#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 2.69 -3.93 1.61 0.24 -1.26 -4.78 118.33 112.91 1sb0 n VAL 2 Ca 0.00 -1.54 -0.30 0.00 -2.04 0.00 0.00 64.34 60.46 1sb0 n VAL 2 Cb 0.00 -2.14 -0.16 0.00 -1.47 0.00 0.00 33.84 30.07 1sb0 n VAL 2 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1sb0 s ARG 3 N 2.62 1.60 0.00 7.34 3.00 -1.26 -4.86 118.95 127.39 1sb0 s ARG 3 Ca 0.47 -0.84 0.00 0.00 -1.00 0.00 0.00 55.73 54.36 1sb0 s ARG 3 Cb 0.15 -2.42 0.00 0.00 0.00 0.00 0.00 34.95 32.68 1sb0 s ARG 3 CO -0.03 -0.54 0.33 1.63 0.00 0.00 0.00 175.30 176.69 1sb0 n LYS 4 N 4.73 0.00 0.00 5.12 4.76 -1.26 -4.99 118.16 126.52 1sb0 n LYS 4 Ca -0.12 -0.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1sb0 n LYS 4 Cb 0.45 -0.45 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 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 0.00 1.68 0.27 0.72 0.00 -1.26 -4.36 105.19 102.24 1sb0 n GLY 5 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.87 1.61 5.08 -1.96 -3.24 115.95 116.57 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 -0.15 0.00 -3.00 0.00 0.00 29.16 26.01 1sb0 h TRP 6 CO 0.00 0.07 0.03 1.12 -1.28 0.00 0.00 178.44 178.38 1sb0 h HIS 7 N 0.00 -0.02 -0.21 0.12 2.07 -1.89 0.11 115.15 115.33 1sb0 h HIS 7 Ca -0.00 0.06 0.06 0.00 -2.85 0.00 0.00 60.37 57.64 1sb0 h HIS 7 Cb 0.16 0.15 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 1sb0 h HIS 7 CO 0.00 -0.31 0.16 1.05 -3.07 0.00 0.00 177.93 175.75 1sb0 h GLU 8 N 0.08 0.00 0.00 5.12 4.11 -1.89 0.73 114.58 122.73 1sb0 h GLU 8 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1sb0 h GLU 8 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1sb0 h GLU 8 CO -0.78 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.02 1sb0 n HIS 9 N -4.37 0.92 -3.68 2.06 8.25 0.40 -4.22 115.22 114.59 1sb0 n HIS 9 Ca 0.02 0.30 -0.28 0.00 -0.26 0.00 0.00 57.72 57.50 1sb0 n HIS 9 Cb 0.30 -0.99 -0.12 0.00 1.12 0.00 0.00 29.99 30.30 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 -3.20 1.56 0.83 1.59 1.01 0.25 -5.10 120.40 117.34 1sb0 s VAL 10 Ca 0.08 -3.12 -0.12 0.00 0.00 0.00 0.00 61.98 58.82 1sb0 s VAL 10 Cb 0.11 -2.06 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1sb0 s VAL 10 CO 0.52 -1.03 1.10 0.42 0.00 0.00 0.00 175.10 176.11 1sb0 s THR 11 N -0.30 2.87 0.32 3.92 -4.23 -1.25 -4.70 115.64 112.28 1sb0 s THR 11 Ca 0.24 0.28 0.09 0.00 -1.18 0.00 0.00 61.69 61.13 1sb0 s THR 11 Cb -0.10 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.07 1sb0 s THR 11 CO -0.11 -0.37 1.75 -0.61 -0.54 0.00 0.00 174.62 174.74 1sb0 h GLN 12 N -1.21 0.61 -0.32 3.99 5.75 -1.96 0.53 115.11 122.49 1sb0 h GLN 12 Ca -0.48 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1sb0 h GLN 12 Cb 1.28 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 1sb0 h GLN 12 CO 0.59 0.40 0.18 -0.44 -2.65 0.00 0.00 178.83 176.91 1sb0 h ASP 13 N 0.63 0.29 -0.38 -0.69 5.19 -1.98 0.28 116.42 119.75 1sb0 h ASP 13 Ca 0.62 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.98 