#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 4.92 0.00 1.61 -7.23 -1.26 -4.93 120.40 113.50 1sb0 s VAL 2 Ca 0.00 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1sb0 s VAL 2 Cb 0.00 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1sb0 s VAL 2 CO 0.00 -0.84 0.00 0.54 -0.31 0.00 0.00 175.10 174.49 1sb0 n ARG 3 N -2.23 0.00 -0.09 4.82 5.12 -1.26 -0.15 116.66 122.86 1sb0 n ARG 3 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 1sb0 n ARG 3 Cb 0.55 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.91 1sb0 n ARG 3 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1sb0 n LYS 4 N 0.00 1.39 0.00 5.56 4.76 -1.26 -4.92 118.16 123.69 1sb0 n LYS 4 Ca 0.00 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 1sb0 n LYS 4 Cb 0.00 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.55 1.31 0.38 0.72 0.00 0.78 -4.38 105.19 104.56 1sb0 n GLY 5 Ca 0.04 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.67 -1.01 1.61 5.08 -1.91 0.13 115.95 120.52 1sb0 h TRP 6 Ca 0.00 0.02 0.41 0.00 1.08 0.00 0.00 58.89 60.40 1sb0 h TRP 6 Cb 0.00 -0.21 -0.17 0.00 -3.00 0.00 0.00 29.16 25.78 1sb0 h TRP 6 CO 0.00 0.21 0.56 0.72 -1.28 0.00 0.00 178.44 178.65 1sb0 n HIS 7 N -4.54 1.08 -0.29 0.12 8.25 -1.26 -1.19 115.22 117.39 1sb0 n HIS 7 Ca 0.18 1.09 0.23 0.00 -0.26 0.00 0.00 57.72 58.96 1sb0 n HIS 7 Cb 0.58 -1.50 0.54 0.00 1.12 0.00 0.00 29.99 30.73 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 0.33 -0.52 -0.41 4.81 -1.26 0.85 114.58 118.39 1sb0 h GLU 8 Ca 0.83 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.04 1sb0 h GLU 8 Cb 2.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.55 1sb0 h GLU 8 CO -0.71 0.22 0.00 -2.39 -0.73 0.00 0.00 179.01 175.40 1sb0 n HIS 9 N -4.53 1.26 -3.77 0.92 1.44 -0.33 -4.70 115.22 105.51 1sb0 n HIS 9 Ca 0.23 -0.66 -0.29 0.00 -2.01 0.00 0.00 57.72 54.99 1sb0 n HIS 9 Cb 0.86 -0.24 -0.13 0.00 0.12 0.00 0.00 29.99 30.60 1sb0 n HIS 9 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1sb0 s VAL 10 N -1.98 1.75 0.53 0.61 1.01 0.29 -5.09 120.40 117.52 1sb0 s VAL 10 Ca 0.45 -2.90 -0.04 0.00 0.00 0.00 0.00 61.98 59.49 1sb0 s VAL 10 Cb 0.31 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1sb0 s VAL 10 CO 0.19 -0.90 0.82 0.42 0.00 0.00 0.00 175.10 175.63 1sb0 s THR 11 N 0.02 4.09 0.31 3.92 -4.23 -1.26 -4.81 115.64 113.68 1sb0 s THR 11 Ca 0.19 -0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1sb0 s THR 11 Cb -0.21 -3.58 0.35 0.00 1.34 0.00 0.00 72.50 70.39 1sb0 s THR 11 CO -0.02 -0.55 1.62 -0.61 -0.54 0.00 0.00 174.62 174.51 1sb0 h GLN 12 N 0.06 0.13 -0.38 3.99 -0.00 -1.98 0.66 115.11 117.58 1sb0 h GLN 12 Ca -0.46 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.14 1sb0 h GLN 12 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.68 1sb0 h GLN 12 CO 0.60 0.08 0.08 0.22 0.00 0.00 0.00 178.83 179.81 1sb0 h ASP 13 N 0.13 0.59 -0.38 -0.69 3.58 -1.98 0.21 116.42 117.87 1sb0 h ASP 13 Ca 0.63 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 1sb0 h