#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is7 n ASP 4 N 0.00 3.44 -0.26 1.61 2.03 -1.26 -4.87 116.55 117.23 3is7 n ASP 4 Ca 0.00 1.07 0.02 0.00 0.52 0.00 0.00 54.79 56.39 3is7 n ASP 4 Cb 0.00 -1.48 0.23 0.00 -0.72 0.00 0.00 41.12 39.16 3is7 n ASP 4 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3is7 h LYS 5 N 6.42 1.02 0.12 -0.67 3.11 -2.00 -2.36 116.57 122.21 3is7 h LYS 5 Ca -0.44 -0.06 -0.28 0.00 -2.81 0.00 0.00 60.65 57.06 3is7 h LYS 5 Cb 1.24 -0.23 0.01 0.00 -1.00 0.00 0.00 32.23 32.25 3is7 h LYS 5 CO 0.91 0.67 -1.21 0.87 -2.81 0.00 0.00 179.45 177.89 3is7 h LYS 6 N 1.05 0.41 -0.77 1.90 1.57 -1.99 -2.02 116.57 116.73 3is7 h LYS 6 Ca 0.32 -0.60 0.17 0.00 -1.87 0.00 0.00 60.65 58.68 3is7 h LYS 6 Cb -0.00 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.40 3is7 h LYS 6 CO -0.09 1.26 0.18 0.28 -0.57 0.00 0.00 179.45 180.51 3is7 h VAL 7 N 0.16 0.47 -0.35 0.50 2.07 -1.89 0.53 116.25 117.74 3is7 h VAL 7 Ca -0.15 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3is7 h VAL 7 Cb 1.90 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3is7 h VAL 7 CO 0.21 0.05 -0.34 0.40 0.02 0.00 0.00 177.57 177.91 3is7 h ILE 8 N 0.26 1.28 -0.81 4.57 2.04 -1.21 0.13 117.51 123.77 3is7 h ILE 8 Ca 0.44 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3is7 h ILE 8 Cb 0.78 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3is7 h ILE 8 CO -0.54 0.49 0.48 1.56 0.00 0.00 0.00 178.15 180.14 3is7 h GLN 9 N 0.66 1.10 0.08 2.37 4.20 -0.71 -0.41 115.11 122.40 3is7 h GLN 9 Ca 0.07 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3is7 h GLN 9 Cb 0.88 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3is7 h GLN 9 CO 0.08 0.78 -0.04 0.45 -0.67 0.00 0.00 178.83 179.43 3is7 h HIS 10 N 1.11 -0.10 -0.67 2.96 3.86 -0.25 -0.21 115.15 121.87 3is7 h HIS 10 Ca 0.29 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.63 3is7 h HIS 10 Cb -0.03 0.03 -0.13 0.00 1.06 0.00 0.00 27.41 28.34 3is7 h HIS 10 CO -0.00 0.17 -0.23 -0.07 0.86 0.00 0.00 177.93 178.66 3is7 h LEU 11 N -0.36 -0.82 -1.53 2.43 3.38 -0.68 0.17 115.31 117.89 3is7 h LEU 11 Ca -0.01 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3is7 h LEU 11 Cb 0.31 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3is7 h LEU 11 CO 0.02 -0.26 -0.06 0.78 0.09 0.00 0.00 178.44 179.01 3is7 h ASN 12 N -0.05 0.21 -0.10 -0.43 2.35 -0.95 0.42 115.58 117.03 3is7 h ASN 12 Ca 0.30 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3is7 h ASN 12 Cb 0.53 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3is7 h ASN 12 CO -0.71 0.30 -0.16 0.50 -1.65 0.00 0.00 177.43 175.72 3is7 h LYS 13 N 0.22 0.29 -0.83 0.81 3.64 0.77 -0.75 116.57 120.72 3is7 h LYS 13 Ca 0.05 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3is7 h LYS 13 Cb 0.26 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3is7 h LYS 13 CO 0.01 0.75 0.51 0.82 -2.27 0.00 0.00 179.45 179.27 3is7 h ILE 14 N -0.15 1.05 -0.64 2.00 1.08 -0.34 -2.22 117.51 118.29 3is7 h ILE 14 Ca 0.01 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 3is7 h ILE 14 Cb 0.72 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 3is7 h ILE 14 CO 0.04 0.17 0.34 0.25 -0.69 0.00 0.00 178.15 178.26 3is7 h LEU 15 N 0.95 0.80 -0.90 1.44 5.85 0.05 -0.75 115.31 122.75 3is7 h LEU 15 Ca 0.36 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 3is7 h LEU 15 Cb 0.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3is7 h LEU 15 CO -0.16 0.66 -0.19 1.23 -0.34 0.00 0.00 178.44 179.64 3is7 h GLY 16 N 0.97 0.65 1.03 3.75 0.00 -0.66 -1.65 103.07 107.15 3is7 h GLY 16 Ca 0.23 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3is7 h GLY 16 CO -0.03 0.46 0.17 3.43 0.00 0.00 0.00 176.54 180.56 3is7 h ASN 17 N 0.54 0.97 -0.92 0.19 2.35 -0.59 -2.55 115.58 115.56 3is7 h ASN 17 Ca 0.09 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3is7 h ASN 17 Cb 0.62 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3is7 h ASN 17 CO 0.04 0.95 0.61 -0.33 -1.65 0.00 0.00 177.43 177.05 3is7 h GLU 18 N 0.95 1.19 -0.13 0.81 4.39 -0.88 -1.69 114.58 119.22 3is7 h GLU 18 Ca 0.20 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 3is7 h GLU 18 Cb 0.35 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3is7 h GLU 18 CO 0.00 0.79 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.16 3is7 h LEU 19 N 1.23 0.30 -0.20 1.33 3.38 -1.12 0.61 115.31 120.83 3is7 h LEU 19 Ca 0.34 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3is7 h LEU 19 Cb -0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3is7 h LEU 19 CO -0.08 0.68 -0.06 0.40 0.09 0.00 0.00 178.44 179.47 3is7 h ILE 20 N 0.24 1.29 -0.54 1.22 2.04 -1.07 -3.12 117.51 117.56 3is7 h ILE 20 Ca 0.02 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3is7 h ILE 20 Cb 0.82 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 3is7 h ILE 20 CO 0.06 0.32 0.34 0.00 0.00 0.00 0.00 178.15 178.88 3is7 h ALA 21 N 0.73 0.69 -0.32 1.87 0.00 -0.68 -1.36 119.26 120.19 3is7 h ALA 21 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3is7 h ALA 21 Cb 0.51 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3is7 h ALA 21 CO 0.02 0.15 -0.23 0.82 0.00 0.00 0.00 179.25 180.01 3is7 h ILE 22 N 0.73 0.40 -0.18 0.00 2.04 -0.94 0.15 117.51 119.70 3is7 h ILE 22 Ca 0.20 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.84 3is7 