1sb0 h ASP 13 Cb 1.14 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1sb0 h ASP 13 CO -0.43 0.21 0.02 0.25 -3.12 0.00 0.00 179.24 176.17 1sb0 h LEU 14 N 0.37 0.65 -0.51 1.55 5.85 -1.32 0.24 115.31 122.13 1sb0 h LEU 14 Ca 0.13 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1sb0 h LEU 14 Cb 0.01 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 1sb0 h LEU 14 CO -0.07 0.78 0.02 0.03 -0.34 0.00 0.00 178.44 178.87 1sb0 h ARG 15 N 0.49 0.14 -0.33 1.25 3.08 -0.71 0.17 114.38 118.47 1sb0 h ARG 15 Ca 0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1sb0 h ARG 15 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1sb0 h ARG 15 CO 0.02 0.09 0.13 0.77 -1.07 0.00 0.00 179.97 179.91 1sb0 h SER 16 N 0.14 0.45 0.15 7.04 0.02 -0.03 0.19 113.55 121.51 1sb0 h SER 16 Ca 0.26 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1sb0 h SER 16 Cb 0.39 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1sb0 h SER 16 CO -0.41 0.50 -0.32 -0.74 -1.14 0.00 0.00 176.83 174.72 1sb0 h HIS 17 N 0.38 0.30 -0.42 3.45 -0.00 -0.58 0.14 115.15 118.41 1sb0 h HIS 17 Ca 0.11 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1sb0 h HIS 17 Cb 0.19 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1sb0 h HIS 17 CO -0.00 0.56 0.04 -0.07 -0.00 0.00 0.00 177.93 178.46 1sb0 h LEU 18 N 0.23 0.70 -0.54 0.26 3.38 -0.15 0.11 115.31 119.29 1sb0 h LEU 18 Ca 0.03 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1sb0 h LEU 18 Cb 0.69 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1sb0 h LEU 18 CO 0.05 0.80 0.03 0.58 0.09 0.00 0.00 178.44 179.99 1sb0 h VAL 19 N 0.57 0.60 -0.23 1.22 2.07 -0.24 0.17 116.25 120.40 1sb0 h VAL 19 Ca 0.12 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1sb0 h VAL 19 Cb 0.42 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1sb0 h VAL 19 CO 0.01 0.03 -0.15 -0.74 0.02 0.00 0.00 177.57 176.74 1sb0 h HIS 20 N 0.15 -0.38 -0.79 1.57 -0.00 -0.45 0.13 115.15 115.38 1sb0 h HIS 20 Ca 0.28 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.80 1sb0 h HIS 20 Cb 0.42 0.20 -0.08 0.00 -0.00 0.00 0.00 27.41 27.95 1sb0 h HIS 20 CO -0.31 -0.22 0.40 0.87 -0.00 0.00 0.00 177.93 178.67 1sb0 h LYS 21 N -0.14 0.59 0.15 5.26 1.79 0.52 0.10 116.57 124.84 1sb0 h LYS 21 Ca 0.13 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1sb0 h LYS 21 Cb 0.33 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1sb0 h LYS 21 CO -0.31 0.39 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.20 1sb0 h LEU 22 N 0.61 -0.50 -0.47 2.94 3.38 0.26 0.19 115.31 121.72 1sb0 h LEU 22 Ca 0.41 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.53 1sb0 h LEU 22 Cb 0.52 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1sb0 h LEU 22 CO -0.33 -0.27 -0.04 0.58 0.09 0.00 0.00 178.44 178.47 1sb0 h VAL 23 N -0.38 0.59 -0.32 1.22 2.07 0.18 -0.12 116.25 119.49 1sb0 h VAL 23 Ca 0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1sb0 h VAL 23 Cb 0.38 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1sb0 