#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 2.43 -0.31 1.61 0.24 -1.26 -4.72 118.33 116.32 1sb0 n VAL 2 Ca 0.00 -1.12 0.15 0.00 -2.04 0.00 0.00 64.34 61.33 1sb0 n VAL 2 Cb 0.00 -1.83 0.33 0.00 -1.47 0.00 0.00 33.84 30.87 1sb0 n VAL 2 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1sb0 h ARG 3 N 2.94 0.24 -0.38 7.34 0.11 -2.01 0.45 114.38 123.06 1sb0 h ARG 3 Ca 0.13 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1sb0 h ARG 3 Cb 1.23 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1sb0 h ARG 3 CO 0.21 0.16 0.00 1.63 0.10 0.00 0.00 179.97 182.06 1sb0 n LYS 4 N -5.18 2.28 0.00 0.08 4.76 -1.26 -4.99 118.16 113.85 1sb0 n LYS 4 Ca 0.24 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.73 1sb0 n LYS 4 Cb 0.74 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1sb0 n LYS 4 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sb0 n GLY 5 N 1.40 1.29 0.40 0.72 0.00 0.15 -4.39 105.19 104.75 1sb0 n GLY 5 Ca 0.19 0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.50 1sb0 n GLY 5 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1sb0 h TRP 6 N 0.00 0.68 -0.78 1.61 5.08 -1.92 0.55 115.95 121.17 1sb0 h TRP 6 Ca 0.00 0.02 0.27 0.00 1.08 0.00 0.00 58.89 60.26 1sb0 h TRP 6 Cb 0.00 -0.20 -0.14 0.00 -3.00 0.00 0.00 29.16 25.82 1sb0 h TRP 6 CO 0.00 0.11 0.21 1.58 -1.28 0.00 0.00 178.44 179.06 1sb0 n HIS 7 N -4.61 0.69 -0.23 0.12 -0.00 -1.26 -0.45 115.22 109.48 1sb0 n HIS 7 Ca 0.23 0.93 0.10 0.00 0.46 0.00 0.00 57.72 59.44 1sb0 n HIS 7 Cb 0.78 -1.20 0.38 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.68 -0.07 1.57 4.11 -1.20 -2.15 114.58 117.51 1sb0 h GLU 8 Ca 0.56 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.83 1sb0 h GLU 8 Cb 1.34 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1sb0 h GLU 8 CO -0.67 0.45 -0.42 0.45 0.07 0.00 0.00 179.01 178.89 1sb0 h HIS 9 N 0.70 0.56 -1.35 2.06 3.86 -0.96 -3.40 115.15 116.62 1sb0 h HIS 9 Ca 0.39 -0.26 -0.64 0.00 -1.16 0.00 0.00 60.37 58.71 1sb0 h HIS 9 Cb 0.56 -0.08 -0.11 0.00 1.06 0.00 0.00 27.41 28.83 1sb0 h HIS 9 CO -0.00 1.02 1.49 0.08 0.86 0.00 0.00 177.93 181.38 1sb0 s VAL 10 N -3.59 4.15 0.92 2.45 1.01 -0.81 -4.98 120.40 119.55 1sb0 s VAL 10 Ca -0.14 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 1sb0 s VAL 10 Cb 0.04 -5.03 0.14 0.00 0.00 0.00 0.00 36.38 31.54 1sb0 s VAL 10 CO 0.80 -1.86 1.09 0.42 0.00 0.00 0.00 175.10 175.55 1sb0 s THR 11 N 4.28 2.52 0.31 3.92 -4.23 -1.26 -4.75 115.64 116.43 1sb0 s THR 11 Ca 0.45 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1sb0 s THR 11 Cb -0.00 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.49 1sb0 s THR 11 CO -0.06 -0.22 1.77 -0.61 -0.54 0.00 0.00 174.62 174.96 1sb0 h GLN 12 N -1.64 0.71 -0.01 3.99 5.75 -1.94 -0.18 115.11 121.79 1sb0 h GLN 12 Ca -0.51 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 57.97 1sb0 h GLN 12 Cb 1.29 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 1sb0 h GLN 12 CO 0.55 0.47 -0.07 -0.44 -2.65 0.00 0.00 178.83 176.69 1sb0 h ASP 13 N 0.73 -0.22 -0.43 -0.69 