#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 7.28 0.15 1.61 2.15 -1.26 -4.92 116.67 121.68 3is7 s ASP 4 Ca 0.00 1.85 -0.18 0.00 0.43 0.00 0.00 52.55 54.66 3is7 s ASP 4 Cb 0.00 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 3is7 s ASP 4 CO 0.00 -0.30 1.69 0.50 -0.17 0.00 0.00 175.17 176.90 3is7 h LYS 5 N 6.40 0.04 -0.04 4.34 3.11 -2.00 -1.84 116.57 126.59 3is7 h LYS 5 Ca -0.42 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.33 3is7 h LYS 5 Cb 1.22 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 3is7 h LYS 5 CO 0.76 0.03 -0.38 0.87 -2.81 0.00 0.00 179.45 177.92 3is7 h LYS 6 N 0.04 0.08 -0.45 1.90 6.56 -1.99 -2.10 116.57 120.60 3is7 h LYS 6 Ca 0.16 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3is7 h LYS 6 Cb 0.23 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 3is7 h LYS 6 CO -0.30 0.45 0.28 0.28 -2.06 0.00 0.00 179.45 178.10 3is7 h VAL 7 N 0.07 1.14 -0.45 0.50 2.07 -1.76 -1.00 116.25 116.81 3is7 h VAL 7 Ca 0.01 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3is7 h VAL 7 Cb 0.70 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3is7 h VAL 7 CO 0.05 0.14 -0.13 0.40 0.02 0.00 0.00 177.57 178.05 3is7 h ILE 8 N 0.60 1.26 -0.61 4.57 2.04 -0.95 -0.01 117.51 124.41 3is7 h ILE 8 Ca 0.16 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 3is7 h ILE 8 Cb -0.02 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3is7 h ILE 8 CO -0.03 0.42 0.26 1.56 0.00 0.00 0.00 178.15 180.36 3is7 h GLN 9 N 0.75 0.91 -0.28 2.37 4.20 -1.24 0.11 115.11 121.93 3is7 h GLN 9 Ca 0.12 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3is7 h GLN 9 Cb 0.64 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3is7 h GLN 9 CO 0.04 0.76 0.16 0.45 -0.67 0.00 0.00 178.83 179.58 3is7 h HIS 10 N 0.85 0.38 -0.96 2.96 3.86 -0.48 0.05 115.15 121.82 3is7 h HIS 10 Ca 0.21 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3is7 h HIS 10 Cb 0.18 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 3is7 h HIS 10 CO 0.01 0.30 0.61 -0.07 0.86 0.00 0.00 177.93 179.64 3is7 h LEU 11 N 0.35 1.12 -0.95 2.43 3.38 -0.73 -0.39 115.31 120.52 3is7 h LEU 11 Ca 0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3is7 h LEU 11 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3is7 h LEU 11 CO -0.02 0.83 -0.50 0.78 0.09 0.00 0.00 178.44 179.62 3is7 h ASN 12 N 1.30 0.00 -0.15 -0.43 2.35 -0.58 -0.06 115.58 118.01 3is7 h ASN 12 Ca 0.35 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3is7 h ASN 12 Cb -0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3is7 h ASN 12 CO -0.07 0.50 -0.15 0.50 -1.65 0.00 0.00 177.43 176.56 3is7 h LYS 13 N 0.00 0.36 -0.58 0.81 3.64 0.50 -1.45 116.57 119.85 3is7 h LYS 13 Ca -0.00 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3is7 h LYS 13 Cb 0.93 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 3is7 h LYS 13 CO 0.06 0.74 0.35 0.82 -2.27 0.00 0.00 179.45 179.16 3is7 h ILE 14 N -0.01 1.06 -0.50 2.00 1.08 -0.98 -1.80 117.51 118.36 3is7 h ILE 14 Ca 0.02 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 3is7 h ILE 14 Cb 0.67 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 3is7 h ILE 14 CO 0.04 0.13 0.08 0.25 -0.69 0.00 0.00 178.15 177.95 3is7 h LEU 15 N 0.69 -0.05 -1.20 1.44 5.85 -0.93 -1.17 115.31 119.95 3is7 h LEU 15 Ca 0.24 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3is7 h LEU 15 Cb 0.03 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3is7 h LEU 15 CO -0.10 0.00 0.11 1.23 -0.34 0.00 0.00 178.44 179.34 3is7 h GLY 16 N 0.21 0.72 1.04 3.75 0.00 -0.73 -0.06 103.07 108.00 3is7 h GLY 16 Ca 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3is7 h GLY 16 CO -0.35 0.37 0.40 3.43 0.00 0.00 0.00 176.54 180.39 3is7 h ASN 17 N 0.66 1.12 -0.56 0.19 2.35 -0.59 -2.13 115.58 116.60 3is7 h ASN 17 Ca 0.15 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3is7 h ASN 17 Cb 0.24 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3is7 h ASN 17 CO -0.00 0.95 0.23 -0.33 -1.65 0.00 0.00 177.43 176.63 3is7 h GLU 18 N 1.21 0.84 -0.83 0.81 4.39 -0.04 -1.77 114.58 119.19 3is7 h GLU 18 Ca 0.29 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3is7 h GLU 18 Cb 0.13 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3is7 h GLU 18 CO -0.03 0.72 0.46 -0.07 -1.16 0.00 0.00 179.01 178.92 3is7 h LEU 19 N 0.77 1.02 -0.17 1.33 3.38 -0.93 0.79 115.31 121.51 3is7 h LEU 19 Ca 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3is7 h LEU 19 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3is7 h LEU 19 CO -0.02 0.82 0.10 0.40 0.09 0.00 0.00 178.44 179.83 3is7 h ILE 20 N 1.15 1.08 -0.86 1.22 2.04 -1.06 -3.18 117.51 117.90 3is7 h ILE 20 Ca 0.29 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3is7 h ILE 20 Cb 0.02 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3is7 h ILE 20 CO -0.05 0.07 0.45 0.00 0.00 0.00 0.00 178.15 178.62 3is7 h ALA 21 N 1.02 1.18 -0.26 1.87 0.00 -0.53 -0.16 119.26 122.37 3is7 h ALA 21 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3is7 h ALA 21 Cb 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 3is7 h ALA 21 CO -0.01 0.65 -0.05 0.82 0.00 0.00 0.00 179.25 180.65 3is7 h ILE 22 N 1.21 0.75 -0.13 0.00 2.04 -0.87 -0.84 117.51 119.67 3is7 h ILE 22 Ca 0.30 -0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.95 3is7 h ILE 22 Cb 0.06 