h VAL 23 CO -0.07 0.01 0.15 1.56 0.02 0.00 0.00 177.57 179.24 1sb0 h GLN 24 N 0.07 0.46 -0.64 1.57 1.08 -0.49 0.45 115.11 117.62 1sb0 h GLN 24 Ca 0.23 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1sb0 h GLN 24 Cb 0.35 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1sb0 h GLN 24 CO -0.43 0.44 0.27 0.00 -0.95 0.00 0.00 178.83 178.15 1sb0 h ALA 25 N 1.00 1.27 0.04 3.87 0.00 0.02 -1.42 119.26 124.05 1sb0 h ALA 25 Ca 0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1sb0 h ALA 25 Cb 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sb0 h ALA 25 CO -0.01 0.54 -0.73 0.82 0.00 0.00 0.00 179.25 179.87 1sb0 h ILE 26 N 0.91 1.43 -2.01 0.00 2.04 -0.93 -3.45 117.51 115.50 1sb0 h ILE 26 Ca 0.22 -2.23 -0.36 0.00 1.00 0.00 0.00 64.86 63.49 1sb0 h ILE 26 Cb 0.16 2.74 -0.32 0.00 -0.74 0.00 0.00 36.82 38.66 1sb0 h ILE 26 CO -0.02 0.65 -0.68 0.12 0.00 0.00 0.00 178.15 178.22 1sb0 s PHE 27 N -3.01 -0.31 -0.22 1.37 2.19 0.16 -5.10 117.98 113.05 1sb0 s PHE 27 Ca -0.13 -0.69 -0.28 0.00 0.33 0.00 0.00 56.93 56.16 1sb0 s PHE 27 Cb 0.03 -0.43 -0.05 0.00 -1.31 0.00 0.00 43.02 41.26 1sb0 s PHE 27 CO 0.84 -0.96 2.22 -1.25 1.83 0.00 0.00 175.22 177.90 1sb0 s PRO 28 N 1.64 3.11 -0.10 10.12 0.04 -0.57 -3.81 135.00 145.43 1sb0 s PRO 28 Ca 0.15 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1sb0 s PRO 28 Cb -0.15 -4.38 -0.01 0.00 0.04 0.00 0.00 34.50 30.00 1sb0 s PRO 28 CO -0.10 -2.13 1.01 0.99 0.04 0.00 0.00 177.00 176.81 1sb0 s THR 29 N 8.37 4.78 0.19 1.26 2.01 -1.26 -4.97 115.64 126.02 1sb0 s THR 29 Ca 1.01 2.04 -0.13 0.00 0.31 0.00 0.00 61.69 64.91 1sb0 s THR 29 Cb -0.33 -4.31 0.15 0.00 0.01 0.00 0.00 72.50 68.03 1sb0 s THR 29 CO 0.35 0.01 1.67 -0.65 -0.69 0.00 0.00 174.62 175.31 1sb0 h PRO 30 N 7.09 0.08 -2.70 4.92 0.11 -2.00 -3.43 132.00 136.07 1sb0 h PRO 30 Ca -0.32 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 1sb0 h PRO 30 Cb 1.15 -0.02 -0.25 0.00 0.11 0.00 0.00 31.00 32.00 1sb0 h PRO 30 CO 0.85 0.06 -0.24 0.34 -0.21 0.00 0.00 178.00 178.79 1sb0 s ASP 31 N -5.24 -0.46 0.32 -2.05 -1.08 -1.26 -5.05 116.67 101.84 1sb0 s ASP 31 Ca -0.14 0.86 0.07 0.00 -0.52 0.00 0.00 52.55 52.82 1sb0 s ASP 31 Cb 0.17 0.84 0.89 0.00 -1.46 0.00 0.00 42.92 43.35 1sb0 s ASP 31 CO 0.73 -0.16 1.61 -0.65 0.52 0.00 0.00 175.17 177.22 1sb0 h PRO 32 N 5.88 0.10 -0.88 4.34 0.11 -2.04 0.12 132.00 139.63 1sb0 h PRO 32 Ca -0.29 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.98 1sb0 h PRO 32 Cb 1.18 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 1sb0 h PRO 32 CO 0.25 0.07 0.57 0.00 -0.21 0.00 0.00 178.00 178.68 1sb0 h ALA 33 N 1.90 2.02 -0.01 -0.75 0.00 -2.00 -0.66 119.26 119.76 1sb0 h ALA 33 Ca 0.64 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1sb0 h ALA 33 Cb 1.