#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is7 s GLY 3 N 0.00 1.73 0.21 0.72 0.00 -0.04 -5.00 107.32 104.94 3is7 s GLY 3 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 44.72 43.23 3is7 s GLY 3 CO 0.00 -0.56 1.51 -0.35 0.00 0.00 0.00 173.10 173.69 3is7 s ASP 4 N -4.74 6.61 0.23 1.64 2.15 -1.26 -4.92 116.67 116.38 3is7 s ASP 4 Ca 0.68 2.65 -0.08 0.00 0.43 0.00 0.00 52.55 56.22 3is7 s ASP 4 Cb -0.07 -2.61 0.20 0.00 -0.30 0.00 0.00 42.92 40.15 3is7 s ASP 4 CO 0.49 -0.77 1.90 0.50 -0.17 0.00 0.00 175.17 177.12 3is7 h LYS 5 N 5.91 1.14 -0.23 4.34 3.64 -1.98 -1.52 116.57 127.88 3is7 h LYS 5 Ca -0.44 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 58.69 3is7 h LYS 5 Cb 1.21 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3is7 h LYS 5 CO 0.85 0.76 -0.57 0.87 -2.27 0.00 0.00 179.45 179.08 3is7 h LYS 6 N 1.17 0.72 -0.29 1.90 1.57 -1.99 -1.37 116.57 118.28 3is7 h LYS 6 Ca 0.32 -0.47 0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3is7 h LYS 6 Cb -0.13 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.16 3is7 h LYS 6 CO -0.07 1.09 -0.29 0.28 -0.57 0.00 0.00 179.45 179.89 3is7 h VAL 7 N 0.54 0.31 -0.95 0.50 2.07 -1.89 0.14 116.25 116.97 3is7 h VAL 7 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3is7 h VAL 7 Cb 1.15 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3is7 h VAL 7 CO 0.12 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.71 3is7 h ILE 8 N -0.27 1.07 -0.49 4.57 2.04 -0.95 0.27 117.51 123.74 3is7 h ILE 8 Ca 0.15 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3is7 h ILE 8 Cb 0.51 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3is7 h ILE 8 CO -0.45 0.20 0.19 1.56 0.00 0.00 0.00 178.15 179.65 3is7 h GLN 9 N 1.10 0.74 -0.36 2.37 4.20 -0.58 0.35 115.11 122.93 3is7 h GLN 9 Ca 0.41 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3is7 h GLN 9 Cb 0.17 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3is7 h GLN 9 CO -0.17 0.67 0.17 0.45 -0.67 0.00 0.00 178.83 179.28 3is7 h HIS 10 N 0.66 0.52 -0.64 2.96 3.86 0.43 -0.78 115.15 122.16 3is7 h HIS 10 Ca 0.16 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3is7 h HIS 10 Cb 0.22 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 3is7 h HIS 10 CO 0.01 0.45 0.35 -0.07 0.86 0.00 0.00 177.93 179.53 3is7 h LEU 11 N 0.44 0.52 -1.48 2.43 3.38 -0.26 0.43 115.31 120.77 3is7 h LEU 11 Ca 0.12 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3is7 h LEU 11 Cb 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3is7 h LEU 11 CO -0.01 0.34 -0.27 0.78 0.09 0.00 0.00 178.44 179.37 3is7 h ASN 12 N 0.66 0.00 0.11 -0.43 2.35 -0.75 0.45 115.58 117.97 3is7 h ASN 12 Ca 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 3is7 h ASN 12 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3is7 h ASN 12 CO -0.17 0.27 -0.05 0.50 -1.65 0.00 0.00 177.43 176.32 3is7 h LYS 13 N 0.00 -0.14 -1.00 0.81 3.64 0.53 0.10 116.57 120.50 3is7 h LYS 13 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3is7 h LYS 13 Cb 0.49 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3is7 h LYS 13 CO 0.03 0.15 0.65 0.82 -2.27 0.00 0.00 179.45 178.83 3is7 h ILE 14 N -0.43 1.11 -0.73 2.00 1.08 -0.66 -1.35 117.51 118.52 3is7 h ILE 14 Ca -0.02 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 3is7 h ILE 14 Cb 0.36 -0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 33.87 3is7 h ILE 14 CO 0.03 0.22 0.43 0.25 -0.69 0.00 0.00 178.15 178.39 3is7 h LEU 15 N 1.20 0.89 -0.69 1.44 5.85 -0.64 -0.71 115.31 122.66 3is7 h LEU 15 Ca 0.42 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.12 3is7 h LEU 15 Cb 0.12 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3is7 h LEU 15 CO -0.16 0.70 0.41 1.23 -0.34 0.00 0.00 178.44 180.28 3is7 h GLY 16 N 1.00 1.00 1.03 3.75 0.00 0.07 -0.67 103.07 109.26 3is7 h GLY 16 Ca 0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3is7 h GLY 16 CO -0.05 0.22 0.35 3.43 0.00 0.00 0.00 176.54 180.49 3is7 h ASN 17 N 0.78 1.05 -0.75 0.19 2.35 -0.19 -2.71 115.58 116.29 3is7 h ASN 17 Ca 0.29 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3is7 h ASN 17 Cb 0.11 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3is7 h ASN 17 CO -0.14 0.91 0.34 -0.33 -1.65 0.00 0.00 177.43 176.56 3is7 h GLU 18 N 1.12 1.10 -0.67 0.81 4.39 -0.89 -1.19 114.58 119.26 3is7 h GLU 18 Ca 0.27 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.81 3is7 h GLU 18 Cb 0.16 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3is7 h GLU 18 CO -0.03 0.87 0.44 -0.07 -1.16 0.00 0.00 179.01 179.07 3is7 h LEU 19 N 1.07 0.74 -0.05 1.33 3.38 -0.96 0.30 115.31 121.13 3is7 h LEU 19 Ca 0.26 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3is7 h LEU 19 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3is7 h LEU 19 CO -0.03 0.53 -0.11 0.40 0.09 0.00 0.00 178.44 179.32 3is7 h ILE 20 N 0.87 1.43 -0.96 1.22 2.04 -1.22 -2.86 117.51 118.04 3is7 h ILE 20 Ca 0.25 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.70 3is7 h ILE 20 Cb -0.05 2.