h ILE 22 Cb -0.05 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3is7 h ILE 22 CO -0.04 0.00 -0.73 0.78 0.00 0.00 0.00 178.15 178.16 3is7 h ASN 23 N -0.19 0.94 0.27 1.72 4.21 -1.46 -1.14 115.58 119.93 3is7 h ASN 23 Ca 0.16 -0.59 -0.01 0.00 1.21 0.00 0.00 56.30 57.07 3is7 h ASN 23 Cb 0.45 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3is7 h ASN 23 CO -0.43 1.40 -0.13 -0.61 -1.29 0.00 0.00 177.43 176.36 3is7 h GLN 24 N 0.57 -0.34 -0.91 0.81 4.15 -0.91 -0.49 115.11 117.98 3is7 h GLN 24 Ca -0.04 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.45 3is7 h GLN 24 Cb 1.35 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 29.07 3is7 h GLN 24 CO 0.15 -0.10 0.59 1.88 -1.93 0.00 0.00 178.83 179.42 3is7 h TYR 25 N -0.54 1.10 -0.30 3.99 0.05 -0.79 0.14 116.97 120.62 3is7 h TYR 25 Ca -0.04 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 3is7 h TYR 25 Cb 0.40 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3is7 h TYR 25 CO -0.01 0.62 -0.07 0.35 -1.05 0.00 0.00 178.16 178.00 3is7 h PHE 26 N 1.13 0.65 -0.37 4.88 3.04 -1.01 0.88 116.94 126.13 3is7 h PHE 26 Ca 0.37 -0.14 -0.10 0.00 3.98 0.00 0.00 57.97 62.08 3is7 h PHE 26 Cb 0.04 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 3is7 h PHE 26 CO -0.01 0.77 -0.16 1.25 -2.02 0.00 0.00 178.31 178.14 3is7 h LEU 27 N 0.34 0.78 -0.65 0.59 5.85 -0.83 -1.82 115.31 119.57 3is7 h LEU 27 Ca 0.07 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.47 3is7 h LEU 27 Cb 0.56 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3is7 h LEU 27 CO 0.03 1.00 0.34 0.45 -0.34 0.00 0.00 178.44 179.92 3is7 h HIS 28 N 0.56 0.63 -0.44 1.25 3.86 -0.40 0.03 115.15 120.63 3is7 h HIS 28 Ca 0.09 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.41 3is7 h HIS 28 Cb 0.69 -0.19 -0.09 0.00 1.06 0.00 0.00 27.41 28.89 3is7 h HIS 28 CO 0.06 0.28 -0.15 1.03 0.86 0.00 0.00 177.93 180.01 3is7 h SER 29 N 0.63 -0.53 0.92 2.45 0.87 -0.45 0.05 113.55 117.49 3is7 h SER 29 Ca 0.30 0.15 -0.15 0.00 -1.23 0.00 0.00 61.79 60.86 3is7 h SER 29 Cb 0.23 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3is7 h SER 29 CO -0.20 -0.19 -0.70 0.03 -0.53 0.00 0.00 176.83 175.24 3is7 h ARG 30 N -0.05 0.00 -0.31 2.24 -0.00 -0.89 -0.67 114.38 114.69 3is7 h ARG 30 Ca 0.21 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.61 3is7 h ARG 30 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 3is7 h ARG 30 CO -0.48 0.70 -0.12 0.52 0.00 0.00 0.00 179.97 180.59 3is7 h MET 31 N 0.00 0.64 -0.70 0.04 2.86 -0.59 0.05 114.93 117.22 3is7 h MET 31 Ca -0.01 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3is7 h MET 31 Cb 1.35 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 3is7 h MET 31 CO 0.09 0.84 0.45 -1.49 1.06 0.00 0.00 176.91 177.87 3is7 h TRP 32 N 0.40 0.85 -0.44 -0.22 6.55 -0.60 -1.67 115.95 120.82 3is7 h TRP 32 Ca 0.07 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.94 3is7 h TRP 32 Cb 0.64 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 3is7 h TRP 32 CO 0.06 0.51 0.29 -0.91 -1.05 0.00 0.00 178.44 177.33 3is7 h ASN 33 N 0.90 0.49 -0.54 -3.49 -0.26 -1.03 0.15 115.58 111.80 3is7 h ASN 33 Ca 0.27 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 56.04 3is7 h ASN 33 Cb -0.04 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 3is7 h ASN 33 CO -0.09 0.36 0.36 -0.78 -1.06 0.00 0.00 177.43 176.22 3is7 h ASP 34 N 0.58 0.51 0.20 5.81 3.58 -0.78 -0.65 116.42 125.68 3is7 h ASP 34 Ca 0.16 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3is7 h ASP 34 Cb -0.06 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.87 3is7 h ASP 34 CO -0.04 0.35 -0.05 0.79 -2.88 0.00 0.00 179.24 177.41 3is7 n TRP 35 N -4.47 0.00 -1.00 0.28 8.01 -0.65 -4.91 117.44 114.69 3is7 n TRP 35 Ca 0.07 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.26 3is7 n TRP 35 Cb 0.17 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.31 29.37 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 1.18 0.40 3.04 6.99 0.00 -0.25 -4.98 105.19 111.57 3is7 n GLY 36 Ca 0.18 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.01 6.34 0.18 0.99 4.77 -0.04 -4.53 117.00 124.69 3is7 n LEU 37 Ca -0.00 -5.12 0.02 0.00 -0.03 0.00 0.00 56.01 50.88 3is7 n LEU 37 Cb 0.00 -1.33 0.32 0.00 -2.33 0.00 0.00 43.42 40.09 3is7 n LEU 37 CO 0.00 1.60 0.67 0.11 -1.33 0.00 0.00 177.39 178.44 3is7 h LYS 38 N 5.64 0.00 -0.29 3.23 1.57 -1.09 -1.33 116.57 124.30 3is7 h LYS 38 Ca 0.22 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 3is7 h LYS 38 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3is7 h LYS 38 CO 1.33 0.43 -0.42 -0.09 -0.57 0.00 0.00 179.45 180.13 3is7 h ARG 39 N 0.00 0.72 -0.02 3.15 2.43 -1.50 0.26 114.38 119.42 3is7 h ARG 39 Ca -0.00 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3is7 h ARG 39 Cb 0.79 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3is7 h ARG 39 CO 0.06 1.00 0.00 -0.07 -1.51 0.00 0.00 179.97 179.45 3is7 h LEU 40 N 0.58 0.03 -0.55 3.80 3.38 -1.59 -1.95 115.31 119.01 3is7 h LEU 40 Ca 0.04 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.83 3is7 h LEU 40 Cb 0.97 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 3is7 h LEU 40 CO 0.09 0.30 0.13 1.23 0.09 0.00 0.00 178.44 180.28 3is7 h GLY 41 N -0.23 0.70 0.98 0.83 0.00 -1.09 -0.80 103.07 103.45 3is7 h GLY 41 