#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 2.86 -2.50 1.61 0.31 -1.26 -4.92 118.33 114.43 1sb0 n VAL 2 Ca 0.00 -2.55 -0.43 0.00 -0.01 0.00 0.00 64.34 61.35 1sb0 n VAL 2 Cb 0.00 -2.48 -0.02 0.00 -0.91 0.00 0.00 33.84 30.43 1sb0 n VAL 2 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1sb0 s ARG 3 N 4.01 3.98 -0.01 5.55 3.00 -1.26 -4.75 118.95 129.47 1sb0 s ARG 3 Ca 0.52 1.19 0.01 0.00 -1.00 0.00 0.00 55.73 56.46 1sb0 s ARG 3 Cb 0.13 -3.83 0.02 0.00 0.00 0.00 0.00 34.95 31.27 1sb0 s ARG 3 CO 0.00 -1.03 0.82 1.17 0.00 0.00 0.00 175.30 176.26 1sb0 n LYS 4 N 7.15 1.57 0.00 5.12 3.00 -1.26 -5.00 118.16 128.73 1sb0 n LYS 4 Ca 0.14 -1.16 0.00 0.00 -0.00 0.00 0.00 58.31 57.28 1sb0 n LYS 4 Cb 0.47 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 34.68 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 -0.35 1.31 0.22 3.14 0.00 -1.26 -4.18 105.19 104.07 1sb0 n GLY 5 Ca 0.01 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.23 115.95 116.59 1sb0 h TRP 6 Ca 0.00 0.00 0.23 0.00 1.08 0.00 0.00 58.89 60.20 1sb0 h TRP 6 Cb 0.00 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.02 1sb0 h TRP 6 CO 0.00 0.00 0.21 1.12 -1.28 0.00 0.00 178.44 178.49 1sb0 h HIS 7 N 0.00 0.31 -0.94 0.12 2.07 -1.86 0.17 115.15 115.03 1sb0 h HIS 7 Ca 0.00 0.05 0.34 0.00 -2.85 0.00 0.00 60.37 57.91 1sb0 h HIS 7 Cb 0.52 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 30.33 1sb0 h HIS 7 CO 0.00 -0.21 0.32 -1.91 -3.07 0.00 0.00 177.93 173.05 1sb0 n GLU 8 N -5.24 -0.06 0.00 5.12 2.13 -1.22 -0.81 120.64 120.56 1sb0 n GLU 8 Ca 0.21 1.33 0.14 0.00 0.66 0.00 0.00 57.16 59.50 1sb0 n GLU 8 Cb 0.66 -2.28 0.48 0.00 0.27 0.00 0.00 31.44 30.57 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 -5.22 0.00 -3.57 4.31 8.25 0.59 -4.56 115.22 115.02 1sb0 n HIS 9 Ca 0.30 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 1sb0 n HIS 9 Cb 1.02 -0.08 -0.12 0.00 1.12 0.00 0.00 29.99 31.92 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 -2.30 0.68 0.76 1.59 1.01 0.01 -5.05 120.40 117.10 1sb0 s VAL 10 Ca 0.31 -2.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.15 1sb0 s VAL 10 Cb 0.20 -1.49 0.11 0.00 0.00 0.00 0.00 36.38 35.20 1sb0 s VAL 10 CO 0.44 -0.95 1.07 0.42 0.00 0.00 0.00 175.10 176.08 1sb0 s THR 11 N 0.76 2.19 0.32 3.92 -4.23 -1.26 -4.79 115.64 112.56 1sb0 s THR 11 Ca 0.18 -0.31 0.10 0.00 -1.18 0.00 0.00 61.69 60.49 1sb0 s THR 11 Cb -0.23 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.04 1sb0 s THR 11 CO 0.01 0.00 1.69 -0.61 -0.54 0.00 0.00 174.62 175.17 1sb0 h GLN 12 N -0.79 0.42 0.51 3.99 -0.00 -1.98 0.71 115.11 117.98 1sb0 h GLN 12 Ca -0.42 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.19 1sb0 h GLN 12 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 1sb0 h GLN 12 CO 0.50 0.28 -0.39 -0.44 0.00 0.00 0.00 178.83 178.78 1sb0 h ASP 13 N 0.43 -1.02 -0.66 -0.69 5.19 -1.99 0.12 116.42 117.80 1sb0 h ASP 13 Ca 0.67 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 57.09 1sb0 h ASP 13 Cb 1.38 