#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 0.01 1.61 0.31 -1.26 -0.67 118.33 118.33 1sb0 n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sb0 n VAL 2 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1sb0 n VAL 2 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1sb0 n ARG 3 N 0.00 0.00 -0.07 5.55 0.63 -1.26 -4.94 116.66 116.57 1sb0 n ARG 3 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1sb0 n ARG 3 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 1sb0 n ARG 3 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1sb0 n LYS 4 N -2.56 1.33 0.00 -0.14 4.76 -1.24 -4.94 118.16 115.37 1sb0 n LYS 4 Ca 0.00 -0.46 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 1sb0 n LYS 4 Cb 0.00 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 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 0.64 1.92 0.40 0.72 0.00 0.15 -4.32 105.19 104.71 1sb0 n GLY 5 Ca 0.04 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 0.03 -1.21 1.61 5.08 -1.90 0.79 115.95 120.34 1sb0 h TRP 6 Ca 0.00 0.00 0.40 0.00 1.08 0.00 0.00 58.89 60.37 1sb0 h TRP 6 Cb 0.00 -0.01 -0.13 0.00 -3.00 0.00 0.00 29.16 26.02 1sb0 h TRP 6 CO 0.00 0.01 0.76 0.45 -1.28 0.00 0.00 178.44 178.38 1sb0 h HIS 7 N 0.02 0.63 -0.58 0.12 3.86 -1.81 0.13 115.15 117.51 1sb0 h HIS 7 Ca 0.29 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.61 1sb0 h HIS 7 Cb 1.14 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 1sb0 h HIS 7 CO -0.00 -0.21 0.39 1.05 0.86 0.00 0.00 177.93 180.02 1sb0 h GLU 8 N 0.14 0.47 0.01 2.45 4.11 -1.03 -2.45 114.58 118.29 1sb0 h GLU 8 Ca 0.79 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 60.19 1sb0 h GLU 8 Cb 2.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.46 1sb0 h GLU 8 CO -0.47 0.31 -0.01 0.45 0.07 0.00 0.00 179.01 179.36 1sb0 h HIS 9 N 0.49 -0.01 -1.55 2.06 3.86 -0.94 -3.40 115.15 115.65 1sb0 h HIS 9 Ca 0.26 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.80 1sb0 h HIS 9 Cb 0.39 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.74 1sb0 h HIS 9 CO -0.00 0.70 1.49 0.08 0.86 0.00 0.00 177.93 181.06 1sb0 s VAL 10 N -3.20 4.36 0.72 2.45 1.01 -0.92 -4.98 120.40 119.84 1sb0 s VAL 10 Ca -0.17 -1.57 -0.11 0.00 0.00 0.00 0.00 61.98 60.13 1sb0 s VAL 10 Cb -0.01 -5.00 0.02 0.00 0.00 0.00 0.00 36.38 31.40 1sb0 s VAL 10 CO 0.66 -1.80 1.07 0.42 0.00 0.00 0.00 175.10 175.45 1sb0 s THR 11 N 3.64 3.73 0.34 3.92 -4.23 -1.26 -4.78 115.64 117.00 1sb0 s THR 11 Ca 0.44 0.56 0.11 0.00 -1.18 0.00 0.00 61.69 61.62 1sb0 s THR 11 Cb -0.01 -3.36 0.33 0.00 1.34 0.00 0.00 72.50 70.80 1sb0 s THR 11 CO -0.04 -0.73 1.78 -0.61 -0.54 0.00 0.00 174.62 174.48 1sb0 h GLN 12 N -0.79 0.59 -0.27 3.99 5.75 -1.93 -0.45 115.11 122.01 1sb0 h GLN 12 Ca -0.45 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1sb0 h GLN 12 Cb 1.23 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1sb0 h GLN 12 CO 0.59 0.39 0.17 -0.44 -2.65 0.00 0.00 178.83 176.89 1sb0 h ASP 13 N 0.61 0.31 -0.34 -0.69 5.19 -1.98 0.30 116.42 119.82 1sb0 h ASP 13 