#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 2.84 0.19 2.58 0.00 -0.65 -4.99 107.32 107.30 3is7 s GLY 3 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 3is7 s GLY 3 CO 0.00 1.16 1.22 -0.35 0.00 0.00 0.00 173.10 175.13 3is7 s ASP 4 N -1.42 7.05 0.16 1.64 2.15 -1.26 -4.92 116.67 120.07 3is7 s ASP 4 Ca 0.52 2.27 -0.14 0.00 0.43 0.00 0.00 52.55 55.63 3is7 s ASP 4 Cb -0.23 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.83 3is7 s ASP 4 CO 0.29 -0.40 1.77 0.50 -0.17 0.00 0.00 175.17 177.16 3is7 h LYS 5 N 5.22 0.70 0.00 4.34 3.64 -1.98 -1.24 116.57 127.27 3is7 h LYS 5 Ca -0.45 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 58.72 3is7 h LYS 5 Cb 1.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3is7 h LYS 5 CO 0.75 0.55 -0.60 0.87 -2.27 0.00 0.00 179.45 178.75 3is7 h LYS 6 N 0.67 0.00 0.26 1.90 1.57 -1.99 -1.78 116.57 117.21 3is7 h LYS 6 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3is7 h LYS 6 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3is7 h LYS 6 CO -0.03 0.60 -0.13 0.28 -0.57 0.00 0.00 179.45 179.60 3is7 h VAL 7 N 0.00 0.74 -0.64 0.50 2.07 -1.74 -1.06 116.25 116.11 3is7 h VAL 7 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3is7 h VAL 7 Cb 1.08 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 3is7 h VAL 7 CO 0.08 0.00 0.17 0.40 0.02 0.00 0.00 177.57 178.24 3is7 h ILE 8 N -0.36 0.64 -0.47 4.57 2.04 -1.15 0.21 117.51 122.99 3is7 h ILE 8 Ca -0.04 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.78 3is7 h ILE 8 Cb 0.28 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3is7 h ILE 8 CO 0.06 0.06 0.18 1.56 0.00 0.00 0.00 178.15 180.01 3is7 h GLN 9 N 0.31 0.36 -0.32 2.37 4.20 -1.09 -0.14 115.11 120.79 3is7 h GLN 9 Ca 0.34 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.98 3is7 h GLN 9 Cb 0.51 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3is7 h GLN 9 CO -0.41 0.24 0.02 0.45 -0.67 0.00 0.00 178.83 178.46 3is7 h HIS 10 N 0.37 0.61 -0.94 2.96 3.86 -0.22 -1.72 115.15 120.07 3is7 h HIS 10 Ca 0.22 -0.10 0.09 0.00 -1.16 0.00 0.00 60.37 59.42 3is7 h HIS 10 Cb 0.20 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.44 3is7 h HIS 10 CO -0.14 0.67 0.60 -0.07 0.86 0.00 0.00 177.93 179.85 3is7 h LEU 11 N 0.37 0.89 -0.94 2.43 3.38 -0.23 0.46 115.31 121.67 3is7 h LEU 11 Ca 0.09 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3is7 h LEU 11 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3is7 h LEU 11 CO 0.01 0.53 -0.42 0.78 0.09 0.00 0.00 178.44 179.44 3is7 h ASN 12 N 0.99 0.24 -0.21 -0.43 2.35 -0.85 0.35 115.58 118.02 3is7 h ASN 12 Ca 0.43 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3is7 h ASN 12 Cb 0.34 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3is7 h ASN 12 CO -0.19 0.64 -0.03 0.50 -1.65 0.00 0.00 177.43 176.70 3is7 h LYS 13 N 0.19 0.39 -0.49 0.81 3.64 -0.30 0.32 116.57 121.12 3is7 h LYS 13 Ca 0.02 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3is7 h LYS 13 Cb 0.83 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3is7 h LYS 13 CO 0.06 0.62 0.25 0.82 -2.27 0.00 0.00 179.45 178.93 3is7 h ILE 14 N 0.13 1.19 -0.77 2.00 1.08 -0.72 -0.61 117.51 119.80 3is7 h ILE 14 Ca 0.06 -0.51 0.10 0.00 -0.39 0.00 0.00 64.86 64.11 3is7 h ILE 14 Cb 0.46 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 34.75 3is7 h ILE 14 CO 0.02 0.20 0.41 0.25 -0.69 0.00 0.00 178.15 178.34 3is7 h LEU 15 N 0.66 0.55 -1.16 1.44 5.85 -0.10 -0.69 115.31 121.86 3is7 h LEU 15 Ca 0.17 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3is7 h LEU 15 Cb 0.10 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3is7 h LEU 15 CO -0.02 0.31 0.51 1.23 -0.34 0.00 0.00 178.44 180.13 3is7 h GLY 16 N 0.68 1.15 1.10 3.75 0.00 0.20 -0.21 103.07 109.74 3is7 h GLY 16 Ca 0.38 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3is7 h GLY 16 CO -0.27 0.44 -0.08 3.43 0.00 0.00 0.00 176.54 180.06 3is7 h ASN 17 N 1.10 1.05 -0.91 0.19 2.35 0.27 -2.76 115.58 116.87 3is7 h ASN 17 Ca 0.29 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3is7 h ASN 17 Cb -0.09 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 37.95 3is7 h ASN 17 CO -0.06 1.15 0.52 -0.33 -1.65 0.00 0.00 177.43 177.06 3is7 h GLU 18 N 0.94 1.25 -0.77 0.81 4.39 -0.44 -1.81 114.58 118.95 3is7 h GLU 18 Ca 0.15 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3is7 h GLU 18 Cb 0.66 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3is7 h GLU 18 CO 0.05 0.90 0.36 -0.07 -1.16 0.00 0.00 179.01 179.08 3is7 h LEU 19 N 1.27 1.01 -0.12 1.33 3.38 -0.90 -0.83 115.31 120.45 3is7 h LEU 19 Ca 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3is7 h LEU 19 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3is7 h LEU 19 CO -0.06 0.86 0.05 0.40 0.09 0.00 0.00 178.44 179.79 3is7 h ILE 20 N 1.10 1.15 -0.87 1.22 2.04 -1.29 -3.09 117.51 117.77 3is7 h ILE 20 Ca 0.27 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3is7 h ILE 20 Cb 0.13 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3is7 h ILE 20 CO -0.03 0.13 0.49 0.00 0.00 0.00 0.00 178.15 178.74 3is7 h ALA 21 N 0.90 1.11 -0.14 1.87 0.00 -0.93 0.97 119.26 123.04 3is7 h ALA 21 Ca 0.04 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3is7 h ALA 21 Cb 0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3is7 h ALA 21 CO -0.00 0.60 -0.33 0.82 0.00 0.00 0.00 179.25 180.34 