#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb0 s VAL 2 N 0.00 3.18 0.31 1.61 -7.23 -1.26 -4.83 120.40 112.18 1sb0 s VAL 2 Ca 0.00 0.13 0.06 0.00 -1.81 0.00 0.00 61.98 60.36 1sb0 s VAL 2 Cb 0.00 -3.40 0.07 0.00 0.56 0.00 0.00 36.38 33.62 1sb0 s VAL 2 CO 0.00 -0.36 1.75 0.03 -0.31 0.00 0.00 175.10 176.22 1sb0 h ARG 3 N 16.71 0.32 -4.99 4.82 2.47 -2.01 -3.44 114.38 128.27 1sb0 h ARG 3 Ca -0.28 -0.12 -0.33 0.00 -1.26 0.00 0.00 59.98 57.99 1sb0 h ARG 3 Cb 1.22 -0.02 -0.19 0.00 -1.65 0.00 0.00 29.97 29.33 1sb0 h ARG 3 CO 1.14 0.59 -0.74 0.15 0.56 0.00 0.00 179.97 181.67 1sb0 s LYS 4 N -4.38 0.79 0.18 0.04 -0.14 -1.26 -5.04 119.74 109.94 1sb0 s LYS 4 Ca -0.05 -1.06 -0.17 0.00 -1.36 0.00 0.00 55.97 53.33 1sb0 s LYS 4 Cb 0.14 -0.56 0.14 0.00 -1.68 0.00 0.00 37.83 35.87 1sb0 s LYS 4 CO 0.77 0.10 1.64 0.78 -0.76 0.00 0.00 175.35 177.88 1sb0 h GLY 5 N 3.86 0.27 2.00 -3.33 0.00 -1.91 0.21 103.07 104.17 1sb0 h GLY 5 Ca -0.38 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1sb0 h GLY 5 CO 0.48 -0.20 -0.00 0.11 0.00 0.00 0.00 176.54 176.93 1sb0 h TRP 6 N -0.04 0.00 -0.58 5.60 5.08 -1.97 -2.48 115.95 121.55 1sb0 h TRP 6 Ca 0.23 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.31 1sb0 h TRP 6 Cb 0.40 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.52 1sb0 h TRP 6 CO -0.44 0.00 0.40 1.25 -1.28 0.00 0.00 178.44 178.37 1sb0 h HIS 7 N 0.00 0.33 -1.13 0.12 2.76 -1.30 -0.40 115.15 115.53 1sb0 h HIS 7 Ca -0.00 0.01 0.42 0.00 -2.20 0.00 0.00 60.37 58.60 1sb0 h HIS 7 Cb 0.03 -0.11 -0.14 0.00 1.55 0.00 0.00 27.41 28.74 1sb0 h HIS 7 CO 0.00 0.15 0.69 -1.91 -1.30 0.00 0.00 177.93 175.55 1sb0 n GLU 8 N -4.45 -0.04 -0.14 5.26 2.13 -0.93 -1.20 120.64 121.25 1sb0 n GLU 8 Ca 0.10 1.20 0.08 0.00 0.66 0.00 0.00 57.16 59.20 1sb0 n GLU 8 Cb 0.44 -2.28 0.15 0.00 0.27 0.00 0.00 31.44 30.02 1sb0 n GLU 8 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sb0 n HIS 9 N -4.77 0.38 -3.94 4.31 8.25 -0.16 -4.92 115.22 114.37 1sb0 n HIS 9 Ca 0.36 -0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 57.24 1sb0 n HIS 9 Cb 1.34 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 32.28 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 -1.15 1.48 0.71 1.59 1.01 -0.34 -5.13 120.40 118.57 1sb0 s VAL 10 Ca 0.27 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1sb0 s VAL 10 Cb 0.16 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1sb0 s VAL 10 CO 0.22 -0.01 1.08 0.42 0.00 0.00 0.00 175.10 176.81 1sb0 s THR 11 N 1.43 3.65 0.18 3.92 -4.23 -1.26 -4.90 115.64 114.44 1sb0 s THR 11 Ca -0.04 0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 1sb0 s THR 11 Cb -0.18 -3.47 0.09 0.00 1.34 0.00 0.00 72.50 70.28 1sb0 s THR 11 CO -0.07 -0.70 1.82 -0.61 -0.54 0.00 0.00 174.62 174.52 1sb0 h GLN 12 N -0.68 0.81 -0.42 3.99 5.75 -1.99 -0.51 115.11 122.06 1sb0 h GLN 12 Ca -0.45 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.06 1sb0 h GLN 12 Cb 1.24 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 29.56 1sb0 h GLN 12 CO 0.62 0.58 0.02 0.22 -2.65 