#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 2.76 -2.74 1.61 0.31 -1.26 -4.49 118.33 114.52 1sb0 n VAL 2 Ca 0.00 -2.11 -0.06 0.00 -0.01 0.00 0.00 64.34 62.16 1sb0 n VAL 2 Cb 0.00 -2.41 0.04 0.00 -0.91 0.00 0.00 33.84 30.56 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 5.71 0.61 -1.28 5.55 0.00 -1.26 -4.86 116.66 121.13 1sb0 n ARG 3 Ca 0.53 -1.66 0.01 0.00 -0.00 0.00 0.00 57.85 56.73 1sb0 n ARG 3 Cb 0.32 -1.26 -0.00 0.00 0.00 0.00 0.00 32.46 31.52 1sb0 n ARG 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1sb0 n LYS 4 N 2.04 0.00 0.00 -0.14 3.00 -1.26 -4.99 118.16 116.81 1sb0 n LYS 4 Ca 0.11 -1.63 0.00 0.00 -0.00 0.00 0.00 58.31 56.79 1sb0 n LYS 4 Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.73 1sb0 n LYS 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sb0 n GLY 5 N 0.33 1.29 0.27 3.14 0.00 -1.26 -4.27 105.19 104.69 1sb0 n GLY 5 Ca -0.03 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.96 1.61 5.08 -1.96 -3.35 115.95 116.37 1sb0 h TRP 6 Ca 0.00 0.00 0.31 0.00 1.08 0.00 0.00 58.89 60.28 1sb0 h TRP 6 Cb 0.00 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.00 1sb0 h TRP 6 CO 0.00 0.00 0.34 1.12 -1.28 0.00 0.00 178.44 178.62 1sb0 h HIS 7 N 0.00 0.50 -1.17 0.12 2.07 -1.92 -0.36 115.15 114.39 1sb0 h HIS 7 Ca 0.00 0.05 0.33 0.00 -2.85 0.00 0.00 60.37 57.90 1sb0 h HIS 7 Cb 0.46 -0.06 -0.07 0.00 2.57 0.00 0.00 27.41 30.31 1sb0 h HIS 7 CO 0.00 -0.32 0.82 1.05 -3.07 0.00 0.00 177.93 176.40 1sb0 h GLU 8 N 0.13 0.11 0.00 5.12 4.11 -1.90 0.13 114.58 122.29 1sb0 h GLU 8 Ca 0.68 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.97 1sb0 h GLU 8 Cb 1.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1sb0 h GLU 8 CO -0.74 0.07 -0.64 0.45 0.07 0.00 0.00 179.01 178.23 1sb0 h HIS 9 N 0.11 0.00 -3.47 2.06 3.86 -1.38 -3.41 115.15 112.92 1sb0 h HIS 9 Ca 0.59 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 59.15 1sb0 h HIS 9 Cb 2.11 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 30.18 1sb0 h HIS 9 CO -0.00 0.64 -0.60 0.08 0.86 0.00 0.00 177.93 178.90 1sb0 s VAL 10 N -3.40 2.73 0.71 2.45 1.01 0.46 -5.05 120.40 119.31 1sb0 s VAL 10 Ca -0.00 -3.04 -0.11 0.00 0.00 0.00 0.00 61.98 58.83 1sb0 s VAL 10 Cb 0.12 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1sb0 s VAL 10 CO 0.76 -0.77 1.09 0.42 0.00 0.00 0.00 175.10 176.60 1sb0 s THR 11 N 0.02 3.19 0.30 3.92 -4.23 -1.26 -4.80 115.64 112.78 1sb0 s THR 11 Ca 0.15 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1sb0 s THR 11 Cb -0.24 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1sb0 s THR 11 CO -0.02 -0.48 1.72 1.56 -0.54 0.00 0.00 174.62 176.86 1sb0 h GLN 12 N -0.68 0.51 -0.11 3.99 1.08 -1.98 0.29 115.11 118.21 1sb0 h GLN 12 Ca -0.45 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 56.75 1sb0 h GLN 12 Cb 1.27 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.52 1sb0 h GLN 12 CO 0.64 0.34 -0.49 -0.44 -0.95 0.00 0.00 178.83 177.92 1sb0 h ASP 13 N 0.52 -1.55 -0.44 1.46 5.19 -1.99 0.15 116.42 119.77 1sb0 