3is7 h ILE 22 N 1.21 0.27 -0.24 0.00 2.04 -1.19 0.21 117.51 119.82 3is7 h ILE 22 Ca 0.31 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.11 3is7 h ILE 22 Cb 0.00 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3is7 h ILE 22 CO -0.05 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.79 3is7 h ASN 23 N -0.40 0.48 -0.21 1.72 4.21 -1.35 0.07 115.58 120.11 3is7 h ASN 23 Ca 0.10 -0.39 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 3is7 h ASN 23 Cb 0.55 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 3is7 h ASN 23 CO -0.36 0.76 0.12 -0.61 -1.29 0.00 0.00 177.43 176.06 3is7 h GLN 24 N 0.20 0.28 -0.25 0.81 4.15 -0.62 -0.37 115.11 119.32 3is7 h GLN 24 Ca 0.06 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 3is7 h GLN 24 Cb 0.56 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3is7 h GLN 24 CO 0.03 0.24 -0.19 1.88 -1.93 0.00 0.00 178.83 178.86 3is7 h TYR 25 N 0.25 0.47 -0.19 3.99 0.05 -0.57 0.17 116.97 121.15 3is7 h TYR 25 Ca 0.07 -0.08 -0.17 0.00 0.05 0.00 0.00 58.73 58.60 3is7 h TYR 25 Cb 0.03 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3is7 h TYR 25 CO -0.05 0.60 -0.55 0.35 -1.05 0.00 0.00 178.16 177.46 3is7 h PHE 26 N 0.40 0.92 -0.33 4.88 3.04 -0.71 0.84 116.94 125.97 3is7 h PHE 26 Ca 0.07 -0.37 -0.04 0.00 3.98 0.00 0.00 57.97 61.62 3is7 h PHE 26 Cb 0.56 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 3is7 h PHE 26 CO 0.02 1.17 0.06 1.25 -2.02 0.00 0.00 178.31 178.78 3is7 h LEU 27 N 0.41 0.51 -1.20 0.59 5.85 -0.86 -2.24 115.31 118.37 3is7 h LEU 27 Ca -0.02 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3is7 h LEU 27 Cb 1.17 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3is7 h LEU 27 CO 0.12 0.63 0.45 0.45 -0.34 0.00 0.00 178.44 179.75 3is7 h HIS 28 N 0.37 0.96 -0.44 1.25 3.86 -0.46 -1.16 115.15 119.54 3is7 h HIS 28 Ca 0.10 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3is7 h HIS 28 Cb 0.33 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 3is7 h HIS 28 CO 0.02 0.64 0.28 1.03 0.86 0.00 0.00 177.93 180.75 3is7 h SER 29 N 1.02 0.46 0.91 2.45 0.87 -0.63 -0.25 113.55 118.38 3is7 h SER 29 Ca 0.27 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 3is7 h SER 29 Cb -0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3is7 h SER 29 CO -0.05 0.33 -0.47 0.03 -0.53 0.00 0.00 176.83 176.14 3is7 h ARG 30 N 0.56 0.00 -0.18 2.24 -0.00 -0.75 -0.70 114.38 115.55 3is7 h ARG 30 Ca 0.17 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.61 3is7 h ARG 30 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.93 3is7 h ARG 30 CO -0.06 0.47 -0.01 0.52 0.00 0.00 0.00 179.97 180.89 3is7 h MET 31 N 0.00 0.33 -0.53 0.04 2.86 -0.97 -0.40 114.93 116.27 3is7 h MET 31 Ca -0.00 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3is7 h MET 31 Cb 1.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 3is7 h MET 31 CO 0.06 0.56 0.32 -1.49 1.06 0.00 0.00 176.91 177.42 3is7 h TRP 32 N 0.07 0.60 -0.73 -0.22 6.55 -0.66 -1.62 115.95 119.94 3is7 h TRP 32 Ca 0.05 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.91 3is7 h TRP 32 Cb 0.42 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 28.49 3is7 h TRP 32 CO 0.04 0.35 0.47 -0.91 -1.05 0.00 0.00 178.44 177.33 3is7 h ASN 33 N 0.64 0.86 -0.32 -3.49 -0.26 -1.04 -1.88 115.58 110.09 3is7 h ASN 33 Ca 0.21 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3is7 h ASN 33 Cb 0.01 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 3is7 h ASN 33 CO -0.09 0.64 0.21 -0.78 -1.06 0.00 0.00 177.43 176.36 3is7 h ASP 34 N 1.00 0.37 0.33 5.81 3.58 -0.53 -1.81 116.42 125.16 3is7 h ASP 34 Ca 0.27 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3is7 h ASP 34 Cb -0.08 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3is7 h ASP 34 CO -0.05 0.26 -0.11 0.79 -2.88 0.00 0.00 179.24 177.25 3is7 n TRP 35 N -4.49 0.00 -0.63 0.28 8.01 -0.66 -4.92 117.44 115.03 3is7 n TRP 35 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3is7 n TRP 35 Cb 0.07 -0.17 0.00 0.00 -2.01 0.00 0.00 31.31 29.20 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 1.27 0.70 2.78 6.99 0.00 -0.68 -4.96 105.19 111.30 3is7 n GLY 36 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 6.99 0.21 0.99 4.77 -0.76 -4.46 117.00 124.75 3is7 n LEU 37 Ca 0.00 -4.85 0.07 0.00 -0.03 0.00 0.00 56.01 51.20 3is7 n LEU 37 Cb 0.00 -1.40 0.47 0.00 -2.33 0.00 0.00 43.42 40.17 3is7 n LEU 37 CO 0.00 1.64 0.79 0.11 -1.33 0.00 0.00 177.39 178.60 3is7 h LYS 38 N 5.33 0.00 -0.33 3.23 1.57 -1.10 -1.66 116.57 123.61 3is7 h LYS 38 Ca 0.44 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.05 3is7 h LYS 38 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3is7 h LYS 38 CO 1.52 0.28 -0.47 -0.09 -0.57 0.00 0.00 179.45 180.12 3is7 h ARG 39 N 0.00 0.89 -0.61 3.15 2.43 -1.43 -0.56 114.38 118.25 3is7 h ARG 39 Ca -0.00 -0.52 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 3is7 h ARG 39 Cb 0.63 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3is7 h ARG 39 CO 0.04 1.17 0.24 -0.07 -1.51 0.00 0.00 179.97 179.84 3is7 h LEU 40 N 0.69 0.84 -0.21 3.80 3.38 -1.61 -1.90 115.31 120.30 3is7 h LEU 40 Ca 0.03 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3is7 h LEU 40 Cb 1.