ASP 13 Cb 1.38 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1sb0 h ASP 13 CO -0.74 0.69 0.13 0.25 -2.88 0.00 0.00 179.24 176.68 1sb0 h LEU 14 N 0.47 0.55 -0.55 2.28 5.85 -1.34 0.20 115.31 122.76 1sb0 h LEU 14 Ca 0.12 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1sb0 h LEU 14 Cb 0.34 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1sb0 h LEU 14 CO 0.00 0.59 0.16 0.03 -0.34 0.00 0.00 178.44 178.89 1sb0 h ARG 15 N 0.47 0.31 -0.08 1.25 3.08 -0.74 0.16 114.38 118.82 1sb0 h ARG 15 Ca 0.12 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1sb0 h ARG 15 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1sb0 h ARG 15 CO -0.01 0.20 -0.03 0.77 -1.07 0.00 0.00 179.97 179.84 1sb0 h SER 16 N 0.32 -0.11 -0.47 7.04 0.02 -0.14 0.95 113.55 121.17 1sb0 h SER 16 Ca 0.28 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1sb0 h SER 16 Cb 0.36 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1sb0 h SER 16 CO -0.32 -0.04 0.11 -0.74 -1.14 0.00 0.00 176.83 174.70 1sb0 h HIS 17 N -0.02 0.84 -0.13 3.45 -0.00 -0.33 0.93 115.15 119.90 1sb0 h HIS 17 Ca 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1sb0 h HIS 17 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1sb0 h HIS 17 CO -0.15 0.72 0.05 -0.07 -0.00 0.00 0.00 177.93 178.48 1sb0 h LEU 18 N 0.78 0.19 -0.51 0.26 3.38 -0.33 0.10 115.31 119.19 1sb0 h LEU 18 Ca 0.17 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1sb0 h LEU 18 Cb 0.31 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1sb0 h LEU 18 CO 0.00 0.31 -0.05 0.58 0.09 0.00 0.00 178.44 179.38 1sb0 h VAL 19 N 0.05 0.56 -0.25 1.22 2.07 -0.43 0.11 116.25 119.59 1sb0 h VAL 19 Ca 0.04 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1sb0 h VAL 19 Cb 0.18 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1sb0 h VAL 19 CO -0.00 0.01 -0.10 -0.74 0.02 0.00 0.00 177.57 176.76 1sb0 h HIS 20 N 0.07 -0.24 -0.73 1.57 -0.00 -0.44 0.20 115.15 115.58 1sb0 h HIS 20 Ca 0.25 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.74 1sb0 h HIS 20 Cb 0.39 0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 27.87 1sb0 h HIS 20 CO -0.36 -0.16 0.37 0.87 -0.00 0.00 0.00 177.93 178.66 1sb0 h LYS 21 N -0.06 0.61 0.04 5.26 1.79 0.28 0.10 116.57 124.60 1sb0 h LYS 21 Ca 0.13 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1sb0 h LYS 21 Cb 0.26 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1sb0 h LYS 21 CO -0.29 0.41 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.13 1sb0 h LEU 22 N 0.63 -0.84 -0.15 2.94 3.38 0.21 0.14 115.31 121.63 1sb0 h LEU 22 Ca 0.36 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.49 1sb0 h LEU 22 Cb 0.38 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1sb0 h LEU 22 CO -0.27 -0.36 -0.26 0.58 0.09 0.00 0.00 178.44 178.22 1sb0 h VAL 23 N -0.46 0.38 -0.06 1.22 2.07 0.12 -0.26 116.25 119.26 1sb0 h VAL 23 Ca 0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1sb0 h VAL 23 Cb 0.52 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1sb0 h VAL 23 CO -0.22 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 178.80 1sb0 h GLN 24 N -0.32 -0.19 -0.73 1.57 1.08 -0.55 0.42 115.11 116.40 1sb0 h GLN 24 Ca 0.11 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 1sb0 h GLN 24 Cb 0.48 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1sb0 h GLN 24 CO -0.33 -0.13 0.34 0.00 -0.95 0.00 0.00 178.83 177.76 1sb0 h ALA 25 N 0.81 1.23 -0.17 3.87 0.00 -0.31 -1.44 119.26 123.26 1sb0 h ALA 25 Ca 0.07 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1sb0 h ALA 25 Cb 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sb0 h ALA 25 CO -0.18 0.58 -0.76 0.82 0.00 0.00 0.00 179.25 179.71 1sb0 h ILE 26 N 1.03 1.27 -1.43 0.00 2.04 -0.84 -3.45 117.51 116.13 1sb0 h ILE 26 Ca 0.25 -1.95 -0.11 0.00 1.00 0.00 0.00 64.86 64.05 1sb0 h ILE 26 Cb 0.12 1.95 -0.26 0.00 -0.74 0.00 0.00 36.82 37.89 1sb0 h ILE 26 CO -0.03 0.62 -0.48 0.12 0.00 0.00 0.00 178.15 178.38 1sb0 s PHE 27 N -3.79 -1.34 -0.05 1.37 2.19 0.15 -5.08 117.98 111.44 1sb0 s PHE 27 Ca -0.10 0.60 -0.30 0.00 0.33 0.00 0.00 56.93 57.46 1sb0 s PHE 27 Cb 0.09 0.03 -0.06 0.00 -1.31 0.00 0.00 43.02 41.76 1sb0 s PHE 27 CO 0.91 -1.03 1.71 -1.25 1.83 0.00 0.00 175.22 177.39 1sb0 s PRO 28 N 2.64 4.14 -0.15 10.12 0.04 -0.63 -3.70 135.00 147.46 1sb0 s PRO 28 Ca 0.10 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 1sb0 s PRO 28 Cb -0.11 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 1sb0 s PRO 28 CO -0.28 -0.91 1.23 0.95 0.04 0.00 0.00 177.00 178.03 1sb0 s THR 29 N 4.24 4.31 0.28 1.26 -4.23 -1.26 -4.92 115.64 115.32 1sb0 s THR 29 Ca 0.76 1.59 0.02 0.00 -1.18 0.00 0.00 61.69 62.89 1sb0 s THR 29 Cb -0.34 -4.03 0.27 0.00 1.34 0.00 0.00 72.50 69.74 1sb0 s THR 29 CO 0.32 -0.11 1.77 -0.65 -0.54 0.00 0.00 174.62 175.40 1sb0 h PRO 30 N 8.00 0.66 -2.12 3.99 0.11 -2.01 -3.43 132.00 137.20 1sb0 h PRO 30 Ca -0.27 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 1sb0 h PRO 30 Cb 1.11 -0.15 -0.22 0.00 0.11 0.00 0.00 31.00 31.86 1sb0 h PRO 30 CO 0.95 0.44 0.06 0.34 -0.21 0.00 0.00 178.00 179.58 1sb0 s ASP 31 N -5.41 -0.71 0.31 -2.05 -1.08 -1.26 -5.05 116.67 101.42 1sb0 s ASP 31 Ca -0.12 1.35 0.06 0.00 -0.52 0.00 0.00 52.55 53.32 1sb0 s ASP 31 Cb 0.23 1.36 0.84 0.00 -1.46 0.00 0.00 42.92 43.90 1sb0 s ASP 31 CO 0.79 -0.23 1.62 -0.65 0.52 0.00 0.00 175.17 177.22 1sb0 h PRO 32 N 5.22 0.13 -0.88 4.34 0.11 -2.03 0.77 132.00 139.66 1sb0 h PRO 32 Ca -0.29 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.01 1sb0 h PRO 32 Cb 1.17 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1sb0 h PRO 32 CO 0.09 0.09 0.58 0.00 -0.21 0.00 0.00 178.00 178.55 1sb0 h ALA 33 N 1.87 2.19 -0.25 -0.75 0.00 -1.99 -0.99 119.26 119.34 1sb0 h ALA 33 Ca 0.62 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.62 1sb0 h ALA 33 Cb 1.