h ASP 13 Ca 0.59 0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 57.14 1sb0 h ASP 13 Cb 1.07 0.61 -0.02 0.00 0.18 0.00 0.00 39.33 41.18 1sb0 h ASP 13 CO -0.48 -0.47 0.10 0.25 -3.12 0.00 0.00 179.24 175.52 1sb0 h LEU 14 N -0.56 0.68 -0.44 1.55 5.85 -1.53 -0.13 115.31 120.73 1sb0 h LEU 14 Ca 0.05 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.62 1sb0 h LEU 14 Cb 0.67 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1sb0 h LEU 14 CO -0.41 0.74 -0.09 0.03 -0.34 0.00 0.00 178.44 178.37 1sb0 h ARG 15 N 0.59 0.02 -0.30 1.25 3.08 -0.71 0.15 114.38 118.46 1sb0 h ARG 15 Ca 0.14 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1sb0 h ARG 15 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1sb0 h ARG 15 CO 0.00 0.01 0.17 1.03 -1.07 0.00 0.00 179.97 180.12 1sb0 h SER 16 N 0.02 0.36 -0.33 7.04 0.87 -0.33 0.73 113.55 121.90 1sb0 h SER 16 Ca 0.21 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1sb0 h SER 16 Cb 0.33 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1sb0 h SER 16 CO -0.44 0.32 0.02 -0.74 -0.53 0.00 0.00 176.83 175.47 1sb0 h HIS 17 N 0.37 0.02 -0.22 2.24 6.17 -0.35 0.00 115.15 123.39 1sb0 h HIS 17 Ca 0.11 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.21 1sb0 h HIS 17 Cb 0.03 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 29.99 1sb0 h HIS 17 CO -0.04 -0.03 0.14 -0.07 0.71 0.00 0.00 177.93 178.64 1sb0 h LEU 18 N 0.12 0.25 -0.52 0.26 3.38 -0.35 0.56 115.31 119.02 1sb0 h LEU 18 Ca 0.16 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1sb0 h LEU 18 Cb 0.20 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 1sb0 h LEU 18 CO -0.25 0.18 -0.15 0.58 0.09 0.00 0.00 178.44 178.89 1sb0 h VAL 19 N 0.29 0.44 -0.25 1.22 2.07 -0.44 0.21 116.25 119.79 1sb0 h VAL 19 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 19 Cb -0.03 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1sb0 h VAL 19 CO -0.02 0.00 -0.03 -0.74 0.02 0.00 0.00 177.57 176.81 1sb0 h HIS 20 N -0.03 -0.06 -1.00 1.57 -0.00 -0.32 -1.25 115.15 114.06 1sb0 h HIS 20 Ca 0.25 0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.76 1sb0 h HIS 20 Cb 0.41 0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.80 1sb0 h HIS 20 CO -0.46 -0.07 0.63 0.87 -0.00 0.00 0.00 177.93 178.91 1sb0 h LYS 21 N 0.04 0.97 0.17 5.26 1.79 0.44 0.53 116.57 125.78 1sb0 h LYS 21 Ca 0.12 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1sb0 h LYS 21 Cb 0.17 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1sb0 h LYS 21 CO -0.22 0.64 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.55 1sb0 h LEU 22 N 1.00 -0.46 -0.18 2.94 3.38 0.35 0.23 115.31 122.57 1sb0 h LEU 22 Ca 0.49 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.56 1sb0 h LEU 22 Cb 0.48 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1sb0 h LEU 22 CO -0.26 -0.26 -0.12 0.58 0.09 0.00 0.00 178.44 178.47 1sb0 h VAL 23 N -0.38 0.64 -0.16 1.22 2.07 -0.16 0.13 116.25 119.61 1sb0 h VAL 23 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1sb0 h VAL 23 Cb 