#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrm s LEU 2 N 0.00 3.38 0.83 0.99 1.02 -1.26 -5.12 118.68 118.53 1hrm s LEU 2 Ca 0.00 -0.22 -0.12 0.00 0.02 0.00 0.00 54.13 53.81 1hrm s LEU 2 Cb 0.00 -2.13 0.10 0.00 0.02 0.00 0.00 46.19 44.19 1hrm s LEU 2 CO 0.00 0.17 1.19 -0.94 0.02 0.00 0.00 176.35 176.79 1hrm s SER 3 N -2.31 4.23 0.20 2.29 1.04 -1.26 -4.85 113.70 113.05 1hrm s SER 3 Ca 0.25 0.62 -0.10 0.00 0.48 0.00 0.00 55.95 57.20 1hrm s SER 3 Cb -0.12 -1.03 0.14 0.00 0.10 0.00 0.00 66.02 65.12 1hrm s SER 3 CO 0.18 -2.06 1.81 0.44 0.98 0.00 0.00 173.24 174.59 1hrm h ASP 4 N -1.13 0.95 -0.44 7.02 3.32 -2.00 -0.46 116.42 123.68 1hrm h ASP 4 Ca -0.45 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 56.54 1hrm h ASP 4 Cb 1.31 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1hrm h ASP 4 CO 0.59 0.80 0.16 1.23 -1.72 0.00 0.00 179.24 180.29 1hrm h GLY 5 N 1.04 0.58 1.36 2.75 0.00 -2.00 -0.55 103.07 106.24 1hrm h GLY 5 Ca 0.26 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 1hrm h GLY 5 CO -0.04 0.02 -0.09 0.83 0.00 0.00 0.00 176.54 177.26 1hrm h GLU 6 N 0.33 0.77 -0.85 4.80 5.08 -1.75 -2.46 114.58 120.49 1hrm h GLU 6 Ca 0.21 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1hrm h GLU 6 Cb 0.20 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1hrm h GLU 6 CO -0.21 0.84 0.40 -1.49 -1.00 0.00 0.00 179.01 177.55 1hrm h TRP 7 N 0.70 1.24 -0.45 4.33 4.06 -0.56 -1.91 115.95 123.35 1hrm h TRP 7 Ca 0.12 -0.06 0.04 0.00 2.06 0.00 0.00 58.89 61.05 1hrm h TRP 7 Cb 0.56 -0.38 -0.04 0.00 -1.00 0.00 0.00 29.16 28.30 1hrm h TRP 7 CO 0.03 0.90 0.21 0.37 -3.56 0.00 0.00 178.44 176.38 1hrm h GLN 8 N 1.22 0.40 -0.67 0.49 4.15 -0.82 -1.28 115.11 118.60 1hrm h GLN 8 Ca 0.29 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1hrm h GLN 8 Cb 0.13 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1hrm h GLN 8 CO -0.04 0.26 0.37 1.96 -1.93 0.00 0.00 178.83 179.46 1hrm h GLN 9 N 0.41 0.93 -0.25 1.69 1.08 -1.07 0.30 115.11 118.20 1hrm h GLN 9 Ca 0.20 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1hrm h GLN 9 Cb 0.14 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1hrm h GLN 9 CO -0.17 0.69 0.10 0.28 -0.95 0.00 0.00 178.83 178.78 1hrm h VAL 10 N 0.91 0.95 0.00 -0.54 2.07 -0.75 -1.85 116.25 117.05 1hrm h VAL 10 Ca 0.24 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.56 1hrm h VAL 10 Cb 0.03 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1hrm h VAL 10 CO -0.04 0.04 -0.58 -0.07 0.02 0.00 0.00 177.57 176.94 1hrm h LEU 11 N 0.22 0.00 -0.13 2.57 3.38 -1.05 -1.14 115.31 119.15 1hrm h LEU 11 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1hrm h LEU 11 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1hrm h LEU 11 CO -0.10 0.58 0.04 -1.13 0.09 0.00 0.00 178.44 177.93 1hrm h ASN 12 N 0.00 0.18 -0.54 -0.43 -0.73 -0.77 -2.94 115.58 110.35 1hrm h ASN 12 Ca -0.01 -0.19 -0.04 0.00 1.87 0.00 0.00 56.30 57.94 1hrm h ASN 12 Cb 1.10 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.62 1hrm h ASN 12 CO 0.08 0.32 0.21 0.58 -0.37 0.00 0.00 177.43 178.24 1hrm h VAL 13 N 0.03 1.22 0.00 2.57 2.07 -1.22 -2.06 116.25 118.86 1hrm h VAL 13 Ca 0.04 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1hrm h VAL 13 Cb 0.20 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1hrm h VAL 13 CO -0.00 0.27 -0.14 -0.25 0.02 0.00 0.00 177.57 177.47 1hrm h TRP 14 N 0.84 0.00 -0.63 1.57 2.91 -1.04 -1.72 115.95 117.88 1hrm h TRP 14 Ca 0.20 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.32 1hrm h TRP 14 Cb 0.20 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 1hrm h TRP 14 CO 0.01 0.14 0.42 0.78 -1.03 0.00 0.00 178.44 178.77 1hrm h GLY 15 N 0.74 0.63 1.06 2.65 0.00 -1.24 -0.94 103.07 105.97 1hrm h GLY 15 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1hrm h GLY 15 CO 0.02 0.11 0.10 0.50 0.00 0.00 0.00 176.54 177.26 1hrm h LYS 16 N 0.44 1.07 -0.15 4.80 1.57 -1.43 -2.77 116.57 120.10 1hrm h LYS 16 Ca 0.29 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1hrm h LYS 16 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1hrm h LYS 16 CO -0.09 0.99 -0.18 0.28 -0.57 0.00 0.00 179.45 179.89 1hrm h VAL 17 N 0.99 1.35 -0.47 0.50 2.07 -1.26 -3.15 116.25 116.29 1hrm h VAL 17 Ca 0.20 -1.37 0.14 0.00 0.82 0.00 0.00 66.70 66.49 1hrm h VAL 17 Cb 0.45 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1hrm h VAL 17 CO 0.01 0.40 0.34 -0.33 0.02 0.00 0.00 177.57 178.01 1hrm h GLU 18 N 0.01 0.00 0.00 1.57 5.08 -1.25 -0.76 114.58 119.23 1hrm h GLU 18 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1hrm h GLU 18 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1hrm h GLU 18 CO 0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.86 1hrm h ALA 19 N 1.76 1.24 -0.99 3.43 0.00 -1.44 -3.35 119.26 119.91 1hrm h ALA 19 Ca 0.22 -0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 1hrm h ALA 19 Cb 0.90 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.42 1hrm h ALA 19 CO -0.00 0.24 -0.69 -3.47 0.00 0.00 0.00 179.25 175.32 1hrm n ASP 20 N -3.67 -2.03 -0.22 0.00 2.03 -0.34 -5.00 116.55 107.32 1hrm n ASP 20 Ca -0.01 -2.96 -0.01 0.00 0.52 0.00 0.00 54.79 52.33 1hrm n ASP 20 Cb 0.31 0.95 0.21 0.00 -0.72 0.00 0.00 41.12 41.87 1hrm n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1hrm h ILE 