#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 4.08 -0.26 1.61 0.24 -1.26 -4.79 118.33 117.94 1sb0 n VAL 2 Ca 0.00 -2.41 -0.04 0.00 -2.04 0.00 0.00 64.34 59.85 1sb0 n VAL 2 Cb 0.00 -2.54 0.01 0.00 -1.47 0.00 0.00 33.84 29.84 1sb0 n VAL 2 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1sb0 h ARG 3 N 5.02 -0.11 -0.62 7.34 2.47 -1.98 0.59 114.38 127.10 1sb0 h ARG 3 Ca 0.81 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.53 1sb0 h ARG 3 Cb 0.33 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1sb0 h ARG 3 CO 1.68 -0.07 0.00 1.63 0.56 0.00 0.00 179.97 183.76 1sb0 n LYS 4 N -5.44 3.08 0.00 0.04 4.76 -1.26 -4.96 118.16 114.38 1sb0 n LYS 4 Ca 0.06 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.28 1sb0 n LYS 4 Cb 0.37 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 0.99 1.36 0.46 0.72 0.00 0.20 -4.52 105.19 104.39 1sb0 n GLY 5 Ca 0.20 -0.02 0.27 0.00 0.00 0.00 0.00 46.02 46.47 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 0.16 -0.82 1.61 5.08 -1.93 0.30 115.95 120.35 1sb0 h TRP 6 Ca 0.00 0.01 0.28 0.00 1.08 0.00 0.00 58.89 60.26 1sb0 h TRP 6 Cb 0.00 -0.05 -0.15 0.00 -3.00 0.00 0.00 29.16 25.96 1sb0 h TRP 6 CO 0.00 0.03 0.22 0.72 -1.28 0.00 0.00 178.44 178.13 1sb0 n HIS 7 N -4.34 0.73 -0.33 0.12 8.25 -1.26 -0.27 115.22 118.12 1sb0 n HIS 7 Ca 0.20 0.98 0.24 0.00 -0.26 0.00 0.00 57.72 58.88 1sb0 n HIS 7 Cb 0.94 -1.24 0.47 0.00 1.12 0.00 0.00 29.99 31.28 1sb0 n HIS 7 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1sb0 h GLU 8 N 0.00 0.26 -0.65 -0.41 4.81 -1.25 0.13 114.58 117.47 1sb0 h GLU 8 Ca 0.59 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.74 1sb0 h GLU 8 Cb 1.41 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1sb0 h GLU 8 CO -0.70 0.17 0.09 0.72 -0.73 0.00 0.00 179.01 178.56 1sb0 n HIS 9 N -5.10 2.16 -3.44 0.92 8.25 0.63 -4.64 115.22 114.01 1sb0 n HIS 9 Ca 0.32 -0.85 -0.24 0.00 -0.26 0.00 0.00 57.72 56.68 1sb0 n HIS 9 Cb 1.00 -0.56 -0.11 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.78 -0.10 0.73 1.59 1.01 0.44 -5.13 120.40 116.17 1sb0 s VAL 10 Ca 0.53 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1sb0 s VAL 10 Cb 0.41 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1sb0 s VAL 10 CO 0.15 -0.77 1.09 0.42 0.00 0.00 0.00 175.10 175.99 1sb0 s THR 11 N 1.50 3.45 0.29 3.92 -4.23 -1.26 -4.80 115.64 114.52 1sb0 s THR 11 Ca 0.15 0.47 0.04 0.00 -1.18 0.00 0.00 61.69 61.17 1sb0 s THR 11 Cb -0.19 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.55 1sb0 s THR 11 CO -0.11 -0.62 1.72 -0.61 -0.54 0.00 0.00 174.62 174.47 1sb0 h GLN 12 N -0.76 0.48 -0.29 3.99 -0.00 -1.98 0.47 115.11 117.01 1sb0 h GLN 12 Ca -0.45 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.20 1sb0 h GLN 12 Cb 1.25 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.59 1sb0 h GLN 12 CO 0.62 0.32 0.09 -0.44 0.00 0.00 0.00 178.83 179.42 1sb0 h ASP 13 N 0.50 0.09 -0.35 -0.69 5.19 -1.98 0.21 116.42 119.38 1sb0 h ASP 13 Ca 0.55 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.94 