0.00 0.00 178.83 177.62 1sb0 h ASP 13 N 0.81 -0.12 0.09 -0.69 3.58 -1.98 0.20 116.42 118.31 1sb0 h ASP 13 Ca 0.22 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.77 1sb0 h ASP 13 Cb -0.03 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1sb0 h ASP 13 CO -0.04 -0.03 -0.13 0.25 -2.88 0.00 0.00 179.24 176.41 1sb0 h LEU 14 N 0.14 -0.36 -0.54 2.28 5.85 -1.81 0.12 115.31 120.99 1sb0 h LEU 14 Ca 0.21 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.07 1sb0 h LEU 14 Cb 0.29 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1sb0 h LEU 14 CO -0.33 -0.20 0.04 0.03 -0.34 0.00 0.00 178.44 177.65 1sb0 h ARG 15 N -0.27 0.16 -0.43 1.25 3.08 -0.62 0.14 114.38 117.68 1sb0 h ARG 15 Ca 0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1sb0 h ARG 15 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1sb0 h ARG 15 CO -0.06 0.10 0.24 0.77 -1.07 0.00 0.00 179.97 179.95 1sb0 h SER 16 N 0.16 0.53 0.22 7.04 0.02 -0.10 1.00 113.55 122.42 1sb0 h SER 16 Ca 0.28 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 1sb0 h SER 16 Cb 0.42 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1sb0 h SER 16 CO -0.42 0.46 -0.46 -0.74 -1.14 0.00 0.00 176.83 174.53 1sb0 h HIS 17 N 0.56 0.36 -0.22 3.45 -0.00 -0.34 0.35 115.15 119.31 1sb0 h HIS 17 Ca 0.15 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1sb0 h HIS 17 Cb 0.04 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1sb0 h HIS 17 CO -0.02 0.71 0.10 -0.07 -0.00 0.00 0.00 177.93 178.65 1sb0 h LEU 18 N 0.24 0.30 -0.58 0.26 3.38 -0.19 0.16 115.31 118.88 1sb0 h LEU 18 Ca 0.02 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1sb0 h LEU 18 Cb 0.91 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1sb0 h LEU 18 CO 0.07 0.35 0.07 0.58 0.09 0.00 0.00 178.44 179.61 1sb0 h VAL 19 N 0.23 0.60 -0.43 1.22 2.07 -0.58 0.58 116.25 119.94 1sb0 h VAL 19 Ca 0.08 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1sb0 h VAL 19 Cb 0.14 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1sb0 h VAL 19 CO -0.01 0.04 0.01 -0.74 0.02 0.00 0.00 177.57 176.88 1sb0 h HIS 20 N 0.19 -0.02 -0.57 1.57 -0.00 -0.21 0.31 115.15 116.43 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 0.46 0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.88 1sb0 h HIS 20 CO -0.29 -0.08 0.26 0.87 -0.00 0.00 0.00 177.93 178.69 1sb0 h LYS 21 N 0.12 0.47 -0.08 5.26 1.79 0.53 0.11 116.57 124.77 1sb0 h LYS 21 Ca 0.21 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.69 1sb0 h LYS 21 Cb 0.30 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 1sb0 h LYS 21 CO -0.35 0.31 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.07 1sb0 h LEU 22 N 0.49 -0.59 -0.35 2.94 3.38 0.06 0.17 115.31 121.40 1sb0 h LEU 22 Ca 0.27 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.40 1sb0 h LEU 22 Cb 0.24 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1sb0 h LEU 22 CO -0.22 -0.25 -0.11 0.58 0.09 0.00 0.00 178.44 178.53 1sb0 h VAL 23 N -0.27 0.61 -0.22 1.22 2.07 -0.13 -0.47 116.25 119.06 1sb0 h VAL 23 