#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 3.33 -0.16 1.61 0.24 -1.26 -4.83 118.33 117.25 1sb0 n VAL 2 Ca 0.00 -2.33 -0.04 0.00 -2.04 0.00 0.00 64.34 59.93 1sb0 n VAL 2 Cb 0.00 -2.47 -0.04 0.00 -1.47 0.00 0.00 33.84 29.86 1sb0 n VAL 2 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sb0 n ARG 3 N 4.92 -0.17 -0.49 7.34 5.12 -1.26 -0.61 116.66 131.50 1sb0 n ARG 3 Ca 0.60 0.64 0.06 0.00 -1.93 0.00 0.00 57.85 57.21 1sb0 n ARG 3 Cb 0.28 -0.94 0.23 0.00 -1.16 0.00 0.00 32.46 30.88 1sb0 n ARG 3 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1sb0 n LYS 4 N -4.31 2.51 0.00 5.56 3.00 -1.26 -5.01 118.16 118.66 1sb0 n LYS 4 Ca 0.01 -2.90 0.00 0.00 -0.00 0.00 0.00 58.31 55.42 1sb0 n LYS 4 Cb 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.32 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 -0.75 1.23 0.38 3.14 0.00 0.22 -4.19 105.19 105.22 1sb0 n GLY 5 Ca 0.24 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.71 1.61 5.08 -1.92 -1.07 115.95 118.95 1sb0 h TRP 6 Ca 0.00 0.00 0.22 0.00 1.08 0.00 0.00 58.89 60.19 1sb0 h TRP 6 Cb 0.00 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.03 1sb0 h TRP 6 CO 0.00 0.00 0.11 1.58 -1.28 0.00 0.00 178.44 178.85 1sb0 n HIS 7 N -3.57 0.55 -0.31 0.12 -0.00 -1.26 -0.39 115.22 110.37 1sb0 n HIS 7 Ca 0.06 0.85 0.28 0.00 0.46 0.00 0.00 57.72 59.37 1sb0 n HIS 7 Cb 0.60 -1.10 0.61 0.00 -0.12 0.00 0.00 29.99 29.99 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 0.22 0.00 1.57 4.11 -1.52 -0.18 114.58 118.77 1sb0 h GLU 8 Ca 0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1sb0 h GLU 8 Cb 1.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sb0 h GLU 8 CO -0.64 0.14 0.00 0.45 0.07 0.00 0.00 179.01 179.03 1sb0 h HIS 9 N 0.22 0.00 -3.33 2.06 3.86 -0.96 -3.45 115.15 113.55 1sb0 h HIS 9 Ca 0.57 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 59.12 1sb0 h HIS 9 Cb 1.80 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.99 1sb0 h HIS 9 CO -0.00 0.00 -0.78 0.08 0.86 0.00 0.00 177.93 178.09 1sb0 s VAL 10 N -3.37 2.96 0.44 2.45 1.01 -0.08 -5.12 120.40 118.68 1sb0 s VAL 10 Ca 0.05 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1sb0 s VAL 10 Cb 0.08 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1sb0 s VAL 10 CO 0.57 0.53 0.74 0.42 0.00 0.00 0.00 175.10 177.36 1sb0 s THR 11 N 0.33 4.91 0.22 3.92 -4.23 -1.26 -4.94 115.64 114.59 1sb0 s THR 11 Ca -0.11 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.54 1sb0 s THR 11 Cb -0.16 -3.83 0.18 0.00 1.34 0.00 0.00 72.50 70.03 1sb0 s THR 11 CO 0.06 -0.71 1.85 1.56 -0.54 0.00 0.00 174.62 176.83 1sb0 h GLN 12 N 0.61 0.87 -0.30 3.99 7.50 -1.99 0.61 115.11 126.41 1sb0 h GLN 12 Ca -0.47 -0.05 0.05 0.00 0.50 0.00 0.00 58.65 58.68 1sb0 h GLN 12 Cb 1.20 -0.20 -0.05 0.00 0.05 0.00 0.00 27.48 28.48 1sb0 h GLN 12 CO 0.62 0.58 -0.01 -0.44 -1.50 0.00 0.00 178.83 178.08 1sb0 h ASP 13 N 0.90 -0.15 -0.21 1.46 5.19 -1.98 0.69 116.42 122.31 1sb0 h ASP 13 Ca 0.33 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1sb0 