#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 6.59 0.36 1.61 2.15 -1.26 -4.91 116.67 121.20 3is7 s ASP 4 Ca 0.00 2.40 0.11 0.00 0.43 0.00 0.00 52.55 55.49 3is7 s ASP 4 Cb 0.00 -2.53 0.89 0.00 -0.30 0.00 0.00 42.92 40.97 3is7 s ASP 4 CO 0.00 -0.97 1.82 0.50 -0.17 0.00 0.00 175.17 176.35 3is7 h LYS 5 N 9.89 0.60 0.00 4.34 3.64 -2.00 0.12 116.57 133.16 3is7 h LYS 5 Ca -0.43 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 58.74 3is7 h LYS 5 Cb 1.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3is7 h LYS 5 CO 0.95 0.40 -0.81 0.87 -2.27 0.00 0.00 179.45 178.58 3is7 h LYS 6 N 0.62 0.00 -0.08 1.90 1.57 -1.99 -1.61 116.57 116.99 3is7 h LYS 6 Ca 0.52 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.33 3is7 h LYS 6 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 3is7 h LYS 6 CO -0.27 0.81 -0.08 0.28 -0.57 0.00 0.00 179.45 179.62 3is7 h VAL 7 N 0.00 0.78 -0.56 0.50 2.07 -1.40 -0.42 116.25 117.23 3is7 h VAL 7 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3is7 h VAL 7 Cb 1.48 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 3is7 h VAL 7 CO 0.11 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.33 3is7 h ILE 8 N -0.10 0.85 -0.57 4.57 2.04 -1.16 0.62 117.51 123.77 3is7 h ILE 8 Ca 0.06 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3is7 h ILE 8 Cb 0.18 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3is7 h ILE 8 CO -0.14 0.08 0.29 1.56 0.00 0.00 0.00 178.15 179.95 3is7 h GLN 9 N 0.44 0.54 -0.50 2.37 4.20 -1.18 0.45 115.11 121.43 3is7 h GLN 9 Ca 0.27 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 3is7 h GLN 9 Cb 0.27 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3is7 h GLN 9 CO -0.24 0.36 0.19 0.45 -0.67 0.00 0.00 178.83 178.92 3is7 h HIS 10 N 0.56 0.77 -0.57 2.96 3.86 -0.28 -1.62 115.15 120.83 3is7 h HIS 10 Ca 0.25 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 3is7 h HIS 10 Cb 0.16 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3is7 h HIS 10 CO -0.10 0.64 0.13 -0.07 0.86 0.00 0.00 177.93 179.39 3is7 h LEU 11 N 0.67 0.83 -0.96 2.43 3.38 -0.51 -1.27 115.31 119.88 3is7 h LEU 11 Ca 0.17 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3is7 h LEU 11 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3is7 h LEU 11 CO -0.01 0.82 -0.46 0.78 0.09 0.00 0.00 178.44 179.65 3is7 h ASN 12 N 0.85 0.14 -0.06 -0.43 2.35 -0.77 0.21 115.58 117.87 3is7 h ASN 12 Ca 0.18 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3is7 h ASN 12 Cb 0.32 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3is7 h ASN 12 CO 0.00 0.59 -0.01 0.50 -1.65 0.00 0.00 177.43 176.85 3is7 h LYS 13 N 0.11 0.11 -0.59 0.81 3.64 -0.54 0.25 116.57 120.36 3is7 h LYS 13 Ca 0.01 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 3is7 h LYS 13 Cb 0.86 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.59 3is7 h LYS 13 CO 0.07 0.45 0.11 0.82 -2.27 0.00 0.00 179.45 178.63 3is7 h ILE 14 N -0.24 0.64 -0.72 2.00 1.08 -1.13 -1.12 117.51 118.02 3is7 h ILE 14 Ca 0.01 -0.08 0.11 0.00 -0.39 0.00 0.00 64.86 64.52 3is7 h ILE 14 Cb 0.41 0.37 -0.08 0.00 -3.07 0.00 0.00 36.82 34.44 3is7 h ILE 14 CO 0.01 0.04 0.32 0.25 -0.69 0.00 0.00 178.15 178.08 3is7 h LEU 15 N 0.24 0.36 -1.07 1.44 5.85 -0.47 0.73 115.31 122.40 3is7 h LEU 15 Ca 0.31 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.05 3is7 h LEU 15 Cb 0.46 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3is7 h LEU 15 CO -0.41 0.18 -0.07 1.23 -0.34 0.00 0.00 178.44 179.04 3is7 h GLY 16 N 0.51 0.63 0.98 3.75 0.00 -0.09 -0.40 103.07 108.45 3is7 h GLY 16 Ca 0.37 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3is7 h GLY 16 CO -0.33 0.38 -0.23 3.43 0.00 0.00 0.00 176.54 179.79 3is7 h ASN 17 N 0.54 0.77 -0.85 0.19 2.35 0.22 -2.85 115.58 115.94 3is7 h ASN 17 Ca 0.11 -0.44 0.03 0.00 -0.55 0.00 0.00 56.30 55.45 3is7 h ASN 17 Cb 0.45 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3is7 h ASN 17 CO 0.02 1.04 0.55 -0.33 -1.65 0.00 0.00 177.43 177.06 3is7 h GLU 18 N 0.50 1.05 -0.32 0.81 4.39 -0.26 -1.70 114.58 119.04 3is7 h GLU 18 Ca 0.06 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3is7 h GLU 18 Cb 0.79 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3is7 h GLU 18 CO 0.06 0.69 0.05 -0.07 -1.16 0.00 0.00 179.01 178.58 3is7 h LEU 19 N 1.08 0.44 -0.24 1.33 3.38 -0.95 -0.21 115.31 120.14 3is7 h LEU 19 Ca 0.34 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 3is7 h LEU 19 Cb -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3is7 h LEU 19 CO -0.11 0.47 -0.33 0.40 0.09 0.00 0.00 178.44 178.96 3is7 h ILE 20 N 0.46 1.31 -0.65 1.22 2.04 -1.26 -3.19 117.51 117.44 3is7 h ILE 20 Ca 0.11 -1.52 -0.09 0.00 1.00 0.00 0.00 64.86 64.36 3is7 h ILE 20 Cb 0.23 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3is7 h ILE 20 CO 0.00 0.48 0.07 0.00 0.00 0.00 0.00 178.15 178.70 3is7 h ALA 21 N 0.65 0.87 -0.03 1.87 0.00 -0.64 -0.39 119.26 121.61 3is7 h ALA 21 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3is7 h ALA 21 Cb 0.91 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3is7 h ALA 21 CO 0.08 0.67 -0.22 0.82 0.00 0.00 0.00 179.25 180.59 3is7 h ILE 22 N 1.02 0.47 -0.46 0.00 2.04 -1.15 0.21 117.51 119.64 3is7 h ILE 22 Ca 0.19 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.95 3is7 h ILE 22 Cb 0.49 