21 N 3.45 1.21 -0.08 5.18 6.09 -1.58 -2.18 117.51 129.60 1hrm h ILE 21 Ca 0.00 -0.48 -0.18 0.00 -1.37 0.00 0.00 64.86 62.83 1hrm h ILE 21 Cb 1.00 0.18 0.01 0.00 0.47 0.00 0.00 36.82 38.48 1hrm h ILE 21 CO 0.29 0.22 -0.66 0.00 -3.07 0.00 0.00 178.15 174.93 1hrm h ALA 22 N 1.46 0.19 -0.01 0.18 0.00 -1.89 -0.33 119.26 118.86 1hrm h ALA 22 Ca 0.26 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1hrm h ALA 22 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1hrm h ALA 22 CO -0.05 0.49 -0.02 0.78 0.00 0.00 0.00 179.25 180.45 1hrm h GLY 23 N 0.21 -0.02 0.94 0.00 0.00 -1.92 0.44 103.07 102.73 1hrm h GLY 23 Ca -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1hrm h GLY 23 CO 0.13 -0.03 0.15 0.45 0.00 0.00 0.00 176.54 177.25 1hrm h HIS 24 N -0.04 0.60 -0.12 5.60 -0.00 -1.38 -1.77 115.15 118.05 1hrm h HIS 24 Ca 0.01 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1hrm h HIS 24 Cb 0.05 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 1hrm h HIS 24 CO -0.10 0.55 -0.05 0.78 -0.00 0.00 0.00 177.93 179.11 1hrm h GLY 25 N 0.49 0.06 0.88 2.45 0.00 -0.75 -1.08 103.07 105.12 1hrm h GLY 25 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1hrm h GLY 25 CO -0.01 -0.06 -0.11 -1.61 0.00 0.00 0.00 176.54 174.75 1hrm h GLN 26 N -0.03 -0.24 -0.96 4.80 4.15 -0.88 -2.27 115.11 119.68 1hrm h GLN 26 Ca 0.06 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1hrm h GLN 26 Cb 0.12 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.80 1hrm h GLN 26 CO -0.14 -0.16 0.62 0.93 -1.93 0.00 0.00 178.83 178.15 1hrm h GLU 27 N -0.25 1.11 0.27 1.69 4.39 -1.06 0.44 114.58 121.17 1hrm h GLU 27 Ca 0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1hrm h GLU 27 Cb 0.23 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1hrm h GLU 27 CO -0.02 0.73 -0.22 0.28 -1.16 0.00 0.00 179.01 178.62 1hrm h VAL 28 N 1.14 0.52 -0.84 3.13 2.07 -1.01 -1.09 116.25 120.18 1hrm h VAL 28 Ca 0.41 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1hrm h VAL 28 Cb 0.13 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1hrm h VAL 28 CO -0.16 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 177.86 1hrm h LEU 29 N -0.51 1.01 -0.71 2.57 3.38 -1.17 -1.57 115.31 118.31 1hrm h LEU 29 Ca -0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1hrm h LEU 29 Cb 0.45 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1hrm h LEU 29 CO -0.02 0.78 0.18 0.40 0.09 0.00 0.00 178.44 179.86 1hrm h ILE 30 N 1.15 1.26 -0.70 1.22 2.04 -0.66 -2.07 117.51 119.75 1hrm h ILE 30 Ca 0.30 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1hrm h ILE 30 Cb -0.04 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1hrm h ILE 30 CO -0.06 0.38 0.25 -0.09 0.00 0.00 0.00 178.15 178.63 1hrm h ARG 31 N 1.08 1.06 0.20 2.37 9.65 -0.82 -1.32 114.38 126.61 1hrm h ARG 31 Ca 0.22 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1hrm h ARG 31 Cb 0.37 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1hrm h ARG 31 CO 0.00 0.88 -0.10 1.25 2.80 0.00 0.00 179.97 184.80 1hrm h LEU 32 N 1.03 -0.23 -1.08 3.80 5.85 -0.95 -2.14 115.31 121.59 1hrm h LEU 32 Ca 0.23 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1hrm h LEU 32 Cb 0.24 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1hrm h LEU 32 CO -0.01 0.03 0.19 -0.26 -0.34 0.00 0.00 178.44 178.05 1hrm h PHE 33 N -0.50 0.86 0.08 1.25 0.04 -1.36 0.72 116.94 118.04 1hrm h PHE 33 Ca -0.03 -0.06 -0.28 0.00 2.80 0.00 0.00 57.97 60.40 1hrm h PHE 33 Cb 0.38 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1hrm h PHE 33 CO 0.00 0.69 -1.39 1.79 -0.60 0.00 0.00 178.31 178.80 1hrm h THR 34 N 0.83 1.29 -0.12 -1.55 1.35 -1.25 -3.10 112.91 110.36 1hrm h THR 34 Ca 0.19 -2.96 -0.17 0.00 -0.55 0.00 0.00 66.41 62.92 1hrm h THR 34 Cb 0.22 2.77 -0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1hrm h THR 34 CO -0.01 0.83 -0.66 1.23 -0.25 0.00 0.00 175.52 176.66 1hrm h GLY 35 N 2.14 0.51 -6.59 5.82 0.00 -1.37 -3.39 103.07 100.18 1hrm h GLY 35 Ca -0.18 -0.67 -0.60 0.00 0.00 0.00 0.00 47.33 45.88 1hrm h GLY 35 CO 0.15 0.60 -0.86 0.30 0.00 0.00 0.00 176.54 176.73 1hrm s HIS 36 N -3.77 1.57 0.59 5.60 3.76 0.24 -5.00 115.29 118.27 1hrm s HIS 36 Ca -0.06 -2.41 0.29 0.00 -0.15 0.00 0.00 55.06 52.73 1hrm s HIS 36 Cb 0.11 -1.34 1.67 0.00 1.11 0.00 0.00 32.58 34.12 1hrm s HIS 36 CO 0.84 -0.77 2.10 -1.35 -0.85 0.00 0.00 174.74 174.71 1hrm h PRO 37 N 5.93 0.00 0.00 8.40 0.11 -1.75 -1.14 132.00 143.55 1hrm h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1hrm h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1hrm h PRO 37 CO 0.43 0.00 -0.05 1.05 -0.21 0.00 0.00 178.00 179.22 1hrm h GLU 38 N 0.00 0.00 -0.62 1.05 9.09 -1.93 -2.44 114.58 119.73 1hrm h GLU 38 Ca 0.08 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.42 1hrm h GLU 38 Cb 0.48 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.56 1hrm h GLU 38 CO -0.00 0.05 0.10 1.79 0.05 0.00 0.00 179.01 180.99 1hrm h THR 39 N 0.00 1.26 -0.57 -1.06 1.35 -1.54 -2.81 112.91 109.54 1hrm h THR 39 Ca -0.00 -1.