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3is7 h GLY 41 CO 0.00 -0.08 0.27 0.00 0.00 0.00 0.00 176.54 176.73 3is7 h ALA 42 N 1.42 0.60 -0.39 3.60 0.00 -0.45 -1.06 119.26 122.98 3is7 h ALA 42 Ca 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3is7 h ALA 42 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3is7 h ALA 42 CO -0.35 0.11 0.08 1.25 0.00 0.00 0.00 179.25 180.34 3is7 h HIS 43 N 0.62 0.66 -0.16 0.00 6.17 -1.06 -2.12 115.15 119.26 3is7 h HIS 43 Ca 0.17 -0.09 -0.08 0.00 0.71 0.00 0.00 60.37 61.08 3is7 h HIS 43 Cb 0.03 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 3is7 h HIS 43 CO -0.02 0.65 -0.24 1.49 0.71 0.00 0.00 177.93 180.52 3is7 h GLU 44 N 0.48 0.29 -0.67 5.26 4.57 -1.10 -1.49 114.58 121.92 3is7 h GLU 44 Ca 0.12 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3is7 h GLU 44 Cb 0.34 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3is7 h GLU 44 CO 0.00 0.52 0.35 -0.92 -1.18 0.00 0.00 179.01 177.78 3is7 h TYR 45 N 0.26 0.93 0.00 0.92 3.20 -0.84 -1.54 116.97 119.90 3is7 h TYR 45 Ca 0.04 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3is7 h TYR 45 Cb 0.58 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3is7 h TYR 45 CO 0.01 0.67 -0.47 0.45 -1.64 0.00 0.00 178.16 177.18 3is7 h HIS 46 N 0.91 0.00 -0.42 -3.82 3.86 -0.72 -1.30 115.15 113.67 3is7 h HIS 46 Ca 0.23 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 3is7 h HIS 46 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3is7 h HIS 46 CO -0.00 0.47 -0.07 0.93 0.86 0.00 0.00 177.93 180.12 3is7 h GLU 47 N 0.00 0.79 -0.44 2.45 4.39 -0.93 -1.94 114.58 118.90 3is7 h GLU 47 Ca -0.00 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 3is7 h GLU 47 Cb 0.89 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 3is7 h GLU 47 CO 0.06 0.90 0.27 1.03 -1.16 0.00 0.00 179.01 180.10 3is7 h SER 48 N 0.61 0.53 -0.65 1.42 0.87 -0.66 -1.93 113.55 113.73 3is7 h SER 48 Ca 0.11 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3is7 h SER 48 Cb 0.59 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 3is7 h SER 48 CO 0.04 0.42 0.33 0.40 -0.53 0.00 0.00 176.83 177.49 3is7 h ILE 49 N 0.58 0.91 -0.28 2.23 1.08 -1.19 0.48 117.51 121.32 3is7 h ILE 49 Ca 0.16 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 3is7 h ILE 49 Cb -0.01 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 3is7 h ILE 49 CO -0.03 0.11 -0.07 0.44 -0.69 0.00 0.00 178.15 177.91 3is7 h ASP 50 N 0.60 0.42 0.73 1.72 5.19 -0.84 -0.83 116.42 123.41 3is7 h ASP 50 Ca 0.31 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.49 3is7 h ASP 50 Cb 0.26 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3is7 h ASP 50 CO -0.22 0.53 -0.66 -0.33 -3.12 0.00 0.00 179.24 175.45 3is7 h GLU 51 N 0.42 0.00 -0.81 3.56 4.39 -0.45 -2.47 114.58 119.22 3is7 h GLU 51 Ca 0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3is7 h GLU 51 Cb 0.38 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 3is7 h GLU 51 CO 0.02 0.66 0.37 0.52 -1.16 0.00 0.00 179.01 179.42 3is7 h MET 52 N 0.00 1.18 -0.10 2.33 2.86 0.38 -0.58 114.93 121.00 3is7 h MET 52 Ca -0.01 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 3is7 h MET 52 Cb 1.20 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3is7 h MET 52 CO 0.09 0.92 -0.42 0.87 1.06 0.00 0.00 176.91 179.42 3is7 h LYS 53 N 1.16 0.23 -0.24 1.72 1.57 -1.02 -2.25 116.57 117.73 3is7 h LYS 53 Ca 0.28 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3is7 h LYS 53 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3is7 h LYS 53 CO -0.03 0.62 -0.11 0.45 -0.57 0.00 0.00 179.45 179.81 3is7 h HIS 54 N 0.19 0.58 -0.36 -1.35 3.86 -1.03 -1.90 115.15 115.14 3is7 h HIS 54 Ca 0.02 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3is7 h HIS 54 Cb 0.83 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 3is7 h HIS 54 CO 0.01 0.76 0.08 0.00 0.86 0.00 0.00 177.93 179.64 3is7 h ALA 55 N 0.73 1.46 -0.12 2.45 0.00 -0.94 -1.66 119.26 121.19 3is7 h ALA 55 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3is7 h ALA 55 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3is7 h ALA 55 CO 0.03 0.39 0.07 0.22 0.00 0.00 0.00 179.25 179.97 3is7 h ASP 56 N 0.52 0.14 -0.48 0.00 3.58 -1.26 -1.07 116.42 117.85 3is7 h ASP 56 Ca 0.12 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 3is7 h ASP 56 Cb 0.22 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 3is7 h ASP 56 CO -0.00 0.14 0.27 0.11 -2.88 0.00 0.00 179.24 176.88 3is7 h LYS 57 N 0.13 0.69 -0.20 0.28 1.79 -0.70 -2.15 116.57 116.40 3is7 h LYS 57 Ca 0.04 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 3is7 h LYS 57 Cb 0.03 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3is7 h LYS 57 CO -0.01 0.52 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.53 3is7 h LEU 58 N 0.70 0.59 -0.67 2.94 3.38 -0.91 -1.97 115.31 119.37 3is7 h LEU 58 Ca 0.18 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3is7 h LEU 58 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3is7 h LEU 58 CO -0.03 0.98 0.40 0.40 0.09 0.00 0.00 178.44 180.28 3is7 h ILE 59 N 0.22 1.02 -0.41 1.22 2.04 -1.15 0.55 117.51 121.00 3is7 h ILE 59 Ca 0.02 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3is7 h ILE 59 Cb 0.85 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3is7 h ILE 59 CO 0.06 0.14 -0.04 -0.33 0.00 0.00 0.00 178.15 177.98 3is7 h