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 41.18 1sb0 h ASP 13 CO -0.55 -0.57 0.17 0.25 -3.12 0.00 0.00 179.24 175.42 1sb0 h LEU 14 N -0.88 0.99 -0.28 1.55 5.85 -1.66 -0.20 115.31 120.68 1sb0 h LEU 14 Ca -0.06 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1sb0 h LEU 14 Cb 0.75 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1sb0 h LEU 14 CO 0.01 0.96 -0.08 0.03 -0.34 0.00 0.00 178.44 179.02 1sb0 h ARG 15 N 0.98 -0.01 0.06 1.25 3.08 -0.70 0.21 114.38 119.24 1sb0 h ARG 15 Ca 0.21 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1sb0 h ARG 15 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1sb0 h ARG 15 CO 0.00 -0.01 -0.12 1.03 -1.07 0.00 0.00 179.97 179.81 1sb0 h SER 16 N -0.01 -0.33 -0.70 7.04 0.87 -0.40 0.88 113.55 120.90 1sb0 h SER 16 Ca 0.14 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.85 1sb0 h SER 16 Cb 0.22 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 1sb0 h SER 16 CO -0.30 -0.17 0.31 -0.74 -0.53 0.00 0.00 176.83 175.40 1sb0 h HIS 17 N -0.23 0.54 -0.17 2.24 6.17 -0.59 0.77 115.15 123.88 1sb0 h HIS 17 Ca 0.02 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.12 1sb0 h HIS 17 Cb 0.25 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1sb0 h HIS 17 CO -0.15 0.15 0.02 -0.07 0.71 0.00 0.00 177.93 178.59 1sb0 h LEU 18 N 0.51 0.27 -0.42 0.26 3.38 -0.23 -0.86 115.31 118.21 1sb0 h LEU 18 Ca 0.36 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1sb0 h LEU 18 Cb 0.45 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1sb0 h LEU 18 CO -0.32 0.47 0.01 0.58 0.09 0.00 0.00 178.44 179.27 1sb0 h VAL 19 N 0.06 0.68 -0.28 1.22 2.07 -0.00 0.37 116.25 120.38 1sb0 h VAL 19 Ca 0.05 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1sb0 h VAL 19 Cb 0.31 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1sb0 h VAL 19 CO 0.00 0.02 -0.17 -0.74 0.02 0.00 0.00 177.57 176.70 1sb0 h HIS 20 N 0.12 -0.43 -0.70 1.57 -0.00 -0.74 -0.26 115.15 114.70 1sb0 h HIS 20 Ca 0.21 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.66 1sb0 h HIS 20 Cb 0.30 0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.90 1sb0 h HIS 20 CO -0.27 -0.25 0.46 0.87 -0.00 0.00 0.00 177.93 178.74 1sb0 h LYS 21 N -0.15 0.77 0.21 5.26 6.56 0.18 0.16 116.57 129.57 1sb0 h LYS 21 Ca 0.15 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1sb0 h LYS 21 Cb 0.37 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 1sb0 h LYS 21 CO -0.37 0.51 -0.23 -0.07 -2.06 0.00 0.00 179.45 177.23 1sb0 h LEU 22 N 0.79 -0.62 -0.23 2.94 3.38 0.75 0.14 115.31 122.47 1sb0 h LEU 22 Ca 0.29 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1sb0 h LEU 22 Cb 0.15 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1sb0 h LEU 22 CO -0.09 -0.34 -0.14 0.58 0.09 0.00 0.00 178.44 178.54 1sb0 h VAL 23 N -0.48 0.58 -0.14 1.22 2.07 0.10 -0.43 116.25 119.17 1sb0 h VAL 23 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sb0 h VAL 23 Cb 0.46 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1sb0 h VAL 23 CO -0.06 0.00 