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.00 1hrm h THR 39 Cb 0.09 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.16 1hrm h THR 39 CO 0.01 0.37 0.40 0.25 -0.25 0.00 0.00 175.52 176.30 1hrm h LEU 40 N 0.95 0.13 0.00 3.87 5.85 -1.58 -1.75 115.31 122.79 1hrm h LEU 40 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1hrm h LEU 40 Cb 0.42 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1hrm h LEU 40 CO 0.01 0.07 0.00 -0.62 -0.34 0.00 0.00 178.44 177.56 1hrm n GLU 41 N -4.42 0.05 0.00 1.25 -0.58 -1.06 -2.00 120.64 113.88 1hrm n GLU 41 Ca 0.10 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 57.23 1hrm n GLU 41 Cb 0.54 -1.50 0.48 0.00 -0.57 0.00 0.00 31.44 30.39 1hrm n GLU 41 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1hrm n LYS 42 N -1.45 0.09 -3.73 3.49 4.76 -0.66 -4.64 118.16 116.02 1hrm n LYS 42 Ca 0.04 -0.03 -0.37 0.00 -2.87 0.00 0.00 58.31 55.08 1hrm n LYS 42 Cb 0.14 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.72 1hrm n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1hrm s PHE 43 N -2.93 3.52 0.42 2.13 0.40 -0.85 -4.95 117.98 115.73 1hrm s PHE 43 Ca 0.15 -2.22 0.15 0.00 -0.60 0.00 0.00 56.93 54.40 1hrm s PHE 43 Cb 0.19 -3.18 1.03 0.00 0.51 0.00 0.00 43.02 41.56 1hrm s PHE 43 CO 0.59 -0.96 1.92 -0.44 0.70 0.00 0.00 175.22 177.03 1hrm h ASP 44 N 8.14 0.41 0.09 1.36 3.32 -1.83 -1.70 116.42 126.21 1hrm h ASP 44 Ca -0.16 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1hrm h ASP 44 Cb 1.06 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1hrm h ASP 44 CO 0.72 0.22 -0.07 0.50 -1.72 0.00 0.00 179.24 178.89 1hrm h LYS 45 N 0.44 0.00 0.00 3.56 3.64 -1.93 -3.24 116.57 119.04 1hrm h LYS 45 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1hrm h LYS 45 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1hrm h LYS 45 CO -0.12 0.07 0.00 1.19 -2.27 0.00 0.00 179.45 178.32 1hrm n PHE 46 N -4.26 0.00 0.30 1.91 3.72 -0.84 -4.73 117.46 113.57 1hrm n PHE 46 Ca -0.03 -0.08 0.19 0.00 -0.05 0.00 0.00 57.45 57.48 1hrm n PHE 46 Cb 0.15 -0.01 0.87 0.00 -0.94 0.00 0.00 39.48 39.56 1hrm n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1hrm h LYS 47 N 0.00 0.00 -0.54 -1.08 2.10 -1.36 -2.04 116.57 113.65 1hrm h LYS 47 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1hrm h LYS 47 Cb 0.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 1hrm h LYS 47 CO 0.00 0.00 0.15 1.12 -2.00 0.00 0.00 179.45 178.72 1hrm h HIS 48 N 0.00 0.89 -1.73 0.07 2.07 -1.85 -3.43 115.15 111.17 1hrm h HIS 48 Ca 0.00 -0.10 -0.68 0.00 -2.85 0.00 0.00 60.37 56.74 1hrm h HIS 48 Cb 0.26 -0.25 0.04 0.00 2.57 0.00 0.00 27.41 30.03 1hrm h HIS 48 CO 0.00 0.76 0.70 1.28 -3.07 0.00 0.00 177.93 177.60 1hrm n LEU 49 N -4.44 2.20 -0.06 6.12 4.77 -0.77 -4.87 117.00 119.96 1hrm n LEU 49 Ca 0.02 1.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.97 1hrm n LEU 49 Cb 0.22 -1.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.05 1hrm n LEU 49 CO 0.40 -0.67 -0.88 0.29 -1.33 0.00 0.00 177.39 175.19 1hrm n LYS 50 N 3.92 0.24 -3.60 3.23 4.76 -1.26 -5.04 118.16 120.41 1hrm n LYS 50 Ca 0.21 0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.47 1hrm n LYS 50 Cb 0.19 -0.90 -0.04 0.00 -1.84 0.00 0.00 35.03 32.44 1hrm n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1hrm s THR 51 N -2.20 5.15 0.41 -0.18 -4.23 -1.26 -5.00 115.64 108.32 1hrm s THR 51 Ca -0.16 -0.15 0.18 0.00 -1.18 0.00 0.00 61.69 60.39 1hrm s THR 51 Cb 0.06 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.39 1hrm s THR 51 CO 0.20 -0.15 1.97 -0.08 -0.54 0.00 0.00 174.62 176.01 1hrm h GLU 52 N 2.14 0.00 -0.34 3.99 4.81 -2.00 -2.33 114.58 120.85 1hrm h GLU 52 Ca -0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1hrm h GLU 52 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1hrm h GLU 52 CO 0.69 0.21 0.12 0.00 -0.73 0.00 0.00 179.01 179.30 1hrm h ALA 53 N 1.79 0.44 -0.82 2.92 0.00 -1.99 -0.42 119.26 121.18 1hrm h ALA 53 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1hrm h ALA 53 Cb 0.42 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1hrm h ALA 53 CO 0.03 0.06 0.53 0.93 0.00 0.00 0.00 179.25 180.80 1hrm h GLU 54 N 0.39 1.03 -0.16 0.00 5.08 -1.85 -1.39 114.58 117.68 1hrm h GLU 54 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1hrm h GLU 54 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1hrm h GLU 54 CO -0.01 0.68 0.10 0.52 -1.00 0.00 0.00 179.01 179.30 1hrm h MET 55 N 1.06 0.21 -0.35 2.33 2.86 -1.00 -1.89 114.93 118.14 1hrm h MET 55 Ca 0.32 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 1hrm h MET 55 Cb -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1hrm h MET 55 CO -0.10 0.14 0.13 -0.22 1.06 0.00 0.00 176.91 177.93 1hrm h LYS 56 N 0.21 0.50 0.00 1.72 1.63 -0.77 -2.41 116.57 117.45 1hrm h LYS 56 Ca 0.06 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1hrm h LYS 56 Cb -0.02 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1hrm h LYS 56 CO -0.01 0.42 -0.34 0.00 -3.45 0.00 0.00 179.45 176.08 1hrm h ALA 57 N 1.65 0.78 -2.14 5.00 0.00 -1.01 -3.46 119.26 120.09 1hrm h ALA 57 Ca 0.12 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.47 1hrm h ALA 57 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1hrm h ALA 57 CO -0.01 0.00 0.99 0.45 0.00 0.00 0.00 179.25 180.68 1hrm s SER 58 N -4.48 6.75 0.18 0.00 0.15 -0.73 -4.90 113.70 110.67 1hrm s SER 58 Ca 0.08 1.76 0.09 0.00 0.70 0.00 0.00 55.95 58.58 1hrm s SER 58 Cb 0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1hrm s SER 58 CO 0.67 -0.92 1.38 -0.33 1.20 0.00 0.00 173.24 175.23 1hrm h GLU 59 N 9.07 0.00 -0.13 5.44 4.39 -1.88 -3.11 114.58 128.35 1hrm h GLU 59 Ca -0.31 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.28 1hrm h GLU 59 Cb 1.