#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is7 s ASP 4 N 0.00 6.40 0.08 1.61 2.15 -1.26 -4.93 116.67 120.71 3is7 s ASP 4 Ca 0.00 2.56 -0.16 0.00 0.43 0.00 0.00 52.55 55.38 3is7 s ASP 4 Cb 0.00 -2.63 -0.13 0.00 -0.30 0.00 0.00 42.92 39.86 3is7 s ASP 4 CO 0.00 -0.78 1.33 0.50 -0.17 0.00 0.00 175.17 176.05 3is7 h LYS 5 N 2.71 0.64 -0.22 4.34 3.11 -1.99 -1.44 116.57 123.72 3is7 h LYS 5 Ca -0.49 -0.43 -0.14 0.00 -2.81 0.00 0.00 60.65 56.78 3is7 h LYS 5 Cb 1.24 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 3is7 h LYS 5 CO 0.63 1.05 -0.46 0.87 -2.81 0.00 0.00 179.45 178.72 3is7 h LYS 6 N 0.32 0.55 -0.39 1.90 1.57 -1.99 -1.27 116.57 117.27 3is7 h LYS 6 Ca 0.00 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3is7 h LYS 6 Cb 1.05 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 3is7 h LYS 6 CO 0.10 0.90 0.17 0.28 -0.57 0.00 0.00 179.45 180.33 3is7 h VAL 7 N 0.44 0.94 -0.60 0.50 2.07 -1.92 0.15 116.25 117.84 3is7 h VAL 7 Ca 0.03 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3is7 h VAL 7 Cb 0.97 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3is7 h VAL 7 CO 0.09 0.07 0.39 0.40 0.02 0.00 0.00 177.57 178.53 3is7 h ILE 8 N 0.36 1.13 -0.59 4.57 2.04 -1.01 0.19 117.51 124.20 3is7 h ILE 8 Ca 0.17 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3is7 h ILE 8 Cb 0.11 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3is7 h ILE 8 CO -0.14 0.14 0.35 1.56 0.00 0.00 0.00 178.15 180.06 3is7 h GLN 9 N 0.78 0.66 -0.27 2.37 4.20 -0.72 0.21 115.11 122.34 3is7 h GLN 9 Ca 0.22 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3is7 h GLN 9 Cb -0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3is7 h GLN 9 CO -0.06 0.44 0.16 0.45 -0.67 0.00 0.00 178.83 179.15 3is7 h HIS 10 N 0.68 0.30 -0.49 2.96 3.86 -0.02 -0.60 115.15 121.84 3is7 h HIS 10 Ca 0.24 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 3is7 h HIS 10 Cb 0.05 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3is7 h HIS 10 CO -0.06 0.18 0.32 -0.07 0.86 0.00 0.00 177.93 179.16 3is7 h LEU 11 N 0.33 0.56 -1.41 2.43 3.38 -0.12 -0.47 115.31 120.00 3is7 h LEU 11 Ca 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3is7 h LEU 11 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3is7 h LEU 11 CO -0.05 0.40 -0.17 0.78 0.09 0.00 0.00 178.44 179.50 3is7 h ASN 12 N 0.66 0.17 -0.53 -0.43 2.35 -0.44 -0.77 115.58 116.59 3is7 h ASN 12 Ca 0.18 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3is7 h ASN 12 Cb -0.07 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3is7 h ASN 12 CO -0.04 0.36 0.01 0.50 -1.65 0.00 0.00 177.43 176.60 3is7 h LYS 13 N 0.17 0.93 -0.54 0.81 3.64 0.05 -1.14 116.57 120.48 3is7 h LYS 13 Ca 0.03 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 3is7 h LYS 13 Cb 0.40 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3is7 h LYS 13 CO 0.03 0.94 0.13 0.82 -2.27 0.00 0.00 179.45 179.10 3is7 h ILE 14 N 0.80 1.24 -0.49 2.00 1.08 -0.75 -1.65 117.51 119.75 3is7 h ILE 14 Ca 0.15 -0.87 0.07 0.00 -0.39 0.00 0.00 64.86 63.82 3is7 h ILE 14 Cb 0.52 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 3is7 h ILE 14 CO 0.03 0.32 0.13 0.25 -0.69 0.00 0.00 178.15 178.19 3is7 h LEU 15 N 0.76 0.08 -0.88 1.44 5.85 -1.04 -0.29 115.31 121.23 3is7 h LEU 15 Ca 0.17 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3is7 h LEU 15 Cb 0.34 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3is7 h LEU 15 CO 0.00 0.08 0.57 1.23 -0.34 0.00 0.00 178.44 179.97 3is7 h GLY 16 N 0.29 1.29 1.21 3.75 0.00 -0.86 0.42 103.07 109.16 3is7 h GLY 16 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3is7 h GLY 16 CO -0.28 0.36 0.51 3.43 0.00 0.00 0.00 176.54 180.55 3is7 h ASN 17 N 1.09 0.93 -0.46 0.19 2.35 -0.27 -2.71 115.58 116.70 3is7 h ASN 17 Ca 0.36 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 3is7 h ASN 17 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3is7 h ASN 17 CO -0.13 0.69 0.01 -0.33 -1.65 0.00 0.00 177.43 176.03 3is7 h GLU 18 N 1.09 0.81 -0.92 0.81 4.39 -0.05 -1.87 114.58 118.83 3is7 h GLU 18 Ca 0.29 -0.25 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3is7 h GLU 18 Cb -0.09 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.42 3is7 h GLU 18 CO -0.06 0.86 0.58 -0.07 -1.16 0.00 0.00 179.01 179.16 3is7 h LEU 19 N 0.66 0.90 -0.20 1.33 3.38 -0.79 0.11 115.31 120.71 3is7 h LEU 19 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3is7 h LEU 19 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3is7 h LEU 19 CO 0.02 0.56 0.04 0.40 0.09 0.00 0.00 178.44 179.55 3is7 h ILE 20 N 1.03 1.22 -0.72 1.22 2.04 -1.35 -3.00 117.51 117.96 3is7 h ILE 20 Ca 0.41 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3is7 h ILE 20 Cb 0.22 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3is7 h ILE 20 CO -0.19 0.22 0.46 0.00 0.00 0.00 0.00 178.15 178.65 3is7 h ALA 21 N 0.84 0.93 -0.02 1.87 0.00 -0.80 -0.14 119.26 121.94 3is7 h ALA 21 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3is7 h ALA 21 Cb 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3is7 h ALA 21 CO 0.00 0.27 -0.26 0.82 0.00 0.00 0.00 179.25 180.09 3is7 h ILE 22 N 0.92 0.41 -0.25 0.00 2.04 -0.76 -0.44 117.51 119.43 3is7 h ILE 22 Ca 0.28 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.97 3is7 h ILE 22 Cb -0.03 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3is7 h ILE 22 CO -0.09 0.00 -0.51 0.78 0.00 