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 3is7 h ILE 20 CO -0.06 0.40 0.62 0.00 0.00 0.00 0.00 178.15 179.11 3is7 h ALA 21 N 0.46 1.27 -0.25 1.87 0.00 -0.54 -0.97 119.26 121.09 3is7 h ALA 21 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3is7 h ALA 21 Cb 0.70 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3is7 h ALA 21 CO 0.02 0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.54 3is7 h ILE 22 N 1.20 0.77 -0.52 0.00 2.04 -0.38 0.11 117.51 120.72 3is7 h ILE 22 Ca 0.38 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 66.11 3is7 h ILE 22 Cb 0.02 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3is7 h ILE 22 CO -0.13 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.65 3is7 h ASN 23 N 0.02 1.04 -0.05 1.72 4.21 -1.26 -1.60 115.58 119.66 3is7 h ASN 23 Ca 0.12 -0.37 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 3is7 h ASN 23 Cb 0.18 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 3is7 h ASN 23 CO -0.24 1.17 -0.01 -0.61 -1.29 0.00 0.00 177.43 176.45 3is7 h GLN 24 N 0.89 0.09 -0.62 0.81 4.15 -0.70 -1.47 115.11 118.26 3is7 h GLN 24 Ca 0.13 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 3is7 h GLN 24 Cb 0.74 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 3is7 h GLN 24 CO 0.06 0.43 0.26 1.88 -1.93 0.00 0.00 178.83 179.53 3is7 h TYR 25 N -0.26 0.89 -0.38 3.99 0.05 -0.88 0.01 116.97 120.39 3is7 h TYR 25 Ca 0.01 -0.05 -0.16 0.00 0.05 0.00 0.00 58.73 58.59 3is7 h TYR 25 Cb 0.40 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3is7 h TYR 25 CO 0.05 0.68 -0.38 0.35 -1.05 0.00 0.00 178.16 177.82 3is7 h PHE 26 N 0.88 1.12 -0.20 4.88 3.04 -1.08 -0.05 116.94 125.53 3is7 h PHE 26 Ca 0.21 -0.34 -0.03 0.00 3.98 0.00 0.00 57.97 61.79 3is7 h PHE 26 Cb 0.16 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3is7 h PHE 26 CO 0.01 1.16 0.01 1.25 -2.02 0.00 0.00 178.31 178.73 3is7 h LEU 27 N 0.75 0.34 -1.06 0.59 5.85 -1.13 -1.61 115.31 119.04 3is7 h LEU 27 Ca 0.06 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3is7 h LEU 27 Cb 0.98 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 3is7 h LEU 27 CO 0.09 0.55 0.63 0.45 -0.34 0.00 0.00 178.44 179.83 3is7 h HIS 28 N 0.12 1.15 -0.45 1.25 3.86 -0.83 -0.63 115.15 119.63 3is7 h HIS 28 Ca 0.06 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3is7 h HIS 28 Cb 0.37 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3is7 h HIS 28 CO 0.03 0.61 0.27 1.03 0.86 0.00 0.00 177.93 180.72 3is7 h SER 29 N 1.14 0.55 0.33 2.45 0.87 -0.69 0.11 113.55 118.31 3is7 h SER 29 Ca 0.41 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 3is7 h SER 29 Cb 0.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3is7 h SER 29 CO -0.16 0.45 -0.41 0.03 -0.53 0.00 0.00 176.83 176.21 3is7 h ARG 30 N 0.59 0.11 -0.24 2.24 -0.00 -0.53 -0.60 114.38 115.95 3is7 h ARG 30 Ca 0.16 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.98 59.43 3is7 h ARG 30 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.98 3is7 h ARG 30 CO -0.03 0.51 -0.48 0.52 0.00 0.00 0.00 179.97 180.49 3is7 h MET 31 N 0.09 0.74 -0.63 0.04 2.86 -0.68 0.70 114.93 118.06 3is7 h MET 31 Ca 0.01 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3is7 h MET 31 Cb 0.77 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3is7 h MET 31 CO 0.06 1.11 0.39 -1.49 1.06 0.00 0.00 176.91 178.03 3is7 h TRP 32 N 0.47 0.83 -0.69 -0.22 6.55 -0.61 -1.92 115.95 120.36 3is7 h TRP 32 Ca 0.01 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 3is7 h TRP 32 Cb 1.09 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 29.08 3is7 h TRP 32 CO 0.08 0.56 0.41 -0.91 -1.05 0.00 0.00 178.44 177.53 3is7 h ASN 33 N 0.86 0.83 -0.89 -3.49 -0.26 -0.97 -0.58 115.58 111.07 3is7 h ASN 33 Ca 0.23 -0.07 0.14 0.00 -0.56 0.00 0.00 56.30 56.04 3is7 h ASN 33 Cb -0.03 -0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 36.95 3is7 h ASN 33 CO -0.04 0.65 0.58 -0.78 -1.06 0.00 0.00 177.43 176.78 3is7 h ASP 34 N 0.93 0.66 0.05 5.81 3.58 -0.51 -1.18 116.42 125.76 3is7 h ASP 34 Ca 0.24 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3is7 h ASP 34 Cb -0.02 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.94 3is7 h ASP 34 CO -0.04 0.33 -0.02 0.79 -2.88 0.00 0.00 179.24 177.41 3is7 n TRP 35 N -4.56 0.00 -1.04 0.28 8.01 -0.75 -4.91 117.44 114.46 3is7 n TRP 35 Ca 0.17 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.35 3is7 n TRP 35 Cb 0.47 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.31 29.73 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 1.13 0.51 2.63 6.99 0.00 -0.45 -4.95 105.19 111.06 3is7 n GLY 36 Ca 0.20 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.16 7.51 0.12 0.99 4.77 -0.27 -4.42 117.00 125.54 3is7 n LEU 37 Ca -0.01 -4.84 0.10 0.00 -0.03 0.00 0.00 56.01 51.22 3is7 n LEU 37 Cb 0.10 -1.39 0.59 0.00 -2.33 0.00 0.00 43.42 40.39 3is7 n LEU 37 CO 0.02 1.82 1.12 0.11 -1.33 0.00 0.00 177.39 179.14 3is7 h LYS 38 N 4.99 0.16 -0.27 3.23 1.57 -1.10 -1.42 116.57 123.73 3is7 h LYS 38 Ca 0.58 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 59.17 3is7 h LYS 38 Cb 0.42 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3is7 h LYS 38 CO 1.51 0.10 -0.54 -0.09 -0.57 0.00 0.00 179.45 179.87 3is7 h ARG 39 N 0.16 0.79 -0.40 3.15 2.43 -1.45 -0.77 114.38 118.30 3is7 h ARG 39 Ca 0.11 -0.50 -0.11 0.00 -0.81 0.00 0.00 59.98 58.67 3is7 h ARG 39 Cb 0.24 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3is7 h ARG 39 CO -0.02 1.12 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.32 3is7 h LEU 40 N 0.61 0.85 -0.39 3.80 3.38 -1.51 -2.62 115.31 119.42 3is7 h LEU 40 Ca 0.02 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.67 3is7 h LEU 40 Cb 1.13 