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1sb0 h VAL 23 Cb 0.39 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1sb0 h VAL 23 CO -0.24 0.00 0.14 1.56 0.02 0.00 0.00 177.57 179.05 1sb0 h GLN 24 N -0.02 0.28 -0.55 1.57 1.08 -0.27 0.56 115.11 117.77 1sb0 h GLN 24 Ca 0.17 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1sb0 h GLN 24 Cb 0.29 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 1sb0 h GLN 24 CO -0.38 0.19 0.18 0.00 -0.95 0.00 0.00 178.83 177.86 1sb0 h ALA 25 N 1.09 1.28 0.20 3.87 0.00 -0.12 -1.02 119.26 124.55 1sb0 h ALA 25 Ca 0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1sb0 h ALA 25 Cb -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.56 1sb0 h ALA 25 CO -0.02 0.52 -1.39 0.82 0.00 0.00 0.00 179.25 179.18 1sb0 h ILE 26 N 0.80 1.37 -1.28 0.00 2.04 -0.93 -3.46 117.51 116.05 1sb0 h ILE 26 Ca 0.18 -2.86 -0.14 0.00 1.00 0.00 0.00 64.86 63.04 1sb0 h ILE 26 Cb 0.23 3.00 -0.23 0.00 -0.74 0.00 0.00 36.82 39.07 1sb0 h ILE 26 CO -0.01 0.85 -0.51 0.12 0.00 0.00 0.00 178.15 178.60 1sb0 s PHE 27 N -2.62 -1.34 -0.27 1.37 2.19 0.20 -5.09 117.98 112.42 1sb0 s PHE 27 Ca -0.07 0.03 -0.36 0.00 0.33 0.00 0.00 56.93 56.86 1sb0 s PHE 27 Cb 0.05 0.11 -0.12 0.00 -1.31 0.00 0.00 43.02 41.75 1sb0 s PHE 27 CO 0.92 -1.11 2.01 -2.30 1.83 0.00 0.00 175.22 176.57 1sb0 n PRO 28 N 4.48 1.37 -2.88 10.12 -0.02 -0.44 -3.77 135.00 143.88 1sb0 n PRO 28 Ca 0.10 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 1sb0 n PRO 28 Cb 0.53 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1sb0 n PRO 28 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sb0 s THR 29 N 5.67 4.87 0.15 3.45 2.01 -1.26 -4.97 115.64 125.56 1sb0 s THR 29 Ca 1.03 1.77 -0.11 0.00 0.31 0.00 0.00 61.69 64.69 1sb0 s THR 29 Cb -0.86 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 67.46 1sb0 s THR 29 CO 0.54 0.24 1.55 1.55 -0.69 0.00 0.00 174.62 177.81 1sb0 h PRO 30 N 6.47 0.94 -2.37 4.92 0.13 -2.00 -3.45 132.00 136.65 1sb0 h PRO 30 Ca -0.42 -0.37 -0.08 0.00 -0.87 0.00 0.00 66.00 64.26 1sb0 h PRO 30 Cb 1.21 -0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1sb0 h PRO 30 CO 0.74 1.04 -0.05 0.34 -0.23 0.00 0.00 178.00 179.84 1sb0 s ASP 31 N -6.59 -0.59 0.30 1.44 -1.08 -1.26 -5.05 116.67 103.84 1sb0 s ASP 31 Ca -0.12 1.13 0.02 0.00 -0.52 0.00 0.00 52.55 53.06 1sb0 s ASP 31 Cb 0.12 1.14 0.74 0.00 -1.46 0.00 0.00 42.92 43.46 1sb0 s ASP 31 CO 0.85 -0.21 1.60 -0.65 0.52 0.00 0.00 175.17 177.29 1sb0 h PRO 32 N 5.20 0.08 -0.67 4.34 0.11 -2.04 0.11 132.00 139.13 1sb0 h PRO 32 Ca -0.28 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.98 1sb0 h PRO 32 Cb 1.17 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1sb0 h PRO 32 CO 0.15 0.05 0.46 0.00 -0.21 0.00 0.00 178.00 178.45 1sb0 h ALA 33 N 1.89 2.29 -0.07 -0.75 0.00 -2.01 -0.38 119.26 120.23 1sb0 h ALA 33 Ca 0.58 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.50 1sb0 h ALA 33 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sb0 h ALA 33 CO -0.80 -0.48 0.09 0.00 0.00 0.00 0.00 179.25 178.06 1sb0 h ALA 