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3is7 h ILE 22 CO 0.02 0.00 -0.14 0.78 0.00 0.00 0.00 178.15 178.81 3is7 h ASN 23 N -0.34 0.87 -0.10 1.72 4.21 -1.51 -1.30 115.58 119.13 3is7 h ASN 23 Ca 0.07 -0.28 -0.02 0.00 1.21 0.00 0.00 56.30 57.28 3is7 h ASN 23 Cb 0.43 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3is7 h ASN 23 CO -0.22 1.01 -0.02 -0.61 -1.29 0.00 0.00 177.43 176.30 3is7 h GLN 24 N 0.78 0.18 -0.34 0.81 4.15 -0.73 -0.96 115.11 119.01 3is7 h GLN 24 Ca 0.12 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 3is7 h GLN 24 Cb 0.66 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3is7 h GLN 24 CO 0.05 0.48 -0.27 1.88 -1.93 0.00 0.00 178.83 179.04 3is7 h TYR 25 N -0.13 0.79 -0.49 3.99 0.05 -0.56 -1.01 116.97 119.60 3is7 h TYR 25 Ca 0.03 -0.19 -0.12 0.00 0.05 0.00 0.00 58.73 58.50 3is7 h TYR 25 Cb 0.41 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3is7 h TYR 25 CO 0.05 0.89 -0.16 0.35 -1.05 0.00 0.00 178.16 178.24 3is7 h PHE 26 N 0.60 1.11 -0.36 4.88 3.04 -1.14 0.50 116.94 125.56 3is7 h PHE 26 Ca 0.08 -0.25 -0.15 0.00 3.98 0.00 0.00 57.97 61.63 3is7 h PHE 26 Cb 0.77 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 3is7 h PHE 26 CO 0.04 1.07 -0.34 1.25 -2.02 0.00 0.00 178.31 178.30 3is7 h LEU 27 N 0.84 0.93 -0.32 0.59 5.85 -1.09 -1.40 115.31 120.72 3is7 h LEU 27 Ca 0.12 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3is7 h LEU 27 Cb 0.73 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3is7 h LEU 27 CO 0.06 1.20 0.18 0.45 -0.34 0.00 0.00 178.44 179.99 3is7 h HIS 28 N 0.68 0.34 -0.26 1.25 3.86 -0.96 -0.54 115.15 119.52 3is7 h HIS 28 Ca 0.06 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3is7 h HIS 28 Cb 0.93 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.24 3is7 h HIS 28 CO 0.07 0.20 -0.09 1.03 0.86 0.00 0.00 177.93 179.99 3is7 h SER 29 N 0.37 -0.32 0.67 2.45 0.87 -0.82 -0.60 113.55 116.16 3is7 h SER 29 Ca 0.13 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3is7 h SER 29 Cb 0.01 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3is7 h SER 29 CO -0.07 -0.12 -0.27 0.03 -0.53 0.00 0.00 176.83 175.87 3is7 h ARG 30 N -0.04 0.00 -0.31 2.24 -0.00 -1.02 -1.62 114.38 113.62 3is7 h ARG 30 Ca 0.13 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.56 3is7 h ARG 30 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 3is7 h ARG 30 CO -0.29 0.27 -0.01 0.52 0.00 0.00 0.00 179.97 180.46 3is7 h MET 31 N 0.00 0.56 -0.62 0.04 2.86 -0.64 -1.28 114.93 115.85 3is7 h MET 31 Ca -0.00 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3is7 h MET 31 Cb 0.68 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3is7 h MET 31 CO 0.04 0.70 0.29 -1.49 1.06 0.00 0.00 176.91 177.51 3is7 h TRP 32 N 0.35 0.90 -0.24 -0.22 6.55 -0.87 -1.57 115.95 120.85 3is7 h TRP 32 Ca 0.09 -0.05 0.04 0.00 0.95 0.00 0.00 58.89 59.92 3is7 h TRP 32 Cb 0.46 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.44 3is7 h TRP 32 CO 0.04 0.69 -0.00 -0.91 -1.05 0.00 0.00 178.44 177.20 3is7 h ASN 33 N 0.85 -0.10 -0.13 -3.49 -0.26 -1.27 0.14 115.58 111.31 3is7 h ASN 33 Ca 0.21 0.05 0.04 0.00 -0.56 0.00 0.00 56.30 56.04 3is7 h ASN 33 Cb 0.13 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3is7 h ASN 33 CO -0.03 -0.02 0.11 -0.78 -1.06 0.00 0.00 177.43 175.65 3is7 h ASP 34 N 0.07 0.00 0.12 5.81 3.58 -0.98 -1.23 116.42 123.79 3is7 h ASP 34 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3is7 h ASP 34 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3is7 h ASP 34 CO -0.20 0.00 -0.11 0.79 -2.88 0.00 0.00 179.24 176.85 3is7 n TRP 35 N -4.23 0.00 -1.02 0.28 8.01 -0.61 -4.90 117.44 114.96 3is7 n TRP 35 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.19 3is7 n TRP 35 Cb 0.23 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.31 29.46 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 1.24 0.48 3.13 6.99 0.00 -0.47 -4.97 105.19 111.59 3is7 n GLY 36 Ca 0.16 -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 -0.07 6.06 0.12 0.99 4.77 0.44 -4.43 117.00 124.88 3is7 n LEU 37 Ca -0.01 -4.88 -0.01 0.00 -0.03 0.00 0.00 56.01 51.08 3is7 n LEU 37 Cb 0.04 -1.44 0.11 0.00 -2.33 0.00 0.00 43.42 39.80 3is7 n LEU 37 CO 0.01 1.35 0.43 0.11 -1.33 0.00 0.00 177.39 177.96 3is7 h LYS 38 N 6.11 0.00 -0.56 3.23 1.57 -0.95 -1.43 116.57 124.55 3is7 h LYS 38 Ca 0.27 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3is7 h LYS 38 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3is7 h LYS 38 CO 1.33 0.67 -0.03 -0.09 -0.57 0.00 0.00 179.45 180.75 3is7 h ARG 39 N 0.00 0.99 -0.32 3.15 2.43 -1.46 -0.32 114.38 118.85 3is7 h ARG 39 Ca -0.01 -0.32 -0.16 0.00 -0.81 0.00 0.00 59.98 58.69 3is7 h ARG 39 Cb 1.