GLU 60 N 0.75 0.75 -0.21 2.37 5.08 -1.23 -1.51 114.58 120.57 3is7 h GLU 60 Ca 0.29 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3is7 h GLU 60 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3is7 h GLU 60 CO -0.15 0.85 0.09 -0.09 -1.00 0.00 0.00 179.01 178.72 3is7 h ARG 61 N 0.57 0.31 -0.14 2.33 9.65 -0.80 -1.14 114.38 125.16 3is7 h ARG 61 Ca 0.11 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3is7 h ARG 61 Cb 0.54 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 3is7 h ARG 61 CO 0.03 0.35 -0.14 0.82 2.80 0.00 0.00 179.97 183.83 3is7 h ILE 62 N 0.20 0.61 -0.77 1.20 2.04 -0.77 -0.58 117.51 119.44 3is7 h ILE 62 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3is7 h ILE 62 Cb 0.15 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3is7 h ILE 62 CO -0.01 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.53 3is7 h LEU 63 N -0.17 0.71 -1.42 1.44 4.07 -1.25 -0.17 115.31 118.51 3is7 h LEU 63 Ca 0.10 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 3is7 h LEU 63 Cb 0.31 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3is7 h LEU 63 CO -0.24 0.45 -0.27 0.15 -1.08 0.00 0.00 178.44 177.45 3is7 h PHE 64 N 0.84 0.03 -0.04 1.13 3.57 -0.35 -1.88 116.94 120.23 3is7 h PHE 64 Ca 0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3is7 h PHE 64 Cb 0.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3is7 h PHE 64 CO -0.05 0.30 0.00 1.28 -2.23 0.00 0.00 178.31 177.60 3is7 n LEU 65 N -4.21 0.88 -0.58 0.59 4.77 -0.31 -4.90 117.00 113.25 3is7 n LEU 65 Ca -0.02 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 3is7 n LEU 65 Cb 0.33 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3is7 n LEU 65 CO 0.38 0.16 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.91 3is7 n GLU 66 N -0.27 -0.43 -2.68 3.23 1.02 -0.71 -2.97 120.64 117.82 3is7 n GLU 66 Ca 0.19 0.40 -0.22 0.00 -0.02 0.00 0.00 57.16 57.51 3is7 n GLU 66 Cb 0.23 -4.19 0.09 0.00 -0.02 0.00 0.00 31.44 27.55 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 -2.80 1.77 -0.30 0.62 0.00 -0.15 -5.00 107.32 101.45 3is7 s GLY 67 Ca 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 42.91 3is7 s GLY 67 CO 0.00 -1.24 0.06 1.08 0.00 0.00 0.00 173.10 173.00 3is7 s LEU 68 N -5.00 3.93 0.27 0.66 1.43 -1.26 -4.26 118.68 114.45 3is7 s LEU 68 Ca 0.64 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3is7 s LEU 68 Cb -0.06 -1.84 -0.11 0.00 0.03 0.00 0.00 46.19 44.21 3is7 s LEU 68 CO 0.42 -0.24 1.58 -2.84 0.23 0.00 0.00 176.35 175.51 3is7 s PRO 69 N 1.43 4.15 -0.50 1.29 0.02 -1.26 -4.94 135.00 135.18 3is7 s PRO 69 Ca 0.00 2.53 -0.17 0.00 0.02 0.00 0.00 61.00 63.38 3is7 s PRO 69 Cb -0.18 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.36 3is7 s PRO 69 CO 0.01 -0.61 0.53 1.21 -0.33 0.00 0.00 177.00 177.81 3is7 s ASN 70 N 0.59 6.19 0.00 2.53 3.84 -1.26 -4.86 114.94 121.96 3is7 s ASN 70 Ca 0.64 -1.20 0.15 0.00 0.21 0.00 0.00 52.86 52.67 3is7 s ASN 70 Cb -0.47 -2.24 0.41 0.00 -0.55 0.00 0.00 41.25 38.40 3is7 s ASN 70 CO 0.45 -0.81 1.33 0.18 -2.79 0.00 0.00 177.10 175.46 3is7 n LEU 71 N 5.72 3.24 -0.00 3.21 4.32 -1.26 -4.57 117.00 127.65 3is7 n LEU 71 Ca -0.10 -1.91 -0.08 0.00 -0.02 0.00 0.00 56.01 53.89 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 0.80 -0.37 -0.61 -1.22 0.00 0.00 177.39 176.51 3is7 h GLN 72 N 2.91 0.01 -5.08 3.23 5.75 -2.02 -3.45 115.11 116.46 3is7 h GLN 72 Ca 0.00 -0.01 -0.62 0.00 -0.15 0.00 0.00 58.65 57.87 3is7 h GLN 72 Cb 0.82 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.22 3is7 h GLN 72 CO 0.00 0.63 -0.46 -0.51 -2.65 0.00 0.00 178.83 175.84 3is7 s ASP 73 N -6.26 6.14 -0.18 -0.69 1.01 -1.26 -5.04 116.67 110.39 3is7 s ASP 73 Ca -0.04 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.37 3is7 s ASP 73 Cb 0.08 -2.13 0.03 0.00 1.01 0.00 0.00 42.92 41.91 3is7 s ASP 73 CO 0.82 0.00 -0.15 -0.22 0.21 0.00 0.00 175.17 175.84 3is7 s LEU 74 N 1.33 2.05 0.00 1.23 2.96 -1.26 -4.90 118.68 120.09 3is7 s LEU 74 Ca 0.09 -0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 3is7 s LEU 74 Cb -0.14 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.28 3is7 s LEU 74 CO 0.07 -0.07 0.12 0.61 -1.32 0.00 0.00 176.35 175.76 3is7 n GLY 75 N 4.69 -2.20 3.66 7.98 0.00 -1.26 -4.97 105.19 113.08 3is7 n GLY 75 Ca -0.17 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.26 4.24 0.05 1.61 2.47 -1.26 -4.94 119.74 118.65 3is7 s LYS 76 Ca 0.07 1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 55.33 3is7 s LYS 76 Cb -0.01 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.69 3is7 s LYS 76 CO 0.06 -0.53 1.06 -0.51 0.16 0.00 0.00 175.35 175.59 3is7 s LEU 77 N 2.84 4.40 -0.56 5.43 1.02 -1.26 -5.00 118.68 125.55 3is7 s LEU 77 Ca 0.40 1.84 -0.20 0.00 0.02 0.00 0.00 54.13 56.19 3is7 s LEU 77 Cb -0.16 -3.58 0.08 0.00 0.02 0.00 0.00 46.19 42.55 3is7 s LEU 77 CO 0.08 -0.30 0.72 -0.76 0.02 0.00 0.00 176.35 176.11 3is7 s LEU 78 N 0.74 5.02 -0.24 1.79 1.43 -1.26 -5.03 118.68 121.12 3is7 s LEU 78 Ca 0.53 -1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 3is7 s LEU 78 Cb -0.25 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 3is7 s LEU 78 CO 0.29 -1.07 0.00 -0.63 0.23 0.00 0.00 176.35 175.17 3is7 s ILE 79 N 2.91 3.67 0.59 -0.59 -1.09 -1.26 -4.73 121.20 120.70 3is7 s ILE 79 Ca 0.15 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 