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3is7 h ILE 22 CO -0.04 0.00 -0.73 0.78 0.00 0.00 0.00 178.15 178.15 3is7 h ASN 23 N 0.01 0.87 -0.10 1.72 4.21 -1.46 -0.63 115.58 120.20 3is7 h ASN 23 Ca 0.12 -0.64 -0.01 0.00 1.21 0.00 0.00 56.30 56.98 3is7 h ASN 23 Cb 0.19 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.12 3is7 h ASN 23 CO -0.26 1.37 0.02 -0.61 -1.29 0.00 0.00 177.43 176.67 3is7 h GLN 24 N 0.43 0.17 -0.24 0.81 4.15 -0.92 -1.53 115.11 117.99 3is7 h GLN 24 Ca -0.05 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 3is7 h GLN 24 Cb 1.37 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 3is7 h GLN 24 CO 0.15 0.36 -0.32 1.88 -1.93 0.00 0.00 178.83 178.97 3is7 h TYR 25 N -0.05 0.57 -0.36 3.99 0.05 -1.18 -0.62 116.97 119.35 3is7 h TYR 25 Ca 0.03 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 3is7 h TYR 25 Cb 0.27 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 3is7 h TYR 25 CO 0.01 0.76 0.22 0.35 -1.05 0.00 0.00 178.16 178.45 3is7 h PHE 26 N 0.42 0.48 -0.22 4.88 3.04 -0.98 0.40 116.94 124.97 3is7 h PHE 26 Ca 0.05 -0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.81 3is7 h PHE 26 Cb 0.77 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.13 3is7 h PHE 26 CO 0.03 0.35 -0.63 1.25 -2.02 0.00 0.00 178.31 177.29 3is7 h LEU 27 N 0.48 0.86 -0.70 0.59 5.85 -1.09 -1.84 115.31 119.46 3is7 h LEU 27 Ca 0.13 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3is7 h LEU 27 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3is7 h LEU 27 CO -0.02 1.28 0.44 0.45 -0.34 0.00 0.00 178.44 180.24 3is7 h HIS 28 N 0.56 0.83 -0.33 1.25 3.86 -0.89 -0.93 115.15 119.50 3is7 h HIS 28 Ca -0.01 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 3is7 h HIS 28 Cb 1.22 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 29.37 3is7 h HIS 28 CO 0.07 0.48 0.04 1.03 0.86 0.00 0.00 177.93 180.41 3is7 h SER 29 N 0.87 -0.05 0.59 2.45 0.87 -0.64 0.09 113.55 117.73 3is7 h SER 29 Ca 0.28 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.80 3is7 h SER 29 Cb -0.00 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3is7 h SER 29 CO -0.10 0.01 -0.47 0.03 -0.53 0.00 0.00 176.83 175.77 3is7 h ARG 30 N 0.14 0.00 -0.16 2.24 -0.00 -1.04 -0.35 114.38 115.20 3is7 h ARG 30 Ca 0.16 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.58 3is7 h ARG 30 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.16 3is7 h ARG 30 CO -0.23 0.47 -0.12 0.52 0.00 0.00 0.00 179.97 180.60 3is7 h MET 31 N 0.00 0.37 -0.97 0.04 2.86 -0.70 -1.75 114.93 114.79 3is7 h MET 31 Ca -0.00 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3is7 h MET 31 Cb 0.89 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 3is7 h MET 31 CO 0.06 0.72 0.64 -1.49 1.06 0.00 0.00 176.91 177.90 3is7 h TRP 32 N 0.03 1.21 -0.76 -0.22 6.55 -0.55 -1.89 115.95 120.31 3is7 h TRP 32 Ca 0.03 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.85 3is7 h TRP 32 Cb 0.63 -0.41 -0.03 0.00 -0.86 0.00 0.00 29.16 28.49 3is7 h TRP 32 CO 0.08 0.75 0.26 -0.91 -1.05 0.00 0.00 178.44 177.57 3is7 h ASN 33 N 1.29 1.09 0.22 -3.49 -0.26 -1.01 -0.45 115.58 112.98 3is7 h ASN 33 Ca 0.36 -0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.87 3is7 h ASN 33 Cb -0.12 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 36.85 3is7 h ASN 33 CO -0.09 0.99 -0.15 -0.78 -1.06 0.00 0.00 177.43 176.35 3is7 h ASP 34 N 1.13 0.00 0.05 5.81 3.58 -0.96 -1.68 116.42 124.34 3is7 h ASP 34 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 3is7 h ASP 34 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 3is7 h ASP 34 CO -0.01 0.15 -0.07 0.79 -2.88 0.00 0.00 179.24 177.21 3is7 n TRP 35 N -4.06 0.00 -0.80 0.28 8.01 -0.74 -4.92 117.44 115.21 3is7 n TRP 35 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3is7 n TRP 35 Cb 0.23 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 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 1.22 0.55 3.14 6.99 0.00 -0.63 -4.98 105.19 111.48 3is7 n GLY 36 Ca 0.17 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 6.05 0.13 0.99 4.77 -0.24 -4.42 117.00 124.28 3is7 n LEU 37 Ca 0.00 -5.03 -0.01 0.00 -0.03 0.00 0.00 56.01 50.94 3is7 n LEU 37 Cb 0.00 -1.40 0.23 0.00 -2.33 0.00 0.00 43.42 39.92 3is7 n LEU 37 CO 0.00 1.46 0.60 0.11 -1.33 0.00 0.00 177.39 178.23 3is7 h LYS 38 N 6.03 0.10 -0.39 3.23 1.57 -1.20 -1.29 116.57 124.62 3is7 h LYS 38 Ca 0.22 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3is7 h LYS 38 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3is7 h LYS 38 CO 1.25 0.57 -0.09 -0.09 -0.57 0.00 0.00 179.45 180.52 3is7 h ARG 39 N 0.08 0.75 -0.32 3.15 2.43 -1.52 0.45 114.38 119.40 3is7 h ARG 39 Ca 0.00 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 58.75 3is7 h ARG 39 Cb 0.90 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3is7 h ARG 39 CO 0.07 0.89 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.98 3is7 h LEU 40 N 0.55 0.76 -1.00 3.80 3.38 -1.60 -1.76 115.31 119.45 3is7 h LEU 40 Ca 0.10 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3is7 h LEU 40 Cb 0.61 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3is7 h LEU 40 CO 0.04 1.05 -0.04 1.23 0.09 0.00 0.00 178.44 180.80 3is7 h GLY 41 N 0.95 0.72 0.95 0.83 0.00 -1.02 -0.48 103.07 105.03 3is7 h GLY 41 Ca 0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3is7 