34 N 1.68 1.59 -0.03 0.00 0.00 -1.18 -1.53 119.26 119.78 1sb0 h ALA 34 Ca 0.32 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1sb0 h ALA 34 Cb 0.94 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sb0 h ALA 34 CO -0.07 -0.13 0.17 -0.07 0.00 0.00 0.00 179.25 179.15 1sb0 h LEU 35 N 0.00 0.00 -1.95 0.00 3.38 -1.18 -0.02 115.31 115.54 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 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 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 -7.09 1.13 1.57 -1.48 -3.32 116.57 107.38 1sb0 h LYS 36 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 1sb0 h LYS 36 Cb 0.35 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.78 1sb0 h LYS 36 CO -0.00 0.00 0.49 0.34 -0.57 0.00 0.00 179.45 179.71 1sb0 s ASP 37 N -5.35 5.13 0.08 0.86 2.15 -0.02 -4.85 116.67 114.67 1sb0 s ASP 37 Ca -0.01 2.46 -0.19 0.00 0.43 0.00 0.00 52.55 55.25 1sb0 s ASP 37 Cb 0.10 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 40.03 1sb0 s ASP 37 CO 0.47 -1.64 1.51 -0.09 -0.17 0.00 0.00 175.17 175.25 1sb0 h ARG 38 N 0.92 0.44 -0.26 4.34 9.65 -1.89 0.16 114.38 127.74 1sb0 h ARG 38 Ca -0.51 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.21 1sb0 h ARG 38 Cb 1.30 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 1sb0 h ARG 38 CO 0.55 0.63 0.09 -0.09 2.80 0.00 0.00 179.97 183.95 1sb0 h ARG 39 N 0.20 0.40 -0.09 0.20 2.43 -1.95 0.34 114.38 115.91 1sb0 h ARG 39 Ca 0.07 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1sb0 h ARG 39 Cb 0.44 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1sb0 h ARG 39 CO 0.02 0.46 -0.23 0.52 -1.51 0.00 0.00 179.97 179.22 1sb0 h MET 40 N 0.27 -0.30 -0.95 0.20 2.86 -1.85 -1.27 114.93 113.89 1sb0 h MET 40 Ca 0.09 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.89 1sb0 h MET 40 Cb 0.22 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 1sb0 h MET 40 CO -0.00 -0.20 0.56 1.49 1.06 0.00 0.00 176.91 179.81 1sb0 h GLU 41 N -0.31 0.79 -0.24 1.72 4.81 -0.21 0.27 114.58 121.42 1sb0 h GLU 41 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1sb0 h GLU 41 Cb 0.44 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1sb0 h GLU 41 CO -0.27 0.52 0.15 -0.91 -0.73 0.00 0.00 179.01 177.76 1sb0 h ASN 42 N 0.81 0.28 -0.56 1.04 2.35 -0.42 0.11 115.58 119.20 1sb0 h ASN 42 Ca 0.50 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.19 1sb0 h ASN 42 Cb 0.64 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1sb0 h ASN 42 CO -0.32 0.24 0.25 0.25 -1.65 0.00 0.00 177.43 176.20 1sb0 h LEU 43 N 0.30 0.75 -0.28 1.61 5.85 0.24 0.03 115.31 123.81 1sb0 h LEU 43 Ca 0.09 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1sb0 h LEU 43 Cb 0.