1sb0 h ASP 13 Cb 0.98 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1sb0 h ASP 13 CO -0.47 0.08 -0.01 0.25 -3.12 0.00 0.00 179.24 175.97 1sb0 h LEU 14 N 0.21 0.62 -0.40 1.55 5.85 -1.35 0.11 115.31 121.90 1sb0 h LEU 14 Ca 0.13 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1sb0 h LEU 14 Cb 0.11 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 1sb0 h LEU 14 CO -0.14 0.78 -0.12 0.03 -0.34 0.00 0.00 178.44 178.65 1sb0 h ARG 15 N 0.44 -0.02 -0.35 1.25 3.08 -0.71 0.14 114.38 118.20 1sb0 h ARG 15 Ca 0.10 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.19 1sb0 h ARG 15 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1sb0 h ARG 15 CO 0.02 -0.01 0.13 0.77 -1.07 0.00 0.00 179.97 179.81 1sb0 h SER 16 N -0.02 0.15 -0.44 7.04 0.02 -0.29 0.10 113.55 120.12 1sb0 h SER 16 Ca 0.19 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1sb0 h SER 16 Cb 0.32 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1sb0 h SER 16 CO -0.42 0.12 0.28 -0.74 -1.14 0.00 0.00 176.83 174.93 1sb0 h HIS 17 N 0.29 0.53 -0.32 3.45 6.17 0.06 0.71 115.15 126.04 1sb0 h HIS 17 Ca 0.16 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 1sb0 h HIS 17 Cb 0.13 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.86 1sb0 h HIS 17 CO -0.14 0.33 0.12 -0.07 0.71 0.00 0.00 177.93 178.88 1sb0 h LEU 18 N 0.57 0.45 -0.47 0.26 3.38 -0.39 0.56 115.31 119.66 1sb0 h LEU 18 Ca 0.16 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1sb0 h LEU 18 Cb -0.05 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 1sb0 h LEU 18 CO -0.05 0.50 -0.09 0.58 0.09 0.00 0.00 178.44 179.48 1sb0 h VAL 19 N 0.37 0.55 -0.25 1.22 2.07 -0.51 0.12 116.25 119.83 1sb0 h VAL 19 Ca 0.11 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1sb0 h VAL 19 Cb 0.20 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1sb0 h VAL 19 CO -0.01 0.00 -0.04 -0.74 0.02 0.00 0.00 177.57 176.80 1sb0 h HIS 20 N 0.03 -0.10 -0.75 1.57 -0.00 -0.35 -1.13 115.15 114.41 1sb0 h HIS 20 Ca 0.23 0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.75 1sb0 h HIS 20 Cb 0.35 0.08 -0.09 0.00 -0.00 0.00 0.00 27.41 27.76 1sb0 h HIS 20 CO -0.38 -0.09 0.34 0.87 -0.00 0.00 0.00 177.93 178.67 1sb0 h LYS 21 N 0.02 0.51 0.02 5.26 1.79 0.24 0.11 116.57 124.52 1sb0 h LYS 21 Ca 0.12 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1sb0 h LYS 21 Cb 0.18 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 1sb0 h LYS 21 CO -0.24 0.34 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.19 1sb0 h LEU 22 N 0.53 -0.60 0.03 2.94 3.38 0.27 0.19 115.31 122.05 1sb0 h LEU 22 Ca 0.40 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.48 1sb0 h LEU 22 Cb 0.54 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1sb0 h LEU 22 CO -0.35 -0.28 -0.26 0.58 0.09 0.00 0.00 178.44 178.23 1sb0 h VAL 23 N -0.34 0.41 -0.42 1.22 2.07 -0.23 -1.41 116.25 117.55 1sb0 h VAL 23 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1sb0 h VAL 23 Cb 0.41 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1sb0 