h GLY 41 CO 0.08 0.45 -0.51 0.00 0.00 0.00 0.00 176.54 176.56 3is7 h ALA 42 N 1.33 0.26 -0.48 3.60 0.00 -0.73 -1.65 119.26 121.60 3is7 h ALA 42 Ca 0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3is7 h ALA 42 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3is7 h ALA 42 CO 0.02 0.45 0.24 1.25 0.00 0.00 0.00 179.25 181.21 3is7 h HIS 43 N 0.26 0.68 -0.36 0.00 6.17 -1.01 -1.98 115.15 118.90 3is7 h HIS 43 Ca -0.02 -0.03 -0.10 0.00 0.71 0.00 0.00 60.37 60.93 3is7 h HIS 43 Cb 1.14 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.84 3is7 h HIS 43 CO 0.10 0.53 -0.20 1.49 0.71 0.00 0.00 177.93 180.56 3is7 h GLU 44 N 0.63 0.69 -0.48 5.26 4.57 -1.12 -1.27 114.58 122.85 3is7 h GLU 44 Ca 0.16 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3is7 h GLU 44 Cb 0.10 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3is7 h GLU 44 CO -0.02 0.84 0.22 -0.92 -1.18 0.00 0.00 179.01 177.95 3is7 h TYR 45 N 0.61 0.41 -0.33 0.92 3.20 -1.15 -0.82 116.97 119.81 3is7 h TYR 45 Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3is7 h TYR 45 Cb 0.67 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3is7 h TYR 45 CO 0.03 0.19 -0.12 0.45 -1.64 0.00 0.00 178.16 177.07 3is7 h HIS 46 N 0.44 0.62 -0.78 -3.82 3.86 -0.71 -1.58 115.15 113.17 3is7 h HIS 46 Ca 0.21 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3is7 h HIS 46 Cb 0.15 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 3is7 h HIS 46 CO -0.12 0.67 0.33 0.93 0.86 0.00 0.00 177.93 180.60 3is7 h GLU 47 N 0.52 1.16 -0.12 2.45 4.39 -0.72 -1.91 114.58 120.36 3is7 h GLU 47 Ca 0.09 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.61 3is7 h GLU 47 Cb 0.52 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3is7 h GLU 47 CO 0.03 0.93 0.02 1.03 -1.16 0.00 0.00 179.01 179.86 3is7 h SER 48 N 1.13 -0.00 -0.57 1.42 0.87 -0.72 -1.83 113.55 113.85 3is7 h SER 48 Ca 0.26 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.91 3is7 h SER 48 Cb 0.19 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 3is7 h SER 48 CO -0.02 0.02 0.25 0.40 -0.53 0.00 0.00 176.83 176.94 3is7 h ILE 49 N 0.07 0.86 -0.35 2.23 1.08 -1.20 -0.41 117.51 119.79 3is7 h ILE 49 Ca 0.05 -0.16 -0.07 0.00 -0.39 0.00 0.00 64.86 64.29 3is7 h ILE 49 Cb 0.05 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 3is7 h ILE 49 CO -0.08 0.08 -0.09 0.44 -0.69 0.00 0.00 178.15 177.82 3is7 h ASP 50 N 0.47 0.58 -0.72 1.72 3.32 -1.16 -1.11 116.42 119.52 3is7 h ASP 50 Ca 0.27 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3is7 h ASP 50 Cb 0.26 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3is7 h ASP 50 CO -0.24 0.70 0.29 -0.33 -1.72 0.00 0.00 179.24 177.95 3is7 h GLU 51 N 0.55 1.08 -0.78 3.56 4.39 -0.76 -1.68 114.58 120.95 3is7 h GLU 51 Ca 0.10 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3is7 h GLU 51 Cb 0.48 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 3is7 h GLU 51 CO 0.03 0.88 0.50 0.52 -1.16 0.00 0.00 179.01 179.78 3is7 h MET 52 N 1.06 0.97 -0.39 2.33 2.86 -0.20 -0.94 114.93 120.62 3is7 h MET 52 Ca 0.25 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 3is7 h MET 52 Cb 0.20 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3is7 h MET 52 CO -0.02 0.64 -0.20 0.87 1.06 0.00 0.00 176.91 179.26 3is7 h LYS 53 N 1.00 0.75 -0.58 1.72 1.57 -0.82 -1.26 116.57 118.95 3is7 h LYS 53 Ca 0.30 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3is7 h LYS 53 Cb -0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3is7 h LYS 53 CO -0.09 0.89 0.24 0.45 -0.57 0.00 0.00 179.45 180.37 3is7 h HIS 54 N 0.66 0.88 -0.76 -1.35 3.86 -0.89 -2.50 115.15 115.05 3is7 h HIS 54 Ca 0.10 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3is7 h HIS 54 Cb 0.69 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 3is7 h HIS 54 CO 0.03 0.70 0.31 0.00 0.86 0.00 0.00 177.93 179.83 3is7 h ALA 55 N 1.09 1.12 -0.24 2.45 0.00 -0.89 -1.76 119.26 121.02 3is7 h ALA 55 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3is7 h ALA 55 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3is7 h ALA 55 CO -0.02 0.64 0.11 0.22 0.00 0.00 0.00 179.25 180.20 3is7 h ASP 56 N 1.10 0.17 -0.67 0.00 3.58 -1.07 -0.70 116.42 118.82 3is7 h ASP 56 Ca 0.26 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 3is7 h ASP 56 Cb 0.19 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 3is7 h ASP 56 CO -0.02 0.13 0.28 0.11 -2.88 0.00 0.00 179.24 176.86 3is7 h LYS 57 N 0.24 1.02 -0.30 0.28 1.57 -1.03 -1.75 116.57 116.60 3is7 h LYS 57 Ca 0.10 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3is7 h LYS 57 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3is7 h LYS 57 CO -0.07 0.82 0.07 -0.07 -0.57 0.00 0.00 179.45 179.63 3is7 h LEU 58 N 1.00 0.47 -0.67 2.94 3.38 -1.19 -1.73 115.31 119.50 3is7 h LEU 58 Ca 0.23 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3is7 h LEU 58 Cb 0.18 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 3is7 h LEU 58 CO -0.02 0.58 0.20 0.40 0.09 0.00 0.00 178.44 179.69 3is7 h ILE 59 N 0.33 0.64 -0.23 1.22 2.04 -0.90 -0.37 117.51 120.23 3is7 h ILE 59 Ca 0.09 -0.11 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 3is7 h ILE 59 Cb 0.30 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3is7 h ILE 59 CO 0.00 0.06 -0.43 -0.33 0.00 0.00 0.00 178.15 177.45 3is7 h GLU 60 N 0.33 0.57 