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 3is7 h LEU 40 CO 0.12 1.06 -0.15 1.23 0.09 0.00 0.00 178.44 180.78 3is7 h GLY 41 N 0.63 0.19 0.90 0.83 0.00 -1.19 -0.69 103.07 103.73 3is7 h GLY 41 Ca 0.09 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3is7 h GLY 41 CO 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 176.54 176.47 3is7 h ALA 42 N 1.27 0.43 -0.69 3.60 0.00 -1.12 -1.00 119.26 121.74 3is7 h ALA 42 Ca 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3is7 h ALA 42 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3is7 h ALA 42 CO -0.44 0.13 0.23 1.25 0.00 0.00 0.00 179.25 180.41 3is7 h HIS 43 N 0.36 1.10 -0.40 0.00 6.17 -1.29 -1.64 115.15 119.47 3is7 h HIS 43 Ca 0.10 -0.11 -0.14 0.00 0.71 0.00 0.00 60.37 60.93 3is7 h HIS 43 Cb 0.35 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 3is7 h HIS 43 CO 0.02 0.88 -0.31 1.49 0.71 0.00 0.00 177.93 180.72 3is7 h GLU 44 N 1.01 0.88 -0.46 5.26 4.57 -1.03 -0.86 114.58 123.95 3is7 h GLU 44 Ca 0.23 -0.42 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3is7 h GLU 44 Cb 0.28 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.80 3is7 h GLU 44 CO -0.01 1.06 0.10 -0.92 -1.18 0.00 0.00 179.01 178.07 3is7 h TYR 45 N 0.74 0.17 -0.39 0.92 3.20 -0.87 -0.59 116.97 120.15 3is7 h TYR 45 Ca 0.08 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3is7 h TYR 45 Cb 0.88 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3is7 h TYR 45 CO 0.05 0.02 -0.03 0.45 -1.64 0.00 0.00 178.16 177.01 3is7 h HIS 46 N 0.24 0.67 -0.29 -3.82 3.86 -0.87 -0.99 115.15 113.95 3is7 h HIS 46 Ca 0.22 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3is7 h HIS 46 Cb 0.28 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3is7 h HIS 46 CO -0.21 0.66 0.18 0.93 0.86 0.00 0.00 177.93 180.36 3is7 h GLU 47 N 0.60 0.39 -0.45 2.45 4.39 -0.45 -0.82 114.58 120.69 3is7 h GLU 47 Ca 0.12 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.86 3is7 h GLU 47 Cb 0.42 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 3is7 h GLU 47 CO 0.02 0.28 0.12 1.03 -1.16 0.00 0.00 179.01 179.30 3is7 h SER 48 N 0.38 0.07 -0.68 1.42 0.87 -0.62 -2.12 113.55 112.87 3is7 h SER 48 Ca 0.11 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3is7 h SER 48 Cb -0.01 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 3is7 h SER 48 CO -0.02 0.07 0.44 0.40 -0.53 0.00 0.00 176.83 177.19 3is7 h ILE 49 N 0.26 1.13 -1.00 2.23 1.08 -0.98 0.04 117.51 120.27 3is7 h ILE 49 Ca 0.22 -0.30 0.04 0.00 -0.39 0.00 0.00 64.86 64.42 3is7 h ILE 49 Cb 0.25 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 3is7 h ILE 49 CO -0.26 0.16 0.66 0.44 -0.69 0.00 0.00 178.15 178.46 3is7 h ASP 50 N 0.87 1.09 -0.33 1.72 3.32 -0.72 -1.21 116.42 121.17 3is7 h ASP 50 Ca 0.26 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 3is7 h ASP 50 Cb -0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3is7 h ASP 50 CO -0.08 0.75 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.68 3is7 h GLU 51 N 1.27 0.79 -0.90 3.56 4.39 -0.88 -2.26 114.58 120.55 3is7 h GLU 51 Ca 0.40 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 59.85 3is7 h GLU 51 Cb 0.00 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3is7 h GLU 51 CO -0.12 0.91 0.59 0.52 -1.16 0.00 0.00 179.01 179.74 3is7 h MET 52 N 0.70 1.05 -0.33 2.33 2.86 0.04 -0.72 114.93 120.86 3is7 h MET 52 Ca 0.11 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 3is7 h MET 52 Cb 0.68 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3is7 h MET 52 CO 0.05 0.70 -0.39 0.87 1.06 0.00 0.00 176.91 179.20 3is7 h LYS 53 N 1.08 0.80 -0.77 1.72 1.57 -0.97 -1.83 116.57 118.17 3is7 h LYS 53 Ca 0.37 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3is7 h LYS 53 Cb 0.09 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3is7 h LYS 53 CO -0.12 1.05 0.41 0.45 -0.57 0.00 0.00 179.45 180.66 3is7 h HIS 54 N 0.65 1.06 -0.68 -1.35 3.86 -1.02 -2.14 115.15 115.54 3is7 h HIS 54 Ca 0.05 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3is7 h HIS 54 Cb 0.95 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 3is7 h HIS 54 CO 0.05 0.75 0.21 0.00 0.86 0.00 0.00 177.93 179.81 3is7 h ALA 55 N 1.21 0.89 -0.32 2.45 0.00 -1.03 -2.05 119.26 120.41 3is7 h ALA 55 Ca 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3is7 h ALA 55 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3is7 h ALA 55 CO -0.04 0.57 0.13 0.22 0.00 0.00 0.00 179.25 180.13 3is7 h ASP 56 N 1.00 0.18 0.04 0.00 3.58 -1.04 -1.33 116.42 118.85 3is7 h ASP 56 Ca 0.22 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 3is7 h ASP 56 Cb 0.30 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 3is7 h ASP 56 CO -0.01 0.14 -0.16 0.11 -2.88 0.00 0.00 179.24 176.44 3is7 h LYS 57 N 0.29 0.26 -0.32 0.28 1.57 -0.95 -0.75 116.57 116.95 3is7 h LYS 57 Ca 0.14 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3is7 h LYS 57 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3is7 h LYS 57 CO -0.12 0.42 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.94 3is7 h LEU 58 N 0.24 0.71 -0.75 2.94 3.38 -1.12 -1.71 115.31 119.00 3is7 h LEU 58 Ca 0.05 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 3is7 h LEU 58 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3is7 h LEU 58 CO 0.03 0.97 0.29 0.40 0.09 0.00 0.00 178.44 180.22 3is7 h ILE 59 N 0.45 1.26 -0.39 