#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb0 s VAL 2 N 0.00 2.76 0.02 1.61 -7.23 -1.26 -4.96 120.40 111.35 1sb0 s VAL 2 Ca 0.00 0.67 -0.27 0.00 -1.81 0.00 0.00 61.98 60.57 1sb0 s VAL 2 Cb 0.00 -3.43 -0.15 0.00 0.56 0.00 0.00 36.38 33.36 1sb0 s VAL 2 CO 0.00 0.12 1.20 0.03 -0.31 0.00 0.00 175.10 176.14 1sb0 h ARG 3 N 4.64 -0.94 -6.26 4.82 3.08 -2.00 -3.44 114.38 114.28 1sb0 h ARG 3 Ca -0.47 0.06 -0.58 0.00 0.07 0.00 0.00 59.98 59.07 1sb0 h ARG 3 Cb 1.22 0.21 -0.11 0.00 0.08 0.00 0.00 29.97 31.38 1sb0 h ARG 3 CO 0.74 -0.63 -0.67 0.15 -1.07 0.00 0.00 179.97 178.50 1sb0 s LYS 4 N -4.83 2.23 0.18 0.04 -0.14 -1.26 -5.02 119.74 110.94 1sb0 s LYS 4 Ca -0.14 -1.39 -0.21 0.00 -1.36 0.00 0.00 55.97 52.87 1sb0 s LYS 4 Cb 0.01 -2.16 0.10 0.00 -1.68 0.00 0.00 37.83 34.11 1sb0 s LYS 4 CO 0.43 0.38 1.60 0.78 -0.76 0.00 0.00 175.35 177.78 1sb0 h GLY 5 N 2.15 -0.14 2.00 -3.33 0.00 -1.91 0.32 103.07 102.17 1sb0 h GLY 5 Ca -0.45 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1sb0 h GLY 5 CO 0.59 -0.21 0.00 0.11 0.00 0.00 0.00 176.54 177.03 1sb0 h TRP 6 N -0.20 0.00 -0.03 5.60 5.08 -1.97 -1.55 115.95 122.88 1sb0 h TRP 6 Ca 0.20 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.18 1sb0 h TRP 6 Cb 0.53 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.69 1sb0 h TRP 6 CO -0.57 0.00 0.04 1.25 -1.28 0.00 0.00 178.44 177.88 1sb0 h HIS 7 N 0.00 0.00 -1.11 0.12 2.76 -1.20 0.62 115.15 116.34 1sb0 h HIS 7 Ca 0.00 0.00 0.31 0.00 -2.20 0.00 0.00 60.37 58.48 1sb0 h HIS 7 Cb 0.09 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 28.95 1sb0 h HIS 7 CO 0.00 0.00 0.71 1.49 -1.30 0.00 0.00 177.93 178.83 1sb0 h GLU 8 N 0.00 0.30 0.00 5.26 4.81 -1.40 -3.11 114.58 120.43 1sb0 h GLU 8 Ca 0.02 -0.02 -0.41 0.00 -0.13 0.00 0.00 59.36 58.82 1sb0 h GLU 8 Cb 0.10 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1sb0 h GLU 8 CO -0.00 0.20 -2.32 0.72 -0.73 0.00 0.00 179.01 176.88 1sb0 n HIS 9 N -4.64 0.07 -2.53 0.92 8.25 0.10 -4.82 115.22 112.57 1sb0 n HIS 9 Ca 0.28 0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 57.37 1sb0 n HIS 9 Cb 1.02 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1sb0 n HIS 9 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sb0 s VAL 10 N -2.54 3.88 0.76 1.59 1.01 -0.54 -4.98 120.40 119.58 1sb0 s VAL 10 Ca -0.37 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1sb0 s VAL 10 Cb 0.13 -4.99 0.05 0.00 0.00 0.00 0.00 36.38 31.58 1sb0 s VAL 10 CO 0.49 -1.88 1.08 0.42 0.00 0.00 0.00 175.10 175.22 1sb0 s THR 11 N 5.34 3.44 0.30 3.92 -4.23 -1.26 -4.70 115.64 118.45 1sb0 s THR 11 Ca 0.46 0.47 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 1sb0 s THR 11 Cb -0.01 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.11 1sb0 s THR 11 CO -0.07 -0.61 1.79 1.56 -0.54 0.00 0.00 174.62 176.75 1sb0 h GLN 12 N -1.06 0.79 -0.34 3.99 1.08 -1.93 -0.28 115.11 117.36 1sb0 h GLN 12 Ca -0.44 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 56.76 1sb0 h GLN 12 Cb 1.23 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.44 1sb0 