0.08 2.37 5.08 -1.13 -2.40 114.58 119.48 3is7 h GLU 60 Ca 0.36 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3is7 h GLU 60 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3is7 h GLU 60 CO -0.41 0.89 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.37 3is7 h ARG 61 N 0.46 -0.10 -0.67 2.33 9.65 -0.87 -1.75 114.38 123.44 3is7 h ARG 61 Ca 0.03 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.06 3is7 h ARG 61 Cb 0.94 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.45 3is7 h ARG 61 CO 0.08 0.26 0.15 0.82 2.80 0.00 0.00 179.97 184.08 3is7 h ILE 62 N -0.47 0.58 -0.38 1.20 2.04 -1.03 -0.16 117.51 119.28 3is7 h ILE 62 Ca -0.01 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 3is7 h ILE 62 Cb 0.40 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3is7 h ILE 62 CO 0.02 0.05 -0.06 -0.07 0.00 0.00 0.00 178.15 178.09 3is7 h LEU 63 N 0.26 0.71 -0.91 1.44 4.07 -1.43 0.52 115.31 119.98 3is7 h LEU 63 Ca 0.36 -0.34 0.04 0.00 0.08 0.00 0.00 57.88 58.01 3is7 h LEU 63 Cb 0.58 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.07 3is7 h LEU 63 CO -0.46 0.89 0.59 0.15 -1.08 0.00 0.00 178.44 178.53 3is7 h PHE 64 N 0.52 1.10 0.00 1.13 3.57 -0.86 -0.35 116.94 122.06 3is7 h PHE 64 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3is7 h PHE 64 Cb 0.56 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.93 3is7 h PHE 64 CO 0.05 0.63 0.00 1.28 -2.23 0.00 0.00 178.31 178.04 3is7 n LEU 65 N -4.51 0.00 -1.06 0.59 4.77 -0.11 -4.85 117.00 111.82 3is7 n LEU 65 Ca 0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3is7 n LEU 65 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3is7 n LEU 65 CO 0.34 0.00 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.66 3is7 n GLU 66 N -0.69 -0.79 -2.70 3.23 1.02 -0.14 -3.40 120.64 117.18 3is7 n GLU 66 Ca 0.08 0.59 -0.23 0.00 -0.02 0.00 0.00 57.16 57.58 3is7 n GLU 66 Cb 0.04 -4.62 0.10 0.00 -0.02 0.00 0.00 31.44 26.94 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 -2.63 1.75 -0.27 0.62 0.00 0.08 -4.98 107.32 101.89 3is7 s GLY 67 Ca 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 3is7 s GLY 67 CO 0.00 -1.31 -0.01 1.08 0.00 0.00 0.00 173.10 172.86 3is7 s LEU 68 N -5.04 3.45 0.18 0.66 1.43 -1.26 -4.35 118.68 113.74 3is7 s LEU 68 Ca 0.66 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 3is7 s LEU 68 Cb -0.05 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 3is7 s LEU 68 CO 0.43 -0.16 1.27 -2.84 0.23 0.00 0.00 176.35 175.29 3is7 s PRO 69 N 1.38 4.42 -0.55 1.29 0.02 -1.26 -4.97 135.00 135.32 3is7 s PRO 69 Ca 0.01 1.98 -0.12 0.00 0.02 0.00 0.00 61.00 62.89 3is7 s PRO 69 Cb -0.17 -3.22 0.14 0.00 0.02 0.00 0.00 34.50 31.27 3is7 s PRO 69 CO -0.02 -0.22 0.47 1.21 -0.33 0.00 0.00 177.00 178.11 3is7 s ASN 70 N 0.38 6.00 -0.02 2.53 3.84 -1.26 -4.85 114.94 121.56 3is7 s ASN 70 Ca 0.56 -2.03 0.22 0.00 0.21 0.00 0.00 52.86 51.82 3is7 s ASN 70 Cb -0.35 -2.10 0.67 0.00 -0.55 0.00 0.00 41.25 38.92 3is7 s ASN 70 CO 0.36 -0.72 1.56 0.18 -2.79 0.00 0.00 177.10 175.70 3is7 n LEU 71 N 4.82 4.14 -0.03 3.21 4.32 -1.26 -4.56 117.00 127.64 3is7 n LEU 71 Ca -0.06 -2.09 -0.16 0.00 -0.02 0.00 0.00 56.01 53.68 3is7 n LEU 71 Cb 0.41 -0.51 -0.14 0.00 -1.62 0.00 0.00 43.42 41.56 3is7 n LEU 71 CO 0.45 0.96 -0.82 1.67 -1.22 0.00 0.00 177.39 178.43 3is7 n GLN 72 N 1.56 0.70 -3.23 3.23 -0.06 -1.26 -4.80 117.38 113.52 3is7 n GLN 72 Ca 0.25 0.23 -0.41 0.00 -2.00 0.00 0.00 57.00 55.07 3is7 n GLN 72 Cb 0.68 -1.69 -0.08 0.00 -4.06 0.00 0.00 30.24 25.09 3is7 n GLN 72 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3is7 s ASP 73 N -6.50 6.36 -0.30 1.69 1.01 -1.26 -5.01 116.67 112.65 3is7 s ASP 73 Ca -0.17 0.18 -0.06 0.00 0.71 0.00 0.00 52.55 53.21 3is7 s ASP 73 Cb 0.07 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.75 3is7 s ASP 73 CO 0.77 -0.42 0.07 -0.22 0.21 0.00 0.00 175.17 175.58 3is7 s LEU 74 N 2.40 3.92 0.00 1.23 2.96 -1.26 -4.86 118.68 123.06 3is7 s LEU 74 Ca 0.20 -0.87 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 3is7 s LEU 74 Cb -0.15 -1.85 0.12 0.00 0.50 0.00 0.00 46.19 44.81 3is7 s LEU 74 CO 0.12 -0.23 0.42 0.61 -1.32 0.00 0.00 176.35 175.96 3is7 n GLY 75 N 4.82 -2.66 3.67 7.98 0.00 -1.26 -4.95 105.19 112.79 3is7 n GLY 75 Ca -0.14 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.97 4.28 0.08 1.61 2.47 -1.26 -4.91 119.74 118.04 3is7 s LYS 76 Ca 0.28 1.76 -0.31 0.00 -1.56 0.00 0.00 55.97 56.15 3is7 s LYS 76 Cb -0.03 -3.68 -0.06 0.00 -1.46 0.00 0.00 37.83 32.60 3is7 s LYS 76 CO 0.21 -0.61 1.20 -0.51 0.16 0.00 0.00 175.35 175.80 3is7 s LEU 77 N 2.94 4.38 -0.82 5.43 1.02 -1.26 -5.00 118.68 125.37 3is7 s LEU 77 Ca 0.58 2.05 -0.16 0.00 0.02 0.00 0.00 54.13 56.63 3is7 s LEU 77 Cb -0.25 -3.58 0.19 0.00 0.02 0.00 0.00 46.19 42.56 3is7 s LEU 77 CO 0.20 -0.45 0.83 -0.76 0.02 0.00 0.00 176.35 176.20 3is7 s LEU 78 N 0.86 6.24 -0.25 1.79 1.43 -1.26 -5.04 118.68 122.45 3is7 s LEU 78 Ca 0.58 -2.41 -0.10 0.00 -1.03 0.00 0.00 54.13 51.17 3is7 s LEU 78 Cb -0.30 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3is7 s LEU 78 CO 0.30 -0.74 0.14 -0.63 0.23 0.00 0.00 176.35 175.66 3is7 s ILE 79 N 0.99 5.06 0.78 -0.59 -1.09 -1.26 -4.73 121.20 120.36 3is7 s ILE 79 Ca 0.20 0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.66 3is7 s ILE 79 Cb -0.11 -3.38 0.14 0.00 -1.58 0.00 0.00 42.46 37.53 3is7 s ILE 79 CO -0.07 0.31 1.07 -0.83 -1.23 0.00 0.00 174.94 174.19 3is7 s GLY 80 N 1.41 1.76 0.00 6.18 0.00 -1.26 -4.99 107.32 110.42 3is7 s GLY 80 Ca 0.07 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3is7 s GLY 80 CO 0.07 -0.95 0.35 -1.84 0.00 0.00 0.00 173.10 170.73 3is7 n GLU 81 N -3.06 1.39 -4.11 2.90 0.28 -1.26 -4.77 120.64 112.01 3is7 n GLU 81 Ca 0.15 -0.35 -0.12 0.00 -0.16 0.00 0.00 57.16 56.67 3is7 n GLU 81 Cb 0.60 -0.85 -0.07 0.00 1.43 0.00 0.00 31.44 32.55 3is7 n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3is7 s ASN 82 N -0.30 0.40 0.12 -1.84 2.20 -1.26 -5.03 114.94 109.24 3is7 s ASN 82 Ca 0.00 -1.30 -0.25 0.00 -0.94 0.00 0.00 52.86 50.37 3is7 s ASN 82 Cb 0.00 0.54 -0.06 0.00 -2.00 0.00 0.00 41.25 39.73 3is7 s ASN 82 CO 0.00 -1.08 1.65 0.74 -2.94 0.00 0.00 177.10 175.48 3is7 h THR 83 N 2.33 0.52 -0.78 0.54 2.02 -1.99 0.24 112.91 115.79 3is7 h THR 83 Ca -0.30 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.99 3is7 h THR 83 Cb 1.25 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 68.10 3is7 h THR 83 CO 0.42 0.00 0.41 -0.61 0.37 0.00 0.00 175.52 176.11 3is7 h GLN 84 N -0.33 0.65 -0.21 6.66 4.15 -2.00 -1.52 115.11 122.51 3is7 h GLN 84 Ca 0.06 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 3is7 h GLN 84 Cb 0.41 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 3is7 h GLN 84 CO -0.18 0.43 -0.58 0.93 -1.93 0.00 0.00 178.83 177.50 3is7 h GLU 85 N 0.67 0.66 -0.68 1.69 5.08 -1.59 -2.22 114.58 118.18 3is7 h GLU 85 Ca 0.39 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3is7 h GLU 85 Cb 0.43 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3is7 h GLU 85 CO -0.28 1.05 0.35 0.52 -1.00 0.00 0.00 179.01 179.65 3is7 h MET 86 N 0.50 0.96 -0.41 2.33 2.86 0.04 0.11 114.93 121.31 3is7 h MET 86 Ca 0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3is7 h MET 86 Cb 1.15 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3is7 h MET 86 CO 0.11 0.74 0.09 -0.07 1.06 0.00 0.00 176.91 178.84 3is7 h LEU 87 N 0.94 0.64 -1.12 1.22 3.38 -1.19 -1.28 115.31 117.89 3is7 h LEU 87 Ca 0.24 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3is7 h LEU 87 Cb 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3is7 h LEU 87 CO -0.03 0.72 0.01 -0.61 0.09 0.00 0.00 178.44 178.61 3is7 h GLN 88 N 0.53 0.62 -0.51 1.13 5.75 -1.04 -0.71 115.11 120.89 3is7 h GLN 88 Ca 0.13 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3is7 h GLN 88 Cb 0.33 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3is7 h GLN 88 CO 0.00 0.64 0.14 0.00 -2.65 0.00 0.00 178.83 176.96 3is7 h ASP 90 N 0.70 0.97 -0.15 0.00 3.32 -0.85 -0.19 116.42 120.22 3is7 h ASP 90 Ca 0.16 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3is7 h ASP 90 Cb 0.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3is7 h ASP 90 CO -0.00 0.82 0.05 0.25 -1.72 0.00 0.00 179.24 178.64 3is7 h LEU 91 N 1.07 0.21 -1.07 1.55 5.85 -0.54 0.12 115.31 122.49 3is7 h LEU 91 Ca 0.26 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3is7 h LEU 91 Cb 0.10 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3is7 h LEU 91 CO -0.03 0.33 0.58 0.78 -0.34 0.00 0.00 178.44 179.76 3is7 h ASN 92 N 0.07 1.06 -0.35 1.25 2.35 -0.70 -0.44 115.58 118.82 3is7 h ASN 92 Ca 0.05 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3is7 h ASN 92 Cb 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3is7 h ASN 92 CO -0.00 0.78 0.11 0.25 -1.65 0.00 0.00 177.43 176.92 3is7 h LEU 93 N 1.24 0.51 -1.12 1.61 5.85 -0.72 -2.90 115.31 119.77 3is7 h LEU 93 Ca 0.33 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3is7 h LEU 93 Cb -0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3is7 h LEU 93 CO -0.07 0.57 0.03 -0.33 -0.34 0.00 0.00 178.44 178.30 3is7 h GLU 94 N 0.42 0.64 -0.39 1.25 4.39 0.05 -1.12 114.58 119.82 3is7 h GLU 94 Ca 0.11 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3is7 h GLU 94 Cb 0.24 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3is7 h GLU 94 CO -0.00 0.65 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.26 3is7 h LEU 95 N 0.62 0.73 -0.57 1.33 3.38 -0.95 -2.11 115.31 117.73 3is7 h LEU 95 Ca 0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3is7 h LEU 95 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3is7 h LEU 95 CO 0.01 0.90 0.17 0.50 0.09 0.00 0.00 178.44 180.10 3is7 h LYS 96 N 0.65 0.90 -0.97 1.13 1.63 -1.38 -2.46 116.57 116.08 3is7 h LYS 96 Ca 0.10 -0.20 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3is7 h LYS 96 Cb 0.64 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.09 3is7 h LYS 96 CO 0.04 0.82 0.64 0.00 -3.45 0.00 0.00 179.45 177.50 3is7 h ALA 97 N 1.04 1.25 0.01 5.00 0.00 -0.72 -2.67 119.26 123.17 3is7 h ALA 97 Ca 0.18 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 3is7 h ALA 97 Cb 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3is7 h ALA 97 CO -0.00 0.58 -0.96 0.00 0.00 0.00 0.00 179.25 178.86 3is7 h THR 98 N 1.27 1.40 -0.54 0.00 1.03 -1.36 -1.05 112.91 113.67 3is7 h THR 98 Ca 0.37 -2.47 0.03 0.00 -0.01 0.00 0.00 66.41 64.32 3is7 h THR 98 Cb -0.09 2.44 -0.04 0.00 -1.07 0.00 0.00 68.15 69.39 3is7 h THR 98 CO -0.09 0.74 0.32 0.50 -0.01 0.00 0.00 175.52 176.97 3is7 h LYS 99 N 0.23 0.61 -0.00 0.00 3.64 -1.22 -1.59 116.57 118.23 3is7 h LYS 99 Ca -0.08 