#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgr s SER 8 N 0.00 0.84 0.00 0.00 0.15 -1.26 -4.79 113.70 108.64 1pgr s SER 8 Ca 0.00 -0.65 0.31 0.00 0.70 0.00 0.00 55.95 56.32 1pgr s SER 8 Cb 0.00 0.06 1.77 0.00 -1.71 0.00 0.00 66.02 66.14 1pgr s SER 8 CO 0.00 -0.28 2.16 -1.54 1.20 0.00 0.00 173.24 174.79 1pgr n SER 9 N 1.14 0.05 -4.29 5.45 3.41 -1.26 -4.76 113.62 113.36 1pgr n SER 9 Ca -0.21 -0.77 -0.32 0.00 -0.26 0.00 0.00 58.87 57.31 1pgr n SER 9 Cb 0.56 -0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.27 1pgr n SER 9 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pgr s LEU 10 N -2.17 2.21 0.35 1.04 1.43 -1.26 -5.06 118.68 115.22 1pgr s LEU 10 Ca 0.42 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 1pgr s LEU 10 Cb 0.21 -1.42 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 1pgr s LEU 10 CO 0.40 0.24 1.46 -2.84 0.23 0.00 0.00 176.35 175.84 1pgr s PRO 11 N -0.10 4.17 0.50 1.29 0.02 -1.26 -4.88 135.00 134.73 1pgr s PRO 11 Ca -0.05 2.49 0.22 0.00 0.02 0.00 0.00 61.00 63.68 1pgr s PRO 11 Cb -0.14 -3.00 1.31 0.00 0.02 0.00 0.00 34.50 32.69 1pgr s PRO 11 CO 0.04 -0.47 2.07 0.37 -0.33 0.00 0.00 177.00 178.68 1pgr h GLN 12 N 3.42 0.00 -0.10 5.54 5.75 -1.98 -2.08 115.11 125.67 1pgr h GLN 12 Ca -0.50 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 57.84 1pgr h GLN 12 Cb 1.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 1pgr h GLN 12 CO 0.67 0.12 -0.65 0.66 -2.65 0.00 0.00 178.83 176.99 1pgr h SER 13 N 0.00 0.43 0.17 -0.69 4.64 -1.99 -2.33 113.55 113.78 1pgr h SER 13 Ca -0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1pgr h SER 13 Cb 0.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1pgr h SER 13 CO 0.02 0.96 -0.08 0.15 -0.87 0.00 0.00 176.83 177.00 1pgr h PHE 14 N 0.27 -0.22 -0.50 4.77 3.57 -1.76 0.21 116.94 123.29 1pgr h PHE 14 Ca -0.01 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1pgr h PHE 14 Cb 1.19 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1pgr h PHE 14 CO 0.04 -0.07 0.34 -0.07 -2.23 0.00 0.00 178.31 176.31 1pgr h LEU 15 N -0.31 0.32 -0.10 0.59 3.38 -1.47 -0.37 115.31 117.35 1pgr h LEU 15 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1pgr h LEU 15 Cb 0.24 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pgr h LEU 15 CO 0.04 0.20 -0.49 -0.07 0.09 0.00 0.00 178.44 178.21 1pgr h LEU 16 N 0.36 0.61 -0.88 1.67 4.07 -0.86 -2.10 115.31 118.19 1pgr h LEU 16 Ca 0.22 -0.64 -0.03 0.00 0.08 0.00 0.00 57.88 57.52 1pgr h LEU 16 Cb 0.41 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1pgr h LEU 16 CO -0.05 1.15 0.44 0.11 -1.08 0.00 0.00 178.44 179.01 1pgr h LYS 17 N 0.11 1.25 -0.29 1.13 1.57 -0.62 -1.15 116.57 118.57 1pgr h LYS 17 Ca -0.03 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1pgr h LYS 17 Cb 1.14 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1pgr h LYS 17 CO 0.10 0.94 0.15 0.00 -0.57 0.00 0.00 179.45 180.07 1pgr h LEU 19 N 0.31 0.30 -0.66 0.00 3.38 -1.06 -0.40 115.31 117.18 1pgr h LEU 19 Ca 0.12 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1pgr h LEU 19 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1pgr h LEU 19 CO -0.08 0.33 -0.66 -0.08 0.09 0.00 0.00 178.44 178.04 1pgr h GLU 20 N 0.33 0.02 -0.01 1.13 4.81 -0.51 -2.46 114.58 117.89 1pgr h GLU 20 Ca 0.08 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 1pgr h GLU 20 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1pgr h GLU 20 CO -0.00 0.68 -0.85 