#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 1.72 0.19 3.14 0.00 -0.29 -5.01 107.32 107.07 3is7 s GLY 3 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 3is7 s GLY 3 CO 0.00 -0.86 1.44 -0.35 0.00 0.00 0.00 173.10 173.33 3is7 s ASP 4 N -4.38 6.71 0.31 1.64 2.15 -1.26 -4.93 116.67 116.91 3is7 s ASP 4 Ca 0.55 2.53 -0.01 0.00 0.43 0.00 0.00 52.55 56.05 3is7 s ASP 4 Cb -0.10 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.40 3is7 s ASP 4 CO 0.40 -0.70 1.96 0.11 -0.17 0.00 0.00 175.17 176.77 3is7 h LYS 5 N 6.00 0.99 -0.20 4.34 1.79 -1.98 -1.74 116.57 125.77 3is7 h LYS 5 Ca -0.44 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 57.76 3is7 h LYS 5 Cb 1.21 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3is7 h LYS 5 CO 0.84 0.68 -0.64 0.87 -1.08 0.00 0.00 179.45 180.12 3is7 h LYS 6 N 1.01 0.73 -0.54 3.15 1.57 -1.99 -1.21 116.57 119.29 3is7 h LYS 6 Ca 0.27 -0.51 0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3is7 h LYS 6 Cb -0.06 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3is7 h LYS 6 CO -0.05 1.13 0.28 0.28 -0.57 0.00 0.00 179.45 180.52 3is7 h VAL 7 N 0.53 0.96 -0.79 0.50 2.07 -1.76 0.19 116.25 117.96 3is7 h VAL 7 Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3is7 h VAL 7 Cb 1.23 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3is7 h VAL 7 CO 0.13 0.10 0.45 0.40 0.02 0.00 0.00 177.57 178.67 3is7 h ILE 8 N 0.54 1.23 -0.09 4.57 2.04 -1.19 0.67 117.51 125.27 3is7 h ILE 8 Ca 0.24 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3is7 h ILE 8 Cb 0.14 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3is7 h ILE 8 CO -0.16 0.24 0.04 1.56 0.00 0.00 0.00 178.15 179.84 3is7 h GLN 9 N 1.09 0.14 -0.80 2.37 4.20 -0.46 -0.23 115.11 121.41 3is7 h GLN 9 Ca 0.28 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.03 3is7 h GLN 9 Cb -0.01 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 3is7 h GLN 9 CO -0.05 0.22 0.49 0.45 -0.67 0.00 0.00 178.83 179.27 3is7 h HIS 10 N 0.02 0.90 -0.63 2.96 3.86 -0.15 -0.31 115.15 121.80 3is7 h HIS 10 Ca 0.03 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 3is7 h HIS 10 Cb 0.13 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3is7 h HIS 10 CO -0.03 0.45 0.09 -0.07 0.86 0.00 0.00 177.93 179.23 3is7 h LEU 11 N 0.89 1.02 -1.36 2.43 3.38 -0.72 -0.06 115.31 120.89 3is7 h LEU 11 Ca 0.35 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3is7 h LEU 11 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3is7 h LEU 11 CO -0.17 1.03 -0.30 0.78 0.09 0.00 0.00 178.44 179.86 3is7 h ASN 12 N 0.97 0.02 -0.07 -0.43 2.35 -0.79 0.35 115.58 117.98 3is7 h ASN 12 Ca 0.19 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3is7 h ASN 12 Cb 0.45 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3is7 h ASN 12 CO 0.02 0.33 -0.11 0.50 -1.65 0.00 0.00 177.43 176.51 3is7 h LYS 13 N 0.02 0.20 -0.72 0.81 3.64 -0.01 -1.03 116.57 119.47 3is7 h LYS 13 Ca 0.00 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3is7 h LYS 13 Cb 0.55 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 3is7 h LYS 13 CO 0.04 0.69 0.43 0.82 -2.27 0.00 0.00 179.45 179.16 3is7 h ILE 14 N -0.28 1.03 -0.32 2.00 1.08 -0.75 -1.33 117.51 118.95 3is7 h ILE 14 Ca 0.01 -0.28 0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3is7 h ILE 14 Cb 0.67 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.53 3is7 h ILE 14 CO 0.03 0.15 0.06 0.25 -0.69 0.00 0.00 178.15 177.94 3is7 h LEU 15 N 0.81 -0.00 -0.72 1.44 5.85 -0.84 -0.67 115.31 121.17 3is7 h LEU 15 Ca 0.31 0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.21 3is7 h LEU 15 Cb 0.12 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3is7 h LEU 15 CO -0.15 0.03 0.28 1.23 -0.34 0.00 0.00 178.44 179.49 3is7 h GLY 16 N 0.17 1.06 0.98 3.75 0.00 -0.45 0.11 103.07 108.68 3is7 h GLY 16 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3is7 h GLY 16 CO -0.20 -0.07 0.25 3.43 0.00 0.00 0.00 176.54 179.94 3is7 h ASN 17 N 0.44 0.66 -0.96 0.19 2.35 -0.13 -2.54 115.58 115.59 3is7 h ASN 17 Ca 0.38 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 3is7 h ASN 17 Cb 0.55 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3is7 h ASN 17 CO -0.37 0.60 0.62 -0.33 -1.65 0.00 0.00 177.43 176.30 3is7 h GLU 18 N 0.67 1.18 -0.39 0.81 4.39 -0.20 -1.81 114.58 119.24 3is7 h GLU 18 Ca 0.17 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 3is7 h GLU 18 Cb 0.11 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3is7 h GLU 18 CO -0.02 0.78 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.52 3is7 h LEU 19 N 1.22 0.61 -0.27 1.33 3.38 -0.52 -0.20 115.31 120.86 3is7 h LEU 19 Ca 0.38 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3is7 h LEU 19 Cb -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3is7 h LEU 19 CO -0.12 0.69 0.04 0.40 0.09 0.00 0.00 178.44 179.54 3is7 h ILE 20 N 0.60 1.24 -0.58 1.22 2.04 -1.09 -3.13 117.51 117.80 3is7 h ILE 20 Ca 0.12 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3is7 h ILE 20 Cb 0.41 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3is7 h ILE 20 CO 0.02 0.26 0.31 0.00 0.00 0.00 0.00 178.15 178.74 3is7 h ALA 21 N 0.86 0.75 -0.23 1.87 0.00 -0.63 0.09 119.26 121.96 3is7 h ALA 21 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3is7 h ALA 21 Cb 0.35 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3is7 h