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1sb0 h ALA 33 CO -0.77 -0.28 0.10 0.00 0.00 0.00 0.00 179.25 178.30 1sb0 h ALA 34 N 1.62 1.18 0.00 0.00 0.00 -1.17 -1.11 119.26 119.77 1sb0 h ALA 34 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1sb0 h ALA 34 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1sb0 h ALA 34 CO -0.19 -0.11 0.15 -0.07 0.00 0.00 0.00 179.25 179.03 1sb0 h LEU 35 N 0.00 0.00 -1.97 0.00 3.38 -1.24 -0.39 115.31 115.10 1sb0 h LEU 35 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sb0 h LEU 35 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sb0 h LEU 35 CO -0.00 0.00 0.03 0.07 0.09 0.00 0.00 178.44 178.63 1sb0 h LYS 36 N 0.00 0.04 -6.74 1.13 2.10 -1.42 -3.24 116.57 108.45 1sb0 h LYS 36 Ca 0.00 -0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1sb0 h LYS 36 Cb 0.29 -0.01 0.07 0.00 -0.90 0.00 0.00 32.23 31.68 1sb0 h LYS 36 CO 0.00 0.03 0.88 -0.51 -2.00 0.00 0.00 179.45 177.85 1sb0 s ASP 37 N -7.02 6.46 0.28 7.07 1.11 -0.16 -4.71 116.67 119.70 1sb0 s ASP 37 Ca -0.05 2.83 -0.01 0.00 0.18 0.00 0.00 52.55 55.50 1sb0 s ASP 37 Cb 0.17 -2.62 0.63 0.00 1.07 0.00 0.00 42.92 42.17 1sb0 s ASP 37 CO 0.68 -0.87 1.64 0.03 1.18 0.00 0.00 175.17 177.83 1sb0 h ARG 38 N 5.53 0.17 -0.30 8.23 3.08 -1.90 0.32 114.38 129.52 1sb0 h ARG 38 Ca -0.45 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.65 1sb0 h ARG 38 Cb 1.21 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 1sb0 h ARG 38 CO 0.84 0.11 -0.37 0.00 -1.07 0.00 0.00 179.97 179.48 1sb0 h ARG 39 N 0.17 -0.33 -0.33 0.04 3.08 -1.94 0.30 114.38 115.37 1sb0 h ARG 39 Ca 0.51 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.51 1sb0 h ARG 39 Cb 0.99 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1sb0 h ARG 39 CO -0.66 -0.22 -0.08 0.52 -1.07 0.00 0.00 179.97 178.45 1sb0 h MET 40 N -0.35 0.64 -0.69 0.04 2.86 -0.79 -0.34 114.93 116.31 1sb0 h MET 40 Ca 0.13 -0.25 0.13 0.00 -2.06 0.00 0.00 59.70 57.65 1sb0 h MET 40 Cb 0.57 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.10 1sb0 h MET 40 CO -0.49 0.81 0.22 1.49 1.06 0.00 0.00 176.91 180.01 1sb0 h GLU 41 N 0.42 0.35 -0.29 1.72 4.81 -0.43 0.42 114.58 121.58 1sb0 h GLU 41 Ca 0.08 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1sb0 h GLU 41 Cb 0.58 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1sb0 h GLU 41 CO 0.03 0.23 0.08 -0.91 -0.73 0.00 0.00 179.01 177.71 1sb0 h ASN 42 N 0.36 0.44 -0.79 1.04 2.35 -0.60 0.31 115.58 118.69 1sb0 h ASN 42 Ca 0.37 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1sb0 h ASN 42 Cb 0.56 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 1sb0 h ASN 42 CO -0.41 0.55 0.37 0.25 -1.65 0.00 0.00 177.43 176.54 1sb0 h LEU 43 N 0.31 1.04 0.01 1.61 5.85 0.15 0.70 115.31 124.99 1sb0 h LEU 43 Ca 0.09 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1sb0 h LEU 43 Cb 0.27 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1sb0 h LEU 43 CO -0.00 0.89 -0.01 0.58 -0.34 0.00 0.00 178.44 179.56 1sb0 h VAL 44 N 1.14 0.98 -0.30 1.05 2.07 -0.10 0.13 116.25 121.21 1sb0 h VAL 44 Ca 0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1sb0 h VAL 44 Cb 0.13 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1sb0 h VAL 44 CO -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.53 1sb0 h ALA 45 N 0.96 0.24 -0.25 1.67 0.00 -0.28 0.17 119.26 121.78 1sb0 h ALA 45 Ca -0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 45 Cb 0.02 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1sb0 h ALA 45 CO -0.00 -0.43 -0.05 -0.92 0.00 0.00 0.00 179.25 177.85 1sb0 h TYR 46 N 0.05 -0.11 -0.33 0.00 3.20 -0.60 0.48 116.97 119.67 1sb0 h TYR 46 Ca 0.15 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1sb0 h TYR 46 Cb 0.21 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1sb0 h TYR 46 CO -0.25 -0.09 0.19 0.00 -1.64 0.00 0.00 178.16 176.36 1sb0 h ALA 47 N 1.24 0.41 -0.02 1.82 0.00 -0.10 0.14 119.26 122.74 1sb0 h ALA 47 Ca 0.12 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 47 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1sb0 h ALA 47 CO -0.24 -0.18 -0.22 0.87 0.00 0.00 0.00 179.25 179.48 1sb0 h LYS 48 N 0.38 -0.32 -0.08 0.00 1.57 -0.41 0.64 116.57 118.35 1sb0 h LYS 48 Ca 0.13 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1sb0 h LYS 48 Cb 0.01 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1sb0 h LYS 48 CO -0.07 -0.22 -0.20 0.87 -0.57 0.00 0.00 179.45 179.27 1sb0 h LYS 49 N -0.34 -0.27 -0.18 3.15 1.57 -0.46 0.11 116.57 120.16 1sb0 h LYS 49 Ca 0.07 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1sb0 h LYS 49 Cb 0.42 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1sb0 h LYS 49 CO -0.21 -0.18 0.03 -0.24 -0.57 0.00 0.00 179.45 178.27 1sb0 h VAL 50 N -0.28 1.22 -0.54 0.50 3.04 -0.54 0.11 116.25 119.75 1sb0 h VAL 50 Ca 0.08 -0.73 0.05 0.00 -1.01 0.00 0.00 66.70 65.09 1sb0 h VAL 50 Cb 0.40 1.37 -0.05 0.00 -2.01 0.00 0.00 31.29 31.00 1sb0 h VAL 50 CO -0.24 0.22 0.27 -0.08 -1.01 0.00 0.00 177.57 176.73 1sb0 h GLU 51 N 0.08 0.51 -0.09 4.17 4.22 -0.76 0.61 114.58 123.32 1sb0 h GLU 51 Ca 0.05 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.51 1sb0 h GLU 51 Cb 0.31 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1sb0 h GLU 51 CO 0.00 0.34 -0.32 0.78 -2.18 0.00 0.00 179.01 177.63 1sb0 h GLY 52 N 0.52 -0.46 0.12 1.92 0.00 -0.46 0.93 103.07 105.64 1sb0 h GLY 52 Ca 0.24 0.39 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1sb0 h GLY 52 CO -0.17 -0.22 -0.07 -1.80 0.00 0.00 0.00 176.54 174.27 1sb0 h ASP 53 N -0.42 -0.35 -0.27 0.19 3.58 0.04 0.78 116.42 119.97 1sb0 h ASP 53 Ca 0.08 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.69 1sb0 h ASP 53 Cb 0.55 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 1sb0 h ASP 53 CO -0.32 -0.12 0.11 0.24 -2.88 0.00 0.00 179.24 176.26 1sb0 h MET 54 N 0.04 0.24 -0.34 0.28 2.86 -0.47 0.16 114.93 117.69 1sb0 h MET 54 Ca 0.23 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1sb0 h MET 54 Cb 0.35 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1sb0 h MET 54 CO -0.45 0.16 0.10 -0.92 1.06 0.00 0.00 176.91 176.85 1sb0 h TYR 55 N 0.24 0.17 -0.25 -0.22 5.03 0.31 0.14 116.97 122.40 1sb0 h TYR 55 Ca 0.12 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.35 1sb0 h TYR 55 Cb 0.06 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1sb0 h TYR 55 CO -0.11 0.06 -0.26 0.93 -1.32 0.00 0.00 178.16 177.45 1sb0 h GLU 56 N 0.23 0.48 -0.05 1.82 4.39 -0.63 -3.22 114.58 117.60 1sb0 h GLU 56 Ca 0.16 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1sb0 h GLU 56 Cb 0.