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3is7 h ARG 39 CO 0.09 0.99 -0.42 -0.07 -1.51 0.00 0.00 179.97 179.05 3is7 h LEU 40 N 0.90 0.87 -0.33 3.80 3.38 -1.54 -1.40 115.31 120.99 3is7 h LEU 40 Ca 0.16 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3is7 h LEU 40 Cb 0.57 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3is7 h LEU 40 CO 0.03 1.17 0.04 1.23 0.09 0.00 0.00 178.44 181.01 3is7 h GLY 41 N 0.86 0.36 0.69 0.83 0.00 -1.17 0.24 103.07 104.89 3is7 h GLY 41 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3is7 h GLY 41 CO 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 176.54 176.56 3is7 h ALA 42 N 1.26 0.12 -0.61 3.60 0.00 -0.89 -1.20 119.26 121.54 3is7 h ALA 42 Ca 0.16 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3is7 h ALA 42 Cb 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3is7 h ALA 42 CO -0.23 -0.13 0.34 1.25 0.00 0.00 0.00 179.25 180.49 3is7 h HIS 43 N -0.17 0.63 0.00 0.00 6.17 -1.14 -2.26 115.15 118.37 3is7 h HIS 43 Ca 0.02 0.02 -0.14 0.00 0.71 0.00 0.00 60.37 60.98 3is7 h HIS 43 Cb 0.46 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.18 3is7 h HIS 43 CO 0.06 0.33 -0.68 1.49 0.71 0.00 0.00 177.93 179.84 3is7 h GLU 44 N 0.65 0.00 -0.44 5.26 4.57 -0.87 -1.58 114.58 122.19 3is7 h GLU 44 Ca 0.26 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.48 3is7 h GLU 44 Cb 0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3is7 h GLU 44 CO -0.15 0.68 0.21 -0.92 -1.18 0.00 0.00 179.01 177.64 3is7 h TYR 45 N 0.00 0.38 -0.45 0.92 3.20 -0.93 -1.43 116.97 118.66 3is7 h TYR 45 Ca -0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3is7 h TYR 45 Cb 1.20 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3is7 h TYR 45 CO 0.00 0.18 -0.02 0.45 -1.64 0.00 0.00 178.16 177.13 3is7 h HIS 46 N 0.41 0.79 -0.77 -3.82 3.86 -0.82 -0.59 115.15 114.21 3is7 h HIS 46 Ca 0.19 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3is7 h HIS 46 Cb 0.12 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 3is7 h HIS 46 CO -0.11 0.75 0.50 0.93 0.86 0.00 0.00 177.93 180.86 3is7 h GLU 47 N 0.69 0.96 -0.19 2.45 4.39 -1.04 -0.67 114.58 121.18 3is7 h GLU 47 Ca 0.13 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3is7 h GLU 47 Cb 0.46 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3is7 h GLU 47 CO 0.02 0.63 0.10 1.03 -1.16 0.00 0.00 179.01 179.64 3is7 h SER 48 N 0.99 0.24 -0.69 1.42 0.87 -0.39 -1.82 113.55 114.17 3is7 h SER 48 Ca 0.30 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3is7 h SER 48 Cb -0.04 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 3is7 h SER 48 CO -0.09 0.26 0.40 0.40 -0.53 0.00 0.00 176.83 177.27 3is7 h ILE 49 N 0.20 1.02 -0.76 2.23 1.08 -0.92 -0.00 117.51 120.35 3is7 h ILE 49 Ca 0.07 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 3is7 h ILE 49 Cb 0.08 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 3is7 h ILE 49 CO -0.01 0.14 0.51 0.44 -0.69 0.00 0.00 178.15 178.53 3is7 h ASP 50 N 0.76 0.85 0.35 1.72 5.19 -0.67 -1.42 116.42 123.20 3is7 h ASP 50 Ca 0.29 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.55 3is7 h ASP 50 Cb 0.12 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 3is7 h ASP 50 CO -0.15 0.61 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.68 3is7 h GLU 51 N 1.00 0.23 -0.71 3.56 4.39 -0.36 -2.31 114.58 120.40 3is7 h GLU 51 Ca 0.29 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.88 3is7 h GLU 51 Cb -0.07 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3is7 h GLU 51 CO -0.07 0.74 0.43 0.52 -1.16 0.00 0.00 179.01 179.47 3is7 h MET 52 N 0.18 0.80 -0.30 2.33 2.86 -0.09 -1.39 114.93 119.32 3is7 h MET 52 Ca -0.00 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 3is7 h MET 52 Cb 1.05 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3is7 h MET 52 CO 0.09 0.53 -0.28 0.87 1.06 0.00 0.00 176.91 179.17 3is7 h LYS 53 N 0.83 0.62 -0.75 1.72 1.57 -0.96 -2.09 116.57 117.51 3is7 h LYS 53 Ca 0.29 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3is7 h LYS 53 Cb 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3is7 h LYS 53 CO -0.13 0.84 0.28 0.45 -0.57 0.00 0.00 179.45 180.32 3is7 h HIS 54 N 0.54 1.16 -0.45 -1.35 3.86 -1.04 -2.51 115.15 115.36 3is7 h HIS 54 Ca 0.07 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3is7 h HIS 54 Cb 0.76 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3is7 h HIS 54 CO 0.03 0.90 0.17 0.00 0.86 0.00 0.00 177.93 179.89 3is7 h ALA 55 N 1.14 0.58 -0.49 2.45 0.00 -0.92 -0.84 119.26 121.18 3is7 h ALA 55 Ca 0.25 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3is7 h ALA 55 Cb 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 3is7 h ALA 55 CO -0.02 0.20 -0.03 0.22 0.00 0.00 0.00 179.25 179.62 3is7 h ASP 56 N 0.58 -0.28 -0.72 0.00 3.58 -1.33 0.27 116.42 118.52 3is7 h ASP 56 Ca 0.15 0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 3is7 h ASP 56 Cb 0.21 0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 3is7 h ASP 56 CO -0.01 -0.10 0.21 0.11 -2.88 0.00 0.00 179.24 176.57 3is7 h LYS 57 N 0.08 1.12 -0.56 0.28 1.79 -0.94 -0.66 116.57 117.67 3is7 h LYS 57 Ca 0.25 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3is7 h LYS 57 Cb 0.38 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3is7 h LYS 57 CO -0.44 0.96 0.29 -0.07 -1.08 0.00 0.00 179.45 179.11 3is7 h LEU 58 N 1.06 0.72 -0.69 2.94 3.38 -0.77 -1.64 115.31 120.31 3is7 h LEU 58 Ca 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3is7 h LEU 58 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3is7 h LEU 58 CO -0.01 0.63 0.32 0.40 0.09 0.00 0.00 178.44 179.88 3is7 h ILE 59 N 0.76 1.23 -0.77 1.22 2.04 -0.08 -1.00 117.51 120.92 3is7 h ILE 59 Ca 0.20 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3is7 h ILE 59 Cb 0.09 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3is7 h ILE 59 CO -0.03 0.28 0.26 -0.33 0.00 0.00 0.00 178.15 178.33 3is7 h GLU 60 N 0.97 1.18 -0.21 2.37 5.08 -0.93 -2.11 114.58 120.92 3is7 