ALA 21 CO 0.01 0.28 -0.16 0.82 0.00 0.00 0.00 179.25 180.19 3is7 h ILE 22 N 0.79 0.54 -0.14 0.00 2.04 -1.07 0.18 117.51 119.86 3is7 h ILE 22 Ca 0.21 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.86 3is7 h ILE 22 Cb 0.06 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3is7 h ILE 22 CO -0.03 0.00 -0.73 0.78 0.00 0.00 0.00 178.15 178.17 3is7 h ASN 23 N -0.15 0.74 -0.16 1.72 4.21 -1.44 -0.68 115.58 119.82 3is7 h ASN 23 Ca 0.13 -0.47 -0.03 0.00 1.21 0.00 0.00 56.30 57.14 3is7 h ASN 23 Cb 0.35 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 3is7 h ASN 23 CO -0.33 1.25 -0.00 -0.61 -1.29 0.00 0.00 177.43 176.45 3is7 h GLN 24 N 0.44 0.29 -0.72 0.81 4.15 -0.73 -1.82 115.11 117.54 3is7 h GLN 24 Ca -0.04 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 3is7 h GLN 24 Cb 1.33 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 3is7 h GLN 24 CO 0.14 0.52 0.23 1.88 -1.93 0.00 0.00 178.83 179.66 3is7 h TYR 25 N 0.04 1.15 -0.49 3.99 0.05 -0.64 -0.24 116.97 120.82 3is7 h TYR 25 Ca 0.05 -0.11 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 3is7 h TYR 25 Cb 0.39 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3is7 h TYR 25 CO 0.04 0.90 -0.05 0.35 -1.05 0.00 0.00 178.16 178.35 3is7 h PHE 26 N 1.07 1.00 -0.39 4.88 3.04 -1.04 -0.22 116.94 125.27 3is7 h PHE 26 Ca 0.23 -0.19 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 3is7 h PHE 26 Cb 0.29 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 3is7 h PHE 26 CO 0.02 0.95 0.09 1.25 -2.02 0.00 0.00 178.31 178.60 3is7 h LEU 27 N 0.76 0.60 -0.84 0.59 5.85 -1.13 -1.38 115.31 119.75 3is7 h LEU 27 Ca 0.13 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3is7 h LEU 27 Cb 0.58 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3is7 h LEU 27 CO 0.04 0.68 0.42 0.45 -0.34 0.00 0.00 178.44 179.68 3is7 h HIS 28 N 0.49 1.20 -0.02 1.25 3.86 -0.76 0.50 115.15 121.67 3is7 h HIS 28 Ca 0.12 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3is7 h HIS 28 Cb 0.32 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3is7 h HIS 28 CO 0.02 0.86 -0.22 1.03 0.86 0.00 0.00 177.93 180.48 3is7 h SER 29 N 1.19 -0.64 -0.20 2.45 0.87 -0.64 -0.58 113.55 116.00 3is7 h SER 29 Ca 0.29 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 3is7 h SER 29 Cb 0.10 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3is7 h SER 29 CO -0.04 -0.28 0.07 0.03 -0.53 0.00 0.00 176.83 176.08 3is7 h ARG 30 N -0.33 0.38 -0.24 2.24 -0.00 -0.83 -0.45 114.38 115.14 3is7 h ARG 30 Ca 0.07 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 3is7 h ARG 30 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 3is7 h ARG 30 CO -0.21 0.36 0.08 0.52 0.00 0.00 0.00 179.97 180.72 3is7 h MET 31 N 0.38 0.38 -0.65 0.04 2.86 -0.54 -0.82 114.93 116.58 3is7 h MET 31 Ca 0.09 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3is7 h MET 31 Cb 0.15 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 3is7 h MET 31 CO -0.00 0.46 0.39 -1.49 1.06 0.00 0.00 176.91 177.32 3is7 h TRP 32 N 0.23 0.72 -0.43 -0.22 6.55 -0.66 -1.19 115.95 120.95 3is7 h TRP 32 Ca 0.08 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.92 3is7 h TRP 32 Cb 0.24 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.29 3is7 h TRP 32 CO 0.00 0.39 0.20 -0.91 -1.05 0.00 0.00 178.44 177.07 3is7 h ASN 33 N 0.74 0.57 -0.95 -3.49 -0.26 -0.99 0.12 115.58 111.32 3is7 h ASN 33 Ca 0.27 -0.14 0.03 0.00 -0.56 0.00 0.00 56.30 55.91 3is7 h ASN 33 Cb 0.08 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.15 3is7 h ASN 33 CO -0.13 0.55 0.62 -0.78 -1.06 0.00 0.00 177.43 176.63 3is7 h ASP 34 N 0.55 1.04 0.65 5.81 3.58 -0.83 0.81 116.42 128.03 3is7 h ASP 34 Ca 0.15 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3is7 h ASP 34 Cb 0.14 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.94 3is7 h ASP 34 CO -0.02 0.73 -0.02 0.79 -2.88 0.00 0.00 179.24 177.84 3is7 n TRP 35 N -4.43 0.00 -0.75 0.28 8.01 -0.48 -4.92 117.44 115.16 3is7 n TRP 35 Ca 0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 3is7 n TRP 35 Cb 0.08 -0.32 0.00 0.00 -2.01 0.00 0.00 31.31 29.06 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 1.34 0.57 2.93 6.99 0.00 0.28 -4.95 105.19 112.34 3is7 n GLY 36 Ca 0.13 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 6.60 0.09 0.99 4.77 0.27 -4.42 117.00 125.31 3is7 n LEU 37 Ca 0.00 -5.12 0.03 0.00 -0.03 0.00 0.00 56.01 50.90 3is7 n LEU 37 Cb 0.00 -1.30 0.42 0.00 -2.33 0.00 0.00 43.42 40.21 3is7 n LEU 37 CO 0.00 1.68 1.00 0.11 -1.33 0.00 0.00 177.39 178.85 3is7 h LYS 38 N 5.36 0.33 -0.41 3.23 1.57 -1.12 -0.97 116.57 124.56 3is7 h LYS 38 Ca 0.28 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3is7 h LYS 38 Cb 0.58 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3is7 h LYS 38 CO 1.39 0.35 -0.11 -0.09 -0.57 0.00 0.00 179.45 180.41 3is7 h ARG 39 N 0.33 0.74 -0.16 3.15 2.43 -1.44 -1.44 114.38 117.98 3is7 h ARG 39 Ca 0.08 -0.24 -0.19 0.00 -0.81 0.00 0.00 59.98 58.82 3is7 h ARG 39 Cb 0.19 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3is7 h ARG 39 CO 0.00 0.82 -0.66 -0.07 -1.51 0.00 0.00 179.97 178.55 3is7 h LEU 40 N 0.67 0.72 -0.18 3.80 3.38 -1.52 -2.28 115.31 119.89 3is7 h LEU 40 Ca 0.11 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3is7 h LEU 40 Cb 0.58 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3is7 h LEU 40 CO 