0.07 1.56 0.02 0.00 0.00 177.57 179.16 1sb0 h GLN 24 N -0.13 0.15 -0.47 1.57 1.08 -0.50 0.49 115.11 117.30 1sb0 h GLN 24 Ca 0.13 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.20 1sb0 h GLN 24 Cb 0.32 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1sb0 h GLN 24 CO -0.31 0.10 -0.17 0.00 -0.95 0.00 0.00 178.83 177.50 1sb0 h ALA 25 N 1.07 0.81 -0.14 3.87 0.00 -0.40 -0.04 119.26 124.44 1sb0 h ALA 25 Ca 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1sb0 h ALA 25 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sb0 h ALA 25 CO -0.04 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.57 1sb0 h ILE 26 N 0.80 1.34 -2.29 0.00 2.04 -1.01 -3.44 117.51 114.96 1sb0 h ILE 26 Ca 0.12 -1.24 -0.46 0.00 1.00 0.00 0.00 64.86 64.27 1sb0 h ILE 26 Cb 0.71 1.85 -0.35 0.00 -0.74 0.00 0.00 36.82 38.29 1sb0 h ILE 26 CO 0.05 0.36 -0.75 0.12 0.00 0.00 0.00 178.15 177.94 1sb0 s PHE 27 N -4.37 0.12 -0.18 1.37 2.19 0.17 -5.01 117.98 112.26 1sb0 s PHE 27 Ca -0.14 -1.04 -0.29 0.00 0.33 0.00 0.00 56.93 55.78 1sb0 s PHE 27 Cb 0.05 -0.65 -0.04 0.00 -1.31 0.00 0.00 43.02 41.07 1sb0 s PHE 27 CO 0.74 -0.90 1.85 -1.25 1.83 0.00 0.00 175.22 177.49 1sb0 s PRO 28 N 1.48 3.65 -0.22 10.12 0.04 -0.06 -3.76 135.00 146.24 1sb0 s PRO 28 Ca 0.16 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1sb0 s PRO 28 Cb -0.18 -4.16 0.01 0.00 0.04 0.00 0.00 34.50 30.21 1sb0 s PRO 28 CO -0.09 -1.49 1.06 0.95 0.04 0.00 0.00 177.00 177.47 1sb0 s THR 29 N 6.00 4.64 0.30 1.26 -4.23 -1.26 -4.93 115.64 117.42 1sb0 s THR 29 Ca 0.83 1.98 0.06 0.00 -1.18 0.00 0.00 61.69 63.38 1sb0 s THR 29 Cb -0.30 -4.28 0.30 0.00 1.34 0.00 0.00 72.50 69.56 1sb0 s THR 29 CO 0.33 -0.18 1.76 -0.65 -0.54 0.00 0.00 174.62 175.35 1sb0 h PRO 30 N 7.52 0.69 -3.10 3.99 0.11 -2.02 -3.41 132.00 135.79 1sb0 h PRO 30 Ca -0.20 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.66 1sb0 h PRO 30 Cb 1.06 -0.16 -0.30 0.00 0.11 0.00 0.00 31.00 31.72 1sb0 h PRO 30 CO 0.98 0.46 -0.51 0.34 -0.21 0.00 0.00 178.00 179.05 1sb0 s ASP 31 N -5.37 -0.22 0.32 -2.05 -1.08 -1.26 -5.05 116.67 101.97 1sb0 s ASP 31 Ca -0.11 0.45 0.10 0.00 -0.52 0.00 0.00 52.55 52.47 1sb0 s ASP 31 Cb 0.25 0.35 0.96 0.00 -1.46 0.00 0.00 42.92 43.02 1sb0 s ASP 31 CO 0.80 -0.15 1.64 -0.65 0.52 0.00 0.00 175.17 177.33 1sb0 h PRO 32 N 7.09 0.21 -0.84 4.34 0.11 -2.03 0.37 132.00 141.26 1sb0 h PRO 32 Ca -0.40 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.89 1sb0 h PRO 32 Cb 1.16 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1sb0 h PRO 32 CO 0.39 0.14 0.57 0.00 -0.21 0.00 0.00 178.00 178.89 1sb0 h ALA 33 N 1.86 2.29 -0.14 -0.75 0.00 -1.98 -0.34 119.26 120.21 1sb0 h ALA 33 Ca 0.67 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.63 1sb0 h ALA 33 Cb 1.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1sb0 h ALA 33 CO -0.67 -0.55 0.23 0.00 0.00 0.00 0.00 179.25 178.26 1sb0 h ALA 34 N 1.62 1.60 -0.48 0.00 0.00 -1.34 -1.70 119.26 118.96 1sb0 h ALA 34 Ca 0.43 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.47 1sb0 h ALA 34 Cb 1.