h GLU 60 Ca 0.24 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3is7 h GLU 60 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3is7 h GLU 60 CO -0.03 0.98 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.80 3is7 h ARG 61 N 1.13 0.42 -0.46 2.33 9.65 -0.85 -2.25 114.38 124.36 3is7 h ARG 61 Ca 0.25 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 3is7 h ARG 61 Cb 0.28 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 3is7 h ARG 61 CO -0.01 0.69 0.26 0.82 2.80 0.00 0.00 179.97 184.53 3is7 h ILE 62 N 0.13 1.03 -0.86 1.20 2.04 -1.09 -0.99 117.51 118.98 3is7 h ILE 62 Ca 0.05 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3is7 h ILE 62 Cb 0.55 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3is7 h ILE 62 CO 0.03 0.10 0.56 -0.07 0.00 0.00 0.00 178.15 178.76 3is7 h LEU 63 N 0.53 0.94 -0.57 1.44 -0.00 -1.37 -0.10 115.31 116.19 3is7 h LEU 63 Ca 0.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3is7 h LEU 63 Cb 0.03 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.44 3is7 h LEU 63 CO -0.09 0.66 0.34 0.15 -0.00 0.00 0.00 178.44 179.50 3is7 h PHE 64 N 1.11 0.75 0.00 1.13 3.57 -0.72 -0.69 116.94 122.09 3is7 h PHE 64 Ca 0.33 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3is7 h PHE 64 Cb -0.05 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.44 3is7 h PHE 64 CO -0.02 0.51 0.00 1.28 -2.23 0.00 0.00 178.31 177.86 3is7 n LEU 65 N -4.64 0.00 -0.38 0.59 4.77 -0.45 -4.87 117.00 112.01 3is7 n LEU 65 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 3is7 n LEU 65 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3is7 n LEU 65 CO 0.36 0.00 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.75 3is7 n GLU 66 N -0.59 -0.83 -1.60 3.23 4.71 -0.27 -3.46 120.64 121.83 3is7 n GLU 66 Ca 0.03 0.54 -0.14 0.00 -0.01 0.00 0.00 57.16 57.59 3is7 n GLU 66 Cb 0.01 -4.36 0.08 0.00 -1.01 0.00 0.00 31.44 26.16 3is7 n GLU 66 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3is7 n GLY 67 N -1.42 0.32 3.12 0.62 0.00 -0.10 -4.99 105.19 102.75 3is7 n GLY 67 Ca -0.05 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3is7 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3is7 s LEU 68 N 0.00 3.73 0.25 0.99 1.43 -1.26 -4.28 118.68 119.54 3is7 s LEU 68 Ca 0.39 -1.37 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 3is7 s LEU 68 Cb -0.02 -1.64 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 3is7 s LEU 68 CO 0.26 -0.23 1.65 -2.84 0.23 0.00 0.00 176.35 175.41 3is7 s PRO 69 N 1.17 4.12 -0.54 1.29 0.02 -1.26 -4.96 135.00 134.84 3is7 s PRO 69 Ca -0.06 2.59 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 3is7 s PRO 69 Cb -0.20 -3.05 0.11 0.00 0.02 0.00 0.00 34.50 31.38 3is7 s PRO 69 CO -0.03 -0.69 0.55 1.21 -0.33 0.00 0.00 177.00 177.72 3is7 s ASN 70 N 0.81 6.18 0.00 2.53 3.84 -1.26 -4.86 114.94 122.18 3is7 s ASN 70 Ca 0.68 -1.53 0.20 0.00 0.21 0.00 0.00 52.86 52.43 3is7 s ASN 70 Cb -0.49 -2.24 0.39 0.00 -0.55 0.00 0.00 41.25 38.36 3is7 s ASN 70 CO 0.41 -0.90 1.33 0.18 -2.79 0.00 0.00 177.10 175.33 3is7 n LEU 71 N 5.65 3.28 0.01 3.21 4.32 -1.26 -4.57 117.00 127.64 3is7 n LEU 71 Ca -0.12 -1.55 -0.13 0.00 -0.02 0.00 0.00 56.01 54.20 3is7 n LEU 71 Cb 0.42 -0.24 -0.14 0.00 -1.62 0.00 0.00 43.42 41.84 3is7 n LEU 71 CO 0.54 0.72 -0.45 -0.61 -1.22 0.00 0.00 177.39 176.37 3is7 h GLN 72 N 3.92 0.11 -5.25 3.23 5.75 -2.02 -3.45 115.11 117.40 3is7 h GLN 72 Ca 0.00 -0.18 -0.63 0.00 -0.15 0.00 0.00 58.65 57.69 3is7 h GLN 72 Cb 0.90 0.07 -0.14 0.00 1.07 0.00 0.00 27.48 29.38 3is7 h GLN 72 CO 0.00 0.83 -0.10 -0.51 -2.65 0.00 0.00 178.83 176.40 3is7 s ASP 73 N -6.54 6.34 -0.22 -0.69 1.01 -1.26 -5.03 116.67 110.28 3is7 s ASP 73 Ca -0.08 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.49 3is7 s ASP 73 Cb 0.08 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.79 3is7 s ASP 73 CO 0.82 -0.30 -0.15 -0.22 0.21 0.00 0.00 175.17 175.53 3is7 s LEU 74 N 2.25 2.78 0.00 1.23 2.96 -1.26 -4.90 118.68 121.74 3is7 s LEU 74 Ca 0.18 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 3is7 s LEU 74 Cb -0.16 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.00 3is7 s LEU 74 CO 0.10 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 3is7 n GLY 75 N 4.55 -1.93 3.66 7.98 0.00 -1.26 -4.96 105.19 113.23 3is7 n GLY 75 Ca -0.18 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.09 4.22 0.05 1.61 2.47 -1.26 -4.93 119.74 119.82 3is7 s LYS 76 Ca 0.00 1.39 -0.31 0.00 -1.56 0.00 0.00 55.97 55.49 3is7 s LYS 76 Cb 0.00 -3.68 -0.06 0.00 -1.46 0.00 0.00 37.83 32.63 3is7 s LYS 76 CO 0.00 -0.69 1.21 -0.51 0.16 0.00 0.00 175.35 175.53 3is7 s LEU 77 N 3.34 4.36 -0.94 5.43 1.02 -1.26 -4.99 118.68 125.65 3is7 s LEU 77 Ca 0.47 2.02 -0.16 0.00 0.02 0.00 0.00 54.13 56.47 3is7 s LEU 77 Cb -0.16 -3.58 0.17 0.00 0.02 0.00 0.00 46.19 42.64 3is7 s LEU 77 CO 0.09 -0.49 1.05 -0.76 0.02 0.00 0.00 176.35 176.25 3is7 s LEU 78 N 1.18 5.66 -0.26 1.79 1.43 -1.26 -5.03 118.68 122.19 3is7 s LEU 78 Ca 0.59 -2.43 -0.16 0.00 -1.03 0.00 0.00 54.13 51.10 3is7 s LEU 78 Cb -0.30 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3is7 s LEU 78 CO 0.29 -0.83 0.43 -0.63 0.23 0.00 0.00 176.35 175.83 3is7 s ILE 79 N 1.56 5.14 0.82 -0.59 -1.09 -1.26 -4.66 121.20 121.12 3is7 s ILE 79 Ca 0.29 0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 