0.36 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1sb0 h VAL 23 CO -0.04 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.10 1sb0 h GLN 24 N -0.12 0.04 -0.67 1.57 1.08 -0.74 0.21 115.11 116.49 1sb0 h GLN 24 Ca 0.11 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1sb0 h GLN 24 Cb 0.28 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1sb0 h GLN 24 CO -0.26 0.03 0.32 0.00 -0.95 0.00 0.00 178.83 177.97 1sb0 h ALA 25 N 1.14 0.86 -0.06 3.87 0.00 -0.11 -0.95 119.26 124.01 1sb0 h ALA 25 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sb0 h ALA 25 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sb0 h ALA 25 CO -0.13 0.42 0.02 0.82 0.00 0.00 0.00 179.25 180.38 1sb0 h ILE 26 N 0.92 1.16 -1.06 0.00 2.04 -0.83 -3.45 117.51 116.30 1sb0 h ILE 26 Ca 0.23 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1sb0 h ILE 26 Cb 0.12 1.38 -0.21 0.00 -0.74 0.00 0.00 36.82 37.37 1sb0 h ILE 26 CO -0.03 0.13 -0.40 0.12 0.00 0.00 0.00 178.15 177.98 1sb0 s PHE 27 N -5.43 -1.79 0.14 1.37 5.36 0.74 -5.06 117.98 113.31 1sb0 s PHE 27 Ca -0.14 0.96 -0.34 0.00 -0.96 0.00 0.00 56.93 56.45 1sb0 s PHE 27 Cb 0.05 0.28 -0.13 0.00 -0.34 0.00 0.00 43.02 42.88 1sb0 s PHE 27 CO 0.68 -1.09 1.63 -2.30 -1.46 0.00 0.00 175.22 172.68 1sb0 n PRO 28 N 5.33 2.25 -3.26 10.12 -0.02 -0.42 -4.03 135.00 144.98 1sb0 n PRO 28 Ca 0.05 0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 61.95 1sb0 n PRO 28 Cb 0.54 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 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 1.28 5.08 0.37 3.45 -4.23 -1.26 -4.98 115.64 115.36 1sb0 s THR 29 Ca 0.80 0.74 0.13 0.00 -1.18 0.00 0.00 61.69 62.18 1sb0 s THR 29 Cb -0.65 -3.83 0.35 0.00 1.34 0.00 0.00 72.50 69.71 1sb0 s THR 29 CO 0.38 0.05 1.82 -0.65 -0.54 0.00 0.00 174.62 175.68 1sb0 h PRO 30 N 8.12 0.54 -2.67 3.99 0.11 -2.01 -3.43 132.00 136.66 1sb0 h PRO 30 Ca -0.29 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 1sb0 h PRO 30 Cb 1.14 -0.12 -0.25 0.00 0.11 0.00 0.00 31.00 31.88 1sb0 h PRO 30 CO 0.71 0.36 -0.25 0.34 -0.21 0.00 0.00 178.00 178.95 1sb0 s ASP 31 N -5.51 -0.48 0.30 -2.05 -1.08 -1.26 -5.05 116.67 101.54 1sb0 s ASP 31 Ca -0.09 0.89 0.04 0.00 -0.52 0.00 0.00 52.55 52.86 1sb0 s ASP 31 Cb 0.24 0.84 0.79 0.00 -1.46 0.00 0.00 42.92 43.32 1sb0 s ASP 31 CO 0.79 -0.17 1.61 -0.65 0.52 0.00 0.00 175.17 177.27 1sb0 h PRO 32 N 6.18 0.09 -0.83 4.34 0.11 -2.04 0.53 132.00 140.38 1sb0 h PRO 32 Ca -0.31 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.98 1sb0 h PRO 32 Cb 1.18 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1sb0 h PRO 32 CO 0.26 0.06 0.56 0.00 -0.21 0.00 0.00 178.00 178.67 1sb0 h ALA 33 N 1.89 2.20 -0.24 -0.75 0.00 -1.99 -0.26 119.26 120.12 1sb0 h ALA 33 Ca 0.60 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.58 1sb0 h ALA 33 Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1sb0 h ALA 33 CO -0.78 -0.45 0.24 0.00 0.00 0.00 0.00 179.25 178.26 1sb0 h ALA 34 N 1.62 1.93 -0.37 0.00 0.00 -1.30 -1.12 119.26 120.02 1sb0 h ALA 34 Ca 0.42 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.43 1sb0 h ALA 34 Cb 1.