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1sb0 h ALA 33 CO -0.74 -0.46 0.28 0.00 0.00 0.00 0.00 179.25 178.33 1sb0 h ALA 34 N 1.62 1.90 0.00 0.00 0.00 -1.25 -1.27 119.26 120.26 1sb0 h ALA 34 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1sb0 h ALA 34 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sb0 h ALA 34 CO -0.17 -0.41 0.22 -0.07 0.00 0.00 0.00 179.25 178.83 1sb0 h LEU 35 N 0.00 0.00 -2.08 0.00 3.38 -1.31 -0.48 115.31 114.82 1sb0 h LEU 35 Ca 0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1sb0 h LEU 35 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sb0 h LEU 35 CO -0.00 0.00 0.06 0.07 0.09 0.00 0.00 178.44 178.66 1sb0 h LYS 36 N 0.00 0.00 -6.77 1.13 2.10 -1.45 -3.28 116.57 108.30 1sb0 h LYS 36 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 1sb0 h LYS 36 Cb 0.45 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 31.83 1sb0 h LYS 36 CO 0.00 0.00 0.68 0.34 -2.00 0.00 0.00 179.45 178.47 1sb0 s ASP 37 N -6.75 6.79 0.26 7.07 -1.08 -0.19 -4.78 116.67 117.99 1sb0 s ASP 37 Ca -0.05 2.58 -0.03 0.00 -0.52 0.00 0.00 52.55 54.53 1sb0 s ASP 37 Cb 0.17 -2.63 0.54 0.00 -1.46 0.00 0.00 42.92 39.54 1sb0 s ASP 37 CO 0.65 -0.57 1.64 0.03 0.52 0.00 0.00 175.17 177.44 1sb0 h ARG 38 N 4.55 0.16 -0.39 4.34 -0.00 -1.90 0.18 114.38 121.32 1sb0 h ARG 38 Ca -0.47 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.02 1sb0 h ARG 38 Cb 1.22 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 31.13 1sb0 h ARG 38 CO 0.73 0.10 0.23 -0.09 0.00 0.00 0.00 179.97 180.94 1sb0 h ARG 39 N 0.16 0.45 -0.19 0.04 9.65 -1.94 0.80 114.38 123.35 1sb0 h ARG 39 Ca 0.47 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.30 1sb0 h ARG 39 Cb 0.87 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1sb0 h ARG 39 CO -0.65 0.30 0.06 0.52 2.80 0.00 0.00 179.97 183.00 1sb0 h MET 40 N 0.46 0.30 -0.75 0.20 2.86 -1.17 0.21 114.93 117.03 1sb0 h MET 40 Ca 0.16 -0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 1sb0 h MET 40 Cb 0.01 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.54 1sb0 h MET 40 CO -0.08 0.40 0.33 1.49 1.06 0.00 0.00 176.91 180.12 1sb0 h GLU 41 N 0.13 0.49 -0.38 1.72 4.81 -0.39 0.30 114.58 121.27 1sb0 h GLU 41 Ca 0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1sb0 h GLU 41 Cb 0.23 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1sb0 h GLU 41 CO -0.00 0.33 0.18 -0.91 -0.73 0.00 0.00 179.01 177.88 1sb0 h ASN 42 N 0.51 0.49 -0.51 1.04 2.35 -0.52 0.74 115.58 119.68 1sb0 h ASN 42 Ca 0.40 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1sb0 h ASN 42 Cb 0.56 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1sb0 h ASN 42 CO -0.36 0.48 0.22 0.25 -1.65 0.00 0.00 177.43 176.37 1sb0 h LEU 43 N 0.47 0.69 -0.13 1.61 5.85 0.61 0.74 115.31 125.16 1sb0 h LEU 43 Ca 0.13 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1sb0 h LEU 43 Cb 0.12 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1sb0 h LEU 43 CO -0.02 0.66 -0.11 0.58 -0.34 0.00 0.00 178.44 179.21 1sb0 h VAL 44 N 0.68 0.68 -0.31 1.05 2.07 -0.35 0.12 116.25 120.19 1sb0 h VAL 44 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 1sb0 h VAL 44 Cb 0.17 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1sb0 h VAL 