5.19 -1.98 0.19 116.42 119.22 1sb0 h ASP 13 Ca 0.59 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 57.00 1sb0 h ASP 13 Cb 0.95 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1sb0 h ASP 13 CO -0.39 -0.11 0.16 0.25 -3.12 0.00 0.00 179.24 176.03 1sb0 h LEU 14 N -0.13 0.61 -0.33 1.55 5.85 -1.59 0.11 115.31 121.38 1sb0 h LEU 14 Ca 0.03 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1sb0 h LEU 14 Cb 0.17 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 1sb0 h LEU 14 CO -0.08 0.62 -0.27 0.03 -0.34 0.00 0.00 178.44 178.40 1sb0 h ARG 15 N 0.55 -0.23 -0.60 1.25 3.08 -0.81 0.86 114.38 118.49 1sb0 h ARG 15 Ca 0.14 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.24 1sb0 h ARG 15 Cb 0.22 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1sb0 h ARG 15 CO -0.01 -0.15 0.36 0.77 -1.07 0.00 0.00 179.97 179.87 1sb0 h SER 16 N -0.23 0.58 -0.40 7.04 0.02 -0.18 0.15 113.55 120.51 1sb0 h SER 16 Ca 0.16 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1sb0 h SER 16 Cb 0.49 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1sb0 h SER 16 CO -0.47 0.40 0.13 -0.74 -1.14 0.00 0.00 176.83 175.01 1sb0 h HIS 17 N 0.70 0.64 -0.40 3.45 6.17 -0.26 0.00 115.15 125.46 1sb0 h HIS 17 Ca 0.25 -0.06 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 1sb0 h HIS 17 Cb 0.05 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 1sb0 h HIS 17 CO -0.06 0.60 0.18 -0.07 0.71 0.00 0.00 177.93 179.28 1sb0 h LEU 18 N 0.50 0.54 -0.59 0.26 3.38 -0.40 0.30 115.31 119.29 1sb0 h LEU 18 Ca 0.13 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1sb0 h LEU 18 Cb 0.26 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1sb0 h LEU 18 CO -0.00 0.54 -0.01 0.58 0.09 0.00 0.00 178.44 179.63 1sb0 h VAL 19 N 0.50 0.50 -0.11 1.22 2.07 -0.54 0.19 116.25 120.08 1sb0 h VAL 19 Ca 0.14 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1sb0 h VAL 19 Cb 0.16 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1sb0 h VAL 19 CO -0.01 0.02 -0.10 -0.74 0.02 0.00 0.00 177.57 176.76 1sb0 h HIS 20 N 0.10 -0.24 -0.79 1.57 -0.00 -0.32 -0.60 115.15 114.87 1sb0 h HIS 20 Ca 0.31 0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.85 1sb0 h HIS 20 Cb 0.49 0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 27.92 1sb0 h HIS 20 CO -0.37 -0.15 0.32 0.87 -0.00 0.00 0.00 177.93 178.61 1sb0 h LYS 21 N -0.12 0.44 0.05 5.26 1.79 0.35 0.88 116.57 125.21 1sb0 h LYS 21 Ca 0.08 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1sb0 h LYS 21 Cb 0.23 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1sb0 h LYS 21 CO -0.18 0.29 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.27 1sb0 h LEU 22 N 0.45 -0.38 -0.42 2.94 3.38 0.10 0.20 115.31 121.58 1sb0 h LEU 22 Ca 0.44 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.54 1sb0 h LEU 22 Cb 0.70 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1sb0 h LEU 22 CO -0.43 -0.19 -0.00 0.58 0.09 0.00 0.00 178.44 178.49 1sb0 h VAL 23 N -0.25 0.68 -0.59 1.22 2.07 0.14 0.83 116.25 120.35 1sb0 h VAL 23 Ca 0.03 