0.04 1.19 -0.00 1.23 0.09 0.00 0.00 178.44 180.98 3is7 h GLY 41 N 0.94 0.17 1.00 0.83 0.00 -1.02 -1.38 103.07 103.60 3is7 h GLY 41 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3is7 h GLY 41 CO 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 176.54 176.74 3is7 h ALA 42 N 1.16 0.22 -0.56 3.60 0.00 -1.26 -1.48 119.26 120.93 3is7 h ALA 42 Ca 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3is7 h ALA 42 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3is7 h ALA 42 CO -0.15 -0.30 0.12 1.25 0.00 0.00 0.00 179.25 180.18 3is7 h HIS 43 N 0.22 0.90 0.00 0.00 6.17 -1.26 -2.09 115.15 119.10 3is7 h HIS 43 Ca 0.06 -0.09 -0.17 0.00 0.71 0.00 0.00 60.37 60.88 3is7 h HIS 43 Cb -0.02 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 3is7 h HIS 43 CO -0.06 0.76 -0.81 1.49 0.71 0.00 0.00 177.93 180.02 3is7 h GLU 44 N 0.84 0.00 -0.03 5.26 4.57 -1.20 -1.93 114.58 122.09 3is7 h GLU 44 Ca 0.18 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3is7 h GLU 44 Cb 0.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3is7 h GLU 44 CO 0.00 0.81 0.02 -0.92 -1.18 0.00 0.00 179.01 177.74 3is7 h TYR 45 N 0.00 0.04 -0.67 0.92 3.20 -0.91 -1.50 116.97 118.05 3is7 h TYR 45 Ca -0.01 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 3is7 h TYR 45 Cb 1.48 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.69 3is7 h TYR 45 CO 0.00 0.07 0.44 0.45 -1.64 0.00 0.00 178.16 177.48 3is7 h HIS 46 N -0.01 0.55 -0.21 -3.82 3.86 -1.13 -1.11 115.15 113.28 3is7 h HIS 46 Ca 0.01 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 3is7 h HIS 46 Cb 0.04 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3is7 h HIS 46 CO -0.06 0.26 -0.50 0.93 0.86 0.00 0.00 177.93 179.42 3is7 h GLU 47 N 0.52 0.59 -0.56 2.45 4.39 -0.96 -1.06 114.58 119.94 3is7 h GLU 47 Ca 0.31 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3is7 h GLU 47 Cb 0.51 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3is7 h GLU 47 CO -0.10 0.95 0.30 1.03 -1.16 0.00 0.00 179.01 180.03 3is7 h SER 48 N 0.46 0.72 -0.68 1.42 0.87 -0.20 -2.33 113.55 113.80 3is7 h SER 48 Ca 0.02 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 3is7 h SER 48 Cb 1.03 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 3is7 h SER 48 CO 0.10 0.62 0.30 0.40 -0.53 0.00 0.00 176.83 177.71 3is7 h ILE 49 N 0.76 1.24 -0.80 2.23 1.08 -1.08 -0.67 117.51 120.26 3is7 h ILE 49 Ca 0.20 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 3is7 h ILE 49 Cb 0.07 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 3is7 h ILE 49 CO -0.03 0.29 0.37 0.44 -0.69 0.00 0.00 178.15 178.53 3is7 h ASP 50 N 0.96 1.07 -0.18 1.72 3.32 -0.97 -1.49 116.42 120.85 3is7 h ASP 50 Ca 0.23 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3is7 h ASP 50 Cb 0.17 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3is7 h ASP 50 CO -0.02 0.91 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.95 3is7 h GLU 51 N 1.15 0.56 -0.78 3.56 4.39 -0.93 -1.40 114.58 121.13 3is7 h GLU 51 Ca 0.27 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.82 3is7 h GLU 51 Cb 0.14 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3is7 h GLU 51 CO -0.03 0.68 0.51 0.52 -1.16 0.00 0.00 179.01 179.53 3is7 h MET 52 N 0.51 1.01 -0.58 2.33 2.86 -0.11 -0.96 114.93 120.00 3is7 h MET 52 Ca 0.09 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3is7 h MET 52 Cb 0.52 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3is7 h MET 52 CO 0.03 0.67 -0.03 0.87 1.06 0.00 0.00 176.91 179.51 3is7 h LYS 53 N 1.04 1.05 -0.36 1.72 1.57 -1.10 -0.89 116.57 119.61 3is7 h LYS 53 Ca 0.29 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3is7 h LYS 53 Cb -0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3is7 h LYS 53 CO -0.07 1.05 0.24 0.45 -0.57 0.00 0.00 179.45 180.55 3is7 h HIS 54 N 0.94 0.46 -0.87 -1.35 3.86 -0.99 -2.11 115.15 115.09 3is7 h HIS 54 Ca 0.16 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 3is7 h HIS 54 Cb 0.59 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.84 3is7 h HIS 54 CO 0.04 0.30 0.53 0.00 0.86 0.00 0.00 177.93 179.65 3is7 h ALA 55 N 1.13 1.24 -0.28 2.45 0.00 -1.01 -1.77 119.26 121.02 3is7 h ALA 55 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3is7 h ALA 55 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3is7 h ALA 55 CO -0.03 0.20 0.14 0.22 0.00 0.00 0.00 179.25 179.78 3is7 h ASP 56 N 0.90 0.36 -0.88 0.00 3.58 -0.84 -0.64 116.42 118.90 3is7 h ASP 56 Ca 0.41 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.75 3is7 h ASP 56 Cb 0.31 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 3is7 h ASP 56 CO -0.22 0.37 0.58 0.11 -2.88 0.00 0.00 179.24 177.19 3is7 h LYS 57 N 0.32 1.16 -0.36 0.28 1.57 -1.06 -1.40 116.57 117.07 3is7 h LYS 57 Ca 0.10 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3is7 h LYS 57 Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3is7 h LYS 57 CO -0.01 0.77 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.56 3is7 h LEU 58 N 1.19 0.62 -0.45 2.94 3.38 -1.03 -1.55 115.31 120.40 3is7 h LEU 58 Ca 0.32 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3is7 h LEU 58 Cb -0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 3is7 h LEU 58 CO -0.07 0.78 0.14 0.40 0.09 0.00 0.00 178.44 179.78 3is7 h ILE 59 N 0.44 0.83 -0.68 1.22 2.04 -0.65 0.34 117.51 121.05 3is7 h ILE 59 Ca 0.10 