h VAL 23 CO -0.18 0.00 0.06 1.56 0.02 0.00 0.00 177.57 179.03 1sb0 h GLN 24 N -0.42 0.17 -0.80 1.57 1.08 -0.51 0.31 115.11 116.50 1sb0 h GLN 24 Ca 0.05 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1sb0 h GLN 24 Cb 0.49 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1sb0 h GLN 24 CO -0.21 0.11 0.52 0.00 -0.95 0.00 0.00 178.83 178.31 1sb0 h ALA 25 N 1.34 1.03 0.08 3.87 0.00 -0.25 -1.56 119.26 123.78 1sb0 h ALA 25 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sb0 h ALA 25 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sb0 h ALA 25 CO -0.30 0.37 -0.04 0.82 0.00 0.00 0.00 179.25 180.11 1sb0 h ILE 26 N 1.04 1.17 -2.20 0.00 2.04 -0.82 -3.45 117.51 115.30 1sb0 h ILE 26 Ca 0.31 -1.23 -0.36 0.00 1.00 0.00 0.00 64.86 64.57 1sb0 h ILE 26 Cb -0.06 1.93 -0.34 0.00 -0.74 0.00 0.00 36.82 37.61 1sb0 h ILE 26 CO -0.09 0.29 -0.66 0.12 0.00 0.00 0.00 178.15 177.81 1sb0 s PHE 27 N -3.74 -0.33 0.02 1.37 2.19 0.10 -5.11 117.98 112.49 1sb0 s PHE 27 Ca -0.15 -0.37 -0.34 0.00 0.33 0.00 0.00 56.93 56.40 1sb0 s PHE 27 Cb 0.01 -0.51 -0.13 0.00 -1.31 0.00 0.00 43.02 41.08 1sb0 s PHE 27 CO 0.59 -0.92 1.75 -2.30 1.83 0.00 0.00 175.22 176.18 1sb0 n PRO 28 N 5.12 2.19 -2.94 10.12 -0.02 -0.61 -3.78 135.00 145.08 1sb0 n PRO 28 Ca -0.00 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 1sb0 n PRO 28 Cb 0.45 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 1sb0 n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sb0 s THR 29 N 2.72 4.90 0.31 3.45 -4.23 -1.26 -4.96 115.64 116.57 1sb0 s THR 29 Ca 0.87 1.52 0.08 0.00 -1.18 0.00 0.00 61.69 62.97 1sb0 s THR 29 Cb -0.68 -4.09 0.31 0.00 1.34 0.00 0.00 72.50 69.38 1sb0 s THR 29 CO 0.45 0.03 1.73 -0.65 -0.54 0.00 0.00 174.62 175.64 1sb0 h PRO 30 N 7.44 0.56 -2.21 3.99 0.11 -1.99 -3.44 132.00 136.46 1sb0 h PRO 30 Ca -0.29 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 1sb0 h PRO 30 Cb 1.13 -0.13 -0.21 0.00 0.11 0.00 0.00 31.00 31.90 1sb0 h PRO 30 CO 0.83 0.37 0.04 0.34 -0.21 0.00 0.00 178.00 179.37 1sb0 s ASP 31 N -5.22 -0.63 0.29 -2.05 -1.08 -1.26 -5.05 116.67 101.67 1sb0 s ASP 31 Ca -0.11 1.10 0.02 0.00 -0.52 0.00 0.00 52.55 53.04 1sb0 s ASP 31 Cb 0.27 1.09 0.73 0.00 -1.46 0.00 0.00 42.92 43.54 1sb0 s ASP 31 CO 0.79 -0.31 1.61 -0.65 0.52 0.00 0.00 175.17 177.13 1sb0 h PRO 32 N 4.64 0.09 -0.73 4.34 0.11 -2.04 0.11 132.00 138.52 1sb0 h PRO 32 Ca -0.28 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.97 1sb0 h PRO 32 Cb 1.16 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1sb0 h PRO 32 CO 0.18 0.06 0.49 0.00 -0.21 0.00 0.00 178.00 178.52 1sb0 h ALA 33 N 1.87 2.13 -0.07 -0.75 0.00 -1.99 -0.13 119.26 120.32 1sb0 h ALA 33 Ca 0.57 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.50 1sb0 h ALA 33 Cb 1.