#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 3.43 -0.26 1.61 0.24 -1.26 -4.77 118.33 117.31 1sb0 n VAL 2 Ca 0.00 -2.11 0.07 0.00 -2.04 0.00 0.00 64.34 60.26 1sb0 n VAL 2 Cb 0.00 -2.41 0.21 0.00 -1.47 0.00 0.00 33.84 30.17 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 5.69 0.31 -0.38 7.34 0.11 -2.01 0.12 114.38 125.56 1sb0 h ARG 3 Ca 0.69 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.75 1sb0 h ARG 3 Cb 0.27 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1sb0 h ARG 3 CO 1.66 0.21 0.00 1.63 0.10 0.00 0.00 179.97 183.57 1sb0 n LYS 4 N -5.11 2.37 0.00 0.08 4.76 -1.26 -5.00 118.16 114.00 1sb0 n LYS 4 Ca 0.16 -2.08 0.00 0.00 -2.87 0.00 0.00 58.31 53.52 1sb0 n LYS 4 Cb 0.49 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 1.44 1.14 0.34 0.72 0.00 0.43 -4.09 105.19 105.18 1sb0 n GLY 5 Ca 0.19 0.18 0.18 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 -1.19 1.61 5.08 -1.91 0.37 115.95 119.91 1sb0 h TRP 6 Ca 0.00 0.00 0.34 0.00 1.08 0.00 0.00 58.89 60.31 1sb0 h TRP 6 Cb 0.00 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.08 1sb0 h TRP 6 CO 0.00 0.00 0.81 1.25 -1.28 0.00 0.00 178.44 179.22 1sb0 h HIS 7 N 0.00 0.31 -0.52 0.12 6.17 -1.86 0.97 115.15 120.35 1sb0 h HIS 7 Ca 0.06 0.01 0.15 0.00 0.71 0.00 0.00 60.37 61.30 1sb0 h HIS 7 Cb 0.49 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 1sb0 h HIS 7 CO 0.00 -0.01 0.42 1.05 0.71 0.00 0.00 177.93 180.10 1sb0 h GLU 8 N 0.16 0.00 0.00 5.26 4.11 -1.25 -2.18 114.58 120.68 1sb0 h GLU 8 Ca 0.63 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 60.03 1sb0 h GLU 8 Cb 2.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 1sb0 h GLU 8 CO -0.17 0.00 -0.38 0.45 0.07 0.00 0.00 179.01 178.98 1sb0 h HIS 9 N 0.00 0.00 -1.49 2.06 3.86 -1.03 -3.44 115.15 115.11 1sb0 h HIS 9 Ca 0.25 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.81 1sb0 h HIS 9 Cb 1.08 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.43 1sb0 h HIS 9 CO 0.00 0.33 1.42 0.08 0.86 0.00 0.00 177.93 180.61 1sb0 s VAL 10 N -2.02 4.24 0.72 2.45 1.01 -0.82 -4.98 120.40 121.01 1sb0 s VAL 10 Ca -0.12 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 1sb0 s VAL 10 Cb 0.01 -5.00 0.04 0.00 0.00 0.00 0.00 36.38 31.43 1sb0 s VAL 10 CO 0.25 -1.82 1.10 0.42 0.00 0.00 0.00 175.10 175.05 1sb0 s THR 11 N 4.03 3.01 0.28 3.92 -4.23 -1.25 -4.75 115.64 116.65 1sb0 s THR 11 Ca 0.43 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 1sb0 s THR 11 Cb -0.01 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.81 1sb0 s THR 11 CO -0.07 -0.40 1.67 1.56 -0.54 0.00 0.00 174.62 176.85 1sb0 h GLN 12 N -0.72 0.29 0.02 3.99 7.50 -1.94 0.07 115.11 124.32 1sb0 h GLN 12 Ca -0.45 -0.02 0.03 0.00 0.50 0.00 0.00 58.65 58.71 1sb0 h GLN 12 Cb 1.28 -0.07 -0.05 0.00 0.05 0.00 0.00 27.48 28.70 1sb0 h GLN 12 CO 0.64 0.19 -0.29 0.22 -1.50 0.00 0.00 178.83 178.09 1sb0 h ASP 13 N 0.30 -0.85 -0.61 1.46 3.58 -1.99 0.92 116.42 119.23 1sb0 h ASP 13 Ca 0.53 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 