h ASP 13 Cb 0.10 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1sb0 h ASP 13 CO -0.15 -0.04 0.13 0.25 -3.12 0.00 0.00 179.24 176.31 1sb0 h LEU 14 N 0.07 0.21 -0.33 1.55 5.85 -1.60 0.15 115.31 121.20 1sb0 h LEU 14 Ca 0.14 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1sb0 h LEU 14 Cb 0.20 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1sb0 h LEU 14 CO -0.26 0.16 -0.12 0.03 -0.34 0.00 0.00 178.44 177.91 1sb0 h ARG 15 N 0.26 -0.05 -0.08 1.25 3.08 -0.54 0.28 114.38 118.58 1sb0 h ARG 15 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.17 1sb0 h ARG 15 Cb -0.02 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1sb0 h ARG 15 CO -0.03 -0.03 -0.16 0.77 -1.07 0.00 0.00 179.97 179.45 1sb0 h SER 16 N -0.05 -0.49 0.20 7.04 0.02 -0.49 -0.32 113.55 119.46 1sb0 h SER 16 Ca 0.17 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1sb0 h SER 16 Cb 0.30 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1sb0 h SER 16 CO -0.37 -0.21 -0.28 -0.74 -1.14 0.00 0.00 176.83 174.08 1sb0 h HIS 17 N -0.23 0.16 0.05 3.45 -0.00 -0.23 0.39 115.15 118.74 1sb0 h HIS 17 Ca 0.08 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1sb0 h HIS 17 Cb 0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1sb0 h HIS 17 CO -0.25 0.42 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.00 1sb0 h LEU 18 N 0.13 -0.06 -0.44 0.26 3.38 0.06 0.26 115.31 118.91 1sb0 h LEU 18 Ca 0.02 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1sb0 h LEU 18 Cb 0.57 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1sb0 h LEU 18 CO 0.04 0.33 -0.15 0.58 0.09 0.00 0.00 178.44 179.33 1sb0 h VAL 19 N -0.45 0.49 -0.47 1.22 2.07 -0.83 0.67 116.25 118.95 1sb0 h VAL 19 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1sb0 h VAL 19 Cb 0.40 0.49 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 1sb0 h VAL 19 CO 0.01 0.00 -0.20 -0.74 0.02 0.00 0.00 177.57 176.66 1sb0 h HIS 20 N -0.05 -0.51 -0.97 1.57 -0.00 -0.81 -1.60 115.15 112.78 1sb0 h HIS 20 Ca 0.21 0.05 0.09 0.00 -0.00 0.00 0.00 60.37 60.72 1sb0 h HIS 20 Cb 0.37 0.30 -0.08 0.00 -0.00 0.00 0.00 27.41 28.00 1sb0 h HIS 20 CO -0.41 -0.29 0.61 -0.22 -0.00 0.00 0.00 177.93 177.62 1sb0 h LYS 21 N -0.10 1.00 0.45 5.26 1.63 0.16 0.27 116.57 125.25 1sb0 h LYS 21 Ca 0.22 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1sb0 h LYS 21 Cb 0.45 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1sb0 h LYS 21 CO -0.54 0.66 -0.43 -0.07 -3.45 0.00 0.00 179.45 175.63 1sb0 h LEU 22 N 1.04 -1.15 0.31 5.20 3.38 -0.08 0.13 115.31 124.12 1sb0 h LEU 22 Ca 0.45 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 1sb0 h LEU 22 Cb 0.33 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1sb0 h LEU 22 CO -0.22 -0.59 -0.36 0.58 0.09 0.00 0.00 178.44 177.94 1sb0 h VAL 23 N -0.88 0.00 -0.92 1.22 2.07 -0.48 -1.27 116.25 115.98 1sb0 h VAL 23 Ca -0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.66 1sb0 h VAL 23 Cb 0.78 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.37 1sb0 h VAL 23 