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1sb0 h GLU 56 CO -0.18 0.71 -0.11 1.03 -1.16 0.00 0.00 179.01 179.29 1sb0 h SER 57 N 0.42 0.19 -2.50 1.42 0.87 -0.10 -3.45 113.55 110.41 1sb0 h SER 57 Ca 0.06 -0.58 -0.56 0.00 -1.23 0.00 0.00 61.79 59.48 1sb0 h SER 57 Cb 0.68 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1sb0 h SER 57 CO 0.05 0.73 1.31 0.00 -0.53 0.00 0.00 176.83 178.39 1sb0 s ALA 58 N -3.90 2.73 -1.37 6.23 0.00 0.45 -4.87 121.76 121.03 1sb0 s ALA 58 Ca -0.15 0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.16 1sb0 s ALA 58 Cb 0.02 -4.06 0.92 0.00 0.00 0.00 0.00 23.12 19.99 1sb0 s ALA 58 CO 0.72 -2.86 1.57 -1.71 0.00 0.00 0.00 175.76 173.48 1sb0 n ASN 59 N 10.87 0.00 -3.61 0.00 4.05 -1.26 -4.79 115.26 120.52 1sb0 n ASN 59 Ca 0.23 0.08 -0.15 0.00 0.45 0.00 0.00 54.58 55.20 1sb0 n ASN 59 Cb 0.48 -0.31 -0.06 0.00 1.23 0.00 0.00 39.78 41.11 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1sb0 s SER 60 N -2.63 -0.42 0.17 1.20 0.01 -1.26 -4.91 113.70 105.85 1sb0 s SER 60 Ca 0.16 0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.54 1sb0 s SER 60 Cb 0.12 0.46 0.11 0.00 0.21 0.00 0.00 66.02 66.92 1sb0 s SER 60 CO 0.29 -0.63 1.72 -0.09 0.41 0.00 0.00 173.24 174.94 1sb0 h ARG 61 N 3.08 0.20 -0.62 12.44 2.43 -1.92 -0.03 114.38 129.96 1sb0 h ARG 61 Ca -0.30 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1sb0 h ARG 61 Cb 1.19 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.60 1sb0 h ARG 61 CO 0.41 0.13 0.11 0.38 -1.51 0.00 0.00 179.97 179.49 1sb0 h ASP 62 N 0.21 -0.05 0.16 -3.80 2.03 -1.99 0.36 116.42 113.34 1sb0 h ASP 62 Ca 0.20 0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.61 1sb0 h ASP 62 Cb 0.24 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1sb0 h ASP 62 CO -0.26 -0.02 -0.07 -0.08 -1.03 0.00 0.00 179.24 177.78 1sb0 h GLU 63 N 0.23 -0.20 -0.63 4.15 4.57 -1.67 0.51 114.58 121.54 1sb0 h GLU 63 Ca 0.33 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.65 1sb0 h GLU 63 Cb 0.51 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.04 1sb0 h GLU 63 CO -0.44 -0.13 0.02 -0.92 -1.18 0.00 0.00 179.01 176.36 1sb0 h TYR 64 N -0.22 -0.01 -0.13 0.92 3.20 0.03 0.15 116.97 120.91 1sb0 h TYR 64 Ca -0.02 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1sb0 h TYR 64 Cb 0.17 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1sb0 h TYR 64 CO -0.06 -0.16 0.01 1.88 -1.64 0.00 0.00 178.16 178.19 1sb0 h TYR 65 N 0.13 0.25 0.29 -3.82 0.05 -0.81 -2.94 116.97 110.12 1sb0 h TYR 65 Ca 0.33 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.07 1sb0 h TYR 65 Cb 0.54 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 1sb0 h