1.96 -0.73 0.00 0.00 179.01 180.06 1pgr h GLN 21 N 0.01 0.26 -0.07 1.92 4.20 0.04 -2.36 115.11 119.12 1pgr h GLN 21 Ca -0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1pgr h GLN 21 Cb 1.18 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1pgr h GLN 21 CO 0.09 0.97 0.02 0.28 -0.67 0.00 0.00 178.83 179.52 1pgr h VAL 22 N 0.16 1.19 -0.84 -0.54 2.07 -0.95 0.39 116.25 117.73 1pgr h VAL 22 Ca -0.05 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1pgr h VAL 22 Cb 1.47 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1pgr h VAL 22 CO 0.14 0.16 0.51 0.03 0.02 0.00 0.00 177.57 178.43 1pgr h ARG 23 N -0.10 0.89 -0.09 1.57 3.08 -1.47 0.28 114.38 118.55 1pgr h ARG 23 Ca 0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1pgr h ARG 23 Cb 0.24 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1pgr h ARG 23 CO 0.00 0.59 0.02 -0.22 -1.07 0.00 0.00 179.97 179.29 1pgr h LYS 24 N 0.92 0.16 -0.49 0.04 3.64 -1.16 -2.62 116.57 117.06 1pgr h LYS 24 Ca 0.37 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1pgr h LYS 24 Cb 0.20 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1pgr h LYS 24 CO -0.19 0.35 -0.01 0.82 -2.27 0.00 0.00 179.45 178.15 1pgr h ILE 25 N -0.07 1.25 0.00 2.00 2.04 -0.57 -1.85 117.51 120.31 1pgr h ILE 25 Ca 0.03 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1pgr h ILE 25 Cb 0.27 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1pgr h ILE 25 CO 0.00 0.37 -0.00 1.56 0.00 0.00 0.00 178.15 180.08 1pgr h GLN 26 N 0.77 0.00 0.04 2.37 4.20 -0.29 0.05 115.11 122.25 1pgr h GLN 26 Ca 0.15 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.58 1pgr h GLN 26 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1pgr h GLN 26 CO 0.02 0.00 -1.48 0.78 -0.67 0.00 0.00 178.83 177.48 1pgr h GLY 27 N 0.02 0.10 0.86 3.46 0.00 -1.01 -2.69 103.07 103.81 1pgr h GLY 27 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1pgr h GLY 27 CO 0.00 0.22 -0.15 -0.55 0.00 0.00 0.00 176.54 176.05 1pgr h ASP 28 N 0.02 -0.37 -0.65 0.19 3.32 -0.52 0.32 116.42 118.74 1pgr h ASP 28 Ca -0.21 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.79 1pgr h ASP 28 Cb 1.95 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 41.56 1pgr h ASP 28 CO 0.12 -0.15 0.43 1.23 -1.72 0.00 0.00 179.24 179.15 1pgr h GLY 29 N -0.58 0.88 0.97 2.75 0.00 -1.15 0.18 103.07 106.13 1pgr h GLY 29 Ca -0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1pgr h GLY 29 CO 0.07 0.28 0.02 0.00 0.00 0.00 0.00 176.54 176.92 1pgr h ALA 30 N 1.62 0.60 -0.62 3.60 0.00 -1.13 0.22 119.26 123.55 1pgr h ALA 30 Ca 0.25 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pgr h ALA 30 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1pgr h ALA 30 CO -0.07 0.37 0.40 0.00 0.00 0.00 0.00 179.25 179.96 1pgr h ALA 31 N 0.92 0.79 0.25 0.00 0.00 0.20 -0.95 119.26 120.46 1pgr h ALA 31 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pgr h ALA 31 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pgr h ALA 31 CO 0.02 0.19 -0.12 1.25 0.00 0.00 0.00 179.25 180.59 1pgr h LEU 32 N 0.82 -0.29 -1.61 0.00 5.85 -0.33 -1.84 115.31 117.91 1pgr h LEU 32 Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1pgr h LEU 32 Cb -0.07 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pgr h LEU 32 CO -0.06 -0.17 0.00 1.56 -0.34 0.00 0.00 178.44 179.43 1pgr h GLN 33 N -0.38 0.00 0.17 1.25 4.20 -0.26 -1.18 115.11 118.91 1pgr h GLN 33 Ca -0.03 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.41 