CO -0.05 0.00 -0.24 1.67 0.02 0.00 0.00 177.57 178.97 1sb0 n GLN 24 N -4.53 -0.09 0.11 1.57 -0.06 0.85 0.15 117.38 115.38 1sb0 n GLN 24 Ca -0.08 1.44 -0.12 0.00 -2.00 0.00 0.00 57.00 56.23 1sb0 n GLN 24 Cb 0.32 -2.15 -0.08 0.00 -4.06 0.00 0.00 30.24 24.27 1sb0 n GLN 24 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sb0 h ALA 25 N 1.82 -0.31 -0.91 1.69 0.00 -0.49 -2.83 119.26 118.22 1sb0 h ALA 25 Ca 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sb0 h ALA 25 Cb 0.67 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1sb0 h ALA 25 CO -0.95 -0.46 0.55 0.82 0.00 0.00 0.00 179.25 179.21 1sb0 h ILE 26 N -0.75 1.25 -1.75 0.00 2.04 -0.30 -3.41 117.51 114.58 1sb0 h ILE 26 Ca -0.03 -0.55 -0.18 0.00 1.00 0.00 0.00 64.86 65.10 1sb0 h ILE 26 Cb 0.50 -0.04 -0.29 0.00 -0.74 0.00 0.00 36.82 36.26 1sb0 h ILE 26 CO 0.05 0.26 -0.52 0.12 0.00 0.00 0.00 178.15 178.07 1sb0 s PHE 27 N -5.92 -0.96 0.04 1.37 2.19 0.12 -4.88 117.98 109.94 1sb0 s PHE 27 Ca -0.12 0.48 -0.30 0.00 0.33 0.00 0.00 56.93 57.31 1sb0 s PHE 27 Cb 0.17 -0.10 -0.07 0.00 -1.31 0.00 0.00 43.02 41.71 1sb0 s PHE 27 CO 0.82 -0.91 1.54 -1.25 1.83 0.00 0.00 175.22 177.26 1sb0 s PRO 28 N 2.55 4.23 -0.12 10.12 0.04 -1.07 -3.49 135.00 147.26 1sb0 s PRO 28 Ca 0.11 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 1sb0 s PRO 28 Cb -0.13 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1sb0 s PRO 28 CO -0.26 -0.67 1.53 0.95 0.04 0.00 0.00 177.00 178.60 1sb0 s THR 29 N 2.53 3.81 0.23 1.26 -4.23 -1.26 -4.93 115.64 113.06 1sb0 s THR 29 Ca 0.70 0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 62.11 1sb0 s THR 29 Cb -0.36 -3.66 0.19 0.00 1.34 0.00 0.00 72.50 70.01 1sb0 s THR 29 CO 0.30 -0.13 1.79 -0.65 -0.54 0.00 0.00 174.62 175.38 1sb0 h PRO 30 N 9.40 0.65 -1.86 3.99 0.11 -1.98 -3.45 132.00 138.86 1sb0 h PRO 30 Ca -0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1sb0 h PRO 30 Cb 1.15 -0.15 -0.21 0.00 0.11 0.00 0.00 31.00 31.90 1sb0 h PRO 30 CO 0.97 0.43 0.29 0.34 -0.21 0.00 0.00 178.00 179.82 1sb0 s ASP 31 N -5.53 -0.59 0.29 -2.05 -1.08 -1.26 -5.02 116.67 101.42 1sb0 s ASP 31 Ca -0.12 0.80 0.02 0.00 -0.52 0.00 0.00 52.55 52.73 1sb0 s ASP 31 Cb 0.19 0.70 0.73 0.00 -1.46 0.00 0.00 42.92 43.07 1sb0 s ASP 31 CO 0.77 -0.43 1.64 -0.65 0.52 0.00 0.00 175.17 177.02 1sb0 h PRO 32 N 3.41 0.18 -0.52 4.34 0.11 -2.04 0.13 132.00 137.62 1sb0 h PRO 32 Ca -0.26 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.97 1sb0 h PRO 32 Cb 1.15 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1sb0 h PRO 32 CO 0.28 0.12 0.36 0.00 -0.21 0.00 0.00 178.00 178.55 1sb0 h ALA 33 N 1.80 2.28 -0.13 -0.75 0.00 -2.00 -0.70 119.26 119.75 1sb0 h ALA 33 Ca 0.56 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.50 1sb0 h ALA 33 Cb 1.