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1sb0 h VAL 23 Cb 0.28 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1sb0 h VAL 23 CO -0.10 0.02 0.35 1.56 0.02 0.00 0.00 177.57 179.43 1sb0 h GLN 24 N 0.10 0.67 -0.59 1.57 1.08 -0.51 0.33 115.11 117.76 1sb0 h GLN 24 Ca 0.21 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1sb0 h GLN 24 Cb 0.29 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1sb0 h GLN 24 CO -0.34 0.44 0.27 0.00 -0.95 0.00 0.00 178.83 178.25 1sb0 h ALA 25 N 1.27 0.76 -0.56 3.87 0.00 0.20 -0.78 119.26 124.02 1sb0 h ALA 25 Ca 0.24 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1sb0 h ALA 25 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1sb0 h ALA 25 CO -0.11 0.33 -0.05 0.82 0.00 0.00 0.00 179.25 180.24 1sb0 h ILE 26 N 0.80 1.26 -0.71 0.00 2.04 -0.52 -3.44 117.51 116.94 1sb0 h ILE 26 Ca 0.20 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1sb0 h ILE 26 Cb 0.13 0.88 -0.19 0.00 -0.74 0.00 0.00 36.82 36.91 1sb0 h ILE 26 CO -0.02 0.42 -0.29 0.12 0.00 0.00 0.00 178.15 178.38 1sb0 s PHE 27 N -4.94 -1.28 -0.39 1.37 5.36 0.11 -5.03 117.98 113.19 1sb0 s PHE 27 Ca -0.11 0.44 -0.28 0.00 -0.96 0.00 0.00 56.93 56.02 1sb0 s PHE 27 Cb 0.14 0.23 -0.08 0.00 -0.34 0.00 0.00 43.02 42.97 1sb0 s PHE 27 CO 0.85 -0.81 2.33 -2.30 -1.46 0.00 0.00 175.22 173.83 1sb0 n PRO 28 N 4.66 1.35 -2.49 10.12 -0.02 -0.34 -4.06 135.00 144.22 1sb0 n PRO 28 Ca 0.08 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 1sb0 n PRO 28 Cb 0.58 -3.11 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 1sb0 n PRO 28 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sb0 s THR 29 N 9.80 4.36 0.14 3.45 2.01 -1.26 -4.96 115.64 129.17 1sb0 s THR 29 Ca 1.03 1.65 -0.28 0.00 0.31 0.00 0.00 61.69 64.41 1sb0 s THR 29 Cb -0.40 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 1sb0 s THR 29 CO 0.34 -0.08 1.58 -0.65 -0.69 0.00 0.00 174.62 175.13 1sb0 h PRO 30 N 7.73 -0.38 -3.97 4.92 0.11 -2.03 -3.42 132.00 134.97 1sb0 h PRO 30 Ca -0.29 0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.42 1sb0 h PRO 30 Cb 1.12 0.09 -0.35 0.00 0.11 0.00 0.00 31.00 31.97 1sb0 h PRO 30 CO 0.93 -0.26 -0.77 -0.51 -0.21 0.00 0.00 178.00 177.18 1sb0 s ASP 31 N -4.98 1.16 0.33 -2.05 1.01 -1.26 -5.05 116.67 105.84 1sb0 s ASP 31 Ca -0.15 -0.13 0.11 0.00 0.71 0.00 0.00 52.55 53.09 1sb0 s ASP 31 Cb 0.11 -0.47 1.01 0.00 1.01 0.00 0.00 42.92 44.57 1sb0 s ASP 31 CO 0.65 -0.09 1.61 -0.65 0.21 0.00 0.00 175.17 176.90 1sb0 h PRO 32 N 7.48 0.12 -1.08 8.23 0.11 -2.04 0.85 132.00 145.67 1sb0 h PRO 32 Ca -0.33 -0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.06 1sb0 h PRO 32 Cb 1.15 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 1sb0 h PRO 32 CO 0.42 0.08 0.71 0.00 -0.21 0.00 0.00 178.00 179.00 1sb0 h ALA 33 N 1.92 2.41 -0.44 -0.75 0.00 -1.99 0.18 119.26 120.59 1sb0 h ALA 33 Ca 0.70 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.79 1sb0 h ALA 33 Cb 1.63 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1sb0 h ALA 33 CO -0.75 -0.82 0.35 0.00 0.00 0.00 0.00 179.25 