Ca 0.58 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.94 1sb0 h ASP 13 Cb 1.11 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1sb0 h ASP 13 CO -0.35 0.25 0.11 0.25 -3.12 0.00 0.00 179.24 176.38 1sb0 h LEU 14 N 0.35 0.48 -0.60 1.55 5.85 -1.50 -0.23 115.31 121.20 1sb0 h LEU 14 Ca 0.10 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.74 1sb0 h LEU 14 Cb -0.02 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.80 1sb0 h LEU 14 CO -0.02 0.55 0.11 0.03 -0.34 0.00 0.00 178.44 178.76 1sb0 h ARG 15 N 0.39 0.22 -0.31 1.25 3.08 -0.76 0.17 114.38 118.42 1sb0 h ARG 15 Ca 0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1sb0 h ARG 15 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1sb0 h ARG 15 CO -0.01 0.15 0.17 0.77 -1.07 0.00 0.00 179.97 179.98 1sb0 h SER 16 N 0.23 0.40 -0.02 7.04 0.02 0.01 0.16 113.55 121.38 1sb0 h SER 16 Ca 0.32 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1sb0 h SER 16 Cb 0.49 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1sb0 h SER 16 CO -0.43 0.38 -0.28 -0.74 -1.14 0.00 0.00 176.83 174.62 1sb0 h HIS 17 N 0.38 0.51 -0.25 3.45 -0.00 -0.41 0.79 115.15 119.63 1sb0 h HIS 17 Ca 0.11 -0.11 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1sb0 h HIS 17 Cb 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1sb0 h HIS 17 CO -0.03 0.69 0.04 -0.07 -0.00 0.00 0.00 177.93 178.56 1sb0 h LEU 18 N 0.40 0.39 -0.57 0.26 3.38 -0.31 0.10 115.31 118.96 1sb0 h LEU 18 Ca 0.06 -0.26 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1sb0 h LEU 18 Cb 0.70 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1sb0 h LEU 18 CO 0.05 0.56 0.07 0.58 0.09 0.00 0.00 178.44 179.79 1sb0 h VAL 19 N 0.21 0.60 -0.29 1.22 2.07 -0.46 0.13 116.25 119.74 1sb0 h VAL 19 Ca 0.07 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1sb0 h VAL 19 Cb 0.33 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1sb0 h VAL 19 CO 0.01 0.03 -0.12 -0.74 0.02 0.00 0.00 177.57 176.77 1sb0 h HIS 20 N 0.19 -0.29 -0.98 1.57 -0.00 -0.39 -1.03 115.15 114.22 1sb0 h HIS 20 Ca 0.30 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.77 1sb0 h HIS 20 Cb 0.45 0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 27.97 1sb0 h HIS 20 CO -0.29 -0.19 0.63 0.87 -0.00 0.00 0.00 177.93 178.95 1sb0 h LYS 21 N -0.07 1.09 -0.00 5.26 1.79 0.79 0.17 116.57 125.59 1sb0 h LYS 21 Ca 0.15 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1sb0 h LYS 21 Cb 0.30 -0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 30.66 1sb0 h LYS 21 CO -0.34 0.72 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.42 1sb0 h LEU 22 N 1.12 -0.77 -0.02 2.94 3.38 0.14 0.15 115.31 122.25 1sb0 h LEU 22 Ca 0.43 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.54 1sb0 h LEU 22 Cb 0.21 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1sb0 h LEU 22 CO -0.19 -0.33 -0.30 0.58 0.09 0.00 0.00 178.44 178.30 1sb0 h VAL 23 N -0.40 0.34 -0.33 1.22 2.07 -0.00 -1.59 116.25 117.57 1sb0 h VAL 23 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 23 