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1sb0 h ALA 33 CO -0.68 -0.41 0.15 0.00 0.00 0.00 0.00 179.25 178.31 1sb0 h ALA 34 N 1.74 1.72 0.00 0.00 0.00 -1.12 -0.64 119.26 120.96 1sb0 h ALA 34 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sb0 h ALA 34 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1sb0 h ALA 34 CO -0.04 -0.22 0.06 -0.07 0.00 0.00 0.00 179.25 178.99 1sb0 h LEU 35 N 0.00 0.00 -1.98 0.00 3.38 -1.23 0.02 115.31 115.49 1sb0 h LEU 35 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sb0 h LEU 35 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sb0 h LEU 35 CO -0.00 0.00 -0.03 0.11 0.09 0.00 0.00 178.44 178.61 1sb0 h LYS 36 N 0.00 0.00 -7.10 1.13 1.57 -1.31 -3.28 116.57 107.59 1sb0 h LYS 36 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1sb0 h LYS 36 Cb 0.13 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.58 1sb0 h LYS 36 CO 0.00 0.03 0.52 0.34 -0.57 0.00 0.00 179.45 179.77 1sb0 s ASP 37 N -5.64 4.87 0.05 0.86 2.15 -0.01 -4.82 116.67 114.12 1sb0 s ASP 37 Ca -0.01 2.58 -0.25 0.00 0.43 0.00 0.00 52.55 55.30 1sb0 s ASP 37 Cb 0.11 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 1sb0 s ASP 37 CO 0.52 -1.83 1.52 0.03 -0.17 0.00 0.00 175.17 175.24 1sb0 h ARG 38 N 0.79 -0.18 -0.53 4.34 2.47 -1.89 0.16 114.38 119.53 1sb0 h ARG 38 Ca -0.51 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.23 1sb0 h ARG 38 Cb 1.32 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.65 1sb0 h ARG 38 CO 0.54 0.03 0.35 -0.09 0.56 0.00 0.00 179.97 181.36 1sb0 h ARG 39 N -0.37 0.69 0.12 0.04 9.65 -1.95 0.32 114.38 122.88 1sb0 h ARG 39 Ca -0.02 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1sb0 h ARG 39 Cb 0.30 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1sb0 h ARG 39 CO 0.03 0.46 -0.18 0.52 2.80 0.00 0.00 179.97 183.60 1sb0 h MET 40 N 0.71 -0.35 -0.95 0.20 2.86 -1.83 0.23 114.93 115.80 1sb0 h MET 40 Ca 0.20 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.99 1sb0 h MET 40 Cb -0.07 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 31.59 1sb0 h MET 40 CO -0.05 -0.23 0.57 1.49 1.06 0.00 0.00 176.91 179.75 1sb0 h GLU 41 N -0.36 0.86 -0.33 1.72 4.81 -0.13 0.34 114.58 121.50 1sb0 h GLU 41 Ca 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1sb0 h GLU 41 Cb 0.37 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1sb0 h GLU 41 CO -0.08 0.57 0.16 -0.91 -0.73 0.00 0.00 179.01 178.02 1sb0 h ASN 42 N 0.89 0.43 -0.64 1.04 2.35 -0.58 0.12 115.58 119.19 1sb0 h ASN 42 Ca 0.48 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 1sb0 h ASN 42 Cb 0.52 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1sb0 h ASN 42 CO -0.28 0.43 0.16 0.25 -1.65 0.00 0.00 177.43 176.34 1sb0 h LEU 43 N 0.40 0.99 -0.15 1.61 5.85 0.10 0.42 115.31 124.53 1sb0 h LEU 43 Ca 0.11 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1sb0 h LEU 43 Cb 0.