00 0.00 178.83 178.38 1sb0 h LYS 77 N 0.89 0.26 0.17 1.46 1.63 -0.05 0.36 116.57 121.28 1sb0 h LYS 77 Ca 0.18 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1sb0 h LYS 77 Cb 0.45 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1sb0 h LYS 77 CO 0.02 0.17 -0.08 0.93 -3.45 0.00 0.00 179.45 177.04 1sb0 h GLU 78 N 0.26 -0.22 0.00 1.90 4.39 -0.67 -3.38 114.58 116.86 1sb0 h GLU 78 Ca 0.14 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1sb0 h GLU 78 Cb 0.10 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1sb0 h GLU 78 CO -0.13 -0.14 -0.14 -0.11 -1.16 0.00 0.00 179.01 177.32 1sb0 n LEU 79 N -3.45 0.51 -0.33 1.33 7.94 0.11 -5.00 117.00 118.10 1sb0 n LEU 79 Ca -0.03 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 1sb0 n LEU 79 Cb 0.09 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.69 1sb0 n LEU 79 CO 0.07 -0.07 0.00 1.21 -1.11 0.00 0.00 177.39 177.48 1sb0 n GLU 80 N -1.92 0.00 -0.02 1.96 4.07 0.13 -4.89 120.64 119.96 1sb0 n GLU 80 Ca 0.06 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.15 1sb0 n GLU 80 Cb 0.39 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.73 1sb0 n GLU 80 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1sb0 n GLU 81 N 0.12 2.08 0.00 5.31 0.28 -1.26 -4.89 120.64 122.27 1sb0 n GLU 81 Ca 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1sb0 n GLU 81 Cb 0.00 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1sb0 n GLU 81 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1sb0 n LYS 82 N -2.04 0.00 0.09 3.44 3.00 -1.25 0.47 118.16 121.87 1sb0 n LYS 82 Ca -0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.19 1sb0 n LYS 82 Cb 0.51 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.62 1sb0 n LYS 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1sb0 h ARG 83 N 0.00 0.20 -0.36 1.64 2.43 -1.92 -3.26 114.38 113.11 1sb0 h ARG 83 Ca 0.00 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1sb0 h ARG 83 Cb 0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1sb0 h ARG 83 CO 0.00 0.81 -0.11 0.00 -1.51 0.00 0.00 179.97 179.16 1sb0 h ARG 84 N 0.14 0.72 0.00 0.20 3.08 -0.33 -3.41 114.38 114.78 1sb0 h ARG 84 Ca -0.02 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1sb0 h ARG 84 Cb 1.23 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1sb0 h ARG 84 CO 0.10 0.88 0.00 -1.13 -1.07 0.00 0.00 179.97 178.75 1sb0 n SER 85 N -4.36 0.00 -0.20 7.04 3.41 0.44 -0.30 113.62 119.65 1sb0 n SER 85 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.58 1sb0 n SER 85 Cb 0.36 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1sb0 n SER 85 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sb0 n ARG 86 N 0.00 -0.14 0.00 4.33 3.00 -1.26 -5.11 116.66 117.48 1sb0 n ARG 86 Ca 0.00 0.79 0.04 0.00 -0.01 0.00 0.00 57.85 58.67 1sb0 n ARG 86 Cb 0.00 -1.17 0.22 0.00 0.00 0.00 0.00 32.46 31.51 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52