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3is7 h LEU 40 CO 0.11 0.78 -0.01 1.23 0.09 0.00 0.00 178.44 180.64 3is7 h GLY 41 N 0.85 0.19 1.45 0.83 0.00 -1.07 -0.32 103.07 105.00 3is7 h GLY 41 Ca 0.20 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 3is7 h GLY 41 CO -0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 176.54 176.20 3is7 h ALA 42 N 1.18 0.94 -0.35 3.60 0.00 -1.06 -0.56 119.26 123.02 3is7 h ALA 42 Ca 0.10 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3is7 h ALA 42 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3is7 h ALA 42 CO -0.17 0.61 -0.17 1.25 0.00 0.00 0.00 179.25 180.78 3is7 h HIS 43 N 0.54 0.83 -0.24 0.00 6.17 -1.18 -2.12 115.15 119.15 3is7 h HIS 43 Ca 0.07 -0.21 -0.12 0.00 0.71 0.00 0.00 60.37 60.83 3is7 h HIS 43 Cb 0.75 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 3is7 h HIS 43 CO 0.03 0.92 -0.35 1.49 0.71 0.00 0.00 177.93 180.74 3is7 h GLU 44 N 0.50 0.52 -0.54 5.26 4.57 -0.97 -1.27 114.58 122.64 3is7 h GLU 44 Ca 0.08 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3is7 h GLU 44 Cb 0.70 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 3is7 h GLU 44 CO 0.05 0.80 0.30 -0.92 -1.18 0.00 0.00 179.01 178.05 3is7 h TYR 45 N 0.44 0.55 -0.35 0.92 3.20 -0.90 -1.70 116.97 119.12 3is7 h TYR 45 Ca 0.05 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3is7 h TYR 45 Cb 0.82 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3is7 h TYR 45 CO 0.03 0.28 -0.08 0.45 -1.64 0.00 0.00 178.16 177.20 3is7 h HIS 46 N 0.58 0.63 -0.80 -3.82 3.86 -0.78 -0.62 115.15 114.20 3is7 h HIS 46 Ca 0.23 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 3is7 h HIS 46 Cb 0.10 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 3is7 h HIS 46 CO -0.08 0.65 0.38 0.93 0.86 0.00 0.00 177.93 180.67 3is7 h GLU 47 N 0.55 1.15 -0.01 2.45 4.39 -0.88 -0.71 114.58 121.52 3is7 h GLU 47 Ca 0.10 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3is7 h GLU 47 Cb 0.47 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3is7 h GLU 47 CO 0.03 0.89 0.00 1.03 -1.16 0.00 0.00 179.01 179.80 3is7 h SER 48 N 1.13 0.01 -0.96 1.42 0.87 -0.44 -1.40 113.55 114.18 3is7 h SER 48 Ca 0.27 -0.14 0.15 0.00 -1.23 0.00 0.00 61.79 60.84 3is7 h SER 48 Cb 0.12 -0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.99 3is7 h SER 48 CO -0.03 0.15 0.58 0.40 -0.53 0.00 0.00 176.83 177.39 3is7 h ILE 49 N -0.13 0.81 -0.67 2.23 1.08 -1.10 -0.59 117.51 119.14 3is7 h ILE 49 Ca 0.00 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3is7 h ILE 49 Cb 0.14 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 33.77 3is7 h ILE 49 CO -0.00 0.15 0.29 0.44 -0.69 0.00 0.00 178.15 178.34 3is7 h ASP 50 N 0.84 0.90 -0.74 1.72 3.32 -0.54 -2.19 116.42 119.73 3is7 h ASP 50 Ca 0.51 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 3is7 h ASP 50 Cb 0.64 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3is7 h ASP 50 CO -0.32 0.81 0.28 -0.33 -1.72 0.00 0.00 179.24 177.96 3is7 h GLU 51 N 0.93 1.13 -0.96 3.56 4.39 -0.42 -2.29 114.58 120.92 3is7 h GLU 51 Ca 0.22 -0.21 0.07 0.00 0.34 0.00 0.00 59.36 59.79 3is7 h GLU 51 Cb 0.17 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 3is7 h GLU 51 CO -0.02 0.93 0.61 0.52 -1.16 0.00 0.00 179.01 179.88 3is7 h MET 52 N 1.09 1.05 -0.48 2.33 2.86 -0.77 -0.44 114.93 120.57 3is7 h MET 52 Ca 0.25 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 3is7 h MET 52 Cb 0.24 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3is7 h MET 52 CO -0.02 0.70 -0.22 0.87 1.06 0.00 0.00 176.91 179.30 3is7 h LYS 53 N 1.08 0.99 -0.75 1.72 1.57 -1.08 -1.39 116.57 118.72 3is7 h LYS 53 Ca 0.43 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3is7 h LYS 53 Cb 0.22 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3is7 h LYS 53 CO -0.19 1.10 0.39 0.45 -0.57 0.00 0.00 179.45 180.63 3is7 h HIS 54 N 0.85 1.03 -0.38 -1.35 3.86 -0.81 -1.93 115.15 116.42 3is7 h HIS 54 Ca 0.11 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 3is7 h HIS 54 Cb 0.80 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 3is7 h HIS 54 CO 0.05 0.73 -0.09 0.00 0.86 0.00 0.00 177.93 179.48 3is7 h ALA 55 N 1.38 1.13 -0.09 2.45 0.00 -0.65 -0.93 119.26 122.55 3is7 h ALA 55 Ca 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3is7 h ALA 55 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3is7 h ALA 55 CO -0.04 0.55 0.02 0.22 0.00 0.00 0.00 179.25 179.99 3is7 h ASP 56 N 0.61 0.14 -0.96 0.00 3.58 -0.95 -0.85 116.42 117.99 3is7 h ASP 56 Ca 0.11 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.31 3is7 h ASP 56 Cb 0.51 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 3is7 h ASP 56 CO 0.03 0.35 0.60 0.11 -2.88 0.00 0.00 179.24 177.46 3is7 h LYS 57 N -0.09 1.29 -0.73 0.28 1.57 -1.03 -1.23 116.57 116.63 3is7 h LYS 57 Ca 0.03 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3is7 h LYS 57 Cb 0.28 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3is7 h LYS 57 CO 0.00 0.88 0.37 -0.07 -0.57 0.00 0.00 179.45 180.06 3is7 h LEU 58 N 1.31 0.94 -0.44 2.94 3.38 -1.00 -1.66 115.31 120.78 3is7 h LEU 58 Ca 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3is7 h LEU 58 Cb -0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3is7 h LEU 58 CO -0.07 0.79 0.12 0.40 0.09 0.00 0.00 178.44 179.77 3is7 h ILE 59 N 1.02 1.23 -0.70 1.22 2.04 -0.54 -1.16 117.51 120.62 3is7 h ILE 59 Ca 0.25 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3is7 h ILE 59 Cb 0.09 