0.00 0.00 178.15 178.33 3is7 h ASN 23 N -0.39 0.78 -0.29 1.72 4.21 -1.37 -1.49 115.58 118.76 3is7 h ASN 23 Ca 0.07 -0.40 -0.04 0.00 1.21 0.00 0.00 56.30 57.13 3is7 h ASN 23 Cb 0.48 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 3is7 h ASN 23 CO -0.24 1.15 0.00 -0.61 -1.29 0.00 0.00 177.43 176.44 3is7 h GLN 24 N 0.55 0.50 -0.32 0.81 4.15 -0.83 -1.26 115.11 118.71 3is7 h GLN 24 Ca 0.02 -0.16 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 3is7 h GLN 24 Cb 1.08 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3is7 h GLN 24 CO 0.11 0.65 -0.37 1.88 -1.93 0.00 0.00 178.83 179.16 3is7 h TYR 25 N 0.30 0.90 -0.56 3.99 0.05 -1.10 -1.52 116.97 119.02 3is7 h TYR 25 Ca 0.08 -0.26 -0.10 0.00 0.05 0.00 0.00 58.73 58.50 3is7 h TYR 25 Cb 0.42 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3is7 h TYR 25 CO 0.03 1.01 -0.04 0.35 -1.05 0.00 0.00 178.16 178.46 3is7 h PHE 26 N 0.62 1.11 -0.31 4.88 3.04 -1.20 -0.34 116.94 124.75 3is7 h PHE 26 Ca 0.06 -0.20 -0.15 0.00 3.98 0.00 0.00 57.97 61.66 3is7 h PHE 26 Cb 0.92 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 3is7 h PHE 26 CO 0.05 1.00 -0.38 1.25 -2.02 0.00 0.00 178.31 178.21 3is7 h LEU 27 N 0.92 0.86 -1.14 0.59 5.85 -1.14 -1.57 115.31 119.68 3is7 h LEU 27 Ca 0.16 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3is7 h LEU 27 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3is7 h LEU 27 CO 0.04 1.18 0.12 0.45 -0.34 0.00 0.00 178.44 179.89 3is7 h HIS 28 N 0.57 0.74 -0.14 1.25 3.86 -1.06 0.45 115.15 120.82 3is7 h HIS 28 Ca 0.04 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3is7 h HIS 28 Cb 0.97 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 3is7 h HIS 28 CO 0.07 0.63 0.05 1.03 0.86 0.00 0.00 177.93 180.57 3is7 h SER 29 N 0.70 0.20 0.77 2.45 0.87 -0.78 -0.05 113.55 117.70 3is7 h SER 29 Ca 0.16 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 3is7 h SER 29 Cb 0.26 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3is7 h SER 29 CO -0.00 0.33 -0.29 0.03 -0.53 0.00 0.00 176.83 176.37 3is7 h ARG 30 N 0.05 0.00 -0.15 2.24 -0.00 -0.92 -0.60 114.38 114.99 3is7 h ARG 30 Ca 0.04 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.47 3is7 h ARG 30 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.17 3is7 h ARG 30 CO -0.00 0.29 -0.12 0.52 0.00 0.00 0.00 179.97 180.66 3is7 h MET 31 N 0.00 0.34 -0.83 0.04 2.86 -0.75 -0.13 114.93 116.47 3is7 h MET 31 Ca -0.00 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3is7 h MET 31 Cb 0.75 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 3is7 h MET 31 CO 0.04 0.71 0.53 -1.49 1.06 0.00 0.00 176.91 177.76 3is7 h TRP 32 N -0.02 0.99 -0.14 -0.22 6.55 -0.52 -1.26 115.95 121.33 3is7 h TRP 32 Ca 0.03 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 3is7 h TRP 32 Cb 0.63 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 3is7 h TRP 32 CO 0.08 0.57 0.07 -0.91 -1.05 0.00 0.00 178.44 177.19 3is7 h ASN 33 N 1.03 0.18 -0.94 -3.49 -0.26 -1.07 0.23 115.58 111.26 3is7 h ASN 33 Ca 0.33 -0.12 0.19 0.00 -0.56 0.00 0.00 56.30 56.14 3is7 h ASN 33 Cb 0.02 -0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 37.15 3is7 h ASN 33 CO -0.12 0.25 0.60 -0.78 -1.06 0.00 0.00 177.43 176.33 3is7 h ASP 34 N 0.10 0.60 -0.03 5.81 3.58 -0.66 -0.34 116.42 125.48 3is7 h ASP 34 Ca 0.05 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3is7 h ASP 34 Cb 0.11 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3is7 h ASP 34 CO -0.01 0.24 0.00 0.79 -2.88 0.00 0.00 179.24 177.39 3is7 n TRP 35 N -4.61 0.04 -1.44 0.28 8.01 -0.51 -4.91 117.44 114.31 3is7 n TRP 35 Ca 0.20 -0.02 -0.06 0.00 -1.31 0.00 0.00 57.50 56.31 3is7 n TRP 35 Cb 0.61 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.89 3is7 n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3is7 n GLY 36 N 1.02 0.66 3.01 6.99 0.00 -0.14 -4.96 105.19 111.78 3is7 n GLY 36 Ca 0.19 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3is7 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3is7 n LEU 37 N -0.77 6.21 0.07 0.99 4.77 0.75 -4.49 117.00 124.53 3is7 n LEU 37 Ca -0.07 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 50.71 3is7 n LEU 37 Cb 0.30 -1.27 0.31 0.00 -2.33 0.00 0.00 43.42 40.44 3is7 n LEU 37 CO 0.09 1.67 0.84 0.11 -1.33 0.00 0.00 177.39 178.78 3is7 h LYS 38 N 5.51 0.34 -0.37 3.23 1.57 -1.21 -0.17 116.57 125.47 3is7 h LYS 38 Ca 0.20 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 3is7 h LYS 38 Cb 0.64 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3is7 h LYS 38 CO 1.28 0.50 -0.34 -0.09 -0.57 0.00 0.00 179.45 180.23 3is7 h ARG 39 N 0.32 0.88 -0.76 3.15 2.43 -1.45 0.22 114.38 119.17 3is7 h ARG 39 Ca 0.06 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3is7 h ARG 39 Cb 0.47 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 3is7 h ARG 39 CO 0.03 1.10 0.48 -0.07 -1.51 0.00 0.00 179.97 180.01 3is7 h LEU 40 N 0.69 0.89 -0.32 3.80 3.38 -1.52 -2.01 115.31 120.22 3is7 h LEU 40 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3is7 h LEU 40 Cb 0.93 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3is7 h LEU 40 CO 0.09 0.67 0.19 1.23 0.09 0.00 0.00 178.44 180.70 3is7 h GLY 41 N 1.04 0.47 0.97 0.83 0.00 -0.76 -1.10 103.07 104.51 3is7 h GLY 41 Ca 0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3is7 h GLY 41 CO -0.06 0.19 0.07 0.00 0.00 0.00 0.00 176.54 176.75 3is7 h ALA 42 N 1.07 0.61 -0.32 3.60 0.00 -0.87 -0.23 119.26 123.13 3is7 h ALA 42 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3is7 h ALA 42 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3is7 h ALA 42 CO -0.02 0.34 0.05 1.25 0.00 0.00 0.00 179.25 180.87 3is7 h HIS 43 N 0.63 0.56 -0.35 0.00 6.17 -1.17 -2.00 115.15 119.00 3is7 h HIS 43 Ca 0.14 -0.08 -0.06 0.00 0.71 0.00 0.00 60.37 61.08 3is7 h HIS 43 Cb 0.39 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 3is7 h HIS 43 CO 0.03 0.61 -0.04 1.49 0.71 0.00 0.00 177.93 180.73 3is7 h GLU 44 N 0.35 0.55 -0.92 5.26 4.57 -1.15 -0.24 114.58 123.00 3is7 h GLU 44 Ca 0.10 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3is7 h GLU 44 Cb 0.35 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3is7 h GLU 44 CO 0.01 0.60 0.58 -0.92 -1.18 0.00 0.00 179.01 178.10 3is7 h TYR 45 N 0.52 1.18 -0.41 0.92 3.20 -0.61 -1.53 116.97 120.25 3is7 h TYR 45 Ca 0.11 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 3is7 h TYR 45 Cb 0.39 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3is7 h TYR 45 CO 0.01 0.76 -0.31 0.45 -1.64 0.00 0.00 178.16 177.43 3is7 h HIS 46 N 1.25 1.08 -0.73 -3.82 3.86 -0.54 -0.93 115.15 115.32 3is7 h HIS 46 Ca 0.33 -0.29 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3is7 h HIS 46 Cb -0.10 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.08 3is7 h HIS 46 CO -0.00 1.11 0.46 0.93 0.86 0.00 0.00 177.93 181.29 3is7 h GLU 47 N 0.77 0.88 -0.14 2.45 4.39 -0.70 -0.90 114.58 121.32 3is7 h GLU 47 Ca 0.08 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.76 3is7 h GLU 47 Cb 0.89 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 3is7 h GLU 47 CO 0.08 0.58 -0.06 1.03 -1.16 0.00 0.00 179.01 179.48 3is7 h SER 48 N 0.90 -0.21 -0.73 1.42 0.87 -0.72 -1.95 113.55 113.13 3is7 h SER 48 Ca 0.29 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.96 3is7 h SER 48 Cb 0.02 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 3is7 h SER 48 CO -0.11 -0.08 0.44 0.40 -0.53 0.00 0.00 176.83 176.94 3is7 h ILE 49 N -0.04 1.02 -0.69 2.23 1.08 -1.03 -0.16 117.51 119.91 3is7 h ILE 49 Ca 0.08 -0.28 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 3is7 h ILE 49 Cb 0.16 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.99 3is7 h ILE 49 CO -0.17 0.15 0.40 0.44 -0.69 0.00 0.00 178.15 178.28 3is7 h ASP 50 N 0.81 0.62 -0.45 1.72 3.32 -0.80 -1.46 116.42 120.18 3is7 h ASP 50 Ca 0.32 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 3is7 h ASP 50 Cb 0.15 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3is7 h ASP 50 CO -0.17 0.41 0.05 -0.33 -1.72 0.00 0.00 179.24 177.49 3is7 h GLU 51 N 0.76 0.83 -0.94 3.56 4.39 -0.72 -1.96 114.58 120.50 3is7 h GLU 51 Ca 0.30 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.82 3is7 h GLU 51 Cb 0.13 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3is7 h GLU 51 CO -0.16 0.80 0.62 0.52 -1.16 0.00 0.00 179.01 179.63 3is7 h MET 52 N 0.79 1.19 -0.46 2.33 2.86 -0.55 -0.57 114.93 120.52 3is7 h MET 52 Ca 0.16 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3is7 h MET 52 Cb 0.40 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3is7 h MET 52 CO 0.01 0.79 -0.21 0.87 1.06 0.00 0.00 176.91 179.43 3is7 h LYS 53 N 1.22 0.95 -0.49 1.72 1.57 -0.65 -0.85 116.57 120.04 3is7 h LYS 53 Ca 0.36 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3is7 h LYS 53 Cb -0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3is7 h LYS 53 CO -0.09 1.07 0.28 0.45 -0.57 0.00 0.00 179.45 180.59 3is7 h HIS 54 N 0.79 0.52 -0.75 -1.35 3.86 -0.98 -2.50 115.15 114.75 3is7 h HIS 54 Ca 0.10 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3is7 h HIS 54 Cb 0.78 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 3is7 h HIS 54 CO 0.05 0.28 0.46 0.00 0.86 0.00 0.00 177.93 179.59 3is7 h ALA 55 N 1.23 0.99 -0.95 2.45 0.00 -0.83 -0.78 119.26 121.38 3is7 h ALA 55 Ca 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3is7 h ALA 55 Cb 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3is7 h ALA 55 CO -0.11 0.23 0.62 0.22 0.00 0.00 0.00 179.25 180.22 3is7 h ASP 56 N 0.89 1.06 -0.36 0.00 3.58 -0.85 -0.27 116.42 120.46 3is7 h ASP 56 Ca 0.31 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.59 3is7 h ASP 56 Cb 0.06 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 3is7 h ASP 56 CO -0.13 0.75 -0.34 0.11 -2.88 0.00 0.00 179.24 176.75 3is7 h LYS 57 N 1.24 0.86 -0.03 0.28 1.57 -1.01 -1.69 116.57 117.80 3is7 h LYS 57 Ca 0.36 -0.45 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3is7 h LYS 57 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3is7 h LYS 57 CO -0.10 1.09 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.68 3is7 h LEU 58 N 0.66 -0.37 -0.78 2.94 3.38 -0.84 -2.07 115.31 118.23 3is7 h LEU 58 Ca 0.06 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3is7 h LEU 58 Cb 0.93 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 3is7 h LEU 58 CO 0.09 -0.18 0.44 0.40 0.09 0.00 0.00 178.44 179.28 3is7 h ILE 59 N -0.20 0.94 -0.65 1.22 2.04 -0.91 -0.23 117.51 119.71 3is7 h ILE 59 Ca 0.05 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3is7 h ILE 59 Cb 0.27 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3is7 h ILE 59 CO -0.15 0.14 0.13 -0.33 0.00 0.00 0.00 178.15 177.94 3is7 h GLU 60 N 0.77 1.05 -0.13 2.37 5.08 -1.12 -1.79 114.58 120.81 3is7 h GLU 60 Ca 0.37 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3is7 