#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is7 n ASP 4 N 0.00 2.10 0.08 1.61 2.03 -1.26 -4.91 116.55 116.20 3is7 n ASP 4 Ca 0.00 1.18 -0.20 0.00 0.52 0.00 0.00 54.79 56.29 3is7 n ASP 4 Cb 0.00 -1.40 -0.11 0.00 -0.72 0.00 0.00 41.12 38.88 3is7 n ASP 4 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3is7 h LYS 5 N 2.25 0.58 -0.10 -0.67 3.11 -2.00 -2.82 116.57 116.92 3is7 h LYS 5 Ca -0.44 -0.74 -0.11 0.00 -2.81 0.00 0.00 60.65 56.55 3is7 h LYS 5 Cb 1.31 0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 32.76 3is7 h LYS 5 CO 0.61 1.32 -0.44 0.87 -2.81 0.00 0.00 179.45 179.00 3is7 h LYS 6 N 0.27 0.24 -0.12 1.90 1.57 -1.99 -2.26 116.57 116.18 3is7 h LYS 6 Ca -0.16 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3is7 h LYS 6 Cb 1.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.13 3is7 h LYS 6 CO 0.22 0.64 -0.03 0.28 -0.57 0.00 0.00 179.45 179.99 3is7 h VAL 7 N 0.20 0.87 -0.95 0.50 2.07 -1.94 -0.92 116.25 116.09 3is7 h VAL 7 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3is7 h VAL 7 Cb 0.86 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3is7 h VAL 7 CO 0.07 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.67 3is7 h ILE 8 N -0.00 1.05 -0.31 4.57 2.04 -1.27 0.35 117.51 123.94 3is7 h ILE 8 Ca 0.06 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.41 3is7 h ILE 8 Cb 0.09 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.06 3is7 h ILE 8 CO -0.13 0.19 -0.39 1.56 0.00 0.00 0.00 178.15 179.38 3is7 h GLN 9 N 1.06 0.82 -0.38 2.37 4.20 -1.16 -0.79 115.11 121.22 3is7 h GLN 9 Ca 0.42 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3is7 h GLN 9 Cb 0.24 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3is7 h GLN 9 CO -0.17 1.10 0.21 0.45 -0.67 0.00 0.00 178.83 179.75 3is7 h HIS 10 N 0.59 0.52 -0.87 2.96 3.86 0.25 0.66 115.15 123.12 3is7 h HIS 10 Ca 0.04 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3is7 h HIS 10 Cb 0.98 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.24 3is7 h HIS 10 CO 0.07 0.40 0.57 -0.07 0.86 0.00 0.00 177.93 179.76 3is7 h LEU 11 N 0.48 0.97 -0.79 2.43 3.38 -0.08 -1.12 115.31 120.59 3is7 h LEU 11 Ca 0.13 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3is7 h LEU 11 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3is7 h LEU 11 CO -0.02 0.69 -0.41 0.78 0.09 0.00 0.00 178.44 179.57 3is7 h ASN 12 N 1.13 0.45 -0.45 -0.43 2.35 -0.91 0.24 115.58 117.96 3is7 h ASN 12 Ca 0.33 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3is7 h ASN 12 Cb -0.06 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3is7 h ASN 12 CO -0.08 0.81 0.04 0.50 -1.65 0.00 0.00 177.43 177.05 3is7 h LYS 13 N 0.35 0.76 -0.41 0.81 3.64 0.15 0.39 116.57 122.26 3is7 h LYS 13 Ca 0.03 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 3is7 h LYS 13 Cb 0.87 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3is7 h LYS 13 CO 0.07 0.80 0.14 0.82 -2.27 0.00 0.00 179.45 179.01 3is7 h ILE 14 N 0.61 1.21 -0.35 2.00 1.08 -0.98 -1.84 117.51 119.24 3is7 h ILE 14 Ca 0.13 -0.70 0.07 0.00 -0.39 0.00 0.00 64.86 63.97 3is7 h ILE 14 Cb 0.43 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 3is7 h ILE 14 CO 0.01 0.25 -0.04 0.25 -0.69 0.00 0.00 178.15 177.93 3is7 h LEU 15 N 0.53 -0.23 -0.98 1.44 5.85 -0.85 0.85 115.31 121.92 3is7 h LEU 15 Ca 0.13 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.09 3is7 h LEU 15 Cb 0.25 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 3is7 h LEU 15 CO -0.01 -0.08 0.60 1.23 -0.34 0.00 0.00 178.44 179.85 3is7 h GLY 16 N 0.05 1.65 1.44 3.75 0.00 -0.41 0.11 103.07 109.65 3is7 h GLY 16 Ca 0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3is7 h GLY 16 CO -0.32 0.07 -0.27 3.43 0.00 0.00 0.00 176.54 179.45 3is7 h ASN 17 N 0.87 0.66 -0.30 0.19 2.35 -0.11 -2.67 115.58 116.58 3is7 h ASN 17 Ca 0.52 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.90 3is7 h ASN 17 Cb 0.63 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3is7 h ASN 17 CO -0.31 0.90 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.78 3is7 h GLU 18 N 0.56 0.80 -0.56 0.81 4.39 0.43 -1.84 114.58 119.16 3is7 h GLU 18 Ca 0.07 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.37 3is7 h GLU 18 Cb 0.75 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 3is7 h GLU 18 CO 0.06 0.97 0.12 -0.07 -1.16 0.00 0.00 179.01 178.92 3is7 h LEU 19 N 0.68 0.82 -0.51 1.33 3.38 -0.56 0.54 115.31 120.99 3is7 h LEU 19 Ca 0.09 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3is7 h LEU 19 Cb 0.79 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3is7 h LEU 19 CO 0.07 0.81 0.13 0.40 0.09 0.00 0.00 178.44 179.93 3is7 h ILE 20 N 0.83 1.24 -0.24 1.22 2.04 -1.22 -3.13 117.51 118.25 3is7 h ILE 20 Ca 0.18 -0.84 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 3is7 h ILE 20 Cb 0.33 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3is7 h ILE 20 CO 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 178.15 178.20 3is7 h ALA 21 N 1.00 0.35 -0.75 1.87 0.00 -0.48 -0.28 119.26 120.97 3is7 h ALA 21 Ca 0.16 -0.39 0.14 0.00 0.00 0.00 0.00 54.91 54.82 3is7 h ALA 21 Cb 0.33 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 3is7 h ALA 21 CO 0.00 0.34 -0.27 0.82 0.00 0.00 0.00 179.25 180.14 3is7 h ILE 22 N 0.30 0.17 0.00 0.00 2.04 -0.95 0.24 117.51 119.31 3is7 h ILE 22 Ca 0.04 