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1sb0 h LEU 43 CO -0.02 0.95 0.07 0.58 -0.34 0.00 0.00 178.44 179.68 1sb0 h VAL 44 N 1.00 1.00 -0.34 1.05 2.07 -0.27 0.11 116.25 120.87 1sb0 h VAL 44 Ca 0.21 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.72 1sb0 h VAL 44 Cb 0.35 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1sb0 h VAL 44 CO 0.00 0.03 0.12 0.00 0.02 0.00 0.00 177.57 177.74 1sb0 h ALA 45 N 1.08 0.39 -0.21 1.67 0.00 -0.24 0.14 119.26 122.09 1sb0 h ALA 45 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 45 Cb 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1sb0 h ALA 45 CO -0.04 -0.28 -0.10 -0.92 0.00 0.00 0.00 179.25 177.91 1sb0 h TYR 46 N 0.26 -0.24 -0.38 0.00 3.20 -0.67 0.45 116.97 119.60 1sb0 h TYR 46 Ca 0.15 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1sb0 h TYR 46 Cb 0.13 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1sb0 h TYR 46 CO -0.14 -0.16 0.10 0.00 -1.64 0.00 0.00 178.16 176.32 1sb0 h ALA 47 N 1.10 0.42 0.06 1.82 0.00 -0.09 0.11 119.26 122.68 1sb0 h ALA 47 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1sb0 h ALA 47 Cb 0.24 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1sb0 h ALA 47 CO -0.26 -0.30 -0.19 0.87 0.00 0.00 0.00 179.25 179.37 1sb0 h LYS 48 N 0.23 -0.33 0.07 0.00 1.57 -0.40 0.13 116.57 117.84 1sb0 h LYS 48 Ca 0.18 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1sb0 h LYS 48 Cb 0.19 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1sb0 h LYS 48 CO -0.21 -0.22 -0.39 -0.22 -0.57 0.00 0.00 179.45 177.84 1sb0 h LYS 49 N -0.34 -0.56 -0.61 3.15 3.64 -0.39 0.78 116.57 122.24 1sb0 h LYS 49 Ca 0.04 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1sb0 h LYS 49 Cb 0.38 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1sb0 h LYS 49 CO -0.13 -0.38 0.27 -0.24 -2.27 0.00 0.00 179.45 176.70 1sb0 h VAL 50 N -0.59 1.22 -0.29 2.00 3.04 -0.70 0.10 116.25 121.04 1sb0 h VAL 50 Ca 0.04 -0.67 0.03 0.00 -1.01 0.00 0.00 66.70 65.09 1sb0 h VAL 50 Cb 0.64 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.42 1sb0 h VAL 50 CO -0.26 0.27 0.09 -0.08 -1.01 0.00 0.00 177.57 176.58 1sb0 h GLU 51 N 0.84 0.21 -0.25 4.17 4.22 -0.44 0.27 114.58 123.62 1sb0 h GLU 51 Ca 0.21 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.69 1sb0 h GLU 51 Cb 0.17 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1sb0 h GLU 51 CO -0.02 0.14 -0.08 0.78 -2.18 0.00 0.00 179.01 177.65 1sb0 h GLY 52 N 0.22 0.14 0.36 1.92 0.00 -0.37 0.14 103.07 105.49 1sb0 h GLY 52 Ca 0.13 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1sb0 h GLY 52 CO -0.14 -0.11 -0.12 -1.80 0.00 0.00 0.00 176.54 174.37 1sb0 h ASP 53 N -0.04 -0.40 -0.79 0.19 3.58 -0.23 0.10 116.42 118.84 1sb0 h ASP 53 Ca 0.12 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1sb0 h ASP 53 Cb 0.22 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1sb0 h ASP 53 CO -0.27 -0.15 0.46 0.24 -2.88 0.00 0.00 179.24 176.64 1sb0 h MET 54 N -0.08 1.08 -0.21 0.28 2.86 -0.62 0.25 114.93 118.49 1sb0 h MET 54 Ca 0.14 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1sb0 h MET 54 Cb 0.28 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 1sb0 h MET 54 CO -0.31 0.78 -0.13 -0.92 1.06 0.00 0.00 176.91 177.38 1sb0 h TYR 55 N 1.09 -0.32 -0.77 -0.22 5.03 0.29 0.27 116.97 122.33 1sb0 h TYR 55 Ca 0.28 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.57 1sb0 h TYR 55 Cb -0.02 