Cb 0.48 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1sb0 h VAL 23 CO -0.23 0.00 -0.03 1.56 0.02 0.00 0.00 177.57 178.89 1sb0 h GLN 24 N -0.43 0.06 -0.78 1.57 1.08 -0.34 0.53 115.11 116.79 1sb0 h GLN 24 Ca 0.07 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1sb0 h GLN 24 Cb 0.53 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 1sb0 h GLN 24 CO -0.26 0.04 0.43 0.00 -0.95 0.00 0.00 178.83 178.09 1sb0 h ALA 25 N 1.30 1.00 0.04 3.87 0.00 -0.47 -1.51 119.26 123.50 1sb0 h ALA 25 Ca 0.16 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1sb0 h ALA 25 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sb0 h ALA 25 CO -0.29 0.51 -1.01 0.82 0.00 0.00 0.00 179.25 179.27 1sb0 h ILE 26 N 1.08 1.55 -1.31 0.00 2.04 -0.81 -3.44 117.51 116.61 1sb0 h ILE 26 Ca 0.27 -2.94 -0.15 0.00 1.00 0.00 0.00 64.86 63.04 1sb0 h ILE 26 Cb 0.03 2.70 -0.23 0.00 -0.74 0.00 0.00 36.82 38.58 1sb0 h ILE 26 CO -0.04 0.85 -0.52 0.12 0.00 0.00 0.00 178.15 178.56 1sb0 s PHE 27 N -2.93 -1.28 -0.57 1.37 2.19 0.18 -5.02 117.98 111.93 1sb0 s PHE 27 Ca -0.02 -0.01 -0.26 0.00 0.33 0.00 0.00 56.93 56.96 1sb0 s PHE 27 Cb 0.09 0.08 -0.05 0.00 -1.31 0.00 0.00 43.02 41.83 1sb0 s PHE 27 CO 0.84 -1.10 2.18 -1.25 1.83 0.00 0.00 175.22 177.72 1sb0 s PRO 28 N 1.81 2.29 -0.09 10.12 0.04 -0.59 -3.75 135.00 144.83 1sb0 s PRO 28 Ca 0.16 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 1sb0 s PRO 28 Cb -0.08 -4.53 -0.05 0.00 0.04 0.00 0.00 34.50 29.88 1sb0 s PRO 28 CO -0.08 -3.13 0.39 0.99 0.04 0.00 0.00 177.00 175.21 1sb0 s THR 29 N 11.05 5.18 0.06 1.26 2.01 -1.26 -5.02 115.64 128.92 1sb0 s THR 29 Ca 0.84 0.77 -0.23 0.00 0.31 0.00 0.00 61.69 63.38 1sb0 s THR 29 Cb -0.15 -3.71 -0.16 0.00 0.01 0.00 0.00 72.50 68.49 1sb0 s THR 29 CO 0.22 0.44 1.59 1.55 -0.69 0.00 0.00 174.62 177.73 1sb0 h PRO 30 N 6.00 0.04 -3.44 4.92 0.13 -1.99 -3.46 132.00 134.19 1sb0 h PRO 30 Ca -0.45 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1sb0 h PRO 30 Cb 1.19 -0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 1sb0 h PRO 30 CO 0.70 0.18 -0.55 0.34 -0.23 0.00 0.00 178.00 178.44 1sb0 s ASP 31 N -5.38 -0.10 0.32 1.44 -1.08 -1.26 -5.05 116.67 105.56 1sb0 s ASP 31 Ca -0.14 0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.13 1sb0 s ASP 31 Cb 0.05 0.26 0.90 0.00 -1.46 0.00 0.00 42.92 42.67 1sb0 s ASP 31 CO 0.67 -0.11 1.60 -0.65 0.52 0.00 0.00 175.17 177.20 1sb0 h PRO 32 N 5.62 0.08 -0.92 4.34 0.11 -2.03 0.13 132.00 139.33 1sb0 h PRO 32 Ca -0.26 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.02 1sb0 h PRO 32 Cb 1.20 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1sb0 h PRO 32 CO 0.42 0.06 0.59 0.00 -0.21 0.00 0.00 178.00 178.86 1sb0 h ALA 33 N 1.92 1.93 -0.07 -0.75 0.00 -2.01 0.02 119.26 120.30 1sb0 h ALA 33 Ca 0.65 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.61 1sb0 h ALA 33 Cb 1.