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1sb0 h ALA 34 CO -0.13 -0.30 0.57 -0.07 0.00 0.00 0.00 179.25 179.32 1sb0 h LEU 35 N 0.00 0.00 -2.06 0.00 3.38 -1.21 -0.39 115.31 115.04 1sb0 h LEU 35 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sb0 h LEU 35 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1sb0 h LEU 35 CO -0.00 0.00 -0.09 0.07 0.09 0.00 0.00 178.44 178.51 1sb0 h LYS 36 N 0.00 0.00 -6.81 1.13 2.10 -1.53 -3.23 116.57 108.23 1sb0 h LYS 36 Ca 0.23 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.35 1sb0 h LYS 36 Cb 1.37 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.76 1sb0 h LYS 36 CO -0.00 0.09 0.72 0.34 -2.00 0.00 0.00 179.45 178.60 1sb0 s ASP 37 N -6.10 6.66 0.28 7.07 -1.08 -0.16 -4.71 116.67 118.64 1sb0 s ASP 37 Ca -0.03 2.71 -0.06 0.00 -0.52 0.00 0.00 52.55 54.64 1sb0 s ASP 37 Cb 0.13 -2.64 0.51 0.00 -1.46 0.00 0.00 42.92 39.47 1sb0 s ASP 37 CO 0.57 -0.67 1.57 -0.09 0.52 0.00 0.00 175.17 177.07 1sb0 h ARG 38 N 4.33 0.00 -0.52 4.34 2.43 -1.90 0.30 114.38 123.37 1sb0 h ARG 38 Ca -0.47 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1sb0 h ARG 38 Cb 1.22 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1sb0 h ARG 38 CO 0.73 0.00 0.32 0.00 -1.51 0.00 0.00 179.97 179.51 1sb0 h ARG 39 N 0.00 0.70 -0.31 0.20 3.08 -1.94 0.46 114.38 116.58 1sb0 h ARG 39 Ca 0.49 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 1sb0 h ARG 39 Cb 0.82 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1sb0 h ARG 39 CO -0.98 0.50 0.04 0.52 -1.07 0.00 0.00 179.97 178.98 1sb0 h MET 40 N 0.70 0.52 -0.69 0.04 2.86 -0.82 -0.53 114.93 117.01 1sb0 h MET 40 Ca 0.19 -0.14 0.10 0.00 -2.06 0.00 0.00 59.70 57.79 1sb0 h MET 40 Cb -0.03 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.50 1sb0 h MET 40 CO -0.04 0.62 0.31 0.93 1.06 0.00 0.00 176.91 179.79 1sb0 h GLU 41 N 0.34 0.50 -0.26 1.72 5.08 -0.33 0.36 114.58 121.99 1sb0 h GLU 41 Ca 0.09 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1sb0 h GLU 41 Cb 0.36 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1sb0 h GLU 41 CO 0.01 0.33 0.11 -0.97 -1.00 0.00 0.00 179.01 177.48 1sb0 h ASN 42 N 0.51 0.14 -0.73 1.42 -0.00 -0.65 0.40 115.58 116.68 1sb0 h ASN 42 Ca 0.35 0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.60 1sb0 h ASN 42 Cb 0.42 -0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.70 1sb0 h ASN 42 CO -0.30 0.12 0.19 0.25 -0.00 0.00 0.00 177.43 177.68 1sb0 h LEU 43 N 0.24 1.09 0.12 0.34 5.85 0.32 0.39 115.31 123.65 1sb0 h LEU 43 Ca 0.11 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1sb0 h LEU 43 Cb 0.06 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1sb0 h LEU 43 CO -0.09 1.04 -0.07 0.58 -0.34 0.00 0.00 178.44 179.56 1sb0 h VAL 44 N 1.10 0.86 -0.28 1.05 2.07 -0.14 0.18 116.25 121.09 1sb0 h VAL 44 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 1sb0 h VAL 44 Cb 0.36 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1sb0 h VAL 44 