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1sb0 h LEU 43 CO -0.02 0.69 -0.06 0.58 -0.34 0.00 0.00 178.44 179.29 1sb0 h VAL 44 N 0.76 0.73 -0.30 1.05 2.07 -0.42 0.13 116.25 120.26 1sb0 h VAL 44 Ca 0.19 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1sb0 h VAL 44 Cb 0.15 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1sb0 h VAL 44 CO -0.02 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.64 1sb0 h ALA 45 N 1.27 0.32 -0.28 1.67 0.00 -0.27 0.14 119.26 122.10 1sb0 h ALA 45 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1sb0 h ALA 45 Cb 0.20 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1sb0 h ALA 45 CO -0.28 -0.34 -0.01 -0.92 0.00 0.00 0.00 179.25 177.70 1sb0 h TYR 46 N 0.18 -0.04 -0.46 0.00 3.20 -0.50 0.38 116.97 119.73 1sb0 h TYR 46 Ca 0.14 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1sb0 h TYR 46 Cb 0.14 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1sb0 h TYR 46 CO -0.16 -0.06 0.28 0.00 -1.64 0.00 0.00 178.16 176.58 1sb0 h ALA 47 N 1.25 0.59 0.02 1.82 0.00 -0.13 0.11 119.26 122.92 1sb0 h ALA 47 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 47 Cb 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1sb0 h ALA 47 CO -0.24 -0.02 -0.17 0.87 0.00 0.00 0.00 179.25 179.70 1sb0 h LYS 48 N 0.57 -0.27 0.06 0.00 1.57 -0.43 0.59 116.57 118.65 1sb0 h LYS 48 Ca 0.18 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1sb0 h LYS 48 Cb -0.01 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1sb0 h LYS 48 CO -0.07 -0.18 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.07 1sb0 h LYS 49 N -0.28 -0.51 -0.40 3.15 3.64 -0.42 0.86 116.57 122.61 1sb0 h LYS 49 Ca 0.05 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1sb0 h LYS 49 Cb 0.34 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1sb0 h LYS 49 CO -0.15 -0.34 0.22 -0.24 -2.27 0.00 0.00 179.45 176.68 1sb0 h VAL 50 N -0.53 1.15 -0.59 2.00 3.04 -0.68 0.95 116.25 121.59 1sb0 h VAL 50 Ca 0.05 -0.37 0.08 0.00 -1.01 0.00 0.00 66.70 65.44 1sb0 h VAL 50 Cb 0.59 0.66 -0.06 0.00 -2.01 0.00 0.00 31.29 30.47 1sb0 h VAL 50 CO -0.24 0.15 0.26 -0.08 -1.01 0.00 0.00 177.57 176.65 1sb0 h GLU 51 N 0.52 0.46 -0.02 4.17 4.22 -0.63 0.67 114.58 123.97 1sb0 h GLU 51 Ca 0.14 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.59 1sb0 h GLU 51 Cb 0.05 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1sb0 h GLU 51 CO -0.02 0.30 -0.26 0.78 -2.18 0.00 0.00 179.01 177.63 1sb0 h GLY 52 N 0.47 -0.38 0.18 1.92 0.00 -0.08 0.17 103.07 105.35 1sb0 h GLY 52 Ca 0.29 0.31 0.09 0.00 0.00 0.00 0.00 47.33 48.01 1sb0 h GLY 52 CO -0.25 -0.21 -0.07 -1.80 0.00 0.00 0.00 176.54 174.21 1sb0 h ASP 53 N -0.38 -0.33 -0.61 0.19 3.58 -0.06 0.08 116.42 118.89 1sb0 h ASP 53 Ca 0.07 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1sb0 h ASP 53 Cb 0.48 0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 1sb0 h ASP 53 CO -0.24 -0.11 0.39 0.24 -2.88 0.00 0.00 179.24 176.63 1sb0 h MET 54 N 0.04 0.81 -0.17 0.28 2.86 -0.56 0.38 114.93 118.57 1sb0 h MET 54 Ca 0.22 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 1sb0 h MET 54 Cb 0.33 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1sb0 h MET 54 CO -0.42 0.56 -0.10 -0.92 1.06 0.00 0.00 176.91 177.08 1sb0 h TYR 55 N 0.82 -0.25 -0.53 -0.22 5.03 0.59 0.31 116.97 122.72 1sb0 h TYR 55 Ca 0.22 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 