178.04 1sb0 h ALA 34 N 1.59 2.30 -0.27 0.00 0.00 -1.25 -0.58 119.26 121.04 1sb0 h ALA 34 Ca 0.61 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.58 1sb0 h ALA 34 Cb 1.71 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1sb0 h ALA 34 CO -0.26 -0.58 0.35 -0.07 0.00 0.00 0.00 179.25 178.68 1sb0 h LEU 35 N 0.00 0.00 -0.41 0.00 3.38 -1.12 0.23 115.31 117.39 1sb0 h LEU 35 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1sb0 h LEU 35 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1sb0 h LEU 35 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1sb0 n LYS 36 N -3.61 0.12 -3.09 1.13 5.02 -0.23 -4.12 118.16 113.38 1sb0 n LYS 36 Ca 0.04 0.35 -0.37 0.00 -2.02 0.00 0.00 58.31 56.31 1sb0 n LYS 36 Cb 0.49 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1sb0 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sb0 s ASP 37 N -3.76 7.12 0.32 4.39 -1.08 0.07 -4.92 116.67 118.80 1sb0 s ASP 37 Ca 0.06 1.45 0.07 0.00 -0.52 0.00 0.00 52.55 53.61 1sb0 s ASP 37 Cb 0.10 -2.43 0.79 0.00 -1.46 0.00 0.00 42.92 39.91 1sb0 s ASP 37 CO 0.35 0.08 1.78 0.03 0.52 0.00 0.00 175.17 177.93 1sb0 h ARG 38 N 3.64 0.70 0.67 4.34 2.47 -1.88 0.14 114.38 124.45 1sb0 h ARG 38 Ca -0.48 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.17 1sb0 h ARG 38 Cb 1.20 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1sb0 h ARG 38 CO 0.65 0.46 -0.37 -0.09 0.56 0.00 0.00 179.97 181.18 1sb0 h ARG 39 N 0.72 -0.93 -0.86 0.04 1.12 -1.93 -2.70 114.38 109.84 1sb0 h ARG 39 Ca 0.58 0.06 0.01 0.00 -1.11 0.00 0.00 59.98 59.52 1sb0 h ARG 39 Cb 0.96 0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 31.09 1sb0 h ARG 39 CO -0.37 -0.62 0.57 0.52 -3.11 0.00 0.00 179.97 176.96 1sb0 h MET 40 N -0.96 1.13 -1.03 0.20 2.86 -1.48 -1.64 114.93 114.01 1sb0 h MET 40 Ca -0.09 -0.07 0.26 0.00 -2.06 0.00 0.00 59.70 57.75 1sb0 h MET 40 Cb 0.76 -0.25 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 1sb0 h MET 40 CO 0.11 0.75 0.67 1.49 1.06 0.00 0.00 176.91 180.99 1sb0 h GLU 41 N 1.16 0.37 -0.28 1.72 4.81 -0.56 0.17 114.58 121.97 1sb0 h GLU 41 Ca 0.31 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1sb0 h GLU 41 Cb -0.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1sb0 h GLU 41 CO -0.07 0.24 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.51 1sb0 h ASN 42 N 0.38 0.51 -0.32 1.04 2.35 -0.98 0.17 115.58 118.74 1sb0 h ASN 42 Ca 0.58 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1sb0 h ASN 42 Cb 1.49 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 1sb0 h ASN 42 CO -0.27 0.73 0.13 -0.07 -1.65 0.00 0.00 177.43 176.30 1sb0 h LEU 43 N 0.28 0.44 -0.27 1.61 4.07 -0.96 0.42 115.31 120.91 1sb0 h LEU 43 Ca 0.07 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.93 1sb0 h LEU 43 Cb 0.49 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.06 1sb0 h LEU 43 CO 0.02 0.49 -0.10 0.58 -1.08 0.00 0.00 178.44 178.34 1sb0 h VAL 44 N 0.36 0.65 -0.06 1.22 2.07 -0.71 0.80 116.25 120.58 1sb0 h VAL 44 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 44 Cb 0.18 