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3is7 h ILE 59 CO -0.04 0.28 0.44 -0.33 0.00 0.00 0.00 178.15 178.51 3is7 h GLU 60 N 0.58 0.94 -0.35 2.37 5.08 -1.13 -1.71 114.58 120.35 3is7 h GLU 60 Ca 0.14 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3is7 h GLU 60 Cb 0.30 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3is7 h GLU 60 CO -0.00 0.64 0.09 -0.09 -1.00 0.00 0.00 179.01 178.66 3is7 h ARG 61 N 0.95 0.55 -0.72 2.33 9.65 -1.15 -0.75 114.38 125.24 3is7 h ARG 61 Ca 0.25 -0.13 0.06 0.00 -1.10 0.00 0.00 59.98 59.06 3is7 h ARG 61 Cb -0.07 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.38 3is7 h ARG 61 CO -0.05 0.59 0.42 0.82 2.80 0.00 0.00 179.97 184.56 3is7 h ILE 62 N 0.41 1.00 -0.35 1.20 2.04 -0.85 -1.22 117.51 119.75 3is7 h ILE 62 Ca 0.11 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 3is7 h ILE 62 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3is7 h ILE 62 CO -0.00 0.14 -0.41 -0.07 0.00 0.00 0.00 178.15 177.81 3is7 h LEU 63 N 0.78 0.94 -1.38 1.44 -0.00 -1.19 -1.05 115.31 114.86 3is7 h LEU 63 Ca 0.32 -0.44 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 3is7 h LEU 63 Cb 0.17 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 3is7 h LEU 63 CO -0.17 1.23 0.40 0.15 -0.00 0.00 0.00 178.44 180.05 3is7 h PHE 64 N 0.71 0.78 -0.01 1.13 3.57 -0.37 -1.38 116.94 121.37 3is7 h PHE 64 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3is7 h PHE 64 Cb 1.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.48 3is7 h PHE 64 CO 0.06 0.50 0.00 1.28 -2.23 0.00 0.00 178.31 177.92 3is7 n LEU 65 N -4.44 0.17 -1.36 0.59 4.77 -0.53 -4.88 117.00 111.32 3is7 n LEU 65 Ca 0.06 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 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 0.03 -0.16 -0.62 -1.33 0.00 0.00 177.39 175.68 3is7 n GLU 66 N -0.72 -0.99 -2.60 3.23 1.02 -0.52 -1.63 120.64 118.43 3is7 n GLU 66 Ca 0.16 0.68 -0.23 0.00 -0.02 0.00 0.00 57.16 57.75 3is7 n GLU 66 Cb 0.10 -4.85 0.08 0.00 -0.02 0.00 0.00 31.44 26.75 3is7 n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3is7 s GLY 67 N -2.51 1.78 -0.30 0.62 0.00 -0.48 -4.94 107.32 101.50 3is7 s GLY 67 Ca 0.00 -1.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.09 3is7 s GLY 67 CO 0.00 -1.11 0.07 1.08 0.00 0.00 0.00 173.10 173.13 3is7 s LEU 68 N -5.00 3.89 0.22 0.66 1.43 -1.26 -4.27 118.68 114.34 3is7 s LEU 68 Ca 0.63 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 3is7 s LEU 68 Cb -0.07 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3is7 s LEU 68 CO 0.42 -0.22 1.36 -2.84 0.23 0.00 0.00 176.35 175.30 3is7 s PRO 69 N 1.45 4.35 -0.55 1.29 0.02 -1.26 -4.94 135.00 135.35 3is7 s PRO 69 Ca 0.01 2.14 -0.18 0.00 0.02 0.00 0.00 61.00 63.00 3is7 s PRO 69 Cb -0.18 -3.16 0.10 0.00 0.02 0.00 0.00 34.50 31.28 3is7 s PRO 69 CO 0.02 -0.31 0.60 1.21 -0.33 0.00 0.00 177.00 178.18 3is7 s ASN 70 N 0.35 6.19 0.00 2.53 3.84 -1.26 -4.86 114.94 121.72 3is7 s ASN 70 Ca 0.58 -1.46 0.22 0.00 0.21 0.00 0.00 52.86 52.40 3is7 s ASN 70 Cb -0.38 -2.26 0.62 0.00 -0.55 0.00 0.00 41.25 38.67 3is7 s ASN 70 CO 0.40 -0.96 1.52 0.18 -2.79 0.00 0.00 177.10 175.45 3is7 n LEU 71 N 5.86 3.87 0.03 3.21 4.32 -1.26 -4.56 117.00 128.47 3is7 n LEU 71 Ca -0.11 -2.00 -0.15 0.00 -0.02 0.00 0.00 56.01 53.73 3is7 n LEU 71 Cb 0.42 -0.47 -0.14 0.00 -1.62 0.00 0.00 43.42 41.61 3is7 n LEU 71 CO 0.55 0.97 -0.47 -0.61 -1.22 0.00 0.00 177.39 176.61 3is7 h GLN 72 N 4.10 0.18 -5.18 3.23 5.75 -2.02 -3.45 115.11 117.72 3is7 h GLN 72 Ca 0.00 -0.30 -0.62 0.00 -0.15 0.00 0.00 58.65 57.57 3is7 h GLN 72 Cb 0.97 0.11 -0.14 0.00 1.07 0.00 0.00 27.48 29.49 3is7 h GLN 72 CO 0.00 0.97 -0.24 -0.51 -2.65 0.00 0.00 178.83 176.40 3is7 s ASP 73 N -6.75 6.27 -0.24 -0.69 1.01 -1.26 -5.01 116.67 109.99 3is7 s ASP 73 Ca -0.10 0.31 0.02 0.00 0.71 0.00 0.00 52.55 53.49 3is7 s ASP 73 Cb 0.07 -2.21 0.05 0.00 1.01 0.00 0.00 42.92 41.84 3is7 s ASP 73 CO 0.83 -0.16 -0.13 -0.22 0.21 0.00 0.00 175.17 175.69 3is7 s LEU 74 N 1.95 3.12 0.00 1.23 2.96 -1.26 -4.89 118.68 121.79 3is7 s LEU 74 Ca 0.15 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.87 3is7 s LEU 74 Cb -0.16 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.00 3is7 s LEU 74 CO 0.09 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 3is7 n GLY 75 N 4.49 -1.70 3.65 7.98 0.00 -1.26 -4.93 105.19 113.42 3is7 n GLY 75 Ca -0.16 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.67 4.20 0.16 1.61 2.47 -1.26 -4.90 119.74 120.35 3is7 s LYS 76 Ca 0.00 1.32 -0.30 0.00 -1.56 0.00 0.00 55.97 55.43 3is7 s LYS 76 Cb 0.00 -3.68 -0.08 0.00 -1.46 0.00 0.00 37.83 32.61 3is7 s LYS 76 CO 0.00 -0.72 1.27 -0.51 0.16 0.00 0.00 175.35 175.55 3is7 s LEU 77 N 3.37 4.41 -0.66 5.43 1.02 -1.26 -5.01 118.68 125.98 3is7 s LEU 77 Ca 0.46 2.27 -0.15 0.00 0.02 0.00 0.00 54.13 56.72 3is7 s LEU 77 Cb -0.15 -3.60 0.17 0.00 0.02 0.00 0.00 46.19 42.63 3is7 s LEU 77 CO 0.10 -0.49 0.61 -0.76 0.02 0.00 0.00 176.35 175.83 3is7 s LEU 78 N 0.24 6.42 -0.21 1.79 1.43 -1.26 -5.04 118.68 122.05 3is7 s LEU 78 Ca 0.57 -2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 51.42 3is7 s LEU 78 Cb -0.34 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3is7 s LEU 78 CO 0.35 -0.74 0.11 -0.63 0.23 0.00 0.00 176.35 175.66 3is7 s ILE 79 N 1.01 5.04 0.64 -0.59 -1.09 -1.26 -4.69 121.20 120.26 3is7 s ILE 79 Ca 0.09 