#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 2.63 0.22 3.14 0.00 -1.07 -5.00 107.32 107.24 3is7 s GLY 3 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.91 3is7 s GLY 3 CO 0.00 0.88 1.59 -0.35 0.00 0.00 0.00 173.10 175.22 3is7 s ASP 4 N -1.83 6.49 0.24 1.64 2.15 -1.26 -4.93 116.67 119.17 3is7 s ASP 4 Ca 0.56 2.78 -0.05 0.00 0.43 0.00 0.00 52.55 56.27 3is7 s ASP 4 Cb -0.15 -2.61 0.25 0.00 -0.30 0.00 0.00 42.92 40.11 3is7 s ASP 4 CO 0.20 -0.86 1.78 0.50 -0.17 0.00 0.00 175.17 176.61 3is7 h LYS 5 N 5.98 1.01 -0.17 4.34 3.11 -1.98 -1.97 116.57 126.88 3is7 h LYS 5 Ca -0.44 -0.22 -0.15 0.00 -2.81 0.00 0.00 60.65 57.03 3is7 h LYS 5 Cb 1.21 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 3is7 h LYS 5 CO 0.87 0.88 -0.52 0.87 -2.81 0.00 0.00 179.45 178.75 3is7 h LYS 6 N 0.96 0.49 -0.25 1.90 6.56 -1.99 -1.70 116.57 122.54 3is7 h LYS 6 Ca 0.21 -0.29 0.06 0.00 -1.06 0.00 0.00 60.65 59.57 3is7 h LYS 6 Cb 0.32 0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 31.94 3is7 h LYS 6 CO -0.00 0.89 -0.24 0.28 -2.06 0.00 0.00 179.45 178.32 3is7 h VAL 7 N 0.38 0.40 -0.65 0.50 2.07 -1.87 0.16 116.25 117.23 3is7 h VAL 7 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3is7 h VAL 7 Cb 1.03 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3is7 h VAL 7 CO 0.09 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.50 3is7 h ILE 8 N -0.24 1.13 -0.63 4.57 2.04 -1.19 0.28 117.51 123.48 3is7 h ILE 8 Ca 0.14 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3is7 h ILE 8 Cb 0.45 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3is7 h ILE 8 CO -0.39 0.15 0.41 1.56 0.00 0.00 0.00 178.15 179.89 3is7 h GLN 9 N 0.84 0.82 -0.63 2.37 4.20 -1.15 0.17 115.11 121.72 3is7 h GLN 9 Ca 0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3is7 h GLN 9 Cb -0.04 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 3is7 h GLN 9 CO -0.08 0.54 0.28 0.45 -0.67 0.00 0.00 178.83 179.35 3is7 h HIS 10 N 0.84 0.93 -0.54 2.96 3.86 0.28 -0.46 115.15 123.02 3is7 h HIS 10 Ca 0.23 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 3is7 h HIS 10 Cb -0.08 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 3is7 h HIS 10 CO -0.03 0.72 0.10 -0.07 0.86 0.00 0.00 177.93 179.50 3is7 h LEU 11 N 0.87 0.80 -0.96 2.43 3.38 0.08 -0.75 115.31 121.16 3is7 h LEU 11 Ca 0.21 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3is7 h LEU 11 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3is7 h LEU 11 CO -0.02 0.81 -0.23 0.78 0.09 0.00 0.00 178.44 179.87 3is7 h ASN 12 N 0.81 0.49 -0.16 -0.43 2.35 -0.54 -1.18 115.58 116.92 3is7 h ASN 12 Ca 0.17 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3is7 h ASN 12 Cb 0.35 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3is7 h ASN 12 CO 0.00 0.72 -0.05 0.50 -1.65 0.00 0.00 177.43 176.95 3is7 h LYS 13 N 0.44 0.33 -0.43 0.81 3.64 -0.25 0.48 116.57 121.58 3is7 h LYS 13 Ca 0.07 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3is7 h LYS 13 Cb 0.64 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 3is7 h LYS 13 CO 0.05 0.61 0.20 0.82 -2.27 0.00 0.00 179.45 178.86 3is7 h ILE 14 N 0.02 0.96 -0.69 2.00 1.08 -1.10 -1.95 117.51 117.83 3is7 h ILE 14 Ca 0.04 -0.14 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 3is7 h ILE 14 Cb 0.50 0.51 -0.10 0.00 -3.07 0.00 0.00 36.82 34.66 3is7 h ILE 14 CO 0.02 0.07 0.19 0.25 -0.69 0.00 0.00 178.15 177.99 3is7 h LEU 15 N 0.41 0.07 -0.84 1.44 5.85 -1.09 -0.07 115.31 121.08 3is7 h LEU 15 Ca 0.19 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.08 3is7 h LEU 15 Cb 0.11 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3is7 h LEU 15 CO -0.14 0.02 0.52 1.23 -0.34 0.00 0.00 178.44 179.73 3is7 h GLY 16 N 0.31 1.25 1.35 3.75 0.00 -0.45 0.13 103.07 109.40 3is7 h GLY 16 Ca 0.38 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3is7 h GLY 16 CO -0.44 0.28 -0.21 3.43 0.00 0.00 0.00 176.54 179.60 3is7 h ASN 17 N 0.98 0.76 -0.41 0.19 2.35 -0.35 -2.56 115.58 116.54 3is7 h ASN 17 Ca 0.36 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3is7 h ASN 17 Cb 0.12 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3is7 h ASN 17 CO -0.15 0.95 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.20 3is7 h GLU 18 N 0.66 0.84 -0.69 0.81 4.39 -0.30 -1.44 114.58 118.85 3is7 h GLU 18 Ca 0.09 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3is7 h GLU 18 Cb 0.71 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 3is7 h GLU 18 CO 0.05 0.88 0.26 -0.07 -1.16 0.00 0.00 179.01 178.97 3is7 h LEU 19 N 0.77 0.97 -0.29 1.33 3.38 -0.51 -0.06 115.31 120.89 3is7 h LEU 19 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3is7 h LEU 19 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3is7 h LEU 19 CO 0.03 0.89 0.14 0.40 0.09 0.00 0.00 178.44 179.99 3is7 h ILE 20 N 0.99 1.15 -0.58 1.22 2.04 -1.24 -2.96 117.51 118.13 3is7 h ILE 20 Ca 0.23 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3is7 h ILE 20 Cb 0.23 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3is7 h ILE 20 CO -0.02 0.15 0.27 0.00 0.00 0.00 0.00 178.15 178.55 3is7 h ALA 21 N 1.00 0.75 -0.31 1.87 0.00 -0.99 -0.10 119.26 121.49 3is7 h ALA 21 Ca 0.10 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3is7 h ALA 21 Cb 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 3is7 h ALA 21 CO -0.01 0.33 -0.39 0.82 0.00 0.00 0.00 179.25 