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.67 3is7 h ILE 22 Cb 0.82 0.17 0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3is7 h ILE 22 CO 0.06 0.00 -0.87 0.78 0.00 0.00 0.00 178.15 178.13 3is7 h ASN 23 N -0.05 0.76 -0.17 1.72 4.21 -1.43 0.88 115.58 121.49 3is7 h ASN 23 Ca 0.33 -0.75 0.00 0.00 1.21 0.00 0.00 56.30 57.09 3is7 h ASN 23 Cb 0.57 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3is7 h ASN 23 CO -0.79 1.41 0.11 -0.61 -1.29 0.00 0.00 177.43 176.26 3is7 h GLN 24 N 0.18 0.23 -0.33 0.81 4.15 -0.70 0.24 115.11 119.69 3is7 h GLN 24 Ca -0.11 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.14 3is7 h GLN 24 Cb 1.55 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 3is7 h GLN 24 CO 0.17 0.15 -0.41 1.88 -1.93 0.00 0.00 178.83 178.69 3is7 h TYR 25 N 0.23 0.98 -0.44 3.99 0.05 -0.52 0.12 116.97 121.39 3is7 h TYR 25 Ca 0.06 -0.30 -0.03 0.00 0.05 0.00 0.00 58.73 58.51 3is7 h TYR 25 Cb -0.02 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3is7 h TYR 25 CO -0.07 1.09 0.15 0.35 -1.05 0.00 0.00 178.16 178.63 3is7 h PHE 26 N 0.66 0.69 -0.47 4.88 3.04 -0.65 -0.55 116.94 124.54 3is7 h PHE 26 Ca 0.05 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 3is7 h PHE 26 Cb 0.98 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 3is7 h PHE 26 CO 0.06 0.61 -0.13 1.25 -2.02 0.00 0.00 178.31 178.08 3is7 h LEU 27 N 0.56 0.88 -0.83 0.59 5.85 -0.75 -2.05 115.31 119.56 3is7 h LEU 27 Ca 0.14 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3is7 h LEU 27 Cb 0.23 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3is7 h LEU 27 CO -0.01 1.01 0.42 0.45 -0.34 0.00 0.00 178.44 179.97 3is7 h HIS 28 N 0.78 1.18 -0.36 1.25 3.86 -0.46 -1.76 115.15 119.63 3is7 h HIS 28 Ca 0.12 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3is7 h HIS 28 Cb 0.65 -0.37 -0.06 0.00 1.06 0.00 0.00 27.41 28.69 3is7 h HIS 28 CO 0.04 0.84 -0.03 1.03 0.86 0.00 0.00 177.93 180.67 3is7 h SER 29 N 1.17 -0.21 0.46 2.45 0.87 -0.83 0.09 113.55 117.55 3is7 h SER 29 Ca 0.29 0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.82 3is7 h SER 29 Cb 0.09 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3is7 h SER 29 CO -0.04 -0.07 -0.56 0.03 -0.53 0.00 0.00 176.83 175.67 3is7 h ARG 30 N 0.07 0.10 -0.25 2.24 -0.00 -1.09 -0.79 114.38 114.65 3is7 h ARG 30 Ca 0.18 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.56 3is7 h ARG 30 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 3is7 h ARG 30 CO -0.32 0.63 0.01 0.52 0.00 0.00 0.00 179.97 180.81 3is7 h MET 31 N 0.08 0.44 -0.92 0.04 2.86 -1.09 -0.28 114.93 116.06 3is7 h MET 31 Ca -0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3is7 h MET 31 Cb 1.01 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.58 3is7 h MET 31 CO 0.08 0.60 0.58 -1.49 1.06 0.00 0.00 176.91 177.74 3is7 h TRP 32 N 0.23 1.19 -0.41 -0.22 6.55 -0.46 -0.89 115.95 121.95 3is7 h TRP 32 Ca 0.07 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 3is7 h TRP 32 Cb 0.40 -0.40 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 3is7 h TRP 32 CO 0.03 0.78 0.09 -0.91 -1.05 0.00 0.00 178.44 177.38 3is7 h ASN 33 N 1.26 0.63 -0.80 -3.49 -0.26 -1.01 0.27 115.58 112.19 3is7 h ASN 33 Ca 0.33 -0.24 0.03 0.00 -0.56 0.00 0.00 56.30 55.87 3is7 h ASN 33 Cb -0.09 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 36.96 3is7 h ASN 33 CO -0.07 0.71 0.53 -0.78 -1.06 0.00 0.00 177.43 176.76 3is7 h ASP 34 N 0.53 0.85 -0.01 5.81 3.58 -0.72 -0.92 116.42 125.55 3is7 h ASP 34 Ca 0.13 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3is7 h ASP 34 Cb 0.33 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3is7 h ASP 34 CO 0.00 0.59 0.00 0.79 -2.88 0.00 0.00 179.24 177.74 3is7 n TRP 35 N -4.45 0.00 -0.97 0.28 8.01 -0.37 -4.91 117.44 115.04 3is7 n TRP 35 Ca 0.10 -0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 3is7 n TRP 35 Cb 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 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 1.03 0.41 3.00 6.99 0.00 -0.35 -4.96 105.19 111.31 3is7 n GLY 36 Ca 0.22 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 6.42 0.12 0.99 4.77 0.02 -4.50 117.00 124.82 3is7 n LEU 37 Ca 0.00 -5.09 -0.03 0.00 -0.03 0.00 0.00 56.01 50.86 3is7 n LEU 37 Cb 0.00 -1.33 0.15 0.00 -2.33 0.00 0.00 43.42 39.92 3is7 n LEU 37 CO 0.00 1.61 0.49 0.11 -1.33 0.00 0.00 177.39 178.26 3is7 h LYS 38 N 5.58 0.08 -0.32 3.23 1.57 -0.74 -0.85 116.57 125.11 3is7 h LYS 38 Ca 0.24 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3is7 h LYS 38 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3is7 h LYS 38 CO 1.37 0.67 -0.31 -0.09 -0.57 0.00 0.00 179.45 180.52 3is7 h ARG 39 N 0.06 0.69 -0.39 3.15 2.43 -1.39 0.15 114.38 119.09 3is7 h ARG 39 Ca -0.01 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3is7 h ARG 39 Cb 1.