h GLN 12 CO 0.53 0.53 0.07 0.22 -0.95 0.00 0.00 178.83 179.23 1sb0 h ASP 13 N 0.82 0.03 -0.07 1.46 3.58 -1.98 0.21 116.42 120.46 1sb0 h ASP 13 Ca 0.56 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 58.06 1sb0 h ASP 13 Cb 0.80 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 1sb0 h ASP 13 CO -0.35 0.05 0.04 0.25 -2.88 0.00 0.00 179.24 176.36 1sb0 h LEU 14 N 0.20 0.08 -0.60 2.28 5.85 -1.47 -0.19 115.31 121.46 1sb0 h LEU 14 Ca 0.16 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1sb0 h LEU 14 Cb 0.17 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 1sb0 h LEU 14 CO -0.20 0.11 0.13 0.03 -0.34 0.00 0.00 178.44 178.16 1sb0 h ARG 15 N 0.05 0.25 -0.19 1.25 3.08 -0.85 0.12 114.38 118.09 1sb0 h ARG 15 Ca 0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1sb0 h ARG 15 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1sb0 h ARG 15 CO -0.00 0.17 0.06 0.77 -1.07 0.00 0.00 179.97 179.89 1sb0 h SER 16 N 0.26 0.07 -0.71 7.04 0.02 -0.21 0.65 113.55 120.67 1sb0 h SER 16 Ca 0.32 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1sb0 h SER 16 Cb 0.47 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1sb0 h SER 16 CO -0.41 0.07 0.27 -0.74 -1.14 0.00 0.00 176.83 174.88 1sb0 h HIS 17 N 0.16 1.11 -0.32 3.45 -0.00 -0.18 0.26 115.15 119.62 1sb0 h HIS 17 Ca 0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1sb0 h HIS 17 Cb 0.05 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1sb0 h HIS 17 CO -0.12 0.85 0.16 -0.07 -0.00 0.00 0.00 177.93 178.75 1sb0 h LEU 18 N 1.06 0.41 -0.36 0.26 3.38 -0.32 0.18 115.31 119.92 1sb0 h LEU 18 Ca 0.24 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1sb0 h LEU 18 Cb 0.23 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1sb0 h LEU 18 CO -0.02 0.41 -0.18 0.58 0.09 0.00 0.00 178.44 179.32 1sb0 h VAL 19 N 0.39 0.46 -0.57 1.22 2.07 -0.55 0.13 116.25 119.41 1sb0 h VAL 19 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1sb0 h VAL 19 Cb 0.10 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 1sb0 h VAL 19 CO -0.02 0.00 0.09 -0.74 0.02 0.00 0.00 177.57 176.93 1sb0 h HIS 20 N -0.12 0.13 -0.41 1.57 -0.00 -0.40 -0.91 115.15 115.00 1sb0 h HIS 20 Ca 0.18 0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.62 1sb0 h HIS 20 Cb 0.40 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.80 1sb0 h HIS 20 CO -0.40 -0.05 0.20 0.87 -0.00 0.00 0.00 177.93 178.54 1sb0 h LYS 21 N 0.22 0.39 -0.29 5.26 1.79 0.47 0.11 116.57 124.52 1sb0 h LYS 21 Ca 0.30 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.81 1sb0 h LYS 21 Cb 0.44 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 1sb0 h LYS 21 CO -0.40 0.26 -0.22 -0.07 -1.08 0.00 0.00 179.45 177.94 1sb0 h LEU 22 N 0.41 -0.71 -0.01 2.94 3.38 0.07 0.11 115.31 121.49 1sb0 h LEU 22 Ca 0.18 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1sb0 h LEU 22 Cb 0.09 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1sb0 h LEU 22 CO -0.13 -0.25 -0.20 0.58 0.09 0.00 0.00 178.44 178.53 1sb0 h VAL 23 N -0.20 0.52 -0.28 1.22 2.07 -0.58 -2.52 116.25 116.48 