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1hrm h GLU 59 CO 0.98 0.84 -0.40 0.22 -1.16 0.00 0.00 179.01 179.49 1hrm h ASP 60 N 0.00 0.31 0.11 1.42 3.58 -1.96 -1.51 116.42 118.37 1hrm h ASP 60 Ca -0.01 -0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 1hrm h ASP 60 Cb 1.57 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.52 1hrm h ASP 60 CO 0.11 0.68 -0.50 0.25 -2.88 0.00 0.00 179.24 176.90 1hrm h LEU 61 N 0.25 0.48 -0.81 2.28 6.46 -1.87 -1.79 115.31 120.31 1hrm h LEU 61 Ca 0.02 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.46 1hrm h LEU 61 Cb 0.81 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1hrm h LEU 61 CO 0.06 0.90 -0.01 0.50 -0.62 0.00 0.00 178.44 179.27 1hrm h LYS 62 N 0.35 0.89 -0.08 1.25 3.64 -1.36 -0.63 116.57 120.62 1hrm h LYS 62 Ca 0.02 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1hrm h LYS 62 Cb 1.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1hrm h LYS 62 CO 0.09 0.89 0.05 -0.22 -2.27 0.00 0.00 179.45 177.99 1hrm h LYS 63 N 0.82 0.10 -0.47 1.90 3.64 -1.08 -1.56 116.57 119.92 1hrm h LYS 63 Ca 0.15 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1hrm h LYS 63 Cb 0.50 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1hrm h LYS 63 CO 0.03 0.11 0.08 1.25 -2.27 0.00 0.00 179.45 178.64 1hrm h HIS 64 N 0.07 0.74 -0.64 1.91 2.76 -1.07 -1.94 115.15 116.98 1hrm h HIS 64 Ca 0.03 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 1hrm h HIS 64 Cb 0.03 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 1hrm h HIS 64 CO -0.06 0.65 0.21 0.78 -1.30 0.00 0.00 177.93 178.21 1hrm h GLY 65 N 0.92 1.04 0.88 5.26 0.00 -0.76 -0.89 103.07 109.52 1hrm h GLY 65 Ca 0.15 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1hrm h GLY 65 CO 0.00 0.55 0.06 -0.84 0.00 0.00 0.00 176.54 176.32 1hrm h THR 66 N 0.94 1.21 -0.17 4.70 2.02 -0.62 -2.25 112.91 118.74 1hrm h THR 66 Ca 0.21 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1hrm h THR 66 Cb 0.26 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1hrm h THR 66 CO -0.01 0.23 0.09 0.58 0.37 0.00 0.00 175.52 176.78 1hrm h VAL 67 N 0.26 1.01 0.21 3.16 2.07 -1.11 -0.56 116.25 121.30 1hrm h VAL 67 Ca 0.08 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1hrm h VAL 67 Cb 0.29 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1hrm h VAL 67 CO 0.00 0.04 -0.10 0.58 0.02 0.00 0.00 177.57 178.10 1hrm h VAL 68 N 0.20 0.84 -0.03 2.57 2.07 -1.11 -2.29 116.25 118.49 1hrm h VAL 68 Ca 0.07 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1hrm h VAL 68 Cb 0.00 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1hrm h VAL 68 CO -0.04 0.06 -0.31 -0.07 0.02 0.00 0.00 177.57 177.24 1hrm h LEU 69 N -0.42 0.05 -0.73 2.57 3.38 -1.41 -0.54 115.31 118.21 1hrm h LEU 69 Ca -0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1hrm h LEU 69 Cb 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1hrm h LEU 69 CO 0.05 0.36 -0.02 0.74 0.09 0.00 0.00 178.44 179.66 1hrm h THR 70 N 0.05 1.26 -0.31 0.22 2.02 -1.03 -0.52 112.91 114.60 1hrm h THR 70 Ca 0.01 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 1hrm h THR 70 Cb 0.57 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1hrm h THR 70 CO 0.04 0.40 -0.01 0.00 0.37 0.00 0.00 175.52 176.33 1hrm h ALA 71 N 1.10 0.42 -0.69 6.16 0.00 -0.92 -2.60 119.26 122.73 1hrm h ALA 71 Ca 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1hrm h ALA 71 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1hrm h ALA 71 CO 0.03 0.18 0.32 1.25 0.00 0.00 0.00 179.25 181.03 1hrm h LEU 72 N 0.35 0.91 -0.88 0.00 5.85 -0.94 -2.10 115.31 118.51 1hrm h LEU 72 Ca 0.09 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1hrm h LEU 72 Cb 0.45 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1hrm h LEU 72 CO 0.02 0.80 0.55 1.23 -0.34 0.00 0.00 178.44 180.69 1hrm h GLY 73 N 0.96 1.33 0.86 3.75 0.00 -0.97 -0.05 103.07 108.95 1hrm h GLY 73 Ca 0.23 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1hrm h GLY 73 CO -0.03 0.27 0.03 -1.33 0.00 0.00 0.00 176.54 175.48 1hrm h GLY 74 N 0.99 0.16 0.91 4.60 0.00 -1.07 -1.49 103.07 107.17 1hrm h GLY 74 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1hrm h GLY 74 CO -0.18 0.01 0.10 -2.22 0.00 0.00 0.00 176.54 174.25 1hrm h ILE 75 N 0.09 1.16 -0.51 2.60 2.04 -0.89 -2.87 117.51 119.13 1hrm h ILE 75 Ca 0.06 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1hrm h ILE 75 Cb 0.05 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1hrm h ILE 75 CO -0.08 0.16 0.22 -0.07 0.00 0.00 0.00 178.15 178.39 1hrm h LEU 76 N 0.24 0.66 -0.92 1.44 3.38 -0.74 -2.30 115.31 117.06 1hrm h LEU 76 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hrm h LEU 76 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1hrm h LEU 76 CO -0.01 0.58 0.00 0.29 0.09 0.00 0.00 178.44 179.39 1hrm n LYS 77 N -4.36 0.16 0.00 1.13 5.02 -0.59 -1.63 118.16 117.89 1hrm n LYS 77 Ca 0.04 0.50 0.14 0.00 -2.02 0.00 0.00 58.31 56.97 1hrm n LYS 77 Cb 0.14 -1.87 0.60 0.00 -0.02 0.00 0.00 35.03 33.88 1hrm n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hrm n LYS 78 N -2.18 0.19 -3.91 1.97 4.76 -0.87 -4.94 118.16 113.19 