180.00 3is7 h ILE 22 N 0.79 0.17 -0.43 0.00 2.04 -0.94 -0.45 117.51 118.69 3is7 h ILE 22 Ca 0.20 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.97 3is7 h ILE 22 Cb 0.14 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3is7 h ILE 22 CO -0.02 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.83 3is7 h ASN 23 N -0.36 0.81 -0.28 1.72 4.21 -1.34 -0.95 115.58 119.39 3is7 h ASN 23 Ca 0.13 -0.35 -0.02 0.00 1.21 0.00 0.00 56.30 57.27 3is7 h ASN 23 Cb 0.58 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 3is7 h ASN 23 CO -0.50 0.97 0.10 -0.61 -1.29 0.00 0.00 177.43 176.10 3is7 h GLN 24 N 0.64 0.43 -0.15 0.81 4.15 -0.89 -1.44 115.11 118.66 3is7 h GLN 24 Ca 0.11 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 3is7 h GLN 24 Cb 0.60 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3is7 h GLN 24 CO 0.04 0.48 -0.39 1.88 -1.93 0.00 0.00 178.83 178.90 3is7 h TYR 25 N 0.29 0.37 -0.33 3.99 0.05 -0.99 -0.81 116.97 119.54 3is7 h TYR 25 Ca 0.09 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 3is7 h TYR 25 Cb 0.22 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3is7 h TYR 25 CO 0.00 0.67 -0.32 0.35 -1.05 0.00 0.00 178.16 177.81 3is7 h PHE 26 N 0.27 0.96 -0.18 4.88 3.04 -1.00 0.57 116.94 125.49 3is7 h PHE 26 Ca 0.03 -0.29 -0.05 0.00 3.98 0.00 0.00 57.97 61.64 3is7 h PHE 26 Cb 0.81 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 3is7 h PHE 26 CO 0.02 1.07 -0.10 1.25 -2.02 0.00 0.00 178.31 178.53 3is7 h LEU 27 N 0.58 0.40 -0.63 0.59 5.85 -1.11 -1.33 115.31 119.65 3is7 h LEU 27 Ca 0.05 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.45 3is7 h LEU 27 Cb 0.90 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 3is7 h LEU 27 CO 0.08 0.73 0.25 0.45 -0.34 0.00 0.00 178.44 179.61 3is7 h HIS 28 N 0.06 0.44 -0.28 1.25 3.86 -1.07 0.35 115.15 119.76 3is7 h HIS 28 Ca 0.04 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3is7 h HIS 28 Cb 0.59 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 3is7 h HIS 28 CO 0.07 0.12 0.06 1.03 0.86 0.00 0.00 177.93 180.07 3is7 h SER 29 N 0.44 0.02 0.60 2.45 0.87 -0.62 -0.04 113.55 117.27 3is7 h SER 29 Ca 0.32 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.83 3is7 h SER 29 Cb 0.39 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3is7 h SER 29 CO -0.30 0.05 -0.44 0.03 -0.53 0.00 0.00 176.83 175.63 3is7 h ARG 30 N 0.17 0.00 -0.24 2.24 -0.00 -0.80 0.40 114.38 116.15 3is7 h ARG 30 Ca 0.13 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.55 3is7 h ARG 30 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 3is7 h ARG 30 CO -0.17 0.44 -0.07 0.52 0.00 0.00 0.00 179.97 180.70 3is7 h MET 31 N 0.00 0.48 -0.62 0.04 2.86 -0.48 0.21 114.93 117.42 3is7 h MET 31 Ca -0.00 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3is7 h MET 31 Cb 0.86 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.43 3is7 h MET 31 CO 0.06 0.71 0.29 -1.49 1.06 0.00 0.00 176.91 177.54 3is7 h TRP 32 N 0.22 0.53 -0.59 -0.22 6.55 -0.52 -1.43 115.95 120.49 3is7 h TRP 32 Ca 0.06 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.91 3is7 h TRP 32 Cb 0.54 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.67 3is7 h TRP 32 CO 0.05 0.21 0.29 -0.91 -1.05 0.00 0.00 178.44 177.03 3is7 h ASN 33 N 0.53 0.76 -0.59 -3.49 -0.26 -0.72 -1.34 115.58 110.48 3is7 h ASN 33 Ca 0.30 -0.12 0.08 0.00 -0.56 0.00 0.00 56.30 56.00 3is7 h ASN 33 Cb 0.28 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 3is7 h ASN 33 CO -0.24 0.67 0.39 -0.78 -1.06 0.00 0.00 177.43 176.42 3is7 h ASP 34 N 0.80 0.42 0.51 5.81 3.58 -0.56 -1.44 116.42 125.53 3is7 h ASP 34 Ca 0.20 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3is7 h ASP 34 Cb 0.10 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3is7 h ASP 34 CO -0.03 0.26 -0.16 0.79 -2.88 0.00 0.00 179.24 177.22 3is7 n TRP 35 N -4.47 0.00 -0.76 0.28 8.01 -0.57 -4.92 117.44 115.01 3is7 n TRP 35 Ca 0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 3is7 n TRP 35 Cb 0.32 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 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 1.36 0.56 2.98 6.99 0.00 -0.54 -4.97 105.19 111.56 3is7 n GLY 36 Ca 0.11 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 6.48 0.21 0.99 4.77 -0.58 -4.37 117.00 124.50 3is7 n LEU 37 Ca 0.00 -5.14 0.07 0.00 -0.03 0.00 0.00 56.01 50.91 3is7 n LEU 37 Cb 0.00 -1.30 0.45 0.00 -2.33 0.00 0.00 43.42 40.24 3is7 n LEU 37 CO 0.00 1.66 0.78 0.11 -1.33 0.00 0.00 177.39 178.60 3is7 h LYS 38 N 5.47 0.00 -0.21 3.23 1.57 -0.88 -0.30 116.57 125.44 3is7 h LYS 38 Ca 0.23 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.81 3is7 h LYS 38 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3is7 h LYS 38 CO 1.38 0.30 -0.65 -0.09 -0.57 0.00 0.00 179.45 179.82 3is7 h ARG 39 N 0.00 0.78 -0.34 3.15 2.43 -1.41 -0.34 114.38 118.65 3is7 h ARG 39 Ca -0.00 -0.55 -0.14 0.00 -0.81 0.00 0.00 59.98 58.47 3is7 h ARG 39 Cb 0.66 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3is7 h ARG 39 CO 0.04 1.18 -0.33 -0.07 -1.51 0.00 0.00 179.97 179.28 3is7 h LEU 40 N 0.57 0.89 -0.42 3.80 3.38 -1.53 -1.12 115.31 120.88 3is7 h LEU 40 Ca -0.02 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3is7 h LEU 40 Cb 1.