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1sb0 h ALA 34 CO -0.14 -0.36 0.40 -0.07 0.00 0.00 0.00 179.25 179.08 1sb0 h LEU 35 N 0.00 0.00 -1.78 0.00 3.38 -1.17 -0.20 115.31 115.55 1sb0 h LEU 35 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sb0 h LEU 35 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1sb0 h LEU 35 CO -0.00 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.62 1sb0 h LYS 36 N 0.00 0.00 -6.91 1.13 1.57 -1.40 -3.18 116.57 107.77 1sb0 h LYS 36 Ca 0.18 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.42 1sb0 h LYS 36 Cb 0.97 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.38 1sb0 h LYS 36 CO -0.00 0.01 0.80 0.34 -0.57 0.00 0.00 179.45 180.04 1sb0 s ASP 37 N -5.62 6.35 0.52 0.86 -1.08 -0.09 -4.76 116.67 112.86 1sb0 s ASP 37 Ca -0.00 3.03 0.21 0.00 -0.52 0.00 0.00 52.55 55.27 1sb0 s ASP 37 Cb 0.10 -2.66 1.34 0.00 -1.46 0.00 0.00 42.92 40.24 1sb0 s ASP 37 CO 0.52 -0.88 2.06 0.08 0.52 0.00 0.00 175.17 177.47 1sb0 h ARG 38 N 3.42 0.01 0.23 4.34 0.11 -1.89 0.19 114.38 120.79 1sb0 h ARG 38 Ca -0.50 -0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.27 1sb0 h ARG 38 Cb 1.23 -0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.35 1sb0 h ARG 38 CO 0.68 0.01 -1.35 0.00 0.10 0.00 0.00 179.97 179.40 1sb0 h ARG 39 N 0.01 0.49 -0.67 0.08 2.47 -1.94 -3.05 114.38 111.77 1sb0 h ARG 39 Ca 0.15 -0.83 0.01 0.00 -1.26 0.00 0.00 59.98 58.05 1sb0 h ARG 39 Cb 0.60 0.31 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 1sb0 h ARG 39 CO -0.00 1.40 0.44 0.52 0.56 0.00 0.00 179.97 182.89 1sb0 h MET 40 N 0.03 0.87 -0.97 0.04 2.86 -1.39 0.81 114.93 117.17 1sb0 h MET 40 Ca -0.24 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 57.57 1sb0 h MET 40 Cb 2.06 -0.20 -0.09 0.00 0.06 0.00 0.00 31.60 33.43 1sb0 h MET 40 CO 0.25 0.58 0.62 1.49 1.06 0.00 0.00 176.91 180.91 1sb0 h GLU 41 N 0.90 0.50 -0.38 1.72 4.57 -0.69 0.21 114.58 121.42 1sb0 h GLU 41 Ca 0.25 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1sb0 h GLU 41 Cb -0.09 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1sb0 h GLU 41 CO -0.06 0.33 0.04 -0.97 -1.18 0.00 0.00 179.01 177.17 1sb0 h ASN 42 N 0.52 0.62 -0.24 1.04 -0.00 -0.77 0.15 115.58 116.90 1sb0 h ASN 42 Ca 0.54 -0.28 -0.01 0.00 -0.00 0.00 0.00 56.30 56.55 1sb0 h ASN 42 Cb 1.17 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.31 1sb0 h ASN 42 CO -0.27 0.75 0.11 -0.07 -0.00 0.00 0.00 177.43 177.94 1sb0 h LEU 43 N 0.47 0.32 0.07 0.34 4.07 0.17 0.78 115.31 121.53 1sb0 h LEU 43 Ca 0.11 -0.14 0.02 0.00 0.08 0.00 0.00 57.88 57.96 1sb0 h LEU 43 Cb 0.41 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1sb0 h LEU 43 CO 0.01 0.36 -0.23 0.58 -1.08 0.00 0.00 178.44 178.09 1sb0 h VAL 44 N 0.25 0.48 -0.28 1.22 2.07 -0.59 0.15 116.25 119.55 1sb0 h VAL 44 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1sb0 h VAL 44 Cb 0.14 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1sb0 