h GLU 60 Cb 0.29 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3is7 h GLU 60 CO -0.22 0.95 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.53 3is7 h ARG 61 N 0.99 0.31 -0.52 2.33 9.65 -0.85 -0.88 114.38 125.41 3is7 h ARG 61 Ca 0.20 -0.16 0.10 0.00 -1.10 0.00 0.00 59.98 59.03 3is7 h ARG 61 Cb 0.40 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.89 3is7 h ARG 61 CO 0.01 0.69 -0.02 0.82 2.80 0.00 0.00 179.97 184.27 3is7 h ILE 62 N -0.06 0.57 -0.54 1.20 2.04 -0.99 0.31 117.51 120.05 3is7 h ILE 62 Ca 0.02 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 3is7 h ILE 62 Cb 0.63 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3is7 h ILE 62 CO 0.03 0.02 -0.09 -0.07 0.00 0.00 0.00 178.15 178.04 3is7 h LEU 63 N 0.10 0.99 -0.82 1.44 4.07 -1.22 0.12 115.31 119.98 3is7 h LEU 63 Ca 0.26 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3is7 h LEU 63 Cb 0.40 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3is7 h LEU 63 CO -0.45 1.09 0.44 0.15 -1.08 0.00 0.00 178.44 178.58 3is7 h PHE 64 N 0.89 1.14 0.00 1.13 3.57 -0.52 -0.77 116.94 122.39 3is7 h PHE 64 Ca 0.14 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3is7 h PHE 64 Cb 0.64 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3is7 h PHE 64 CO 0.04 0.80 0.00 1.28 -2.23 0.00 0.00 178.31 178.21 3is7 n LEU 65 N -4.38 0.00 -1.56 0.59 4.77 0.04 -4.85 117.00 111.60 3is7 n LEU 65 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3is7 n LEU 65 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3is7 n LEU 65 CO 0.39 0.00 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.70 3is7 n GLU 66 N -0.63 -1.48 -2.89 3.23 1.02 -0.29 -3.44 120.64 116.16 3is7 n GLU 66 Ca 0.05 0.60 -0.20 0.00 -0.02 0.00 0.00 57.16 57.59 3is7 n GLU 66 Cb 0.02 -4.79 0.06 0.00 -0.02 0.00 0.00 31.44 26.72 3is7 n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3is7 s GLY 67 N -2.52 1.79 -0.31 0.62 0.00 0.37 -5.00 107.32 102.27 3is7 s GLY 67 Ca 0.04 -1.88 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 3is7 s GLY 67 CO 0.05 -1.46 0.11 1.08 0.00 0.00 0.00 173.10 172.88 3is7 s LEU 68 N -4.72 4.02 0.18 0.66 1.43 -1.26 -4.28 118.68 114.71 3is7 s LEU 68 Ca 0.61 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 3is7 s LEU 68 Cb -0.07 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 3is7 s LEU 68 CO 0.39 -0.22 1.24 -2.84 0.23 0.00 0.00 176.35 175.15 3is7 s PRO 69 N 1.52 4.45 -0.49 1.29 0.02 -1.26 -4.97 135.00 135.56 3is7 s PRO 69 Ca 0.03 1.92 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 3is7 s PRO 69 Cb -0.17 -3.24 0.06 0.00 0.02 0.00 0.00 34.50 31.17 3is7 s PRO 69 CO 0.04 -0.16 0.54 1.21 -0.33 0.00 0.00 177.00 178.30 3is7 s ASN 70 N 0.30 6.19 0.00 2.53 3.84 -1.26 -4.84 114.94 121.71 3is7 s ASN 70 Ca 0.55 -1.07 0.14 0.00 0.21 0.00 0.00 52.86 52.69 3is7 s ASN 70 Cb -0.34 -2.25 0.30 0.00 -0.55 0.00 0.00 41.25 38.41 3is7 s ASN 70 CO 0.36 -0.80 1.20 0.18 -2.79 0.00 0.00 177.10 175.25 3is7 n LEU 71 N 5.81 2.86 0.05 3.21 4.32 -1.26 -4.60 117.00 127.39 3is7 n LEU 71 Ca -0.09 -1.64 -0.21 0.00 -0.02 0.00 0.00 56.01 54.05 3is7 n LEU 71 Cb 0.45 -0.20 -0.15 0.00 -1.62 0.00 0.00 43.42 41.91 3is7 n LEU 71 CO 0.51 0.66 -0.57 -0.61 -1.22 0.00 0.00 177.39 176.17 3is7 h GLN 72 N 2.75 0.34 -5.62 3.23 5.75 -2.02 -3.44 115.11 116.09 3is7 h GLN 72 Ca 0.00 -0.57 -0.62 0.00 -0.15 0.00 0.00 58.65 57.31 3is7 h GLN 72 Cb 0.74 0.21 -0.12 0.00 1.07 0.00 0.00 27.48 29.38 3is7 h GLN 72 CO 0.00 1.24 0.25 -0.51 -2.65 0.00 0.00 178.83 177.16 3is7 s ASP 73 N -7.16 6.50 -0.32 -0.69 1.01 -1.26 -5.00 116.67 109.74 3is7 s ASP 73 Ca -0.16 0.28 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 3is7 s ASP 73 Cb 0.06 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.65 3is7 s ASP 73 CO 0.84 -0.64 0.11 -0.22 0.21 0.00 0.00 175.17 175.46 3is7 s LEU 74 N 2.87 4.10 0.00 1.23 2.96 -1.26 -4.91 118.68 123.67 3is7 s LEU 74 Ca 0.28 -0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 3is7 s LEU 74 Cb -0.14 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.69 3is7 s LEU 74 CO 0.15 -0.25 0.11 0.61 -1.32 0.00 0.00 176.35 175.65 3is7 n GLY 75 N 4.87 -3.19 3.66 7.98 0.00 -1.26 -4.94 105.19 112.32 3is7 n GLY 75 Ca -0.14 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3is7 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3is7 s LYS 76 N -3.26 4.28 0.13 1.61 2.20 -1.26 -4.94 119.74 118.51 3is7 s LYS 76 Ca 0.08 1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 56.63 3is7 s LYS 76 Cb -0.01 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 3is7 s LYS 76 CO 0.06 -0.51 1.30 -0.51 -0.36 0.00 0.00 175.35 175.33 3is7 s LEU 77 N 2.77 4.39 -0.58 5.43 1.02 -1.26 -5.01 118.68 125.45 3is7 s LEU 77 Ca 0.43 2.25 -0.15 0.00 0.02 0.00 0.00 54.13 56.68 3is7 s LEU 77 Cb -0.16 -3.59 0.14 0.00 0.02 0.00 0.00 46.19 42.60 3is7 s LEU 77 CO 0.09 -0.54 0.53 -0.76 0.02 0.00 0.00 176.35 175.70 3is7 s LEU 78 N 0.62 6.23 -0.30 1.79 1.43 -1.26 -5.05 118.68 122.15 3is7 s LEU 78 Ca 0.60 -1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 51.65 3is7 s LEU 78 Cb -0.34 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 3is7 s LEU 78 CO 0.33 -0.80 0.18 -0.63 0.23 0.00 0.00 176.35 175.66 3is7 s ILE 79 N 1.35 5.04 0.69 -0.59 -1.09 -1.26 -4.71 121.20 120.63 3is7 s ILE 79 Ca 0.06 -0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 58.31 3is7 s ILE 79 Cb -0.27 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3is7 s ILE 79 CO 0.01 0.16 1.04 -0.83 -1.23 0.00 0.00 174.94 174.09 3is7 s GLY 80 N 1.71 1.63 -0.01 6.18 0.00 -1.26 -4.98 107.32 110.58 3is7 s GLY 80 Ca 0.06 -0.61 0.12 0.00 0.00 0.00 0.00 44.72 44.29 3is7 s GLY 80 CO 0.09 -0.24 0.38 1.18 0.00 0.00 0.00 173.10 174.51 3is7 n GLU 81 N -2.93 1.73 -4.22 2.90 1.02 -1.26 -4.76 120.64 113.12 3is7 n GLU 81 Ca 0.07 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.99 3is7 n GLU 81 Cb 0.59 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.75 3is7 n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3is7 s ASN 82 N -2.76 1.02 0.08 1.62 2.20 -1.26 -5.04 114.94 110.80 3is7 s ASN 82 Ca -0.00 -1.57 -0.26 0.00 -0.94 0.00 0.00 52.86 50.09 3is7 s ASN 82 Cb 0.08 0.52 -0.16 0.00 -2.00 0.00 0.00 41.25 39.69 3is7 s ASN 82 CO 0.49 -1.03 1.70 0.74 -2.94 0.00 0.00 177.10 176.06 3is7 h THR 83 N 2.29 0.82 -0.93 0.54 2.02 -1.99 -0.09 112.91 115.56 3is7 h THR 83 Ca -0.29 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 66.94 3is7 h THR 83 Cb 1.24 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 3is7 h THR 83 CO 0.42 0.00 0.59 -0.61 0.37 0.00 0.00 175.52 176.29 3is7 h GLN 84 N -0.26 1.04 -0.46 6.66 4.15 -2.00 -1.44 115.11 122.79 3is7 h GLN 84 Ca -0.03 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 3is7 h GLN 84 Cb 0.20 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3is7 h GLN 84 CO 0.04 0.69 -0.03 0.93 -1.93 0.00 0.00 178.83 178.52 3is7 h GLU 85 N 1.07 0.84 -0.62 1.69 5.08 -1.81 -2.22 114.58 118.61 3is7 h GLU 85 Ca 0.41 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3is7 h GLU 85 Cb 0.19 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3is7 h GLU 85 CO -0.18 0.91 0.34 0.52 -1.00 0.00 0.00 179.01 179.60 3is7 h MET 86 N 0.69 0.63 -0.44 2.33 2.86 -0.54 0.38 114.93 120.83 3is7 h MET 86 Ca 0.13 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3is7 h MET 86 Cb 0.55 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3is7 h MET 86 CO 0.03 0.41 -0.23 -0.07 1.06 0.00 0.00 176.91 178.11 3is7 h LEU 87 N 0.64 0.92 -0.82 1.22 3.38 -1.23 -0.30 115.31 119.12 3is7 h LEU 87 Ca 0.27 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3is7 h LEU 87 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3is7 h LEU 87 CO -0.17 1.11 -0.38 -0.61 0.09 0.00 0.00 178.44 178.48 3is7 h GLN 88 N 0.78 0.42 -0.25 1.13 5.75 -1.00 -1.95 115.11 119.98 3is7 h GLN 88 Ca 0.10 -0.20 -0.10 0.00 -0.15 0.00 0.00 58.65 58.30 3is7 h GLN 88 Cb 0.79 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 3is7 h GLN 88 CO 0.07 0.74 -0.27 0.00 -2.65 0.00 0.00 178.83 176.71 3is7 h ASP 90 N 0.44 0.77 -0.28 0.00 3.32 -0.73 -2.18 116.42 117.76 3is7 h ASP 90 Ca 0.06 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3is7 h ASP 90 Cb 0.71 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3is7 h ASP 90 CO 0.05 0.97 0.10 0.25 -1.72 0.00 0.00 179.24 178.90 3is7 h LEU 91 N 0.56 0.40 -0.63 1.55 5.85 -1.21 -1.06 115.31 120.77 3is7 h LEU 91 Ca 0.09 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3is7 h LEU 91 Cb 0.65 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3is7 h LEU 91 CO 0.04 0.47 0.36 0.78 -0.34 0.00 0.00 178.44 179.75 3is7 h ASN 92 N 0.30 0.54 -0.53 1.25 2.35 -1.26 -0.28 115.58 117.94 3is7 h ASN 92 Ca 0.09 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3is7 h ASN 92 Cb 0.20 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3is7 h ASN 92 CO -0.01 0.36 0.35 0.25 -1.65 0.00 0.00 177.43 176.73 3is7 h LEU 93 N 0.67 0.59 -0.70 1.61 5.85 -1.08 -2.61 115.31 119.65 3is7 h LEU 93 Ca 0.27 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 3is7 h LEU 93 Cb 0.13 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3is7 h LEU 93 CO -0.15 0.43 -0.58 -0.33 -0.34 0.00 0.00 178.44 177.46 3is7 h GLU 94 N 0.70 0.22 -0.61 1.25 4.39 -0.49 -1.10 114.58 118.95 3is7 h GLU 94 Ca 0.20 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3is7 h GLU 94 Cb -0.06 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3is7 h GLU 94 CO -0.05 0.74 0.12 -0.07 -1.16 0.00 0.00 179.01 178.59 3is7 h LEU 95 N 0.16 0.91 -0.40 1.33 3.38 -0.99 -0.34 115.31 119.37 3is7 h LEU 95 Ca -0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3is7 h LEU 95 Cb 1.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3is7 h LEU 95 CO 0.09 0.90 -0.10 0.50 0.09 0.00 0.00 178.44 179.92 3is7 h LYS 96 N 0.92 0.77 -0.94 1.13 1.63 -1.19 -2.75 116.57 116.15 3is7 h LYS 96 Ca 0.19 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3is7 h LYS 96 Cb 0.36 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 3is7 h LYS 96 CO 0.00 0.91 0.60 0.00 -3.45 0.00 0.00 179.45 177.51 3is7 h ALA 97 N 0.84 1.20 -0.16 5.00 0.00 -0.93 -1.28 119.26 123.92 3is7 h ALA 97 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3is7 h ALA 97 Cb 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3is7 h ALA 97 CO 0.04 0.62 -0.49 0.00 0.00 0.00 0.00 179.25 179.42 3is7 h THR 98 N 1.29 1.33 -0.02 0.00 1.03 -1.06 -0.06 112.91 115.40 3is7 h THR 98 Ca 0.34 -1.