1.22 2.04 -0.80 0.25 117.51 121.53 3is7 h ILE 59 Ca 0.07 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3is7 h ILE 59 Cb 0.72 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3is7 h ILE 59 CO 0.05 0.33 -0.04 -0.33 0.00 0.00 0.00 178.15 178.17 3is7 h GLU 60 N 1.09 0.71 -0.41 2.37 5.08 -1.10 -2.28 114.58 120.04 3is7 h GLU 60 Ca 0.25 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3is7 h GLU 60 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3is7 h GLU 60 CO -0.02 0.82 0.03 -0.09 -1.00 0.00 0.00 179.01 178.75 3is7 h ARG 61 N 0.53 0.70 -0.36 2.33 9.65 -0.96 -1.54 114.38 124.73 3is7 h ARG 61 Ca 0.11 -0.21 0.07 0.00 -1.10 0.00 0.00 59.98 58.84 3is7 h ARG 61 Cb 0.53 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.98 3is7 h ARG 61 CO 0.03 0.77 -0.00 0.82 2.80 0.00 0.00 179.97 184.38 3is7 h ILE 62 N 0.54 0.73 -0.69 1.20 2.04 -0.91 -0.55 117.51 119.86 3is7 h ILE 62 Ca 0.12 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3is7 h ILE 62 Cb 0.43 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3is7 h ILE 62 CO 0.02 0.02 0.30 -0.07 0.00 0.00 0.00 178.15 178.42 3is7 h LEU 63 N 0.10 0.91 -0.68 1.44 -0.00 -1.31 -1.22 115.31 114.56 3is7 h LEU 63 Ca 0.18 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3is7 h LEU 63 Cb 0.25 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 3is7 h LEU 63 CO -0.30 0.80 0.41 0.15 -0.00 0.00 0.00 178.44 179.49 3is7 h PHE 64 N 0.99 0.89 0.00 1.13 3.57 -0.51 -1.36 116.94 121.65 3is7 h PHE 64 Ca 0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3is7 h PHE 64 Cb 0.15 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3is7 h PHE 64 CO 0.01 0.60 0.00 1.28 -2.23 0.00 0.00 178.31 177.98 3is7 n LEU 65 N -4.56 0.00 -2.16 0.59 4.77 -0.29 -4.89 117.00 110.46 3is7 n LEU 65 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 3is7 n LEU 65 Cb 0.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3is7 n LEU 65 CO 0.37 0.00 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.74 3is7 n GLU 66 N -0.71 -2.88 -1.92 3.23 1.02 -0.51 -0.86 120.64 117.99 3is7 n GLU 66 Ca 0.10 0.72 -0.13 0.00 -0.02 0.00 0.00 57.16 57.83 3is7 n GLU 66 Cb 0.04 -5.12 0.06 0.00 -0.02 0.00 0.00 31.44 26.41 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 -1.23 1.14 3.14 0.62 0.00 -0.56 -4.90 105.19 103.40 3is7 n GLY 67 Ca -0.12 -2.07 -0.34 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 3.95 0.31 0.99 1.43 -1.26 -4.43 118.68 119.67 3is7 s LEU 68 Ca 0.38 -1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 3is7 s LEU 68 Cb -0.02 -1.68 -0.11 0.00 0.03 0.00 0.00 46.19 44.41 3is7 s LEU 68 CO 0.25 -0.27 1.46 -2.84 0.23 0.00 0.00 176.35 175.17 3is7 s PRO 69 N 1.19 4.21 -0.46 1.29 0.02 -1.26 -4.95 135.00 135.04 3is7 s PRO 69 Ca -0.04 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.24 3is7 s PRO 69 Cb -0.20 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.34 3is7 s PRO 69 CO -0.03 -0.44 0.38 1.21 -0.33 0.00 0.00 177.00 177.79 3is7 s ASN 70 N 0.07 6.13 -0.05 2.53 3.84 -1.26 -4.87 114.94 121.34 3is7 s ASN 70 Ca 0.56 -1.27 0.11 0.00 0.21 0.00 0.00 52.86 52.47 3is7 s ASN 70 Cb -0.44 -2.18 0.33 0.00 -0.55 0.00 0.00 41.25 38.42 3is7 s ASN 70 CO 0.52 -0.62 1.27 0.18 -2.79 0.00 0.00 177.10 175.66 3is7 n LEU 71 N 5.19 3.06 0.03 3.21 4.32 -1.26 -4.55 117.00 127.00 3is7 n LEU 71 Ca -0.12 -2.30 0.02 0.00 -0.02 0.00 0.00 56.01 53.59 3is7 n LEU 71 Cb 0.44 -0.30 -0.08 0.00 -1.62 0.00 0.00 43.42 41.86 3is7 n LEU 71 CO 0.46 0.69 -0.34 1.67 -1.22 0.00 0.00 177.39 178.66 3is7 n GLN 72 N 0.08 0.63 -3.62 3.23 -0.06 -1.26 -4.84 117.38 111.53 3is7 n GLN 72 Ca 0.13 0.16 -0.39 0.00 -2.00 0.00 0.00 57.00 54.90 3is7 n GLN 72 Cb 0.54 -1.77 -0.11 0.00 -4.06 0.00 0.00 30.24 24.83 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 -5.61 5.66 -0.31 1.69 1.01 -1.26 -5.02 116.67 112.83 3is7 s ASP 73 Ca -0.03 -0.59 -0.03 0.00 0.71 0.00 0.00 52.55 52.61 3is7 s ASP 73 Cb 0.09 -2.03 0.05 0.00 1.01 0.00 0.00 42.92 42.04 3is7 s ASP 73 CO 0.82 -0.23 0.04 -0.22 0.21 0.00 0.00 175.17 175.78 3is7 s LEU 74 N 1.62 4.04 0.00 1.23 2.96 -1.26 -4.87 118.68 122.40 3is7 s LEU 74 Ca 0.04 -1.22 0.00 0.00 -0.22 0.00 0.00 54.13 52.73 3is7 s LEU 74 Cb -0.17 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3is7 s LEU 74 CO 0.07 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3is7 n GLY 75 N 4.69 -2.69 3.69 7.98 0.00 -1.26 -4.96 105.19 112.64 3is7 n GLY 75 Ca -0.13 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.19 4.24 0.05 1.61 2.47 -1.26 -4.94 119.74 120.73 3is7 s LYS 76 Ca 0.00 0.35 -0.30 0.00 -1.56 0.00 0.00 55.97 54.46 3is7 s LYS 76 Cb 0.00 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 32.82 3is7 s LYS 76 CO 0.00 0.00 1.02 -0.51 0.16 0.00 0.00 175.35 176.02 3is7 s LEU 77 N 1.15 4.42 -0.63 5.43 1.02 -1.26 -5.00 118.68 123.81 3is7 s LEU 77 Ca 0.23 1.78 -0.18 0.00 0.02 0.00 0.00 54.13 55.98 3is7 s LEU 77 Cb -0.15 -3.58 0.12 0.00 0.02 0.00 0.00 46.19 42.60 3is7 s LEU 77 CO 0.09 -0.23 0.73 -0.76 0.02 0.00 0.00 176.35 176.19 3is7 s LEU 78 N 0.63 5.53 -0.32 1.79 1.43 -1.26 -5.04 118.68 121.45 3is7 s LEU 78 Ca 0.51 -1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 3is7 s LEU 78 Cb -0.24 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3is7 s LEU 78 CO 0.29 -1.05 0.22 -0.63 0.23 0.00 0.00 176.35 175.41 3is7 s ILE 79 N 2.42 5.26 