58.04 1sb0 h ASP 13 Cb 1.03 0.34 -0.03 0.00 1.72 0.00 0.00 39.33 42.40 1sb0 h ASP 13 CO -0.58 -0.36 0.17 0.25 -2.88 0.00 0.00 179.24 175.85 1sb0 h LEU 14 N -0.44 0.90 -0.23 2.28 5.85 -1.47 0.07 115.31 122.26 1sb0 h LEU 14 Ca 0.06 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1sb0 h LEU 14 Cb 0.52 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1sb0 h LEU 14 CO -0.23 0.88 -0.13 0.03 -0.34 0.00 0.00 178.44 178.65 1sb0 h ARG 15 N 0.87 -0.10 -0.08 1.25 3.08 -0.75 0.17 114.38 118.81 1sb0 h ARG 15 Ca 0.19 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1sb0 h ARG 15 Cb 0.32 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1sb0 h ARG 15 CO -0.00 -0.07 0.05 1.03 -1.07 0.00 0.00 179.97 179.91 1sb0 h SER 16 N -0.11 0.09 -0.81 7.04 0.87 -0.41 0.79 113.55 121.02 1sb0 h SER 16 Ca 0.13 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1sb0 h SER 16 Cb 0.30 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1sb0 h SER 16 CO -0.30 0.07 0.48 -0.74 -0.53 0.00 0.00 176.83 175.81 1sb0 h HIS 17 N 0.10 1.07 -0.16 2.24 -0.00 -0.70 0.12 115.15 117.82 1sb0 h HIS 17 Ca 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1sb0 h HIS 17 Cb -0.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.04 1sb0 h HIS 17 CO -0.07 0.73 0.10 -0.07 -0.00 0.00 0.00 177.93 178.61 1sb0 h LEU 18 N 1.11 0.19 -0.55 0.26 3.38 -0.36 0.01 115.31 119.35 1sb0 h LEU 18 Ca 0.29 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1sb0 h LEU 18 Cb -0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 1sb0 h LEU 18 CO -0.05 0.17 -0.14 0.58 0.09 0.00 0.00 178.44 179.09 1sb0 h VAL 19 N 0.19 0.45 -0.29 1.22 2.07 -0.32 0.18 116.25 119.75 1sb0 h VAL 19 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 19 Cb 0.01 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 1sb0 h VAL 19 CO -0.01 0.00 -0.14 -0.74 0.02 0.00 0.00 177.57 176.70 1sb0 h HIS 20 N -0.00 -0.34 -0.86 1.57 -0.00 -0.50 -0.22 115.15 114.80 1sb0 h HIS 20 Ca 0.26 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.75 1sb0 h HIS 20 Cb 0.40 0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.95 1sb0 h HIS 20 CO -0.46 -0.21 0.56 0.87 -0.00 0.00 0.00 177.93 178.69 1sb0 h LYS 21 N -0.10 0.87 0.24 5.26 1.79 0.80 0.92 116.57 126.36 1sb0 h LYS 21 Ca 0.15 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1sb0 h LYS 21 Cb 0.33 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1sb0 h LYS 21 CO -0.36 0.58 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.32 1sb0 h LEU 22 N 0.90 -0.52 -0.24 2.94 3.38 0.49 0.16 115.31 122.42 1sb0 h LEU 22 Ca 0.38 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.46 1sb0 h LEU 22 Cb 0.32 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1sb0 h LEU 22 CO -0.15 -0.30 -0.21 0.58 0.09 0.00 0.00 178.44 178.45 1sb0 h VAL 23 N -0.46 0.45 -0.05 1.22 2.07 0.07 -0.16 116.25 119.40 1sb0 h VAL 23 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1sb0 h VAL 23 Cb 0.41 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1sb0 h VAL 23 CO -0.02 