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 3is7 h LYS 99 Cb 1.60 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 3is7 h LYS 99 CO 0.17 0.40 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.74 3is7 h ASP 100 N 0.62 0.01 -0.22 4.20 3.32 -1.26 -2.10 116.42 120.99 3is7 h ASP 100 Ca 0.22 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3is7 h ASP 100 Cb 0.05 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3is7 h ASP 100 CO -0.11 0.58 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.92 3is7 h LEU 101 N 0.01 0.39 -0.69 1.55 -0.00 -0.69 -1.48 115.31 114.40 3is7 h LEU 101 Ca -0.01 -0.31 0.04 0.00 -0.00 0.00 0.00 57.88 57.60 3is7 h LEU 101 Cb 1.01 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.52 3is7 h LEU 101 CO 0.08 0.61 0.42 0.03 -0.00 0.00 0.00 178.44 179.57 3is7 h ARG 102 N 0.16 0.78 -0.47 1.13 3.08 -1.08 -0.60 114.38 117.37 3is7 h ARG 102 Ca 0.06 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3is7 h ARG 102 Cb 0.41 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3is7 h ARG 102 CO 0.01 0.52 0.28 0.93 -1.07 0.00 0.00 179.97 180.64 3is7 h GLU 103 N 0.80 0.54 -0.52 0.04 5.08 -1.27 -0.05 114.58 119.20 3is7 h GLU 103 Ca 0.29 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3is7 h GLU 103 Cb 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3is7 h GLU 103 CO -0.13 0.36 0.16 0.00 -1.00 0.00 0.00 179.01 178.40 3is7 h ALA 104 N 1.21 1.31 -0.24 3.43 0.00 -0.89 -2.36 119.26 121.72 3is7 h ALA 104 Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3is7 h ALA 104 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3is7 h ALA 104 CO -0.09 0.50 -0.32 0.82 0.00 0.00 0.00 179.25 180.16 3is7 h ILE 105 N 0.75 1.31 -0.53 0.00 2.04 -0.46 -1.02 117.51 119.59 3is7 h ILE 105 Ca 0.17 -1.51 0.11 0.00 1.00 0.00 0.00 64.86 64.63 3is7 h ILE 105 Cb 0.22 1.72 -0.11 0.00 -0.74 0.00 0.00 36.82 37.92 3is7 h ILE 105 CO -0.01 0.48 -0.19 0.58 0.00 0.00 0.00 178.15 179.01 3is7 h VAL 106 N 0.35 0.38 -0.57 1.67 2.07 -0.80 -2.13 116.25 117.22 3is7 h VAL 106 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3is7 h VAL 106 Cb 0.90 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3is7 h VAL 106 CO 0.08 0.00 0.34 -0.74 0.02 0.00 0.00 177.57 177.26 3is7 h HIS 107 N -0.06 0.76 -0.80 1.57 -0.00 -1.07 -2.35 115.15 113.20 3is7 h HIS 107 Ca 0.25 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.65 3is7 h HIS 107 Cb 0.45 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.56 3is7 h HIS 107 CO -0.49 0.52 0.51 0.00 -0.00 0.00 0.00 177.93 178.48 3is7 h GLU 109 N 1.00 -0.49 -0.71 0.00 4.57 -1.20 0.27 114.58 118.02 3is7 h GLU 109 Ca 0.32 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.68 3is7 h GLU 109 Cb 0.01 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 28.60 3is7 h GLU 109 CO -0.11 -0.33 0.16 0.37 -1.18 0.00 0.00 179.01 177.92 3is7 h GLN 110 N -0.51 0.26 -0.64 1.92 4.15 -1.24 0.08 115.11 119.12 3is7 h GLN 110 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3is7 h GLN 110 Cb 0.48 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3is7 h GLN 110 CO -0.06 0.17 0.00 1.33 -1.93 0.00 0.00 178.83 178.34 3is7 n VAL 111 N -5.16 1.66 -2.46 2.39 0.24 -0.90 -4.93 118.33 109.17 3is7 n VAL 111 Ca 0.13 -1.01 -0.20 0.00 -2.04 0.00 0.00 64.34 61.21 3is7 n VAL 111 Cb 0.43 -0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.86 -1.12 -3.11 6.34 8.25 0.01 -4.93 115.22 121.53 3is7 n HIS 112 Ca 0.22 0.05 -0.45 0.00 -0.26 0.00 0.00 57.72 57.28 3is7 n HIS 112 Cb 0.81 -3.93 -0.00 0.00 1.12 0.00 0.00 29.99 27.98 3is7 n HIS 112 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3is7 s ASP 113 N -2.11 7.09 0.18 0.41 -1.08 0.83 -4.83 116.67 117.16 3is7 s ASP 113 Ca 0.03 -3.08 0.03 0.00 -0.52 0.00 0.00 52.55 49.01 3is7 s ASP 113 Cb -0.01 -2.32 0.05 0.00 -1.46 0.00 0.00 42.92 39.17 3is7 s ASP 113 CO 0.03 -0.61 1.41 1.88 0.52 0.00 0.00 175.17 178.41 3is7 h TYR 114 N 7.22 0.31 -0.55 -5.34 0.05 -1.92 -2.33 116.97 114.40 3is7 h TYR 114 Ca 0.24 -0.16 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 3is7 h TYR 114 Cb 0.90 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 3is7 h TYR 114 CO 0.99 0.94 0.01 0.28 -1.05 0.00 0.00 178.16 179.32 3is7 h VAL 115 N 0.13 1.26 -0.38 -2.88 2.07 -1.97 -0.76 116.25 113.72 3is7 h VAL 115 Ca -0.04 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 3is7 h VAL 115 Cb 1.42 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3is7 h VAL 115 CO 0.13 0.40 -0.21 0.28 0.02 0.00 0.00 177.57 178.19 3is7 h SER 116 N 0.86 0.76 -0.41 0.57 0.02 -1.95 -1.65 113.55 111.75 3is7 h SER 116 Ca 0.16 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3is7 h SER 116 Cb 0.53 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3is7 h SER 116 CO 0.03 0.95 0.22 -0.09 -1.14 0.00 0.00 176.83 176.80 3is7 h ARG 117 N 0.66 0.57 -0.96 3.45 2.43 -1.26 -1.75 114.38 117.52 3is7 h ARG 117 Ca 0.09 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3is7 h ARG 117 Cb 0.70 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 3is7 h ARG 117 CO 0.05 0.46 0.62 0.22 -1.51 0.00 0.00 179.97 179.81 3is7 h ASP 118 N 0.52 1.01 -0.16 -3.80 3.58 -0.61 -0.86 116.42 116.10 3is7 h ASP 118 Ca 0.14 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 3is7 h ASP 118 Cb 0.06 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3is7 