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sb0 h ALA 33 CO -0.77 -0.32 0.12 0.00 0.00 0.00 0.00 179.25 178.28 1sb0 h ALA 34 N 1.65 1.45 -0.31 0.00 0.00 -1.18 -1.16 119.26 119.70 1sb0 h ALA 34 Ca 0.36 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.36 1sb0 h ALA 34 Cb 0.84 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1sb0 h ALA 34 CO -0.11 -0.16 0.37 -0.07 0.00 0.00 0.00 179.25 179.28 1sb0 h LEU 35 N 0.00 0.00 -1.06 0.00 3.38 -1.12 -0.01 115.31 116.50 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 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 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 -6.74 1.13 1.79 -1.41 -3.25 116.57 108.08 1sb0 h LYS 36 Ca 0.15 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.09 1sb0 h LYS 36 Cb 0.89 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.61 1sb0 h LYS 36 CO -0.00 0.00 0.95 -3.47 -1.08 0.00 0.00 179.45 175.85 1sb0 n ASP 37 N -2.97 3.97 -0.12 0.86 2.03 -0.02 -4.74 116.55 115.56 1sb0 n ASP 37 Ca 0.02 1.11 -0.07 0.00 0.52 0.00 0.00 54.79 56.36 1sb0 n ASP 37 Cb 0.34 -1.59 -0.01 0.00 -0.72 0.00 0.00 41.12 39.14 1sb0 n ASP 37 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1sb0 h ARG 38 N 5.68 -0.22 -0.54 -0.67 2.47 -1.89 0.27 114.38 119.48 1sb0 h ARG 38 Ca -0.45 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.34 1sb0 h ARG 38 Cb 1.21 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.53 1sb0 h ARG 38 CO 0.87 -0.15 0.25 0.00 0.56 0.00 0.00 179.97 181.49 1sb0 h ARG 39 N -0.23 0.45 -0.59 0.04 3.08 -1.96 -0.08 114.38 115.09 1sb0 h ARG 39 Ca 0.18 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1sb0 h ARG 39 Cb 0.53 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1sb0 h ARG 39 CO -0.53 0.30 0.34 1.98 -1.07 0.00 0.00 179.97 180.99 1sb0 h MET 40 N 0.47 0.81 -0.89 0.04 4.05 -1.26 0.10 114.93 118.26 1sb0 h MET 40 Ca 0.25 -0.09 0.10 0.00 -0.28 0.00 0.00 59.70 59.68 1sb0 h MET 40 Cb 0.22 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 1sb0 h MET 40 CO -0.21 0.61 0.57 0.93 0.23 0.00 0.00 176.91 179.04 1sb0 h GLU 41 N 0.80 0.85 -0.40 0.39 5.08 0.06 0.16 114.58 121.53 1sb0 h GLU 41 Ca 0.21 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1sb0 h GLU 41 Cb 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1sb0 h GLU 41 CO -0.04 0.56 0.06 -0.91 -1.00 0.00 0.00 179.01 177.69 1sb0 h ASN 42 N 0.88 0.64 -0.24 1.42 2.35 0.27 0.14 115.58 121.04 1sb0 h ASN 42 Ca 0.41 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1sb0 h ASN 42 Cb 0.41 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1sb0 h ASN 42 CO -0.17 0.74 0.11 -0.07 -1.65 0.00 0.00 177.43 176.39 1sb0 h LEU 43 N 0.51 0.16 -0.31 1.61 4.07 0.16 0.38 115.31 121.90 1sb0 h LEU 43 Ca 0.12 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.16 1sb0 h LEU 43 Cb 0.38 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 1sb0 h LEU 43 CO 0.01 0.13 -0.11 0.58 -1.08 0.00 0.00 178.44 177.96 1sb0 h VAL 44 N 0.24 0.61 -0.02 1.22 2.07 -0.60 0.13 116.25 119.90 1sb0 h VAL 44 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 44 Cb 0.03 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1sb0 h VAL 44 CO -0.07 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.41 1sb0 h ALA 45 