59.32 3is7 s ILE 79 Cb -0.06 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 3is7 s ILE 79 CO -0.08 0.14 1.14 -0.83 -1.23 0.00 0.00 174.94 174.08 3is7 s GLY 80 N 1.55 1.75 -0.01 6.18 0.00 -1.26 -4.99 107.32 110.54 3is7 s GLY 80 Ca 0.18 -1.31 0.10 0.00 0.00 0.00 0.00 44.72 43.68 3is7 s GLY 80 CO 0.09 -0.69 0.33 1.18 0.00 0.00 0.00 173.10 174.01 3is7 n GLU 81 N -3.25 2.44 -4.04 2.90 1.02 -1.26 -4.81 120.64 113.63 3is7 n GLU 81 Ca 0.13 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 3is7 n GLU 81 Cb 0.60 -1.06 -0.04 0.00 -0.02 0.00 0.00 31.44 30.92 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 -2.39 0.55 0.12 1.62 2.20 -1.26 -5.03 114.94 110.75 3is7 s ASN 82 Ca 0.01 -1.31 -0.20 0.00 -0.94 0.00 0.00 52.86 50.41 3is7 s ASN 82 Cb 0.07 0.65 -0.06 0.00 -2.00 0.00 0.00 41.25 39.92 3is7 s ASN 82 CO 0.40 -1.29 1.73 0.74 -2.94 0.00 0.00 177.10 175.75 3is7 h THR 83 N 2.15 0.92 -0.90 0.54 2.02 -1.99 -0.97 112.91 114.68 3is7 h THR 83 Ca -0.28 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 66.88 3is7 h THR 83 Cb 1.24 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 3is7 h THR 83 CO 0.39 0.02 0.59 -0.61 0.37 0.00 0.00 175.52 176.27 3is7 h GLN 84 N 0.09 1.15 -0.24 6.66 4.15 -2.00 -2.17 115.11 122.74 3is7 h GLN 84 Ca 0.08 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 3is7 h GLN 84 Cb 0.07 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3is7 h GLN 84 CO -0.11 0.76 -0.47 0.93 -1.93 0.00 0.00 178.83 178.02 3is7 h GLU 85 N 1.19 0.63 -0.11 1.69 5.08 -1.87 -2.45 114.58 118.74 3is7 h GLU 85 Ca 0.34 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3is7 h GLU 85 Cb -0.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3is7 h GLU 85 CO -0.09 0.96 0.06 0.52 -1.00 0.00 0.00 179.01 179.47 3is7 h MET 86 N 0.50 0.15 -0.52 2.33 2.86 -0.79 0.64 114.93 120.11 3is7 h MET 86 Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3is7 h MET 86 Cb 1.00 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3is7 h MET 86 CO 0.09 0.16 0.28 -0.07 1.06 0.00 0.00 176.91 178.42 3is7 h LEU 87 N 0.10 0.65 -0.74 1.22 3.38 -1.40 0.41 115.31 118.94 3is7 h LEU 87 Ca 0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3is7 h LEU 87 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3is7 h LEU 87 CO -0.01 0.57 0.21 -0.61 0.09 0.00 0.00 178.44 178.69 3is7 h GLN 88 N 0.69 1.16 -0.28 1.13 5.75 -1.23 0.21 115.11 122.54 3is7 h GLN 88 Ca 0.18 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3is7 h GLN 88 Cb 0.06 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3is7 h GLN 88 CO -0.03 1.00 0.16 0.00 -2.65 0.00 0.00 178.83 177.31 3is7 h ASP 90 N 0.33 1.07 -0.16 0.00 3.32 -0.57 -1.75 116.42 118.66 3is7 h ASP 90 Ca 0.11 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3is7 h ASP 90 Cb -0.00 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3is7 h ASP 90 CO -0.05 0.72 -0.04 0.25 -1.72 0.00 0.00 179.24 178.40 3is7 h LEU 91 N 1.23 0.31 -0.95 1.55 5.85 0.07 -1.73 115.31 121.64 3is7 h LEU 91 Ca 0.40 -0.37 0.16 0.00 0.84 0.00 0.00 57.88 58.92 3is7 h LEU 91 Cb 0.04 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 40.89 3is7 h LEU 91 CO -0.13 0.61 0.56 0.78 -0.34 0.00 0.00 178.44 179.91 3is7 h ASN 92 N 0.01 0.73 -0.38 1.25 2.35 -0.88 -1.27 115.58 117.38 3is7 h ASN 92 Ca 0.04 0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 3is7 h ASN 92 Cb 0.47 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3is7 h ASN 92 CO 0.02 0.30 -0.24 0.25 -1.65 0.00 0.00 177.43 176.10 3is7 h LEU 93 N 0.76 0.92 -0.65 1.61 5.85 -1.06 -2.94 115.31 119.80 3is7 h LEU 93 Ca 0.53 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 3is7 h LEU 93 Cb 0.75 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3is7 h LEU 93 CO -0.36 1.11 -0.51 -0.33 -0.34 0.00 0.00 178.44 178.01 3is7 h GLU 94 N 0.77 0.43 -0.59 1.25 4.39 -0.45 -1.28 114.58 119.09 3is7 h GLU 94 Ca 0.10 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 3is7 h GLU 94 Cb 0.79 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 3is7 h GLU 94 CO 0.07 0.84 0.25 -0.07 -1.16 0.00 0.00 179.01 178.94 3is7 h LEU 95 N 0.34 0.81 -0.29 1.33 3.38 -1.26 -0.83 115.31 118.77 3is7 h LEU 95 Ca 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3is7 h LEU 95 Cb 1.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3is7 h LEU 95 CO 0.09 0.74 0.16 0.50 0.09 0.00 0.00 178.44 180.02 3is7 h LYS 96 N 0.82 0.41 -0.88 1.13 1.63 -1.41 -2.21 116.57 116.06 3is7 h LYS 96 Ca 0.20 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 3is7 h LYS 96 Cb 0.18 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 3is7 h LYS 96 CO -0.02 0.36 0.57 0.00 -3.45 0.00 0.00 179.45 176.91 3is7 h ALA 97 N 1.03 1.56 0.06 5.00 0.00 -1.03 -1.75 119.26 124.13 3is7 h ALA 97 Ca 0.10 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3is7 h ALA 97 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3is7 h ALA 97 CO -0.02 0.30 -1.07 0.00 0.00 0.00 0.00 179.25 178.46 3is7 h THR 98 N 0.97 1.52 -0.22 0.00 1.03 -1.04 -1.47 112.91 113.70 3is7 h THR 98 Ca 0.38 -2.94 -0.02 0.00 -0.01 0.00 0.00 66.41 63.82 3is7 h THR 98 Cb 0.24 2.75 -0.01 0.00 -1.07 0.00 0.00 68.15 70.06 3is7 h THR 98 CO -0.15 0.86 0.05 0.50 -0.01 0.00 0.00 175.52 176.77 3is7 h LYS 99 N 0.09 0.35 -0.58 0.00 3.64 -1.03 -2.32 116.57 116.73 3is7 h LYS 99 Ca -0.08 