0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.55 3is7 s ILE 79 Cb -0.22 -3.31 0.06 0.00 -1.58 0.00 0.00 42.46 37.41 3is7 s ILE 79 CO -0.02 0.40 0.90 -0.83 -1.23 0.00 0.00 174.94 174.17 3is7 s GLY 80 N 0.74 1.77 -0.03 6.18 0.00 -1.26 -4.99 107.32 109.72 3is7 s GLY 80 Ca 0.06 -1.23 0.15 0.00 0.00 0.00 0.00 44.72 43.71 3is7 s GLY 80 CO 0.02 -0.85 0.32 1.18 0.00 0.00 0.00 173.10 173.77 3is7 n GLU 81 N -2.65 0.54 -4.14 2.90 1.02 -1.26 -4.83 120.64 112.23 3is7 n GLU 81 Ca 0.09 -0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 3is7 n GLU 81 Cb 0.60 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 3is7 n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3is7 s ASN 82 N -3.85 0.92 0.13 1.62 2.20 -1.26 -5.04 114.94 109.66 3is7 s ASN 82 Ca -0.06 -1.49 -0.19 0.00 -0.94 0.00 0.00 52.86 50.18 3is7 s ASN 82 Cb 0.10 0.60 -0.04 0.00 -2.00 0.00 0.00 41.25 39.90 3is7 s ASN 82 CO 0.64 -1.18 1.77 0.74 -2.94 0.00 0.00 177.10 176.13 3is7 h THR 83 N 2.19 1.00 -0.97 0.54 2.02 -1.99 -0.71 112.91 115.00 3is7 h THR 83 Ca -0.28 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 66.84 3is7 h THR 83 Cb 1.24 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 3is7 h THR 83 CO 0.40 0.04 0.64 -0.61 0.37 0.00 0.00 175.52 176.36 3is7 h GLN 84 N 0.24 1.22 -0.01 6.66 4.15 -2.00 -0.80 115.11 124.56 3is7 h GLN 84 Ca 0.09 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.24 3is7 h GLN 84 Cb 0.01 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3is7 h GLN 84 CO -0.06 0.81 -0.85 0.93 -1.93 0.00 0.00 178.83 177.73 3is7 h GLU 85 N 1.25 0.28 -0.50 1.69 5.08 -1.87 -2.18 114.58 118.33 3is7 h GLU 85 Ca 0.37 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3is7 h GLU 85 Cb -0.05 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3is7 h GLU 85 CO -0.10 0.97 0.05 0.52 -1.00 0.00 0.00 179.01 179.44 3is7 h MET 86 N 0.16 0.85 -0.37 2.33 2.86 -0.47 0.15 114.93 120.44 3is7 h MET 86 Ca -0.05 -0.25 -0.15 0.00 -2.06 0.00 0.00 59.70 57.20 3is7 h MET 86 Cb 1.46 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 3is7 h MET 86 CO 0.14 0.87 -0.34 -0.07 1.06 0.00 0.00 176.91 178.56 3is7 h LEU 87 N 0.72 0.90 -0.74 1.22 3.38 -1.13 -1.03 115.31 118.65 3is7 h LEU 87 Ca 0.15 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3is7 h LEU 87 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3is7 h LEU 87 CO 0.02 1.16 0.17 -0.61 0.09 0.00 0.00 178.44 179.26 3is7 h GLN 88 N 0.71 1.13 -0.52 1.13 5.75 -1.18 0.73 115.11 122.86 3is7 h GLN 88 Ca 0.07 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3is7 h GLN 88 Cb 0.91 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 3is7 h GLN 88 CO 0.08 0.99 0.34 0.00 -2.65 0.00 0.00 178.83 177.60 3is7 h ASP 90 N 0.70 0.32 -0.50 0.00 5.19 -0.97 -0.79 116.42 120.38 3is7 h ASP 90 Ca 0.19 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3is7 h ASP 90 Cb -0.07 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 3is7 h ASP 90 CO -0.04 0.22 0.31 0.25 -3.12 0.00 0.00 179.24 176.86 3is7 h LEU 91 N 0.47 0.52 -0.38 1.55 5.85 0.11 -0.49 115.31 122.95 3is7 h LEU 91 Ca 0.25 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3is7 h LEU 91 Cb 0.22 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3is7 h LEU 91 CO -0.21 0.37 0.19 0.78 -0.34 0.00 0.00 178.44 179.23 3is7 h ASN 92 N 0.63 0.49 -0.74 1.25 2.35 -0.06 -0.07 115.58 119.43 3is7 h ASN 92 Ca 0.19 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3is7 h ASN 92 Cb -0.02 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 3is7 h ASN 92 CO -0.07 0.46 0.48 0.25 -1.65 0.00 0.00 177.43 176.90 3is7 h LEU 93 N 0.47 0.81 -1.13 1.61 5.85 -0.98 -2.57 115.31 119.36 3is7 h LEU 93 Ca 0.13 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3is7 h LEU 93 Cb 0.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3is7 h LEU 93 CO -0.02 0.57 -0.29 -0.33 -0.34 0.00 0.00 178.44 178.03 3is7 h GLU 94 N 0.95 0.24 -0.35 1.25 4.39 0.22 -1.02 114.58 120.26 3is7 h GLU 94 Ca 0.28 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 3is7 h GLU 94 Cb -0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3is7 h GLU 94 CO -0.09 0.52 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.92 3is7 h LEU 95 N 0.21 0.76 -0.30 1.33 3.38 -0.68 -1.18 115.31 118.83 3is7 h LEU 95 Ca 0.03 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3is7 h LEU 95 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3is7 h LEU 95 CO 0.05 1.00 -0.06 0.50 0.09 0.00 0.00 178.44 180.02 3is7 h LYS 96 N 0.63 0.56 -0.61 1.13 1.63 -1.33 -2.51 116.57 116.06 3is7 h LYS 96 Ca 0.08 -0.21 0.09 0.00 -0.85 0.00 0.00 60.65 59.76 3is7 h LYS 96 Cb 0.80 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.33 3is7 h LYS 96 CO 0.07 0.75 0.25 0.00 -3.45 0.00 0.00 179.45 177.06 3is7 h ALA 97 N 0.80 0.80 -0.40 5.00 0.00 -0.90 -1.35 119.26 123.20 3is7 h ALA 97 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3is7 h ALA 97 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3is7 h ALA 97 CO 0.03 -0.16 -0.19 1.15 0.00 0.00 0.00 179.25 180.07 3is7 h THR 98 N 0.44 1.28 -0.37 0.00 2.02 -1.23 -1.17 112.91 113.88 3is7 h THR 98 Ca 0.31 -1.33 0.04 0.00 0.77 0.00 0.00 66.41 66.20 3is7 h THR 98 Cb 0.36 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3is7 h THR 98 CO -0.29 0.44 0.13 0.50 0.37 0.00 0.00 175.52 176.67 3is7 h LYS 99 N 0.65 0.27 -0.29 6.66 3.64 -1.11 -1.27 116.57 125.12 3is7 h LYS 99 Ca 0.09 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3is7 h LYS 99 Cb 0.75 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3is7 h LYS 99 CO 0.06 0.18 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.82 3is7 h ASP 100 N 0.28 0.50 -0.36 4.20 3.32 -0.93 -2.59 116.42 120.83 3is7 h ASP 100 Ca 0.17 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3is7 h ASP 100 Cb 0.15 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3is7 h ASP 100 CO -0.18 0.69 0.10 -0.07 -1.72 0.00 0.00 179.24 178.06 3is7 h LEU 101 N 0.47 0.54 -0.67 1.55 -0.00 -0.95 -1.16 115.31 115.09 3is7 h LEU 101 Ca 0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3is7 h LEU 101 Cb 0.55 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 3is7 h LEU 101 CO 0.04 0.62 0.42 0.03 -0.00 0.00 0.00 178.44 179.54 3is7 h ARG 102 N 0.44 0.90 -0.44 1.13 3.08 -1.02 0.92 114.38 119.40 3is7 h ARG 102 Ca 0.12 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 3is7 h ARG 102 Cb 0.28 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3is7 h ARG 102 CO -0.00 0.63 -0.04 0.93 -1.07 0.00 0.00 179.97 180.41 3is7 h GLU 103 N 0.91 0.74 0.00 0.04 5.08 -1.38 -1.50 114.58 118.47 3is7 h GLU 103 Ca 0.24 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3is7 h GLU 103 Cb -0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3is7 h GLU 103 CO -0.05 0.78 -0.63 0.00 -1.00 0.00 0.00 179.01 178.11 3is7 h ALA 104 N 1.27 0.95 -0.27 3.43 0.00 -0.65 -2.25 119.26 121.75 3is7 h ALA 104 Ca 0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3is7 h ALA 104 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3is7 h ALA 104 CO 0.02 0.78 -0.21 0.82 0.00 0.00 0.00 179.25 180.67 3is7 h ILE 105 N 0.00 1.31 -0.51 0.00 2.04 -0.29 -1.57 117.51 118.49 3is7 h ILE 105 Ca -0.01 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.59 3is7 h ILE 105 Cb 1.12 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 38.72 3is7 h ILE 105 CO 0.08 0.43 0.05 0.58 0.00 0.00 0.00 178.15 179.29 3is7 h VAL 106 N 0.34 0.66 -0.35 1.67 2.07 -1.14 -1.48 116.25 118.01 3is7 h VAL 106 Ca 0.05 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3is7 h VAL 106 Cb 0.76 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3is7 h VAL 106 CO 0.06 0.03 0.12 -0.74 0.02 0.00 0.00 177.57 177.06 3is7 h HIS 107 N 0.18 0.54 -0.76 1.57 -0.00 -1.21 -1.62 115.15 113.84 3is7 h HIS 107 Ca 0.26 -0.05 0.16 0.00 -0.00 0.00 0.00 60.37 60.74 3is7 h HIS 107 Cb 0.37 -0.16 -0.11 0.00 -0.00 0.00 0.00 27.41 27.52 3is7 h HIS 107 CO -0.27 0.52 0.26 0.00 -0.00 0.00 0.00 177.93 178.43 3is7 h GLU 109 N 0.36 -0.34 -0.98 0.00 4.57 -0.97 0.55 114.58 117.76 3is7 h GLU 109 Ca 0.43 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.78 3is7 h GLU 109 Cb 0.72 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.30 3is7 h GLU 109 CO -0.47 -0.22 0.62 0.37 -1.18 0.00 0.00 179.01 178.13 3is7 h GLN 110 N -0.37 0.86 -0.66 1.92 4.15 -0.76 0.58 115.11 120.82 3is7 h GLN 110 Ca -0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3is7 h GLN 110 Cb 0.28 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3is7 h GLN 110 CO 0.06 0.57 0.00 1.33 -1.93 0.00 0.00 178.83 178.86 3is7 n VAL 111 N -4.64 1.82 -2.48 2.39 0.24 -0.68 -4.93 118.33 110.06 3is7 n VAL 111 Ca 0.20 -1.17 -0.19 0.00 -2.04 0.00 0.00 64.34 61.13 3is7 n VAL 111 Cb 0.43 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.15 -1.06 -2.91 6.34 8.25 0.19 -4.93 115.22 122.26 3is7 n HIS 112 Ca 0.26 0.10 -0.44 0.00 -0.26 0.00 0.00 57.72 57.38 3is7 n HIS 112 Cb 0.89 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 28.28 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 -1.62 5.24 0.11 0.41 -0.08 0.06 -4.84 116.55 115.81 3is7 n ASP 113 Ca -0.19 -3.00 -0.04 0.00 -1.51 0.00 0.00 54.79 50.05 3is7 n ASP 113 Cb 0.65 -1.55 0.13 0.00 2.34 0.00 0.00 41.12 42.70 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 6.95 0.17 -0.24 -0.67 0.05 -1.92 -2.30 116.97 119.02 3is7 h TYR 114 Ca 0.32 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 3is7 h TYR 114 Cb 0.84 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 3is7 h TYR 114 CO 1.10 0.72 -0.18 0.28 -1.05 0.00 0.00 178.16 179.03 3is7 h VAL 115 N 0.10 1.31 -0.66 -2.88 2.07 -1.97 -0.42 116.25 113.80 3is7 h VAL 115 Ca -0.01 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3is7 h VAL 115 Cb 1.13 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 3is7 h VAL 115 CO 0.09 0.41 0.35 0.28 0.02 0.00 0.00 177.57 178.72 3is7 h SER 116 N 0.24 0.49 -0.80 0.57 0.02 -1.96 -1.40 113.55 110.72 3is7 h SER 116 Ca 0.04 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3is7 h SER 116 Cb 0.72 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 3is7 h SER 116 CO 0.05 0.31 0.53 -0.09 -1.14 0.00 0.00 176.83 176.48 3is7 h ARG 117 N 0.63 1.04 -0.76 3.45 2.43 -1.12 -1.04 114.38 119.01 3is7 h ARG 117 Ca 0.30 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3is7 h ARG 117 Cb 0.23 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3is7 h ARG 117 CO -0.21 0.69 0.36 0.22 -1.51 0.00 0.00 179.97 179.52 3is7 h ASP 118 N 1.07 0.99 -0.29 -3.80 3.58 -0.49 0.46 116.42 117.95 3is7 h ASP 118 Ca 0.29 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 3is7 h ASP 118 Cb -0.12 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.67 