h ASP 118 CO -0.02 0.67 0.09 0.25 -2.88 0.00 0.00 179.24 177.35 3is7 h LEU 119 N 1.16 0.19 -0.73 2.28 6.46 -1.10 -1.82 115.31 121.75 3is7 h LEU 119 Ca 0.40 -0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.97 3is7 h LEU 119 Cb 0.08 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3is7 h LEU 119 CO -0.15 0.20 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.43 3is7 h LEU 120 N 0.17 0.57 -1.26 2.25 3.38 -1.02 -2.08 115.31 117.32 3is7 h LEU 120 Ca 0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3is7 h LEU 120 Cb 0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3is7 h LEU 120 CO -0.01 0.89 0.50 0.50 0.09 0.00 0.00 178.44 180.41 3is7 h LYS 121 N 0.45 0.99 -0.43 1.13 3.11 -0.89 0.10 116.57 121.04 3is7 h LYS 121 Ca 0.05 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.68 3is7 h LYS 121 Cb 0.85 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 3is7 h LYS 121 CO 0.07 0.66 -0.30 -0.44 -2.81 0.00 0.00 179.45 176.63 3is7 h ASP 122 N 1.02 1.00 -0.51 4.20 3.32 -0.69 -1.44 116.42 123.32 3is7 h ASP 122 Ca 0.28 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3is7 h ASP 122 Cb -0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.14 3is7 h ASP 122 CO -0.06 1.22 0.11 0.40 -1.72 0.00 0.00 179.24 179.19 3is7 h ILE 123 N 0.79 1.24 -0.97 0.35 2.04 -1.13 -1.94 117.51 117.89 3is7 h ILE 123 Ca 0.08 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3is7 h ILE 123 Cb 0.88 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3is7 h ILE 123 CO 0.08 0.32 0.63 0.25 0.00 0.00 0.00 178.15 179.42 3is7 h LEU 124 N 0.71 1.13 -0.53 1.44 5.85 -0.52 0.08 115.31 123.47 3is7 h LEU 124 Ca 0.16 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3is7 h LEU 124 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3is7 h LEU 124 CO 0.00 0.83 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.84 3is7 h GLU 125 N 1.32 0.94 -0.74 1.25 4.81 -1.03 -0.23 114.58 120.90 3is7 h GLU 125 Ca 0.35 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3is7 h GLU 125 Cb -0.12 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 3is7 h GLU 125 CO -0.07 0.97 0.28 1.03 -0.73 0.00 0.00 179.01 180.48 3is7 h SER 126 N 0.82 1.03 -0.31 1.04 0.87 -0.93 -1.74 113.55 114.32 3is7 h SER 126 Ca 0.15 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3is7 h SER 126 Cb 0.55 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3is7 h SER 126 CO 0.03 0.93 0.00 -0.33 -0.53 0.00 0.00 176.83 176.93 3is7 h GLU 127 N 1.09 0.66 -0.28 2.24 4.39 -0.63 -2.11 114.58 119.93 3is7 h GLU 127 Ca 0.25 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 3is7 h GLU 127 Cb 0.23 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3is7 h GLU 127 CO -0.02 0.68 -0.22 0.93 -1.16 0.00 0.00 179.01 179.22 3is7 h GLU 128 N 0.63 0.53 -0.52 2.33 5.08 -0.68 -0.32 114.58 121.62 3is7 h GLU 128 Ca 0.13 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3is7 h GLU 128 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3is7 h GLU 128 CO 0.01 0.71 0.21 0.93 -1.00 0.00 0.00 179.01 179.88 3is7 h GLU 129 N 0.47 0.79 -0.32 2.33 5.08 -1.03 -0.45 114.58 121.44 3is7 h GLU 129 Ca 0.07 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3is7 h GLU 129 Cb 0.64 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3is7 h GLU 129 CO 0.05 0.69 0.17 1.25 -1.00 0.00 0.00 179.01 180.17 3is7 h HIS 130 N 0.71 0.42 -0.29 4.33 2.76 -0.85 -0.74 115.15 121.49 3is7 h HIS 130 Ca 0.17 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 3is7 h HIS 130 Cb 0.20 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3is7 h HIS 130 CO 0.01 0.30 -0.15 0.82 -1.30 0.00 0.00 177.93 177.61 3is7 h ILE 131 N 0.45 1.30 -0.25 6.26 2.04 -0.47 -1.60 117.51 125.23 3is7 h ILE 131 Ca 0.12 -1.25 0.06 0.00 1.00 0.00 0.00 64.86 64.79 3is7 h ILE 131 Cb 0.02 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3is7 h ILE 131 CO -0.02 0.40 -0.21 -0.78 0.00 0.00 0.00 178.15 177.54 3is7 h ASP 132 N 0.36 -0.67 -0.44 1.72 3.58 -0.71 -0.54 116.42 119.72 3is7 h ASP 132 Ca 0.06 0.13 0.08 0.00 0.42 0.00 0.00 57.03 57.72 3is7 h ASP 132 Cb 0.67 0.33 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 3is7 h ASP 132 CO 0.04 -0.25 0.02 0.22 -2.88 0.00 0.00 179.24 176.40 3is7 h TYR 133 N -0.20 0.02 -0.29 0.28 3.20 -0.96 -1.97 116.97 117.05 3is7 h TYR 133 Ca 0.14 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3is7 h TYR 133 Cb 0.42 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3is7 h TYR 133 CO -0.37 -0.07 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.95 3is7 h LEU 134 N 0.14 0.54 -0.88 2.82 -0.00 -0.68 -0.01 115.31 117.24 3is7 h LEU 134 Ca 0.22 -0.36 -0.05 0.00 -0.00 0.00 0.00 57.88 57.69 3is7 h LEU 134 Cb 0.31 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 3is7 h LEU 134 CO -0.35 0.77 0.22 -0.33 -0.00 0.00 0.00 178.44 178.76 3is7 h GLU 135 N 0.31 1.05 -0.77 1.13 5.08 -1.05 -1.49 114.58 118.84 3is7 h GLU 135 Ca 0.07 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3is7 h GLU 135 Cb 0.53 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 3is7 h GLU 135 CO 0.03 0.89 0.49 1.15 -1.00 0.00 0.00 179.01 180.57 3is7 h THR 136 N 1.01 1.13 -0.33 1.13 2.02 -1.19 -0.26 112.91 116.42 3is7 h THR 136 Ca 0.22 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 3is7 h THR 136 Cb 0.27 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3is7 h THR 136 CO -0.01 0.18 0.03 1.56 0.37 0.00 0.00 175.52 177.65 3is7 h GLN 137 N 0.97 0.57 -0.85 6.66 1.08 -0.19 0.22 115.11 123.57 3is7 h GLN 137 Ca 0.31 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3is7 h GLN 137 Cb -0.01 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 3is7 h GLN 137 CO -0.10 0.67 0.43 -0.07 -0.95 0.00 0.00 178.83 178.81 3is7 h LEU 138 N 0.39 1.08 -0.34 1.46 -0.00 -1.19 -0.52 115.31 116.19 3is7 h LEU 138 Ca 0.