1sb0 h VAL 23 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1sb0 h VAL 23 Cb 0.43 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1sb0 h VAL 23 CO -0.41 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 178.66 1sb0 h GLN 24 N -0.31 -0.02 -0.52 1.57 1.08 0.11 0.36 115.11 117.37 1sb0 h GLN 24 Ca 0.06 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1sb0 h GLN 24 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1sb0 h GLN 24 CO -0.20 -0.01 0.13 0.00 -0.95 0.00 0.00 178.83 177.80 1sb0 h ALA 25 N 1.25 1.25 0.09 3.87 0.00 -0.67 -2.31 119.26 122.73 1sb0 h ALA 25 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sb0 h ALA 25 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sb0 h ALA 25 CO -0.30 0.52 -0.04 0.82 0.00 0.00 0.00 179.25 180.25 1sb0 h ILE 26 N 0.77 1.09 -2.99 0.00 2.04 -1.13 -3.44 117.51 113.84 1sb0 h ILE 26 Ca 0.17 -1.39 -0.53 0.00 1.00 0.00 0.00 64.86 64.12 1sb0 h ILE 26 Cb 0.28 1.88 -0.40 0.00 -0.74 0.00 0.00 36.82 37.84 1sb0 h ILE 26 CO -0.00 0.30 -0.77 0.12 0.00 0.00 0.00 178.15 177.80 1sb0 s PHE 27 N -3.18 0.72 -0.38 1.37 2.19 0.12 -4.70 117.98 114.13 1sb0 s PHE 27 Ca -0.14 -0.98 -0.28 0.00 0.33 0.00 0.00 56.93 55.87 1sb0 s PHE 27 Cb -0.00 -1.07 -0.03 0.00 -1.31 0.00 0.00 43.02 40.61 1sb0 s PHE 27 CO 0.52 -0.75 1.93 -1.25 1.83 0.00 0.00 175.22 177.50 1sb0 s PRO 28 N 1.96 3.05 0.13 10.12 0.04 -0.90 -3.58 135.00 145.84 1sb0 s PRO 28 Ca 0.06 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1sb0 s PRO 28 Cb -0.16 -4.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.01 1sb0 s PRO 28 CO -0.25 -2.19 1.15 0.99 0.04 0.00 0.00 177.00 176.74 1sb0 s THR 29 N 8.02 3.88 0.17 1.26 2.01 -1.26 -4.95 115.64 124.77 1sb0 s THR 29 Ca 0.82 1.50 -0.10 0.00 0.31 0.00 0.00 61.69 64.22 1sb0 s THR 29 Cb -0.22 -3.96 0.06 0.00 0.01 0.00 0.00 72.50 68.40 1sb0 s THR 29 CO 0.31 0.20 1.64 1.55 -0.69 0.00 0.00 174.62 177.63 1sb0 h PRO 30 N 5.77 1.03 -2.78 4.92 0.13 -1.98 -3.45 132.00 135.65 1sb0 h PRO 30 Ca -0.43 -0.31 -0.12 0.00 -0.87 0.00 0.00 66.00 64.26 1sb0 h PRO 30 Cb 1.21 -0.10 -0.24 0.00 0.13 0.00 0.00 31.00 32.00 1sb0 h PRO 30 CO 0.76 1.00 -0.25 0.34 -0.23 0.00 0.00 178.00 179.62 1sb0 s ASP 31 N -6.49 -0.41 0.31 1.44 -1.08 -1.26 -5.05 116.67 104.13 1sb0 s ASP 31 Ca -0.12 0.77 0.03 0.00 -0.52 0.00 0.00 52.55 52.71 1sb0 s ASP 31 Cb 0.13 0.79 0.79 0.00 -1.46 0.00 0.00 42.92 43.18 1sb0 s ASP 31 CO 0.85 -0.16 1.59 -0.65 0.52 0.00 0.00 175.17 177.32 1sb0 h PRO 32 N 5.41 0.05 -0.87 4.34 0.11 -2.04 0.19 132.00 139.19 1sb0 h PRO 32 Ca -0.27 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.99 1sb0 h PRO 32 Cb 1.18 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1sb0 h PRO 32 CO 0.26 0.03 0.56 0.00 -0.21 0.00 0.00 178.00 178.65 1sb0 h ALA 33 N 1.93 1.91 -0.01 -0.75 0.00 -2.00 -0.73 119.26 119.61 1sb0 h ALA 33 Ca 0.61 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1sb0 h ALA 33 Cb 1.