TYR 65 CO -0.36 0.45 -0.44 1.25 -1.05 0.00 0.00 178.16 178.01 1sb0 h HIS 66 N -0.02 -1.26 0.00 4.88 2.76 0.65 0.02 115.15 122.18 1sb0 h HIS 66 Ca 0.04 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1sb0 h HIS 66 Cb 0.34 0.51 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 1sb0 h HIS 66 CO 0.03 -0.55 -0.22 1.37 -1.30 0.00 0.00 177.93 177.25 1sb0 h LEU 67 N -0.77 0.00 0.12 0.26 8.10 -0.88 0.17 115.31 122.31 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 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 1sb0 h LEU 67 CO -0.14 0.22 -0.06 -0.07 -4.11 0.00 0.00 178.44 174.29 1sb0 h LEU 68 N 0.00 -0.13 -0.55 0.17 3.38 -1.33 0.64 115.31 117.48 1sb0 h LEU 68 Ca -0.00 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1sb0 h LEU 68 Cb 0.41 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1sb0 h LEU 68 CO 0.03 0.19 0.30 0.00 0.09 0.00 0.00 178.44 179.05 1sb0 h ALA 69 N 0.36 0.71 -0.15 1.53 0.00 -0.38 -0.36 119.26 120.98 1sb0 h ALA 69 Ca -0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sb0 h ALA 69 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1sb0 h ALA 69 CO 0.03 -0.03 -0.11 1.49 0.00 0.00 0.00 179.25 180.63 1sb0 h GLU 70 N 0.58 -0.11 -0.24 0.00 4.81 -0.68 0.95 114.58 119.89 1sb0 h GLU 70 Ca 0.24 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1sb0 h GLU 70 Cb 0.12 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1sb0 h GLU 70 CO -0.15 -0.07 -0.24 -0.22 -0.73 0.00 0.00 179.01 177.60 1sb0 h LYS 71 N -0.11 -0.23 -0.19 1.92 1.63 -0.05 0.12 116.57 119.65 1sb0 h LYS 71 Ca 0.09 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1sb0 h LYS 71 Cb 0.25 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.88 1sb0 h LYS 71 CO -0.22 -0.16 -0.16 0.82 -3.45 0.00 0.00 179.45 176.28 1sb0 h ILE 72 N -0.24 0.56 -0.17 2.00 2.04 -0.76 0.09 117.51 121.03 1sb0 h ILE 72 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1sb0 h ILE 72 Cb 0.45 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1sb0 h ILE 72 CO -0.38 0.00 -0.43 0.22 0.00 0.00 0.00 178.15 177.56 1sb0 h TYR 73 N -0.17 -1.23 -0.11 1.37 5.03 0.09 0.11 116.97 122.06 1sb0 h TYR 73 Ca 0.12 0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.51 1sb0 h TYR 73 Cb 0.34 0.56 -0.03 0.00 1.55 0.00 0.00 36.73 39.16 1sb0 h TYR 73 CO -0.30 -0.47 -0.07 0.87 -1.32 0.00 0.00 178.16 176.86 1sb0 h LYS 74 N -0.47 -0.07 -0.05 1.82 1.57 -0.57 -0.50 116.57 118.30 1sb0 h LYS 74 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1sb0 h LYS 74 Cb 0.62 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1sb0 h LYS 74 CO -0.43 -0.04 -0.51 0.82 -0.57 0.00 0.00 179.45 178.72 1sb0 h ILE 75 N -0.07 0.03 -0.19 1.86 2.04 -0.32 0.13 117.51 120.99 1sb0 h ILE 75 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1sb0 h ILE 75 Cb 0.17 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 1sb0 h ILE 75 CO -0.16 0.00 -0.20 1.56 0.00 0.00 0.00 178.15 179.35 1sb0 h GLN 76 N -0.62 -0.21 -1.01 2.37 1.08 -0.77 0.22 115.11 116.17 1sb0 h