44 CO -0.02 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.59 1sb0 h ALA 45 N 0.96 0.29 -0.27 1.67 0.00 -0.45 0.12 119.26 121.57 1sb0 h ALA 45 Ca 0.09 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1sb0 h ALA 45 Cb 0.26 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1sb0 h ALA 45 CO -0.21 -0.39 -0.05 -0.92 0.00 0.00 0.00 179.25 177.68 1sb0 h TYR 46 N 0.11 -0.11 -0.40 0.00 3.20 -0.43 0.77 116.97 120.12 1sb0 h TYR 46 Ca 0.15 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1sb0 h TYR 46 Cb 0.19 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1sb0 h TYR 46 CO -0.21 -0.10 0.22 0.00 -1.64 0.00 0.00 178.16 176.44 1sb0 h ALA 47 N 1.26 0.50 0.10 1.82 0.00 -0.12 0.14 119.26 122.96 1sb0 h ALA 47 Ca 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 47 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1sb0 h ALA 47 CO -0.26 -0.12 -0.21 0.87 0.00 0.00 0.00 179.25 179.53 1sb0 h LYS 48 N 0.45 -0.38 -0.20 0.00 1.57 -0.45 0.43 116.57 117.99 1sb0 h LYS 48 Ca 0.16 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1sb0 h LYS 48 Cb 0.03 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1sb0 h LYS 48 CO -0.08 -0.25 -0.17 0.87 -0.57 0.00 0.00 179.45 179.25 1sb0 h LYS 49 N -0.39 -0.17 -0.38 3.15 1.57 -0.42 0.99 116.57 120.91 1sb0 h LYS 49 Ca 0.03 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1sb0 h LYS 49 Cb 0.42 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1sb0 h LYS 49 CO -0.12 -0.11 0.05 -0.24 -0.57 0.00 0.00 179.45 178.45 1sb0 h VAL 50 N -0.18 1.25 -0.56 0.50 3.04 -0.58 0.11 116.25 119.82 1sb0 h VAL 50 Ca 0.12 -0.89 0.08 0.00 -1.01 0.00 0.00 66.70 65.00 1sb0 h VAL 50 Cb 0.35 1.08 -0.07 0.00 -2.01 0.00 0.00 31.29 30.65 1sb0 h VAL 50 CO -0.30 0.30 0.20 -0.08 -1.01 0.00 0.00 177.57 176.68 1sb0 h GLU 51 N 0.48 0.37 -0.06 4.17 4.22 -0.66 0.32 114.58 123.42 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 0.39 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1sb0 h GLU 51 CO 0.01 0.24 -0.32 0.78 -2.18 0.00 0.00 179.01 177.54 1sb0 h GLY 52 N 0.38 -0.49 0.13 1.92 0.00 -0.15 0.16 103.07 105.01 1sb0 h GLY 52 Ca 0.28 0.39 0.09 0.00 0.00 0.00 0.00 47.33 48.09 1sb0 h GLY 52 CO -0.28 -0.23 -0.07 -1.80 0.00 0.00 0.00 176.54 174.16 1sb0 h ASP 53 N -0.44 -0.35 -0.27 0.19 3.58 0.00 0.51 116.42 119.65 1sb0 h ASP 53 Ca 0.08 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1sb0 h ASP 53 Cb 0.55 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1sb0 h ASP 53 CO -0.31 -0.12 0.14 0.24 -2.88 0.00 0.00 179.24 176.31 1sb0 h MET 54 N 0.04 0.38 -0.76 0.28 2.86 -0.58 0.99 114.93 118.14 1sb0 h MET 54 Ca 0.23 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 1sb0 h MET 54 Cb 0.35 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 1sb0 h MET 54 CO -0.45 0.35 0.42 -0.92 1.06 0.00 0.00 176.91 177.37 1sb0 h TYR 55 N 0.31 0.76 -0.17 -0.22 3.20 0.23 0.15 116.97 121.24 1sb0 h TYR 55 Ca 0.09 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1sb0 h TYR 55 Cb 0.08 