1hrm n LYS 78 Ca 0.01 -0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.16 1hrm n LYS 78 Cb 0.14 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1hrm n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1hrm n LYS 79 N -1.37 -3.84 0.00 1.97 5.02 -0.65 -2.00 118.16 117.29 1hrm n LYS 79 Ca 0.10 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1hrm n LYS 79 Cb 0.31 -4.80 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1hrm n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hrm n GLY 80 N -1.82 3.13 2.63 0.72 0.00 -1.26 -4.96 105.19 103.63 1hrm n GLY 80 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1hrm n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hrm n HIS 81 N -1.16 2.94 -1.35 1.61 8.25 -0.85 -4.61 115.22 120.05 1hrm n HIS 81 Ca 0.00 -2.92 0.08 0.00 -0.26 0.00 0.00 57.72 54.62 1hrm n HIS 81 Cb 0.00 -2.24 0.16 0.00 1.12 0.00 0.00 29.99 29.04 1hrm n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1hrm n HIS 82 N 4.09 0.00 -0.19 4.41 1.44 -1.26 -4.81 115.22 118.91 1hrm n HIS 82 Ca 0.56 -1.18 -0.01 0.00 -2.01 0.00 0.00 57.72 55.08 1hrm n HIS 82 Cb 0.32 -0.19 0.23 0.00 0.12 0.00 0.00 29.99 30.47 1hrm n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1hrm h GLU 83 N 0.46 0.93 -0.29 -1.40 4.11 -2.00 -1.66 114.58 114.74 1hrm h GLU 83 Ca -0.00 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 1hrm h GLU 83 Cb 1.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1hrm h GLU 83 CO 0.00 0.68 -0.27 0.00 0.07 0.00 0.00 179.01 179.50 1hrm h ALA 84 N 1.47 1.01 -0.45 1.06 0.00 -2.00 -3.08 119.26 117.27 1hrm h ALA 84 Ca 0.24 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1hrm h ALA 84 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1hrm h ALA 84 CO -0.04 0.59 -0.27 0.93 0.00 0.00 0.00 179.25 180.46 1hrm h GLU 85 N 0.50 0.97 0.00 0.00 3.07 -1.77 -3.28 114.58 114.06 1hrm h GLU 85 Ca 0.07 -0.45 -0.13 0.00 -0.50 0.00 0.00 59.36 58.35 1hrm h GLU 85 Cb 0.72 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 1hrm h GLU 85 CO 0.06 1.12 -0.61 -0.07 -1.40 0.00 0.00 179.01 178.10 1hrm h LEU 86 N 0.81 0.00 -0.31 1.33 3.38 -1.32 -3.38 115.31 115.83 1hrm h LEU 86 Ca 0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1hrm h LEU 86 Cb 0.85 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1hrm h LEU 86 CO 0.08 0.61 -0.25 0.11 0.09 0.00 0.00 178.44 179.08 1hrm h LYS 87 N 0.00 -0.22 -0.80 1.13 1.57 -1.60 -1.70 116.57 114.95 1hrm h LYS 87 Ca -0.01 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1hrm h LYS 87 Cb 1.16 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1hrm h LYS 87 CO 0.08 -0.15 0.53 -1.00 -0.57 0.00 0.00 179.45 178.34 1hrm h PRO 88 N -0.23 0.96 0.07 3.15 0.14 -1.79 -1.29 132.00 133.02 1hrm h PRO 88 Ca 0.16 -0.06 -0.00 0.00 0.14 0.00 0.00 66.00 66.24 1hrm h PRO 88 Cb 0.47 -0.22 0.00 0.00 0.14 0.00 0.00 31.00 31.40 1hrm h PRO 88 CO -0.44 0.64 -0.04 -0.07 0.14 0.00 0.00 178.00 178.23 1hrm h LEU 89 N 0.99 -0.08 -0.08 1.56 4.07 -1.63 -1.52 115.31 118.62 1hrm h LEU 89 Ca 0.32 -0.42 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1hrm h LEU 89 Cb 0.04 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1hrm h LEU 89 CO -0.09 0.40 -0.17 0.00 -1.08 0.00 0.00 178.44 177.49 1hrm h ALA 90 N 0.27 -0.14 -0.66 1.53 0.00 -1.18 0.12 119.26 119.20 1hrm h ALA 90 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1hrm h ALA 90 Cb 0.50 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1hrm h ALA 90 CO 0.02 -0.64 0.42 1.96 0.00 0.00 0.00 179.25 181.00 1hrm h GLN 91 N -0.24 0.81 -0.16 0.00 4.20 -1.28 -0.51 115.11 117.94 1hrm h GLN 91 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1hrm h GLN 91 Cb 0.36 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1hrm h GLN 91 CO -0.22 0.53 0.09 1.03 -0.67 0.00 0.00 178.83 179.60 1hrm h SER 92 N 0.83 0.16 1.32 1.46 0.87 -0.84 -2.54 113.55 114.81 1hrm h SER 92 Ca 0.26 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1hrm h SER 92 Cb -0.02 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1hrm h SER 92 CO -0.09 0.12 -0.17 1.88 -0.53 0.00 0.00 176.83 178.04 1hrm h TYR 93 N 0.20 0.00 0.00 2.24 0.05 -0.54 -1.92 116.97 116.99 1hrm h TYR 93 Ca 0.06 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.70 1hrm h TYR 93 Cb -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1hrm h TYR 93 CO -0.07 0.17 -1.12 0.00 -1.05 0.00 0.00 178.16 176.09 1hrm h ALA 94 N 1.83 0.65 0.00 3.88 0.00 -0.95 0.11 119.26 124.77 1hrm h ALA 94 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1hrm h ALA 94 Cb 0.88 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1hrm h ALA 94 CO 0.02 0.79 -0.34 0.25 0.00 0.00 0.00 179.25 179.98 1hrm n THR 95 N -2.99 0.94 0.17 0.00 -2.24 -0.97 -4.67 114.28 104.53 1hrm n THR 95 Ca -0.06 0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1hrm n THR 95 Cb 0.80 -1.