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3is7 h ARG 39 CO 0.08 0.91 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.27 3is7 h LEU 40 N 0.59 0.77 -0.71 3.80 3.38 -1.54 -2.03 115.31 119.57 3is7 h LEU 40 Ca 0.07 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3is7 h LEU 40 Cb 0.82 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3is7 h LEU 40 CO 0.07 0.97 0.44 1.23 0.09 0.00 0.00 178.44 181.24 3is7 h GLY 41 N 0.57 1.03 1.02 0.83 0.00 -0.82 -0.68 103.07 105.01 3is7 h GLY 41 Ca 0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3is7 h GLY 41 CO 0.04 0.40 -0.02 0.00 0.00 0.00 0.00 176.54 176.97 3is7 h ALA 42 N 1.23 0.67 -0.48 3.60 0.00 -0.90 -0.85 119.26 122.53 3is7 h ALA 42 Ca 0.26 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3is7 h ALA 42 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3is7 h ALA 42 CO -0.05 0.50 0.12 1.25 0.00 0.00 0.00 179.25 181.07 3is7 h HIS 43 N 0.75 0.80 -0.14 0.00 6.17 -1.05 -1.27 115.15 120.41 3is7 h HIS 43 Ca 0.14 -0.09 -0.11 0.00 0.71 0.00 0.00 60.37 61.02 3is7 h HIS 43 Cb 0.54 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 3is7 h HIS 43 CO 0.04 0.72 -0.39 1.49 0.71 0.00 0.00 177.93 180.50 3is7 h GLU 44 N 0.65 0.31 -0.64 5.26 4.57 -1.05 -0.97 114.58 122.72 3is7 h GLU 44 Ca 0.15 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3is7 h GLU 44 Cb 0.32 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3is7 h GLU 44 CO 0.00 0.66 0.30 -0.92 -1.18 0.00 0.00 179.01 177.87 3is7 h TYR 45 N 0.26 0.92 -0.32 0.92 3.20 -0.78 -0.99 116.97 120.18 3is7 h TYR 45 Ca 0.03 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 3is7 h TYR 45 Cb 0.81 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3is7 h TYR 45 CO 0.02 0.70 -0.06 0.45 -1.64 0.00 0.00 178.16 177.62 3is7 h HIS 46 N 0.88 0.55 -0.45 -3.82 3.86 -0.68 -1.40 115.15 114.09 3is7 h HIS 46 Ca 0.22 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 3is7 h HIS 46 Cb 0.13 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3is7 h HIS 46 CO 0.00 0.58 -0.06 0.93 0.86 0.00 0.00 177.93 180.24 3is7 h GLU 47 N 0.49 0.78 -0.50 2.45 4.39 -0.36 -2.15 114.58 119.68 3is7 h GLU 47 Ca 0.10 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3is7 h GLU 47 Cb 0.41 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3is7 h GLU 47 CO 0.02 0.82 0.28 1.03 -1.16 0.00 0.00 179.01 180.00 3is7 h SER 48 N 0.71 0.61 -0.52 1.42 0.87 -0.54 -2.20 113.55 113.90 3is7 h SER 48 Ca 0.13 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3is7 h SER 48 Cb 0.52 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3is7 h SER 48 CO 0.03 0.52 0.28 0.40 -0.53 0.00 0.00 176.83 177.52 3is7 h ILE 49 N 0.66 1.18 -0.61 2.23 1.08 -1.08 0.88 117.51 121.85 3is7 h ILE 49 Ca 0.18 -0.49 0.06 0.00 -0.39 0.00 0.00 64.86 64.22 3is7 h ILE 49 Cb 0.03 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.28 3is7 h ILE 49 CO -0.03 0.20 0.31 0.44 -0.69 0.00 0.00 178.15 178.38 3is7 h ASP 50 N 0.70 0.44 -0.81 1.72 3.32 -1.29 -0.90 116.42 119.60 3is7 h ASP 50 Ca 0.18 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3is7 h ASP 50 Cb 0.07 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3is7 h ASP 50 CO -0.03 0.29 0.40 -0.33 -1.72 0.00 0.00 179.24 177.86 3is7 h GLU 51 N 0.58 1.17 -0.70 3.56 4.39 -0.84 -2.07 114.58 120.67 3is7 h GLU 51 Ca 0.28 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3is7 h GLU 51 Cb 0.20 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3is7 h GLU 51 CO -0.19 0.89 0.42 0.52 -1.16 0.00 0.00 179.01 179.49 3is7 h MET 52 N 1.16 0.94 -0.35 2.33 2.86 -0.10 -0.00 114.93 121.76 3is7 h MET 52 Ca 0.28 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 3is7 h MET 52 Cb 0.10 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3is7 h MET 52 CO -0.04 0.65 -0.37 0.87 1.06 0.00 0.00 176.91 179.09 3is7 h LYS 53 N 0.96 0.82 -0.20 1.72 1.57 -0.67 -1.30 116.57 119.47 3is7 h LYS 53 Ca 0.25 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3is7 h LYS 53 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3is7 h LYS 53 CO -0.05 1.05 0.01 0.45 -0.57 0.00 0.00 179.45 180.34 3is7 h HIS 54 N 0.68 0.37 -0.75 -1.35 3.86 -1.04 -2.40 115.15 114.52 3is7 h HIS 54 Ca 0.06 -0.06 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 3is7 h HIS 54 Cb 0.93 -0.10 -0.12 0.00 1.06 0.00 0.00 27.41 29.18 3is7 h HIS 54 CO 0.05 0.52 0.09 0.00 0.86 0.00 0.00 177.93 179.46 3is7 h ALA 55 N 0.80 0.89 -0.80 2.45 0.00 -0.78 -0.56 119.26 121.26 3is7 h ALA 55 Ca 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3is7 h ALA 55 Cb 0.36 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3is7 h ALA 55 CO 0.01 -0.40 0.40 0.22 0.00 0.00 0.00 179.25 179.49 3is7 h ASP 56 N 0.17 1.02 -0.40 0.00 3.58 -1.00 -1.00 116.42 118.80 3is7 h ASP 56 Ca 0.42 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.64 3is7 h ASP 56 Cb 0.75 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 3is7 h ASP 56 CO -0.60 0.85 -0.20 0.11 -2.88 0.00 0.00 179.24 176.52 3is7 h LYS 57 N 1.12 0.85 -0.06 0.28 1.57 -0.66 -1.27 116.57 118.39 3is7 h LYS 57 Ca 0.28 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3is7 h LYS 57 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3is7 h LYS 57 CO -0.04 1.01 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.67 3is7 h LEU 58 N 0.66 -0.36 -0.54 2.94 3.38 -0.85 -0.58 115.31 119.96 3is7 h LEU 58 Ca 0.09 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3is7 h LEU 58 Cb 0.76 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3is7 h LEU 58 CO 0.06 -0.16 0.14 0.40 0.09 0.00 0.00 178.44 178.97 3is7 h ILE 59 N -0.17 0.72 -0.42 1.22 2.04 -1.03 -0.57 117.51 119.30 3is7 h ILE 59 Ca 0.06 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3is7 h ILE 59 Cb 0.26 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3is7 h ILE 59 CO -0.16 0.05 -0.12 -0.33 0.00 0.00 0.00 