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3is7 h ILE 59 Cb 0.46 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3is7 h ILE 59 CO 0.02 0.06 0.11 -0.33 0.00 0.00 0.00 178.15 178.01 3is7 h GLU 60 N 0.30 1.12 -0.33 2.37 5.08 -1.12 -1.89 114.58 120.12 3is7 h GLU 60 Ca 0.22 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3is7 h GLU 60 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3is7 h GLU 60 CO -0.24 1.02 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.53 3is7 h ARG 61 N 1.05 0.70 -0.67 2.33 9.65 -0.60 -2.09 114.38 124.74 3is7 h ARG 61 Ca 0.21 -0.31 0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3is7 h ARG 61 Cb 0.44 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.95 3is7 h ARG 61 CO 0.01 0.92 0.37 0.82 2.80 0.00 0.00 179.97 184.88 3is7 h ILE 62 N 0.46 0.96 -0.41 1.20 2.04 -0.83 -1.18 117.51 119.75 3is7 h ILE 62 Ca 0.07 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 3is7 h ILE 62 Cb 0.72 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3is7 h ILE 62 CO 0.05 0.12 -0.26 -0.07 0.00 0.00 0.00 178.15 177.99 3is7 h LEU 63 N 0.67 0.90 -0.89 1.44 4.07 -1.23 -0.52 115.31 119.75 3is7 h LEU 63 Ca 0.30 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3is7 h LEU 63 Cb 0.20 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 3is7 h LEU 63 CO -0.19 1.11 0.48 0.15 -1.08 0.00 0.00 178.44 178.91 3is7 h PHE 64 N 0.75 1.23 0.00 1.13 3.57 -1.10 -1.14 116.94 121.38 3is7 h PHE 64 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3is7 h PHE 64 Cb 0.81 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3is7 h PHE 64 CO 0.05 0.86 0.00 1.28 -2.23 0.00 0.00 178.31 178.26 3is7 n LEU 65 N -4.33 0.00 -2.01 0.59 4.77 -0.47 -4.79 117.00 110.75 3is7 n LEU 65 Ca 0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 3is7 n LEU 65 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3is7 n LEU 65 CO 0.39 0.00 -0.16 -0.62 -1.33 0.00 0.00 177.39 175.67 3is7 n GLU 66 N -0.71 -1.92 -2.66 3.23 1.02 -0.43 -1.13 120.64 118.03 3is7 n GLU 66 Ca 0.08 0.78 -0.21 0.00 -0.02 0.00 0.00 57.16 57.79 3is7 n GLU 66 Cb 0.04 -5.21 0.09 0.00 -0.02 0.00 0.00 31.44 26.34 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 -1.10 1.19 3.14 0.62 0.00 -0.23 -4.92 105.19 103.89 3is7 n GLY 67 Ca -0.17 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 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 4.19 0.22 0.99 1.43 -1.26 -4.26 118.68 119.99 3is7 s LEU 68 Ca 0.62 -1.49 -0.31 0.00 -1.03 0.00 0.00 54.13 51.92 3is7 s LEU 68 Cb -0.04 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 3is7 s LEU 68 CO 0.40 -0.32 1.49 -2.84 0.23 0.00 0.00 176.35 175.31 3is7 s PRO 69 N 1.19 4.24 -0.51 1.29 0.02 -1.26 -4.97 135.00 135.01 3is7 s PRO 69 Ca -0.02 2.33 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 3is7 s PRO 69 Cb -0.20 -3.12 0.09 0.00 0.02 0.00 0.00 34.50 31.28 3is7 s PRO 69 CO -0.02 -0.49 0.50 1.21 -0.33 0.00 0.00 177.00 177.86 3is7 s ASN 70 N 0.64 6.18 -0.05 2.53 3.84 -1.26 -4.84 114.94 121.97 3is7 s ASN 70 Ca 0.63 -1.36 0.19 0.00 0.21 0.00 0.00 52.86 52.53 3is7 s ASN 70 Cb -0.43 -2.22 0.61 0.00 -0.55 0.00 0.00 41.25 38.66 3is7 s ASN 70 CO 0.39 -0.79 1.52 0.18 -2.79 0.00 0.00 177.10 175.61 3is7 n LEU 71 N 5.53 4.08 -0.03 3.21 4.32 -1.26 -4.59 117.00 128.26 3is7 n LEU 71 Ca -0.11 -2.22 -0.21 0.00 -0.02 0.00 0.00 56.01 53.45 3is7 n LEU 71 Cb 0.43 -0.48 -0.13 0.00 -1.62 0.00 0.00 43.42 41.62 3is7 n LEU 71 CO 0.51 0.87 -0.93 1.67 -1.22 0.00 0.00 177.39 178.29 3is7 n GLN 72 N 1.15 0.73 -3.18 3.23 -0.06 -1.26 -4.86 117.38 113.13 3is7 n GLN 72 Ca 0.23 0.25 -0.39 0.00 -2.00 0.00 0.00 57.00 55.08 3is7 n GLN 72 Cb 0.70 -1.67 -0.06 0.00 -4.06 0.00 0.00 30.24 25.16 3is7 n GLN 72 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3is7 s ASP 73 N -6.93 6.65 -0.22 1.69 1.01 -1.26 -5.03 116.67 112.59 3is7 s ASP 73 Ca -0.26 0.79 0.02 0.00 0.71 0.00 0.00 52.55 53.81 3is7 s ASP 73 Cb 0.07 -2.32 0.05 0.00 1.01 0.00 0.00 42.92 41.73 3is7 s ASP 73 CO 0.72 -0.20 -0.11 -0.22 0.21 0.00 0.00 175.17 175.57 3is7 s LEU 74 N 1.60 2.70 0.00 1.23 2.96 -1.26 -4.87 118.68 121.04 3is7 s LEU 74 Ca 0.27 -1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.09 3is7 s LEU 74 Cb -0.16 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3is7 s LEU 74 CO 0.10 -0.16 0.06 0.61 -1.32 0.00 0.00 176.35 175.65 3is7 n GLY 75 N 4.59 -3.06 3.65 7.98 0.00 -1.26 -4.95 105.19 112.13 3is7 n GLY 75 Ca -0.15 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.15 4.14 0.14 1.61 2.47 -1.26 -4.92 119.74 118.77 3is7 s LYS 76 Ca 0.04 1.31 -0.30 0.00 -1.56 0.00 0.00 55.97 55.46 3is7 s LYS 76 Cb -0.01 -3.73 -0.07 0.00 -1.46 0.00 0.00 37.83 32.56 3is7 s LYS 76 CO 0.04 -0.81 1.25 -0.51 0.16 0.00 0.00 175.35 175.48 3is7 s LEU 77 N 3.58 4.41 -0.60 5.43 1.02 -1.26 -5.01 118.68 126.26 3is7 s LEU 77 Ca 0.48 2.22 -0.15 0.00 0.02 0.00 0.00 54.13 56.70 3is7 s LEU 77 Cb -0.16 -3.60 0.15 0.00 0.02 0.00 0.00 46.19 42.61 3is7 s LEU 77 CO 0.13 -0.47 0.55 -0.76 0.02 0.00 0.00 176.35 175.82 3is7 s LEU 78 N 0.36 6.27 -0.29 1.79 1.43 -1.26 -5.05 118.68 121.92 3is7 s LEU 78 Ca 0.57 -2.00 -0.10 0.00 -1.03 0.00 0.00 54.13 51.57 3is7 s LEU 78 Cb -0.33 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3is7 s LEU 78 CO 0.34 -0.78 0.16 -0.63 0.23 0.00 0.00 176.35 175.66 3is7 s ILE 79 N 1.27 4.86 0.67 -0.59 -1.09 -1.26 -4.74 121.20 120.32 3is7 s ILE 79 Ca 0.06 -0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 3is7 s ILE 79 Cb -0.25 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 3is7 s ILE 79 CO 0.00 0.17 1.08 -0.83 -1.23 0.00 0.00 174.94 174.13 3is7 s GLY 80 N 1.67 1.95 0.00 6.18 0.00 -1.26 -4.99 107.32 110.88 3is7 s GLY 80 Ca 0.06 0.36 0.22 0.00 0.00 0.00 0.00 44.72 45.36 3is7 s GLY 80 CO 0.08 0.69 0.93 -1.84 0.00 0.00 0.00 173.10 172.96 3is7 n GLU 81 N -2.68 0.09 -4.12 2.90 0.28 -1.26 -4.77 120.64 111.08 3is7 n GLU 81 Ca 0.09 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.92 3is7 n GLU 81 Cb 0.53 -1.51 -0.05 0.00 1.43 0.00 0.00 31.44 31.84 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 -3.23 0.96 0.09 -1.84 2.20 -1.26 -5.04 114.94 106.82 3is7 s ASN 82 Ca 0.06 -1.50 -0.24 0.00 -0.94 0.00 0.00 52.86 50.24 3is7 s ASN 82 Cb 0.16 0.63 -0.14 0.00 -2.00 0.00 0.00 41.25 39.90 3is7 s ASN 82 CO 0.85 -1.24 1.72 0.74 -2.94 0.00 0.00 177.10 176.22 3is7 h THR 83 N 2.14 0.86 -0.69 0.54 2.02 -1.99 -0.01 112.91 115.77 3is7 h THR 83 Ca -0.28 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.97 3is7 h THR 83 Cb 1.24 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 3is7 h THR 83 CO 0.39 0.00 0.38 -0.61 0.37 0.00 0.00 175.52 176.04 3is7 h GLN 84 N -0.16 0.66 -0.05 6.66 4.15 -2.00 -2.01 115.11 122.37 3is7 h GLN 84 Ca -0.00 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 3is7 h GLN 84 Cb 0.14 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3is7 h GLN 84 CO 0.00 0.44 -0.48 1.49 -1.93 0.00 0.00 178.83 178.35 3is7 h GLU 85 N 0.68 0.11 -0.42 1.69 4.57 -1.88 -1.60 114.58 117.72 3is7 h GLU 85 Ca 0.32 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 3is7 h GLU 85 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3is7 h GLU 85 CO -0.21 0.57 -0.09 0.52 -1.18 0.00 0.00 179.01 178.62 3is7 h MET 86 N 0.09 0.81 -0.63 1.92 2.86 -0.53 0.63 114.93 120.07 3is7 h MET 86 Ca 0.00 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3is7 h MET 86 Cb 0.88 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 3is7 h MET 86 CO 0.07 0.92 0.24 -0.07 1.06 0.00 0.00 176.91 179.13 3is7 h LEU 87 N 0.63 0.88 -0.79 1.22 3.38 -1.22 -1.30 115.31 118.10 3is7 h LEU 87 Ca 0.11 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3is7 h LEU 87 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3is7 h LEU 87 CO 0.04 0.82 -0.19 1.56 0.09 0.00 0.00 178.44 180.77 3is7 h GLN 88 N 0.88 0.71 -0.86 1.13 4.20 -1.06 -0.41 115.11 119.70 3is7 h GLN 88 Ca 0.21 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.69 3is7 h GLN 88 Cb 0.23 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 3is7 h GLN 88 CO -0.01 0.85 0.56 0.00 -0.67 0.00 0.00 178.83 179.56 3is7 h ASP 90 N 1.08 0.65 -0.65 0.00 3.32 -0.82 -1.46 116.42 118.53 3is7 h ASP 90 Ca 0.34 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3is7 h ASP 90 Cb 0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3is7 h ASP 90 CO -0.10 0.96 0.23 0.25 -1.72 0.00 0.00 179.24 178.86 3is7 h LEU 91 N 0.34 0.93 -0.65 1.55 5.85 -0.89 -0.71 115.31 121.73 3is7 h LEU 91 Ca 0.05 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3is7 h LEU 91 Cb 0.76 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3is7 h LEU 91 CO 0.06 0.87 0.43 0.78 -0.34 0.00 0.00 178.44 180.24 3is7 h ASN 92 N 0.94 0.73 -0.87 1.25 2.35 -0.80 0.18 115.58 119.36 3is7 h ASN 92 Ca 0.21 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3is7 h ASN 92 Cb 0.26 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3is7 h ASN 92 CO -0.01 0.53 0.57 0.25 -1.65 0.00 0.00 177.43 177.12 3is7 h LEU 93 N 0.87 0.98 -0.42 1.61 5.85 -1.04 -2.47 115.31 120.68 3is7 h LEU 93 Ca 0.24 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.76 3is7 h LEU 93 Cb -0.09 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 3is7 h LEU 93 CO -0.06 0.69 -0.71 -0.33 -0.34 0.00 0.00 178.44 177.70 3is7 h GLU 94 N 1.15 0.42 -0.63 1.25 4.39 -0.41 -1.21 114.58 119.53 3is7 h GLU 94 Ca 0.33 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3is7 h GLU 94 Cb -0.09 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3is7 h GLU 94 CO -0.08 0.96 0.17 -0.07 -1.16 0.00 0.00 179.01 178.83 3is7 h LEU 95 N 0.29 0.91 -0.50 1.33 3.38 -0.86 -2.03 115.31 117.83 3is7 h LEU 95 Ca -0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3is7 h LEU 95 Cb 1.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3is7 h LEU 95 CO 0.12 0.87 0.15 0.50 0.09 0.00 0.00 178.44 180.17 3is7 h LYS 96 N 0.94 0.78 -0.28 1.13 1.63 -1.35 -2.55 116.57 116.87 3is7 h LYS 96 Ca 0.20 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 3is7 h LYS 96 Cb 0.30 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 3is7 h LYS 96 CO -0.00 0.73 -0.29 0.00 -3.45 0.00 0.00 179.45 176.44 3is7 h ALA 97 N 1.01 0.98 -0.29 5.00 0.00 -0.93 -1.65 119.26 123.38 3is7 h ALA 97 Ca 0.16 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3is7 h ALA 97 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3is7 h ALA 97 CO -0.00 0.60 -0.22 1.15 0.00 0.00 0.00 179.25 180.78 3is7 h THR 98 N 0.49 1.30 -0.13 0.00 2.02 -1.38 0.01 112.91 115.22 3is7 h THR 98 Ca 0.06 -1.36 0.04 0.00 0.77 0.00 0.00 66.41 65.92 3is7 h THR 98 Cb 0.75 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 3is7 h THR 98 CO 0.06 0.43 -0.14 0.50 0.37 0.00 0.00 175.52 