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sb0 h ALA 33 CO -0.84 -0.15 0.04 0.00 0.00 0.00 0.00 179.25 178.30 1sb0 h ALA 34 N 1.61 1.22 -0.31 0.00 0.00 -1.03 -0.70 119.26 120.04 1sb0 h ALA 34 Ca 0.44 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.44 1sb0 h ALA 34 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1sb0 h ALA 34 CO -0.19 -0.05 0.30 -0.07 0.00 0.00 0.00 179.25 179.24 1sb0 h LEU 35 N 0.00 0.00 -0.89 0.00 3.38 -1.22 0.05 115.31 116.63 1sb0 h LEU 35 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sb0 h LEU 35 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sb0 h LEU 35 CO -0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 1sb0 h LYS 36 N 0.00 0.00 -6.72 1.13 1.57 -1.31 -3.25 116.57 107.98 1sb0 h LYS 36 Ca 0.15 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.40 1sb0 h LYS 36 Cb 0.74 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.12 1sb0 h LYS 36 CO -0.00 0.00 0.88 0.34 -0.57 0.00 0.00 179.45 180.10 1sb0 s ASP 37 N -4.51 6.48 0.60 0.86 -1.08 0.00 -4.78 116.67 114.25 1sb0 s ASP 37 Ca 0.03 2.80 0.29 0.00 -0.52 0.00 0.00 52.55 55.16 1sb0 s ASP 37 Cb 0.09 -2.62 1.58 0.00 -1.46 0.00 0.00 42.92 40.51 1sb0 s ASP 37 CO 0.41 -0.86 1.98 0.03 0.52 0.00 0.00 175.17 177.25 1sb0 h ARG 38 N 5.66 0.00 -0.03 4.34 3.08 -1.89 0.21 114.38 125.75 1sb0 h ARG 38 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 1sb0 h ARG 38 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1sb0 h ARG 38 CO 0.85 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 179.69 1sb0 h ARG 39 N 0.00 0.10 -0.51 0.04 3.08 -1.94 -3.33 114.38 111.81 1sb0 h ARG 39 Ca 0.13 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1sb0 h ARG 39 Cb 0.84 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1sb0 h ARG 39 CO -0.00 0.63 -0.11 0.52 -1.07 0.00 0.00 179.97 179.94 1sb0 h MET 40 N -0.42 0.96 -1.01 0.04 2.86 -0.96 -3.07 114.93 113.33 1sb0 h MET 40 Ca 0.00 -0.35 0.42 0.00 -2.06 0.00 0.00 59.70 57.71 1sb0 h MET 40 Cb 0.62 -0.07 -0.18 0.00 0.06 0.00 0.00 31.60 32.04 1sb0 h MET 40 CO 0.01 1.01 0.55 1.49 1.06 0.00 0.00 176.91 181.03 1sb0 h GLU 41 N 0.86 0.02 0.07 1.72 4.81 -0.96 0.20 114.58 121.28 1sb0 h GLU 41 Ca 0.14 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1sb0 h GLU 41 Cb 0.65 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1sb0 h GLU 41 CO 0.05 0.01 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.40 1sb0 h ASN 42 N 0.02 -0.08 -0.62 1.04 2.35 -1.68 0.13 115.58 116.73 1sb0 h ASN 42 Ca 0.84 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 56.38 1sb0 h ASN 42 Cb 2.23 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 40.59 1sb0 h ASN 42 CO -0.76 0.14 0.29 -0.07 -1.65 0.00 0.00 177.43 175.39 1sb0 h LEU 43 N -0.29 0.83 -0.03 1.61 4.07 -0.87 0.27 115.31 120.88 1sb0 h LEU 43 Ca -0.01 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.84 1sb0 h LEU 43 Cb 0.26 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1sb0 h LEU 43 CO 0.01 0.74 -0.19 0.58 -1.08 0.00 0.00 178.44 178.50 1sb0 h VAL 44 N 0.86 0.55 -0.12 1.22 2.07 -0.82 0.13 116.25 120.15 1sb0 h VAL 44 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1sb0 h VAL 44 Cb 0.14 