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.05 1sb0 h GLN 24 N -0.20 -0.11 -0.78 1.57 1.08 -0.70 0.42 115.11 116.38 1sb0 h GLN 24 Ca 0.14 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1sb0 h GLN 24 Cb 0.41 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 1sb0 h GLN 24 CO -0.36 -0.07 0.50 0.00 -0.95 0.00 0.00 178.83 177.94 1sb0 h ALA 25 N 0.91 1.41 0.03 3.87 0.00 -0.11 -0.55 119.26 124.83 1sb0 h ALA 25 Ca 0.05 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1sb0 h ALA 25 Cb 0.18 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.67 1sb0 h ALA 25 CO -0.11 0.53 -0.92 0.82 0.00 0.00 0.00 179.25 179.57 1sb0 h ILE 26 N 1.06 1.34 -1.64 0.00 2.04 -0.88 -3.45 117.51 115.99 1sb0 h ILE 26 Ca 0.28 -2.25 -0.27 0.00 1.00 0.00 0.00 64.86 63.63 1sb0 h ILE 26 Cb -0.09 2.57 -0.27 0.00 -0.74 0.00 0.00 36.82 38.29 1sb0 h ILE 26 CO -0.06 0.68 -0.61 0.12 0.00 0.00 0.00 178.15 178.28 1sb0 s PHE 27 N -3.15 -0.76 0.01 1.37 2.19 0.14 -5.10 117.98 112.69 1sb0 s PHE 27 Ca -0.11 -0.46 -0.32 0.00 0.33 0.00 0.00 56.93 56.37 1sb0 s PHE 27 Cb 0.05 -0.17 -0.10 0.00 -1.31 0.00 0.00 43.02 41.48 1sb0 s PHE 27 CO 0.88 -1.04 1.91 -2.30 1.83 0.00 0.00 175.22 176.51 1sb0 n PRO 28 N 4.32 2.60 -2.76 10.12 -0.02 -0.28 -3.86 135.00 145.12 1sb0 n PRO 28 Ca 0.11 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.12 1sb0 n PRO 28 Cb 0.49 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 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 3.91 4.80 0.34 3.45 -4.23 -1.26 -4.94 115.64 117.72 1sb0 s THR 29 Ca 0.89 1.90 0.13 0.00 -1.18 0.00 0.00 61.69 63.43 1sb0 s THR 29 Cb -0.54 -4.25 0.34 0.00 1.34 0.00 0.00 72.50 69.39 1sb0 s THR 29 CO 0.44 -0.01 1.73 -0.65 -0.54 0.00 0.00 174.62 175.59 1sb0 h PRO 30 N 7.22 0.47 -3.11 3.99 0.11 -2.01 -3.40 132.00 135.27 1sb0 h PRO 30 Ca -0.29 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.61 1sb0 h PRO 30 Cb 1.13 -0.11 -0.27 0.00 0.11 0.00 0.00 31.00 31.86 1sb0 h PRO 30 CO 0.87 0.31 -0.46 0.34 -0.21 0.00 0.00 178.00 178.85 1sb0 s ASP 31 N -5.15 -0.25 0.31 -2.05 -1.08 -1.26 -5.04 116.67 102.15 1sb0 s ASP 31 Ca -0.10 0.49 0.07 0.00 -0.52 0.00 0.00 52.55 52.49 1sb0 s ASP 31 Cb 0.27 0.45 0.86 0.00 -1.46 0.00 0.00 42.92 43.03 1sb0 s ASP 31 CO 0.80 -0.11 1.66 -0.65 0.52 0.00 0.00 175.17 177.39 1sb0 h PRO 32 N 6.34 0.29 -0.28 4.34 0.11 -2.02 0.57 132.00 141.36 1sb0 h PRO 32 Ca -0.32 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.86 1sb0 h PRO 32 Cb 1.18 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1sb0 h PRO 32 CO 0.37 0.19 0.34 0.00 -0.21 0.00 0.00 178.00 178.70 1sb0 h ALA 33 N 1.79 1.89 0.00 -0.75 0.00 -1.97 -0.14 119.26 120.08 1sb0 h ALA 33 Ca 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 1sb0 h ALA 33 Cb 1.