1sb0 h TYR 55 Cb -0.06 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1sb0 h TYR 55 CO -0.03 -0.16 0.09 0.93 -1.32 0.00 0.00 178.16 177.67 1sb0 h GLU 56 N -0.10 0.83 -0.44 1.82 4.39 -0.75 -2.82 114.58 117.51 1sb0 h GLU 56 Ca 0.10 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 1sb0 h GLU 56 Cb 0.25 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1sb0 h GLU 56 CO -0.23 0.78 -0.19 0.77 -1.16 0.00 0.00 179.01 178.97 1sb0 h SER 57 N 0.79 0.93 -2.18 1.42 0.02 -0.35 -3.44 113.55 110.75 1sb0 h SER 57 Ca 0.17 -0.40 -0.52 0.00 -0.84 0.00 0.00 61.79 60.20 1sb0 h SER 57 Cb 0.35 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1sb0 h SER 57 CO 0.01 1.12 1.36 0.00 -1.14 0.00 0.00 176.83 178.17 1sb0 s ALA 58 N -4.67 2.35 0.16 3.77 0.00 0.11 -4.84 121.76 118.63 1sb0 s ALA 58 Ca -0.12 -0.29 0.27 0.00 0.00 0.00 0.00 51.96 51.82 1sb0 s ALA 58 Cb 0.11 -4.21 1.08 0.00 0.00 0.00 0.00 23.12 20.10 1sb0 s ALA 58 CO 0.85 -3.53 1.89 -0.91 0.00 0.00 0.00 175.76 174.06 1sb0 h ASN 59 N 14.72 0.00 -5.39 0.00 -0.26 -1.85 -3.45 115.58 119.35 1sb0 h ASN 59 Ca -0.28 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.31 1sb0 h ASN 59 Cb 1.17 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.30 1sb0 h ASN 59 CO 1.15 0.16 -0.44 -0.55 -1.06 0.00 0.00 177.43 176.70 1sb0 s SER 60 N -6.07 0.10 0.12 5.81 0.15 -1.26 -4.87 113.70 107.68 1sb0 s SER 60 Ca 0.00 -1.10 -0.18 0.00 0.70 0.00 0.00 55.95 55.37 1sb0 s SER 60 Cb 0.10 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1sb0 s SER 60 CO 0.61 -0.89 1.71 -0.09 1.20 0.00 0.00 173.24 175.78 1sb0 h ARG 61 N 2.58 0.43 -0.45 5.44 2.43 -1.94 -0.02 114.38 122.85 1sb0 h ARG 61 Ca -0.33 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 58.88 1sb0 h ARG 61 Cb 1.23 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.60 1sb0 h ARG 61 CO 0.49 0.39 -0.28 0.38 -1.51 0.00 0.00 179.97 179.44 1sb0 h ASP 62 N 0.36 -0.95 0.04 -3.80 3.04 -1.99 0.06 116.42 113.18 1sb0 h ASP 62 Ca 0.11 0.19 0.02 0.00 -3.24 0.00 0.00 57.03 54.10 1sb0 h ASP 62 Cb 0.09 0.47 -0.02 0.00 -1.04 0.00 0.00 39.33 38.83 1sb0 h ASP 62 CO -0.02 -0.29 -0.13 -0.08 -2.04 0.00 0.00 179.24 176.69 1sb0 h GLU 63 N -0.19 -0.23 -0.65 4.15 4.81 -1.88 -0.02 114.58 120.58 1sb0 h GLU 63 Ca 0.20 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.57 1sb0 h GLU 63 Cb 0.51 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.82 1sb0 h GLU 63 CO -0.56 -0.15 -0.22 -0.92 -0.73 0.00 0.00 179.01 176.43 1sb0 h TYR 64 N -0.24 -0.51 -0.02 0.92 3.20 0.05 0.17 116.97 120.54 1sb0 h TYR 64 Ca 0.03 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1sb0 h TYR 64 Cb 0.28 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1sb0 h TYR 64 CO -0.17 -0.32 0.00 1.88 -1.64 0.00 0.00 178.16 177.91 1sb0 h TYR 65 N -0.05 0.03 0.37 -3.82 0.05 -0.83 -2.82 116.97 109.90 1sb0 h TYR 65 Ca 0.30 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 1sb0 h TYR 65 Cb 0.51 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1sb0 h TYR 65 CO -0.57 0.23 -0.50 1.25 -1.05 0.00 0.00 