58.05 3is7 s ILE 79 Cb -0.21 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 3is7 s ILE 79 CO 0.10 0.35 0.91 -0.83 -1.23 0.00 0.00 174.94 174.23 3is7 s GLY 80 N 1.51 1.60 0.00 6.18 0.00 -1.26 -4.98 107.32 110.37 3is7 s GLY 80 Ca 0.05 -0.63 0.11 0.00 0.00 0.00 0.00 44.72 44.26 3is7 s GLY 80 CO -0.01 -0.35 1.03 -1.84 0.00 0.00 0.00 173.10 171.93 3is7 n GLU 81 N -2.59 1.56 -3.94 2.90 0.28 -1.26 -4.74 120.64 112.85 3is7 n GLU 81 Ca 0.04 -1.56 -0.09 0.00 -0.16 0.00 0.00 57.16 55.40 3is7 n GLU 81 Cb 0.57 -1.24 -0.03 0.00 1.43 0.00 0.00 31.44 32.17 3is7 n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3is7 s ASN 82 N -0.97 -0.05 0.16 -1.84 2.20 -1.26 -5.02 114.94 108.16 3is7 s ASN 82 Ca 0.18 -0.90 -0.15 0.00 -0.94 0.00 0.00 52.86 51.05 3is7 s ASN 82 Cb 0.11 0.66 0.07 0.00 -2.00 0.00 0.00 41.25 40.09 3is7 s ASN 82 CO 0.15 -1.27 1.78 0.74 -2.94 0.00 0.00 177.10 175.56 3is7 h THR 83 N 2.14 0.97 -0.65 0.54 2.02 -1.99 0.14 112.91 116.08 3is7 h THR 83 Ca -0.25 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3is7 h THR 83 Cb 1.25 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3is7 h THR 83 CO 0.32 0.08 0.35 -0.61 0.37 0.00 0.00 175.52 176.03 3is7 h GLN 84 N 0.42 0.91 -0.36 6.66 4.15 -1.99 -0.96 115.11 123.94 3is7 h GLN 84 Ca 0.18 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3is7 h GLN 84 Cb 0.08 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3is7 h GLN 84 CO -0.12 0.70 0.09 0.93 -1.93 0.00 0.00 178.83 178.49 3is7 h GLU 85 N 0.89 0.57 -0.51 1.69 5.08 -1.79 -1.50 114.58 119.01 3is7 h GLU 85 Ca 0.23 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3is7 h GLU 85 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3is7 h GLU 85 CO -0.04 0.62 0.27 0.52 -1.00 0.00 0.00 179.01 179.39 3is7 h MET 86 N 0.43 0.51 -0.61 2.33 2.86 -0.60 0.31 114.93 120.17 3is7 h MET 86 Ca 0.11 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3is7 h MET 86 Cb 0.31 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3is7 h MET 86 CO 0.00 0.34 0.21 -0.07 1.06 0.00 0.00 176.91 178.45 3is7 h LEU 87 N 0.53 0.86 -0.75 1.22 3.38 -1.00 -0.64 115.31 118.91 3is7 h LEU 87 Ca 0.22 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3is7 h LEU 87 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3is7 h LEU 87 CO -0.14 0.82 0.19 -0.61 0.09 0.00 0.00 178.44 178.79 3is7 h GLN 88 N 0.85 1.14 -0.69 1.13 5.75 -1.05 0.52 115.11 122.76 3is7 h GLN 88 Ca 0.20 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3is7 h GLN 88 Cb 0.25 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3is7 h GLN 88 CO -0.01 0.99 0.29 0.00 -2.65 0.00 0.00 178.83 177.45 3is7 h ASP 90 N 0.97 0.63 -0.25 0.00 5.19 -0.97 -1.83 116.42 120.17 3is7 h ASP 90 Ca 0.23 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.43 3is7 h ASP 90 Cb 0.19 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3is7 h ASP 90 CO -0.02 0.72 -0.09 0.25 -3.12 0.00 0.00 179.24 176.98 3is7 h LEU 91 N 0.63 0.50 -0.48 1.55 5.85 0.44 -2.01 115.31 121.79 3is7 h LEU 91 Ca 0.13 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3is7 h LEU 91 Cb 0.42 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3is7 h LEU 91 CO 0.02 0.78 0.29 0.78 -0.34 0.00 0.00 178.44 179.97 3is7 h ASN 92 N 0.23 0.57 -0.92 1.25 2.35 -0.21 -1.63 115.58 117.22 3is7 h ASN 92 Ca 0.06 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3is7 h ASN 92 Cb 0.57 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 3is7 h ASN 92 CO 0.03 0.45 0.58 0.25 -1.65 0.00 0.00 177.43 177.09 3is7 h LEU 93 N 0.64 0.91 -0.64 1.61 5.85 -1.30 -2.58 115.31 119.80 3is7 h LEU 93 Ca 0.17 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3is7 h LEU 93 Cb -0.02 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3is7 h LEU 93 CO -0.03 0.58 -0.68 -0.33 -0.34 0.00 0.00 178.44 177.63 3is7 h GLU 94 N 1.04 0.00 -0.28 1.25 4.39 -0.71 -1.33 114.58 118.94 3is7 h GLU 94 Ca 0.40 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.04 3is7 h GLU 94 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3is7 h GLU 94 CO -0.18 0.68 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.21 3is7 h LEU 95 N 0.00 0.54 -0.18 1.33 3.38 -0.99 -1.73 115.31 117.66 3is7 h LEU 95 Ca -0.01 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.63 3is7 h LEU 95 Cb 1.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3is7 h LEU 95 CO 0.09 0.78 -0.00 0.50 0.09 0.00 0.00 178.44 179.89 3is7 h LYS 96 N 0.30 0.05 -0.74 1.13 1.63 -1.41 -1.13 116.57 116.40 3is7 h LYS 96 Ca 0.07 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.96 3is7 h LYS 96 Cb 0.54 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.11 3is7 h LYS 96 CO 0.03 0.03 0.48 0.00 -3.45 0.00 0.00 179.45 176.55 3is7 h ALA 97 N 1.16 1.81 0.11 5.00 0.00 -1.12 -1.29 119.26 124.93 3is7 h ALA 97 Ca 0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 3is7 h ALA 97 Cb 0.11 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.77 3is7 h ALA 97 CO -0.15 0.05 -1.18 1.15 0.00 0.00 0.00 179.25 179.11 3is7 h THR 98 N 0.66 1.30 -0.57 0.00 2.02 -1.13 -1.25 112.91 113.94 3is7 h THR 98 Ca 0.34 -2.43 0.08 0.00 0.77 0.00 0.00 66.41 65.16 3is7 h THR 98 Cb 0.43 2.71 -0.06 0.00 -1.74 0.00 0.00 68.15 69.49 3is7 h THR 98 CO -0.12 0.74 0.24 0.50 0.37 0.00 0.00 175.52 177.25 3is7 h LYS 99 N 0.22 0.43 -0.15 