h VAL 44 CO -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.58 1sb0 h ALA 45 N 0.42 0.25 -0.09 1.67 0.00 -0.61 0.10 119.26 121.00 1sb0 h ALA 45 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1sb0 h ALA 45 Cb 0.44 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1sb0 h ALA 45 CO -0.16 -0.42 -0.18 -0.92 0.00 0.00 0.00 179.25 177.58 1sb0 h TYR 46 N 0.08 -0.46 -0.56 0.00 3.20 -0.49 0.39 116.97 119.12 1sb0 h TYR 46 Ca 0.14 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1sb0 h TYR 46 Cb 0.18 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1sb0 h TYR 46 CO -0.22 -0.25 0.32 0.00 -1.64 0.00 0.00 178.16 176.37 1sb0 h ALA 47 N 0.74 0.73 0.20 1.82 0.00 -0.19 0.17 119.26 122.74 1sb0 h ALA 47 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sb0 h ALA 47 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1sb0 h ALA 47 CO -0.23 0.01 -0.25 0.87 0.00 0.00 0.00 179.25 179.66 1sb0 h LYS 48 N 0.62 -0.48 -0.03 0.00 1.57 -0.46 0.14 116.57 117.94 1sb0 h LYS 48 Ca 0.24 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1sb0 h LYS 48 Cb 0.09 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1sb0 h LYS 48 CO -0.13 -0.32 -0.33 0.87 -0.57 0.00 0.00 179.45 178.97 1sb0 h LYS 49 N -0.50 -0.45 -0.16 3.15 1.57 -0.42 0.44 116.57 120.20 1sb0 h LYS 49 Ca 0.01 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1sb0 h LYS 49 Cb 0.48 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1sb0 h LYS 49 CO -0.09 -0.30 0.10 0.28 -0.57 0.00 0.00 179.45 178.88 1sb0 h VAL 50 N -0.46 1.03 -0.37 0.50 2.07 -0.59 0.92 116.25 119.35 1sb0 h VAL 50 Ca 0.07 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1sb0 h VAL 50 Cb 0.56 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1sb0 h VAL 50 CO -0.29 0.04 0.10 -0.08 0.02 0.00 0.00 177.57 177.36 1sb0 h GLU 51 N 0.21 0.24 0.11 1.57 4.22 -0.45 0.10 114.58 120.58 1sb0 h GLU 51 Ca 0.06 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.51 1sb0 h GLU 51 Cb -0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1sb0 h GLU 51 CO -0.02 0.16 -0.32 0.78 -2.18 0.00 0.00 179.01 177.42 1sb0 h GLY 52 N 0.24 -0.61 -0.10 1.92 0.00 -0.57 0.87 103.07 104.82 1sb0 h GLY 52 Ca 0.17 0.38 0.10 0.00 0.00 0.00 0.00 47.33 47.99 1sb0 h GLY 52 CO -0.20 -0.25 -0.18 -1.80 0.00 0.00 0.00 176.54 174.11 1sb0 h ASP 53 N -0.54 -0.65 -0.46 0.19 3.58 -0.27 -0.11 116.42 118.16 1sb0 h ASP 53 Ca 0.03 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1sb0 h ASP 53 Cb 0.58 0.38 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 1sb0 h ASP 53 CO -0.20 -0.22 0.24 0.24 -2.88 0.00 0.00 179.24 176.42 1sb0 h MET 54 N -0.07 0.65 -0.35 0.28 2.86 -0.50 0.12 114.93 117.93 1sb0 h MET 54 Ca 0.24 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1sb0 h MET 54 Cb 0.44 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1sb0 h MET 54 CO -0.55 0.54 -0.01 -0.92 1.06 0.00 0.00 176.91 177.03 1sb0 h TYR 55 N 0.60 -0.03 -0.20 -0.22 5.03 0.40 0.28 116.97 122.82 1sb0 h TYR 55 Ca 0.16 