3is7 h ASP 118 CO -0.07 0.85 0.08 0.25 -2.88 0.00 0.00 179.24 177.47 3is7 h LEU 119 N 1.06 0.43 -0.99 2.28 6.46 -0.83 -2.22 115.31 121.49 3is7 h LEU 119 Ca 0.26 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 3is7 h LEU 119 Cb 0.12 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3is7 h LEU 119 CO -0.03 0.54 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.12 3is7 h LEU 120 N 0.30 0.56 -0.51 2.25 3.38 -0.69 -1.88 115.31 118.73 3is7 h LEU 120 Ca 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3is7 h LEU 120 Cb 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3is7 h LEU 120 CO -0.00 0.72 0.19 0.50 0.09 0.00 0.00 178.44 179.94 3is7 h LYS 121 N 0.53 0.77 -0.66 1.13 3.64 -0.78 0.19 116.57 121.38 3is7 h LYS 121 Ca 0.09 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3is7 h LYS 121 Cb 0.54 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3is7 h LYS 121 CO 0.03 0.69 0.42 -0.44 -2.27 0.00 0.00 179.45 177.89 3is7 h ASP 122 N 0.68 0.71 -0.56 4.20 3.45 -1.13 0.65 116.42 124.42 3is7 h ASP 122 Ca 0.17 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.56 3is7 h ASP 122 Cb 0.22 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 3is7 h ASP 122 CO -0.01 0.50 0.10 0.40 -1.57 0.00 0.00 179.24 178.66 3is7 h ILE 123 N 0.84 1.25 -0.79 0.35 2.04 -0.84 -2.47 117.51 117.89 3is7 h ILE 123 Ca 0.26 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3is7 h ILE 123 Cb -0.02 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3is7 h ILE 123 CO -0.09 0.34 0.47 0.25 0.00 0.00 0.00 178.15 179.13 3is7 h LEU 124 N 0.81 0.95 -0.46 1.44 5.85 0.07 -0.49 115.31 123.48 3is7 h LEU 124 Ca 0.17 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3is7 h LEU 124 Cb 0.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3is7 h LEU 124 CO 0.01 0.73 0.24 -0.08 -0.34 0.00 0.00 178.44 179.00 3is7 h GLU 125 N 1.09 0.64 -0.47 1.25 4.81 -0.65 0.65 114.58 121.90 3is7 h GLU 125 Ca 0.28 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3is7 h GLU 125 Cb -0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3is7 h GLU 125 CO -0.05 0.52 -0.06 1.03 -0.73 0.00 0.00 179.01 179.72 3is7 h SER 126 N 0.60 0.79 0.01 1.04 0.87 -0.97 -1.24 113.55 114.64 3is7 h SER 126 Ca 0.16 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 3is7 h SER 126 Cb 0.07 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3is7 h SER 126 CO -0.02 0.89 -0.30 -0.33 -0.53 0.00 0.00 176.83 176.53 3is7 h GLU 127 N 0.74 0.43 -0.28 2.24 4.39 -0.65 -2.21 114.58 119.24 3is7 h GLU 127 Ca 0.13 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 3is7 h GLU 127 Cb 0.53 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3is7 h GLU 127 CO 0.03 0.69 -0.35 0.93 -1.16 0.00 0.00 179.01 179.15 3is7 h GLU 128 N 0.38 0.63 -0.80 2.33 5.08 -0.37 -1.04 114.58 120.79 3is7 h GLU 128 Ca 0.05 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3is7 h GLU 128 Cb 0.72 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 3is7 h GLU 128 CO 0.06 0.89 0.53 0.93 -1.00 0.00 0.00 179.01 180.41 3is7 h GLU 129 N 0.53 1.04 -0.66 2.33 5.08 -1.01 -1.63 114.58 120.27 3is7 h GLU 129 Ca 0.05 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3is7 h GLU 129 Cb 0.85 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3is7 h GLU 129 CO 0.07 0.69 0.13 1.25 -1.00 0.00 0.00 179.01 180.15 3is7 h HIS 130 N 1.07 1.12 -0.95 4.33 2.76 -0.71 -1.69 115.15 121.08 3is7 h HIS 130 Ca 0.29 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3is7 h HIS 130 Cb -0.12 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.48 3is7 h HIS 130 CO -0.00 0.93 0.58 0.82 -1.30 0.00 0.00 177.93 178.96 3is7 h ILE 131 N 1.00 1.26 0.00 6.26 2.04 -0.74 -1.14 117.51 126.20 3is7 h ILE 131 Ca 0.20 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3is7 h ILE 131 Cb 0.40 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3is7 h ILE 131 CO 0.01 0.27 -0.01 -0.78 0.00 0.00 0.00 178.15 177.64 3is7 h ASP 132 N 1.31 -0.02 -0.52 1.72 3.58 -0.98 0.20 116.42 121.71 3is7 h ASP 132 Ca 0.34 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.85 3is7 h ASP 132 Cb -0.07 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 3is7 h ASP 132 CO -0.07 -0.01 0.24 0.22 -2.88 0.00 0.00 179.24 176.74 3is7 h TYR 133 N -0.02 0.44 -0.21 0.28 3.20 -0.85 -0.49 116.97 119.33 3is7 h TYR 133 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3is7 h TYR 133 Cb 0.02 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3is7 h TYR 133 CO -0.09 0.19 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.32 3is7 h LEU 134 N 0.47 0.58 -0.93 2.82 4.07 -0.67 -0.27 115.31 121.38 3is7 h LEU 134 Ca 0.23 -0.49 -0.09 0.00 0.08 0.00 0.00 57.88 57.62 3is7 h LEU 134 Cb 0.18 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 3is7 h LEU 134 CO -0.19 0.95 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.66 3is7 h GLU 135 N 0.22 0.64 -0.74 1.13 5.08 -0.48 -1.43 114.58 119.00 3is7 h GLU 135 Ca 0.03 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3is7 h GLU 135 Cb 0.80 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3is7 h GLU 135 CO 0.06 0.75 0.21 1.15 -1.00 0.00 0.00 179.01 180.18 3is7 h THR 136 N 0.58 1.26 -0.26 1.13 2.02 -0.68 -1.92 112.91 115.05 3is7 h THR 136 Ca 0.10 -0.94 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 3is7 h THR 136 Cb 0.56 