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.33 3is7 h LYS 99 Cb 1.77 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.52 3is7 h LYS 99 CO 0.17 0.47 0.40 -0.44 -2.27 0.00 0.00 179.45 177.77 3is7 h ASP 100 N 0.17 0.24 0.10 4.20 3.32 -1.19 -1.59 116.42 121.66 3is7 h ASP 100 Ca 0.07 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.87 3is7 h ASP 100 Cb 0.28 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 39.81 3is7 h ASP 100 CO 0.00 0.13 -1.07 -0.07 -1.72 0.00 0.00 179.24 176.51 3is7 h LEU 101 N 0.26 0.76 -0.75 1.55 4.07 -1.13 -2.07 115.31 118.01 3is7 h LEU 101 Ca 0.27 -0.83 -0.06 0.00 0.08 0.00 0.00 57.88 57.34 3is7 h LEU 101 Cb 0.73 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3is7 h LEU 101 CO -0.06 1.52 0.24 0.03 -1.08 0.00 0.00 178.44 179.09 3is7 h ARG 102 N 0.11 1.15 -0.35 1.13 3.08 -1.07 -0.39 114.38 118.05 3is7 h ARG 102 Ca -0.16 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3is7 h ARG 102 Cb 1.77 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 3is7 h ARG 102 CO 0.21 0.98 0.22 0.93 -1.07 0.00 0.00 179.97 181.24 3is7 h GLU 103 N 1.10 0.46 -0.99 0.04 5.08 -1.30 -1.87 114.58 117.11 3is7 h GLU 103 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3is7 h GLU 103 Cb 0.30 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3is7 h GLU 103 CO -0.01 0.32 0.64 0.00 -1.00 0.00 0.00 179.01 178.96 3is7 h ALA 104 N 1.11 1.26 -0.72 3.43 0.00 -1.19 -2.16 119.26 120.99 3is7 h ALA 104 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3is7 h ALA 104 Cb -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 3is7 h ALA 104 CO -0.03 0.67 0.27 0.82 0.00 0.00 0.00 179.25 180.98 3is7 h ILE 105 N 1.35 1.25 -0.37 0.00 2.04 -0.84 -0.62 117.51 120.32 3is7 h ILE 105 Ca 0.36 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3is7 h ILE 105 Cb -0.12 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3is7 h ILE 105 CO -0.07 0.33 0.17 0.58 0.00 0.00 0.00 178.15 179.15 3is7 h VAL 106 N 1.04 0.95 -0.20 1.67 2.07 -0.98 -1.20 116.25 119.59 3is7 h VAL 106 Ca 0.24 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3is7 h VAL 106 Cb 0.24 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3is7 h VAL 106 CO -0.02 0.06 0.04 -0.74 0.02 0.00 0.00 177.57 176.94 3is7 h HIS 107 N 0.34 0.35 -0.68 1.57 -0.00 -0.95 -2.47 115.15 113.32 3is7 h HIS 107 Ca 0.16 -0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.63 3is7 h HIS 107 Cb 0.10 -0.10 -0.12 0.00 -0.00 0.00 0.00 27.41 27.29 3is7 h HIS 107 CO -0.12 0.46 -0.11 0.00 -0.00 0.00 0.00 177.93 178.16 3is7 h GLU 109 N 0.04 1.01 -0.22 0.00 4.57 -0.90 -0.34 114.58 118.75 3is7 h GLU 109 Ca 0.34 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.28 3is7 h GLU 109 Cb 0.54 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3is7 h GLU 109 CO -0.66 0.67 -0.59 0.37 -1.18 0.00 0.00 179.01 177.62 3is7 h GLN 110 N 1.04 0.70 -0.62 1.92 4.15 -0.90 -2.74 115.11 118.67 3is7 h GLN 110 Ca 0.42 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3is7 h GLN 110 Cb 0.24 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3is7 h GLN 110 CO -0.20 1.09 0.00 1.33 -1.93 0.00 0.00 178.83 179.12 3is7 n VAL 111 N -3.97 1.06 -2.00 2.39 0.24 -0.72 -4.94 118.33 110.39 3is7 n VAL 111 Ca -0.04 -0.87 -0.14 0.00 -2.04 0.00 0.00 64.34 61.25 3is7 n VAL 111 Cb 0.64 0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.14 -0.46 -2.63 6.34 8.25 -0.50 -4.94 115.22 122.43 3is7 n HIS 112 Ca 0.21 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.23 3is7 n HIS 112 Cb 0.60 -2.85 0.00 0.00 1.12 0.00 0.00 29.99 28.86 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 -0.56 5.07 0.15 0.41 -0.08 -0.26 -4.82 116.55 116.47 3is7 n ASP 113 Ca -0.16 -3.01 0.02 0.00 -1.51 0.00 0.00 54.79 50.13 3is7 n ASP 113 Cb 0.58 -1.56 0.20 0.00 2.34 0.00 0.00 41.12 42.67 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 6.62 0.00 -0.41 -0.67 0.05 -1.92 -2.08 116.97 118.56 3is7 h TYR 114 Ca 0.37 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 59.00 3is7 h TYR 114 Cb 0.77 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 3is7 h TYR 114 CO 1.21 0.53 -0.35 0.28 -1.05 0.00 0.00 178.16 178.77 3is7 h VAL 115 N 0.00 1.27 -0.61 -2.88 2.07 -1.97 -0.83 116.25 113.30 3is7 h VAL 115 Ca -0.01 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 3is7 h VAL 115 Cb 1.11 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3is7 h VAL 115 CO 0.07 0.51 0.20 0.28 0.02 0.00 0.00 177.57 178.66 3is7 h SER 116 N 0.79 0.88 -0.30 0.57 0.02 -1.93 -1.97 113.55 111.61 3is7 h SER 116 Ca 0.07 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3is7 h SER 116 Cb 0.94 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 3is7 h SER 116 CO 0.09 0.84 0.10 -0.09 -1.14 0.00 0.00 176.83 176.63 3is7 h ARG 117 N 0.86 0.22 -0.51 3.45 2.43 -1.30 -2.19 114.38 117.35 3is7 h ARG 117 Ca 0.20 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3is7 h ARG 117 Cb 0.27 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3is7 h ARG 117 CO -0.01 0.15 0.30 0.22 -1.51 0.00 0.00 179.97 179.12 3is7 h ASP 118 N 0.23 0.48 -0.37 -3.80 3.58 -0.49 -1.13 116.42 114.92 3is7 h ASP 118 Ca 0.14 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.67 3is7 h ASP 118 Cb 0.11 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 40.98 3is7 h ASP 118 CO -0.15 