178.16 177.52 1sb0 h HIS 66 N -0.18 -1.40 -0.05 4.88 2.76 0.59 -0.08 115.15 121.68 1sb0 h HIS 66 Ca 0.01 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1sb0 h HIS 66 Cb 0.21 0.56 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1sb0 h HIS 66 CO -0.00 -0.63 -0.29 1.37 -1.30 0.00 0.00 177.93 177.08 1sb0 h LEU 67 N -0.89 0.08 0.15 0.26 8.10 -0.84 0.19 115.31 122.35 1sb0 h LEU 67 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 1sb0 h LEU 67 Cb 0.81 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 1sb0 h LEU 67 CO -0.13 0.37 -0.07 -0.07 -4.11 0.00 0.00 178.44 174.43 1sb0 h LEU 68 N 0.08 -0.17 -0.57 0.17 3.38 -1.33 0.84 115.31 117.71 1sb0 h LEU 68 Ca 0.01 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1sb0 h LEU 68 Cb 0.55 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1sb0 h LEU 68 CO 0.04 0.12 0.30 0.00 0.09 0.00 0.00 178.44 178.98 1sb0 h ALA 69 N 0.34 0.74 -0.22 1.53 0.00 -0.63 -0.92 119.26 120.09 1sb0 h ALA 69 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sb0 h ALA 69 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1sb0 h ALA 69 CO 0.03 -0.04 0.02 1.49 0.00 0.00 0.00 179.25 180.76 1sb0 h GLU 70 N 0.57 0.10 -0.21 0.00 4.57 -0.60 0.47 114.58 119.48 1sb0 h GLU 70 Ca 0.25 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1sb0 h GLU 70 Cb 0.15 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.65 1sb0 h GLU 70 CO -0.17 0.06 -0.23 -0.22 -1.18 0.00 0.00 179.01 177.28 1sb0 h LYS 71 N 0.10 -0.24 -0.18 1.92 1.63 -0.18 0.15 116.57 119.76 1sb0 h LYS 71 Ca 0.10 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 1sb0 h LYS 71 Cb 0.11 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 1sb0 h LYS 71 CO -0.15 -0.16 -0.20 0.82 -3.45 0.00 0.00 179.45 176.30 1sb0 h ILE 72 N -0.25 0.47 -0.16 2.00 2.04 -0.82 0.07 117.51 120.87 1sb0 h ILE 72 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1sb0 h ILE 72 Cb 0.44 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1sb0 h ILE 72 CO -0.36 0.00 -0.14 0.22 0.00 0.00 0.00 178.15 177.88 1sb0 h TYR 73 N -0.23 -0.35 -0.13 1.37 5.03 -0.14 0.04 116.97 122.55 1sb0 h TYR 73 Ca 0.12 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.48 1sb0 h TYR 73 Cb 0.41 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 1sb0 h TYR 73 CO -0.34 -0.21 -0.06 0.87 -1.32 0.00 0.00 178.16 177.11 1sb0 h LYS 74 N -0.16 -0.05 -0.13 1.82 1.57 -0.50 0.26 116.57 119.39 1sb0 h LYS 74 Ca 0.10 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1sb0 h LYS 74 Cb 0.31 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1sb0 h LYS 74 CO -0.25 -0.03 -0.50 0.82 -0.57 0.00 0.00 179.45 178.91 1sb0 h ILE 75 N -0.05 0.05 0.03 1.86 2.04 -0.22 0.18 117.51 121.39 1sb0 h ILE 75 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1sb0 h ILE 75 Cb 0.16 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1sb0 h ILE 75 CO -0.16 0.00 -0.31 1.56 0.00 0.00 0.00 178.15 179.24 1sb0 h GLN 76 N -0.56 -0.46 -0.39 2.37 1.08 -0.73 0.16 115.11 116.59 1sb0 h GLN 76 Ca 0.05 