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3is7 h LEU 40 CO 0.14 1.17 0.22 1.23 0.09 0.00 0.00 178.44 181.28 3is7 h GLY 41 N 0.62 0.57 0.88 0.83 0.00 -0.89 -1.45 103.07 103.63 3is7 h GLY 41 Ca 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3is7 h GLY 41 CO 0.08 0.12 -0.15 0.00 0.00 0.00 0.00 176.54 176.59 3is7 h ALA 42 N 1.21 -0.34 -1.00 3.60 0.00 -1.04 -1.40 119.26 120.30 3is7 h ALA 42 Ca 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3is7 h ALA 42 Cb 0.06 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3is7 h ALA 42 CO -0.11 -0.71 0.65 1.25 0.00 0.00 0.00 179.25 180.34 3is7 h HIS 43 N -0.36 1.23 -0.11 0.00 6.17 -1.10 -2.32 115.15 118.66 3is7 h HIS 43 Ca -0.01 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 60.90 3is7 h HIS 43 Cb 0.32 -0.41 0.00 0.00 2.52 0.00 0.00 27.41 29.84 3is7 h HIS 43 CO -0.11 0.72 -0.75 1.49 0.71 0.00 0.00 177.93 179.99 3is7 h GLU 44 N 1.28 0.57 -0.48 5.26 4.57 -1.22 -2.07 114.58 122.49 3is7 h GLU 44 Ca 0.39 -0.46 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3is7 h GLU 44 Cb -0.03 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3is7 h GLU 44 CO -0.11 1.09 0.19 -0.92 -1.18 0.00 0.00 179.01 178.08 3is7 h TYR 45 N 0.39 0.35 -0.70 0.92 3.20 -1.11 -1.03 116.97 118.98 3is7 h TYR 45 Ca -0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3is7 h TYR 45 Cb 1.35 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 3is7 h TYR 45 CO 0.06 0.14 0.35 0.45 -1.64 0.00 0.00 178.16 177.52 3is7 h HIS 46 N 0.39 0.96 -0.73 -3.82 3.86 -1.12 -0.10 115.15 114.60 3is7 h HIS 46 Ca 0.23 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3is7 h HIS 46 Cb 0.21 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 3is7 h HIS 46 CO -0.14 0.69 0.35 0.93 0.86 0.00 0.00 177.93 180.62 3is7 h GLU 47 N 0.98 1.03 -0.40 2.45 4.39 -0.89 -1.27 114.58 120.86 3is7 h GLU 47 Ca 0.24 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3is7 h GLU 47 Cb 0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3is7 h GLU 47 CO -0.04 0.79 0.04 1.03 -1.16 0.00 0.00 179.01 179.68 3is7 h SER 48 N 1.03 0.66 -0.73 1.42 0.87 -0.16 -1.92 113.55 114.70 3is7 h SER 48 Ca 0.25 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3is7 h SER 48 Cb 0.10 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3is7 h SER 48 CO -0.03 0.77 0.47 0.40 -0.53 0.00 0.00 176.83 177.90 3is7 h ILE 49 N 0.52 1.13 -0.93 2.23 1.08 -0.90 -1.39 117.51 119.25 3is7 h ILE 49 Ca 0.12 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3is7 h ILE 49 Cb 0.40 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 3is7 h ILE 49 CO 0.01 0.17 0.55 0.44 -0.69 0.00 0.00 178.15 178.63 3is7 h ASP 50 N 0.93 1.13 -0.33 1.72 3.32 -0.87 -1.45 116.42 120.87 3is7 h ASP 50 Ca 0.29 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3is7 h ASP 50 Cb -0.02 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3is7 h ASP 50 CO -0.10 0.88 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.85 3is7 h GLU 51 N 1.29 0.76 -0.79 3.56 4.39 -0.92 -1.79 114.58 121.08 3is7 h GLU 51 Ca 0.33 -0.26 0.07 0.00 0.34 0.00 0.00 59.36 59.84 3is7 h GLU 51 Cb -0.03 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.49 3is7 h GLU 51 CO -0.06 0.85 0.47 0.52 -1.16 0.00 0.00 179.01 179.64 3is7 h MET 52 N 0.69 0.82 -0.28 2.33 2.86 -0.44 0.12 114.93 121.03 3is7 h MET 52 Ca 0.12 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3is7 h MET 52 Cb 0.60 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3is7 h MET 52 CO 0.04 0.54 -0.22 0.87 1.06 0.00 0.00 176.91 179.20 3is7 h LYS 53 N 0.85 0.53 -0.38 1.72 1.57 -0.97 -1.30 116.57 118.59 3is7 h LYS 53 Ca 0.36 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 3is7 h LYS 53 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3is7 h LYS 53 CO -0.19 0.72 -0.39 0.45 -0.57 0.00 0.00 179.45 179.47 3is7 h HIS 54 N 0.48 1.11 -0.32 -1.35 3.86 -0.59 -2.26 115.15 116.08 3is7 h HIS 54 Ca 0.07 -0.33 0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3is7 h HIS 54 Cb 0.65 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 3is7 h HIS 54 CO 0.02 1.16 -0.07 0.00 0.86 0.00 0.00 177.93 179.90 3is7 h ALA 55 N 0.79 0.22 -0.44 2.45 0.00 -0.43 -1.72 119.26 120.14 3is7 h ALA 55 Ca 0.06 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3is7 h ALA 55 Cb 0.98 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3is7 h ALA 55 CO 0.10 -0.46 -0.11 0.22 0.00 0.00 0.00 179.25 179.00 3is7 h ASP 56 N 0.01 -0.41 -0.98 0.00 3.58 -1.12 -0.33 116.42 117.17 3is7 h ASP 56 Ca 0.16 0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.75 3is7 h ASP 56 Cb 0.23 0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 3is7 h ASP 56 CO -0.32 -0.14 0.65 0.11 -2.88 0.00 0.00 179.24 176.65 3is7 h LYS 57 N 0.00 1.28 -0.42 0.28 1.57 -0.93 -1.25 116.57 117.11 3is7 h LYS 57 Ca 0.21 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 3is7 h LYS 57 Cb 0.33 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3is7 h LYS 57 CO -0.45 0.85 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.04 3is7 h LEU 58 N 1.32 0.86 -0.58 2.94 3.38 -0.73 -2.00 115.31 120.49 3is7 h LEU 58 Ca 0.37 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3is7 h LEU 58 Cb -0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 3is7 h LEU 58 CO -0.09 1.05 0.36 0.40 0.09 0.00 0.00 178.44 180.26 3is7 h ILE 59 N 0.66 1.09 -0.63 1.22 2.04 -0.73 0.24 117.51 121.40 3is7 h ILE 59 Ca 0.10 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3is7 h ILE 59 Cb 