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1sb0 h VAL 44 CO -0.02 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.49 1sb0 h ALA 45 N 0.65 0.02 -0.10 1.67 0.00 -0.36 0.13 119.26 121.28 1sb0 h ALA 45 Ca 0.07 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 45 Cb 0.38 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1sb0 h ALA 45 CO -0.20 -0.53 -0.17 -0.92 0.00 0.00 0.00 179.25 177.43 1sb0 h TYR 46 N -0.08 -0.44 -0.38 0.00 3.20 -0.74 0.36 116.97 118.89 1sb0 h TYR 46 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1sb0 h TYR 46 Cb 0.18 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1sb0 h TYR 46 CO -0.20 -0.25 0.14 0.00 -1.64 0.00 0.00 178.16 176.22 1sb0 h ALA 47 N 0.78 0.45 0.11 1.82 0.00 -0.33 0.10 119.26 122.19 1sb0 h ALA 47 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 47 Cb 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1sb0 h ALA 47 CO -0.24 -0.24 -0.22 0.87 0.00 0.00 0.00 179.25 179.42 1sb0 h LYS 48 N 0.30 -0.39 0.06 0.00 1.57 -0.46 0.14 116.57 117.80 1sb0 h LYS 48 Ca 0.17 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1sb0 h LYS 48 Cb 0.14 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1sb0 h LYS 48 CO -0.17 -0.26 -0.31 -0.22 -0.57 0.00 0.00 179.45 177.92 1sb0 h LYS 49 N -0.40 -0.48 -0.50 3.15 3.64 -0.44 0.12 116.57 121.65 1sb0 h LYS 49 Ca 0.03 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1sb0 h LYS 49 Cb 0.43 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1sb0 h LYS 49 CO -0.13 -0.32 0.26 -0.24 -2.27 0.00 0.00 179.45 176.76 1sb0 h VAL 50 N -0.50 1.18 -0.54 2.00 3.04 -0.74 -0.23 116.25 120.46 1sb0 h VAL 50 Ca 0.05 -0.47 0.07 0.00 -1.01 0.00 0.00 66.70 65.33 1sb0 h VAL 50 Cb 0.56 0.58 -0.06 0.00 -2.01 0.00 0.00 31.29 30.36 1sb0 h VAL 50 CO -0.22 0.19 0.23 -0.08 -1.01 0.00 0.00 177.57 176.68 1sb0 h GLU 51 N 0.66 0.43 -0.08 4.17 4.22 -0.38 0.65 114.58 124.25 1sb0 h GLU 51 Ca 0.17 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.63 1sb0 h GLU 51 Cb 0.07 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1sb0 h GLU 51 CO -0.03 0.28 -0.28 0.78 -2.18 0.00 0.00 179.01 177.59 1sb0 h GLY 52 N 0.44 -0.38 0.11 1.92 0.00 -0.16 0.20 103.07 105.20 1sb0 h GLY 52 Ca 0.25 0.34 0.09 0.00 0.00 0.00 0.00 47.33 48.02 1sb0 h GLY 52 CO -0.22 -0.21 -0.10 -1.80 0.00 0.00 0.00 176.54 174.21 1sb0 h ASP 53 N -0.38 -0.39 -0.71 0.19 3.58 -0.30 -0.33 116.42 118.08 1sb0 h ASP 53 Ca 0.08 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1sb0 h ASP 53 Cb 0.51 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1sb0 h ASP 53 CO -0.30 -0.14 0.42 0.24 -2.88 0.00 0.00 179.24 176.58 1sb0 h MET 54 N 0.02 0.98 -0.14 0.28 2.86 -0.50 -0.28 114.93 118.15 1sb0 h MET 54 Ca 0.22 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1sb0 h MET 54 Cb 0.34 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1sb0 h MET 54 CO -0.46 0.71 -0.01 -0.92 1.06 0.00 0.00 176.91 177.30 1sb0 h TYR 55 N 0.98 -0.02 -0.67 -0.22 5.03 0.60 0.27 116.97 122.94 1sb0 h TYR 55 Ca 0.25 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 