176.75 3is7 h LYS 99 N 0.40 -0.16 -0.61 6.66 3.64 -1.10 -0.77 116.57 124.63 3is7 h LYS 99 Ca 0.05 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3is7 h LYS 99 Cb 0.77 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3is7 h LYS 99 CO 0.06 -0.11 0.33 -0.44 -2.27 0.00 0.00 179.45 177.02 3is7 h ASP 100 N -0.17 0.74 -0.20 4.20 3.32 -1.03 -2.42 116.42 120.86 3is7 h ASP 100 Ca 0.09 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3is7 h ASP 100 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3is7 h ASP 100 CO -0.23 0.60 0.03 -0.07 -1.72 0.00 0.00 179.24 177.85 3is7 h LEU 101 N 0.84 0.32 -0.82 1.55 -0.00 -0.57 -1.83 115.31 114.80 3is7 h LEU 101 Ca 0.22 -0.26 0.11 0.00 -0.00 0.00 0.00 57.88 57.94 3is7 h LEU 101 Cb 0.02 -0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 40.52 3is7 h LEU 101 CO -0.04 0.50 0.45 0.03 -0.00 0.00 0.00 178.44 179.39 3is7 h ARG 102 N 0.13 0.70 -0.65 1.13 3.08 -0.94 -0.68 114.38 117.15 3is7 h ARG 102 Ca 0.06 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3is7 h ARG 102 Cb 0.32 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3is7 h ARG 102 CO 0.00 0.47 0.23 0.93 -1.07 0.00 0.00 179.97 180.53 3is7 h GLU 103 N 0.73 1.00 -0.47 0.04 5.08 -1.31 -1.43 114.58 118.22 3is7 h GLU 103 Ca 0.41 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 3is7 h GLU 103 Cb 0.45 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3is7 h GLU 103 CO -0.28 0.86 -0.17 0.00 -1.00 0.00 0.00 179.01 178.41 3is7 h ALA 104 N 1.09 0.81 -0.59 3.43 0.00 -0.99 -2.25 119.26 120.75 3is7 h ALA 104 Ca 0.21 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3is7 h ALA 104 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3is7 h ALA 104 CO -0.01 0.65 0.09 0.82 0.00 0.00 0.00 179.25 180.80 3is7 h ILE 105 N 0.81 1.26 -0.50 0.00 2.04 -0.89 0.30 117.51 120.53 3is7 h ILE 105 Ca 0.12 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.03 3is7 h ILE 105 Cb 0.72 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3is7 h ILE 105 CO 0.05 0.37 0.24 0.58 0.00 0.00 0.00 178.15 179.39 3is7 h VAL 106 N 0.88 0.94 -0.06 1.67 2.07 -1.05 -1.22 116.25 119.48 3is7 h VAL 106 Ca 0.18 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3is7 h VAL 106 Cb 0.43 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3is7 h VAL 106 CO 0.01 0.09 -0.00 -0.74 0.02 0.00 0.00 177.57 176.95 3is7 h HIS 107 N 0.47 0.11 -0.78 1.57 -0.00 -1.04 -2.16 115.15 113.32 3is7 h HIS 107 Ca 0.22 -0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.75 3is7 h HIS 107 Cb 0.15 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 27.41 3is7 h HIS 107 CO -0.11 0.40 0.19 0.00 -0.00 0.00 0.00 177.93 178.40 3is7 h GLU 109 N 0.25 1.04 -0.31 0.00 4.57 -1.01 -0.19 114.58 118.93 3is7 h GLU 109 Ca 0.45 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.46 3is7 h GLU 109 Cb 0.81 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3is7 h GLU 109 CO -0.55 0.69 -0.27 0.37 -1.18 0.00 0.00 179.01 178.07 3is7 h GLN 110 N 1.07 0.62 -0.70 1.92 4.15 -0.58 -2.40 115.11 119.19 3is7 h GLN 110 Ca 0.33 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3is7 h GLN 110 Cb -0.02 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3is7 h GLN 110 CO -0.11 0.83 0.00 1.33 -1.93 0.00 0.00 178.83 178.95 3is7 n VAL 111 N -4.10 1.51 -1.79 2.39 0.24 -0.76 -4.97 118.33 110.85 3is7 n VAL 111 Ca -0.00 -1.11 -0.09 0.00 -2.04 0.00 0.00 64.34 61.10 3is7 n VAL 111 Cb 0.44 0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 33.06 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 1.37 -0.24 -2.92 6.34 8.25 -0.24 -4.92 115.22 122.86 3is7 n HIS 112 Ca 0.26 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 3is7 n HIS 112 Cb 0.79 -2.03 0.01 0.00 1.12 0.00 0.00 29.99 29.89 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 0.46 5.92 0.24 0.41 -0.08 -0.30 -4.77 116.55 118.43 3is7 n ASP 113 Ca -0.10 -3.26 0.10 0.00 -1.51 0.00 0.00 54.79 50.03 3is7 n ASP 113 Cb 0.46 -1.35 0.60 0.00 2.34 0.00 0.00 41.12 43.16 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 5.82 0.00 -0.17 -0.67 0.05 -1.92 -2.01 116.97 118.07 3is7 h TYR 114 Ca 0.24 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.85 3is7 h TYR 114 Cb 0.68 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 3is7 h TYR 114 CO 1.02 0.19 -0.60 0.28 -1.05 0.00 0.00 178.16 178.00 3is7 h VAL 115 N 0.00 1.32 -0.20 -2.88 2.07 -1.97 -1.41 116.25 113.18 3is7 h VAL 115 Ca -0.00 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.50 3is7 h VAL 115 Cb 0.50 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3is7 h VAL 115 CO 0.02 0.58 -0.48 0.28 0.02 0.00 0.00 177.57 178.00 3is7 h SER 116 N 0.44 0.57 -0.39 0.57 0.02 -1.88 -2.25 113.55 110.62 3is7 h SER 116 Ca -0.00 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3is7 h SER 116 Cb 1.17 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 3is7 h SER 116 CO 0.11 0.96 0.20 -0.09 -1.14 0.00 0.00 176.83 176.87 3is7 h ARG 117 N 0.42 0.54 -0.48 3.45 2.43 -1.25 -0.92 114.38 118.56 3is7 h ARG 117 Ca 0.02 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3is7 h ARG 117 Cb 0.99 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 3is7 h ARG 117 CO 0.09 0.46 0.26 0.22 -1.51 0.00 0.00 179.97 179.49 3is7 h ASP 118 N 0.49 0.39 -0.64 -3.80 3.58 -1.09 0.97 116.42 116.33 3is7 h ASP 118 Ca 0.13 