1pgr h GLN 33 Cb 0.29 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.09 1pgr h GLN 33 CO 0.06 0.00 -1.27 1.49 -0.67 0.00 0.00 178.83 178.43 1pgr h GLU 34 N 0.00 0.35 0.26 1.46 4.22 -0.63 -3.17 114.58 117.06 1pgr h GLU 34 Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 59.36 58.85 1pgr h GLU 34 Cb 0.13 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1pgr h GLU 34 CO 0.00 1.29 -0.27 -0.22 -2.18 0.00 0.00 179.01 177.62 1pgr h LYS 35 N -0.17 -0.55 -0.14 1.92 1.63 -0.44 0.25 116.57 119.07 1pgr h LYS 35 Ca -0.25 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1pgr h LYS 35 Cb 1.86 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.61 1pgr h LYS 35 CO 0.15 -0.36 0.12 -0.07 -3.45 0.00 0.00 179.45 175.84 1pgr h LEU 36 N -0.57 0.00 0.00 5.20 3.38 -1.48 0.30 115.31 122.14 1pgr h LEU 36 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1pgr h LEU 36 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1pgr h LEU 36 CO -0.07 0.00 -1.24 0.00 0.09 0.00 0.00 178.44 177.22 1pgr h ALA 38 N 1.65 0.27 0.00 0.00 0.00 -0.22 -2.82 119.26 118.15 1pgr h ALA 38 Ca -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 1pgr h ALA 38 Cb 1.35 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1pgr h ALA 38 CO 0.03 1.14 -0.10 1.15 0.00 0.00 0.00 179.25 181.47 1pgr h THR 39 N 0.08 0.97 -0.38 0.00 2.02 -0.60 -3.39 112.91 111.61 1pgr h THR 39 Ca -0.32 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1pgr h THR 39 Cb 2.06 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1pgr h THR 39 CO 0.15 0.33 0.00 -1.22 0.37 0.00 0.00 175.52 175.15 1pgr n TYR 40 N -4.66 1.28 -3.40 3.16 4.01 -1.01 -4.96 117.16 111.58 1pgr n TYR 40 Ca -0.07 -0.80 -0.22 0.00 -0.16 0.00 0.00 57.90 56.65 1pgr n TYR 40 Cb 0.30 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 38.93 1pgr n TYR 40 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1pgr n LYS 41 N -0.05 -1.66 -3.36 -0.72 4.76 -1.06 -4.84 118.16 111.23 1pgr n LYS 41 Ca 0.23 0.07 -0.45 0.00 -2.87 0.00 0.00 58.31 55.29 1pgr n LYS 41 Cb 0.96 -4.19 -0.01 0.00 -1.84 0.00 0.00 35.03 29.94 1pgr n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pgr s LEU 42 N -5.72 6.47 0.00 -0.35 1.43 -1.03 -4.91 118.68 114.57 1pgr s LEU 42 Ca 0.42 -3.18 0.17 0.00 -1.03 0.00 0.00 54.13 50.51 1pgr s LEU 42 Cb -0.25 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.68 1pgr s LEU 42 CO 0.52 -0.41 0.79 0.00 0.23 0.00 0.00 176.35 177.48 1pgr s HIS 44 N -2.33 1.44 0.59 0.00 3.76 -1.26 -4.98 115.29 112.51 1pgr s HIS 44 Ca 0.10 -1.77 0.30 0.00 -0.15 0.00 0.00 55.06 53.53 1pgr s HIS 44 Cb 0.13 -1.53 1.40 0.00 1.11 0.00 0.00 32.58 33.70 1pgr s HIS 44 CO 0.58 -0.84 1.79 -1.00 -0.85 0.00 0.00 174.74 174.41 1pgr h PRO 45 N 7.65 0.00 -0.58 8.40 0.13 -1.89 -0.83 132.00 144.88 1pgr h PRO 45 Ca -0.08 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.16 1pgr h PRO 45 Cb 0.99 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.01 1pgr h PRO 45 CO 0.44 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 179.06 1pgr h GLU 46 N 0.00 0.05 -0.77 0.86 3.07 -1.97 0.25 114.58 116.07 1pgr h GLU 46 Ca 0.31 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.37 1pgr h GLU 46 Cb 1.61 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.47 1pgr h GLU 46 CO -0.00 0.03 0.54 0.93 -1.40 0.00 0.00 179.01 179.11 1pgr h GLU 47 N 0.05 0.10 -0.46 2.33 5.08 -1.58 0.83 114.58 120.93 1pgr h GLU 47 