N 1.23 -0.11 -0.33 1.67 0.00 -0.24 0.15 119.26 121.63 1sb0 h ALA 45 Ca 0.16 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1sb0 h ALA 45 Cb 0.29 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1sb0 h ALA 45 CO -0.35 -0.60 -0.08 -0.92 0.00 0.00 0.00 179.25 177.30 1sb0 h TYR 46 N -0.18 -0.17 -0.40 0.00 3.20 -0.59 0.45 116.97 119.28 1sb0 h TYR 46 Ca 0.05 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1sb0 h TYR 46 Cb 0.24 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1sb0 h TYR 46 CO -0.18 -0.14 0.24 0.00 -1.64 0.00 0.00 178.16 176.44 1sb0 h ALA 47 N 1.33 0.50 0.05 1.82 0.00 -0.25 0.89 119.26 123.59 1sb0 h ALA 47 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1sb0 h ALA 47 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1sb0 h ALA 47 CO -0.34 -0.09 -0.18 0.87 0.00 0.00 0.00 179.25 179.51 1sb0 h LYS 48 N 0.48 -0.32 0.01 0.00 1.57 -0.30 0.12 116.57 118.14 1sb0 h LYS 48 Ca 0.16 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1sb0 h LYS 48 Cb -0.00 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1sb0 h LYS 48 CO -0.07 -0.21 -0.36 0.87 -0.57 0.00 0.00 179.45 179.11 1sb0 h LYS 49 N -0.33 -0.50 -0.37 3.15 1.57 -0.51 0.12 116.57 119.71 1sb0 h LYS 49 Ca 0.04 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1sb0 h LYS 49 Cb 0.37 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1sb0 h LYS 49 CO -0.14 -0.33 0.04 -0.24 -0.57 0.00 0.00 179.45 178.21 1sb0 h VAL 50 N -0.52 1.25 -0.40 0.50 3.04 -0.70 0.08 116.25 119.49 1sb0 h VAL 50 Ca 0.05 -0.89 0.03 0.00 -1.01 0.00 0.00 66.70 64.89 1sb0 h VAL 50 Cb 0.60 1.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.94 1sb0 h VAL 50 CO -0.28 0.30 0.19 -0.08 -1.01 0.00 0.00 177.57 176.69 1sb0 h GLU 51 N 0.47 0.38 -0.24 4.17 4.22 -0.61 -0.12 114.58 122.84 1sb0 h GLU 51 Ca 0.11 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.58 1sb0 h GLU 51 Cb 0.39 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1sb0 h GLU 51 CO 0.01 0.25 -0.12 0.78 -2.18 0.00 0.00 179.01 177.75 1sb0 h GLY 52 N 0.39 0.09 0.31 1.92 0.00 -0.41 0.21 103.07 105.58 1sb0 h GLY 52 Ca 0.18 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1sb0 h GLY 52 CO -0.13 -0.14 -0.10 -1.80 0.00 0.00 0.00 176.54 174.37 1sb0 h ASP 53 N -0.08 -0.35 -0.69 0.19 3.58 -0.38 -1.12 116.42 117.56 1sb0 h ASP 53 Ca 0.13 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.69 1sb0 h ASP 53 Cb 0.28 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1sb0 h ASP 53 CO -0.30 -0.13 0.46 0.24 -2.88 0.00 0.00 179.24 176.63 1sb0 h MET 54 N -0.02 0.91 -0.68 0.28 2.86 -0.51 0.11 114.93 117.89 1sb0 h MET 54 Ca 0.16 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 1sb0 h MET 54 Cb 0.27 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 31.64 1sb0 h MET 54 CO -0.35 0.61 0.27 -0.92 1.06 0.00 0.00 176.91 177.58 1sb0 h TYR 55 N 0.94 0.47 0.07 -0.22 3.20 0.45 0.14 116.97 122.02 1sb0 h TYR 55 Ca 0.25 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.91 1sb0 h TYR 55 Cb -0.10 