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1sb0 h ALA 33 CO -0.61 -0.49 -0.10 0.00 0.00 0.00 0.00 179.25 178.06 1sb0 h ALA 34 N 1.57 1.25 -1.05 0.00 0.00 -1.29 -3.27 119.26 116.47 1sb0 h ALA 34 Ca 0.13 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.24 1sb0 h ALA 34 Cb 0.82 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1sb0 h ALA 34 CO -0.00 0.12 0.65 -0.07 0.00 0.00 0.00 179.25 179.95 1sb0 h LEU 35 N 0.00 0.51 0.00 0.00 3.38 -1.17 0.16 115.31 118.20 1sb0 h LEU 35 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sb0 h LEU 35 Cb 0.31 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sb0 h LEU 35 CO 0.01 0.04 0.00 2.29 0.09 0.00 0.00 178.44 180.87 1sb0 n LYS 36 N -4.77 0.36 -1.91 1.13 2.85 -1.23 -3.56 118.16 111.03 1sb0 n LYS 36 Ca 0.28 0.04 -0.39 0.00 -1.05 0.00 0.00 58.31 57.18 1sb0 n LYS 36 Cb 0.90 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.80 1sb0 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1sb0 s ASP 37 N -2.59 5.90 0.33 -5.58 -1.08 0.04 -4.68 116.67 109.02 1sb0 s ASP 37 Ca 0.25 2.76 0.10 0.00 -0.52 0.00 0.00 52.55 55.14 1sb0 s ASP 37 Cb 0.18 -2.64 1.01 0.00 -1.46 0.00 0.00 42.92 40.01 1sb0 s ASP 37 CO 0.41 -1.14 1.59 0.03 0.52 0.00 0.00 175.17 176.57 1sb0 h ARG 38 N 2.23 0.04 0.38 4.34 2.47 -1.90 0.11 114.38 122.05 1sb0 h ARG 38 Ca -0.50 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.19 1sb0 h ARG 38 Cb 1.27 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1sb0 h ARG 38 CO 0.61 0.03 -0.18 0.00 0.56 0.00 0.00 179.97 180.98 1sb0 h ARG 39 N 0.05 -0.50 -0.87 0.04 3.08 -1.95 -3.35 114.38 110.89 1sb0 h ARG 39 Ca 0.71 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.93 1sb0 h ARG 39 Cb 1.66 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 31.74 1sb0 h ARG 39 CO -0.81 -0.23 0.47 0.52 -1.07 0.00 0.00 179.97 178.85 1sb0 h MET 40 N -1.04 0.68 -1.12 0.04 2.86 -1.30 -1.67 114.93 113.38 1sb0 h MET 40 Ca -0.05 -0.04 0.33 0.00 -2.06 0.00 0.00 59.70 57.88 1sb0 h MET 40 Cb 0.50 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 31.89 1sb0 h MET 40 CO 0.09 0.45 0.71 0.93 1.06 0.00 0.00 176.91 180.15 1sb0 h GLU 41 N 0.70 0.28 -0.06 1.72 5.08 -0.92 0.16 114.58 121.54 1sb0 h GLU 41 Ca 0.46 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1sb0 h GLU 41 Cb 0.59 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1sb0 h GLU 41 CO -0.33 0.18 0.01 -0.91 -1.00 0.00 0.00 179.01 176.97 1sb0 h ASN 42 N 0.29 0.10 -0.59 1.42 2.35 -1.46 0.93 115.58 118.62 1sb0 h ASN 42 Ca 0.69 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 56.13 1sb0 h ASN 42 Cb 1.87 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 40.19 1sb0 h ASN 42 CO -0.40 0.33 0.12 0.25 -1.65 0.00 0.00 177.43 176.08 1sb0 h LEU 43 N -0.14 0.91 -0.07 1.61 5.85 -0.94 0.65 115.31 123.19 1sb0 h LEU 43 Ca 0.02 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1sb0 h LEU 43 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1sb0 h LEU 43 CO 0.00 0.93 -0.13 0.58 -0.34 0.00 0.00 178.44 179.48 1sb0 h VAL 44 N 0.86 0.65 -0.39 1.05 2.07 -0.75 0.11 116.25 119.86 1sb0 h VAL 44 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1sb0 h VAL 44 Cb 0.39 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1sb0 h VAL 44 CO 0.01 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.69 