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1sb0 h ALA 33 CO -0.79 -0.21 0.08 0.00 0.00 0.00 0.00 179.25 178.34 1sb0 h ALA 34 N 1.61 1.60 0.00 0.00 0.00 -1.16 -1.52 119.26 119.80 1sb0 h ALA 34 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1sb0 h ALA 34 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sb0 h ALA 34 CO -0.23 -0.11 0.00 -0.07 0.00 0.00 0.00 179.25 178.84 1sb0 h LEU 35 N 0.00 0.00 -1.13 0.00 3.38 -1.07 -1.54 115.31 114.94 1sb0 h LEU 35 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sb0 h LEU 35 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 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 -2.39 0.17 -1.98 1.13 5.02 -0.57 -3.19 118.16 116.35 1sb0 n LYS 36 Ca -0.01 0.54 -0.37 0.00 -2.02 0.00 0.00 58.31 56.45 1sb0 n LYS 36 Cb 0.05 -1.93 0.03 0.00 -0.02 0.00 0.00 35.03 33.15 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 -4.18 5.42 0.10 4.39 -1.08 -0.58 -4.83 116.67 115.91 1sb0 s ASP 37 Ca 0.01 2.51 -0.21 0.00 -0.52 0.00 0.00 52.55 54.34 1sb0 s ASP 37 Cb 0.08 -2.61 -0.10 0.00 -1.46 0.00 0.00 42.92 38.82 1sb0 s ASP 37 CO 0.29 -1.45 1.73 0.03 0.52 0.00 0.00 175.17 176.29 1sb0 h ARG 38 N 1.35 0.17 -0.44 4.34 2.47 -1.91 0.16 114.38 120.51 1sb0 h ARG 38 Ca -0.50 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.26 1sb0 h ARG 38 Cb 1.29 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.52 1sb0 h ARG 38 CO 0.57 0.15 0.13 0.00 0.56 0.00 0.00 179.97 181.39 1sb0 h ARG 39 N 0.14 0.28 -0.09 0.04 3.08 -1.93 -0.84 114.38 115.06 1sb0 h ARG 39 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1sb0 h ARG 39 Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1sb0 h ARG 39 CO -0.01 0.19 0.03 0.52 -1.07 0.00 0.00 179.97 179.62 1sb0 h MET 40 N 0.29 0.13 -0.75 0.04 2.86 -1.73 0.24 114.93 116.02 1sb0 h MET 40 Ca 0.21 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.95 1sb0 h MET 40 Cb 0.22 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.78 1sb0 h MET 40 CO -0.23 0.29 0.33 1.49 1.06 0.00 0.00 176.91 179.85 1sb0 h GLU 41 N -0.05 0.50 -0.04 1.72 4.57 -0.34 0.42 114.58 121.35 1sb0 h GLU 41 Ca 0.03 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sb0 h GLU 41 Cb 0.21 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1sb0 h GLU 41 CO -0.00 0.33 0.02 -0.91 -1.18 0.00 0.00 179.01 177.27 1sb0 h ASN 42 N 0.51 0.05 -0.53 1.04 2.35 -0.83 0.52 115.58 118.69 1sb0 h ASN 42 Ca 0.40 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1sb0 h ASN 42 Cb 0.55 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1sb0 h ASN 42 CO -0.35 0.12 0.20 0.25 -1.65 0.00 0.00 177.43 176.00 1sb0 h LEU 43 N -0.02 0.77 0.02 1.61 5.85 0.28 0.04 115.31 123.88 1sb0 h LEU 43 Ca 0.02 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1sb0 h LEU 43 Cb 0.08 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1sb0 h LEU 43 CO -0.00 0.71 -0.01 0.58 -0.34 0.00 0.00 178.44 179.38 1sb0 h VAL 44 N 0.83 1.05 -0.27 1.05 2.07 -0.07 0.16 116.25 121.06 1sb0 h VAL 44 Ca 0.19 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1sb0 h VAL 44 Cb 0.20 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1sb0 h VAL 44 CO -0.01 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 