1sb0 h TYR 55 Cb -0.00 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1sb0 h TYR 55 CO -0.01 -0.03 0.29 0.93 -1.32 0.00 0.00 178.16 178.02 1sb0 h GLU 56 N 0.04 1.00 -0.55 1.82 4.39 -0.90 -2.92 114.58 117.45 1sb0 h GLU 56 Ca 0.07 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1sb0 h GLU 56 Cb 0.08 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1sb0 h GLU 56 CO -0.12 0.82 0.23 0.77 -1.16 0.00 0.00 179.01 179.55 1sb0 h SER 57 N 0.95 0.76 -2.42 1.42 0.02 -0.62 -3.43 113.55 110.22 1sb0 h SER 57 Ca 0.23 -0.16 -0.55 0.00 -0.84 0.00 0.00 61.79 60.46 1sb0 h SER 57 Cb 0.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1sb0 h SER 57 CO -0.02 0.71 1.32 0.00 -1.14 0.00 0.00 176.83 177.71 1sb0 s ALA 58 N -5.58 2.64 -0.43 3.77 0.00 0.91 -4.85 121.76 118.22 1sb0 s ALA 58 Ca -0.13 0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.17 1sb0 s ALA 58 Cb 0.12 -4.10 0.93 0.00 0.00 0.00 0.00 23.12 20.08 1sb0 s ALA 58 CO 0.78 -3.02 1.77 -0.91 0.00 0.00 0.00 175.76 174.39 1sb0 h ASN 59 N 13.83 0.00 -5.20 0.00 -0.26 -1.85 -3.46 115.58 118.64 1sb0 h ASN 59 Ca -0.32 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.34 1sb0 h ASN 59 Cb 1.18 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.32 1sb0 h ASN 59 CO 1.08 0.00 -0.24 -0.55 -1.06 0.00 0.00 177.43 176.66 1sb0 s SER 60 N -4.86 -0.03 0.15 5.81 0.15 -1.26 -4.86 113.70 108.80 1sb0 s SER 60 Ca 0.06 -0.73 -0.17 0.00 0.70 0.00 0.00 55.95 55.81 1sb0 s SER 60 Cb 0.10 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.92 1sb0 s SER 60 CO 0.51 -0.91 1.72 -0.09 1.20 0.00 0.00 173.24 175.67 1sb0 h ARG 61 N 2.48 0.12 -0.35 5.44 2.43 -1.91 0.17 114.38 122.76 1sb0 h ARG 61 Ca -0.31 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1sb0 h ARG 61 Cb 1.23 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.67 1sb0 h ARG 61 CO 0.47 0.08 -0.28 0.38 -1.51 0.00 0.00 179.97 179.11 1sb0 h ASP 62 N 0.13 -0.92 -0.09 -3.80 3.04 -1.99 0.47 116.42 113.26 1sb0 h ASP 62 Ca 0.16 0.17 0.03 0.00 -3.24 0.00 0.00 57.03 54.15 1sb0 h ASP 62 Cb 0.20 0.44 -0.04 0.00 -1.04 0.00 0.00 39.33 38.89 1sb0 h ASP 62 CO -0.24 -0.29 -0.12 -0.08 -2.04 0.00 0.00 179.24 176.47 1sb0 h GLU 63 N -0.23 -0.16 -0.42 4.15 4.81 -1.87 0.01 114.58 120.86 1sb0 h GLU 63 Ca 0.17 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1sb0 h GLU 63 Cb 0.50 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1sb0 h GLU 63 CO -0.49 -0.10 -0.22 -0.92 -0.73 0.00 0.00 179.01 176.55 1sb0 h TYR 64 N -0.16 -0.57 0.07 0.92 3.20 0.08 0.20 116.97 120.71 1sb0 h TYR 64 Ca 0.07 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1sb0 h TYR 64 Cb 0.27 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1sb0 h TYR 64 CO -0.22 -0.30 -0.11 1.88 -1.64 0.00 0.00 178.16 177.77 1sb0 h TYR 65 N -0.14 -0.28 0.42 -3.82 0.05 -0.79 -2.51 116.97 109.90 1sb0 h TYR 65 Ca 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 1sb0 h TYR 65 Cb 0.46 0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1sb0 h TYR 65 CO -0.47 -0.17 -0.47 1.25 -1.05 0.00 0.00 178.16 