0.70 -0.59 -1.09 -1.26 -4.67 121.20 121.96 3is7 s ILE 79 Ca 0.13 -0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.37 3is7 s ILE 79 Cb -0.22 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3is7 s ILE 79 CO 0.04 0.09 1.06 -0.83 -1.23 0.00 0.00 174.94 174.07 3is7 s GLY 80 N 1.73 1.62 0.00 6.18 0.00 -1.26 -4.99 107.32 110.60 3is7 s GLY 80 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.22 3is7 s GLY 80 CO 0.10 -0.20 0.67 -1.84 0.00 0.00 0.00 173.10 171.83 3is7 n GLU 81 N -2.97 0.03 -4.21 2.90 0.28 -1.26 -4.76 120.64 110.64 3is7 n GLU 81 Ca 0.07 -0.83 -0.18 0.00 -0.16 0.00 0.00 57.16 56.06 3is7 n GLU 81 Cb 0.59 -1.05 -0.06 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.35 1.52 0.12 -1.84 2.20 -1.26 -5.04 114.94 110.29 3is7 s ASN 82 Ca 0.03 -1.70 -0.18 0.00 -0.94 0.00 0.00 52.86 50.07 3is7 s ASN 82 Cb 0.02 0.62 -0.04 0.00 -2.00 0.00 0.00 41.25 39.84 3is7 s ASN 82 CO 0.03 -1.18 1.71 0.74 -2.94 0.00 0.00 177.10 175.45 3is7 h THR 83 N 2.09 1.14 -0.62 0.54 2.02 -1.99 0.98 112.91 117.06 3is7 h THR 83 Ca -0.26 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 3is7 h THR 83 Cb 1.23 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3is7 h THR 83 CO 0.36 0.14 0.16 1.56 0.37 0.00 0.00 175.52 178.11 3is7 h GLN 84 N 0.34 0.97 -0.43 6.66 7.50 -2.00 -1.45 115.11 126.70 3is7 h GLN 84 Ca 0.10 -0.21 -0.12 0.00 0.50 0.00 0.00 58.65 58.92 3is7 h GLN 84 Cb 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 3is7 h GLN 84 CO -0.01 0.86 -0.20 0.93 -1.50 0.00 0.00 178.83 178.90 3is7 h GLU 85 N 0.93 0.90 -0.51 1.46 5.08 -1.85 -2.37 114.58 118.22 3is7 h GLU 85 Ca 0.20 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3is7 h GLU 85 Cb 0.32 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3is7 h GLU 85 CO -0.00 1.04 0.27 0.52 -1.00 0.00 0.00 179.01 179.84 3is7 h MET 86 N 0.72 0.71 -0.65 2.33 2.86 -0.36 0.23 114.93 120.78 3is7 h MET 86 Ca 0.10 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3is7 h MET 86 Cb 0.77 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3is7 h MET 86 CO 0.06 0.56 0.27 -0.07 1.06 0.00 0.00 176.91 178.79 3is7 h LEU 87 N 0.68 0.89 -0.78 1.22 3.38 -1.26 -1.22 115.31 118.22 3is7 h LEU 87 Ca 0.18 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3is7 h LEU 87 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3is7 h LEU 87 CO -0.03 0.81 0.21 -0.61 0.09 0.00 0.00 178.44 178.91 3is7 h GLN 88 N 0.91 1.13 -0.54 1.13 5.75 -1.17 -0.67 115.11 121.65 3is7 h GLN 88 Ca 0.22 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3is7 h GLN 88 Cb 0.19 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3is7 h GLN 88 CO -0.02 0.97 0.25 0.00 -2.65 0.00 0.00 178.83 177.38 3is7 h ASP 90 N 0.73 0.79 -0.53 0.00 3.32 -1.10 -1.68 116.42 117.95 3is7 h ASP 90 Ca 0.18 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3is7 h ASP 90 Cb 0.15 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3is7 h ASP 90 CO -0.02 0.58 0.17 0.25 -1.72 0.00 0.00 179.24 178.50 3is7 h LEU 91 N 0.93 0.76 -0.91 1.55 5.85 -0.60 -1.78 115.31 121.11 3is7 h LEU 91 Ca 0.25 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3is7 h LEU 91 Cb -0.10 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 3is7 h LEU 91 CO -0.05 0.76 0.51 0.78 -0.34 0.00 0.00 178.44 180.10 3is7 h ASN 92 N 0.73 1.12 -0.61 1.25 2.35 -0.67 -0.43 115.58 119.31 3is7 h ASN 92 Ca 0.17 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3is7 h ASN 92 Cb 0.26 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3is7 h ASN 92 CO -0.01 0.89 0.18 0.25 -1.65 0.00 0.00 177.43 177.08 3is7 h LEU 93 N 1.26 0.91 -0.68 1.61 5.85 -0.89 -2.54 115.31 120.84 3is7 h LEU 93 Ca 0.32 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 3is7 h LEU 93 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3is7 h LEU 93 CO -0.05 0.89 -0.54 -0.33 -0.34 0.00 0.00 178.44 178.06 3is7 h GLU 94 N 0.88 0.34 -0.47 1.25 4.39 -0.80 0.46 114.58 120.63 3is7 h GLU 94 Ca 0.20 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3is7 h GLU 94 Cb 0.32 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3is7 h GLU 94 CO -0.00 0.79 0.29 -0.07 -1.16 0.00 0.00 179.01 178.86 3is7 h LEU 95 N 0.26 0.56 -0.60 1.33 3.38 -0.94 -1.14 115.31 118.17 3is7 h LEU 95 Ca 0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3is7 h LEU 95 Cb 1.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3is7 h LEU 95 CO 0.09 0.44 0.08 0.50 0.09 0.00 0.00 178.44 179.64 3is7 h LYS 96 N 0.63 1.00 -0.67 1.13 1.63 -1.17 -2.47 116.57 116.66 3is7 h LYS 96 Ca 0.17 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 3is7 h LYS 96 Cb -0.03 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 3is7 h LYS 96 CO -0.03 0.95 0.28 0.00 -3.45 0.00 0.00 179.45 177.20 3is7 h ALA 97 N 1.01 1.24 -0.33 5.00 0.00 -0.66 -1.92 119.26 123.60 3is7 h ALA 97 Ca 0.18 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3is7 h ALA 97 Cb 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3is7 h ALA 97 CO 0.01 0.56 -0.42 1.15 0.00 0.00 0.00 179.25 180.56 3is7 h THR 98 N 0.96 1.28 -0.31 0.00 2.02 -1.18 -0.92 112.91 114.75 3is7 h THR 98 Ca 0.23 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 3is7 h THR 98 Cb 0.16 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3is7 h THR 98 CO -0.02 0.52 0.13 0.50 0.37 0.00 0.00 175.52 177.02 3is7 h LYS 99 N 0.67 0.45 -0.87 