6.66 3.64 -0.78 -2.50 116.57 124.09 3is7 h LYS 99 Ca -0.18 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 3is7 h LYS 99 Cb 1.87 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 3is7 h LYS 99 CO 0.23 0.29 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.93 3is7 h ASP 100 N 0.44 0.31 -0.21 4.20 3.32 -1.06 -2.84 116.42 120.59 3is7 h ASP 100 Ca 0.28 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3is7 h ASP 100 Cb 0.29 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3is7 h ASP 100 CO -0.25 0.63 0.07 -0.07 -1.72 0.00 0.00 179.24 177.90 3is7 h LEU 101 N 0.27 0.30 -0.60 1.55 -0.00 -1.10 -1.39 115.31 114.34 3is7 h LEU 101 Ca 0.03 -0.19 0.05 0.00 -0.00 0.00 0.00 57.88 57.77 3is7 h LEU 101 Cb 0.71 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.24 3is7 h LEU 101 CO 0.05 0.41 0.34 0.03 -0.00 0.00 0.00 178.44 179.27 3is7 h ARG 102 N 0.18 0.62 -0.65 1.13 3.08 -1.22 -0.62 114.38 116.89 3is7 h ARG 102 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3is7 h ARG 102 Cb 0.21 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3is7 h ARG 102 CO -0.00 0.41 0.36 0.93 -1.07 0.00 0.00 179.97 180.60 3is7 h GLU 103 N 0.64 0.91 -0.47 0.04 5.08 -1.44 -1.16 114.58 118.17 3is7 h GLU 103 Ca 0.26 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3is7 h GLU 103 Cb 0.12 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3is7 h GLU 103 CO -0.15 0.68 0.05 0.00 -1.00 0.00 0.00 179.01 178.59 3is7 h ALA 104 N 1.18 1.21 -0.28 3.43 0.00 -1.02 -2.47 119.26 121.31 3is7 h ALA 104 Ca 0.23 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3is7 h ALA 104 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3is7 h ALA 104 CO -0.04 0.53 -0.06 0.82 0.00 0.00 0.00 179.25 180.50 3is7 h ILE 105 N 0.70 1.28 -0.35 0.00 2.04 -0.16 -1.64 117.51 119.38 3is7 h ILE 105 Ca 0.15 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 65.01 3is7 h ILE 105 Cb 0.36 1.41 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 3is7 h ILE 105 CO 0.01 0.34 -0.38 0.58 0.00 0.00 0.00 178.15 178.69 3is7 h VAL 106 N 0.28 0.17 -0.77 1.67 2.07 -1.17 -0.79 116.25 117.72 3is7 h VAL 106 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3is7 h VAL 106 Cb 0.52 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3is7 h VAL 106 CO 0.03 0.00 0.51 -0.74 0.02 0.00 0.00 177.57 177.38 3is7 h HIS 107 N -0.33 0.97 -0.67 1.57 -0.00 -1.17 -1.02 115.15 114.52 3is7 h HIS 107 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 3is7 h HIS 107 Cb 0.57 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 3is7 h HIS 107 CO -0.56 0.62 0.31 0.00 -0.00 0.00 0.00 177.93 178.29 3is7 h GLU 109 N 0.93 0.69 -0.01 0.00 4.57 -0.57 -0.43 114.58 119.76 3is7 h GLU 109 Ca 0.23 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.21 3is7 h GLU 109 Cb 0.14 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3is7 h GLU 109 CO -0.03 0.46 -0.71 0.37 -1.18 0.00 0.00 179.01 177.92 3is7 h GLN 110 N 0.71 0.09 -0.61 1.92 4.15 -0.66 -2.10 115.11 118.60 3is7 h GLN 110 Ca 0.30 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3is7 h GLN 110 Cb 0.16 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3is7 h GLN 110 CO -0.17 0.76 0.00 1.33 -1.93 0.00 0.00 178.83 178.82 3is7 n VAL 111 N -3.73 1.26 -2.34 2.39 0.24 -0.73 -4.96 118.33 110.45 3is7 n VAL 111 Ca -0.02 -0.84 -0.19 0.00 -2.04 0.00 0.00 64.34 61.26 3is7 n VAL 111 Cb 0.69 0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.12 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 0.81 -0.87 -2.89 6.34 8.25 -0.65 -4.93 115.22 121.28 3is7 n HIS 112 Ca 0.19 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.21 3is7 n HIS 112 Cb 0.66 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 28.12 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 -1.55 5.35 0.23 0.41 -0.08 -0.26 -4.80 116.55 115.85 3is7 n ASP 113 Ca -0.22 -3.06 0.12 0.00 -1.51 0.00 0.00 54.79 50.12 3is7 n ASP 113 Cb 0.67 -1.49 0.43 0.00 2.34 0.00 0.00 41.12 43.07 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 6.59 0.00 -0.18 -0.67 0.05 -1.92 -2.28 116.97 118.56 3is7 h TYR 114 Ca 0.30 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.91 3is7 h TYR 114 Cb 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.54 3is7 h TYR 114 CO 1.06 0.14 -0.54 0.28 -1.05 0.00 0.00 178.16 178.05 3is7 h VAL 115 N 0.00 1.32 -0.70 -2.88 2.07 -1.97 -1.93 116.25 112.17 3is7 h VAL 115 Ca -0.00 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 65.71 3is7 h VAL 115 Cb 0.79 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 3is7 h VAL 115 CO 0.02 0.55 0.32 0.28 0.02 0.00 0.00 177.57 178.76 3is7 h SER 116 N 0.37 0.93 -0.38 0.57 0.02 -1.92 -2.13 113.55 111.02 3is7 h SER 116 Ca -0.02 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3is7 h SER 116 Cb 1.16 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 3is7 h SER 116 CO 0.12 0.82 0.24 -0.09 -1.14 0.00 0.00 176.83 176.77 3is7 h ARG 117 N 0.98 0.51 -0.34 3.45 2.43 -1.41 -1.28 114.38 118.72 3is7 h ARG 117 Ca 0.24 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3is7 h ARG 117 Cb 0.15 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 3is7 h ARG 117 CO -0.03 0.36 0.01 0.22 -1.51 0.00 0.00 179.97 179.03 3is7 h ASP 118 N 0.50 -0.11 -0.14 -3.80 3.58 -1.01 -0.51 116.42 114.94 3is7 h ASP 118 Ca 0.14 