1sb0 h ALA 45 N 0.85 0.15 -0.13 1.67 0.00 -0.30 0.15 119.26 121.65 1sb0 h ALA 45 Ca -0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 45 Cb 0.11 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1sb0 h ALA 45 CO 0.01 -0.49 -0.13 -0.92 0.00 0.00 0.00 179.25 177.72 1sb0 h TYR 46 N -0.03 -0.33 -0.32 0.00 3.20 -0.81 -0.28 116.97 118.39 1sb0 h TYR 46 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1sb0 h TYR 46 Cb 0.24 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1sb0 h TYR 46 CO -0.28 -0.19 0.15 0.00 -1.64 0.00 0.00 178.16 176.19 1sb0 h ALA 47 N 0.92 0.39 0.09 1.82 0.00 -0.11 0.10 119.26 122.47 1sb0 h ALA 47 Ca 0.09 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1sb0 h ALA 47 Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1sb0 h ALA 47 CO -0.22 -0.23 -0.25 0.87 0.00 0.00 0.00 179.25 179.42 1sb0 h LYS 48 N 0.32 -0.42 0.01 0.00 1.57 -0.52 0.11 116.57 117.64 1sb0 h LYS 48 Ca 0.14 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1sb0 h LYS 48 Cb 0.06 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1sb0 h LYS 48 CO -0.10 -0.28 -0.40 -0.22 -0.57 0.00 0.00 179.45 177.88 1sb0 h LYS 49 N -0.43 -0.54 -0.40 3.15 3.64 -0.63 0.60 116.57 121.95 1sb0 h LYS 49 Ca 0.04 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1sb0 h LYS 49 Cb 0.47 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1sb0 h LYS 49 CO -0.16 -0.36 0.21 -0.24 -2.27 0.00 0.00 179.45 176.63 1sb0 h VAL 50 N -0.56 1.16 -0.53 2.00 3.04 -0.66 0.54 116.25 121.23 1sb0 h VAL 50 Ca 0.05 -0.43 0.05 0.00 -1.01 0.00 0.00 66.70 65.36 1sb0 h VAL 50 Cb 0.64 0.70 -0.05 0.00 -2.01 0.00 0.00 31.29 30.57 1sb0 h VAL 50 CO -0.30 0.17 0.26 -0.08 -1.01 0.00 0.00 177.57 176.60 1sb0 h GLU 51 N 0.52 0.48 -0.21 4.17 4.22 -0.57 0.54 114.58 123.73 1sb0 h GLU 51 Ca 0.14 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.60 1sb0 h GLU 51 Cb 0.08 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1sb0 h GLU 51 CO -0.02 0.32 -0.12 0.78 -2.18 0.00 0.00 179.01 177.79 1sb0 h GLY 52 N 0.50 0.05 0.28 1.92 0.00 -0.27 0.17 103.07 105.71 1sb0 h GLY 52 Ca 0.24 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.79 1sb0 h GLY 52 CO -0.18 -0.13 -0.08 -1.80 0.00 0.00 0.00 176.54 174.35 1sb0 h ASP 53 N -0.10 -0.32 -0.46 0.19 3.58 -0.13 -0.76 116.42 118.41 1sb0 h ASP 53 Ca 0.12 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1sb0 h ASP 53 Cb 0.28 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1sb0 h ASP 53 CO -0.27 -0.11 0.31 0.24 -2.88 0.00 0.00 179.24 176.52 1sb0 h MET 54 N 0.01 0.61 -0.52 0.28 2.86 -0.48 0.86 114.93 118.56 1sb0 h MET 54 Ca 0.18 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.88 1sb0 h MET 54 Cb 0.27 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.71 1sb0 h MET 54 CO -0.37 0.40 0.06 -0.92 1.06 0.00 0.00 176.91 177.14 1sb0 h TYR 55 N 0.62 0.08 -0.31 -0.22 3.20 0.25 0.19 116.97 120.79 1sb0 h TYR 55 Ca 0.17 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1sb0 h TYR 55 Cb -0.07 