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1sb0 h TYR 55 CO -0.03 0.32 -0.05 0.93 -1.64 0.00 0.00 178.16 177.69 1sb0 h GLU 56 N 0.73 0.33 -0.37 1.82 4.39 -0.73 -3.34 114.58 117.41 1sb0 h GLU 56 Ca 0.36 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.80 1sb0 h GLU 56 Cb 0.31 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1sb0 h GLU 56 CO -0.23 0.62 -0.26 0.77 -1.16 0.00 0.00 179.01 178.75 1sb0 h SER 57 N 0.03 0.86 -2.48 1.42 0.02 -0.06 -3.45 113.55 109.90 1sb0 h SER 57 Ca 0.04 -0.44 -0.57 0.00 -0.84 0.00 0.00 61.79 59.99 1sb0 h SER 57 Cb 0.50 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1sb0 h SER 57 CO 0.02 1.11 1.28 0.00 -1.14 0.00 0.00 176.83 178.10 1sb0 s ALA 58 N -4.51 3.08 0.50 3.77 0.00 0.45 -4.89 121.76 120.16 1sb0 s ALA 58 Ca -0.12 0.63 0.19 0.00 0.00 0.00 0.00 51.96 52.66 1sb0 s ALA 58 Cb 0.10 -3.95 1.25 0.00 0.00 0.00 0.00 23.12 20.53 1sb0 s ALA 58 CO 0.85 -2.28 2.05 -2.95 0.00 0.00 0.00 175.76 173.42 1sb0 h ASN 59 N 12.38 0.10 -5.29 0.00 7.08 -1.90 -3.46 115.58 124.49 1sb0 h ASN 59 Ca -0.38 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 52.71 1sb0 h ASN 59 Cb 1.19 -0.02 -0.14 0.00 -2.08 0.00 0.00 38.32 37.27 1sb0 h ASN 59 CO 0.99 0.06 -0.48 -0.94 -2.08 0.00 0.00 177.43 174.97 1sb0 s SER 60 N -6.54 0.21 0.20 6.14 1.04 -1.26 -4.91 113.70 108.58 1sb0 s SER 60 Ca -0.06 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 1sb0 s SER 60 Cb 0.19 0.34 0.20 0.00 0.10 0.00 0.00 66.02 66.85 1sb0 s SER 60 CO 0.71 -0.77 1.80 -0.09 0.98 0.00 0.00 173.24 175.88 1sb0 h ARG 61 N 2.77 0.59 -0.11 4.02 2.43 -1.92 0.71 114.38 122.88 1sb0 h ARG 61 Ca -0.34 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1sb0 h ARG 61 Cb 1.20 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1sb0 h ARG 61 CO 0.56 0.39 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.63 1sb0 h ASP 62 N 0.61 -1.06 -0.16 -3.80 5.19 -1.99 0.47 116.42 115.69 1sb0 h ASP 62 Ca 0.27 0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.87 1sb0 h ASP 62 Cb 0.17 0.44 -0.05 0.00 0.18 0.00 0.00 39.33 40.08 1sb0 h ASP 62 CO -0.18 -0.38 -0.12 -0.08 -3.12 0.00 0.00 179.24 175.36 1sb0 h GLU 63 N -0.43 -0.13 -0.32 3.56 4.57 -1.85 0.20 114.58 120.18 1sb0 h GLU 63 Ca 0.09 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1sb0 h GLU 63 Cb 0.57 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 1sb0 h GLU 63 CO -0.35 -0.09 -0.18 -0.92 -1.18 0.00 0.00 179.01 176.30 1sb0 h TYR 64 N -0.13 -0.44 -0.12 0.92 3.20 -0.25 0.19 116.97 120.34 1sb0 h TYR 64 Ca 0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1sb0 h TYR 64 Cb 0.28 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1sb0 h TYR 64 CO -0.26 -0.25 0.08 1.88 -1.64 0.00 0.00 178.16 177.97 1sb0 h TYR 65 N -0.13 0.15 0.36 -3.82 0.05 -0.71 -2.18 116.97 110.68 1sb0 h TYR 65 Ca 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1sb0 h TYR 65 Cb 0.38 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1sb0 h TYR 65 CO -0.38 0.11 -0.40 1.25 -1.05 0.00 0.00 178.16 177.69 