0.71 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3is7 h ILE 59 CO 0.05 0.13 0.09 -0.33 0.00 0.00 0.00 178.15 178.09 3is7 h GLU 60 N 0.72 1.05 -0.22 2.37 5.08 -1.00 -1.65 114.58 120.92 3is7 h GLU 60 Ca 0.23 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3is7 h GLU 60 Cb -0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3is7 h GLU 60 CO -0.09 0.98 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.69 3is7 h ARG 61 N 0.96 0.48 -0.44 2.33 9.65 -1.13 -1.00 114.38 125.22 3is7 h ARG 61 Ca 0.19 -0.22 0.07 0.00 -1.10 0.00 0.00 59.98 58.93 3is7 h ARG 61 Cb 0.45 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.96 3is7 h ARG 61 CO 0.01 0.77 0.08 0.82 2.80 0.00 0.00 179.97 184.45 3is7 h ILE 62 N 0.19 0.75 -0.51 1.20 2.04 -0.79 -0.90 117.51 119.49 3is7 h ILE 62 Ca 0.05 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3is7 h ILE 62 Cb 0.63 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3is7 h ILE 62 CO 0.04 0.04 0.05 -0.07 0.00 0.00 0.00 178.15 178.21 3is7 h LEU 63 N 0.21 0.83 -0.75 1.44 4.07 -1.24 -0.76 115.31 119.11 3is7 h LEU 63 Ca 0.22 -0.28 0.05 0.00 0.08 0.00 0.00 57.88 57.95 3is7 h LEU 63 Cb 0.28 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 3is7 h LEU 63 CO -0.30 0.90 0.46 0.15 -1.08 0.00 0.00 178.44 178.57 3is7 h PHE 64 N 0.73 0.84 0.00 1.13 3.57 -0.69 0.10 116.94 122.62 3is7 h PHE 64 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3is7 h PHE 64 Cb 0.44 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3is7 h PHE 64 CO 0.03 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.83 3is7 n LEU 65 N -4.68 0.00 -1.39 0.59 4.77 -0.39 -4.87 117.00 111.03 3is7 n LEU 65 Ca 0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 3is7 n LEU 65 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3is7 n LEU 65 CO 0.31 0.00 -0.16 -0.62 -1.33 0.00 0.00 177.39 175.59 3is7 n GLU 66 N -0.67 -1.08 -2.53 3.23 1.02 0.02 -2.61 120.64 118.03 3is7 n GLU 66 Ca 0.06 0.84 -0.24 0.00 -0.02 0.00 0.00 57.16 57.80 3is7 n GLU 66 Cb 0.03 -5.05 0.09 0.00 -0.02 0.00 0.00 31.44 26.50 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 -2.58 1.77 -0.33 0.62 0.00 -0.35 -4.96 107.32 101.49 3is7 s GLY 67 Ca 0.00 -1.55 -0.07 0.00 0.00 0.00 0.00 44.72 43.10 3is7 s GLY 67 CO 0.00 -1.05 0.10 1.08 0.00 0.00 0.00 173.10 173.23 3is7 s LEU 68 N -5.11 4.17 0.20 0.66 1.43 -1.26 -4.24 118.68 114.53 3is7 s LEU 68 Ca 0.64 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 3is7 s LEU 68 Cb -0.07 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 3is7 s LEU 68 CO 0.44 -0.29 1.37 -2.84 0.23 0.00 0.00 176.35 175.26 3is7 s PRO 69 N 1.44 4.34 -0.51 1.29 0.02 -1.26 -4.94 135.00 135.37 3is7 s PRO 69 Ca -0.00 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 3is7 s PRO 69 Cb -0.19 -3.18 0.08 0.00 0.02 0.00 0.00 34.50 31.23 3is7 s PRO 69 CO 0.03 -0.35 0.52 1.21 -0.33 0.00 0.00 177.00 178.08 3is7 s ASN 70 N 0.51 6.18 0.00 2.53 3.84 -1.26 -4.86 114.94 121.88 3is7 s ASN 70 Ca 0.59 -1.25 0.20 0.00 0.21 0.00 0.00 52.86 52.61 3is7 s ASN 70 Cb -0.38 -2.24 0.44 0.00 -0.55 0.00 0.00 41.25 38.52 3is7 s ASN 70 CO 0.38 -0.81 1.37 0.18 -2.79 0.00 0.00 177.10 175.43 3is7 n LEU 71 N 5.67 3.41 0.01 3.21 4.32 -1.26 -4.62 117.00 127.73 3is7 n LEU 71 Ca -0.10 -1.70 -0.12 0.00 -0.02 0.00 0.00 56.01 54.06 3is7 n LEU 71 Cb 0.44 -0.30 -0.14 0.00 -1.62 0.00 0.00 43.42 41.80 3is7 n LEU 71 CO 0.52 0.79 -0.47 -0.61 -1.22 0.00 0.00 177.39 176.40 3is7 h GLN 72 N 3.81 0.08 -5.10 3.23 5.75 -2.02 -3.45 115.11 117.41 3is7 h GLN 72 Ca 0.00 -0.15 -0.62 0.00 -0.15 0.00 0.00 58.65 57.73 3is7 h GLN 72 Cb 0.90 0.05 -0.14 0.00 1.07 0.00 0.00 27.48 29.36 3is7 h GLN 72 CO 0.00 0.77 -0.47 -0.51 -2.65 0.00 0.00 178.83 175.97 3is7 s ASP 73 N -6.46 6.14 -0.21 -0.69 1.01 -1.26 -5.03 116.67 110.16 3is7 s ASP 73 Ca -0.08 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.34 3is7 s ASP 73 Cb 0.08 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.92 3is7 s ASP 73 CO 0.82 0.04 -0.16 -0.22 0.21 0.00 0.00 175.17 175.86 3is7 s LEU 74 N 1.16 2.67 0.00 1.23 2.96 -1.26 -4.92 118.68 120.52 3is7 s LEU 74 Ca 0.09 -0.91 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 3is7 s LEU 74 Cb -0.14 -1.52 0.09 0.00 0.50 0.00 0.00 46.19 45.12 3is7 s LEU 74 CO 0.05 -0.07 0.28 0.61 -1.32 0.00 0.00 176.35 175.90 3is7 n GLY 75 N 4.57 -2.88 3.66 7.98 0.00 -1.26 -4.96 105.19 112.30 3is7 n GLY 75 Ca -0.18 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.64 4.20 0.19 1.61 2.20 -1.26 -4.92 119.74 118.12 3is7 s LYS 76 Ca 0.19 1.60 -0.30 0.00 -0.36 0.00 0.00 55.97 57.10 3is7 s LYS 76 Cb -0.02 -3.77 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 3is7 s LYS 76 CO 0.15 -0.74 1.17 -0.51 -0.36 0.00 0.00 175.35 175.06 3is7 s LEU 77 N 3.57 4.46 -0.83 5.43 1.02 -1.26 -4.98 118.68 126.10 3is7 s LEU 77 Ca 0.54 2.21 -0.13 0.00 0.02 0.00 0.00 54.13 56.77 3is7 s LEU 77 Cb -0.21 -3.61 0.22 0.00 0.02 0.00 0.00 46.19 42.61 3is7 s LEU 77 CO 0.15 -0.34 0.76 -0.76 0.02 0.00 0.00 176.35 176.18 3is7 s LEU 78 N -0.31 6.68 -0.19 1.79 1.43 -1.26 -5.04 118.68 121.78 3is7 s LEU 78 Ca 0.52 -2.73 -0.14 0.00 -1.03 0.00 0.00 54.13 50.75 3is7 s LEU 78 Cb -0.32 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3is7 s LEU 78 CO 0.37 -0.55 0.29 -0.63 0.23 0.00 0.00 176.35 176.06 3is7 s ILE 79 N 0.10 5.29 0.60 -0.59 -1.09 -1.26 -4.71 