1sb0 h ALA 45 N 0.83 0.43 -0.16 1.67 0.00 -0.39 0.95 119.26 122.59 1sb0 h ALA 45 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1sb0 h ALA 45 Cb 0.29 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1sb0 h ALA 45 CO -0.18 -0.31 -0.12 -0.92 0.00 0.00 0.00 179.25 177.72 1sb0 h TYR 46 N 0.23 -0.30 -0.36 0.00 3.20 -0.52 0.54 116.97 119.74 1sb0 h TYR 46 Ca 0.18 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1sb0 h TYR 46 Cb 0.21 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1sb0 h TYR 46 CO -0.18 -0.18 0.16 0.00 -1.64 0.00 0.00 178.16 176.32 1sb0 h ALA 47 N 0.98 0.44 0.07 1.82 0.00 -0.09 0.13 119.26 122.61 1sb0 h ALA 47 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 47 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1sb0 h ALA 47 CO -0.24 -0.22 -0.26 0.87 0.00 0.00 0.00 179.25 179.40 1sb0 h LYS 48 N 0.34 -0.43 -0.05 0.00 1.57 -0.56 0.60 116.57 118.04 1sb0 h LYS 48 Ca 0.16 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1sb0 h LYS 48 Cb 0.09 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1sb0 h LYS 48 CO -0.13 -0.29 -0.27 -0.22 -0.57 0.00 0.00 179.45 177.98 1sb0 h LYS 49 N -0.45 -0.37 -0.33 3.15 3.64 -0.37 0.60 116.57 122.45 1sb0 h LYS 49 Ca 0.04 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1sb0 h LYS 49 Cb 0.50 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1sb0 h LYS 49 CO -0.19 -0.24 0.17 -0.24 -2.27 0.00 0.00 179.45 176.68 1sb0 h VAL 50 N -0.38 1.14 -0.48 2.00 3.04 -0.62 0.12 116.25 121.07 1sb0 h VAL 50 Ca 0.08 -0.38 0.05 0.00 -1.01 0.00 0.00 66.70 65.44 1sb0 h VAL 50 Cb 0.49 0.79 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 1sb0 h VAL 50 CO -0.27 0.14 0.21 -0.08 -1.01 0.00 0.00 177.57 176.57 1sb0 h GLU 51 N 0.40 0.40 -0.05 4.17 4.22 -0.59 0.52 114.58 123.66 1sb0 h GLU 51 Ca 0.11 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.57 1sb0 h GLU 51 Cb 0.07 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1sb0 h GLU 51 CO -0.02 0.27 -0.24 0.78 -2.18 0.00 0.00 179.01 177.62 1sb0 h GLY 52 N 0.42 -0.32 0.06 1.92 0.00 -0.39 0.12 103.07 104.87 1sb0 h GLY 52 Ca 0.22 0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.93 1sb0 h GLY 52 CO -0.19 -0.20 -0.15 -1.80 0.00 0.00 0.00 176.54 174.20 1sb0 h ASP 53 N -0.35 -0.52 -0.38 0.19 3.58 -0.07 0.23 116.42 119.10 1sb0 h ASP 53 Ca 0.08 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1sb0 h ASP 53 Cb 0.46 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1sb0 h ASP 53 CO -0.25 -0.18 0.24 0.24 -2.88 0.00 0.00 179.24 176.41 1sb0 h MET 54 N -0.05 0.51 -0.30 0.28 2.86 -0.61 0.37 114.93 118.00 1sb0 h MET 54 Ca 0.21 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1sb0 h MET 54 Cb 0.37 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1sb0 h MET 54 CO -0.47 0.36 -0.10 -0.92 1.06 0.00 0.00 176.91 176.83 1sb0 h TYR 55 N 0.50 -0.24 -0.59 -0.22 5.03 0.51 0.28 116.97 122.25 1sb0 h TYR 55 Ca 0.14 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 1sb0 h TYR 55 Cb -0.03 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 