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1sb0 h TYR 55 CO -0.02 0.10 -1.12 0.93 -1.64 0.00 0.00 178.16 176.41 1sb0 h GLU 56 N 0.45 0.16 -0.07 1.82 4.39 -0.89 -3.35 114.58 117.08 1sb0 h GLU 56 Ca 0.36 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1sb0 h GLU 56 Cb 0.48 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1sb0 h GLU 56 CO -0.34 1.11 -0.10 0.77 -1.16 0.00 0.00 179.01 179.29 1sb0 h SER 57 N 0.05 0.21 -2.68 1.42 0.02 -0.06 -3.45 113.55 109.07 1sb0 h SER 57 Ca -0.08 -0.52 -0.53 0.00 -0.84 0.00 0.00 61.79 59.82 1sb0 h SER 57 Cb 1.86 -0.06 0.03 0.00 0.14 0.00 0.00 62.40 64.36 1sb0 h SER 57 CO 0.17 0.69 1.00 0.00 -1.14 0.00 0.00 176.83 177.56 1sb0 s ALA 58 N -4.13 3.71 -0.41 3.77 0.00 0.42 -4.90 121.76 120.22 1sb0 s ALA 58 Ca -0.15 1.27 0.12 0.00 0.00 0.00 0.00 51.96 53.19 1sb0 s ALA 58 Cb 0.03 -3.70 0.68 0.00 0.00 0.00 0.00 23.12 20.13 1sb0 s ALA 58 CO 0.72 -1.09 1.53 -1.71 0.00 0.00 0.00 175.76 175.21 1sb0 n ASN 59 N 5.42 4.89 -3.59 0.00 5.15 -1.26 -4.86 115.26 121.01 1sb0 n ASN 59 Ca 0.16 -2.75 -0.10 0.00 -0.60 0.00 0.00 54.58 51.28 1sb0 n ASN 59 Cb 0.40 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 38.94 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1sb0 s SER 60 N -0.65 -0.39 0.23 1.20 0.01 -1.26 -4.99 113.70 107.85 1sb0 s SER 60 Ca 0.45 0.53 -0.07 0.00 1.31 0.00 0.00 55.95 58.17 1sb0 s SER 60 Cb 0.34 0.46 0.36 0.00 0.21 0.00 0.00 66.02 67.38 1sb0 s SER 60 CO 0.13 -0.29 1.75 -0.09 0.41 0.00 0.00 173.24 175.15 1sb0 h ARG 61 N 3.01 0.47 -0.40 12.44 2.43 -1.90 0.18 114.38 130.61 1sb0 h ARG 61 Ca -0.21 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1sb0 h ARG 61 Cb 1.17 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.52 1sb0 h ARG 61 CO 0.26 0.31 -0.22 0.22 -1.51 0.00 0.00 179.97 179.03 1sb0 h ASP 62 N 0.48 -0.74 0.15 -3.80 3.58 -1.99 0.34 116.42 114.43 1sb0 h ASP 62 Ca 0.36 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.97 1sb0 h ASP 62 Cb 0.46 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1sb0 h ASP 62 CO -0.33 -0.25 -0.15 -0.08 -2.88 0.00 0.00 179.24 175.56 1sb0 h GLU 63 N -0.15 -0.31 -0.57 0.28 4.81 -1.66 -0.21 114.58 116.78 1sb0 h GLU 63 Ca 0.19 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.56 1sb0 h GLU 63 Cb 0.45 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.79 1sb0 h GLU 63 CO -0.49 -0.21 -0.16 -0.92 -0.73 0.00 0.00 179.01 176.50 1sb0 h TYR 64 N -0.32 -0.36 0.52 0.92 3.20 -0.30 0.22 116.97 120.84 1sb0 h TYR 64 Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1sb0 h TYR 64 Cb 0.30 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1sb0 h TYR 64 CO -0.13 -0.26 -0.29 1.88 -1.64 0.00 0.00 178.16 177.71 1sb0 h TYR 65 N -0.02 -0.77 0.35 -3.82 -1.99 -0.77 -2.52 116.97 107.42 1sb0 h TYR 65 Ca 0.27 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 1sb0 h TYR 65 Cb 0.44 0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.40 1sb0 h TYR 65 CO -0.49 -0.46 -0.48 1.25 -0.00 0.00 0.00 178.16 177.98 1sb0 h HIS 66 N -0.76 -1.35 0.00 4.88 2.76 0.61 -0.23 115.15 121.05 1sb0 h HIS 66 Ca -0.06 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 1sb0 h HIS 66 Cb 0.61 0.54 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 1sb0 h HIS 66 CO -0.08 -0.62 -0.22 1.37 -1.30 0.00 0.00 177.93 177.09 1sb0 h LEU 67 N -0.87 0.00 0.13 0.26 8.10 -0.75 0.80 115.31 122.97 1sb0 h LEU 67 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1sb0 h LEU 67 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1sb0 h LEU 67 CO -0.14 0.22 -0.06 -0.07 -4.11 0.00 0.00 178.44 174.27 1sb0 h LEU 68 N 0.00 -0.15 -0.43 0.17 3.38 -1.02 0.16 115.31 117.41 1sb0 h LEU 68 Ca -0.00 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.82 1sb0 h LEU 68 Cb 0.52 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1sb0 h LEU 68 CO 0.03 0.15 0.03 0.00 0.09 0.00 0.00 178.44 178.74 1sb0 h ALA 69 N 0.37 0.43 -0.40 1.53 0.00 -0.51 0.18 119.26 120.86 1sb0 h ALA 69 Ca -0.02 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1sb0 h ALA 69 Cb 0.37 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1sb0 h ALA 69 CO 0.03 -0.36 0.18 1.49 0.00 0.00 0.00 179.25 180.58 1sb0 h GLU 70 N 0.15 0.35 -0.02 0.00 4.57 -0.80 0.11 114.58 118.95 1sb0 h GLU 70 Ca 0.22 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1sb0 h GLU 70 Cb 0.30 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1sb0 h GLU 70 CO -0.33 0.23 -0.18 -0.22 -1.18 0.00 0.00 179.01 177.34 1sb0 h LYS 71 N 0.36 -0.27 -0.30 1.92 1.63 0.26 0.12 116.57 120.29 1sb0 h LYS 71 Ca 0.18 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 1sb0 h LYS 71 Cb 0.11 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.73 1sb0 h LYS 71 CO -0.14 -0.18 -0.25 0.82 -3.45 0.00 0.00 179.45 176.25 1sb0 h ILE 72 N -0.28 0.37 -0.04 2.00 2.04 -0.69 0.70 117.51 121.60 1sb0 h ILE 72 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1sb0 h ILE 72 Cb 0.36 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1sb0 h ILE 72 CO -0.18 0.00 -0.34 0.22 0.00 0.00 0.00 178.15 177.85 1sb0 h TYR 73 N -0.23 -0.95 -0.07 1.37 5.03 -0.30 0.42 116.97 122.23 1sb0 h TYR 73 Ca 0.15 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.51 1sb0 h TYR 73 Cb 0.47 0.42 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 1sb0 h TYR 73 CO -0.43 -0.43 -0.02 0.87 -1.32 0.00 0.00 178.16 176.84 1sb0 h LYS 74 N -0.47 -0.01 -0.22 1.82 1.57 -0.48 -0.12 116.57 118.67 1sb0 h LYS 74 Ca 0.07 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1sb0 h LYS 74 Cb 0.58 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 1sb0 h LYS 74 CO -0.31 -0.00 -0.52 0.82 -0.57 0.00 0.00 179.45 178.87 1sb0 h ILE 75 N -0.01 0.00 -0.23 1.86 2.04 -0.43 0.15 117.51 120.89 1sb0 h ILE 75 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1sb0 h ILE 75 Cb 0.06 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.07 1sb0 h ILE 75 CO -0.08 0.00 -0.27 1.56 0.00 0.00 0.00 178.15 179.36 1sb0 h GLN 76 N -0.50 -0.28 0.20 2.37 1.08 -0.62 0.20 115.11 117.57 1sb0 h GLN 76 Ca 0.04 