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.62 3is7 h ASP 118 Cb 0.08 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 3is7 h ASP 118 CO -0.02 0.28 0.40 0.25 -2.88 0.00 0.00 179.24 177.27 3is7 h LEU 119 N 0.51 0.67 -0.68 2.28 6.46 -1.01 -1.71 115.31 121.82 3is7 h LEU 119 Ca 0.20 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.86 3is7 h LEU 119 Cb 0.08 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3is7 h LEU 119 CO -0.13 0.47 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.01 3is7 h LEU 120 N 0.80 0.92 -0.84 2.25 3.38 -0.87 -1.85 115.31 119.10 3is7 h LEU 120 Ca 0.25 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3is7 h LEU 120 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3is7 h LEU 120 CO -0.09 1.03 0.18 0.50 0.09 0.00 0.00 178.44 180.15 3is7 h LYS 121 N 0.84 1.04 -0.53 1.13 3.11 -0.50 0.12 116.57 121.78 3is7 h LYS 121 Ca 0.14 -0.23 -0.10 0.00 -2.81 0.00 0.00 60.65 57.65 3is7 h LYS 121 Cb 0.62 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 3is7 h LYS 121 CO 0.04 0.91 -0.07 -0.44 -2.81 0.00 0.00 179.45 177.08 3is7 h ASP 122 N 1.00 0.96 -0.36 4.20 3.32 -0.94 -1.02 116.42 123.56 3is7 h ASP 122 Ca 0.22 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 3is7 h ASP 122 Cb 0.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3is7 h ASP 122 CO -0.00 1.05 0.00 0.40 -1.72 0.00 0.00 179.24 178.97 3is7 h ILE 123 N 0.87 1.26 -0.78 0.35 2.04 -1.08 -2.79 117.51 117.38 3is7 h ILE 123 Ca 0.15 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 65.11 3is7 h ILE 123 Cb 0.61 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3is7 h ILE 123 CO 0.04 0.33 0.44 0.25 0.00 0.00 0.00 178.15 179.20 3is7 h LEU 124 N 0.46 0.62 -1.00 1.44 5.85 -0.44 -0.30 115.31 121.94 3is7 h LEU 124 Ca 0.10 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3is7 h LEU 124 Cb 0.46 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3is7 h LEU 124 CO 0.02 0.36 0.29 -0.08 -0.34 0.00 0.00 178.44 178.68 3is7 h GLU 125 N 0.74 1.01 -0.46 1.25 4.81 -1.06 0.22 114.58 121.09 3is7 h GLU 125 Ca 0.38 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3is7 h GLU 125 Cb 0.34 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3is7 h GLU 125 CO -0.24 0.81 -0.04 1.03 -0.73 0.00 0.00 179.01 179.84 3is7 h SER 126 N 0.99 0.83 -0.30 1.04 0.87 -1.08 -1.64 113.55 114.25 3is7 h SER 126 Ca 0.23 -0.33 -0.12 0.00 -1.23 0.00 0.00 61.79 60.35 3is7 h SER 126 Cb 0.17 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3is7 h SER 126 CO -0.02 0.96 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.67 3is7 h GLU 127 N 0.68 0.79 -0.41 2.24 4.39 -0.66 -1.19 114.58 120.41 3is7 h GLU 127 Ca 0.12 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 3is7 h GLU 127 Cb 0.56 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3is7 h GLU 127 CO 0.03 0.95 0.00 0.93 -1.16 0.00 0.00 179.01 179.76 3is7 h GLU 128 N 0.69 0.66 -0.26 2.33 5.08 -0.83 0.11 114.58 122.36 3is7 h GLU 128 Ca 0.09 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3is7 h GLU 128 Cb 0.76 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3is7 h GLU 128 CO 0.06 0.68 -0.05 0.93 -1.00 0.00 0.00 179.01 179.63 3is7 h GLU 129 N 0.63 0.40 -0.43 2.33 5.08 -1.05 -0.66 114.58 120.88 3is7 h GLU 129 Ca 0.13 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3is7 h GLU 129 Cb 0.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3is7 h GLU 129 CO 0.01 0.47 -0.13 1.25 -1.00 0.00 0.00 179.01 179.62 3is7 h HIS 130 N 0.38 0.96 -0.89 4.33 2.76 0.07 -2.36 115.15 120.41 3is7 h HIS 130 Ca 0.08 -0.21 0.05 0.00 -2.20 0.00 0.00 60.37 58.09 3is7 h HIS 130 Cb 0.34 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 3is7 h HIS 130 CO 0.01 0.97 0.56 0.82 -1.30 0.00 0.00 177.93 178.99 3is7 h ILE 131 N 0.68 1.08 -0.39 6.26 2.04 -0.62 -1.20 117.51 125.36 3is7 h ILE 131 Ca 0.11 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3is7 h ILE 131 Cb 0.67 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3is7 h ILE 131 CO 0.05 0.19 0.19 -0.78 0.00 0.00 0.00 178.15 177.80 3is7 h ASP 132 N 1.05 0.51 -0.24 1.72 3.58 -0.98 -0.07 116.42 121.99 3is7 h ASP 132 Ca 0.38 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.73 3is7 h ASP 132 Cb 0.12 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3is7 h ASP 132 CO -0.15 0.50 0.06 0.22 -2.88 0.00 0.00 179.24 176.98 3is7 h TYR 133 N 0.49 0.10 -0.31 0.28 3.20 -1.05 -1.06 116.97 118.63 3is7 h TYR 133 Ca 0.13 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3is7 h TYR 133 Cb 0.12 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3is7 h TYR 133 CO -0.01 0.04 0.09 -0.07 -1.64 0.00 0.00 178.16 176.56 3is7 h LEU 134 N 0.16 0.45 -0.95 2.82 4.07 -0.98 0.54 115.31 121.42 3is7 h LEU 134 Ca 0.11 -0.21 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 3is7 h LEU 134 Cb 0.09 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 3is7 h LEU 134 CO -0.13 0.54 0.22 -0.33 -1.08 0.00 0.00 178.44 177.66 3is7 h GLU 135 N 0.33 0.98 -0.48 1.13 5.08 -0.99 -1.80 114.58 118.83 3is7 h GLU 135 Ca 0.10 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3is7 h GLU 135 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3is7 h GLU 135 CO -0.00 0.83 0.18 1.15 -1.00 0.00 0.00 179.01 180.17 3is7 h THR 136 N 0.95 1.21 -0.61 1.13 2.02 -0.87 -1.64 112.91 115.11 3is7 h THR 136 Ca 0.21 