178.15 177.58 3is7 h GLU 60 N 0.29 0.77 -0.23 2.37 5.08 -0.75 -1.52 114.58 120.58 3is7 h GLU 60 Ca 0.27 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3is7 h GLU 60 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3is7 h GLU 60 CO -0.33 0.86 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.32 3is7 h ARG 61 N 0.70 0.50 -0.57 2.33 9.65 -0.64 -1.66 114.38 124.69 3is7 h ARG 61 Ca 0.12 -0.22 0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3is7 h ARG 61 Cb 0.60 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.12 3is7 h ARG 61 CO 0.04 0.77 0.28 0.82 2.80 0.00 0.00 179.97 184.68 3is7 h ILE 62 N 0.21 0.92 -0.35 1.20 2.04 -0.95 -0.70 117.51 119.88 3is7 h ILE 62 Ca 0.05 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3is7 h ILE 62 Cb 0.63 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3is7 h ILE 62 CO 0.04 0.10 -0.33 -0.07 0.00 0.00 0.00 178.15 177.89 3is7 h LEU 63 N 0.53 0.81 -1.32 1.44 -0.00 -1.24 -0.27 115.31 115.25 3is7 h LEU 63 Ca 0.26 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.81 3is7 h LEU 63 Cb 0.19 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 3is7 h LEU 63 CO -0.19 1.07 0.46 0.15 -0.00 0.00 0.00 178.44 179.93 3is7 h PHE 64 N 0.65 0.87 -0.02 1.13 3.57 -0.74 -1.13 116.94 121.26 3is7 h PHE 64 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3is7 h PHE 64 Cb 0.86 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3is7 h PHE 64 CO 0.05 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 177.95 3is7 n LEU 65 N -4.43 0.27 -1.21 0.59 4.77 -0.32 -4.90 117.00 111.76 3is7 n LEU 65 Ca 0.08 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 3is7 n LEU 65 Cb 0.05 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3is7 n LEU 65 CO 0.36 0.05 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.72 3is7 n GLU 66 N -0.65 -0.87 -2.54 3.23 1.02 -0.43 -3.57 120.64 116.84 3is7 n GLU 66 Ca 0.16 0.58 -0.22 0.00 -0.02 0.00 0.00 57.16 57.66 3is7 n GLU 66 Cb 0.12 -4.68 0.11 0.00 -0.02 0.00 0.00 31.44 26.97 3is7 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3is7 n GLY 67 N -1.09 0.75 3.24 0.62 0.00 -0.22 -5.01 105.19 103.49 3is7 n GLY 67 Ca -0.13 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 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 3.86 0.26 0.99 1.43 -1.26 -4.43 118.68 119.52 3is7 s LEU 68 Ca 0.64 -1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 3is7 s LEU 68 Cb -0.04 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 3is7 s LEU 68 CO 0.42 -0.24 1.28 -2.84 0.23 0.00 0.00 176.35 175.21 3is7 s PRO 69 N 1.36 4.41 -0.63 1.29 0.02 -1.26 -4.95 135.00 135.24 3is7 s PRO 69 Ca -0.02 2.08 -0.15 0.00 0.02 0.00 0.00 61.00 62.94 3is7 s PRO 69 Cb -0.18 -3.15 0.16 0.00 0.02 0.00 0.00 34.50 31.34 3is7 s PRO 69 CO 0.00 -0.17 0.57 1.21 -0.33 0.00 0.00 177.00 178.28 3is7 s ASN 70 N -0.10 6.34 -0.11 2.53 3.84 -1.26 -4.85 114.94 121.32 3is7 s ASN 70 Ca 0.52 -2.08 0.17 0.00 0.21 0.00 0.00 52.86 51.68 3is7 s ASN 70 Cb -0.37 -2.20 0.63 0.00 -0.55 0.00 0.00 41.25 38.76 3is7 s ASN 70 CO 0.44 -0.76 1.55 0.18 -2.79 0.00 0.00 177.10 175.71 3is7 n LEU 71 N 4.83 4.40 -0.03 3.21 4.32 -1.26 -4.49 117.00 127.98 3is7 n LEU 71 Ca -0.05 -2.51 -0.06 0.00 -0.02 0.00 0.00 56.01 53.37 3is7 n LEU 71 Cb 0.42 -0.53 -0.14 0.00 -1.62 0.00 0.00 43.42 41.56 3is7 n LEU 71 CO 0.47 0.77 -0.69 1.67 -1.22 0.00 0.00 177.39 178.39 3is7 n GLN 72 N 0.72 0.65 -3.59 3.23 -0.06 -1.26 -4.86 117.38 112.21 3is7 n GLN 72 Ca 0.23 0.16 -0.38 0.00 -2.00 0.00 0.00 57.00 55.01 3is7 n GLN 72 Cb 0.84 -1.70 -0.11 0.00 -4.06 0.00 0.00 30.24 25.21 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 -5.76 6.03 -0.21 1.69 1.01 -1.26 -5.04 116.67 113.13 3is7 s ASP 73 Ca -0.06 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.21 3is7 s ASP 73 Cb 0.08 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.91 3is7 s ASP 73 CO 0.83 -0.05 -0.14 -0.22 0.21 0.00 0.00 175.17 175.80 3is7 s LEU 74 N 1.72 2.61 0.00 1.23 2.96 -1.26 -4.89 118.68 121.05 3is7 s LEU 74 Ca 0.07 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 3is7 s LEU 74 Cb -0.16 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3is7 s LEU 74 CO 0.11 -0.05 0.12 0.61 -1.32 0.00 0.00 176.35 175.81 3is7 n GLY 75 N 4.62 -1.48 3.64 7.98 0.00 -1.26 -4.96 105.19 113.73 3is7 n GLY 75 Ca -0.19 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.27 3.94 0.20 1.61 2.47 -1.26 -4.92 119.74 118.52 3is7 s LYS 76 Ca 0.07 1.49 -0.30 0.00 -1.56 0.00 0.00 55.97 55.68 3is7 s LYS 76 Cb -0.00 -3.91 -0.09 0.00 -1.46 0.00 0.00 37.83 32.37 3is7 s LYS 76 CO 0.05 -1.09 1.24 -0.51 0.16 0.00 0.00 175.35 175.20 3is7 s LEU 77 N 4.47 4.44 -0.73 5.43 1.02 -1.26 -5.02 118.68 127.03 3is7 s LEU 77 Ca 0.62 2.33 -0.16 0.00 0.02 0.00 0.00 54.13 56.93 3is7 s LEU 77 Cb -0.21 -3.61 0.17 0.00 0.02 0.00 0.00 46.19 42.56 3is7 s LEU 77 CO 0.24 -0.43 0.73 -0.76 0.02 0.00 0.00 176.35 176.15 3is7 s LEU 78 N -0.35 6.25 -0.40 1.79 1.43 -1.26 -5.05 118.68 121.09 3is7 s LEU 78 Ca 0.54 -2.22 -0.15 0.00 -1.03 0.00 0.00 54.13 51.26 3is7 s LEU 78 Cb -0.34 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3is7 s LEU 78 CO 0.38 -0.77 0.32 -0.63 0.23 0.00 0.00 176.35 175.89 3is7 s ILE 79 N 1.14 5.22 0.85 -0.59 -1.09 -1.26 -4.68 121.20 120.79 3is7 s ILE 79 Ca 0.15 -0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 