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1sb0 h TYR 55 CO -0.05 -0.06 -0.22 0.93 -1.64 0.00 0.00 178.16 177.12 1sb0 h GLU 56 N 0.18 0.69 -0.43 1.82 4.39 -0.89 -3.30 114.58 117.04 1sb0 h GLU 56 Ca 0.26 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 1sb0 h GLU 56 Cb 0.38 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1sb0 h GLU 56 CO -0.38 0.94 -0.20 0.77 -1.16 0.00 0.00 179.01 178.98 1sb0 h SER 57 N 0.44 0.87 -2.99 1.42 0.02 -0.07 -3.44 113.55 109.81 1sb0 h SER 57 Ca 0.06 -0.31 -0.57 0.00 -0.84 0.00 0.00 61.79 60.13 1sb0 h SER 57 Cb 0.78 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 1sb0 h SER 57 CO 0.06 1.05 1.16 0.00 -1.14 0.00 0.00 176.83 177.95 1sb0 s ALA 58 N -4.66 2.93 0.18 3.77 0.00 0.59 -4.92 121.76 119.66 1sb0 s ALA 58 Ca -0.10 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 1sb0 s ALA 58 Cb 0.13 -3.99 0.13 0.00 0.00 0.00 0.00 23.12 19.39 1sb0 s ALA 58 CO 0.85 -2.57 1.62 -2.95 0.00 0.00 0.00 175.76 172.70 1sb0 h ASN 59 N 11.65 -0.81 -2.30 0.00 7.08 -1.90 -3.44 115.58 125.86 1sb0 h ASN 59 Ca -0.30 0.18 -0.58 0.00 -3.08 0.00 0.00 56.30 52.53 1sb0 h ASN 59 Cb 1.13 0.43 -0.14 0.00 -2.08 0.00 0.00 38.32 37.66 1sb0 h ASN 59 CO 1.08 -0.26 -0.71 -0.55 -2.08 0.00 0.00 177.43 174.92 1sb0 s SER 60 N -5.15 3.42 0.33 6.14 0.15 -1.26 -4.88 113.70 112.45 1sb0 s SER 60 Ca -0.14 -1.13 0.05 0.00 0.70 0.00 0.00 55.95 55.42 1sb0 s SER 60 Cb 0.16 -0.28 0.69 0.00 -1.71 0.00 0.00 66.02 64.87 1sb0 s SER 60 CO 0.70 -0.16 1.90 -0.09 1.20 0.00 0.00 173.24 176.80 1sb0 h ARG 61 N 2.18 0.82 -0.09 5.44 2.43 -1.92 0.33 114.38 123.57 1sb0 h ARG 61 Ca -0.41 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.75 1sb0 h ARG 61 Cb 1.25 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1sb0 h ARG 61 CO 0.66 0.54 -0.16 -0.44 -1.51 0.00 0.00 179.97 179.06 1sb0 h ASP 62 N 0.84 -0.49 -0.10 -3.80 3.32 -1.97 0.26 116.42 114.48 1sb0 h ASP 62 Ca 0.41 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.56 1sb0 h ASP 62 Cb 0.43 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1sb0 h ASP 62 CO -0.17 -0.21 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.03 1sb0 h GLU 63 N -0.22 -0.01 -0.31 3.56 4.57 -1.69 -0.55 114.58 119.93 1sb0 h GLU 63 Ca 0.08 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1sb0 h GLU 63 Cb 0.33 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.85 1sb0 h GLU 63 CO -0.22 -0.01 -0.21 -0.92 -1.18 0.00 0.00 179.01 176.48 1sb0 h TYR 64 N -0.01 -0.54 -0.03 0.92 3.20 -0.52 0.22 116.97 120.21 1sb0 h TYR 64 Ca 0.05 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1sb0 h TYR 64 Cb 0.09 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1sb0 h TYR 64 CO -0.16 -0.29 -0.15 1.88 -1.64 0.00 0.00 178.16 177.81 1sb0 h TYR 65 N -0.18 -0.38 0.44 -3.82 0.05 -0.74 -1.87 116.97 110.47 1sb0 h TYR 65 Ca 0.16 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1sb0 h TYR 65 Cb 0.43 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1sb0 h TYR 65 CO -0.40 -0.22 -0.39 1.25 -1.05 0.00 0.00 178.16 177.35 1sb0 h HIS 66 