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.71 3is7 h ASP 118 Cb -0.02 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 3is7 h ASP 118 CO -0.03 -0.02 -0.23 0.25 -2.88 0.00 0.00 179.24 176.33 3is7 h LEU 119 N 0.11 -0.72 -1.31 2.28 6.46 -1.22 -1.68 115.31 119.23 3is7 h LEU 119 Ca 0.16 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 3is7 h LEU 119 Cb 0.22 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 3is7 h LEU 119 CO -0.26 -0.28 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.14 3is7 h LEU 120 N -0.29 0.36 -0.43 2.25 3.38 -1.02 -1.69 115.31 117.87 3is7 h LEU 120 Ca 0.10 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3is7 h LEU 120 Cb 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3is7 h LEU 120 CO -0.31 0.47 -0.10 0.50 0.09 0.00 0.00 178.44 179.10 3is7 h LYS 121 N 0.37 0.82 -0.79 1.13 3.64 -0.60 0.13 116.57 121.27 3is7 h LYS 121 Ca 0.08 -0.31 0.08 0.00 -1.27 0.00 0.00 60.65 59.22 3is7 h LYS 121 Cb 0.35 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 3is7 h LYS 121 CO 0.02 0.94 0.46 -0.44 -2.27 0.00 0.00 179.45 178.15 3is7 h ASP 122 N 0.65 0.68 -0.34 4.20 3.32 -0.83 -1.01 116.42 123.09 3is7 h ASP 122 Ca 0.11 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3is7 h ASP 122 Cb 0.63 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3is7 h ASP 122 CO 0.04 0.41 -0.13 0.40 -1.72 0.00 0.00 179.24 178.24 3is7 h ILE 123 N 0.81 1.26 -0.55 0.35 2.04 -0.80 -2.34 117.51 118.28 3is7 h ILE 123 Ca 0.36 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 3is7 h ILE 123 Cb 0.26 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3is7 h ILE 123 CO -0.21 0.41 0.00 0.25 0.00 0.00 0.00 178.15 178.60 3is7 h LEU 124 N 0.71 0.95 -0.84 1.44 5.85 -0.11 -0.93 115.31 122.37 3is7 h LEU 124 Ca 0.11 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3is7 h LEU 124 Cb 0.62 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3is7 h LEU 124 CO 0.04 1.02 0.43 -0.08 -0.34 0.00 0.00 178.44 179.52 3is7 h GLU 125 N 0.85 1.18 -0.52 1.25 4.81 -1.10 0.16 114.58 121.21 3is7 h GLU 125 Ca 0.16 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3is7 h GLU 125 Cb 0.53 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3is7 h GLU 125 CO 0.03 0.89 -0.03 1.03 -0.73 0.00 0.00 179.01 180.19 3is7 h SER 126 N 1.18 0.89 -0.35 1.04 0.87 -1.16 -1.73 113.55 114.28 3is7 h SER 126 Ca 0.29 -0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3is7 h SER 126 Cb 0.07 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3is7 h SER 126 CO -0.04 0.97 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.58 3is7 h GLU 127 N 0.83 0.88 -0.37 2.24 4.39 -0.69 -1.97 114.58 119.88 3is7 h GLU 127 Ca 0.15 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 3is7 h GLU 127 Cb 0.54 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3is7 h GLU 127 CO 0.03 1.06 0.14 0.93 -1.16 0.00 0.00 179.01 180.01 3is7 h GLU 128 N 0.74 0.53 -0.56 2.33 5.08 -0.80 0.19 114.58 122.09 3is7 h GLU 128 Ca 0.08 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3is7 h GLU 128 Cb 0.87 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3is7 h GLU 128 CO 0.08 0.45 0.19 0.93 -1.00 0.00 0.00 179.01 179.65 3is7 h GLU 129 N 0.53 0.86 -0.65 2.33 5.08 -1.09 0.12 114.58 121.76 3is7 h GLU 129 Ca 0.13 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3is7 h GLU 129 Cb 0.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3is7 h GLU 129 CO -0.01 0.77 0.42 1.25 -1.00 0.00 0.00 179.01 180.44 3is7 h HIS 130 N 0.78 0.83 -0.57 4.33 2.76 -0.73 -1.27 115.15 121.27 3is7 h HIS 130 Ca 0.18 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3is7 h HIS 130 Cb 0.26 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 3is7 h HIS 130 CO 0.02 0.53 0.26 0.82 -1.30 0.00 0.00 177.93 178.26 3is7 h ILE 131 N 0.88 1.21 -0.41 6.26 2.04 -0.61 0.50 117.51 127.38 3is7 h ILE 131 Ca 0.24 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3is7 h ILE 131 Cb -0.08 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 3is7 h ILE 131 CO -0.05 0.25 -0.14 -0.78 0.00 0.00 0.00 178.15 177.42 3is7 h ASP 132 N 0.77 -0.51 -0.11 1.72 1.82 -0.67 0.00 116.42 119.45 3is7 h ASP 132 Ca 0.19 0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.98 3is7 h ASP 132 Cb 0.15 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 3is7 h ASP 132 CO -0.02 -0.18 0.05 0.22 -1.61 0.00 0.00 179.24 177.70 3is7 h TYR 133 N -0.06 0.10 -0.48 0.28 3.20 -0.63 -0.57 116.97 118.81 3is7 h TYR 133 Ca 0.20 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3is7 h TYR 133 Cb 0.36 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3is7 h TYR 133 CO -0.40 0.06 0.31 -0.07 -1.64 0.00 0.00 178.16 176.43 3is7 h LEU 134 N 0.12 0.53 -0.71 2.82 4.07 -0.40 0.10 115.31 121.84 3is7 h LEU 134 Ca 0.04 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 3is7 h LEU 134 Cb 0.00 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3is7 h LEU 134 CO -0.03 0.38 -0.47 -0.33 -1.08 0.00 0.00 178.44 176.92 3is7 h GLU 135 N 0.64 0.42 -0.48 1.13 5.08 -0.84 -2.09 114.58 118.44 3is7 h GLU 135 Ca 0.18 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3is7 h GLU 135 Cb -0.06 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3is7 h GLU 135 CO -0.05 0.80 0.31 1.15 -1.00 0.00 0.00 179.01 180.22 3is7 h THR 136 N 0.33 1.13 -0.39 1.13 2.02 -0.79 -1.34 