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.36 1sb0 h TYR 55 Cb 0.09 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1sb0 h TYR 55 CO -0.01 -0.07 -0.45 0.93 -1.32 0.00 0.00 178.16 177.23 1sb0 h GLU 56 N 0.09 0.49 -0.15 1.82 4.39 -0.84 -3.20 114.58 117.18 1sb0 h GLU 56 Ca 0.17 -0.27 -0.21 0.00 0.34 0.00 0.00 59.36 59.39 1sb0 h GLU 56 Cb 0.23 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1sb0 h GLU 56 CO -0.29 0.85 -0.73 0.77 -1.16 0.00 0.00 179.01 178.44 1sb0 h SER 57 N 0.40 0.84 -2.63 1.42 0.02 -0.23 -3.45 113.55 109.93 1sb0 h SER 57 Ca 0.03 -0.53 -0.57 0.00 -0.84 0.00 0.00 61.79 59.87 1sb0 h SER 57 Cb 0.95 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1sb0 h SER 57 CO 0.08 1.32 1.28 0.00 -1.14 0.00 0.00 176.83 178.37 1sb0 s ALA 58 N -3.77 2.81 0.34 3.77 0.00 0.92 -4.89 121.76 120.94 1sb0 s ALA 58 Ca -0.09 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1sb0 s ALA 58 Cb 0.09 -4.04 0.65 0.00 0.00 0.00 0.00 23.12 19.83 1sb0 s ALA 58 CO 0.89 -2.74 1.96 -2.95 0.00 0.00 0.00 175.76 172.92 1sb0 h ASN 59 N 13.00 0.75 -4.23 0.00 7.08 -1.88 -3.44 115.58 126.86 1sb0 h ASN 59 Ca -0.33 -0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.54 1sb0 h ASN 59 Cb 1.17 -0.17 -0.18 0.00 -2.08 0.00 0.00 38.32 37.06 1sb0 h ASN 59 CO 1.05 0.50 -0.74 -0.55 -2.08 0.00 0.00 177.43 175.62 1sb0 s SER 60 N -6.23 1.65 0.31 6.14 0.15 -1.26 -4.81 113.70 109.65 1sb0 s SER 60 Ca -0.10 -0.84 0.07 0.00 0.70 0.00 0.00 55.95 55.78 1sb0 s SER 60 Cb 0.19 -0.02 0.79 0.00 -1.71 0.00 0.00 66.02 65.27 1sb0 s SER 60 CO 0.78 -0.24 1.76 -0.09 1.20 0.00 0.00 173.24 176.65 1sb0 h ARG 61 N 3.45 0.69 -0.30 5.44 2.43 -1.91 0.98 114.38 125.16 1sb0 h ARG 61 Ca -0.38 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1sb0 h ARG 61 Cb 1.19 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1sb0 h ARG 61 CO 0.54 0.46 0.06 -0.44 -1.51 0.00 0.00 179.97 179.07 1sb0 h ASP 62 N 0.71 0.00 0.09 -3.80 3.32 -1.97 0.09 116.42 114.86 1sb0 h ASP 62 Ca 0.60 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.69 1sb0 h ASP 62 Cb 1.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1sb0 h ASP 62 CO -0.41 0.04 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.03 1sb0 h GLU 63 N 0.16 -0.12 -0.60 3.56 4.81 -1.45 -0.08 114.58 120.86 1sb0 h GLU 63 Ca 0.14 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1sb0 h GLU 63 Cb 0.15 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.44 1sb0 h GLU 63 CO -0.19 0.04 -0.31 -0.92 -0.73 0.00 0.00 179.01 176.90 1sb0 h TYR 64 N -0.25 -0.82 0.40 0.92 3.20 -0.47 0.23 116.97 120.18 1sb0 h TYR 64 Ca -0.01 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1sb0 h TYR 64 Cb 0.20 0.45 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1sb0 h TYR 64 CO -0.03 -0.37 -0.22 1.88 -1.64 0.00 0.00 178.16 177.79 1sb0 h TYR 65 N -0.14 -0.56 0.32 -3.82 0.05 -0.89 -2.45 116.97 109.49 1sb0 h TYR 65 Ca 0.25 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1sb0 h TYR 65 Cb 0.54 0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 