1sb0 h TYR 55 CO -0.04 -0.17 0.13 0.93 -1.32 0.00 0.00 178.16 177.69 1sb0 h GLU 56 N -0.04 0.95 -0.34 1.82 4.39 -0.80 -3.03 114.58 117.52 1sb0 h GLU 56 Ca 0.15 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1sb0 h GLU 56 Cb 0.27 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1sb0 h GLU 56 CO -0.33 0.88 -0.14 0.77 -1.16 0.00 0.00 179.01 179.03 1sb0 h SER 57 N 0.86 0.58 -2.82 1.42 0.02 -0.21 -3.44 113.55 109.96 1sb0 h SER 57 Ca 0.18 -0.17 -0.56 0.00 -0.84 0.00 0.00 61.79 60.41 1sb0 h SER 57 Cb 0.37 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1sb0 h SER 57 CO 0.00 0.75 1.19 0.00 -1.14 0.00 0.00 176.83 177.64 1sb0 s ALA 58 N -4.71 2.84 0.41 3.77 0.00 0.93 -4.89 121.76 120.11 1sb0 s ALA 58 Ca -0.08 -0.10 0.13 0.00 0.00 0.00 0.00 51.96 51.91 1sb0 s ALA 58 Cb 0.14 -4.03 0.98 0.00 0.00 0.00 0.00 23.12 20.21 1sb0 s ALA 58 CO 0.80 -2.74 1.93 -2.95 0.00 0.00 0.00 175.76 172.80 1sb0 h ASN 59 N 12.16 0.45 -5.30 0.00 7.08 -1.87 -3.45 115.58 124.66 1sb0 h ASN 59 Ca -0.30 0.02 -0.14 0.00 -3.08 0.00 0.00 56.30 52.81 1sb0 h ASN 59 Cb 1.14 -0.07 -0.15 0.00 -2.08 0.00 0.00 38.32 37.16 1sb0 h ASN 59 CO 1.09 0.25 -0.58 -0.94 -2.08 0.00 0.00 177.43 175.16 1sb0 s SER 60 N -6.00 0.32 0.20 6.14 1.04 -1.26 -4.92 113.70 109.22 1sb0 s SER 60 Ca -0.08 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.23 1sb0 s SER 60 Cb 0.21 0.28 0.18 0.00 0.10 0.00 0.00 66.02 66.79 1sb0 s SER 60 CO 0.77 -0.70 1.81 -0.09 0.98 0.00 0.00 173.24 176.01 1sb0 h ARG 61 N 2.92 0.64 -0.30 4.02 2.43 -1.90 0.92 114.38 123.11 1sb0 h ARG 61 Ca -0.34 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.86 1sb0 h ARG 61 Cb 1.18 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.51 1sb0 h ARG 61 CO 0.60 0.43 -0.25 0.22 -1.51 0.00 0.00 179.97 179.46 1sb0 h ASP 62 N 0.66 -0.81 0.07 -3.80 3.58 -1.99 0.63 116.42 114.77 1sb0 h ASP 62 Ca 0.26 0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.88 1sb0 h ASP 62 Cb 0.11 0.39 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1sb0 h ASP 62 CO -0.14 -0.28 -0.21 -0.08 -2.88 0.00 0.00 179.24 175.65 1sb0 h GLU 63 N -0.22 -0.36 -0.55 0.28 4.57 -1.82 0.18 114.58 116.65 1sb0 h GLU 63 Ca 0.16 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.47 1sb0 h GLU 63 Cb 0.47 0.08 -0.11 0.00 -0.16 0.00 0.00 28.75 29.03 1sb0 h GLU 63 CO -0.43 -0.24 -0.19 -0.92 -1.18 0.00 0.00 179.01 176.05 1sb0 h TYR 64 N -0.37 -0.44 0.20 0.92 3.20 -0.19 0.17 116.97 120.45 1sb0 h TYR 64 Ca 0.04 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1sb0 h TYR 64 Cb 0.42 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1sb0 h TYR 64 CO -0.22 -0.28 -0.10 1.88 -1.64 0.00 0.00 178.16 177.80 1sb0 h TYR 65 N -0.05 -0.25 0.26 -3.82 -1.99 -0.69 -2.37 116.97 108.06 1sb0 h TYR 65 Ca 0.26 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 1sb0 h TYR 65 Cb 0.46 0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.24 1sb0 h TYR 65 CO -0.50 -0.13 -0.41 1.25 -0.00 0.00 0.00 178.16 178.37 1sb0 h HIS 66 N -0.29 -1.15 0.00 