0.34 -0.19 0.25 -2.88 0.00 0.00 179.24 176.61 3is7 h LEU 119 N 0.60 -0.65 -1.06 2.28 6.46 -1.20 -2.16 115.31 119.58 3is7 h LEU 119 Ca 0.20 0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 58.02 3is7 h LEU 119 Cb 0.02 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3is7 h LEU 119 CO -0.09 -0.22 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.09 3is7 h LEU 120 N -0.13 0.24 -0.82 2.25 3.38 -0.98 -1.79 115.31 117.46 3is7 h LEU 120 Ca 0.19 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3is7 h LEU 120 Cb 0.41 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3is7 h LEU 120 CO -0.45 0.57 0.08 0.50 0.09 0.00 0.00 178.44 179.22 3is7 h LYS 121 N 0.20 0.97 -0.40 1.13 3.11 -0.73 0.11 116.57 120.96 3is7 h LYS 121 Ca 0.03 -0.25 -0.10 0.00 -2.81 0.00 0.00 60.65 57.52 3is7 h LYS 121 Cb 0.70 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 3is7 h LYS 121 CO 0.05 0.90 -0.15 -0.44 -2.81 0.00 0.00 179.45 177.01 3is7 h ASP 122 N 0.91 0.82 -0.80 4.20 3.32 -0.77 -0.54 116.42 123.55 3is7 h ASP 122 Ca 0.18 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3is7 h ASP 122 Cb 0.42 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3is7 h ASP 122 CO 0.01 1.02 0.53 0.40 -1.72 0.00 0.00 179.24 179.48 3is7 h ILE 123 N 0.61 1.20 -0.82 0.35 2.04 -1.05 -2.18 117.51 117.66 3is7 h ILE 123 Ca 0.09 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3is7 h ILE 123 Cb 0.69 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3is7 h ILE 123 CO 0.05 0.20 0.37 0.25 0.00 0.00 0.00 178.15 179.01 3is7 h LEU 124 N 1.08 1.10 -0.65 1.44 5.85 -0.28 0.10 115.31 123.95 3is7 h LEU 124 Ca 0.29 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3is7 h LEU 124 Cb -0.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.61 3is7 h LEU 124 CO -0.06 0.95 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.57 3is7 h GLU 125 N 1.18 0.69 -0.33 1.25 4.81 -0.90 0.36 114.58 121.64 3is7 h GLU 125 Ca 0.28 -0.32 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 3is7 h GLU 125 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3is7 h GLU 125 CO -0.03 0.92 -0.33 1.03 -0.73 0.00 0.00 179.01 179.87 3is7 h SER 126 N 0.58 0.75 -0.44 1.04 0.87 -0.80 -1.91 113.55 113.64 3is7 h SER 126 Ca 0.06 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 3is7 h SER 126 Cb 0.85 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3is7 h SER 126 CO 0.07 1.02 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.99 3is7 h GLU 127 N 0.61 0.89 -0.23 2.24 4.39 -0.34 -2.14 114.58 119.99 3is7 h GLU 127 Ca 0.06 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 3is7 h GLU 127 Cb 0.86 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3is7 h GLU 127 CO 0.07 0.93 -0.00 0.93 -1.16 0.00 0.00 179.01 179.78 3is7 h GLU 128 N 0.80 0.33 -0.39 2.33 5.08 -0.81 -1.38 114.58 120.56 3is7 h GLU 128 Ca 0.14 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3is7 h GLU 128 Cb 0.59 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3is7 h GLU 128 CO 0.04 0.37 -0.02 0.93 -1.00 0.00 0.00 179.01 179.32 3is7 h GLU 129 N 0.33 0.69 -0.79 2.33 5.08 -1.10 0.13 114.58 121.26 3is7 h GLU 129 Ca 0.08 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3is7 h GLU 129 Cb 0.23 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3is7 h GLU 129 CO 0.01 0.80 0.45 1.25 -1.00 0.00 0.00 179.01 180.52 3is7 h HIS 130 N 0.51 1.06 -0.71 4.33 2.76 -1.00 -1.53 115.15 120.58 3is7 h HIS 130 Ca 0.11 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3is7 h HIS 130 Cb 0.50 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 3is7 h HIS 130 CO 0.04 0.73 0.37 0.82 -1.30 0.00 0.00 177.93 178.59 3is7 h ILE 131 N 1.10 1.22 -0.19 6.26 2.04 -0.87 -0.17 117.51 126.90 3is7 h ILE 131 Ca 0.28 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3is7 h ILE 131 Cb 0.00 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3is7 h ILE 131 CO -0.05 0.25 0.05 -0.78 0.00 0.00 0.00 178.15 177.62 3is7 h ASP 132 N 0.98 0.04 -0.34 1.72 3.58 -0.52 0.12 116.42 122.00 3is7 h ASP 132 Ca 0.25 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.76 3is7 h ASP 132 Cb 0.06 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 3is7 h ASP 132 CO -0.04 0.05 0.10 0.22 -2.88 0.00 0.00 179.24 176.69 3is7 h TYR 133 N 0.13 0.18 0.14 0.28 3.20 -0.94 -1.70 116.97 118.27 3is7 h TYR 133 Ca 0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3is7 h TYR 133 Cb 0.07 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3is7 h TYR 133 CO -0.13 0.07 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.32 3is7 h LEU 134 N 0.24 -0.16 -1.32 2.82 4.07 -0.58 -0.01 115.31 120.36 3is7 h LEU 134 Ca 0.16 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.98 3is7 h LEU 134 Cb 0.14 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3is7 h LEU 134 CO -0.17 -0.02 -0.10 -0.33 -1.08 0.00 0.00 178.44 176.74 3is7 h GLU 135 N -0.29 0.34 -0.60 1.13 5.08 -0.78 -2.44 114.58 117.02 3is7 h GLU 135 Ca -0.02 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3is7 h GLU 135 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3is7 h GLU 135 CO 0.03 0.45 0.08 1.15 -1.00 0.00 0.00 179.01 179.72 3is7 h THR 136 N 0.32 1.26 -0.52 1.13 2.02 -0.86 -1.34 112.91 114.93 3is7 h THR 136 Ca 0.07 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 3is7 h THR 136 Cb 0.38 