1sb0 h TYR 65 CO -0.62 -0.34 -0.50 1.25 -1.05 0.00 0.00 178.16 176.89 1sb0 h HIS 66 N -0.57 -1.43 0.00 4.88 2.76 0.55 -0.89 115.15 120.45 1sb0 h HIS 66 Ca -0.05 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1sb0 h HIS 66 Cb 0.45 0.58 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 1sb0 h HIS 66 CO -0.07 -0.62 -0.23 1.37 -1.30 0.00 0.00 177.93 177.08 1sb0 h LEU 67 N -0.87 0.00 0.37 0.26 8.10 -0.72 0.17 115.31 122.61 1sb0 h LEU 67 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 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 -0.16 0.23 -0.18 -0.07 -4.11 0.00 0.00 178.44 174.15 1sb0 h LEU 68 N 0.00 -0.42 -0.48 0.17 3.38 -1.11 0.22 115.31 117.08 1sb0 h LEU 68 Ca -0.00 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sb0 h LEU 68 Cb 0.58 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1sb0 h LEU 68 CO 0.03 -0.15 0.14 0.00 0.09 0.00 0.00 178.44 178.55 1sb0 h ALA 69 N -0.14 0.56 -0.61 1.53 0.00 -0.76 -0.83 119.26 119.02 1sb0 h ALA 69 Ca -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sb0 h ALA 69 Cb 0.49 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1sb0 h ALA 69 CO 0.08 -0.26 0.36 1.49 0.00 0.00 0.00 179.25 180.92 1sb0 h GLU 70 N 0.29 0.82 -0.10 0.00 4.81 -0.62 0.41 114.58 120.19 1sb0 h GLU 70 Ca 0.23 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1sb0 h GLU 70 Cb 0.27 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1sb0 h GLU 70 CO -0.27 0.58 0.02 -0.22 -0.73 0.00 0.00 179.01 178.39 1sb0 h LYS 71 N 0.84 0.16 0.07 1.92 1.63 0.58 0.26 116.57 122.03 1sb0 h LYS 71 Ca 0.22 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.00 1sb0 h LYS 71 Cb -0.02 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.55 1sb0 h LYS 71 CO -0.04 0.36 -0.27 0.82 -3.45 0.00 0.00 179.45 176.86 1sb0 h ILE 72 N -0.06 0.40 -0.21 2.00 2.04 -0.79 -0.17 117.51 120.71 1sb0 h ILE 72 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 72 Cb 0.27 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1sb0 h ILE 72 CO 0.00 0.00 -0.34 0.22 0.00 0.00 0.00 178.15 178.03 1sb0 h TYR 73 N -0.46 -0.96 -0.29 1.37 5.03 -0.85 -1.22 116.97 119.59 1sb0 h TYR 73 Ca 0.04 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.44 1sb0 h TYR 73 Cb 0.51 0.45 -0.07 0.00 1.55 0.00 0.00 36.73 39.17 1sb0 h TYR 73 CO -0.27 -0.41 -0.47 0.87 -1.32 0.00 0.00 178.16 176.56 1sb0 h LYS 74 N -0.37 -0.36 -0.04 1.82 1.79 -0.18 0.22 116.57 119.45 1sb0 h LYS 74 Ca 0.11 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1sb0 h LYS 74 Cb 0.56 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.25 1sb0 h LYS 74 CO -0.42 -0.24 -0.36 0.82 -1.08 0.00 0.00 179.45 178.17 1sb0 h ILE 75 N -0.37 0.00 0.00 1.86 2.04 -0.44 0.46 117.51 121.05 1sb0 h ILE 75 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1sb0 h ILE 75 Cb 0.52 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1sb0 h ILE 75 CO -0.47 0.00 -0.15 1.56 0.00 0.00 0.00 178.15 179.09 1sb0 h GLN 76 N -0.42 0.00 0.00 2.37 1.08 -0.99 -0.21 115.11 116.94 1sb0 h GLN 76 