6.66 3.64 -1.22 -2.62 116.57 123.28 3is7 h LYS 99 Ca 0.04 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3is7 h LYS 99 Cb 1.01 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 3is7 h LYS 99 CO 0.10 0.46 0.54 -0.44 -2.27 0.00 0.00 179.45 177.83 3is7 h ASP 100 N 0.35 1.04 -0.57 4.20 3.32 -1.22 -2.39 116.42 121.15 3is7 h ASP 100 Ca 0.10 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3is7 h ASP 100 Cb 0.17 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3is7 h ASP 100 CO -0.01 0.79 0.35 -0.07 -1.72 0.00 0.00 179.24 178.58 3is7 h LEU 101 N 1.19 0.56 -0.37 1.55 4.07 -1.12 0.44 115.31 121.63 3is7 h LEU 101 Ca 0.31 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.30 3is7 h LEU 101 Cb -0.07 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 3is7 h LEU 101 CO -0.06 0.39 0.20 0.03 -1.08 0.00 0.00 178.44 177.92 3is7 h ARG 102 N 0.68 0.40 -0.53 1.13 3.08 -1.31 0.07 114.38 117.91 3is7 h ARG 102 Ca 0.23 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3is7 h ARG 102 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3is7 h ARG 102 CO -0.10 0.26 0.05 0.93 -1.07 0.00 0.00 179.97 180.04 3is7 h GLU 103 N 0.41 0.85 -0.27 0.04 5.08 -0.97 -1.67 114.58 118.05 3is7 h GLU 103 Ca 0.15 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3is7 h GLU 103 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3is7 h GLU 103 CO -0.09 0.82 -0.22 0.00 -1.00 0.00 0.00 179.01 178.52 3is7 h ALA 104 N 1.25 1.12 -0.20 3.43 0.00 -0.41 -2.34 119.26 122.10 3is7 h ALA 104 Ca 0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3is7 h ALA 104 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3is7 h ALA 104 CO 0.01 0.55 -0.36 0.82 0.00 0.00 0.00 179.25 180.27 3is7 h ILE 105 N 0.45 1.33 -0.43 0.00 2.04 -0.40 -2.41 117.51 118.08 3is7 h ILE 105 Ca 0.07 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.43 3is7 h ILE 105 Cb 0.63 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 3is7 h ILE 105 CO 0.04 0.49 -0.03 0.58 0.00 0.00 0.00 178.15 179.23 3is7 h VAL 106 N 0.28 0.64 -0.98 1.67 2.07 -1.23 -0.91 116.25 117.79 3is7 h VAL 106 Ca 0.01 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3is7 h VAL 106 Cb 0.95 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3is7 h VAL 106 CO 0.08 0.01 0.64 -0.74 0.02 0.00 0.00 177.57 177.58 3is7 h HIS 107 N 0.08 1.19 -0.32 1.57 -0.00 -1.17 -2.24 115.15 114.26 3is7 h HIS 107 Ca 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3is7 h HIS 107 Cb 0.32 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 3is7 h HIS 107 CO -0.31 0.66 0.15 0.00 -0.00 0.00 0.00 177.93 178.43 3is7 h GLU 109 N 0.38 0.30 -0.90 0.00 4.57 -0.95 -0.87 114.58 117.10 3is7 h GLU 109 Ca 0.11 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3is7 h GLU 109 Cb 0.12 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3is7 h GLU 109 CO -0.01 0.20 0.59 0.37 -1.18 0.00 0.00 179.01 178.98 3is7 h GLN 110 N 0.31 1.14 -0.54 1.92 4.15 -0.70 -1.93 115.11 119.46 3is7 h GLN 110 Ca 0.22 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3is7 h GLN 110 Cb 0.23 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3is7 h GLN 110 CO -0.23 0.75 0.00 1.33 -1.93 0.00 0.00 178.83 178.75 3is7 n VAL 111 N -4.49 0.76 -1.55 2.39 0.24 -0.61 -4.94 118.33 110.14 3is7 n VAL 111 Ca 0.11 -0.72 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 3is7 n VAL 111 Cb 0.06 0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.71 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 1.03 -0.13 -2.36 6.34 8.25 -0.42 -4.92 115.22 123.01 3is7 n HIS 112 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 3is7 n HIS 112 Cb 0.47 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.24 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 -0.04 5.07 0.26 0.41 -0.08 -0.70 -4.79 116.55 116.67 3is7 n ASP 113 Ca -0.13 -3.10 0.14 0.00 -1.51 0.00 0.00 54.79 50.20 3is7 n ASP 113 Cb 0.45 -1.49 0.69 0.00 2.34 0.00 0.00 41.12 43.11 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 5.85 0.00 -0.18 -0.67 0.05 -1.91 -2.23 116.97 117.88 3is7 h TYR 114 Ca 0.39 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.08 3is7 h TYR 114 Cb 0.65 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 3is7 h TYR 114 CO 1.25 0.11 -0.24 0.28 -1.05 0.00 0.00 178.16 178.51 3is7 h VAL 115 N 0.00 1.34 -0.84 -2.88 2.07 -1.97 -1.02 116.25 112.96 3is7 h VAL 115 Ca -0.00 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 3is7 h VAL 115 Cb 0.46 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3is7 h VAL 115 CO 0.01 0.44 0.49 0.28 0.02 0.00 0.00 177.57 178.81 3is7 h SER 116 N 0.12 1.01 0.07 0.57 0.02 -1.92 -1.82 113.55 111.60 3is7 h SER 116 Ca 0.02 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3is7 h SER 116 Cb 0.81 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3is7 h SER 116 CO 0.06 0.78 -0.08 -0.09 -1.14 0.00 0.00 176.83 176.36 3is7 h ARG 117 N 1.15 -0.16 -0.70 3.45 2.43 -1.07 -1.62 114.38 117.86 3is7 h ARG 117 Ca 0.30 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 3is7 h ARG 117 Cb -0.03 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.48 3is7 h ARG 117 CO -0.05 -0.11 0.33 0.22 -1.51 0.00 0.00 179.97 178.85 3is7 h ASP 118 N -0.17 0.39 -0.40 -3.80 3.58 -0.59 0.25 116.42 115.69 3is7 h ASP 118 Ca 0.01 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3is7 h ASP 118 