57.98 3is7 s ILE 79 Cb -0.17 -3.91 0.10 0.00 -1.58 0.00 0.00 42.46 36.91 3is7 s ILE 79 CO -0.04 -0.27 1.15 -0.83 -1.23 0.00 0.00 174.94 173.72 3is7 s GLY 80 N 1.72 1.59 0.00 6.18 0.00 -1.26 -4.99 107.32 110.55 3is7 s GLY 80 Ca 0.07 -0.55 0.12 0.00 0.00 0.00 0.00 44.72 44.36 3is7 s GLY 80 CO 0.11 -0.03 0.52 -1.84 0.00 0.00 0.00 173.10 171.86 3is7 n GLU 81 N -3.53 3.02 -4.11 2.90 0.00 -1.26 -4.84 120.64 112.82 3is7 n GLU 81 Ca 0.07 -0.10 -0.12 0.00 0.00 0.00 0.00 57.16 57.01 3is7 n GLU 81 Cb 0.60 -1.06 -0.07 0.00 0.00 0.00 0.00 31.44 30.91 3is7 n GLU 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3is7 s ASN 82 N -2.01 0.36 0.16 -1.84 2.20 -1.26 -5.03 114.94 107.51 3is7 s ASN 82 Ca 0.05 -1.28 -0.16 0.00 -0.94 0.00 0.00 52.86 50.52 3is7 s ASN 82 Cb 0.09 0.53 0.08 0.00 -2.00 0.00 0.00 41.25 39.94 3is7 s ASN 82 CO 0.45 -1.06 1.72 0.74 -2.94 0.00 0.00 177.10 176.01 3is7 h THR 83 N 2.35 0.81 -0.56 0.54 2.02 -1.99 0.51 112.91 116.59 3is7 h THR 83 Ca -0.30 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3is7 h THR 83 Cb 1.25 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3is7 h THR 83 CO 0.43 0.03 0.34 1.56 0.37 0.00 0.00 175.52 178.25 3is7 h GLN 84 N 0.18 0.75 -0.38 6.66 7.50 -2.00 -1.34 115.11 126.49 3is7 h GLN 84 Ca 0.17 -0.06 -0.08 0.00 0.50 0.00 0.00 58.65 59.18 3is7 h GLN 84 Cb 0.20 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 3is7 h GLN 84 CO -0.23 0.54 -0.10 0.93 -1.50 0.00 0.00 178.83 178.46 3is7 h GLU 85 N 0.75 0.66 -0.41 1.46 5.08 -1.83 -2.13 114.58 118.16 3is7 h GLU 85 Ca 0.20 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3is7 h GLU 85 Cb -0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3is7 h GLU 85 CO -0.04 0.75 -0.24 0.52 -1.00 0.00 0.00 179.01 179.00 3is7 h MET 86 N 0.60 0.83 -0.22 2.33 2.86 -0.03 0.57 114.93 121.87 3is7 h MET 86 Ca 0.11 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3is7 h MET 86 Cb 0.53 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3is7 h MET 86 CO 0.03 0.98 0.03 -0.07 1.06 0.00 0.00 176.91 178.95 3is7 h LEU 87 N 0.72 0.36 -1.06 1.22 3.38 -1.24 -0.90 115.31 117.80 3is7 h LEU 87 Ca 0.09 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3is7 h LEU 87 Cb 0.77 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 3is7 h LEU 87 CO 0.06 0.54 0.62 -0.61 0.09 0.00 0.00 178.44 179.14 3is7 h GLN 88 N 0.17 1.25 -0.61 1.13 5.75 -1.23 -0.05 115.11 121.52 3is7 h GLN 88 Ca 0.07 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3is7 h GLN 88 Cb 0.33 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3is7 h GLN 88 CO 0.01 0.84 0.30 0.00 -2.65 0.00 0.00 178.83 177.32 3is7 h ASP 90 N 0.83 1.04 -0.30 0.00 3.32 -0.82 -1.21 116.42 119.27 3is7 h ASP 90 Ca 0.21 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3is7 h ASP 90 Cb 0.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3is7 h ASP 90 CO -0.03 0.80 -0.11 0.25 -1.72 0.00 0.00 179.24 178.44 3is7 h LEU 91 N 1.19 0.62 -0.80 1.55 5.85 -0.32 -0.85 115.31 122.55 3is7 h LEU 91 Ca 0.31 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3is7 h LEU 91 Cb -0.04 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3is7 h LEU 91 CO -0.06 0.86 0.50 0.78 -0.34 0.00 0.00 178.44 180.18 3is7 h ASN 92 N 0.37 0.78 -0.36 1.25 2.35 -0.46 0.36 115.58 119.88 3is7 h ASN 92 Ca 0.07 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3is7 h ASN 92 Cb 0.61 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3is7 h ASN 92 CO 0.04 0.51 -0.11 0.25 -1.65 0.00 0.00 177.43 176.46 3is7 h LEU 93 N 0.92 0.72 -1.40 1.61 5.85 -1.03 -2.68 115.31 119.31 3is7 h LEU 93 Ca 0.34 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3is7 h LEU 93 Cb 0.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3is7 h LEU 93 CO -0.16 0.93 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.34 3is7 h GLU 94 N 0.50 0.13 -0.27 1.25 4.39 -0.20 -0.17 114.58 120.21 3is7 h GLU 94 Ca 0.09 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3is7 h GLU 94 Cb 0.64 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3is7 h GLU 94 CO 0.04 0.34 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.82 3is7 h LEU 95 N 0.12 0.60 -0.20 1.33 3.38 -0.64 -1.10 115.31 118.79 3is7 h LEU 95 Ca 0.02 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 3is7 h LEU 95 Cb 0.45 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3is7 h LEU 95 CO 0.03 0.89 -0.30 0.50 0.09 0.00 0.00 178.44 179.65 3is7 h LYS 96 N 0.49 0.56 -0.79 1.13 1.63 -1.14 -2.69 116.57 115.77 3is7 h LYS 96 Ca 0.05 -0.33 0.07 0.00 -0.85 0.00 0.00 60.65 59.59 3is7 h LYS 96 Cb 0.82 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.43 3is7 h LYS 96 CO 0.07 0.94 0.51 0.00 -3.45 0.00 0.00 179.45 177.52 3is7 h ALA 97 N 0.61 1.65 -0.08 5.00 0.00 -0.82 -2.03 119.26 123.59 3is7 h ALA 97 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3is7 h ALA 97 Cb 0.89 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.48 3is7 h ALA 97 CO 0.07 0.23 -0.89 1.15 0.00 0.00 0.00 179.25 179.81 3is7 h THR 98 N 0.84 1.28 -0.61 0.00 2.02 -1.20 -1.86 112.91 113.38 3is7 h THR 98 Ca 0.34 -2.09 -0.02 0.00 0.77 0.00 0.00 66.41 65.41 3is7 h THR 98 Cb 0.25 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 3is7 h THR 98 CO -0.12 0.66 0.30 0.50 0.37 0.00 0.00 175.52 177.23 3is7 h LYS 99 N 0.45 0.87 0.00 6.66 3.64 -1.04 -2.24 