121.20 119.53 3is7 s ILE 79 Ca 0.18 0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 59.09 3is7 s ILE 79 Cb -0.11 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3is7 s ILE 79 CO -0.09 0.34 0.87 -0.83 -1.23 0.00 0.00 174.94 174.00 3is7 s GLY 80 N 0.75 1.71 0.00 6.18 0.00 -1.26 -4.97 107.32 109.73 3is7 s GLY 80 Ca 0.15 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.87 3is7 s GLY 80 CO 0.05 -0.73 0.34 -1.84 0.00 0.00 0.00 173.10 170.92 3is7 n GLU 81 N -2.55 3.22 -3.77 2.90 0.28 -1.26 -4.81 120.64 114.65 3is7 n GLU 81 Ca 0.07 -0.31 -0.15 0.00 -0.16 0.00 0.00 57.16 56.61 3is7 n GLU 81 Cb 0.59 -0.83 -0.06 0.00 1.43 0.00 0.00 31.44 32.57 3is7 n GLU 81 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3is7 n ASN 82 N -0.54 -0.57 -0.02 -1.84 0.23 -1.26 -5.04 115.26 106.23 3is7 n ASN 82 Ca 0.01 -2.73 -0.12 0.00 -0.53 0.00 0.00 54.58 51.21 3is7 n ASN 82 Cb 0.07 1.33 -0.06 0.00 -2.08 0.00 0.00 39.78 39.04 3is7 n ASN 82 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3is7 h THR 83 N 1.85 1.17 -0.65 5.53 2.02 -1.99 -0.53 112.91 120.31 3is7 h THR 83 Ca -0.19 -0.52 0.09 0.00 0.77 0.00 0.00 66.41 66.56 3is7 h THR 83 Cb 0.95 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 3is7 h THR 83 CO 0.27 0.15 0.28 -0.61 0.37 0.00 0.00 175.52 175.99 3is7 h GLN 84 N -0.00 0.48 -0.14 6.66 5.75 -1.99 -1.18 115.11 124.69 3is7 h GLN 84 Ca 0.04 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.34 3is7 h GLN 84 Cb 0.21 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3is7 h GLN 84 CO -0.00 0.31 -0.61 0.93 -2.65 0.00 0.00 178.83 176.81 3is7 h GLU 85 N 0.49 0.48 -0.25 1.69 5.08 -1.86 -1.45 114.58 118.76 3is7 h GLU 85 Ca 0.33 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3is7 h GLU 85 Cb 0.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3is7 h GLU 85 CO -0.29 0.95 0.04 0.52 -1.00 0.00 0.00 179.01 179.22 3is7 h MET 86 N 0.36 0.41 -0.39 2.33 2.86 -0.57 0.23 114.93 120.16 3is7 h MET 86 Ca -0.01 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3is7 h MET 86 Cb 1.16 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 3is7 h MET 86 CO 0.11 0.54 0.22 -0.07 1.06 0.00 0.00 176.91 178.77 3is7 h LEU 87 N 0.22 0.34 -0.78 1.22 3.38 -1.22 -0.61 115.31 117.86 3is7 h LEU 87 Ca 0.08 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3is7 h LEU 87 Cb 0.33 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3is7 h LEU 87 CO 0.01 0.25 0.09 -0.61 0.09 0.00 0.00 178.44 178.26 3is7 h GLN 88 N 0.44 1.02 -0.77 1.13 5.75 -0.94 -1.72 115.11 120.01 3is7 h GLN 88 Ca 0.16 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3is7 h GLN 88 Cb 0.03 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3is7 h GLN 88 CO -0.09 0.94 0.49 0.00 -2.65 0.00 0.00 178.83 177.52 3is7 h ASP 90 N 1.04 0.81 0.20 0.00 3.32 -0.59 -1.18 116.42 120.03 3is7 h ASP 90 Ca 0.28 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 3is7 h ASP 90 Cb -0.09 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.26 3is7 h ASP 90 CO -0.06 0.72 -0.80 0.25 -1.72 0.00 0.00 179.24 177.63 3is7 h LEU 91 N 0.88 0.58 -0.96 1.55 5.85 -0.80 0.57 115.31 122.99 3is7 h LEU 91 Ca 0.21 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3is7 h LEU 91 Cb 0.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3is7 h LEU 91 CO -0.02 1.17 0.08 0.78 -0.34 0.00 0.00 178.44 180.10 3is7 h ASN 92 N 0.31 0.79 -0.45 1.25 2.35 -0.58 -1.55 115.58 117.71 3is7 h ASN 92 Ca -0.05 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 3is7 h ASN 92 Cb 1.40 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 3is7 h ASN 92 CO 0.14 0.81 -0.28 0.25 -1.65 0.00 0.00 177.43 176.70 3is7 h LEU 93 N 0.79 1.02 -0.97 1.61 5.85 -0.80 -2.83 115.31 119.99 3is7 h LEU 93 Ca 0.17 -0.42 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 3is7 h LEU 93 Cb 0.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3is7 h LEU 93 CO 0.01 1.22 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.67 3is7 h GLU 94 N 0.83 0.34 -0.33 1.25 4.39 -0.56 -1.70 114.58 118.80 3is7 h GLU 94 Ca 0.09 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 3is7 h GLU 94 Cb 0.87 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 3is7 h GLU 94 CO 0.08 0.64 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.27 3is7 h LEU 95 N 0.30 0.64 -0.44 1.33 3.38 -1.22 -1.44 115.31 117.86 3is7 h LEU 95 Ca 0.04 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3is7 h LEU 95 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3is7 h LEU 95 CO 0.06 0.85 -0.06 0.50 0.09 0.00 0.00 178.44 179.88 3is7 h LYS 96 N 0.56 0.81 -0.48 1.13 1.63 -1.26 -2.73 116.57 116.23 3is7 h LYS 96 Ca 0.08 -0.29 -0.05 0.00 -0.85 0.00 0.00 60.65 59.55 3is7 h LYS 96 Cb 0.69 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 3is7 h LYS 96 CO 0.05 0.90 0.11 0.00 -3.45 0.00 0.00 179.45 177.07 3is7 h ALA 97 N 0.88 1.29 -0.27 5.00 0.00 -1.10 -2.46 119.26 122.60 3is7 h ALA 97 Ca 0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3is7 h ALA 97 Cb 0.