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 3is7 h LEU 138 Cb 0.39 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 3is7 h LEU 138 CO 0.01 0.90 0.15 1.23 -0.00 0.00 0.00 178.44 180.73 3is7 h GLY 139 N 1.19 0.53 0.69 0.83 0.00 -0.68 -3.06 103.07 102.58 3is7 h GLY 139 Ca 0.29 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3is7 h GLY 139 CO -0.04 0.26 0.56 1.41 0.00 0.00 0.00 176.54 178.73 3is7 h LEU 140 N 0.41 0.87 -1.11 3.11 3.38 0.26 -1.43 115.31 120.80 3is7 h LEU 140 Ca 0.11 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.26 3is7 h LEU 140 Cb 0.15 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 3is7 h LEU 140 CO -0.01 0.55 0.61 0.40 0.09 0.00 0.00 178.44 180.08 3is7 h ILE 141 N 1.00 0.81 -0.06 1.22 2.04 -1.03 0.26 117.51 121.75 3is7 h ILE 141 Ca 0.40 -0.28 -0.24 0.00 1.00 0.00 0.00 64.86 65.74 3is7 h ILE 141 Cb 0.20 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3is7 h ILE 141 CO -0.18 0.15 -0.91 1.56 0.00 0.00 0.00 178.15 178.76 3is7 h GLN 142 N 0.80 0.69 0.06 2.37 1.08 -1.22 -2.04 115.11 116.84 3is7 h GLN 142 Ca 0.51 -0.65 -0.24 0.00 -1.45 0.00 0.00 58.65 56.82 3is7 h GLN 142 Cb 0.73 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3is7 h GLN 142 CO -0.28 1.25 -1.06 0.87 -0.95 0.00 0.00 178.83 178.66 3is7 h LYS 143 N 0.43 0.25 0.00 1.46 1.57 -0.70 -3.36 116.57 116.22 3is7 h LYS 143 Ca -0.09 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3is7 h LYS 143 Cb 1.55 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.98 3is7 h LYS 143 CO 0.18 1.10 -1.04 1.33 -0.57 0.00 0.00 179.45 180.45 3is7 n VAL 144 N -3.59 0.00 0.00 0.50 0.24 0.02 -5.10 118.33 110.40 3is7 n VAL 144 Ca -0.06 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3is7 n VAL 144 Cb 0.92 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 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 1.44 1.66 0.20 7.63 0.00 -0.77 -4.44 105.19 110.91 3is7 n GLY 145 Ca 0.01 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 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 0.44 -0.52 0.99 5.85 -1.91 0.12 115.31 120.28 3is7 h LEU 146 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3is7 h LEU 146 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3is7 h LEU 146 CO 0.00 0.31 0.34 -0.33 -0.34 0.00 0.00 178.44 178.42 3is7 h GLU 147 N 0.55 0.68 -0.76 1.25 5.08 -1.93 -0.26 114.58 119.20 3is7 h GLU 147 Ca 0.20 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3is7 h GLU 147 Cb 0.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3is7 h GLU 147 CO -0.10 0.45 0.29 -0.91 -1.00 0.00 0.00 179.01 177.74 3is7 h ASN 148 N 0.70 1.06 -0.41 1.42 2.35 -1.71 -1.46 115.58 117.53 3is7 h ASN 148 Ca 0.19 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3is7 h ASN 148 Cb -0.07 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 3is7 h ASN 148 CO -0.05 0.95 0.19 0.22 -1.65 0.00 0.00 177.43 177.09 3is7 h TYR 149 N 1.10 0.60 -0.20 1.19 3.20 -0.37 -1.61 116.97 120.88 3is7 h TYR 149 Ca 0.25 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3is7 h TYR 149 Cb 0.24 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3is7 h TYR 149 CO 0.02 0.51 0.10 -0.07 -1.64 0.00 0.00 178.16 177.07 3is7 h LEU 150 N 0.52 0.26 -0.69 2.82 3.38 -0.97 -2.92 115.31 117.72 3is7 h LEU 150 Ca 0.14 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3is7 h LEU 150 Cb 0.14 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 3is7 h LEU 150 CO -0.02 0.31 -0.14 -0.61 0.09 0.00 0.00 178.44 178.08 3is7 h GLN 151 N 0.19 0.02 0.00 1.13 4.15 -1.04 0.02 115.11 119.58 3is7 h GLN 151 Ca 0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3is7 h GLN 151 Cb 0.12 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3is7 h GLN 151 CO -0.01 0.01 0.00 0.43 -1.93 0.00 0.00 178.83 177.33 3is7 n SER 152 N -5.44 0.00 -0.20 -0.69 7.64 -0.63 -2.20 113.62 112.11 3is7 n SER 152 Ca 0.10 -0.14 0.05 0.00 1.01 0.00 0.00 58.87 59.89 3is7 n SER 152 Cb 0.37 -0.18 0.10 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.18 0.15 -0.03 1.43 8.25 -0.03 -4.65 115.22 119.16 3is7 n HIS 153 Ca 0.09 -0.72 -0.16 0.00 -0.26 0.00 0.00 57.72 56.67 3is7 n HIS 153 Cb 0.09 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 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 0.43 0.52 -5.73 -0.41 2.86 -1.22 -1.81 114.93 109.56 3is7 h MET 154 Ca 0.00 -0.40 -0.66 0.00 -2.06 0.00 0.00 59.70 56.58 3is7 h MET 154 Cb 0.81 0.08 -0.19 0.00 0.06 0.00 0.00 31.60 32.36 3is7 h MET 154 CO 0.02 1.03 -0.66 -1.01 1.06 0.00 0.00 176.91 177.35 3is7 s HIS 155 N -3.76 3.05 -2.00 -0.22 3.76 -1.26 -2.78 115.29 112.09 3is7 s HIS 155 Ca -0.13 -0.05 0.08 0.00 -0.15 0.00 0.00 55.06 54.81 3is7 s HIS 155 Cb 0.06 -1.84 0.45 0.00 1.11 0.00 0.00 32.58 32.36 3is7 s HIS 155 CO 0.82 0.23 0.91 0.39 -0.85 0.00 0.00 174.74 176.24