177.25 1sb0 h HIS 66 N -0.22 -1.32 -0.04 4.88 2.76 0.64 0.63 115.15 122.48 1sb0 h HIS 66 Ca 0.02 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 1sb0 h HIS 66 Cb 0.24 0.52 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1sb0 h HIS 66 CO -0.14 -0.62 -0.28 1.37 -1.30 0.00 0.00 177.93 176.96 1sb0 h LEU 67 N -0.90 0.07 0.19 0.26 8.10 -0.76 0.17 115.31 122.44 1sb0 h LEU 67 Ca -0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 1sb0 h LEU 67 Cb 0.80 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 1sb0 h LEU 67 CO -0.09 0.35 -0.09 -0.07 -4.11 0.00 0.00 178.44 174.44 1sb0 h LEU 68 N 0.06 -0.22 -0.58 0.17 3.38 -1.29 0.95 115.31 117.78 1sb0 h LEU 68 Ca 0.01 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1sb0 h LEU 68 Cb 0.54 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1sb0 h LEU 68 CO 0.04 0.10 0.20 0.00 0.09 0.00 0.00 178.44 178.87 1sb0 h ALA 69 N 0.18 0.73 -0.44 1.53 0.00 -0.57 -0.26 119.26 120.42 1sb0 h ALA 69 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1sb0 h ALA 69 Cb 0.42 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sb0 h ALA 69 CO 0.04 -0.21 0.29 1.49 0.00 0.00 0.00 179.25 180.86 1sb0 h GLU 70 N 0.38 0.57 0.10 0.00 4.57 -0.63 0.13 114.58 119.70 1sb0 h GLU 70 Ca 0.29 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1sb0 h GLU 70 Cb 0.35 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1sb0 h GLU 70 CO -0.30 0.38 -0.25 -0.22 -1.18 0.00 0.00 179.01 177.43 1sb0 h LYS 71 N 0.58 -0.43 -0.27 1.92 1.63 0.15 0.16 116.57 120.31 1sb0 h LYS 71 Ca 0.16 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.06 1sb0 h LYS 71 Cb -0.05 0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 31.60 1sb0 h LYS 71 CO -0.04 -0.29 -0.28 0.82 -3.45 0.00 0.00 179.45 176.20 1sb0 h ILE 72 N -0.45 0.31 -0.18 2.00 2.04 -0.83 -0.72 117.51 119.68 1sb0 h ILE 72 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1sb0 h ILE 72 Cb 0.48 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1sb0 h ILE 72 CO -0.16 0.00 -0.14 0.22 0.00 0.00 0.00 178.15 178.07 1sb0 h TYR 73 N -0.28 -0.34 -0.10 1.37 5.03 -0.21 0.54 116.97 122.97 1sb0 h TYR 73 Ca 0.14 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.51 1sb0 h TYR 73 Cb 0.51 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.93 1sb0 h TYR 73 CO -0.44 -0.20 -0.10 0.87 -1.32 0.00 0.00 178.16 176.96 1sb0 h LYS 74 N -0.15 -0.12 -0.33 1.82 1.57 -0.49 0.22 116.57 119.08 1sb0 h LYS 74 Ca 0.11 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1sb0 h LYS 74 Cb 0.31 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 1sb0 h LYS 74 CO -0.27 -0.08 -0.21 0.82 -0.57 0.00 0.00 179.45 179.14 1sb0 h ILE 75 N -0.13 0.41 -0.34 1.86 2.04 -0.34 0.67 117.51 121.69 1sb0 h ILE 75 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1sb0 h ILE 75 Cb 0.24 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1sb0 h ILE 75 CO -0.18 0.00 0.16 1.56 0.00 0.00 0.00 178.15 179.69 1sb0 h GLN 76 N -0.17 0.49 -0.90 2.37 1.08 -0.54 0.37 115.11 117.81 1sb0 h GLN 76 Ca 0.17 