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 1sb0 h ALA 45 N 0.71 0.24 -0.18 1.67 0.00 -0.66 0.10 119.26 121.14 1sb0 h ALA 45 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1sb0 h ALA 45 Cb 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1sb0 h ALA 45 CO 0.02 -0.42 -0.16 -0.92 0.00 0.00 0.00 179.25 177.77 1sb0 h TYR 46 N 0.07 -0.40 -0.56 0.00 5.03 -0.67 -0.11 116.97 120.33 1sb0 h TYR 46 Ca 0.13 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.50 1sb0 h TYR 46 Cb 0.18 0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 1sb0 h TYR 46 CO -0.22 -0.23 0.32 0.00 -1.32 0.00 0.00 178.16 176.71 1sb0 h ALA 47 N 0.92 0.73 0.19 1.82 0.00 -0.05 0.14 119.26 123.02 1sb0 h ALA 47 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sb0 h ALA 47 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sb0 h ALA 47 CO -0.29 0.03 -0.21 0.87 0.00 0.00 0.00 179.25 179.65 1sb0 h LYS 48 N 0.64 -0.42 -0.10 0.00 1.57 -0.46 0.13 116.57 117.93 1sb0 h LYS 48 Ca 0.23 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1sb0 h LYS 48 Cb 0.07 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1sb0 h LYS 48 CO -0.12 -0.28 -0.34 -0.22 -0.57 0.00 0.00 179.45 177.91 1sb0 h LYS 49 N -0.44 -0.42 -0.30 3.15 3.64 -0.50 0.34 116.57 122.04 1sb0 h LYS 49 Ca 0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1sb0 h LYS 49 Cb 0.42 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1sb0 h LYS 49 CO -0.06 -0.28 0.13 0.28 -2.27 0.00 0.00 179.45 177.25 1sb0 h VAL 50 N -0.44 0.97 -0.36 2.00 2.07 -0.63 0.12 116.25 119.97 1sb0 h VAL 50 Ca 0.08 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1sb0 h VAL 50 Cb 0.57 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1sb0 h VAL 50 CO -0.34 0.05 0.04 -0.08 0.02 0.00 0.00 177.57 177.26 1sb0 h GLU 51 N 0.29 0.15 -0.08 1.57 4.22 -0.29 0.79 114.58 121.23 1sb0 h GLU 51 Ca 0.13 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.60 1sb0 h GLU 51 Cb 0.06 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1sb0 h GLU 51 CO -0.10 0.10 -0.19 0.78 -2.18 0.00 0.00 179.01 177.41 1sb0 h GLY 52 N 0.15 -0.20 0.26 1.92 0.00 -0.42 0.12 103.07 104.89 1sb0 h GLY 52 Ca 0.17 0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.83 1sb0 h GLY 52 CO -0.26 -0.18 0.01 -1.80 0.00 0.00 0.00 176.54 174.32 1sb0 h ASP 53 N -0.27 -0.17 -0.55 0.19 3.58 -0.12 0.33 116.42 119.41 1sb0 h ASP 53 Ca 0.08 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 1sb0 h ASP 53 Cb 0.39 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1sb0 h ASP 53 CO -0.24 -0.05 0.24 0.24 -2.88 0.00 0.00 179.24 176.55 1sb0 h MET 54 N 0.13 0.82 -0.71 0.28 2.86 -0.51 0.96 114.93 118.75 1sb0 h MET 54 Ca 0.23 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1sb0 h MET 54 Cb 0.34 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1sb0 h MET 54 CO -0.37 0.70 0.39 -0.92 1.06 0.00 0.00 176.91 177.76 1sb0 h TYR 55 N 0.75 0.70 -0.32 -0.22 5.03 0.33 0.18 116.97 123.42 1sb0 h TYR 55 Ca 0.19 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.47 1sb0 h TYR 