N -0.23 -1.08 0.00 4.88 2.76 0.19 -0.21 115.15 121.45 1sb0 h HIS 66 Ca 0.06 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1sb0 h HIS 66 Cb 0.31 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 1sb0 h HIS 66 CO -0.22 -0.53 -0.19 1.37 -1.30 0.00 0.00 177.93 177.06 1sb0 h LEU 67 N -0.82 0.00 0.33 0.26 8.10 -0.68 0.14 115.31 122.65 1sb0 h LEU 67 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.92 1sb0 h LEU 67 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1sb0 h LEU 67 CO -0.02 0.19 -0.16 -0.07 -4.11 0.00 0.00 178.44 174.27 1sb0 h LEU 68 N 0.00 -0.38 -0.51 0.17 3.38 -1.17 0.12 115.31 116.92 1sb0 h LEU 68 Ca -0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1sb0 h LEU 68 Cb 0.39 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1sb0 h LEU 68 CO 0.03 -0.07 0.17 0.00 0.09 0.00 0.00 178.44 178.65 1sb0 h ALA 69 N -0.14 0.62 -0.18 1.53 0.00 -0.45 0.31 119.26 120.96 1sb0 h ALA 69 Ca -0.05 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1sb0 h ALA 69 Cb 0.49 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1sb0 h ALA 69 CO 0.08 -0.23 -0.08 1.49 0.00 0.00 0.00 179.25 180.51 1sb0 h GLU 70 N 0.34 -0.05 -0.22 0.00 4.81 -0.74 0.31 114.58 119.03 1sb0 h GLU 70 Ca 0.25 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1sb0 h GLU 70 Cb 0.28 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1sb0 h GLU 70 CO -0.26 -0.03 -0.09 -0.22 -0.73 0.00 0.00 179.01 177.67 1sb0 h LYS 71 N -0.05 -0.06 -0.18 1.92 1.63 0.30 0.13 116.57 120.25 1sb0 h LYS 71 Ca 0.09 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 1sb0 h LYS 71 Cb 0.20 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 1sb0 h LYS 71 CO -0.21 -0.04 -0.33 0.82 -3.45 0.00 0.00 179.45 176.24 1sb0 h ILE 72 N -0.06 0.27 -0.32 2.00 2.04 -0.68 0.44 117.51 121.19 1sb0 h ILE 72 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1sb0 h ILE 72 Cb 0.24 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.50 1sb0 h ILE 72 CO -0.26 0.00 -0.33 0.22 0.00 0.00 0.00 178.15 177.78 1sb0 h TYR 73 N -0.37 -0.91 -0.25 1.37 5.03 -0.01 0.12 116.97 121.95 1sb0 h TYR 73 Ca 0.11 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.49 1sb0 h TYR 73 Cb 0.55 0.45 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 1sb0 h TYR 73 CO -0.43 -0.39 0.10 0.87 -1.32 0.00 0.00 178.16 176.99 1sb0 h LYS 74 N -0.29 0.22 -0.32 1.82 1.57 -0.43 0.04 116.57 119.17 1sb0 h LYS 74 Ca 0.15 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1sb0 h LYS 74 Cb 0.54 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1sb0 h LYS 74 CO -0.49 0.14 0.03 0.82 -0.57 0.00 0.00 179.45 179.39 1sb0 h ILE 75 N 0.22 0.81 -0.30 1.86 2.04 -0.06 0.24 117.51 122.32 1sb0 h ILE 75 Ca 0.11 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1sb0 h ILE 75 Cb 0.06 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1sb0 h ILE 75 CO -0.10 0.02 0.07 1.56 0.00 0.00 0.00 178.15 179.71 1sb0 h GLN 76 N 0.13 0.18 0.14 2.37 1.08 -0.38 0.34 115.11 118.98 1sb0 h GLN 76 Ca 0.15 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1sb0 