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 3is7 h THR 98 Cb -0.11 1.74 -0.00 0.00 -1.07 0.00 0.00 68.15 68.71 3is7 h THR 98 CO -0.07 0.53 0.02 0.50 -0.01 0.00 0.00 175.52 176.48 3is7 h LYS 99 N 0.35 0.03 -0.60 0.00 3.64 -1.12 -1.73 116.57 117.14 3is7 h LYS 99 Ca 0.02 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3is7 h LYS 99 Cb 0.99 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 3is7 h LYS 99 CO 0.09 0.03 0.31 -0.44 -2.27 0.00 0.00 179.45 177.16 3is7 h ASP 100 N 0.03 0.75 -0.48 4.20 3.32 -1.01 -2.23 116.42 120.99 3is7 h ASP 100 Ca 0.01 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3is7 h ASP 100 Cb 0.00 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3is7 h ASP 100 CO -0.00 0.62 0.02 -0.07 -1.72 0.00 0.00 179.24 178.09 3is7 h LEU 101 N 0.84 0.81 -0.57 1.55 -0.00 -0.81 -0.44 115.31 116.68 3is7 h LEU 101 Ca 0.21 -0.30 -0.06 0.00 -0.00 0.00 0.00 57.88 57.73 3is7 h LEU 101 Cb 0.05 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.47 3is7 h LEU 101 CO -0.03 0.91 0.11 0.03 -0.00 0.00 0.00 178.44 179.45 3is7 h ARG 102 N 0.69 0.93 -0.59 1.13 3.08 -0.82 -0.44 114.38 118.36 3is7 h ARG 102 Ca 0.14 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3is7 h ARG 102 Cb 0.48 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3is7 h ARG 102 CO 0.02 0.88 0.24 0.93 -1.07 0.00 0.00 179.97 180.97 3is7 h GLU 103 N 0.83 0.88 -0.93 0.04 5.08 -1.19 -0.30 114.58 118.99 3is7 h GLU 103 Ca 0.17 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3is7 h GLU 103 Cb 0.39 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 3is7 h GLU 103 CO 0.01 0.75 0.61 0.00 -1.00 0.00 0.00 179.01 179.38 3is7 h ALA 104 N 1.08 1.45 -0.21 3.43 0.00 -0.82 -2.23 119.26 121.97 3is7 h ALA 104 Ca 0.20 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3is7 h ALA 104 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3is7 h ALA 104 CO -0.02 0.43 -0.47 0.82 0.00 0.00 0.00 179.25 180.02 3is7 h ILE 105 N 1.11 1.31 -0.47 0.00 2.04 -0.41 -1.85 117.51 119.25 3is7 h ILE 105 Ca 0.39 -1.69 0.10 0.00 1.00 0.00 0.00 64.86 64.65 3is7 h ILE 105 Cb 0.11 1.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.94 3is7 h ILE 105 CO -0.13 0.53 -0.19 0.58 0.00 0.00 0.00 178.15 178.93 3is7 h VAL 106 N 0.39 0.40 -0.63 1.67 2.07 -0.84 -1.76 116.25 117.55 3is7 h VAL 106 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3is7 h VAL 106 Cb 1.08 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3is7 h VAL 106 CO 0.10 0.00 0.04 -0.74 0.02 0.00 0.00 177.57 176.99 3is7 h HIS 107 N -0.09 1.16 -0.83 1.57 -0.00 -1.14 -2.38 115.15 113.44 3is7 h HIS 107 Ca 0.22 -0.18 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 3is7 h HIS 107 Cb 0.44 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 3is7 h HIS 107 CO -0.47 1.00 0.55 0.00 -0.00 0.00 0.00 177.93 179.01 3is7 h GLU 109 N 1.10 -0.20 -0.73 0.00 4.57 -1.11 0.24 114.58 118.46 3is7 h GLU 109 Ca 0.31 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.63 3is7 h GLU 109 Cb -0.08 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.47 3is7 h GLU 109 CO -0.08 -0.14 0.31 0.37 -1.18 0.00 0.00 179.01 178.30 3is7 h GLN 110 N -0.21 0.48 -0.45 1.92 4.15 -0.95 -0.01 115.11 120.03 3is7 h GLN 110 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3is7 h GLN 110 Cb 0.24 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3is7 h GLN 110 CO -0.08 0.32 0.00 1.33 -1.93 0.00 0.00 178.83 178.46 3is7 n VAL 111 N -4.96 0.60 -2.44 2.39 0.24 -0.75 -4.95 118.33 108.46 3is7 n VAL 111 Ca 0.13 -0.63 -0.14 0.00 -2.04 0.00 0.00 64.34 61.65 3is7 n VAL 111 Cb 0.36 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3is7 n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3is7 n HIS 112 N 0.93 -0.90 -3.08 6.34 8.25 -0.02 -4.91 115.22 121.82 3is7 n HIS 112 Ca 0.17 0.12 -0.44 0.00 -0.26 0.00 0.00 57.72 57.31 3is7 n HIS 112 Cb 0.43 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.39 3is7 n HIS 112 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3is7 n ASP 113 N -0.86 5.75 0.24 0.41 -0.08 0.68 -4.83 116.55 117.86 3is7 n ASP 113 Ca -0.14 -3.16 0.11 0.00 -1.51 0.00 0.00 54.79 50.09 3is7 n ASP 113 Cb 0.61 -1.38 0.60 0.00 2.34 0.00 0.00 41.12 43.29 3is7 n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3is7 h TYR 114 N 6.22 0.00 -0.06 -0.67 0.05 -1.91 -1.33 116.97 119.26 3is7 h TYR 114 Ca 0.23 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.77 3is7 h TYR 114 Cb 0.76 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.52 3is7 h TYR 114 CO 0.93 0.19 -0.86 0.28 -1.05 0.00 0.00 178.16 177.64 3is7 h VAL 115 N 0.00 1.30 -0.19 -2.88 2.07 -1.96 -1.85 116.25 112.73 3is7 h VAL 115 Ca -0.00 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 3is7 h VAL 115 Cb 0.51 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3is7 h VAL 115 CO 0.02 0.65 0.06 0.28 0.02 0.00 0.00 177.57 178.60 3is7 h SER 116 N 0.37 0.28 -0.81 0.57 0.02 -1.93 -2.07 113.55 109.98 3is7 h SER 116 Ca -0.09 -0.20 0.19 0.00 -0.84 0.00 0.00 61.79 60.85 3is7 h SER 116 Cb 1.52 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.86 3is7 h SER 116 CO 0.17 0.40 0.23 -0.09 -1.14 0.00 0.00 176.83 176.41 3is7 h ARG 117 N 0.13 0.28 -0.35 3.45 2.43 -1.25 -0.78 114.38 118.28 3is7 h ARG 117 Ca 0.06 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3is7 h ARG 117 Cb 0.23 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3is7 h ARG 117 CO -0.00 0.18 -0.23 0.22 -1.51 0.00 0.00 179.97 178.63 3is7 h ASP 118 N 0.28 0.81 -0.90 -3.80 3.58 -0.76 0.20 116.42 115.83 3is7 h ASP 118 Ca 0.48 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3is7 h ASP 118 Cb 0.87 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 3is7 h ASP 118 CO -0.55 1.06 0.49 0.25 -2.88 0.00 0.00 179.24 177.61 3is7 h LEU 119 N 0.56 1.12 -0.69 2.28 6.46 -1.09 -2.16 115.31 121.80 3is7 h LEU 119 Ca 0.07 -0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.61 3is7 h LEU 119 Cb 0.79 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3is7 h LEU 119 CO 0.06 0.90 -0.22 -0.07 -0.62 0.00 0.00 178.44 178.49 3is7 h LEU 120 N 1.26 0.79 -0.84 2.25 3.38 -0.35 -2.27 115.31 119.53 3is7 h LEU 120 Ca 0.32 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3is7 h LEU 120 Cb 0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3is7 h LEU 120 CO -0.05 0.99 0.41 0.50 0.09 0.00 0.00 178.44 180.38 3is7 h LYS 121 N 0.68 1.20 -0.70 1.13 3.64 -0.36 -1.30 116.57 120.86 3is7 h LYS 121 Ca 0.09 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3is7 h LYS 121 Cb 0.74 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3is7 h LYS 121 CO 0.06 0.91 0.24 -0.44 -2.27 0.00 0.00 179.45 177.95 3is7 h ASP 122 N 1.18 1.00 -0.90 4.20 3.45 -1.11 -0.84 116.42 123.40 3is7 h ASP 122 Ca 0.29 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3is7 h ASP 122 Cb 0.10 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.57 3is7 h ASP 122 CO -0.04 0.93 0.57 0.40 -1.57 0.00 0.00 179.24 179.53 3is7 h ILE 123 N 1.02 1.24 -0.42 0.35 2.04 -1.09 -2.13 117.51 118.52 3is7 h ILE 123 Ca 0.23 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 3is7 h ILE 123 Cb 0.27 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3is7 h ILE 123 CO -0.01 0.24 -0.15 0.25 0.00 0.00 0.00 178.15 178.49 3is7 h LEU 124 N 1.24 0.78 -0.38 1.44 5.85 -0.73 0.12 115.31 123.62 3is7 h LEU 124 Ca 0.33 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3is7 h LEU 124 Cb -0.09 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3is7 h LEU 124 CO -0.07 0.93 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.83 3is7 h GLU 125 N 0.70 0.72 -0.88 1.25 4.81 -0.86 -0.46 114.58 119.86 3is7 h GLU 125 Ca 0.11 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3is7 h GLU 125 Cb 0.64 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3is7 h GLU 125 CO 0.04 0.85 0.57 1.03 -0.73 0.00 0.00 179.01 180.77 3is7 h SER 126 N 0.53 0.96 0.12 1.04 0.87 -0.81 -1.75 113.55 114.51 3is7 h SER 126 Ca 0.10 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 3is7 h SER 126 Cb 0.56 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3is7 h SER 126 CO 0.03 0.67 -0.44 -0.33 -0.53 0.00 0.00 176.83 176.24 3is7 h GLU 127 N 1.13 0.40 -0.41 2.24 4.39 -0.49 -2.01 114.58 119.83 3is7 h GLU 127 Ca 0.34 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 3is7 h GLU 127 Cb -0.04 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3is7 h GLU 127 CO -0.10 0.76 -0.12 0.93 -1.16 0.00 0.00 179.01 179.32 3is7 h GLU 128 N 0.32 0.74 -0.79 2.33 5.08 -0.84 -1.54 114.58 119.89 3is7 h GLU 128 Ca 0.02 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3is7 h GLU 128 Cb 0.91 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3is7 h GLU 128 CO 0.08 0.83 0.43 0.93 -1.00 0.00 0.00 179.01 180.28 3is7 h GLU 129 N 0.67 1.10 -0.72 2.33 5.08 -1.03 -1.63 114.58 120.39 3is7 h GLU 129 Ca 0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3is7 h GLU 129 Cb 0.59 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3is7 h GLU 129 CO 0.04 0.82 0.46 1.25 -1.00 0.00 0.00 179.01 180.58 3is7 h HIS 130 N 1.10 0.91 -0.55 4.33 2.76 -0.92 -1.35 115.15 121.43 3is7 h HIS 130 Ca 0.28 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3is7 h HIS 130 Cb 0.03 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 3is7 h HIS 130 CO 0.00 0.58 0.04 0.82 -1.30 0.00 0.00 177.93 178.07 3is7 h ILE 131 N 0.97 1.26 -0.53 6.26 2.04 -1.16 -0.60 117.51 125.76 3is7 h ILE 131 Ca 0.26 -1.05 0.09 0.00 1.00 0.00 0.00 64.86 65.15 3is7 h ILE 131 Cb -0.09 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 3is7 h ILE 131 CO -0.05 0.38 0.15 -0.78 0.00 0.00 0.00 178.15 177.85 3is7 h ASP 132 N 0.82 0.10 -0.59 1.72 3.58 -1.06 0.96 116.42 121.96 3is7 h ASP 132 Ca 0.16 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 3is7 h ASP 132 Cb 0.49 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 3is7 h ASP 132 CO 0.02 0.08 0.24 0.22 -2.88 0.00 0.00 179.24 176.92 3is7 h TYR 133 N 0.31 0.88 -0.15 0.28 3.20 -0.60 -1.62 116.97 119.27 3is7 h TYR 133 Ca 0.27 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 3is7 h TYR 133 Cb 0.34 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3is7 h TYR 133 CO -0.20 0.70 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.53 3is7 h LEU 134 N 0.81 0.63 -1.04 2.82 4.07 -0.50 -0.62 115.31 121.49 3is7 h LEU 134 Ca 0.20 -0.59 0.02 0.00 0.08 0.00 0.00 57.88 57.59 3is7 h LEU 134 Cb 0.19 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 3is7 h LEU 134 CO -0.02 1.11 0.65 -0.33 -1.08 0.00 0.00 178.44 178.77 3is7 h GLU 135 N 0.19 1.26 -0.41 1.13 5.08 -0.82 -1.67 114.58 119.34 3is7 h GLU 135 Ca -0.01 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3is7 h GLU 135 Cb 1.04 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3is7 h GLU 135 CO 0.09 0.84 0.08 1.15 -1.00 0.00 0.00 179.01 180.17 3is7 h THR 136 N 1.30 1.24 -0.61 1.13 2.02 -0.91 -0.47 112.91 116.61 3is7 h THR 136 Ca 0.37 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 3is7 h THR 136 Cb -0.10 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3is7 h THR 136 CO -0.09 0.29 0.02 1.56 0.37 0.00 