0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 1sb0 h TYR 55 CO -0.00 -0.20 0.30 0.93 -1.32 0.00 0.00 178.16 177.88 1sb0 h GLU 56 N -0.12 1.16 -0.37 1.82 4.39 -0.70 -3.12 114.58 117.64 1sb0 h GLU 56 Ca 0.12 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1sb0 h GLU 56 Cb 0.30 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1sb0 h GLU 56 CO -0.29 0.95 -0.12 0.77 -1.16 0.00 0.00 179.01 179.16 1sb0 h SER 57 N 1.12 0.74 -2.87 1.42 0.02 -0.28 -3.44 113.55 110.27 1sb0 h SER 57 Ca 0.26 -0.38 -0.56 0.00 -0.84 0.00 0.00 61.79 60.27 1sb0 h SER 57 Cb 0.22 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1sb0 h SER 57 CO -0.02 0.95 0.91 0.00 -1.14 0.00 0.00 176.83 177.53 1sb0 s ALA 58 N -4.73 3.63 -0.41 3.77 0.00 0.88 -4.91 121.76 119.99 1sb0 s ALA 58 Ca -0.13 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.52 1sb0 s ALA 58 Cb 0.10 -3.63 0.58 0.00 0.00 0.00 0.00 23.12 20.16 1sb0 s ALA 58 CO 0.81 -1.15 1.50 -1.71 0.00 0.00 0.00 175.76 175.21 1sb0 n ASN 59 N 6.46 4.24 -3.56 0.00 5.15 -1.26 -4.86 115.26 121.42 1sb0 n ASN 59 Ca 0.14 -2.83 -0.13 0.00 -0.60 0.00 0.00 54.58 51.16 1sb0 n ASN 59 Cb 0.44 -0.67 -0.06 0.00 -0.53 0.00 0.00 39.78 38.97 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1sb0 s SER 60 N -0.61 -0.48 0.20 1.20 0.15 -1.26 -4.93 113.70 107.98 1sb0 s SER 60 Ca 0.41 0.57 -0.10 0.00 0.70 0.00 0.00 55.95 57.53 1sb0 s SER 60 Cb 0.32 0.46 0.27 0.00 -1.71 0.00 0.00 66.02 65.35 1sb0 s SER 60 CO 0.11 -0.41 1.73 -0.09 1.20 0.00 0.00 173.24 175.77 1sb0 h ARG 61 N 2.90 0.33 -0.72 5.44 2.43 -1.89 0.63 114.38 123.50 1sb0 h ARG 61 Ca -0.22 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1sb0 h ARG 61 Cb 1.16 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1sb0 h ARG 61 CO 0.31 0.22 0.42 -0.44 -1.51 0.00 0.00 179.97 178.97 1sb0 h ASP 62 N 0.34 0.88 0.35 -3.80 3.32 -1.99 0.54 116.42 116.06 1sb0 h ASP 62 Ca 0.30 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1sb0 h ASP 62 Cb 0.39 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1sb0 h ASP 62 CO -0.33 0.71 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.65 1sb0 h GLU 63 N 0.99 -0.45 -0.63 3.56 4.81 -1.81 -0.03 114.58 121.03 1sb0 h GLU 63 Ca 0.26 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 1sb0 h GLU 63 Cb 0.00 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.36 1sb0 h GLU 63 CO -0.04 -0.29 -0.22 -0.92 -0.73 0.00 0.00 179.01 176.81 1sb0 h TYR 64 N -0.48 -0.53 0.37 0.92 3.20 -0.34 0.18 116.97 120.29 1sb0 h TYR 64 Ca -0.05 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1sb0 h TYR 64 Cb 0.37 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1sb0 h TYR 64 CO -0.05 -0.32 -0.37 1.88 -1.64 0.00 0.00 178.16 177.66 1sb0 h TYR 65 N -0.06 -1.00 0.44 -3.82 0.05 -0.79 -2.48 116.97 109.31 1sb0 h TYR 65 Ca 0.29 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 1sb0 h TYR 65 Cb 0.51 0.39 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 1sb0 h TYR 65 CO -0.56 -0.52 -0.43 1.25 -1.05 0.00 0.00 178.16 176.85 