1sb0 h HIS 66 N 0.15 -1.11 -0.01 4.88 2.76 0.24 0.24 115.15 122.30 1sb0 h HIS 66 Ca 0.04 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 1sb0 h HIS 66 Cb -0.00 0.44 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1sb0 h HIS 66 CO -0.07 -0.52 -0.29 1.37 -1.30 0.00 0.00 177.93 177.13 1sb0 h LEU 67 N -0.76 0.02 0.40 0.26 8.10 -0.74 0.20 115.31 122.78 1sb0 h LEU 67 Ca -0.04 -0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.92 1sb0 h LEU 67 Cb 0.67 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1sb0 h LEU 67 CO -0.07 0.30 -0.19 -0.07 -4.11 0.00 0.00 178.44 174.30 1sb0 h LEU 68 N 0.01 -0.45 -0.71 0.17 3.38 -1.25 0.10 115.31 116.56 1sb0 h LEU 68 Ca -0.00 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sb0 h LEU 68 Cb 0.52 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1sb0 h LEU 68 CO 0.04 -0.15 0.39 0.00 0.09 0.00 0.00 178.44 178.80 1sb0 h ALA 69 N -0.27 0.96 -0.39 1.53 0.00 -0.62 -0.96 119.26 119.52 1sb0 h ALA 69 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sb0 h ALA 69 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sb0 h ALA 69 CO 0.09 0.04 0.24 1.49 0.00 0.00 0.00 179.25 181.11 1sb0 h GLU 70 N 0.69 0.53 -0.16 0.00 4.57 -0.59 0.13 114.58 119.75 1sb0 h GLU 70 Ca 0.33 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.51 1sb0 h GLU 70 Cb 0.25 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1sb0 h GLU 70 CO -0.21 0.39 -0.20 -0.22 -1.18 0.00 0.00 179.01 177.59 1sb0 h LYS 71 N 0.52 -0.23 0.01 1.92 1.63 0.04 0.15 116.57 120.61 1sb0 h LYS 71 Ca 0.14 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1sb0 h LYS 71 Cb -0.01 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 1sb0 h LYS 71 CO -0.03 -0.15 -0.29 0.82 -3.45 0.00 0.00 179.45 176.35 1sb0 h ILE 72 N -0.23 0.35 -0.40 2.00 2.04 -0.89 -1.29 117.51 119.08 1sb0 h ILE 72 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1sb0 h ILE 72 Cb 0.40 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 36.74 1sb0 h ILE 72 CO -0.30 0.00 -0.29 0.22 0.00 0.00 0.00 178.15 177.78 1sb0 h TYR 73 N -0.45 -0.77 0.13 1.37 5.03 -0.20 0.52 116.97 122.59 1sb0 h TYR 73 Ca 0.06 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.44 1sb0 h TYR 73 Cb 0.53 0.40 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 1sb0 h TYR 73 CO -0.32 -0.35 -0.24 0.87 -1.32 0.00 0.00 178.16 176.80 1sb0 h LYS 74 N -0.22 -0.43 -0.05 1.82 1.57 -0.51 0.14 116.57 118.90 1sb0 h LYS 74 Ca 0.18 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1sb0 h LYS 74 Cb 0.51 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 1sb0 h LYS 74 CO -0.52 -0.29 -0.49 0.82 -0.57 0.00 0.00 179.45 178.40 1sb0 h ILE 75 N -0.45 0.06 0.17 1.86 2.04 -0.33 0.14 117.51 121.01 1sb0 h ILE 75 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1sb0 h ILE 75 Cb 0.46 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1sb0 h ILE 75 CO -0.13 0.00 -0.49 1.56 0.00 0.00 0.00 178.15 179.09 1sb0 h GLN 76 N -0.60 -0.73 -0.25 2.37 1.08 -0.75 0.90 115.11 117.13 1sb0 h GLN 