0.00 175.52 177.67 3is7 h GLN 137 N 0.54 1.06 -0.62 6.66 1.08 -0.62 -1.09 115.11 122.11 3is7 h GLN 137 Ca 0.13 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 3is7 h GLN 137 Cb 0.35 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 3is7 h GLN 137 CO 0.01 1.02 0.33 -0.07 -0.95 0.00 0.00 178.83 179.17 3is7 h LEU 138 N 0.96 0.79 -1.20 1.46 -0.00 -1.21 -1.47 115.31 114.64 3is7 h LEU 138 Ca 0.17 -0.11 0.11 0.00 -0.00 0.00 0.00 57.88 58.06 3is7 h LEU 138 Cb 0.53 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 40.92 3is7 h LEU 138 CO 0.03 0.67 0.58 1.23 -0.00 0.00 0.00 178.44 180.95 3is7 h GLY 139 N 0.85 1.30 1.81 0.83 0.00 -0.84 -2.77 103.07 104.25 3is7 h GLY 139 Ca 0.22 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.97 3is7 h GLY 139 CO -0.03 0.17 -0.99 1.41 0.00 0.00 0.00 176.54 177.10 3is7 h LEU 140 N 0.85 0.23 -0.89 3.11 3.38 -0.38 -1.64 115.31 119.96 3is7 h LEU 140 Ca 0.43 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3is7 h LEU 140 Cb 0.49 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3is7 h LEU 140 CO -0.19 1.08 0.56 0.40 0.09 0.00 0.00 178.44 180.38 3is7 h ILE 141 N 0.07 1.06 -0.70 1.22 2.04 -1.13 0.61 117.51 120.68 3is7 h ILE 141 Ca -0.06 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3is7 h ILE 141 Cb 1.68 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3is7 h ILE 141 CO 0.15 0.19 0.15 1.56 0.00 0.00 0.00 178.15 180.20 3is7 h GLN 142 N 1.03 1.12 0.00 2.37 1.08 -1.25 -1.96 115.11 117.50 3is7 h GLN 142 Ca 0.39 -0.28 -0.23 0.00 -1.45 0.00 0.00 58.65 57.08 3is7 h GLN 142 Cb 0.16 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3is7 h GLN 142 CO -0.17 1.00 -1.15 0.87 -0.95 0.00 0.00 178.83 178.43 3is7 h LYS 143 N 1.06 0.00 -0.00 1.46 1.57 -0.28 -3.37 116.57 117.01 3is7 h LYS 143 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3is7 h LYS 143 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3is7 h LYS 143 CO 0.01 0.87 -0.17 1.33 -0.57 0.00 0.00 179.45 180.92 3is7 n VAL 144 N -3.28 0.00 0.00 0.50 0.24 0.10 -5.09 118.33 110.80 3is7 n VAL 144 Ca -0.04 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3is7 n VAL 144 Cb 0.96 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.39 3is7 n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3is7 n GLY 145 N 0.82 -1.42 0.24 7.63 0.00 -0.74 -4.35 105.19 107.38 3is7 n GLY 145 Ca 0.02 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 3is7 n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3is7 h LEU 146 N 0.00 0.72 -0.61 0.99 5.85 -1.91 -0.90 115.31 119.45 3is7 h LEU 146 Ca 0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3is7 h LEU 146 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3is7 h LEU 146 CO 0.00 0.65 0.27 -0.33 -0.34 0.00 0.00 178.44 178.69 3is7 h GLU 147 N 0.74 0.89 -0.50 1.25 5.08 -1.93 -0.53 114.58 119.57 3is7 h GLU 147 Ca 0.19 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3is7 h GLU 147 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3is7 h GLU 147 CO -0.02 0.74 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.81 3is7 h ASN 148 N 0.84 0.86 -0.22 1.42 2.35 -1.72 -1.45 115.58 117.66 3is7 h ASN 148 Ca 0.21 -0.31 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3is7 h ASN 148 Cb 0.16 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 3is7 h ASN 148 CO -0.02 0.96 -0.14 0.22 -1.65 0.00 0.00 177.43 176.80 3is7 h TYR 149 N 0.74 -0.33 -0.73 1.19 3.20 -0.82 0.10 116.97 120.32 3is7 h TYR 149 Ca 0.14 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3is7 h TYR 149 Cb 0.52 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 3is7 h TYR 149 CO 0.04 -0.20 0.30 -0.07 -1.64 0.00 0.00 178.16 176.58 3is7 h LEU 150 N -0.12 0.99 -0.52 2.82 3.38 -1.05 -2.96 115.31 117.85 3is7 h LEU 150 Ca 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3is7 h LEU 150 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3is7 h LEU 150 CO -0.30 0.88 0.32 -0.61 0.09 0.00 0.00 178.44 178.82 3is7 h GLN 151 N 1.06 0.71 0.00 1.13 4.15 -0.66 -0.96 115.11 120.53 3is7 h GLN 151 Ca 0.25 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3is7 h GLN 151 Cb 0.19 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3is7 h GLN 151 CO -0.02 0.51 0.00 0.43 -1.93 0.00 0.00 178.83 177.82 3is7 n SER 152 N -4.68 0.00 -0.67 -0.69 7.64 0.30 -2.26 113.62 113.26 3is7 n SER 152 Ca 0.03 0.44 0.06 0.00 1.01 0.00 0.00 58.87 60.41 3is7 n SER 152 Cb 0.05 -0.47 0.18 0.00 -1.01 0.00 0.00 64.21 62.96 3is7 n SER 152 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3is7 n HIS 153 N -1.47 0.58 -0.04 1.43 8.25 -0.38 -4.65 115.22 118.94 3is7 n HIS 153 Ca 0.03 -0.62 -0.15 0.00 -0.26 0.00 0.00 57.72 56.72 3is7 n HIS 153 Cb 0.11 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.02 3is7 n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3is7 h MET 154 N 1.81 0.41 -5.92 -0.41 2.86 -1.23 -1.59 114.93 110.85 3is7 h MET 154 Ca 0.00 -0.29 -0.68 0.00 -2.06 0.00 0.00 59.70 56.67 3is7 h MET 154 Cb 0.94 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.51 3is7 h MET 154 CO 0.07 0.91 -0.61 -1.01 1.06 0.00 0.00 176.91 177.33 3is7 s HIS 155 N -3.86 3.20 -2.00 -0.22 3.76 -1.26 -2.32 115.29 112.59 3is7 s HIS 155 Ca -0.14 0.21 0.11 0.00 -0.15 0.00 0.00 55.06 55.10 3is7 s HIS 155 Cb 0.05 -1.81 0.68 0.00 1.11 0.00 0.00 32.58 32.61 3is7 s HIS 155 CO 0.78 0.48 1.11 0.39 -0.85 0.00 0.00 174.74 176.66