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.25 1hrm n THR 95 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1hrm h LYS 96 N -0.34 -0.44 0.00 -0.78 3.64 -1.57 -3.38 116.57 113.70 1hrm h LYS 96 Ca 0.00 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1hrm h LYS 96 Cb 0.34 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1hrm h LYS 96 CO 0.00 -0.30 -0.69 0.45 -2.27 0.00 0.00 179.45 176.65 1hrm h HIS 97 N -0.78 0.00 -5.62 1.91 3.86 -1.57 -3.49 115.15 109.45 1hrm h HIS 97 Ca -0.05 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.85 1hrm h HIS 97 Cb 0.35 0.00 0.17 0.00 1.06 0.00 0.00 27.41 28.99 1hrm h HIS 97 CO 0.04 0.67 -0.81 1.63 0.86 0.00 0.00 177.93 180.32 1hrm n LYS 98 N -3.26 -4.93 -2.88 2.45 4.76 -0.07 -4.96 118.16 109.28 1hrm n LYS 98 Ca 0.01 0.84 -0.43 0.00 -2.87 0.00 0.00 58.31 55.86 1hrm n LYS 98 Cb 0.81 -5.78 -0.05 0.00 -1.84 0.00 0.00 35.03 28.17 1hrm n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1hrm s ILE 99 N -3.39 4.49 0.55 -0.18 -1.09 -0.63 -5.05 121.20 115.90 1hrm s ILE 99 Ca 0.17 0.32 -0.21 0.00 -2.23 0.00 0.00 60.65 58.70 1hrm s ILE 99 Cb -0.02 -4.46 -0.05 0.00 -1.58 0.00 0.00 42.46 36.34 1hrm s ILE 99 CO 0.74 -0.97 1.28 -0.81 -1.23 0.00 0.00 174.94 173.95 1hrm n PRO 100 N 7.18 1.53 0.08 2.79 -0.04 -1.26 -4.85 135.00 140.42 1hrm n PRO 100 Ca 0.02 0.57 0.19 0.00 -0.04 0.00 0.00 63.50 64.24 1hrm n PRO 100 Cb 0.48 -2.49 0.73 0.00 -0.04 0.00 0.00 33.50 32.18 1hrm n PRO 100 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1hrm h ILE 101 N 1.25 0.60 -0.98 0.52 1.08 -1.96 -1.04 117.51 116.99 1hrm h ILE 101 Ca -0.50 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.08 1hrm h ILE 101 Cb 1.32 0.75 -0.08 0.00 -3.07 0.00 0.00 36.82 35.74 1hrm h ILE 101 CO 0.56 0.00 0.62 0.50 -0.69 0.00 0.00 178.15 179.14 1hrm h LYS 102 N 0.00 0.95 -0.68 2.37 1.63 -2.00 -1.04 116.57 117.81 1hrm h LYS 102 Ca 0.19 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1hrm h LYS 102 Cb 0.87 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 1hrm h LYS 102 CO -0.00 0.63 0.24 1.88 -3.45 0.00 0.00 179.45 178.74 1hrm h TYR 103 N 0.98 1.04 -0.20 1.91 -1.99 -1.53 0.47 116.97 117.65 1hrm h TYR 103 Ca 0.47 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 61.06 1hrm h TYR 103 Cb 0.46 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1hrm h TYR 103 CO -0.00 0.82 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.75 1hrm h LEU 104 N 0.99 0.31 0.02 3.88 3.38 -1.31 -1.23 115.31 121.36 1hrm h LEU 104 Ca 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1hrm h LEU 104 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1hrm h LEU 104 CO -0.01 0.49 -0.01 -0.08 0.09 0.00 0.00 178.44 178.92 1hrm h GLU 105 N 0.31 -0.03 -0.23 1.13 4.81 -0.69 -2.03 114.58 117.84 1hrm h GLU 105 Ca 0.06 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1hrm h GLU 105 Cb 0.45 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1hrm h GLU 105 CO 0.03 0.16 -0.17 0.74 -0.73 0.00 0.00 179.01 179.04 1hrm h PHE 106 N -0.21 -0.42 0.00 0.92 0.04 -0.48 -1.86 116.94 114.93 1hrm h PHE 106 Ca -0.00 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 1hrm h PHE 106 Cb 0.20 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1hrm h PHE 106 CO -0.01 -0.24 -0.42 0.97 -0.60 0.00 0.00 178.31 178.01 1hrm h ILE 107 N -0.16 1.23 -0.29 -0.55 2.10 -1.20 -1.18 117.51 117.46 1hrm h ILE 107 Ca 0.13 -1.48 -0.00 0.00 1.08 0.00 0.00 64.86 64.59 1hrm h ILE 107 Cb 0.36 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1hrm h ILE 107 CO -0.33 0.41 0.17 0.28 -1.08 0.00 0.00 178.15 177.60 1hrm h SER 108 N 0.00 0.36 -0.38 2.19 0.02 -0.93 -1.52 113.55 113.30 1hrm h SER 108 Ca -0.00 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1hrm h SER 108 Cb 0.78 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1hrm h SER 108 CO 0.05 0.32 -0.00 0.44 -1.14 0.00 0.00 176.83 176.51 1hrm h ASP 109 N 0.37 0.73 -0.48 3.07 3.32 -0.94 -2.64 116.42 119.85 1hrm h ASP 109 Ca 0.10 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1hrm h ASP 109 Cb 0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1hrm h ASP 109 CO -0.02 0.80 0.01 0.00 -1.72 0.00 0.00 179.24 178.31 1hrm h ALA 110 N 1.29 1.02 -0.19 3.45 0.00 -0.90 -1.78 119.26 122.15 1hrm h ALA 110 Ca 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hrm h ALA 110 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1hrm h ALA 110 CO 0.02 0.61 0.12 0.82 0.00 0.00 0.00 179.25 180.81 1hrm h ILE 111 N 0.83 1.08 -0.49 0.00 2.04 -0.96 -1.11 117.51 118.90 1hrm h ILE 111 Ca 0.16 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1hrm h ILE 111 Cb 0.47 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1hrm h ILE 111 CO 0.02 0.08 0.29 0.40 0.00 0.00 0.00 178.15 178.93 1hrm h ILE 112 N 0.23 1.04 -0.27 -0.67 1.08 -1.27 -1.80 117.51 115.85 1hrm h ILE 112 Ca 0.07 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1hrm h ILE 112 Cb 0.02 0.41 -0.05 0.00 -3.07 0.00 0.00 36.82 34.14 1hrm h ILE 112 CO -0.01 0.10 -0.04 -0.74 -0.69 0.00 0.00 178.15 176.77 1hrm h HIS 113 N 0.57 -0.09 -0.75 1.37 2.76 -1.06 -2.63 115.15 115.32 1hrm h HIS 113 Ca 0.20 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1hrm h HIS 113 Cb 0.04 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1hrm h HIS 113 CO -0.07 -0.09 0.29 0.28 -1.30 0.00 0.00 177.93 177.04 1hrm h VAL 114 N 0.03 1.26 -0.45 5.26 2.07 -0.91 -0.12 116.25 123.37 1hrm h VAL 114 Ca 0.13 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1hrm h VAL 114 Cb 0.19 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1hrm h VAL 114 CO -0.25 0.33 0.23 -0.07 0.02 0.00 0.00 177.57 177.83 1hrm h LEU 115 N 1.08 0.58 -0.66 2.57 3.38 -1.19 0.78 115.31 121.85 1hrm h LEU 115 Ca 0.25 