h GLN 76 Cb 0.19 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1sb0 h GLN 76 CO -0.23 0.12 -0.07 0.87 -0.95 0.00 0.00 178.83 178.57 1sb0 h LYS 77 N 0.19 -0.19 0.03 1.46 1.79 -0.56 -3.07 116.57 116.22 1sb0 h LYS 77 Ca 0.14 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1sb0 h LYS 77 Cb 0.14 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1sb0 h LYS 77 CO -0.17 0.08 -0.01 0.93 -1.08 0.00 0.00 179.45 179.19 1sb0 h GLU 78 N -0.44 -0.03 0.00 3.15 4.39 -0.45 -3.41 114.58 117.78 1sb0 h GLU 78 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1sb0 h GLU 78 Cb 0.35 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1sb0 h GLU 78 CO 0.03 0.01 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.77 1sb0 h LEU 79 N -1.01 0.00 -2.74 1.33 -0.00 -0.53 -3.37 115.31 108.99 1sb0 h LEU 79 Ca -0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.04 1sb0 h LEU 79 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1sb0 h LEU 79 CO 0.01 0.95 0.00 -0.62 -0.00 0.00 0.00 178.44 178.77 1sb0 n GLU 80 N -4.63 0.95 0.04 1.13 -0.58 -0.52 -3.60 120.64 113.44 1sb0 n GLU 80 Ca -0.09 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.44 1sb0 n GLU 80 Cb 0.42 -1.03 -0.10 0.00 -0.57 0.00 0.00 31.44 30.16 1sb0 n GLU 80 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1sb0 h GLU 81 N 0.84 0.70 -2.13 3.49 4.11 -1.73 -3.27 114.58 116.60 1sb0 h GLU 81 Ca 0.00 -0.76 -0.06 0.00 0.07 0.00 0.00 59.36 58.62 1sb0 h GLU 81 Cb 0.95 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1sb0 h GLU 81 CO 0.00 1.33 -0.05 0.36 0.07 0.00 0.00 179.01 180.71 1sb0 n LYS 82 N -3.85 1.00 -0.39 1.06 2.85 -1.24 -4.77 118.16 112.82 1sb0 n LYS 82 Ca -0.11 -0.30 -0.09 0.00 -1.05 0.00 0.00 58.31 56.76 1sb0 n LYS 82 Cb 0.89 -1.45 -0.07 0.00 -0.65 0.00 0.00 35.03 33.75 1sb0 n LYS 82 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1sb0 h ARG 83 N 2.75 -0.03 0.00 -1.58 2.43 -1.88 0.80 114.38 116.88 1sb0 h ARG 83 Ca 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1sb0 h ARG 83 Cb 0.86 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1sb0 h ARG 83 CO 0.13 -0.02 -0.15 0.00 -1.51 0.00 0.00 179.97 178.43 1sb0 h ARG 84 N -0.03 0.00 -4.62 0.20 3.08 -1.92 -3.38 114.38 107.71 1sb0 h ARG 84 Ca 0.19 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.59 1sb0 h ARG 84 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1sb0 h ARG 84 CO -0.93 0.15 2.54 0.43 -1.07 0.00 0.00 179.97 181.10 1sb0 n SER 85 N -3.51 3.65 -3.15 7.04 7.64 0.27 -4.84 113.62 120.73 1sb0 n SER 85 Ca -0.01 -2.80 -0.19 0.00 1.01 0.00 0.00 58.87 56.88 1sb0 n SER 85 Cb 0.30 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 61.94 1sb0 n SER 85 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sb0 n ARG 86 N 6.98 1.74 0.00 1.43 5.12 -1.26 -5.03 116.66 125.65 1sb0 n ARG 86 Ca 0.50 -1.31 0.14 0.00 -1.93 0.00 0.00 57.85 55.25 1sb0 n ARG 86 Cb 0.41 -2.39 0.45 0.00 -1.16 0.00 0.00 32.46 29.78 1sb0 n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98