GLN 76 Ca 0.03 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.35 1sb0 h GLN 76 Cb 0.70 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 28.10 1sb0 h GLN 76 CO -0.38 -0.14 0.64 0.87 -0.95 0.00 0.00 178.83 178.87 1sb0 h LYS 77 N -0.22 1.03 0.32 1.46 1.79 -0.59 -0.22 116.57 120.14 1sb0 h LYS 77 Ca 0.12 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1sb0 h LYS 77 Cb 0.40 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1sb0 h LYS 77 CO -0.32 0.68 -0.15 0.93 -1.08 0.00 0.00 179.45 179.51 1sb0 h GLU 78 N 1.06 -0.41 -0.98 3.15 4.39 -0.14 -3.34 114.58 118.31 1sb0 h GLU 78 Ca 0.48 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.35 1sb0 h GLU 78 Cb 0.38 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.03 1sb0 h GLU 78 CO -0.23 -0.26 0.62 -0.07 -1.16 0.00 0.00 179.01 177.90 1sb0 h LEU 79 N -1.11 0.82 0.00 1.33 -0.00 -0.46 -1.13 115.31 114.76 1sb0 h LEU 79 Ca -0.04 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1sb0 h LEU 79 Cb 0.34 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1sb0 h LEU 79 CO 0.07 0.38 0.00 -1.84 -0.00 0.00 0.00 178.44 177.05 1sb0 n GLU 80 N -4.65 0.02 -0.23 1.13 0.28 -0.10 -4.52 120.64 112.56 1sb0 n GLU 80 Ca 0.20 0.18 0.02 0.00 -0.16 0.00 0.00 57.16 57.40 1sb0 n GLU 80 Cb 0.46 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.90 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sb0 n GLU 81 N -1.49 -0.09 -1.80 3.44 -0.58 -0.43 -1.93 120.64 117.77 1sb0 n GLU 81 Ca 0.05 0.97 -0.38 0.00 -0.42 0.00 0.00 57.16 57.38 1sb0 n GLU 81 Cb 0.21 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 1sb0 n GLU 81 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1sb0 n LYS 82 N -4.99 2.00 0.00 3.49 4.81 -1.26 -4.91 118.16 117.30 1sb0 n LYS 82 Ca 0.09 -2.41 0.00 0.00 -0.87 0.00 0.00 58.31 55.12 1sb0 n LYS 82 Cb 0.29 -3.36 0.00 0.00 0.02 0.00 0.00 35.03 31.98 1sb0 n LYS 82 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sb0 n ARG 83 N 7.58 1.34 -0.90 1.64 1.74 -0.81 -4.80 116.66 122.44 1sb0 n ARG 83 Ca 0.48 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 57.13 1sb0 n ARG 83 Cb 0.43 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.79 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 0.87 -1.08 5.56 1.74 -1.26 -4.81 116.66 117.68 1sb0 n ARG 84 Ca 0.00 -1.51 -0.27 0.00 -0.77 0.00 0.00 57.85 55.30 1sb0 n ARG 84 Cb 0.00 -2.77 -0.07 0.00 -1.02 0.00 0.00 32.46 28.60 1sb0 n ARG 84 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1sb0 n SER 85 N 8.37 6.84 -3.33 0.55 7.64 -1.26 -4.81 113.62 127.63 1sb0 n SER 85 Ca 0.48 -2.47 -0.35 0.00 1.01 0.00 0.00 58.87 57.55 1sb0 n SER 85 Cb 0.41 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 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 3.37 3.11 0.00 1.43 5.12 -1.26 -5.22 116.66 123.21 1sb0 n ARG 86 Ca 0.60 -2.04 0.00 0.00 -1.93 0.00 0.00 57.85 54.48 1sb0 n ARG 86 Cb 0.40 -2.77 0.00 0.00 -1.16 0.00 0.00 32.46 28.93 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59