Cb 0.17 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3is7 h ASP 118 CO -0.03 0.22 0.23 0.25 -2.88 0.00 0.00 179.24 177.03 3is7 h LEU 119 N 0.54 0.48 -0.56 2.28 6.46 -0.92 -2.17 115.31 121.42 3is7 h LEU 119 Ca 0.36 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.99 3is7 h LEU 119 Cb 0.42 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 3is7 h LEU 119 CO -0.30 0.40 0.09 -0.07 -0.62 0.00 0.00 178.44 177.94 3is7 h LEU 120 N 0.52 0.89 -1.31 2.25 3.38 -0.32 -1.36 115.31 119.35 3is7 h LEU 120 Ca 0.14 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3is7 h LEU 120 Cb 0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3is7 h LEU 120 CO -0.03 0.93 0.50 0.50 0.09 0.00 0.00 178.44 180.44 3is7 h LYS 121 N 0.82 0.83 -0.17 1.13 3.11 -0.28 0.11 116.57 122.12 3is7 h LYS 121 Ca 0.17 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.79 3is7 h LYS 121 Cb 0.42 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.45 3is7 h LYS 121 CO 0.01 0.55 -0.59 -0.44 -2.81 0.00 0.00 179.45 176.17 3is7 h ASP 122 N 0.86 0.63 -0.55 4.20 3.32 -0.75 -1.91 116.42 122.22 3is7 h ASP 122 Ca 0.32 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3is7 h ASP 122 Cb 0.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3is7 h ASP 122 CO -0.11 1.08 0.29 0.40 -1.72 0.00 0.00 179.24 179.18 3is7 h ILE 123 N 0.42 1.19 -0.55 0.35 2.04 -0.69 -2.63 117.51 117.64 3is7 h ILE 123 Ca -0.00 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3is7 h ILE 123 Cb 1.15 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3is7 h ILE 123 CO 0.11 0.21 0.19 0.25 0.00 0.00 0.00 178.15 178.90 3is7 h LEU 124 N 0.74 0.78 -0.64 1.44 5.85 -0.61 0.61 115.31 123.49 3is7 h LEU 124 Ca 0.19 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3is7 h LEU 124 Cb 0.07 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3is7 h LEU 124 CO -0.03 0.77 0.39 -0.08 -0.34 0.00 0.00 178.44 179.15 3is7 h GLU 125 N 0.75 0.73 -0.52 1.25 4.81 -1.24 0.73 114.58 121.09 3is7 h GLU 125 Ca 0.18 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3is7 h GLU 125 Cb 0.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3is7 h GLU 125 CO -0.01 0.48 0.25 1.03 -0.73 0.00 0.00 179.01 180.04 3is7 h SER 126 N 0.75 0.68 0.56 1.04 0.87 -1.08 -1.57 113.55 114.81 3is7 h SER 126 Ca 0.26 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 3is7 h SER 126 Cb 0.05 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3is7 h SER 126 CO -0.12 0.62 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.00 3is7 h GLU 127 N 0.70 0.00 -0.19 2.24 4.39 -0.26 -2.28 114.58 119.18 3is7 h GLU 127 Ca 0.18 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.77 3is7 h GLU 127 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3is7 h GLU 127 CO -0.02 0.47 -0.37 0.93 -1.16 0.00 0.00 179.01 178.87 3is7 h GLU 128 N 0.00 0.40 -0.52 2.33 5.08 -0.59 -1.76 114.58 119.52 3is7 h GLU 128 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3is7 h GLU 128 Cb 0.88 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3is7 h GLU 128 CO 0.06 0.72 0.34 0.93 -1.00 0.00 0.00 179.01 180.06 3is7 h GLU 129 N 0.34 0.69 -0.75 2.33 5.08 -0.77 0.72 114.58 122.23 3is7 h GLU 129 Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3is7 h GLU 129 Cb 0.80 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3is7 h GLU 129 CO 0.06 0.47 0.27 1.25 -1.00 0.00 0.00 179.01 180.06 3is7 h HIS 130 N 0.70 1.16 -0.69 4.33 2.76 -1.10 -0.53 115.15 121.78 3is7 h HIS 130 Ca 0.19 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 3is7 h HIS 130 Cb -0.07 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.52 3is7 h HIS 130 CO -0.04 0.90 0.20 0.82 -1.30 0.00 0.00 177.93 178.51 3is7 h ILE 131 N 1.10 1.25 -0.19 6.26 2.04 -0.92 0.15 117.51 127.20 3is7 h ILE 131 Ca 0.25 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.23 3is7 h ILE 131 Cb 0.25 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3is7 h ILE 131 CO -0.01 0.34 0.09 -0.78 0.00 0.00 0.00 178.15 177.79 3is7 h ASP 132 N 1.02 0.13 -0.00 1.72 3.58 0.10 -2.07 116.42 120.89 3is7 h ASP 132 Ca 0.22 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.71 3is7 h ASP 132 Cb 0.30 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 3is7 h ASP 132 CO -0.01 0.10 -0.19 0.22 -2.88 0.00 0.00 179.24 176.49 3is7 h TYR 133 N 0.20 -0.50 0.20 0.28 3.20 -0.62 -1.24 116.97 118.49 3is7 h TYR 133 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3is7 h TYR 133 Cb 0.02 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3is7 h TYR 133 CO -0.10 -0.27 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.91 3is7 h LEU 134 N -0.31 -0.44 -1.50 2.82 4.07 -0.66 -0.56 115.31 118.73 3is7 h LEU 134 Ca 0.06 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 3is7 h LEU 134 Cb 0.38 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 3is7 h LEU 134 CO -0.18 -0.26 0.16 -0.33 -1.08 0.00 0.00 178.44 176.74 3is7 h GLU 135 N -0.39 0.49 -0.50 1.13 5.08 -1.37 -1.59 114.58 117.43 3is7 h GLU 135 Ca -0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3is7 h GLU 135 Cb 0.35 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3is7 h GLU 135 CO -0.02 0.40 0.17 1.15 -1.00 0.00 0.00 179.01 179.71 3is7 h THR 136 N 0.50 1.22 -0.51 1.13 2.02 -0.67 -1.20 112.91 115.40 3is7 h THR 136 Ca 0.13 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 3is7 