116.57 124.92 3is7 h LYS 99 Ca -0.09 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.08 3is7 h LYS 99 Cb 1.53 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 3is7 h LYS 99 CO 0.18 0.69 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.17 3is7 h ASP 100 N 0.83 0.00 -0.39 4.20 3.32 -1.34 -2.45 116.42 120.60 3is7 h ASP 100 Ca 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3is7 h ASP 100 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3is7 h ASP 100 CO -0.03 0.44 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.65 3is7 h LEU 101 N 0.00 0.91 -0.57 1.55 -0.00 -1.01 -1.81 115.31 114.39 3is7 h LEU 101 Ca -0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.49 3is7 h LEU 101 Cb 0.80 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 3is7 h LEU 101 CO 0.06 1.09 0.13 0.03 -0.00 0.00 0.00 178.44 179.75 3is7 h ARG 102 N 0.77 0.91 -0.70 1.13 3.08 -1.01 -1.21 114.38 117.36 3is7 h ARG 102 Ca 0.10 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3is7 h ARG 102 Cb 0.76 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 3is7 h ARG 102 CO 0.06 0.85 0.44 0.93 -1.07 0.00 0.00 179.97 181.19 3is7 h GLU 103 N 0.82 0.85 -0.34 0.04 5.08 -1.36 -0.26 114.58 119.39 3is7 h GLU 103 Ca 0.18 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3is7 h GLU 103 Cb 0.35 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3is7 h GLU 103 CO 0.00 0.56 -0.04 0.00 -1.00 0.00 0.00 179.01 178.53 3is7 h ALA 104 N 1.30 1.29 -0.13 3.43 0.00 -1.14 -2.19 119.26 121.82 3is7 h ALA 104 Ca 0.28 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3is7 h ALA 104 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3is7 h ALA 104 CO -0.10 0.48 -0.35 0.82 0.00 0.00 0.00 179.25 180.09 3is7 h ILE 105 N 0.52 1.37 -0.49 0.00 2.04 -0.27 -0.56 117.51 120.13 3is7 h ILE 105 Ca 0.11 -1.66 0.10 0.00 1.00 0.00 0.00 64.86 64.41 3is7 h ILE 105 Cb 0.40 2.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.47 3is7 h ILE 105 CO 0.02 0.49 -0.24 0.58 0.00 0.00 0.00 178.15 179.00 3is7 h VAL 106 N 0.06 0.32 -0.39 1.67 2.07 -0.94 -0.34 116.25 118.70 3is7 h VAL 106 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3is7 h VAL 106 Cb 0.97 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3is7 h VAL 106 CO 0.08 0.00 0.10 -0.74 0.02 0.00 0.00 177.57 177.02 3is7 h HIS 107 N -0.13 0.66 -0.88 1.57 -0.00 -1.19 -2.02 115.15 113.17 3is7 h HIS 107 Ca 0.23 -0.08 0.13 0.00 -0.00 0.00 0.00 60.37 60.65 3is7 h HIS 107 Cb 0.48 -0.19 -0.09 0.00 -0.00 0.00 0.00 27.41 27.62 3is7 h HIS 107 CO -0.51 0.63 0.50 0.00 -0.00 0.00 0.00 177.93 178.55 3is7 h GLU 109 N 0.77 -0.46 -0.92 0.00 4.57 -0.61 -0.11 114.58 117.82 3is7 h GLU 109 Ca 0.45 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.82 3is7 h GLU 109 Cb 0.53 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.13 3is7 h GLU 109 CO -0.30 -0.27 0.51 0.37 -1.18 0.00 0.00 179.01 178.14 3is7 h GLN 110 N -0.53 0.68 -0.62 1.92 4.15 -0.98 -1.80 115.11 117.94 3is7 h GLN 110 Ca -0.05 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3is7 h GLN 110 Cb 0.40 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3is7 h GLN 110 CO 0.08 0.45 0.00 1.33 -1.93 0.00 0.00 178.83 178.76 3is7 n VAL 111 N -4.82 0.93 -1.93 2.39 0.24 -0.79 -4.96 118.33 109.39 3is7 n VAL 111 Ca 0.19 -0.84 -0.10 0.00 -2.04 0.00 0.00 64.34 61.55 3is7 n VAL 111 Cb 0.47 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 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 1.23 -0.34 -2.78 6.34 8.25 -0.68 -4.95 115.22 122.30 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 0.56 -2.28 0.00 0.00 1.12 0.00 0.00 29.99 29.39 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 0.18 5.40 0.14 0.41 -0.08 -0.13 -4.81 116.55 117.66 3is7 n ASP 113 Ca -0.11 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.06 3is7 n ASP 113 Cb 0.52 -1.46 0.27 0.00 2.34 0.00 0.00 41.12 42.79 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 6.28 0.10 -0.40 -0.67 0.05 -1.93 -1.99 116.97 118.40 3is7 h TYR 114 Ca 0.31 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.96 3is7 h TYR 114 Cb 0.74 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 3is7 h TYR 114 CO 1.10 0.50 -0.17 0.28 -1.05 0.00 0.00 178.16 178.82 3is7 h VAL 115 N 0.07 1.28 -0.66 -2.88 2.07 -1.97 -1.06 116.25 113.10 3is7 h VAL 115 Ca 0.00 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 3is7 h VAL 115 Cb 0.80 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3is7 h VAL 115 CO 0.06 0.43 0.28 0.28 0.02 0.00 0.00 177.57 178.65 3is7 h SER 116 N 0.64 0.89 -0.89 0.57 0.02 -1.95 -1.82 113.55 111.01 3is7 h SER 116 Ca 0.09 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3is7 h SER 116 Cb 0.72 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 3is7 h SER 116 CO 0.05 0.80 0.57 -0.09 -1.14 0.00 0.00 176.83 177.03 3is7 h ARG 117 N 0.92 1.06 -0.31 3.45 2.43 -1.17 -1.21 114.38 119.54 3is7 h ARG 117 Ca 0.22 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3is7 h ARG 117 Cb 0.18 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3is7 h ARG 117 CO -0.02 0.70 0.03 0.22 -1.51 0.00 0.00 179.97 179.38 3is7 h ASP 118 N 1.09 0.51 -0.39 -3.80 3.58 -0.69 0.12 116.42 116.84 3is7 h ASP 118 Ca 0.36 -0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.61 3is7 h ASP 118 Cb 0.05 -0.14 -0.09 0.00 1.72 0.00 