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1sb0 h GLN 76 Cb 0.62 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1sb0 h GLN 76 CO -0.47 -0.18 -0.21 0.87 -0.95 0.00 0.00 178.83 177.89 1sb0 h LYS 77 N -0.29 -0.43 -0.64 1.46 1.79 -0.51 0.15 116.57 118.10 1sb0 h LYS 77 Ca 0.13 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1sb0 h LYS 77 Cb 0.49 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 1sb0 h LYS 77 CO -0.40 -0.29 0.39 0.93 -1.08 0.00 0.00 179.45 179.00 1sb0 h GLU 78 N -0.45 0.86 0.05 3.15 4.39 -0.54 -3.25 114.58 118.79 1sb0 h GLU 78 Ca 0.00 -0.08 -0.23 0.00 0.34 0.00 0.00 59.36 59.39 1sb0 h GLU 78 Cb 0.42 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1sb0 h GLU 78 CO -0.05 0.61 -1.03 1.25 -1.16 0.00 0.00 179.01 178.63 1sb0 h LEU 79 N 0.87 0.34 -0.92 1.33 5.85 -0.32 -3.38 115.31 119.08 1sb0 h LEU 79 Ca 0.23 -0.31 0.21 0.00 0.84 0.00 0.00 57.88 58.85 1sb0 h LEU 79 Cb -0.03 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 40.72 1sb0 h LEU 79 CO -0.04 1.17 -0.13 1.21 -0.34 0.00 0.00 178.44 180.31 1sb0 n GLU 80 N -3.60 -0.08 -0.34 1.25 4.07 0.51 -0.32 120.64 122.13 1sb0 n GLU 80 Ca -0.05 1.41 0.23 0.00 -0.06 0.00 0.00 57.16 58.69 1sb0 n GLU 80 Cb 0.90 -2.16 0.50 0.00 -0.06 0.00 0.00 31.44 30.63 1sb0 n GLU 80 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1sb0 h GLU 81 N 0.00 0.37 0.00 5.31 4.11 -1.80 -3.08 114.58 119.49 1sb0 h GLU 81 Ca 0.49 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.83 1sb0 h GLU 81 Cb 0.86 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1sb0 h GLU 81 CO -0.91 0.25 -1.36 1.63 0.07 0.00 0.00 179.01 178.69 1sb0 n LYS 82 N -4.68 1.92 0.00 1.06 4.76 0.56 -4.94 118.16 116.84 1sb0 n LYS 82 Ca 0.27 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1sb0 n LYS 82 Cb 0.92 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 1sb0 n LYS 82 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1sb0 n ARG 83 N -2.02 0.00 -0.39 1.97 0.63 0.53 -0.49 116.66 116.89 1sb0 n ARG 83 Ca -0.06 0.00 0.34 0.00 -0.92 0.00 0.00 57.85 57.20 1sb0 n ARG 83 Cb 0.48 0.00 0.66 0.00 0.45 0.00 0.00 32.46 34.06 1sb0 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sb0 h ARG 84 N 0.00 0.14 -0.82 -0.14 3.08 -1.88 0.61 114.38 115.36 1sb0 h ARG 84 Ca 0.00 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.25 1sb0 h ARG 84 Cb 0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1sb0 h ARG 84 CO 0.00 0.09 0.57 0.66 -1.07 0.00 0.00 179.97 180.22 1sb0 h SER 85 N 0.14 0.21 0.00 7.04 4.64 -1.20 -3.28 113.55 121.10 1sb0 h SER 85 Ca 0.67 0.02 -0.63 0.00 -0.47 0.00 0.00 61.79 61.38 1sb0 h SER 85 Cb 2.25 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 64.33 1sb0 h SER 85 CO -0.19 0.09 2.77 0.54 -0.87 0.00 0.00 176.83 179.17 1sb0 n ARG 86 N -4.41 2.24 0.00 4.77 3.00 0.20 -5.22 116.66 117.24 1sb0 n ARG 86 Ca 0.17 -2.05 0.00 0.00 -0.01 0.00 0.00 57.85 55.96 1sb0 n ARG 86 Cb 0.75 -2.94 0.00 0.00 0.00 0.00 0.00 32.46 30.27 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52