h THR 136 Cb 0.08 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3is7 h THR 136 CO -0.02 0.27 0.12 1.56 0.37 0.00 0.00 175.52 177.82 3is7 h GLN 137 N 0.68 0.83 -0.70 6.66 1.08 -0.18 -0.76 115.11 122.72 3is7 h GLN 137 Ca 0.16 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3is7 h GLN 137 Cb 0.24 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3is7 h GLN 137 CO -0.01 0.80 0.37 -0.07 -0.95 0.00 0.00 178.83 178.97 3is7 h LEU 138 N 0.72 0.89 -1.46 1.46 4.07 -1.29 -0.05 115.31 119.63 3is7 h LEU 138 Ca 0.16 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3is7 h LEU 138 Cb 0.34 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 3is7 h LEU 138 CO 0.00 0.74 -0.03 1.23 -1.08 0.00 0.00 178.44 179.31 3is7 h GLY 139 N 0.97 0.34 1.28 0.83 0.00 -0.91 -2.99 103.07 102.59 3is7 h GLY 139 Ca 0.24 -0.18 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 3is7 h GLY 139 CO -0.04 0.17 -0.98 1.41 0.00 0.00 0.00 176.54 177.11 3is7 h LEU 140 N 0.31 0.84 -0.76 3.11 3.38 0.24 -2.04 115.31 120.38 3is7 h LEU 140 Ca 0.07 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.55 3is7 h LEU 140 Cb 0.25 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3is7 h LEU 140 CO 0.01 1.45 0.29 0.40 0.09 0.00 0.00 178.44 180.67 3is7 h ILE 141 N 0.38 0.61 -0.36 1.22 2.04 -0.92 0.53 117.51 121.02 3is7 h ILE 141 Ca -0.11 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 3is7 h ILE 141 Cb 1.62 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3is7 h ILE 141 CO 0.19 0.07 -0.24 1.56 0.00 0.00 0.00 178.15 179.73 3is7 h GLN 142 N 0.41 0.71 0.07 2.37 1.08 -1.43 -0.34 115.11 117.98 3is7 h GLN 142 Ca 0.43 -0.29 -0.24 0.00 -1.45 0.00 0.00 58.65 57.10 3is7 h GLN 142 Cb 0.68 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3is7 h GLN 142 CO -0.43 0.88 -1.10 0.87 -0.95 0.00 0.00 178.83 178.10 3is7 h LYS 143 N 0.62 0.23 -0.00 1.46 1.57 -0.47 -3.36 116.57 116.62 3is7 h LYS 143 Ca 0.08 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3is7 h LYS 143 Cb 0.73 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3is7 h LYS 143 CO 0.06 1.12 -0.32 1.33 -0.57 0.00 0.00 179.45 181.07 3is7 n VAL 144 N -3.55 0.00 0.00 0.50 0.24 0.05 -5.09 118.33 110.49 3is7 n VAL 144 Ca -0.06 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3is7 n VAL 144 Cb 0.95 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.36 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 1.07 0.34 0.19 7.63 0.00 -0.14 -4.34 105.19 109.94 3is7 n GLY 145 Ca 0.02 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.12 -0.34 0.99 5.85 -1.89 -1.86 115.31 117.93 3is7 h LEU 146 Ca 0.00 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3is7 h LEU 146 Cb 0.00 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3is7 h LEU 146 CO 0.00 -0.03 0.13 -0.33 -0.34 0.00 0.00 178.44 177.87 3is7 h GLU 147 N 0.16 0.52 -0.56 1.25 5.08 -1.93 -1.41 114.58 117.69 3is7 h GLU 147 Ca 0.24 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3is7 h GLU 147 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3is7 h GLU 147 CO -0.37 0.53 0.37 -0.91 -1.00 0.00 0.00 179.01 177.63 3is7 h ASN 148 N 0.40 0.62 -0.10 1.42 2.35 -1.72 -1.03 115.58 117.53 3is7 h ASN 148 Ca 0.11 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3is7 h ASN 148 Cb 0.21 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3is7 h ASN 148 CO -0.01 0.44 -0.12 0.22 -1.65 0.00 0.00 177.43 176.32 3is7 h TYR 149 N 0.73 0.31 -0.63 1.19 3.20 -0.46 -0.76 116.97 120.55 3is7 h TYR 149 Ca 0.21 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3is7 h TYR 149 Cb -0.03 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3is7 h TYR 149 CO -0.00 0.69 0.07 -0.07 -1.64 0.00 0.00 178.16 177.22 3is7 h LEU 150 N -0.16 1.01 -0.63 2.82 3.38 -1.19 -2.50 115.31 118.03 3is7 h LEU 150 Ca 0.01 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.84 3is7 h LEU 150 Cb 0.65 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3is7 h LEU 150 CO 0.03 1.02 0.22 -0.61 0.09 0.00 0.00 178.44 179.18 3is7 h GLN 151 N 0.98 0.37 0.00 1.13 4.15 -0.81 -0.08 115.11 120.85 3is7 h GLN 151 Ca 0.19 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3is7 h GLN 151 Cb 0.46 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.07 3is7 h GLN 151 CO 0.02 0.24 0.00 0.43 -1.93 0.00 0.00 178.83 177.59 3is7 n SER 152 N -5.03 0.19 -0.52 -0.69 7.64 -0.32 -2.35 113.62 112.54 3is7 n SER 152 Ca 0.10 0.55 0.05 0.00 1.01 0.00 0.00 58.87 60.58 3is7 n SER 152 Cb 0.31 -0.59 0.13 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.72 0.41 -0.05 1.43 8.25 -0.08 -4.62 115.22 118.84 3is7 n HIS 153 Ca 0.03 -0.56 -0.13 0.00 -0.26 0.00 0.00 57.72 56.80 3is7 n HIS 153 Cb 0.16 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 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 1.53 0.33 -5.65 -0.41 2.86 -1.07 -1.76 114.93 110.76 3is7 h MET 154 Ca 0.00 -0.17 -0.66 0.00 -2.06 0.00 0.00 59.70 56.81 3is7 h MET 154 Cb 0.77 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.33 3is7 h MET 154 CO 0.02 0.72 -0.54 -1.01 1.06 0.00 0.00 176.91 177.17 3is7 s HIS 155 N -4.29 3.39 -2.00 -0.22 3.76 -1.26 -1.85 115.29 112.82 3is7 s HIS 155 Ca -0.14 0.33 0.09 0.00 -0.15 0.00 0.00 55.06 55.20 3is7 s HIS 155 Cb 0.05 -1.93 0.57 0.00 1.11 0.00 0.00 32.58 32.37 3is7 s HIS 155 CO 0.75 0.52 1.01 0.39 -0.85 0.00 0.00 174.74 176.56