55 Cb 0.18 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 1sb0 h TYR 55 CO 0.00 0.30 -0.02 0.93 -1.32 0.00 0.00 178.16 178.05 1sb0 h GLU 56 N 0.68 0.59 -0.26 1.82 4.39 -0.66 -3.32 114.58 117.82 1sb0 h GLU 56 Ca 0.34 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 1sb0 h GLU 56 Cb 0.28 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1sb0 h GLU 56 CO -0.22 0.73 -0.35 0.77 -1.16 0.00 0.00 179.01 178.78 1sb0 h SER 57 N 0.38 0.76 -2.80 1.42 0.02 -0.07 -3.44 113.55 109.81 1sb0 h SER 57 Ca 0.09 -0.50 -0.56 0.00 -0.84 0.00 0.00 61.79 59.97 1sb0 h SER 57 Cb 0.48 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1sb0 h SER 57 CO 0.02 1.11 1.06 0.00 -1.14 0.00 0.00 176.83 177.88 1sb0 s ALA 58 N -4.23 3.44 -2.03 3.77 0.00 0.55 -4.89 121.76 118.37 1sb0 s ALA 58 Ca -0.12 0.54 0.28 0.00 0.00 0.00 0.00 51.96 52.66 1sb0 s ALA 58 Cb 0.08 -3.77 1.67 0.00 0.00 0.00 0.00 23.12 21.10 1sb0 s ALA 58 CO 0.84 -1.64 2.08 -1.71 0.00 0.00 0.00 175.76 175.32 1sb0 n ASN 59 N 7.68 0.09 -3.65 0.00 4.05 -1.26 -4.84 115.26 117.33 1sb0 n ASN 59 Ca 0.17 -1.13 -0.12 0.00 0.45 0.00 0.00 54.58 53.95 1sb0 n ASN 59 Cb 0.45 -0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.40 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1sb0 s SER 60 N -1.89 -0.26 0.15 1.20 1.04 -1.26 -4.89 113.70 107.78 1sb0 s SER 60 Ca 0.43 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.56 1sb0 s SER 60 Cb 0.20 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1sb0 s SER 60 CO 0.33 -0.76 1.72 -0.09 0.98 0.00 0.00 173.24 175.42 1sb0 h ARG 61 N 2.68 0.72 -0.48 4.02 2.43 -1.90 0.63 114.38 122.48 1sb0 h ARG 61 Ca -0.33 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1sb0 h ARG 61 Cb 1.23 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 1sb0 h ARG 61 CO 0.45 0.62 0.22 0.38 -1.51 0.00 0.00 179.97 180.14 1sb0 h ASP 62 N 0.65 0.30 0.01 -3.80 2.03 -1.99 0.58 116.42 114.20 1sb0 h ASP 62 Ca 0.17 0.04 0.01 0.00 -0.73 0.00 0.00 57.03 56.51 1sb0 h ASP 62 Cb 0.15 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1sb0 h ASP 62 CO -0.02 0.21 -0.04 -0.08 -1.03 0.00 0.00 179.24 178.29 1sb0 h GLU 63 N 0.44 -0.07 -0.41 4.15 4.57 -1.86 0.41 114.58 121.81 1sb0 h GLU 63 Ca 0.22 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.49 1sb0 h GLU 63 Cb 0.16 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 1sb0 h GLU 63 CO -0.17 -0.05 -0.21 -0.92 -1.18 0.00 0.00 179.01 176.48 1sb0 h TYR 64 N -0.07 -0.53 0.07 0.92 3.20 -0.43 0.24 116.97 120.37 1sb0 h TYR 64 Ca 0.01 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1sb0 h TYR 64 Cb 0.09 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1sb0 h TYR 64 CO -0.11 -0.29 -0.17 1.88 -1.64 0.00 0.00 178.16 177.83 1sb0 h TYR 65 N -0.13 -0.45 0.42 -3.82 0.05 -0.72 -2.31 116.97 110.01 1sb0 h TYR 65 Ca 0.20 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 1sb0 h TYR 65 Cb 0.44 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1sb0 h TYR 65 CO -0.45 -0.25 -0.37 1.25 -1.05 0.00 0.00 178.16 177.28 