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1sb0 h GLN 76 Cb 0.67 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.15 1sb0 h GLN 76 CO -0.42 -0.31 0.08 0.87 -0.95 0.00 0.00 178.83 178.10 1sb0 h LYS 77 N -0.48 0.20 -0.22 1.46 1.79 -0.57 0.74 116.57 119.50 1sb0 h LYS 77 Ca 0.05 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 1sb0 h LYS 77 Cb 0.55 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1sb0 h LYS 77 CO -0.24 0.13 -0.13 0.93 -1.08 0.00 0.00 179.45 179.07 1sb0 h GLU 78 N 0.21 0.47 -0.11 3.15 4.39 -0.46 -3.34 114.58 118.89 1sb0 h GLU 78 Ca 0.18 -0.21 -0.24 0.00 0.34 0.00 0.00 59.36 59.44 1sb0 h GLU 78 Cb 0.22 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1sb0 h GLU 78 CO -0.24 0.76 -0.85 1.25 -1.16 0.00 0.00 179.01 178.77 1sb0 h LEU 79 N 0.17 0.92 -6.45 1.33 5.85 -0.39 -3.33 115.31 113.40 1sb0 h LEU 79 Ca 0.05 -0.64 -0.65 0.00 0.84 0.00 0.00 57.88 57.47 1sb0 h LEU 79 Cb 0.63 -0.27 0.03 0.00 0.37 0.00 0.00 40.66 41.42 1sb0 h LEU 79 CO 0.04 1.44 2.43 -0.62 -0.34 0.00 0.00 178.44 181.39 1sb0 n GLU 80 N -3.91 1.82 -0.38 1.25 1.02 0.23 -4.77 120.64 115.89 1sb0 n GLU 80 Ca -0.08 -2.05 0.31 0.00 -0.02 0.00 0.00 57.16 55.31 1sb0 n GLU 80 Cb 0.79 -3.04 0.60 0.00 -0.02 0.00 0.00 31.44 29.77 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sb0 h GLU 81 N 7.56 0.21 -0.79 3.49 5.08 -1.81 0.18 114.58 128.50 1sb0 h GLU 81 Ca 0.45 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.97 1sb0 h GLU 81 Cb 0.68 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.74 1sb0 h GLU 81 CO 1.91 0.14 -0.02 0.87 -1.00 0.00 0.00 179.01 180.91 1sb0 h LYS 82 N 0.21 0.08 0.01 2.33 6.56 -1.93 1.00 116.57 124.83 1sb0 h LYS 82 Ca 0.68 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 60.29 1sb0 h LYS 82 Cb 2.07 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 33.66 1sb0 h LYS 82 CO -0.29 0.05 -0.48 -0.09 -2.06 0.00 0.00 179.45 176.59 1sb0 h ARG 83 N 0.08 -0.61 -0.70 3.15 9.65 -0.95 0.43 114.38 125.44 1sb0 h ARG 83 Ca 0.43 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.34 1sb0 h ARG 83 Cb 0.76 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1sb0 h ARG 83 CO -0.71 -0.41 0.38 0.00 2.80 0.00 0.00 179.97 182.03 1sb0 h ARG 84 N -0.64 0.97 -0.23 0.20 3.08 -1.36 -2.25 114.38 114.14 1sb0 h ARG 84 Ca 0.03 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1sb0 h ARG 84 Cb 0.70 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1sb0 h ARG 84 CO -0.33 0.71 0.10 0.66 -1.07 0.00 0.00 179.97 180.04 1sb0 h SER 85 N 0.97 0.32 -0.03 7.04 4.64 -0.33 -3.04 113.55 123.12 1sb0 h SER 85 Ca 0.25 -0.15 -0.67 0.00 -0.47 0.00 0.00 61.79 60.75 1sb0 h SER 85 Cb 0.02 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.05 1sb0 h SER 85 CO -0.04 0.38 3.83 0.54 -0.87 0.00 0.00 176.83 180.66 1sb0 n ARG 86 N -4.81 3.72 0.00 4.77 5.12 0.10 -5.09 116.66 120.46 1sb0 n ARG 86 Ca -0.03 -2.24 0.00 0.00 -1.93 0.00 0.00 57.85 53.65 1sb0 n ARG 86 Cb 0.11 -2.80 0.00 0.00 -1.16 0.00 0.00 32.46 28.61 1sb0 n ARG 86 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17