4.88 2.76 0.56 0.05 115.15 121.96 1sb0 h HIS 66 Ca -0.03 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1sb0 h HIS 66 Cb 0.23 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1sb0 h HIS 66 CO -0.06 -0.50 -0.24 1.37 -1.30 0.00 0.00 177.93 177.20 1sb0 h LEU 67 N -0.70 0.00 0.28 0.26 8.10 -0.82 0.12 115.31 122.56 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 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1sb0 h LEU 67 CO -0.13 0.24 -0.14 -0.07 -4.11 0.00 0.00 178.44 174.24 1sb0 h LEU 68 N 0.00 -0.32 -0.47 0.17 3.38 -1.19 0.12 115.31 117.01 1sb0 h LEU 68 Ca -0.00 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1sb0 h LEU 68 Cb 0.45 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1sb0 h LEU 68 CO 0.03 0.01 0.17 0.00 0.09 0.00 0.00 178.44 178.75 1sb0 h ALA 69 N -0.08 0.57 -0.61 1.53 0.00 -0.65 -0.33 119.26 119.68 1sb0 h ALA 69 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1sb0 h ALA 69 Cb 0.47 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1sb0 h ALA 69 CO 0.06 -0.21 0.37 1.49 0.00 0.00 0.00 179.25 180.96 1sb0 h GLU 70 N 0.35 0.71 0.06 0.00 4.57 -0.76 0.47 114.58 119.99 1sb0 h GLU 70 Ca 0.22 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1sb0 h GLU 70 Cb 0.21 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1sb0 h GLU 70 CO -0.22 0.47 -0.18 -0.22 -1.18 0.00 0.00 179.01 177.69 1sb0 h LYS 71 N 0.73 -0.31 -0.18 1.92 1.63 0.05 0.19 116.57 120.61 1sb0 h LYS 71 Ca 0.25 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 1sb0 h LYS 71 Cb 0.02 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.66 1sb0 h LYS 71 CO -0.10 -0.21 -0.29 0.82 -3.45 0.00 0.00 179.45 176.22 1sb0 h ILE 72 N -0.32 0.33 -0.23 2.00 2.04 -0.69 -0.23 117.51 120.42 1sb0 h ILE 72 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 72 Cb 0.36 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1sb0 h ILE 72 CO -0.13 0.00 -0.15 0.22 0.00 0.00 0.00 178.15 178.10 1sb0 h TYR 73 N -0.33 -0.37 -0.27 1.37 5.03 -0.59 -0.04 116.97 121.77 1sb0 h TYR 73 Ca 0.11 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.51 1sb0 h TYR 73 Cb 0.51 0.20 -0.07 0.00 1.55 0.00 0.00 36.73 38.92 1sb0 h TYR 73 CO -0.40 -0.22 -0.18 0.87 -1.32 0.00 0.00 178.16 176.91 1sb0 h LYS 74 N -0.14 -0.15 0.22 1.82 1.79 -0.25 0.22 116.57 120.09 1sb0 h LYS 74 Ca 0.13 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1sb0 h LYS 74 Cb 0.33 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1sb0 h LYS 74 CO -0.31 -0.10 -0.38 0.82 -1.08 0.00 0.00 179.45 178.40 1sb0 h ILE 75 N -0.16 0.23 -0.17 1.86 2.04 0.04 0.40 117.51 121.75 1sb0 h ILE 75 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1sb0 h ILE 75 Cb 0.38 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1sb0 h ILE 75 CO -0.37 0.00 0.16 1.56 0.00 0.00 0.00 178.15 179.50 1sb0 h GLN 76 N -0.68 0.00 0.00 2.37 1.08 -0.62 0.01 115.11 117.28 1sb0 h GLN 76 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sb0 h GLN 76 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1sb0 h GLN 76 