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1pgr h GLU 47 Cb 0.45 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pgr h GLU 47 CO -0.55 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 178.81 1pgr n LEU 48 N -4.36 2.48 -0.35 1.33 4.77 0.87 -4.63 117.00 117.11 1pgr n LEU 48 Ca 0.16 -1.24 -0.07 0.00 -0.03 0.00 0.00 56.01 54.82 1pgr n LEU 48 Cb 0.77 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1pgr n LEU 48 CO 0.36 0.60 0.54 1.62 -1.33 0.00 0.00 177.39 179.18 1pgr h VAL 49 N 2.65 0.02 -0.39 4.08 3.04 -0.72 -1.08 116.25 123.85 1pgr h VAL 49 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1pgr h VAL 49 Cb 0.63 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1pgr h VAL 49 CO 0.01 0.00 0.08 -0.07 -1.01 0.00 0.00 177.57 176.58 1pgr h LEU 50 N -0.07 0.53 -2.41 3.16 3.38 -1.85 -1.17 115.31 116.88 1pgr h LEU 50 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pgr h LEU 50 Cb 0.52 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1pgr h LEU 50 CO -0.89 0.54 0.19 -0.07 0.09 0.00 0.00 178.44 178.31 1pgr h LEU 51 N 0.56 0.00 -0.27 1.67 3.38 -1.53 0.77 115.31 119.88 1pgr h LEU 51 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1pgr h LEU 51 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1pgr h LEU 51 CO -0.00 0.00 -0.02 1.23 0.09 0.00 0.00 178.44 179.74 1pgr h GLY 52 N 0.00 0.24 0.44 0.83 0.00 -1.15 0.12 103.07 103.55 1pgr h GLY 52 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1pgr h GLY 52 CO -0.00 -0.07 -0.13 0.45 0.00 0.00 0.00 176.54 176.79 1pgr h HIS 53 N 0.06 0.17 -0.86 5.60 3.86 -1.03 -1.07 115.15 121.88 1pgr h HIS 53 Ca 0.13 -0.08 0.19 0.00 -1.16 0.00 0.00 60.37 59.45 1pgr h HIS 53 Cb 0.17 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 28.50 1pgr h HIS 53 CO -0.22 0.80 0.37 0.77 0.86 0.00 0.00 177.93 180.51 1pgr h SER 54 N -0.51 0.33 0.91 2.45 0.02 -1.28 -1.82 113.55 113.64 1pgr h SER 54 Ca -0.01 0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 1pgr h SER 54 Cb 0.82 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1pgr h SER 54 CO 0.03 0.04 -1.18 -0.07 -1.14 0.00 0.00 176.83 174.51 1pgr h LEU 55 N 0.43 0.00 -0.37 5.07 3.38 -0.83 -3.49 115.31 119.51 1pgr h LEU 55 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1pgr h LEU 55 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1pgr h LEU 55 CO -0.49 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1pgr n GLY 56 N 1.36 0.94 3.58 0.83 0.00 -0.59 -4.36 105.19 106.94 1pgr n GLY 56 Ca -0.07 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1pgr n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgr s ILE 57 N -2.37 3.34 0.31 -0.61 -1.09 -0.51 -4.65 121.20 115.62 1pgr s ILE 57 Ca 0.00 0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 58.42 1pgr s ILE 57 Cb 0.00 -3.63 -0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1pgr s ILE 57 CO 0.00 -0.51 1.30 -2.84 -1.23 0.00 0.00 174.94 171.66 1pgr s PRO 58 N 6.53 4.37 0.57 2.79 0.02 -1.26 -4.91 135.00 143.10 1pgr s PRO 58 Ca 0.79 2.18 0.08 0.00 0.02 0.00 0.00 61.00 64.07 1pgr s PRO 58 Cb -0.19 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.32 1pgr s PRO 58 CO 0.28 -0.18 0.78 1.67 -0.33 0.00 0.00 177.00 179.22 1pgr s TRP 59 N -0.96 1.62 -0.07 6.54 1.48 -1.26 -5.01 118.94 121.28 1pgr s TRP 59 Ca 0.50 -0.63 -0.00 0.00 -1.06 0.00 0.00 56.10 54.91 1pgr s TRP 59 Cb -0.39 -2.32 0.03 0.00 -1.16 0.00 0.00 33.47 29.63 1pgr s TRP 59 CO 0.50 -1.12 -0.03 0.00 -4.06 0.00 0.00 176.95 172.25 1pgr s ALA 60 N -2.68 0.83 0.60 2.67 0.00 -1.26 -5.08 121.76 116.85 1pgr s ALA 60 Ca 0.61 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 1pgr s ALA 60 Cb -0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1pgr s ALA 60 CO 0.39 -0.31 0.98 -1.25 0.00 0.00 0.00 175.76 175.57 1pgr s PRO 61 N 1.58 3.37 -0.05 0.00 0.04 -1.26 -4.94 135.00 133.74 1pgr s PRO 61 Ca -0.00 0.49 0.17 0.00 0.04 0.00 0.00 61.00 61.70 1pgr s PRO 61 Cb -0.13 -2.15 0.31 0.00 0.04 0.00 0.00 34.50 32.56 1pgr s PRO 61 CO -0.04 -0.60 1.14 1.28 0.04 0.00 0.00 177.00 178.82 1pgr n LEU 62 N -2.68 0.30 -0.12 -3.56 4.77 -1.26 -4.79 117.00 109.66 1pgr n LEU 62 Ca 0.05 -2.19 0.12 0.00 -0.03 0.00 0.00 56.01 53.97 1pgr n LEU 62 Cb 0.55 0.06 0.48 0.00 -2.33 0.00 0.00 43.42 42.18 1pgr n LEU 62 CO 0.56 0.93 1.20 0.77 -1.33 0.00 0.00 177.39 179.53 1pgr h SER 63 N 0.87 0.42 0.61 -1.43 4.64 -1.98 0.73 113.55 117.41 1pgr h SER 63 Ca -0.34 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1pgr h SER 63 Cb 1.65 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1pgr h SER 63 CO -0.03 0.24 0.00 -1.20 -0.87 0.00 0.00 176.83 174.98 1pgr n SER 64 N -4.48 0.00 0.07 4.97 7.64 -1.26 -3.78 113.62 116.79 1pgr n SER 64 Ca 0.11 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 60.07 1pgr n SER 64 Cb 0.40 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 1pgr n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pgr n PRO 66 N -3.43 3.26 -0.89 0.00 -0.02 -1.25 -4.66 135.00 128.01 1pgr n PRO 66 Ca -0.10 -2.06 0.00 0.00 -2.02 0.00 0.00 63.50 59.32 1pgr n PRO 66 Cb 1.02 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1pgr n PRO 66 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1pgr n SER 67 N 2.79 0.00 -0.57 2.55 7.64 -1.25 -5.13 113.62 119.64 1pgr n SER 67 Ca 0.64 -0.59 0.07 0.00 1.01 0.00 0.00 58.87 60.00 1pgr n SER 67 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1pgr n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pgr n GLN 68 N 0.00 -1.07 0.00 1.43 1.13 -1.26 -5.02 117.38 112.59 1pgr n GLN 68 Ca 0.00 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 1pgr n GLN 68 Cb 0.00 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1pgr n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pgr n ALA 69 N -1.37 0.00 0.39 -1.58 0.00 -1.26 -4.86 120.51 111.84 1pgr n ALA 69 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1pgr n ALA 69 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.72 1pgr n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pgr n LEU 70 N 0.00 0.63 -4.15 0.00 0.00 -1.26 -4.27 117.00 107.95 1pgr n LEU 70 Ca 0.00 0.11 -0.34 0.00 0.00 0.00 0.00 56.01 55.78 1pgr n LEU 70 Cb 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 43.42 43.19 1pgr n LEU 70 CO 0.00 -0.04 -0.37 -1.10 0.00 0.00 0.00 177.39 175.89 1pgr s GLN 71 N -3.27 2.35 -0.31 1.96 -0.21 -1.26 -4.32 119.66 114.60 1pgr s GLN 71 Ca 0.02 -1.32 0.17 0.00 0.02 0.00 0.00 55.36 54.24 1pgr s GLN 71 Cb 0.13 -3.15 0.45 0.00 1.00 0.00 0.00 33.01 31.44 1pgr s GLN 71 CO 0.80 -0.64 1.35 1.47 -2.12 0.00 0.00 175.29 176.14 1pgr n LEU 72 N 4.58 -0.27 0.12 2.90 -0.00 -1.26 -4.26 117.00 118.81 1pgr n LEU 72 Ca -0.12 -3.19 0.01 0.00 -0.00 0.00 0.00 56.01 52.71 1pgr n LEU 72 Cb 0.43 0.24 -0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1pgr n LEU 72 CO 0.26 1.48 0.41 0.00 -0.00 0.00 0.00 177.39 179.53 1pgr h ALA 73 N 1.74 0.61 -0.11 