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1sb0 h VAL 44 CO -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.55 1sb0 h ALA 45 N 1.20 0.02 -0.31 1.67 0.00 -0.35 0.20 119.26 121.69 1sb0 h ALA 45 Ca 0.14 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1sb0 h ALA 45 Cb 0.26 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1sb0 h ALA 45 CO -0.31 -0.51 -0.17 -0.92 0.00 0.00 0.00 179.25 177.35 1sb0 h TYR 46 N -0.03 -0.41 -0.20 0.00 3.20 -0.60 0.59 116.97 119.52 1sb0 h TYR 46 Ca 0.04 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1sb0 h TYR 46 Cb 0.08 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1sb0 h TYR 46 CO -0.14 -0.24 0.12 0.00 -1.64 0.00 0.00 178.16 176.26 1sb0 h ALA 47 N 1.09 0.25 -0.06 1.82 0.00 -0.46 0.42 119.26 122.33 1sb0 h ALA 47 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 47 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1sb0 h ALA 47 CO -0.39 -0.23 -0.17 0.87 0.00 0.00 0.00 179.25 179.33 1sb0 h LYS 48 N 0.23 -0.23 0.18 0.00 1.57 -0.27 0.15 116.57 118.20 1sb0 h LYS 48 Ca 0.07 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1sb0 h LYS 48 Cb 0.03 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1sb0 h LYS 48 CO -0.01 -0.16 -0.50 -0.22 -0.57 0.00 0.00 179.45 177.99 1sb0 h LYS 49 N -0.24 -0.74 -0.25 3.15 3.64 -0.70 0.15 116.57 121.57 1sb0 h LYS 49 Ca 0.07 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1sb0 h LYS 49 Cb 0.34 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1sb0 h LYS 49 CO -0.20 -0.50 0.08 -0.24 -2.27 0.00 0.00 179.45 176.33 1sb0 h VAL 50 N -0.77 1.19 -0.81 2.00 3.04 -0.72 0.88 116.25 121.06 1sb0 h VAL 50 Ca -0.01 -0.59 0.05 0.00 -1.01 0.00 0.00 66.70 65.14 1sb0 h VAL 50 Cb 0.76 1.11 -0.05 0.00 -2.01 0.00 0.00 31.29 31.10 1sb0 h VAL 50 CO -0.24 0.19 0.50 -0.08 -1.01 0.00 0.00 177.57 176.94 1sb0 h GLU 51 N 0.24 0.92 -0.06 4.17 4.22 -0.68 0.28 114.58 123.67 1sb0 h GLU 51 Ca 0.08 -0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.50 1sb0 h GLU 51 Cb 0.22 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1sb0 h GLU 51 CO -0.00 0.61 -0.34 0.78 -2.18 0.00 0.00 179.01 177.87 1sb0 h GLY 52 N 0.95 -0.55 0.13 1.92 0.00 -0.06 0.21 103.07 105.67 1sb0 h GLY 52 Ca 0.34 0.42 0.11 0.00 0.00 0.00 0.00 47.33 48.20 1sb0 h GLY 52 CO -0.15 -0.23 0.05 -1.80 0.00 0.00 0.00 176.54 174.42 1sb0 h ASP 53 N -0.46 -0.14 -0.21 0.19 3.58 0.09 0.82 116.42 120.30 1sb0 h ASP 53 Ca 0.07 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1sb0 h ASP 53 Cb 0.57 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1sb0 h ASP 53 CO -0.32 -0.05 0.12 0.24 -2.88 0.00 0.00 179.24 176.36 1sb0 h MET 54 N 0.17 0.28 -1.00 0.28 2.86 -0.57 0.11 114.93 117.06 1sb0 h MET 54 Ca 0.29 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.98 1sb0 h MET 54 Cb 0.45 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 1sb0 h MET 54 CO -0.43 0.23 0.65 -0.92 1.06 0.00 0.00 176.91 177.50 1sb0 h TYR 55 N 0.25 1.20 -0.12 -0.22 3.20 0.56 0.25 116.97 122.09 1sb0 h TYR 55 Ca 0.07 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 1sb0 h TYR 55 Cb 0.03 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 37.90 1sb0 h TYR 55 CO -0.05 0.61 -0.11 0.93 -1.64 0.00 0.00 178.16 177.90 1sb0 h GLU 56 N 1.16 0.28 0.00 1.82 4.39 -0.72 -3.35 114.58 118.17 1sb0 h GLU 56 Ca 0.44 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.85 1sb0 h GLU 56 Cb 0.