CO -0.16 0.00 -0.00 0.87 -0.95 0.00 0.00 178.83 178.59 1sb0 h LYS 77 N 0.00 -0.00 -0.71 1.46 1.79 0.15 -3.34 116.57 115.92 1sb0 h LYS 77 Ca 0.08 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.70 1sb0 h LYS 77 Cb 0.40 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.93 1sb0 h LYS 77 CO -0.00 -0.00 -0.06 0.93 -1.08 0.00 0.00 179.45 179.24 1sb0 h GLU 78 N -0.02 0.06 0.55 3.15 4.39 -0.01 0.10 114.58 122.81 1sb0 h GLU 78 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1sb0 h GLU 78 Cb 0.00 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1sb0 h GLU 78 CO 0.00 0.04 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.56 1sb0 h LEU 79 N 0.06 -0.63 -0.67 1.33 -0.00 -1.18 -2.31 115.31 111.92 1sb0 h LEU 79 Ca 0.37 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.39 1sb0 h LEU 79 Cb 0.61 0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 41.34 1sb0 h LEU 79 CO -0.66 -0.36 0.21 -0.33 -0.00 0.00 0.00 178.44 177.30 1sb0 h GLU 80 N -0.91 0.34 -0.00 1.13 3.07 -1.61 -1.19 114.58 115.41 1sb0 h GLU 80 Ca -0.08 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1sb0 h GLU 80 Cb 0.57 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1sb0 h GLU 80 CO 0.12 0.22 -0.00 -0.85 -1.40 0.00 0.00 179.01 177.11 1sb0 n GLU 81 N -5.07 1.05 -0.29 2.33 0.28 0.34 -4.20 120.64 115.09 1sb0 n GLU 81 Ca 0.11 -0.11 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1sb0 n GLU 81 Cb 0.36 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 31.99 1sb0 n GLU 81 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1sb0 h LYS 82 N 0.28 0.20 -0.80 3.44 3.64 -0.61 0.36 116.57 123.08 1sb0 h LYS 82 Ca 0.00 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.56 1sb0 h LYS 82 Cb 0.07 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.72 1sb0 h LYS 82 CO 0.00 0.14 0.20 -0.09 -2.27 0.00 0.00 179.45 177.42 1sb0 h ARG 83 N 0.21 0.24 -0.08 1.90 2.43 -1.80 0.10 114.38 117.37 1sb0 h ARG 83 Ca 0.52 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.54 1sb0 h ARG 83 Cb 1.00 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1sb0 h ARG 83 CO -0.63 0.16 -0.47 0.00 -1.51 0.00 0.00 179.97 177.52 1sb0 h ARG 84 N 0.25 0.46 -0.83 0.20 3.08 -0.67 -3.27 114.38 113.58 1sb0 h ARG 84 Ca 0.47 -0.38 0.18 0.00 0.07 0.00 0.00 59.98 60.32 1sb0 h ARG 84 Cb 0.87 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 1sb0 h ARG 84 CO -0.58 1.02 0.55 0.77 -1.07 0.00 0.00 179.97 180.67 1sb0 h SER 85 N 0.01 0.39 -0.62 7.04 0.02 0.31 0.11 113.55 120.81 1sb0 h SER 85 Ca -0.04 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 61.12 1sb0 h SER 85 Cb 1.12 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1sb0 h SER 85 CO 0.10 0.18 0.44 0.03 -1.14 0.00 0.00 176.83 176.44 1sb0 h ARG 86 N 0.40 0.02 0.00 3.45 -0.00 -1.09 -3.51 114.38 113.66 1sb0 h ARG 86 Ca 0.42 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.90 1sb0 h ARG 86 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.99 1sb0 h ARG 86 CO -0.14 0.01 0.00 -0.11 0.00 0.00 0.00 179.97 179.73