1sb0 h HIS 66 N -0.77 -1.17 0.00 4.88 2.76 0.96 0.45 115.15 122.27 1sb0 h HIS 66 Ca -0.03 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1sb0 h HIS 66 Cb 0.69 0.45 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1sb0 h HIS 66 CO -0.21 -0.59 -0.26 1.37 -1.30 0.00 0.00 177.93 176.95 1sb0 h LEU 67 N -0.88 0.00 0.21 0.26 8.10 -0.85 0.87 115.31 123.03 1sb0 h LEU 67 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1sb0 h LEU 67 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 1sb0 h LEU 67 CO -0.06 0.26 -0.10 -0.07 -4.11 0.00 0.00 178.44 174.36 1sb0 h LEU 68 N 0.00 -0.24 -0.45 0.17 3.38 -1.07 0.77 115.31 117.86 1sb0 h LEU 68 Ca -0.00 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1sb0 h LEU 68 Cb 0.52 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1sb0 h LEU 68 CO 0.03 0.01 0.09 0.00 0.09 0.00 0.00 178.44 178.66 1sb0 h ALA 69 N 0.24 0.50 -0.17 1.53 0.00 -0.34 0.83 119.26 121.85 1sb0 h ALA 69 Ca -0.03 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1sb0 h ALA 69 Cb 0.37 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1sb0 h ALA 69 CO 0.05 -0.32 0.01 1.49 0.00 0.00 0.00 179.25 180.48 1sb0 h GLU 70 N 0.22 0.07 -0.21 0.00 4.57 -0.81 0.60 114.58 119.01 1sb0 h GLU 70 Ca 0.22 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 1sb0 h GLU 70 Cb 0.29 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 1sb0 h GLU 70 CO -0.30 0.05 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.26 1sb0 h LYS 71 N 0.07 -0.07 -0.27 1.92 1.63 -0.03 0.45 116.57 120.27 1sb0 h LYS 71 Ca 0.08 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1sb0 h LYS 71 Cb 0.09 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 1sb0 h LYS 71 CO -0.13 -0.05 -0.13 0.82 -3.45 0.00 0.00 179.45 176.51 1sb0 h ILE 72 N -0.07 0.59 -0.17 2.00 2.04 -0.56 0.94 117.51 122.29 1sb0 h ILE 72 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1sb0 h ILE 72 Cb 0.24 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1sb0 h ILE 72 CO -0.26 0.00 -0.35 0.22 0.00 0.00 0.00 178.15 177.76 1sb0 h TYR 73 N -0.10 -0.97 -0.15 1.37 5.03 0.03 0.15 116.97 122.33 1sb0 h TYR 73 Ca 0.14 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.53 1sb0 h TYR 73 Cb 0.31 0.45 -0.03 0.00 1.55 0.00 0.00 36.73 39.01 1sb0 h TYR 73 CO -0.32 -0.42 -0.04 0.87 -1.32 0.00 0.00 178.16 176.93 1sb0 h LYS 74 N -0.40 -0.01 -0.32 1.82 1.57 -0.58 -0.66 116.57 117.99 1sb0 h LYS 74 Ca 0.10 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1sb0 h LYS 74 Cb 0.57 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.80 1sb0 h LYS 74 CO -0.39 -0.01 -0.27 0.82 -0.57 0.00 0.00 179.45 179.03 1sb0 h ILE 75 N -0.01 0.32 -0.19 1.86 2.04 -0.12 0.13 117.51 121.54 1sb0 h ILE 75 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 75 Cb 0.12 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1sb0 h ILE 75 CO -0.16 0.00 0.07 1.56 0.00 0.00 0.00 178.15 179.63 1sb0 h GLN 76 N -0.24 0.17 0.37 2.37 1.08 -0.28 0.28 115.11 118.86 1sb0 h GLN 76 Ca 0.16 