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1sb0 h GLU 56 CO -0.18 0.68 -0.64 1.03 -1.16 0.00 0.00 179.01 178.75 1sb0 h SER 57 N -0.11 0.00 -3.02 1.42 0.87 0.02 -3.45 113.55 109.28 1sb0 h SER 57 Ca 0.02 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.01 1sb0 h SER 57 Cb 0.63 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1sb0 h SER 57 CO 0.03 0.64 0.95 0.00 -0.53 0.00 0.00 176.83 177.92 1sb0 s ALA 58 N -3.54 3.49 -0.85 6.23 0.00 0.82 -4.91 121.76 123.00 1sb0 s ALA 58 Ca -0.01 0.28 0.27 0.00 0.00 0.00 0.00 51.96 52.50 1sb0 s ALA 58 Cb 0.12 -3.71 0.84 0.00 0.00 0.00 0.00 23.12 20.38 1sb0 s ALA 58 CO 0.76 -1.52 1.71 0.09 0.00 0.00 0.00 175.76 176.80 1sb0 n ASN 59 N 7.22 0.46 -3.79 0.00 3.02 -1.26 -4.85 115.26 116.07 1sb0 n ASN 59 Ca 0.15 0.36 -0.10 0.00 -0.03 0.00 0.00 54.58 54.96 1sb0 n ASN 59 Cb 0.46 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sb0 s SER 60 N -3.72 -0.07 0.22 6.41 0.15 -1.26 -4.93 113.70 110.50 1sb0 s SER 60 Ca 0.11 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.11 1sb0 s SER 60 Cb 0.16 0.44 0.20 0.00 -1.71 0.00 0.00 66.02 65.10 1sb0 s SER 60 CO 0.61 -0.86 1.89 -0.09 1.20 0.00 0.00 173.24 176.00 1sb0 h ARG 61 N 2.49 1.09 -0.46 5.44 2.43 -1.93 0.34 114.38 123.79 1sb0 h ARG 61 Ca -0.33 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.85 1sb0 h ARG 61 Cb 1.23 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 30.48 1sb0 h ARG 61 CO 0.48 0.72 0.09 0.38 -1.51 0.00 0.00 179.97 180.14 1sb0 h ASP 62 N 1.12 0.00 0.26 -3.80 3.04 -1.99 0.30 116.42 115.36 1sb0 h ASP 62 Ca 0.31 0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 54.17 1sb0 h ASP 62 Cb -0.12 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1sb0 h ASP 62 CO -0.07 0.03 -0.13 -0.08 -2.04 0.00 0.00 179.24 176.96 1sb0 h GLU 63 N 0.22 -0.34 -0.61 4.15 4.81 -1.73 0.60 114.58 121.69 1sb0 h GLU 63 Ca 0.23 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.60 1sb0 h GLU 63 Cb 0.29 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.63 1sb0 h GLU 63 CO -0.30 -0.22 -0.22 -0.92 -0.73 0.00 0.00 179.01 176.62 1sb0 h TYR 64 N -0.36 -0.52 -0.11 0.92 3.20 -0.47 0.18 116.97 119.81 1sb0 h TYR 64 Ca -0.04 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1sb0 h TYR 64 Cb 0.27 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1sb0 h TYR 64 CO -0.06 -0.31 0.04 1.88 -1.64 0.00 0.00 178.16 178.07 1sb0 h TYR 65 N -0.06 0.17 0.35 -3.82 0.05 -0.83 -2.59 116.97 110.24 1sb0 h TYR 65 Ca 0.28 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 1sb0 h TYR 65 Cb 0.50 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.16 1sb0 h TYR 65 CO -0.55 0.29 -0.47 1.25 -1.05 0.00 0.00 178.16 177.62 