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3is7 h ALA 97 CO 0.03 0.50 -0.36 1.15 0.00 0.00 0.00 179.25 180.57 3is7 h THR 98 N 0.71 1.30 -0.04 0.00 2.02 -1.27 -0.99 112.91 114.63 3is7 h THR 98 Ca 0.16 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.80 3is7 h THR 98 Cb 0.27 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3is7 h THR 98 CO -0.00 0.49 -0.01 0.50 0.37 0.00 0.00 175.52 176.87 3is7 h LYS 99 N 0.46 -0.00 -0.85 6.66 3.64 -1.19 -1.38 116.57 123.89 3is7 h LYS 99 Ca 0.03 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3is7 h LYS 99 Cb 0.94 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 3is7 h LYS 99 CO 0.08 -0.00 0.56 -0.44 -2.27 0.00 0.00 179.45 177.38 3is7 h ASP 100 N -0.00 0.84 -0.51 4.20 3.32 -1.41 -2.32 116.42 120.54 3is7 h ASP 100 Ca 0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3is7 h ASP 100 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3is7 h ASP 100 CO -0.05 0.54 0.03 -0.07 -1.72 0.00 0.00 179.24 177.98 3is7 h LEU 101 N 0.96 0.85 -0.37 1.55 -0.00 -0.61 -1.50 115.31 116.19 3is7 h LEU 101 Ca 0.37 -0.29 0.06 0.00 -0.00 0.00 0.00 57.88 58.01 3is7 h LEU 101 Cb 0.20 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 3is7 h LEU 101 CO -0.13 0.93 0.08 0.03 -0.00 0.00 0.00 178.44 179.35 3is7 h ARG 102 N 0.75 0.20 -0.63 1.13 3.08 -0.79 -1.42 114.38 116.69 3is7 h ARG 102 Ca 0.15 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3is7 h ARG 102 Cb 0.48 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3is7 h ARG 102 CO 0.02 0.13 0.08 0.93 -1.07 0.00 0.00 179.97 180.06 3is7 h GLU 103 N 0.20 1.06 -0.64 0.04 5.08 -1.34 -0.39 114.58 118.60 3is7 h GLU 103 Ca 0.18 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3is7 h GLU 103 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3is7 h GLU 103 CO -0.23 0.99 0.22 0.00 -1.00 0.00 0.00 179.01 178.99 3is7 h ALA 104 N 1.02 1.18 -0.55 3.43 0.00 -1.08 -2.35 119.26 120.90 3is7 h ALA 104 Ca 0.19 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3is7 h ALA 104 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3is7 h ALA 104 CO 0.02 0.58 0.04 0.82 0.00 0.00 0.00 179.25 180.70 3is7 h ILE 105 N 0.93 1.26 -0.28 0.00 2.04 -0.77 -0.44 117.51 120.26 3is7 h ILE 105 Ca 0.21 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.07 3is7 h ILE 105 Cb 0.24 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3is7 h ILE 105 CO -0.01 0.38 -0.09 0.58 0.00 0.00 0.00 178.15 179.01 3is7 h VAL 106 N 0.84 0.68 -0.78 1.67 2.07 -0.92 -0.90 116.25 118.91 3is7 h VAL 106 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3is7 h VAL 106 Cb 0.49 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3is7 h VAL 106 CO 0.02 0.00 0.28 -0.74 0.02 0.00 0.00 177.57 177.16 3is7 h HIS 107 N -0.03 1.21 -0.66 1.57 -0.00 -1.12 -0.93 115.15 115.19 3is7 h HIS 107 Ca 0.14 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3is7 h HIS 107 Cb 0.24 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 3is7 h HIS 107 CO -0.29 0.93 0.37 0.00 -0.00 0.00 0.00 177.93 178.94 3is7 h GLU 109 N 0.91 -0.02 -0.92 0.00 4.57 -0.73 0.77 114.58 119.16 3is7 h GLU 109 Ca 0.23 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.58 3is7 h GLU 109 Cb 0.04 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.53 3is7 h GLU 109 CO -0.04 0.02 0.51 0.37 -1.18 0.00 0.00 179.01 178.69 3is7 h GLN 110 N -0.06 0.66 -0.62 1.92 4.15 -0.83 -0.97 115.11 119.36 3is7 h GLN 110 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3is7 h GLN 110 Cb 0.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3is7 h GLN 110 CO 0.00 0.44 0.00 1.33 -1.93 0.00 0.00 178.83 178.67 3is7 n VAL 111 N -4.83 0.83 -2.60 2.39 0.24 -0.81 -4.95 118.33 108.59 3is7 n VAL 111 Ca 0.20 -0.86 -0.16 0.00 -2.04 0.00 0.00 64.34 61.48 3is7 n VAL 111 Cb 0.50 0.51 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 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 1.43 -1.14 -3.08 6.34 8.25 -0.37 -4.95 115.22 121.70 3is7 n HIS 112 Ca 0.22 0.23 -0.44 0.00 -0.26 0.00 0.00 57.72 57.47 3is7 n HIS 112 Cb 0.56 -3.37 0.00 0.00 1.12 0.00 0.00 29.99 28.30 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 -1.13 5.35 0.10 0.41 -0.08 0.13 -4.81 116.55 116.52 3is7 n ASP 113 Ca -0.12 -3.01 -0.04 0.00 -1.51 0.00 0.00 54.79 50.11 3is7 n ASP 113 Cb 0.61 -1.49 0.03 0.00 2.34 0.00 0.00 41.12 42.61 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 6.88 0.00 -0.24 -0.67 0.05 -1.93 -1.15 116.97 119.91 3is7 h TYR 114 Ca 0.27 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.91 3is7 h TYR 114 Cb 0.86 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 3is7 h TYR 114 CO 0.97 0.80 -0.40 0.28 -1.05 0.00 0.00 178.16 178.76 3is7 h VAL 115 N 0.00 1.31 -0.85 -2.88 2.07 -1.97 -0.28 116.25 113.64 3is7 h VAL 115 Ca -0.01 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 3is7 h VAL 115 Cb 1.42 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 3is7 h VAL 115 CO 0.10 0.51 0.47 0.28 0.02 0.00 0.00 177.57 178.95 3is7 h SER 116 N 0.42 1.07 -0.37 0.57 0.02 -1.95 -1.68 113.55 111.63 3is7 h SER 116 Ca 0.02 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3is7 h SER 116 Cb 1.