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1hrm h LEU 115 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1hrm h LEU 115 CO -0.02 0.52 -0.03 0.45 0.09 0.00 0.00 178.44 179.46 1hrm h HIS 116 N 0.59 1.11 -0.46 1.13 3.86 -1.27 -0.67 115.15 119.44 1hrm h HIS 116 Ca 0.16 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 1hrm h HIS 116 Cb 0.09 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1hrm h HIS 116 CO -0.02 0.99 -0.01 1.03 0.86 0.00 0.00 177.93 180.78 1hrm h SER 117 N 0.92 0.74 0.58 2.45 0.87 -0.56 -2.60 113.55 115.96 1hrm h SER 117 Ca 0.16 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1hrm h SER 117 Cb 0.57 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1hrm h SER 117 CO 0.03 0.82 -1.44 0.29 -0.53 0.00 0.00 176.83 176.00 1hrm n LYS 118 N -4.21 0.63 -2.77 2.24 5.02 0.23 -4.45 118.16 114.85 1hrm n LYS 118 Ca 0.02 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 1hrm n LYS 118 Cb 0.30 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 1hrm n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1hrm n HIS 119 N -2.54 2.36 -1.68 2.13 8.25 -0.26 -5.09 115.22 118.39 1hrm n HIS 119 Ca -0.03 -3.37 -0.48 0.00 -0.26 0.00 0.00 57.72 53.57 1hrm n HIS 119 Cb 0.60 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 1hrm n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1hrm n PRO 120 N -0.17 2.10 -0.13 -0.41 -0.04 -0.98 -0.97 135.00 134.40 1hrm n PRO 120 Ca 0.27 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1hrm n PRO 120 Cb 0.64 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1hrm n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hrm n GLY 121 N 4.18 2.11 0.72 0.55 0.00 -1.26 -4.82 105.19 106.67 1hrm n GLY 121 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.31 1hrm n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hrm n ASP 122 N 0.00 2.80 -3.81 1.61 2.03 -0.14 -4.77 116.55 114.26 1hrm n ASP 122 Ca 0.00 -1.84 -0.30 0.00 0.52 0.00 0.00 54.79 53.17 1hrm n ASP 122 Cb 0.00 -0.18 -0.13 0.00 -0.72 0.00 0.00 41.12 40.08 1hrm n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1hrm s PHE 123 N -1.07 2.56 1.10 -0.67 5.36 -1.20 -5.07 117.98 119.00 1hrm s PHE 123 Ca 0.25 -2.80 -0.12 0.00 -0.96 0.00 0.00 56.93 53.30 1hrm s PHE 123 Cb 0.14 -2.30 0.25 0.00 -0.34 0.00 0.00 43.02 40.77 1hrm s PHE 123 CO 0.19 -0.75 1.05 0.20 -1.46 0.00 0.00 175.22 174.46 1hrm s GLY 124 N -0.05 1.57 0.19 13.12 0.00 -1.26 -4.74 107.32 116.15 1hrm s GLY 124 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.73 1hrm s GLY 124 CO -0.02 0.60 1.83 0.00 0.00 0.00 0.00 173.10 175.51 1hrm h ALA 125 N -2.39 0.86 -0.39 3.20 0.00 -1.99 0.45 119.26 118.99 1hrm h ALA 125 Ca -0.58 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1hrm h ALA 125 Cb 1.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1hrm h ALA 125 CO 0.50 0.33 0.00 0.38 0.00 0.00 0.00 179.25 180.47 1hrm h ASP 126 N 0.91 0.67 -0.59 0.00 3.04 -2.00 -2.02 116.42 116.43 1hrm h ASP 126 Ca 0.24 -0.31 -0.03 0.00 -3.24 0.00 0.00 57.03 53.69 1hrm h ASP 126 Cb -0.02 -0.18 -0.03 0.00 -1.04 0.00 0.00 39.33 38.06 1hrm h ASP 126 CO -0.04 0.81 0.24 0.00 -2.04 0.00 0.00 179.24 178.21 1hrm h ALA 127 N 0.88 0.76 -0.92 4.15 0.00 -1.84 -1.63 119.26 120.66 1hrm h ALA 127 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hrm h ALA 127 Cb 0.47 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1hrm h ALA 127 CO 0.02 0.37 0.56 0.37 0.00 0.00 0.00 179.25 180.57 1hrm h GLN 128 N 0.81 1.24 -0.39 0.00 4.15 -0.83 -0.74 115.11 119.36 1hrm h GLN 128 Ca 0.20 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1hrm h GLN 128 Cb 0.19 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1hrm h GLN 128 CO -0.02 0.86 0.08 0.78 -1.93 0.00 0.00 178.83 178.61 1hrm h GLY 129 N 1.26 0.67 0.98 2.39 0.00 -1.00 -1.08 103.07 106.30 1hrm h GLY 129 Ca 0.33 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1hrm h GLY 129 CO -0.06 0.40 0.05 0.00 0.00 0.00 0.00 176.54 176.93 1hrm h ALA 130 N 0.94 0.64 -0.68 3.60 0.00 -1.02 -1.74 119.26 120.99 1hrm h ALA 130 Ca 0.12 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1hrm h ALA 130 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1hrm h ALA 130 CO 0.00 0.40 0.11 1.98 0.00 0.00 0.00 179.25 181.74 1hrm h MET 131 N 0.68 1.13 -0.28 0.00 -1.53 -1.14 -0.80 114.93 112.98 1hrm h MET 131 Ca 0.14 -0.30 -0.00 0.00 -3.44 0.00 0.00 59.70 56.10 1hrm h MET 131 Cb 0.43 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 1hrm h MET 131 CO 0.01 1.03 0.17 1.15 0.14 0.00 0.00 176.91 179.41 1hrm h THR 132 N 1.05 1.10 -0.73 -0.77 2.02 -1.06 -2.01 112.91 112.51 1hrm h THR 132 Ca 0.21 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1hrm h THR 132 Cb 0.45 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1hrm h THR 132 CO 0.01 0.10 0.37 0.11 0.37 0.00 0.00 175.52 176.48 1hrm h LYS 133 N 0.35 1.04 -0.54 6.66 1.57 -0.94 -0.90 116.57 123.81 1hrm h LYS 133 Ca 0.10 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1hrm h LYS 133 Cb 0.02 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1hrm h LYS 133 CO -0.02 0.80 0.15 0.00 -0.57 0.00 0.00 179.45 179.81 1hrm h ALA 134 N 1.18 1.24 -0.01 3.86 0.00 -0.74 -1.61 119.26 123.18 1hrm h ALA 134 Ca 0.25 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1hrm h ALA 134 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1hrm h ALA 134 CO -0.04 0.53 -0.69 -0.07 0.00 0.00 0.00 179.25 178.99 1hrm h LEU 135 N 0.80 0.08 -0.36 0.00 3.38 -1.05 -2.46 115.31 115.70 1hrm h LEU 135 Ca 0.18 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1hrm h LEU 135 Cb 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1hrm h LEU 135 CO -0.01 0.74 -0.09 -0.33 0.09 0.00 0.00 178.44 178.84 1hrm h GLU 136 N 0.05 0.70 -0.42 1.13 5.08 -0.74 -1.51 114.58 118.88 1hrm h GLU 136 Ca -0.01 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1hrm h GLU 136 Cb 1.