0.00 39.33 40.88 3is7 h ASP 118 CO -0.13 0.67 -0.20 0.25 -2.88 0.00 0.00 179.24 176.94 3is7 h LEU 119 N 0.34 -0.69 -1.12 2.28 6.46 -0.91 -1.82 115.31 119.85 3is7 h LEU 119 Ca 0.09 0.15 -0.08 0.00 -0.12 0.00 0.00 57.88 57.92 3is7 h LEU 119 Cb 0.39 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 3is7 h LEU 119 CO 0.01 -0.24 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.28 3is7 h LEU 120 N -0.14 0.31 -0.51 2.25 3.38 -1.06 -1.24 115.31 118.30 3is7 h LEU 120 Ca 0.19 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 3is7 h LEU 120 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3is7 h LEU 120 CO -0.48 0.57 -0.44 0.50 0.09 0.00 0.00 178.44 178.68 3is7 h LYS 121 N 0.28 0.72 -0.17 1.13 3.64 -0.71 -1.17 116.57 120.30 3is7 h LYS 121 Ca 0.04 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 3is7 h LYS 121 Cb 0.60 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3is7 h LYS 121 CO 0.04 1.01 0.08 -0.44 -2.27 0.00 0.00 179.45 177.88 3is7 h ASP 122 N 0.58 0.12 -0.85 4.20 3.45 -0.95 -0.77 116.42 122.19 3is7 h ASP 122 Ca 0.04 0.01 0.08 0.00 0.43 0.00 0.00 57.03 57.58 3is7 h ASP 122 Cb 0.99 -0.01 -0.07 0.00 -0.56 0.00 0.00 39.33 39.68 3is7 h ASP 122 CO 0.09 0.09 0.52 0.40 -1.57 0.00 0.00 179.24 178.77 3is7 h ILE 123 N 0.18 0.99 -0.40 0.35 2.04 -1.16 -2.48 117.51 117.04 3is7 h ILE 123 Ca 0.07 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3is7 h ILE 123 Cb 0.02 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 3is7 h ILE 123 CO -0.05 0.17 0.03 0.25 0.00 0.00 0.00 178.15 178.54 3is7 h LEU 124 N 0.91 0.67 -0.65 1.44 5.85 -0.73 -0.14 115.31 122.65 3is7 h LEU 124 Ca 0.39 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3is7 h LEU 124 Cb 0.25 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3is7 h LEU 124 CO -0.20 0.79 0.33 -0.08 -0.34 0.00 0.00 178.44 178.94 3is7 h GLU 125 N 0.52 0.58 -0.70 1.25 4.81 -1.07 0.24 114.58 120.21 3is7 h GLU 125 Ca 0.12 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3is7 h GLU 125 Cb 0.43 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3is7 h GLU 125 CO 0.02 0.38 0.45 1.03 -0.73 0.00 0.00 179.01 180.16 3is7 h SER 126 N 0.60 0.77 0.13 1.04 0.87 -0.94 -1.79 113.55 114.22 3is7 h SER 126 Ca 0.31 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 3is7 h SER 126 Cb 0.26 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3is7 h SER 126 CO -0.22 0.55 -0.46 -0.33 -0.53 0.00 0.00 176.83 175.83 3is7 h GLU 127 N 0.91 0.39 -0.48 2.24 4.39 -0.39 -1.88 114.58 119.76 3is7 h GLU 127 Ca 0.27 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 3is7 h GLU 127 Cb -0.05 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3is7 h GLU 127 CO -0.08 0.78 0.01 0.93 -1.16 0.00 0.00 179.01 179.48 3is7 h GLU 128 N 0.32 0.79 -0.42 2.33 5.08 -0.27 -0.49 114.58 121.92 3is7 h GLU 128 Ca 0.02 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3is7 h GLU 128 Cb 0.93 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3is7 h GLU 128 CO 0.08 0.79 0.04 0.93 -1.00 0.00 0.00 179.01 179.85 3is7 h GLU 129 N 0.74 0.65 -0.48 2.33 5.08 -0.94 0.57 114.58 122.53 3is7 h GLU 129 Ca 0.15 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3is7 h GLU 129 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3is7 h GLU 129 CO 0.02 0.64 -0.21 1.25 -1.00 0.00 0.00 179.01 179.71 3is7 h HIS 130 N 0.62 1.12 -0.82 4.33 2.76 -0.63 -1.13 115.15 121.39 3is7 h HIS 130 Ca 0.13 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 3is7 h HIS 130 Cb 0.34 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 3is7 h HIS 130 CO 0.01 1.08 0.43 0.82 -1.30 0.00 0.00 177.93 178.98 3is7 h ILE 131 N 0.85 1.25 -0.53 6.26 2.04 -0.40 -0.39 117.51 126.58 3is7 h ILE 131 Ca 0.11 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3is7 h ILE 131 Cb 0.78 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3is7 h ILE 131 CO 0.06 0.28 0.28 -0.78 0.00 0.00 0.00 178.15 178.00 3is7 h ASP 132 N 1.15 0.42 -0.34 1.72 3.58 -0.58 -0.10 116.42 122.27 3is7 h ASP 132 Ca 0.29 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 3is7 h ASP 132 Cb 0.06 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3is7 h ASP 132 CO -0.04 0.29 0.18 0.22 -2.88 0.00 0.00 179.24 177.01 3is7 h TYR 133 N 0.55 0.47 -0.16 0.28 3.20 -0.73 -1.43 116.97 119.16 3is7 h TYR 133 Ca 0.23 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3is7 h TYR 133 Cb 0.12 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 3is7 h TYR 133 CO -0.09 0.39 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.66 3is7 h LEU 134 N 0.42 0.35 -1.30 2.82 -0.00 -0.45 -0.03 115.31 117.13 3is7 h LEU 134 Ca 0.12 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.56 3is7 h LEU 134 Cb 0.08 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 3is7 h LEU 134 CO -0.02 0.69 0.26 -0.33 -0.00 0.00 0.00 178.44 179.04 3is7 h GLU 135 N 0.01 0.74 -0.67 1.13 5.08 -1.04 -2.08 114.58 117.75 3is7 h GLU 135 Ca 0.04 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3is7 h GLU 135 Cb 0.56 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3is7 h GLU 135 CO 0.02 0.57 0.21 1.15 -1.00 0.00 0.00 179.01 179.97 3is7 h THR 136 N 0.74 1.25 -0.31 1.13 2.02 -0.77 -1.81 112.91 115.16 3is7 h THR 136 Ca 0.19 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3is7 h THR 136 Cb 0.07 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3is7 