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 3is7 h SER 116 CO 0.09 0.86 0.20 -0.09 -1.14 0.00 0.00 176.83 176.76 3is7 h ARG 117 N 1.19 0.40 -0.17 3.45 2.43 -0.86 -1.57 114.38 119.25 3is7 h ARG 117 Ca 0.30 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3is7 h ARG 117 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3is7 h ARG 117 CO -0.05 0.26 -0.29 0.22 -1.51 0.00 0.00 179.97 178.60 3is7 h ASP 118 N 0.41 0.33 -0.75 -3.80 3.58 -0.62 0.27 116.42 115.83 3is7 h ASP 118 Ca 0.15 -0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.57 3is7 h ASP 118 Cb 0.03 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 3is7 h ASP 118 CO -0.09 0.61 0.42 0.25 -2.88 0.00 0.00 179.24 177.56 3is7 h LEU 119 N 0.29 0.61 -0.25 2.28 6.46 -0.98 -2.50 115.31 121.21 3is7 h LEU 119 Ca 0.04 0.04 -0.21 0.00 -0.12 0.00 0.00 57.88 57.63 3is7 h LEU 119 Cb 0.67 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3is7 h LEU 119 CO 0.05 0.37 -0.87 -0.07 -0.62 0.00 0.00 178.44 177.30 3is7 h LEU 120 N 0.74 0.50 -0.57 2.25 3.38 -0.02 -2.42 115.31 119.17 3is7 h LEU 120 Ca 0.35 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 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 -0.22 1.16 -0.02 0.50 0.09 0.00 0.00 178.44 179.95 3is7 h LYS 121 N 0.24 1.01 -0.76 1.13 1.63 -0.89 0.03 116.57 118.96 3is7 h LYS 121 Ca -0.06 -0.33 0.05 0.00 -0.85 0.00 0.00 60.65 59.46 3is7 h LYS 121 Cb 1.49 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.98 3is7 h LYS 121 CO 0.15 1.01 0.46 -0.44 -3.45 0.00 0.00 179.45 177.18 3is7 h ASP 122 N 0.90 0.72 -0.36 4.20 3.45 -1.31 -0.19 116.42 123.83 3is7 h ASP 122 Ca 0.16 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.58 3is7 h ASP 122 Cb 0.57 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3is7 h ASP 122 CO 0.03 0.47 0.03 0.40 -1.57 0.00 0.00 179.24 178.61 3is7 h ILE 123 N 0.86 1.25 -0.51 0.35 2.04 -1.12 -2.71 117.51 117.67 3is7 h ILE 123 Ca 0.33 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.32 3is7 h ILE 123 Cb 0.13 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3is7 h ILE 123 CO -0.16 0.31 0.24 0.25 0.00 0.00 0.00 178.15 178.79 3is7 h LEU 124 N 0.45 0.34 -0.99 1.44 5.85 -0.78 0.14 115.31 121.75 3is7 h LEU 124 Ca 0.11 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.96 3is7 h LEU 124 Cb 0.41 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3is7 h LEU 124 CO 0.01 0.23 0.63 -0.08 -0.34 0.00 0.00 178.44 178.89 3is7 h GLU 125 N 0.48 1.03 -0.15 1.25 4.81 -0.94 0.91 114.58 121.96 3is7 h GLU 125 Ca 0.23 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 3is7 h GLU 125 Cb 0.15 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3is7 h GLU 125 CO -0.17 0.68 -0.68 1.03 -0.73 0.00 0.00 179.01 179.14 3is7 h SER 126 N 1.06 0.73 -0.13 1.04 0.87 -1.02 -1.92 113.55 114.18 3is7 h SER 126 Ca 0.46 -0.45 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3is7 h SER 126 Cb 0.34 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3is7 h SER 126 CO -0.23 1.21 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.72 3is7 h GLU 127 N 0.45 0.56 -0.17 2.24 4.39 -0.18 -2.02 114.58 119.85 3is7 h GLU 127 Ca -0.02 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 3is7 h GLU 127 Cb 1.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3is7 h GLU 127 CO 0.13 0.75 -0.26 0.93 -1.16 0.00 0.00 179.01 179.40 3is7 h GLU 128 N 0.50 0.31 -0.46 2.33 5.08 -0.65 -0.28 114.58 121.41 3is7 h GLU 128 Ca 0.07 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3is7 h GLU 128 Cb 0.67 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3is7 h GLU 128 CO 0.05 0.56 -0.15 0.93 -1.00 0.00 0.00 179.01 179.40 3is7 h GLU 129 N 0.28 0.87 -0.72 2.33 5.08 -1.02 -0.75 114.58 120.65 3is7 h GLU 129 Ca 0.04 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3is7 h GLU 129 Cb 0.61 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3is7 h GLU 129 CO 0.04 0.96 0.29 1.25 -1.00 0.00 0.00 179.01 180.55 3is7 h HIS 130 N 0.77 1.10 -0.95 4.33 2.76 -0.76 -1.75 115.15 120.65 3is7 h HIS 130 Ca 0.12 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3is7 h HIS 130 Cb 0.67 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 3is7 h HIS 130 CO 0.04 0.85 0.62 0.82 -1.30 0.00 0.00 177.93 178.96 3is7 h ILE 131 N 1.04 1.20 -0.23 6.26 2.04 -0.75 -1.23 117.51 125.84 3is7 h ILE 131 Ca 0.24 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3is7 h ILE 131 Cb 0.21 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3is7 h ILE 131 CO -0.02 0.23 0.15 -0.78 0.00 0.00 0.00 178.15 177.72 3is7 h ASP 132 N 1.24 0.27 -0.48 1.72 3.58 -0.81 -0.99 116.42 120.94 3is7 h ASP 132 Ca 0.36 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.84 3is7 h ASP 132 Cb -0.08 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 3is7 h ASP 132 CO -0.10 0.21 0.22 0.22 -2.88 0.00 0.00 179.24 176.92 3is7 h TYR 133 N 0.30 0.41 -0.09 0.28 3.20 -1.05 -0.22 116.97 119.81 3is7 h TYR 133 Ca 0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3is7 h TYR 133 Cb -0.02 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3is7 h TYR 133 CO -0.06 0.19 0.02 -0.07 -1.64 0.00 0.00 178.16 176.60 3is7 h LEU 134 N 0.44 0.13 -0.94 2.82 4.07 -0.94 0.61 115.31 121.51 3is7 h LEU 134 Ca 0.22 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 3is7 h LEU 134 Cb 0.15 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 3is7 h LEU 134 CO -0.17 0.33 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.16 3is7 h GLU 135 N -0.07 0.74 -0.20 1.13 5.08 -1.13 -1.98 114.58 118.16 3is7 h GLU 135 Ca 0.03 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3is7 h GLU 135 Cb 0.25 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3is7 h GLU 135 CO 0.00 0.78 0.08 1.15 -1.00 0.00 0.00 179.01 180.02 3is7 h THR 136 N 0.69 0.98 -0.57 1.13 2.02 -0.82 -1.14 112.91 115.21 3is7 h THR 136 Ca 0.13 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3is7 h