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1hrm h GLU 136 CO 0.09 0.86 0.17 1.25 -1.00 0.00 0.00 179.01 180.39 1hrm h LEU 137 N 0.50 0.21 -0.33 1.33 5.85 -1.24 0.11 115.31 121.74 1hrm h LEU 137 Ca 0.09 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1hrm h LEU 137 Cb 0.61 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1hrm h LEU 137 CO 0.04 0.16 0.18 0.15 -0.34 0.00 0.00 178.44 178.63 1hrm h PHE 138 N 0.35 0.34 -0.56 1.25 3.57 -1.26 -1.35 116.94 119.30 1hrm h PHE 138 Ca 0.19 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1hrm h PHE 138 Cb 0.15 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1hrm h PHE 138 CO -0.13 0.20 0.07 -0.09 -2.23 0.00 0.00 178.31 176.12 1hrm h ARG 139 N 0.38 0.94 -0.53 1.11 2.43 -0.86 -2.55 114.38 115.29 1hrm h ARG 139 Ca 0.13 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1hrm h ARG 139 Cb 0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1hrm h ARG 139 CO -0.07 0.91 0.04 -0.97 -1.51 0.00 0.00 179.97 178.37 1hrm h ASN 140 N 0.83 0.83 0.14 -3.80 -1.24 -0.62 0.24 115.58 111.95 1hrm h ASN 140 Ca 0.17 -0.19 -0.13 0.00 0.71 0.00 0.00 56.30 56.85 1hrm h ASN 140 Cb 0.45 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1hrm h ASN 140 CO 0.02 0.87 -0.48 0.44 -1.29 0.00 0.00 177.43 176.99 1hrm h ASP 141 N 0.81 0.43 -0.24 1.15 3.32 -1.18 -0.98 116.42 119.73 1hrm h ASP 141 Ca 0.16 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 1hrm h ASP 141 Cb 0.43 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1hrm h ASP 141 CO 0.02 0.84 -0.37 0.40 -1.72 0.00 0.00 179.24 178.41 1hrm h ILE 142 N 0.32 1.31 -0.80 0.35 2.04 -1.00 -2.96 117.51 116.76 1hrm h ILE 142 Ca 0.02 -1.57 0.07 0.00 1.00 0.00 0.00 64.86 64.38 1hrm h ILE 142 Cb 0.96 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 1hrm h ILE 142 CO 0.08 0.49 0.53 0.00 0.00 0.00 0.00 178.15 179.25 1hrm h ALA 143 N 0.65 1.64 -0.65 1.87 0.00 -0.24 -0.24 119.26 122.30 1hrm h ALA 143 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1hrm h ALA 143 Cb 0.95 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1hrm h ALA 143 CO 0.08 0.23 0.30 0.00 0.00 0.00 0.00 179.25 179.86 1hrm h ALA 144 N 1.57 0.84 -0.14 0.00 0.00 -1.03 -1.89 119.26 118.60 1hrm h ALA 144 Ca 0.35 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1hrm h ALA 144 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hrm h ALA 144 CO -0.13 0.42 -0.59 0.87 0.00 0.00 0.00 179.25 179.82 1hrm h LYS 145 N 0.90 0.47 -0.68 0.00 1.57 -1.26 -2.54 116.57 115.03 1hrm h LYS 145 Ca 0.22 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1hrm h LYS 145 Cb 0.14 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1hrm h LYS 145 CO -0.03 0.92 0.40 1.88 -0.57 0.00 0.00 179.45 182.06 1hrm h TYR 146 N 0.35 0.91 -0.52 -1.35 -1.99 -0.66 -1.18 116.97 112.53 1hrm h TYR 146 Ca -0.00 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1hrm h TYR 146 Cb 1.13 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 39.54 1hrm h TYR 146 CO 0.04 0.62 0.23 -0.22 -0.00 0.00 0.00 178.16 178.84 1hrm h LYS 147 N 0.93 0.76 -0.63 4.88 3.64 -1.07 -1.45 116.57 123.63 1hrm h LYS 147 Ca 0.24 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1hrm h LYS 147 Cb -0.01 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1hrm h LYS 147 CO -0.04 0.65 0.39 1.49 -2.27 0.00 0.00 179.45 179.67 1hrm h GLU 148 N 0.70 0.75 -0.00 1.90 4.81 -1.23 -2.42 114.58 119.09 1hrm h GLU 148 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1hrm h GLU 148 Cb 0.16 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1hrm h GLU 148 CO -0.02 0.49 -0.04 1.28 -0.73 0.00 0.00 179.01 180.00 1hrm n LEU 149 N -4.71 0.35 -0.61 1.64 4.77 -0.47 -4.91 117.00 113.06 1hrm n LEU 149 Ca 0.06 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1hrm n LEU 149 Cb 0.08 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1hrm n LEU 149 CO 0.33 0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 176.99 1hrm n GLY 150 N 1.18 0.70 3.48 -0.72 0.00 -0.66 -4.92 105.19 104.24 1hrm n GLY 150 Ca 0.18 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 1hrm n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hrm s PHE 151 N -2.29 3.30 0.16 1.61 5.36 -0.64 -4.76 117.98 120.73 1hrm s PHE 151 Ca 0.00 -1.87 -0.24 0.00 -0.96 0.00 0.00 56.93 53.86 1hrm s PHE 151 Cb 0.00 -4.37 0.04 0.00 -0.34 0.00 0.00 43.02 38.34 1hrm s PHE 151 CO 0.00 -1.48 1.60 0.37 -1.46 0.00 0.00 175.22 174.25 1hrm h GLN 152 N 7.66 -0.28 0.00 10.12 -0.00 -1.91 -3.42 115.11 127.28 1hrm h GLN 152 Ca 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 1hrm h GLN 152 Cb 0.91 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.45 1hrm h GLN 152 CO 1.25 -0.19 0.00 0.41 0.00 0.00 0.00 178.83 180.30