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1sb0 h GLN 76 Cb 0.49 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1sb0 h GLN 76 CO -0.46 0.11 -0.31 0.87 -0.95 0.00 0.00 178.83 178.09 1sb0 h LYS 77 N 0.17 -0.66 0.03 1.46 1.79 -0.69 -1.80 116.57 116.87 1sb0 h LYS 77 Ca 0.08 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1sb0 h LYS 77 Cb 0.04 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1sb0 h LYS 77 CO -0.08 -0.44 -0.02 0.93 -1.08 0.00 0.00 179.45 178.77 1sb0 h GLU 78 N -0.69 -0.04 0.00 3.15 4.39 -0.56 -3.27 114.58 117.55 1sb0 h GLU 78 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1sb0 h GLU 78 Cb 0.60 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1sb0 h GLU 78 CO -0.02 0.29 0.00 -0.11 -1.16 0.00 0.00 179.01 178.01 1sb0 n LEU 79 N -4.95 0.00 -0.30 1.33 7.94 0.96 -4.48 117.00 117.51 1sb0 n LEU 79 Ca -0.08 0.46 0.10 0.00 -1.11 0.00 0.00 56.01 55.37 1sb0 n LEU 79 Cb 0.19 -0.46 0.20 0.00 0.53 0.00 0.00 43.42 43.88 1sb0 n LEU 79 CO 0.33 -0.00 0.63 1.21 -1.11 0.00 0.00 177.39 178.45 1sb0 n GLU 80 N -1.46 -0.07 -0.19 1.96 4.07 -0.68 0.15 120.64 124.41 1sb0 n GLU 80 Ca 0.08 1.30 0.00 0.00 -0.06 0.00 0.00 57.16 58.49 1sb0 n GLU 80 Cb 0.32 -2.01 0.10 0.00 -0.06 0.00 0.00 31.44 29.79 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1sb0 h GLU 81 N 0.00 0.16 -0.07 5.31 4.39 -1.88 0.13 114.58 122.62 1sb0 h GLU 81 Ca 0.47 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.95 1sb0 h GLU 81 Cb 0.88 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1sb0 h GLU 81 CO -0.84 0.11 -0.83 -0.22 -1.16 0.00 0.00 179.01 176.07 1sb0 h LYS 82 N 0.16 0.54 -0.58 2.33 3.11 -0.60 0.80 116.57 122.34 1sb0 h LYS 82 Ca 0.31 -0.49 0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1sb0 h LYS 82 Cb 0.49 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1sb0 h LYS 82 CO -0.47 1.12 0.39 0.00 -2.81 0.00 0.00 179.45 177.67 1sb0 h ARG 83 N 0.35 0.40 0.24 1.90 3.08 -0.20 -1.83 114.38 118.32 1sb0 h ARG 83 Ca -0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1sb0 h ARG 83 Cb 1.44 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1sb0 h ARG 83 CO 0.15 0.27 -0.11 0.00 -1.07 0.00 0.00 179.97 179.20 1sb0 h ARG 84 N 0.41 -0.31 -3.05 0.04 3.08 -0.58 -3.38 114.38 110.60 1sb0 h ARG 84 Ca 0.26 0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.79 1sb0 h ARG 84 Cb 0.49 0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.63 1sb0 h ARG 84 CO -0.07 -0.03 3.15 0.45 -1.07 0.00 0.00 179.97 182.40 1sb0 n SER 85 N -4.99 7.33 -4.13 7.04 2.88 0.26 -4.85 113.62 117.16 1sb0 n SER 85 Ca -0.06 -2.48 -0.39 0.00 -1.33 0.00 0.00 58.87 54.61 1sb0 n SER 85 Cb 0.21 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.24 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 3.67 2.28 0.00 -1.46 1.74 -0.95 -4.77 116.66 117.16 1sb0 n ARG 86 Ca 0.66 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 1sb0 n ARG 86 Cb 0.25 -3.36 0.00 0.00 -1.02 0.00 0.00 32.46 28.34 1sb0 n ARG 86 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58