76 Ca 0.04 0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1sb0 h GLN 76 Cb 0.69 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.24 1sb0 h GLN 76 CO -0.38 -0.49 -0.02 -0.22 -0.95 0.00 0.00 178.83 176.78 1sb0 h LYS 77 N -0.76 0.05 0.21 1.46 1.63 -0.42 0.97 116.57 119.72 1sb0 h LYS 77 Ca -0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1sb0 h LYS 77 Cb 0.75 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1sb0 h LYS 77 CO -0.24 0.03 -0.10 0.93 -3.45 0.00 0.00 179.45 176.62 1sb0 h GLU 78 N 0.05 -0.27 -0.21 1.90 4.39 -0.66 -3.33 114.58 116.46 1sb0 h GLU 78 Ca 0.12 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 1sb0 h GLU 78 Cb 0.16 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1sb0 h GLU 78 CO -0.21 -0.05 -0.21 1.25 -1.16 0.00 0.00 179.01 178.63 1sb0 h LEU 79 N -0.45 0.55 -1.47 1.33 5.85 -0.48 -3.22 115.31 117.43 1sb0 h LEU 79 Ca -0.03 -0.48 0.10 0.00 0.84 0.00 0.00 57.88 58.32 1sb0 h LEU 79 Cb 0.34 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1sb0 h LEU 79 CO 0.05 0.91 0.48 1.05 -0.34 0.00 0.00 178.44 180.59 1sb0 h GLU 80 N 0.20 0.57 -0.83 1.25 -0.00 -0.95 0.91 114.58 115.73 1sb0 h GLU 80 Ca 0.03 -0.03 0.15 0.00 -0.00 0.00 0.00 59.36 59.51 1sb0 h GLU 80 Cb 0.76 -0.13 -0.10 0.00 -0.00 0.00 0.00 28.75 29.29 1sb0 h GLU 80 CO 0.05 0.38 0.40 0.93 -0.00 0.00 0.00 179.01 180.77 1sb0 h GLU 81 N 0.59 0.55 0.00 1.06 5.08 -1.66 0.11 114.58 120.30 1sb0 h GLU 81 Ca 0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sb0 h GLU 81 Cb 0.52 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1sb0 h GLU 81 CO -0.12 0.36 0.00 1.63 -1.00 0.00 0.00 179.01 179.89 1sb0 n LYS 82 N -4.91 0.19 -0.07 2.33 4.76 0.31 -0.78 118.16 119.99 1sb0 n LYS 82 Ca 0.17 0.38 -0.10 0.00 -2.87 0.00 0.00 58.31 55.88 1sb0 n LYS 82 Cb 0.45 -1.84 -0.08 0.00 -1.84 0.00 0.00 35.03 31.72 1sb0 n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sb0 h ARG 83 N 0.00 0.00 -0.36 1.97 2.47 -0.81 -3.41 114.38 114.25 1sb0 h ARG 83 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1sb0 h ARG 83 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1sb0 h ARG 83 CO 0.00 0.60 -0.32 0.00 0.56 0.00 0.00 179.97 180.81 1sb0 h ARG 84 N -1.00 0.78 -2.05 0.04 3.08 -0.72 -3.36 114.38 111.15 1sb0 h ARG 84 Ca -0.06 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1sb0 h ARG 84 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1sb0 h ARG 84 CO -0.04 0.99 -0.02 0.43 -1.07 0.00 0.00 179.97 180.26 1sb0 n SER 85 N -4.07 3.66 -3.69 7.04 7.64 0.04 -4.65 113.62 119.58 1sb0 n SER 85 Ca -0.01 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.45 1sb0 n SER 85 Cb 0.49 -0.81 -0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1sb0 n SER 85 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sb0 n ARG 86 N 1.82 3.23 0.00 1.43 1.74 -1.26 -5.04 116.66 118.58 1sb0 n ARG 86 Ca 0.05 -2.81 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 1sb0 n ARG 86 Cb 0.39 -3.11 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00