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.38 1sb0 h GLN 76 Cb 0.43 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.71 1sb0 h GLN 76 CO -0.44 0.45 0.55 0.87 -0.95 0.00 0.00 178.83 179.32 1sb0 h LYS 77 N 0.42 0.94 0.05 1.46 1.79 0.12 0.33 116.57 121.68 1sb0 h LYS 77 Ca 0.12 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1sb0 h LYS 77 Cb 0.12 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1sb0 h LYS 77 CO -0.01 0.62 -0.02 0.93 -1.08 0.00 0.00 179.45 179.89 1sb0 h GLU 78 N 0.97 -0.07 0.00 3.15 4.39 -0.73 -3.40 114.58 118.90 1sb0 h GLU 78 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1sb0 h GLU 78 Cb 0.26 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1sb0 h GLU 78 CO -0.20 -0.04 -0.05 -0.11 -1.16 0.00 0.00 179.01 177.45 1sb0 n LEU 79 N -3.86 0.31 -0.45 1.33 7.94 0.13 -5.00 117.00 117.39 1sb0 n LEU 79 Ca -0.01 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1sb0 n LEU 79 Cb 0.03 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1sb0 n LEU 79 CO 0.02 -0.05 0.00 1.21 -1.11 0.00 0.00 177.39 177.46 1sb0 n GLU 80 N -1.76 0.00 -0.15 1.96 2.13 0.12 -4.85 120.64 118.08 1sb0 n GLU 80 Ca 0.06 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.90 1sb0 n GLU 80 Cb 0.37 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.17 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1sb0 n GLU 81 N 0.14 1.66 -0.29 5.31 -0.58 -1.26 -4.47 120.64 121.15 1sb0 n GLU 81 Ca 0.00 -0.66 0.28 0.00 -0.42 0.00 0.00 57.16 56.36 1sb0 n GLU 81 Cb 0.00 -1.43 0.64 0.00 -0.57 0.00 0.00 31.44 30.08 1sb0 n GLU 81 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1sb0 h LYS 82 N 0.93 0.16 -0.95 3.49 3.64 -1.89 0.35 116.57 122.32 1sb0 h LYS 82 Ca 0.00 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1sb0 h LYS 82 Cb 0.56 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1sb0 h LYS 82 CO 0.06 0.11 0.52 0.00 -2.27 0.00 0.00 179.45 177.87 1sb0 h ARG 83 N 0.17 0.57 0.00 1.90 3.08 -1.99 -3.34 114.38 114.77 1sb0 h ARG 83 Ca 0.54 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.56 1sb0 h ARG 83 Cb 1.80 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1sb0 h ARG 83 CO -0.12 0.38 -0.73 0.54 -1.07 0.00 0.00 179.97 178.97 1sb0 n ARG 84 N -4.89 0.38 -1.70 0.04 1.74 0.59 -5.06 116.66 107.76 1sb0 n ARG 84 Ca 0.23 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 57.04 1sb0 n ARG 84 Cb 0.61 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.88 1sb0 n ARG 84 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sb0 n SER 85 N -4.18 2.84 -4.74 0.55 3.41 0.93 -4.81 113.62 107.61 1sb0 n SER 85 Ca -0.10 1.21 -0.42 0.00 -0.26 0.00 0.00 58.87 59.30 1sb0 n SER 85 Cb 0.38 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 62.82 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 0.59 2.61 0.00 4.33 1.74 -1.26 -4.68 116.66 120.00 1sb0 n ARG 86 Ca 0.05 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 1sb0 n ARG 86 Cb 0.36 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.12 1sb0 n ARG 86 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58