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1sb0 h GLN 76 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1sb0 h GLN 76 CO -0.26 0.15 -0.01 -0.22 -0.95 0.00 0.00 178.83 177.55 1sb0 h LYS 77 N 0.00 0.00 -0.89 1.46 1.63 -0.06 -3.36 116.57 115.35 1sb0 h LYS 77 Ca -0.00 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.04 1sb0 h LYS 77 Cb 0.42 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 31.90 1sb0 h LYS 77 CO 0.02 0.00 0.23 0.93 -3.45 0.00 0.00 179.45 177.18 1sb0 h GLU 78 N -0.41 0.18 0.00 1.90 4.39 -0.06 0.44 114.58 121.02 1sb0 h GLU 78 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sb0 h GLU 78 Cb 0.01 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1sb0 h GLU 78 CO 0.00 0.12 0.00 1.25 -1.16 0.00 0.00 179.01 179.22 1sb0 h LEU 79 N 0.19 0.00 0.00 1.33 5.85 -1.18 -3.33 115.31 118.17 1sb0 h LEU 79 Ca 0.57 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.29 1sb0 h LEU 79 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1sb0 h LEU 79 CO -0.68 0.00 -0.20 -0.62 -0.34 0.00 0.00 178.44 176.60 1sb0 n GLU 80 N -2.71 0.11 -3.87 1.25 1.02 0.53 -5.04 120.64 111.94 1sb0 n GLU 80 Ca -0.01 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1sb0 n GLU 80 Cb 0.13 -0.54 -0.16 0.00 -0.02 0.00 0.00 31.44 30.85 1sb0 n GLU 80 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sb0 s GLU 81 N -1.66 1.28 -1.38 3.49 0.41 0.12 -5.05 118.70 115.91 1sb0 s GLU 81 Ca -0.06 -0.80 -0.10 0.00 -0.41 0.00 0.00 54.97 53.60 1sb0 s GLU 81 Cb 0.01 -2.42 -0.06 0.00 -1.78 0.00 0.00 34.13 29.87 1sb0 s GLU 81 CO 0.09 -0.62 2.58 1.63 -0.49 0.00 0.00 175.26 178.45 1sb0 n LYS 82 N 4.80 3.05 0.00 1.61 4.01 -1.26 -3.74 118.16 126.63 1sb0 n LYS 82 Ca -0.11 -2.07 0.00 0.00 -0.51 0.00 0.00 58.31 55.62 1sb0 n LYS 82 Cb 0.45 -2.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.17 1sb0 n LYS 82 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1sb0 n ARG 83 N 4.35 0.00 -1.45 1.97 1.74 -1.26 -4.99 116.66 117.03 1sb0 n ARG 83 Ca 0.65 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 57.33 1sb0 n ARG 83 Cb 0.24 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 1sb0 n ARG 83 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sb0 n ARG 84 N 0.00 3.50 -0.10 5.56 1.74 -1.26 -4.49 116.66 121.60 1sb0 n ARG 84 Ca 0.00 -2.34 -0.20 0.00 -0.77 0.00 0.00 57.85 54.53 1sb0 n ARG 84 Cb 0.00 -2.93 -0.10 0.00 -1.02 0.00 0.00 32.46 28.41 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 4.22 1.86 0.30 0.55 3.41 -1.26 -4.39 113.62 118.30 1sb0 n SER 85 Ca 0.71 0.44 -0.17 0.00 -0.26 0.00 0.00 58.87 59.60 1sb0 n SER 85 Cb 0.27 -0.95 -0.08 0.00 -0.26 0.00 0.00 64.21 63.19 1sb0 n SER 85 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1sb0 h ARG 86 N -1.00 -0.69 0.00 4.33 3.08 -1.92 -3.39 114.38 114.79 1sb0 h ARG 86 Ca -0.33 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1sb0 h ARG 86 Cb 1.23 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1sb0 h ARG 86 CO -0.20 -0.46 0.00 1.28 -1.07 0.00 0.00 179.97 179.52