h THR 136 CO -0.03 0.34 0.05 1.56 0.37 0.00 0.00 175.52 177.81 3is7 h GLN 137 N 0.98 0.52 -0.81 6.66 1.08 -0.36 -0.65 115.11 122.53 3is7 h GLN 137 Ca 0.22 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3is7 h GLN 137 Cb 0.30 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 3is7 h GLN 137 CO -0.01 0.61 0.48 -0.07 -0.95 0.00 0.00 178.83 178.89 3is7 h LEU 138 N 0.34 0.97 -0.87 1.46 -0.00 -1.37 -1.77 115.31 114.08 3is7 h LEU 138 Ca 0.10 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3is7 h LEU 138 Cb 0.34 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 3is7 h LEU 138 CO 0.01 0.75 0.35 1.23 -0.00 0.00 0.00 178.44 180.78 3is7 h GLY 139 N 1.14 1.26 1.28 0.83 0.00 -1.10 -2.97 103.07 103.51 3is7 h GLY 139 Ca 0.29 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3is7 h GLY 139 CO -0.05 0.62 -0.08 1.41 0.00 0.00 0.00 176.54 178.44 3is7 h LEU 140 N 1.15 0.84 -0.93 3.11 3.38 -0.35 -1.77 115.31 120.74 3is7 h LEU 140 Ca 0.27 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.11 3is7 h LEU 140 Cb 0.17 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3is7 h LEU 140 CO -0.03 0.95 0.56 0.40 0.09 0.00 0.00 178.44 180.41 3is7 h ILE 141 N 0.78 0.91 -0.37 1.22 2.04 -1.20 0.22 117.51 121.11 3is7 h ILE 141 Ca 0.13 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3is7 h ILE 141 Cb 0.57 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3is7 h ILE 141 CO 0.04 0.16 -0.22 1.56 0.00 0.00 0.00 178.15 179.69 3is7 h GLN 142 N 0.90 0.79 -0.11 2.37 1.08 -1.32 0.01 115.11 118.83 3is7 h GLN 142 Ca 0.46 -0.37 -0.23 0.00 -1.45 0.00 0.00 58.65 57.06 3is7 h GLN 142 Cb 0.44 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3is7 h GLN 142 CO -0.26 0.99 -0.83 0.87 -0.95 0.00 0.00 178.83 178.65 3is7 h LYS 143 N 0.59 0.72 -0.00 1.46 1.57 -0.36 -3.33 116.57 117.21 3is7 h LYS 143 Ca 0.08 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3is7 h LYS 143 Cb 0.78 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3is7 h LYS 143 CO 0.06 1.23 -0.52 1.33 -0.57 0.00 0.00 179.45 180.98 3is7 n VAL 144 N -3.90 0.00 0.00 0.50 0.24 0.64 -5.09 118.33 110.73 3is7 n VAL 144 Ca -0.08 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3is7 n VAL 144 Cb 0.77 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 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 1.24 -0.63 0.23 7.63 0.00 -0.01 -4.45 105.19 109.20 3is7 n GLY 145 Ca 0.03 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 0.80 -0.39 0.99 5.85 -1.90 -0.67 115.31 119.98 3is7 h LEU 146 Ca 0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3is7 h LEU 146 Cb 0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3is7 h LEU 146 CO 0.00 1.02 0.26 -0.33 -0.34 0.00 0.00 178.44 179.04 3is7 h GLU 147 N 0.58 0.52 -0.42 1.25 5.08 -1.93 -1.02 114.58 118.63 3is7 h GLU 147 Ca 0.09 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3is7 h GLU 147 Cb 0.71 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3is7 h GLU 147 CO 0.05 0.36 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.46 3is7 h ASN 148 N 0.53 0.69 -0.49 1.42 2.35 -1.76 -0.97 115.58 117.34 3is7 h ASN 148 Ca 0.14 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3is7 h ASN 148 Cb -0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3is7 h ASN 148 CO -0.03 0.79 0.18 0.22 -1.65 0.00 0.00 177.43 176.94 3is7 h TYR 149 N 0.66 0.77 -0.26 1.19 3.20 -0.47 -1.15 116.97 120.91 3is7 h TYR 149 Ca 0.13 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3is7 h TYR 149 Cb 0.49 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3is7 h TYR 149 CO 0.02 0.65 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.09 3is7 h LEU 150 N 0.66 0.48 -0.73 2.82 3.38 -1.13 -2.97 115.31 117.82 3is7 h LEU 150 Ca 0.16 -0.35 0.15 0.00 0.09 0.00 0.00 57.88 57.94 3is7 h LEU 150 Cb 0.23 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 3is7 h LEU 150 CO -0.01 0.71 0.21 -0.61 0.09 0.00 0.00 178.44 178.83 3is7 h GLN 151 N 0.24 0.30 0.00 1.13 4.15 -1.09 0.21 115.11 120.06 3is7 h GLN 151 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3is7 h GLN 151 Cb 0.49 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3is7 h GLN 151 CO 0.02 0.20 0.00 0.43 -1.93 0.00 0.00 178.83 177.55 3is7 n SER 152 N -5.12 0.00 -0.44 -0.69 7.64 -0.44 -2.17 113.62 112.41 3is7 n SER 152 Ca 0.14 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.39 3is7 n SER 152 Cb 0.44 -0.40 0.13 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.40 0.37 0.14 1.43 8.25 0.72 -4.69 115.22 120.03 3is7 n HIS 153 Ca 0.05 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.74 3is7 n HIS 153 Cb 0.13 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 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 1.16 -0.34 -5.71 -0.41 2.86 -1.14 -1.42 114.93 109.93 3is7 h MET 154 Ca 0.00 0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 57.06 3is7 h MET 154 Cb 0.84 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.50 3is7 h MET 154 CO 0.04 -0.03 -0.28 -1.01 1.06 0.00 0.00 176.91 176.69 3is7 s HIS 155 N -4.78 3.57 -2.00 -0.22 3.76 -1.26 -1.68 115.29 112.68 3is7 s HIS 155 Ca -0.14 0.75 0.07 0.00 -0.15 0.00 0.00 55.06 55.59 3is7 s HIS 155 Cb 0.02 -2.30 0.43 0.00 1.11 0.00 0.00 32.58 31.85 3is7 s HIS 155 CO 0.57 0.43 0.89 0.39 -0.85 0.00 0.00 174.74 176.17