1sb0 h HIS 66 N 0.01 -1.33 -0.00 4.88 2.76 0.75 0.59 115.15 122.80 1sb0 h HIS 66 Ca 0.04 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.15 1sb0 h HIS 66 Cb 0.19 0.53 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1sb0 h HIS 66 CO -0.01 -0.60 -0.34 1.37 -1.30 0.00 0.00 177.93 177.05 1sb0 h LEU 67 N -0.85 0.00 0.04 0.26 8.10 -0.82 0.16 115.31 122.20 1sb0 h LEU 67 Ca -0.04 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.95 1sb0 h LEU 67 Cb 0.77 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.99 1sb0 h LEU 67 CO -0.12 0.35 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.46 1sb0 h LEU 68 N 0.00 -0.05 -0.28 0.17 3.38 -1.31 0.10 115.31 117.33 1sb0 h LEU 68 Ca -0.00 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1sb0 h LEU 68 Cb 0.61 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1sb0 h LEU 68 CO 0.04 0.21 0.04 0.00 0.09 0.00 0.00 178.44 178.83 1sb0 h ALA 69 N 0.64 0.28 -0.55 1.53 0.00 -0.44 -0.29 119.26 120.43 1sb0 h ALA 69 Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1sb0 h ALA 69 Cb 0.28 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1sb0 h ALA 69 CO 0.01 -0.38 0.21 1.49 0.00 0.00 0.00 179.25 180.58 1sb0 h GLU 70 N 0.13 0.38 0.12 0.00 4.81 -0.68 0.11 114.58 119.46 1sb0 h GLU 70 Ca 0.13 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1sb0 h GLU 70 Cb 0.15 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1sb0 h GLU 70 CO -0.19 0.25 -0.17 -0.22 -0.73 0.00 0.00 179.01 177.95 1sb0 h LYS 71 N 0.39 -0.33 -0.22 1.92 1.63 -0.03 0.16 116.57 120.10 1sb0 h LYS 71 Ca 0.27 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.15 1sb0 h LYS 71 Cb 0.29 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.93 1sb0 h LYS 71 CO -0.26 -0.22 -0.25 0.82 -3.45 0.00 0.00 179.45 176.09 1sb0 h ILE 72 N -0.34 0.39 -0.31 2.00 2.04 -0.66 0.43 117.51 121.05 1sb0 h ILE 72 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 72 Cb 0.35 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1sb0 h ILE 72 CO -0.08 0.00 -0.16 0.22 0.00 0.00 0.00 178.15 178.14 1sb0 h TYR 73 N -0.26 -0.39 -0.09 1.37 5.03 -0.45 0.69 116.97 122.87 1sb0 h TYR 73 Ca 0.13 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.51 1sb0 h TYR 73 Cb 0.46 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.93 1sb0 h TYR 73 CO -0.39 -0.23 -0.11 0.87 -1.32 0.00 0.00 178.16 176.98 1sb0 h LYS 74 N -0.11 -0.14 0.04 1.82 1.79 -0.29 0.19 116.57 119.87 1sb0 h LYS 74 Ca 0.16 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1sb0 h LYS 74 Cb 0.36 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 1sb0 h LYS 74 CO -0.39 -0.09 -0.34 0.82 -1.08 0.00 0.00 179.45 178.37 1sb0 h ILE 75 N -0.14 0.27 -0.48 1.86 2.04 0.01 0.22 117.51 121.29 1sb0 h ILE 75 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1sb0 h ILE 75 Cb 0.24 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1sb0 h ILE 75 CO -0.17 0.00 0.31 1.56 0.00 0.00 0.00 178.15 179.85 1sb0 h GLN 76 N -0.52 0.63 0.11 2.37 1.08 -0.67 0.20 115.11 118.31 1sb0 h GLN 76 Ca 0.05 