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 3is7 h THR 136 Cb 0.25 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3is7 h THR 136 CO -0.01 0.25 0.26 1.56 0.37 0.00 0.00 175.52 177.95 3is7 h GLN 137 N 0.64 0.91 -0.53 6.66 1.08 -0.38 0.45 115.11 123.94 3is7 h GLN 137 Ca 0.16 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3is7 h GLN 137 Cb 0.21 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3is7 h GLN 137 CO -0.01 0.76 0.12 -0.07 -0.95 0.00 0.00 178.83 178.68 3is7 h LEU 138 N 0.85 0.76 -0.66 1.46 -0.00 -1.26 -0.93 115.31 115.52 3is7 h LEU 138 Ca 0.21 -0.14 -0.11 0.00 -0.00 0.00 0.00 57.88 57.84 3is7 h LEU 138 Cb 0.18 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 3is7 h LEU 138 CO -0.02 0.75 -0.17 1.23 -0.00 0.00 0.00 178.44 180.23 3is7 h GLY 139 N 0.96 0.94 1.28 0.83 0.00 -1.02 -3.04 103.07 103.02 3is7 h GLY 139 Ca 0.17 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 3is7 h GLY 139 CO -0.00 0.70 0.16 1.41 0.00 0.00 0.00 176.54 178.81 3is7 h LEU 140 N 0.76 0.85 -1.07 3.11 3.38 0.16 -0.81 115.31 121.68 3is7 h LEU 140 Ca 0.11 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3is7 h LEU 140 Cb 0.70 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3is7 h LEU 140 CO 0.05 0.82 0.62 0.40 0.09 0.00 0.00 178.44 180.42 3is7 h ILE 141 N 0.87 1.10 -0.32 1.22 2.04 -1.11 0.37 117.51 121.69 3is7 h ILE 141 Ca 0.19 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 3is7 h ILE 141 Cb 0.30 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3is7 h ILE 141 CO -0.00 0.21 -0.49 1.56 0.00 0.00 0.00 178.15 179.42 3is7 h GLN 142 N 1.14 0.89 0.10 2.37 4.20 -1.36 0.06 115.11 122.50 3is7 h GLN 142 Ca 0.41 -0.53 -0.29 0.00 0.06 0.00 0.00 58.65 58.30 3is7 h GLN 142 Cb 0.14 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3is7 h GLN 142 CO -0.15 1.17 -1.40 0.87 -0.67 0.00 0.00 178.83 178.65 3is7 h LYS 143 N 0.70 0.22 0.00 1.46 1.57 -0.59 -3.37 116.57 116.55 3is7 h LYS 143 Ca 0.03 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3is7 h LYS 143 Cb 1.09 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3is7 h LYS 143 CO 0.11 1.10 -1.12 1.33 -0.57 0.00 0.00 179.45 180.30 3is7 n VAL 144 N -3.44 0.00 0.00 0.50 0.24 0.13 -5.09 118.33 110.67 3is7 n VAL 144 Ca -0.12 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3is7 n VAL 144 Cb 1.03 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 34.10 3is7 n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3is7 n GLY 145 N 1.44 1.61 0.25 7.63 0.00 0.01 -4.48 105.19 111.64 3is7 n GLY 145 Ca 0.01 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 0.81 -0.47 0.99 5.85 -1.90 -1.14 115.31 119.45 3is7 h LEU 146 Ca 0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 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 0.93 0.22 -0.33 -0.34 0.00 0.00 178.44 178.92 3is7 h GLU 147 N 0.67 0.69 -0.28 1.25 5.08 -1.93 -0.18 114.58 119.88 3is7 h GLU 147 Ca 0.13 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3is7 h GLU 147 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3is7 h GLU 147 CO 0.03 0.58 0.09 -0.91 -1.00 0.00 0.00 179.01 177.80 3is7 h ASN 148 N 0.62 0.40 -0.12 1.42 2.35 -1.76 -0.56 115.58 117.94 3is7 h ASN 148 Ca 0.16 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3is7 h ASN 148 Cb 0.13 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3is7 h ASN 148 CO -0.02 0.50 -0.03 0.22 -1.65 0.00 0.00 177.43 176.45 3is7 h TYR 149 N 0.29 -0.07 -0.65 1.19 3.20 -1.00 -0.28 116.97 119.65 3is7 h TYR 149 Ca 0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3is7 h TYR 149 Cb 0.24 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3is7 h TYR 149 CO 0.00 -0.05 0.39 -0.07 -1.64 0.00 0.00 178.16 176.80 3is7 h LEU 150 N -0.00 0.78 -1.19 2.82 3.38 -0.98 -2.19 115.31 117.92 3is7 h LEU 150 Ca 0.06 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3is7 h LEU 150 Cb 0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3is7 h LEU 150 CO -0.12 0.61 0.57 -0.61 0.09 0.00 0.00 178.44 178.97 3is7 h GLN 151 N 0.88 0.97 0.00 1.13 4.15 -0.62 0.53 115.11 122.15 3is7 h GLN 151 Ca 0.23 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3is7 h GLN 151 Cb -0.03 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.44 3is7 h GLN 151 CO -0.04 0.64 0.00 0.43 -1.93 0.00 0.00 178.83 177.92 3is7 n SER 152 N -4.48 0.00 -0.85 -0.69 7.64 -0.16 -2.54 113.62 112.54 3is7 n SER 152 Ca 0.13 0.48 0.07 0.00 1.01 0.00 0.00 58.87 60.56 3is7 n SER 152 Cb 0.18 -0.49 0.22 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.49 0.76 -0.03 1.43 8.25 0.16 -4.66 115.22 119.63 3is7 n HIS 153 Ca 0.05 -0.65 -0.14 0.00 -0.26 0.00 0.00 57.72 56.72 3is7 n HIS 153 Cb 0.23 -0.15 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 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 2.23 0.23 -5.87 -0.41 2.86 -1.26 -1.64 114.93 111.07 3is7 h MET 154 Ca 0.00 -0.16 -0.66 0.00 -2.06 0.00 0.00 59.70 56.82 3is7 h MET 154 Cb 1.07 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 3is7 h MET 154 CO 0.11 0.78 -0.54 -1.01 1.06 0.00 0.00 176.91 177.31 3is7 s HIS 155 N -3.80 3.41 -2.00 -0.22 3.76 -1.26 -2.16 115.29 113.02 3is7 s HIS 155 Ca -0.15 0.31 0.08 0.00 -0.15 0.00 0.00 55.06 55.16 3is7 s HIS 155 Cb 0.03 -1.81 0.50 0.00 1.11 0.00 0.00 32.58 32.40 3is7 s HIS 155 CO 0.74 0.61 0.95 0.39 -0.85 0.00 0.00 174.74 176.58