112.91 115.01 3is7 h THR 136 Ca 0.02 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3is7 h THR 136 Cb 0.95 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3is7 h THR 136 CO 0.08 0.13 -0.03 1.56 0.37 0.00 0.00 175.52 177.64 3is7 h GLN 137 N 0.64 0.71 -0.72 6.66 1.08 -0.38 0.33 115.11 123.44 3is7 h GLN 137 Ca 0.17 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 3is7 h GLN 137 Cb -0.05 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 3is7 h GLN 137 CO -0.04 0.82 0.24 -0.07 -0.95 0.00 0.00 178.83 178.84 3is7 h LEU 138 N 0.53 1.02 -1.36 1.46 -0.00 -1.39 0.13 115.31 115.70 3is7 h LEU 138 Ca 0.11 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 3is7 h LEU 138 Cb 0.51 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 3is7 h LEU 138 CO 0.03 0.93 0.42 1.23 -0.00 0.00 0.00 178.44 181.05 3is7 h GLY 139 N 1.10 0.90 1.40 0.83 0.00 -0.86 -2.61 103.07 103.84 3is7 h GLY 139 Ca 0.24 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 3is7 h GLY 139 CO -0.01 0.33 -0.70 1.41 0.00 0.00 0.00 176.54 177.58 3is7 h LEU 140 N 0.87 0.70 -0.82 3.11 3.38 0.61 -1.92 115.31 121.24 3is7 h LEU 140 Ca 0.23 -0.44 0.13 0.00 0.09 0.00 0.00 57.88 57.90 3is7 h LEU 140 Cb -0.09 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.36 3is7 h LEU 140 CO -0.05 1.19 0.41 0.40 0.09 0.00 0.00 178.44 180.49 3is7 h ILE 141 N 0.43 0.76 -0.36 1.22 2.04 -0.44 -1.03 117.51 120.13 3is7 h ILE 141 Ca -0.03 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 3is7 h ILE 141 Cb 1.28 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3is7 h ILE 141 CO 0.13 0.11 -0.34 1.56 0.00 0.00 0.00 178.15 179.62 3is7 h GLN 142 N 0.62 0.87 -0.05 2.37 1.08 -1.27 -0.60 115.11 118.13 3is7 h GLN 142 Ca 0.43 -0.45 -0.24 0.00 -1.45 0.00 0.00 58.65 56.94 3is7 h GLN 142 Cb 0.58 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 3is7 h GLN 142 CO -0.34 1.10 -0.93 0.87 -0.95 0.00 0.00 178.83 178.58 3is7 h LYS 143 N 0.67 0.67 0.00 1.46 1.57 -0.78 -3.35 116.57 116.81 3is7 h LYS 143 Ca 0.06 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3is7 h LYS 143 Cb 0.92 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3is7 h LYS 143 CO 0.09 1.25 -1.06 1.33 -0.57 0.00 0.00 179.45 180.49 3is7 n VAL 144 N -3.86 0.00 0.00 0.50 0.24 -0.44 -5.09 118.33 109.67 3is7 n VAL 144 Ca -0.09 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3is7 n VAL 144 Cb 0.82 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.27 0.32 7.63 0.00 -0.23 -4.39 105.19 110.22 3is7 n GLY 145 Ca 0.01 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 0.93 -0.62 0.99 5.85 -1.90 -0.66 115.31 119.90 3is7 h LEU 146 Ca 0.00 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 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 0.66 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.37 3is7 h GLU 147 N 1.09 1.02 -0.36 1.25 5.08 -1.93 -1.04 114.58 119.70 3is7 h GLU 147 Ca 0.32 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3is7 h GLU 147 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3is7 h GLU 147 CO -0.09 1.04 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.78 3is7 h ASN 148 N 0.92 0.86 -0.80 1.42 2.35 -1.61 -1.47 115.58 117.25 3is7 h ASN 148 Ca 0.15 -0.44 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3is7 h ASN 148 Cb 0.62 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 3is7 h ASN 148 CO 0.04 1.12 0.52 0.22 -1.65 0.00 0.00 177.43 177.68 3is7 h TYR 149 N 0.60 0.99 -0.21 1.19 3.20 -0.63 -0.71 116.97 121.40 3is7 h TYR 149 Ca 0.07 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 3is7 h TYR 149 Cb 0.85 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3is7 h TYR 149 CO 0.06 0.61 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.77 3is7 h LEU 150 N 1.05 0.66 -0.76 2.82 3.38 -1.13 -2.95 115.31 118.38 3is7 h LEU 150 Ca 0.30 -0.53 0.17 0.00 0.09 0.00 0.00 57.88 57.91 3is7 h LEU 150 Cb -0.09 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.36 3is7 h LEU 150 CO -0.08 1.07 0.21 -0.61 0.09 0.00 0.00 178.44 179.12 3is7 h GLN 151 N 0.28 0.28 0.00 1.13 4.15 -0.97 0.38 115.11 120.37 3is7 h GLN 151 Ca 0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3is7 h GLN 151 Cb 0.94 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3is7 h GLN 151 CO 0.08 0.18 0.00 0.43 -1.93 0.00 0.00 178.83 177.59 3is7 n SER 152 N -5.14 0.00 -0.40 -0.69 7.64 -0.30 -2.29 113.62 112.44 3is7 n SER 152 Ca 0.15 -0.04 0.05 0.00 1.01 0.00 0.00 58.87 60.04 3is7 n SER 152 Cb 0.49 -0.27 0.12 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.27 0.33 -0.03 1.43 8.25 0.10 -4.66 115.22 119.37 3is7 n HIS 153 Ca 0.10 -0.61 -0.14 0.00 -0.26 0.00 0.00 57.72 56.81 3is7 n HIS 153 Cb 0.16 -0.09 -0.10 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 1.10 0.10 -5.64 -0.41 2.07 -1.18 -1.91 114.93 109.06 3is7 h MET 154 Ca 0.00 -0.07 -0.66 0.00 -2.07 0.00 0.00 59.70 56.91 3is7 h MET 154 Cb 0.79 0.01 -0.12 0.00 -1.87 0.00 0.00 31.60 30.41 3is7 h MET 154 CO 0.03 0.68 -0.55 -1.01 1.07 0.00 0.00 176.91 177.13 3is7 s HIS 155 N -3.81 3.36 -2.00 -0.22 3.76 -1.26 -2.36 115.29 112.75 3is7 s HIS 155 Ca -0.16 0.29 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 3is7 s HIS 155 Cb 0.02 -1.93 0.25 0.00 1.11 0.00 0.00 32.58 32.02 3is7 s HIS 155 CO 0.70 0.48 0.73 0.39 -0.85 0.00 0.00 174.74 176.19