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1sb0 h GLN 76 Cb 0.59 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1sb0 h GLN 76 CO -0.25 0.42 -0.05 0.87 -0.95 0.00 0.00 178.83 178.87 1sb0 h LYS 77 N 0.65 -0.14 0.20 1.46 1.79 -0.06 -2.50 116.57 117.97 1sb0 h LYS 77 Ca 0.17 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1sb0 h LYS 77 Cb -0.06 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1sb0 h LYS 77 CO -0.04 0.32 -0.10 0.93 -1.08 0.00 0.00 179.45 179.48 1sb0 h GLU 78 N -0.67 -0.26 0.00 3.15 4.39 -0.34 -3.33 114.58 117.52 1sb0 h GLU 78 Ca -0.01 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1sb0 h GLU 78 Cb 0.52 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1sb0 h GLU 78 CO 0.02 0.14 -0.87 -0.07 -1.16 0.00 0.00 179.01 177.07 1sb0 h LEU 79 N -0.82 0.00 0.00 1.33 4.07 -0.79 -3.46 115.31 115.64 1sb0 h LEU 79 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1sb0 h LEU 79 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1sb0 h LEU 79 CO 0.05 0.85 0.00 1.21 -1.08 0.00 0.00 178.44 179.46 1sb0 n GLU 80 N -3.30 0.00 -0.63 1.13 0.00 -0.94 -3.86 120.64 113.04 1sb0 n GLU 80 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 1sb0 n GLU 80 Cb 0.88 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.28 1sb0 n GLU 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1sb0 n GLU 81 N 0.00 1.66 0.00 5.31 0.00 -1.26 -4.57 120.64 121.78 1sb0 n GLU 81 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 57.16 56.03 1sb0 n GLU 81 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 31.44 29.22 1sb0 n GLU 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1sb0 h LYS 82 N 5.86 -0.03 0.00 3.44 1.57 -1.77 -0.92 116.57 124.73 1sb0 h LYS 82 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1sb0 h LYS 82 Cb 0.33 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1sb0 h LYS 82 CO 1.10 -0.02 -0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1sb0 h ARG 83 N -0.24 0.00 -0.00 3.15 2.47 -1.80 0.21 114.38 118.17 1sb0 h ARG 83 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sb0 h ARG 83 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1sb0 h ARG 83 CO 0.00 0.00 -0.31 0.54 0.56 0.00 0.00 179.97 180.77 1sb0 n ARG 84 N -4.04 0.21 0.00 0.04 1.74 -1.26 -4.86 116.66 108.49 1sb0 n ARG 84 Ca -0.03 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1sb0 n ARG 84 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1sb0 n ARG 84 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1sb0 n SER 85 N -1.31 0.00 -3.57 0.55 2.88 0.56 -5.03 113.62 107.71 1sb0 n SER 85 Ca 0.08 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.21 1sb0 n SER 85 Cb 0.33 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 1sb0 n SER 85 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1sb0 n ARG 86 N -1.35 3.27 0.00 -1.46 1.74 -0.14 -4.92 116.66 113.80 1sb0 n ARG 86 Ca 0.00 -2.52 0.00 0.00 -0.77 0.00 0.00 57.85 54.56 1sb0 n ARG 86 Cb 0.00 -3.07 0.00 0.00 -1.02 0.00 0.00 32.46 28.37 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00