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3is7 h THR 136 CO 0.04 0.37 -0.50 1.56 0.37 0.00 0.00 175.52 177.35 3is7 h GLN 137 N 1.11 0.72 -0.33 6.66 1.08 -0.16 -1.06 115.11 123.13 3is7 h GLN 137 Ca 0.24 -0.43 -0.10 0.00 -1.45 0.00 0.00 58.65 56.91 3is7 h GLN 137 Cb 0.33 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3is7 h GLN 137 CO -0.00 1.05 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.66 3is7 h LEU 138 N 0.57 0.61 -1.38 1.46 -0.00 -1.23 -1.58 115.31 113.76 3is7 h LEU 138 Ca 0.02 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3is7 h LEU 138 Cb 1.07 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.53 3is7 h LEU 138 CO 0.10 0.82 0.33 1.23 -0.00 0.00 0.00 178.44 180.92 3is7 h GLY 139 N 0.99 0.80 1.26 0.83 0.00 -1.02 -3.03 103.07 102.89 3is7 h GLY 139 Ca 0.08 -0.32 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 3is7 h GLY 139 CO 0.05 0.31 -0.79 1.41 0.00 0.00 0.00 176.54 177.52 3is7 h LEU 140 N 0.76 0.86 -0.84 3.11 3.38 -0.53 -1.70 115.31 120.35 3is7 h LEU 140 Ca 0.20 -0.58 0.17 0.00 0.09 0.00 0.00 57.88 57.77 3is7 h LEU 140 Cb -0.02 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 40.37 3is7 h LEU 140 CO -0.04 1.37 0.38 0.40 0.09 0.00 0.00 178.44 180.64 3is7 h ILE 141 N 0.49 0.62 -0.27 1.22 2.04 -1.19 0.22 117.51 120.63 3is7 h ILE 141 Ca -0.05 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 3is7 h ILE 141 Cb 1.41 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3is7 h ILE 141 CO 0.16 0.09 -0.39 1.56 0.00 0.00 0.00 178.15 179.57 3is7 h GLN 142 N 0.50 0.62 0.23 2.37 1.08 -1.44 -1.31 115.11 117.16 3is7 h GLN 142 Ca 0.48 -0.31 -0.34 0.00 -1.45 0.00 0.00 58.65 57.03 3is7 h GLN 142 Cb 0.79 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.25 3is7 h GLN 142 CO -0.43 0.91 -1.55 0.87 -0.95 0.00 0.00 178.83 177.67 3is7 h LYS 143 N 0.52 0.48 0.00 1.46 1.57 -0.19 -3.35 116.57 117.06 3is7 h LYS 143 Ca 0.05 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 3is7 h LYS 143 Cb 0.90 0.31 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3is7 h LYS 143 CO 0.08 1.39 -1.27 1.33 -0.57 0.00 0.00 179.45 180.41 3is7 n VAL 144 N -3.67 0.00 0.00 0.50 0.24 0.62 -5.10 118.33 110.94 3is7 n VAL 144 Ca -0.19 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3is7 n VAL 144 Cb 1.09 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 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 1.43 -0.83 0.26 7.63 0.00 -0.49 -4.45 105.19 108.74 3is7 n GLY 145 Ca 0.02 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.77 0.99 5.85 -1.91 -1.55 115.31 118.73 3is7 h LEU 146 Ca 0.00 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3is7 h LEU 146 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3is7 h LEU 146 CO 0.00 0.81 0.36 -0.33 -0.34 0.00 0.00 178.44 178.94 3is7 h GLU 147 N 0.76 1.12 -0.30 1.25 5.08 -1.93 -1.06 114.58 119.50 3is7 h GLU 147 Ca 0.17 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3is7 h GLU 147 Cb 0.31 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3is7 h GLU 147 CO -0.00 0.88 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.83 3is7 h ASN 148 N 1.09 0.65 -0.53 1.42 2.35 -1.70 -1.85 115.58 117.01 3is7 h ASN 148 Ca 0.26 -0.41 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3is7 h ASN 148 Cb 0.14 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 3is7 h ASN 148 CO -0.03 0.92 0.27 0.22 -1.65 0.00 0.00 177.43 177.15 3is7 h TYR 149 N 0.39 0.49 -0.42 1.19 3.20 -1.07 0.13 116.97 120.87 3is7 h TYR 149 Ca 0.07 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.82 3is7 h TYR 149 Cb 0.67 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3is7 h TYR 149 CO 0.06 0.23 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.47 3is7 h LEU 150 N 0.51 0.94 -0.86 2.82 3.38 -1.18 -2.75 115.31 118.17 3is7 h LEU 150 Ca 0.23 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3is7 h LEU 150 Cb 0.15 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3is7 h LEU 150 CO -0.17 1.15 0.57 -0.61 0.09 0.00 0.00 178.44 179.47 3is7 h GLN 151 N 0.77 1.11 0.00 1.13 4.15 -0.53 -0.45 115.11 121.29 3is7 h GLN 151 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3is7 h GLN 151 Cb 0.84 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3is7 h GLN 151 CO 0.07 0.74 0.00 0.43 -1.93 0.00 0.00 178.83 178.14 3is7 n SER 152 N -4.50 0.60 -0.84 -0.69 7.64 0.37 -2.12 113.62 114.08 3is7 n SER 152 Ca 0.10 0.66 0.07 0.00 1.01 0.00 0.00 58.87 60.71 3is7 n SER 152 Cb 0.03 -0.78 0.21 0.00 -1.01 0.00 0.00 64.21 62.66 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 -2.18 0.71 -0.04 1.43 8.25 -0.21 -4.61 115.22 118.58 3is7 n HIS 153 Ca 0.02 -0.59 -0.13 0.00 -0.26 0.00 0.00 57.72 56.76 3is7 n HIS 153 Cb 0.21 -0.11 -0.08 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 2.35 0.20 -5.90 -0.41 2.07 -1.07 -1.52 114.93 110.65 3is7 h MET 154 Ca 0.00 -0.10 -0.66 0.00 -2.07 0.00 0.00 59.70 56.88 3is7 h MET 154 Cb 0.98 0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 30.62 3is7 h MET 154 CO 0.07 0.60 -0.55 -1.01 1.07 0.00 0.00 176.91 177.10 3is7 s HIS 155 N -4.38 3.38 -2.00 -0.22 3.76 -1.26 -1.97 115.29 112.60 3is7 s HIS 155 Ca -0.15 0.29 0.23 0.00 -0.15 0.00 0.00 55.06 55.29 3is7 s HIS 155 Cb 0.04 -1.80 1.40 0.00 1.11 0.00 0.00 32.58 33.33 3is7 s HIS 155 CO 0.72 0.59 1.77 0.39 -0.85 0.00 0.00 174.74 177.36