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3is7 h THR 136 CO 0.02 0.38 -0.02 1.56 0.37 0.00 0.00 175.52 177.83 3is7 h GLN 137 N 0.91 0.93 -0.47 6.66 1.08 -0.56 -0.45 115.11 123.21 3is7 h GLN 137 Ca 0.18 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 3is7 h GLN 137 Cb 0.45 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3is7 h GLN 137 CO 0.02 0.96 0.03 -0.07 -0.95 0.00 0.00 178.83 178.82 3is7 h LEU 138 N 0.80 0.73 -0.34 1.46 -0.00 -1.41 -0.83 115.31 115.73 3is7 h LEU 138 Ca 0.15 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3is7 h LEU 138 Cb 0.55 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 3is7 h LEU 138 CO 0.03 0.78 0.22 1.23 -0.00 0.00 0.00 178.44 180.69 3is7 h GLY 139 N 0.96 0.48 1.47 0.83 0.00 -0.98 -3.01 103.07 102.83 3is7 h GLY 139 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3is7 h GLY 139 CO 0.01 0.19 0.18 1.41 0.00 0.00 0.00 176.54 178.33 3is7 h LEU 140 N 0.45 0.62 -1.15 3.11 3.38 -0.61 -1.37 115.31 119.73 3is7 h LEU 140 Ca 0.12 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3is7 h LEU 140 Cb -0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3is7 h LEU 140 CO -0.02 0.56 0.58 0.40 0.09 0.00 0.00 178.44 180.05 3is7 h ILE 141 N 0.67 1.11 -0.20 1.22 2.04 -1.05 0.12 117.51 121.42 3is7 h ILE 141 Ca 0.16 -0.36 -0.18 0.00 1.00 0.00 0.00 64.86 65.48 3is7 h ILE 141 Cb 0.15 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3is7 h ILE 141 CO -0.01 0.19 -0.61 1.56 0.00 0.00 0.00 178.15 179.28 3is7 h GLN 142 N 1.06 0.68 0.10 2.37 1.08 -1.24 -2.28 115.11 116.88 3is7 h GLN 142 Ca 0.37 -0.47 -0.29 0.00 -1.45 0.00 0.00 58.65 56.81 3is7 h GLN 142 Cb 0.11 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3is7 h GLN 142 CO -0.12 1.09 -1.46 0.87 -0.95 0.00 0.00 178.83 178.26 3is7 h LYS 143 N 0.51 0.22 -0.01 1.46 1.57 -0.57 -3.36 116.57 116.39 3is7 h LYS 143 Ca -0.01 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3is7 h LYS 143 Cb 1.20 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3is7 h LYS 143 CO 0.12 1.08 -0.55 1.33 -0.57 0.00 0.00 179.45 180.87 3is7 n VAL 144 N -3.43 0.00 0.00 0.50 0.24 0.36 -5.09 118.33 110.91 3is7 n VAL 144 Ca -0.14 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3is7 n VAL 144 Cb 1.03 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 34.51 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 1.28 -1.69 0.17 7.63 0.00 -0.86 -4.40 105.19 107.32 3is7 n GLY 145 Ca 0.05 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.31 -0.09 0.99 5.85 -1.89 -1.78 115.31 118.07 3is7 h LEU 146 Ca 0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3is7 h LEU 146 Cb 0.00 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3is7 h LEU 146 CO 0.00 -0.20 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.31 3is7 h GLU 147 N -0.32 -0.33 -0.48 1.25 5.08 -1.93 0.10 114.58 117.95 3is7 h GLU 147 Ca -0.02 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3is7 h GLU 147 Cb 0.27 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3is7 h GLU 147 CO 0.02 -0.22 0.18 -0.91 -1.00 0.00 0.00 179.01 177.08 3is7 h ASN 148 N -0.34 0.20 -0.38 1.42 4.21 -1.76 0.69 115.58 119.62 3is7 h ASN 148 Ca 0.09 0.05 0.08 0.00 1.21 0.00 0.00 56.30 57.73 3is7 h ASN 148 Cb 0.47 0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.63 3is7 h ASN 148 CO -0.28 0.14 -0.12 0.22 -1.29 0.00 0.00 177.43 176.10 3is7 h TYR 149 N 0.36 -0.26 -0.54 1.19 3.20 -0.85 -0.97 116.97 119.11 3is7 h TYR 149 Ca 0.23 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 3is7 h TYR 149 Cb 0.22 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3is7 h TYR 149 CO -0.15 -0.19 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.00 3is7 h LEU 150 N -0.03 1.03 -0.71 2.82 3.38 -0.78 -2.90 115.31 118.11 3is7 h LEU 150 Ca 0.18 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3is7 h LEU 150 Cb 0.31 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3is7 h LEU 150 CO -0.40 1.15 0.37 -0.61 0.09 0.00 0.00 178.44 179.03 3is7 h GLN 151 N 0.90 0.62 0.00 1.13 4.15 -0.32 -1.41 115.11 120.19 3is7 h GLN 151 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3is7 h GLN 151 Cb 0.69 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3is7 h GLN 151 CO 0.05 0.41 0.00 0.43 -1.93 0.00 0.00 178.83 177.79 3is7 n SER 152 N -4.83 0.00 -0.22 -0.69 7.64 -0.42 -2.51 113.62 112.58 3is7 n SER 152 Ca 0.11 0.13 0.04 0.00 1.01 0.00 0.00 58.87 60.16 3is7 n SER 152 Cb 0.25 -0.33 0.08 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.33 0.18 -0.00 1.43 8.25 -0.55 -4.67 115.22 118.52 3is7 n HIS 153 Ca 0.08 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.76 3is7 n HIS 153 Cb 0.16 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 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 0.56 -0.03 -5.71 -0.41 2.07 -1.29 -1.56 114.93 108.56 3is7 h MET 154 Ca 0.00 0.00 -0.67 0.00 -2.07 0.00 0.00 59.70 56.97 3is7 h MET 154 Cb 0.74 0.01 -0.07 0.00 -1.87 0.00 0.00 31.60 30.40 3is7 h MET 154 CO 0.02 0.45 -0.50 -1.01 1.07 0.00 0.00 176.91 176.94 3is7 s HIS 155 N -4.25 3.54 -2.00 -0.22 3.76 -1.26 -2.28 115.29 112.58 3is7 s HIS 155 Ca -0.16 0.46 0.21 0.00 -0.15 0.00 0.00 55.06 55.42 3is7 s HIS 155 Cb 0.02 -1.90 1.25 0.00 1.11 0.00 0.00 32.58 33.05 3is7 s HIS 155 CO 0.66 0.69 1.63 0.39 -0.85 0.00 0.00 174.74 177.26