THR 136 Cb 0.47 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3is7 h THR 136 CO 0.02 0.03 0.34 1.56 0.37 0.00 0.00 175.52 177.85 3is7 h GLN 137 N 0.19 0.66 -0.70 6.66 1.08 -0.36 -0.67 115.11 121.96 3is7 h GLN 137 Ca 0.08 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3is7 h GLN 137 Cb 0.03 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 3is7 h GLN 137 CO -0.07 0.43 0.32 -0.07 -0.95 0.00 0.00 178.83 178.50 3is7 h LEU 138 N 0.67 0.92 -0.98 1.46 -0.00 -1.23 -0.54 115.31 115.62 3is7 h LEU 138 Ca 0.23 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.94 3is7 h LEU 138 Cb 0.03 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 3is7 h LEU 138 CO -0.10 0.79 0.09 1.23 -0.00 0.00 0.00 178.44 180.45 3is7 h GLY 139 N 1.07 0.90 1.61 0.83 0.00 -0.92 -2.82 103.07 103.72 3is7 h GLY 139 Ca 0.24 -0.54 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 3is7 h GLY 139 CO -0.03 0.51 -0.74 1.41 0.00 0.00 0.00 176.54 177.68 3is7 h LEU 140 N 0.80 0.46 -0.65 3.11 3.38 -0.22 -1.85 115.31 120.34 3is7 h LEU 140 Ca 0.17 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3is7 h LEU 140 Cb 0.35 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3is7 h LEU 140 CO 0.00 1.05 0.35 0.40 0.09 0.00 0.00 178.44 180.34 3is7 h ILE 141 N 0.26 0.96 -0.70 1.22 2.04 -0.89 -0.53 117.51 119.88 3is7 h ILE 141 Ca -0.03 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3is7 h ILE 141 Cb 1.32 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3is7 h ILE 141 CO 0.13 0.12 0.37 1.56 0.00 0.00 0.00 178.15 180.33 3is7 h GLN 142 N 0.66 0.98 0.07 2.37 1.08 -1.35 -1.67 115.11 117.24 3is7 h GLN 142 Ca 0.29 -0.12 -0.25 0.00 -1.45 0.00 0.00 58.65 57.12 3is7 h GLN 142 Cb 0.18 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3is7 h GLN 142 CO -0.18 0.74 -1.09 0.87 -0.95 0.00 0.00 178.83 178.23 3is7 h LYS 143 N 0.96 0.33 -0.00 1.46 1.57 -0.82 -3.34 116.57 116.72 3is7 h LYS 143 Ca 0.24 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3is7 h LYS 143 Cb 0.06 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3is7 h LYS 143 CO -0.04 1.15 -0.57 1.33 -0.57 0.00 0.00 179.45 180.75 3is7 n VAL 144 N -3.64 0.00 0.00 0.50 0.24 -0.25 -5.10 118.33 110.08 3is7 n VAL 144 Ca -0.07 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3is7 n VAL 144 Cb 0.93 1.07 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 1.28 -2.18 0.25 7.63 0.00 -0.63 -4.35 105.19 107.18 3is7 n GLY 145 Ca 0.04 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 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 0.72 -0.53 0.99 5.85 -1.91 -1.18 115.31 119.25 3is7 h LEU 146 Ca 0.00 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3is7 h LEU 146 Cb 0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3is7 h LEU 146 CO 0.00 0.58 0.15 -0.33 -0.34 0.00 0.00 178.44 178.50 3is7 h GLU 147 N 0.80 0.84 -0.60 1.25 5.08 -1.93 -0.23 114.58 119.78 3is7 h GLU 147 Ca 0.21 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3is7 h GLU 147 Cb 0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3is7 h GLU 147 CO -0.04 0.78 0.28 -0.91 -1.00 0.00 0.00 179.01 178.13 3is7 h ASN 148 N 0.74 0.78 -0.44 1.42 2.35 -1.72 -1.08 115.58 117.63 3is7 h ASN 148 Ca 0.17 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3is7 h ASN 148 Cb 0.31 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 3is7 h ASN 148 CO -0.00 0.70 0.19 0.22 -1.65 0.00 0.00 177.43 176.89 3is7 h TYR 149 N 0.81 0.35 -0.41 1.19 3.20 -0.86 -0.71 116.97 120.55 3is7 h TYR 149 Ca 0.20 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 3is7 h TYR 149 Cb 0.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3is7 h TYR 149 CO 0.00 0.16 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.40 3is7 h LEU 150 N 0.39 0.89 -0.67 2.82 3.38 -0.95 -3.00 115.31 118.18 3is7 h LEU 150 Ca 0.20 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3is7 h LEU 150 Cb 0.14 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3is7 h LEU 150 CO -0.17 1.11 0.36 -0.61 0.09 0.00 0.00 178.44 179.22 3is7 h GLN 151 N 0.68 0.64 0.00 1.13 4.15 -0.67 -0.17 115.11 120.87 3is7 h GLN 151 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3is7 h GLN 151 Cb 0.78 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3is7 h GLN 151 CO 0.06 0.42 0.00 0.43 -1.93 0.00 0.00 178.83 177.81 3is7 n SER 152 N -4.81 0.00 -0.37 -0.69 7.64 -0.32 -2.40 113.62 112.67 3is7 n SER 152 Ca 0.09 0.36 0.03 0.00 1.01 0.00 0.00 58.87 60.36 3is7 n SER 152 Cb 0.19 -0.42 0.09 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.42 0.27 0.01 1.43 8.25 -0.09 -4.64 115.22 119.03 3is7 n HIS 153 Ca 0.04 -0.52 -0.13 0.00 -0.26 0.00 0.00 57.72 56.85 3is7 n HIS 153 Cb 0.11 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 3is7 n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3is7 h MET 154 N 1.13 -0.05 -5.73 -0.41 2.07 -1.29 -1.33 114.93 109.32 3is7 h MET 154 Ca 0.00 0.00 -0.67 0.00 -2.07 0.00 0.00 59.70 56.96 3is7 h MET 154 Cb 0.66 0.01 -0.09 0.00 -1.87 0.00 0.00 31.60 30.32 3is7 h MET 154 CO 0.01 0.37 -0.51 -1.01 1.07 0.00 0.00 176.91 176.84 3is7 s HIS 155 N -4.41 3.50 -2.14 -0.22 3.76 -1.26 -2.17 115.29 112.35 3is7 s HIS 155 Ca -0.15 0.45 0.31 0.00 -0.15 0.00 0.00 55.06 55.51 3is7 s HIS 155 Cb 0.02 -1.90 1.67 0.00 1.11 0.00 0.00 32.58 33.48 3is7 s HIS 155 CO 0.65 0.68 2.09 0.39 -0.85 0.00 0.00 174.74 177.70