1sb0 h HIS 66 N -0.32 -1.03 0.00 4.88 2.76 0.51 -0.56 115.15 121.40 1sb0 h HIS 66 Ca 0.03 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1sb0 h HIS 66 Cb 0.35 0.39 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 1sb0 h HIS 66 CO -0.19 -0.51 -0.13 1.37 -1.30 0.00 0.00 177.93 177.17 1sb0 h LEU 67 N -0.78 0.00 0.57 0.26 8.10 -0.67 0.15 115.31 122.94 1sb0 h LEU 67 Ca -0.05 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 1sb0 h LEU 67 Cb 0.66 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1sb0 h LEU 67 CO -0.02 0.13 -0.27 -0.07 -4.11 0.00 0.00 178.44 174.10 1sb0 h LEU 68 N 0.00 -0.65 -0.39 0.17 3.38 -1.18 0.13 115.31 116.77 1sb0 h LEU 68 Ca -0.00 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1sb0 h LEU 68 Cb 0.31 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1sb0 h LEU 68 CO 0.02 -0.33 -0.00 0.00 0.09 0.00 0.00 178.44 178.22 1sb0 h ALA 69 N -0.69 0.35 -0.28 1.53 0.00 -0.46 -0.26 119.26 119.46 1sb0 h ALA 69 Ca -0.08 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1sb0 h ALA 69 Cb 0.65 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1sb0 h ALA 69 CO 0.13 -0.40 -0.02 1.49 0.00 0.00 0.00 179.25 180.45 1sb0 h GLU 70 N 0.10 0.05 -0.15 0.00 4.81 -0.76 -0.38 114.58 118.25 1sb0 h GLU 70 Ca 0.19 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1sb0 h GLU 70 Cb 0.27 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1sb0 h GLU 70 CO -0.32 0.03 -0.11 -0.22 -0.73 0.00 0.00 179.01 177.66 1sb0 h LYS 71 N 0.05 -0.11 -0.14 1.92 1.63 0.36 0.17 116.57 120.45 1sb0 h LYS 71 Ca 0.14 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1sb0 h LYS 71 Cb 0.19 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.78 1sb0 h LYS 71 CO -0.25 -0.07 -0.32 0.82 -3.45 0.00 0.00 179.45 176.17 1sb0 h ILE 72 N -0.11 0.28 -0.27 2.00 2.04 -0.75 0.15 117.51 120.85 1sb0 h ILE 72 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1sb0 h ILE 72 Cb 0.25 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 1sb0 h ILE 72 CO -0.22 0.00 -0.23 0.22 0.00 0.00 0.00 178.15 177.92 1sb0 h TYR 73 N -0.39 -0.60 0.05 1.37 5.03 -0.48 -0.66 116.97 121.29 1sb0 h TYR 73 Ca 0.10 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.46 1sb0 h TYR 73 Cb 0.55 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 1sb0 h TYR 73 CO -0.41 -0.31 -0.15 0.87 -1.32 0.00 0.00 178.16 176.84 1sb0 h LYS 74 N -0.22 -0.27 -0.19 1.82 1.57 -0.34 -0.63 116.57 118.31 1sb0 h LYS 74 Ca 0.15 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1sb0 h LYS 74 Cb 0.45 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 1sb0 h LYS 74 CO -0.40 -0.18 -0.38 0.82 -0.57 0.00 0.00 179.45 178.74 1sb0 h ILE 75 N -0.28 0.19 -0.02 1.86 2.04 0.17 0.29 117.51 121.77 1sb0 h ILE 75 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1sb0 h ILE 75 Cb 0.31 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1sb0 h ILE 75 CO -0.11 0.00 -0.42 1.56 0.00 0.00 0.00 178.15 179.18 1sb0 h GLN 76 N -0.42 -0.54 0.26 2.37 1.08 -0.97 0.20 115.11 117.09 1sb0 h GLN 76 Ca 0.10 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1sb0 h GLN 76 Cb 0.59 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1sb0 h GLN 76 CO -0.42 -0.36 -0.17 0.87 -0.95 0.00 0.00 178.83 177.80 1sb0 h LYS 77 N -0.56 -0.41 0.20 1.46 1.79 -0.43 0.18 116.57 118.80 1sb0 h LYS 77 Ca 0.05 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1sb0 h LYS 77 Cb 0.65 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1sb0 h LYS 77 CO -0.33 -0.27 -0.10 0.93 -1.08 0.00 0.00 179.45 178.60 1sb0 h GLU 78 N -0.42 -0.26 0.01 3.15 5.08 -0.37 -3.25 114.58 118.52 1sb0 h GLU 78 Ca -0.02 0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1sb0 h GLU 78 Cb 0.36 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1sb0 h GLU 78 CO 0.02 -0.15 -1.01 -0.07 -1.00 0.00 0.00 179.01 176.80 1sb0 h LEU 79 N -0.29 0.02 0.00 1.33 4.07 -0.94 -3.45 115.31 116.05 1sb0 h LEU 79 Ca -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1sb0 h LEU 79 Cb 0.23 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1sb0 h LEU 79 CO 0.04 1.02 0.00 1.21 -1.08 0.00 0.00 178.44 179.64 1sb0 n GLU 80 N -3.36 0.00 -0.32 1.13 4.07 0.62 0.08 120.64 122.86 1sb0 n GLU 80 Ca -0.01 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1sb0 n GLU 80 Cb 0.95 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 32.49 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 0.94 -0.83 5.31 4.39 -1.87 0.21 114.58 122.73 1sb0 h GLU 81 Ca 0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1sb0 h GLU 81 Cb 0.00 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.40 1sb0 h GLU 81 CO 0.00 0.62 0.46 -0.22 -1.16 0.00 0.00 179.01 178.71 1sb0 h LYS 82 N 0.97 1.15 -0.56 2.33 3.11 -0.68 -0.16 116.57 122.73 1sb0 h LYS 82 Ca 0.40 -0.13 -0.01 0.00 -2.81 0.00 0.00 60.65 58.11 1sb0 h LYS 82 Cb 0.25 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 1sb0 h LYS 82 CO -0.20 0.84 0.33 0.00 -2.81 0.00 0.00 179.45 177.62 1sb0 h ARG 83 N 1.15 0.77 0.04 1.90 2.47 -0.67 -2.52 114.38 117.52 1sb0 h ARG 83 Ca 0.29 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1sb0 h ARG 83 Cb 0.02 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1sb0 h ARG 83 CO -0.05 0.57 -0.08 0.00 0.56 0.00 0.00 179.97 180.97 1sb0 h ARG 84 N 0.76 -0.16 -4.59 0.04 3.08 -0.52 -3.27 114.38 109.72 1sb0 h ARG 84 Ca 0.20 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.63 1sb0 h ARG 84 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1sb0 h ARG 84 CO -0.04 -0.10 2.35 0.45 -1.07 0.00 0.00 179.97 181.56 1sb0 n SER 85 N -5.20 3.14 -2.77 7.04 2.88 -0.10 -4.86 113.62 113.75 1sb0 n SER 85 Ca -0.06 -2.74 -0.07 0.00 -1.33 0.00 0.00 58.87 54.66 1sb0 n SER 85 Cb 0.13 -1.39 -0.02 0.00 -0.75 0.00 0.00 64.21 62.17 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 7.05 0.79 0.00 -1.46 5.12 -1.24 -4.84 116.66 122.08 1sb0 n ARG 86 Ca 0.50 -0.65 0.11 0.00 -1.93 0.00 0.00 57.85 55.87 1sb0 n ARG 86 Cb 0.41 -1.96 0.09 0.00 -1.16 0.00 0.00 32.46 29.84 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59