1.47 0.00 -1.96 -2.69 119.26 118.33 1pgr h ALA 73 Ca -0.31 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 1pgr h ALA 73 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pgr h ALA 73 CO -0.02 0.75 0.04 0.78 0.00 0.00 0.00 179.25 180.81 1pgr h GLY 74 N 3.40 0.18 1.07 0.00 0.00 -1.91 0.11 103.07 105.92 1pgr h GLY 74 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1pgr h GLY 74 CO 0.08 0.10 0.08 0.00 0.00 0.00 0.00 176.54 176.80 1pgr h LEU 76 N 1.01 0.00 -0.04 0.00 3.38 -1.21 -1.12 115.31 117.33 1pgr h LEU 76 Ca 0.19 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 1pgr h LEU 76 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1pgr h LEU 76 CO 0.02 0.22 -1.04 0.28 0.09 0.00 0.00 178.44 178.01 1pgr h SER 77 N 0.00 0.17 -0.05 -0.43 0.02 -0.38 -2.60 113.55 110.28 1pgr h SER 77 Ca -0.00 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1pgr h SER 77 Cb 0.42 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1pgr h SER 77 CO 0.03 1.09 -0.15 1.56 -1.14 0.00 0.00 176.83 178.22 1pgr h GLN 78 N 0.04 0.20 -0.32 3.45 4.20 -0.95 -2.02 115.11 119.72 1pgr h GLN 78 Ca -0.05 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.59 1pgr h GLN 78 Cb 1.76 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.49 1pgr h GLN 78 CO 0.15 0.75 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.87 1pgr h LEU 79 N -0.33 -0.44 0.02 1.46 3.38 -1.29 0.38 115.31 118.49 1pgr h LEU 79 Ca -0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pgr h LEU 79 Cb 0.76 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pgr h LEU 79 CO 0.03 -0.16 -0.01 -0.74 0.09 0.00 0.00 178.44 177.65 1pgr h HIS 80 N -0.07 -0.02 -0.20 1.13 2.76 -1.51 -0.97 115.15 116.27 1pgr h HIS 80 Ca 0.16 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1pgr h HIS 80 Cb 0.32 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1pgr h HIS 80 CO -0.34 0.08 -0.14 0.66 -1.30 0.00 0.00 177.93 176.89 1pgr h SER 81 N -0.12 0.32 -0.07 3.26 4.64 -0.96 0.44 113.55 121.06 1pgr h SER 81 Ca -0.00 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1pgr h SER 81 Cb 0.11 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pgr h SER 81 CO 0.00 0.49 0.00 1.23 -0.87 0.00 0.00 176.83 177.68 1pgr h GLY 82 N 0.84 0.14 1.46 -0.77 0.00 -0.08 0.53 103.07 105.20 1pgr h GLY 82 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1pgr h GLY 82 CO 0.03 0.09 -0.07 1.41 0.00 0.00 0.00 176.54 178.00 1pgr h LEU 83 N -0.15 0.63 -1.45 3.11 3.38 -0.80 -1.85 115.31 118.17 1pgr h LEU 83 Ca 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1pgr h LEU 83 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pgr h LEU 83 CO 0.00 0.75 -0.15 0.15 0.09 0.00 0.00 178.44 179.28 1pgr h PHE 84 N 0.60 0.18 -0.03 1.13 3.57 0.29 -1.55 116.94 121.12 1pgr h PHE 84 Ca 0.11 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1pgr h PHE 84 Cb 0.49 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1pgr h PHE 84 CO 0.02 0.32 -0.13 1.25 -2.23 0.00 0.00 178.31 177.54 1pgr h LEU 85 N 0.16 0.18 -1.82 0.59 5.85 -0.09 -2.87 115.31 117.30 1pgr h LEU 85 Ca 0.03 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 1pgr h LEU 85 Cb 0.37 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1pgr h LEU 85 CO 0.02 0.79 -0.11 1.88 -0.34 0.00 0.00 178.44 180.67 1pgr h TYR 86 N -0.42 0.00 -0.30 1.25 0.05 -1.25 0.19 116.97 116.48 1pgr h TYR 86 Ca -0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1pgr h TYR 86 Cb 0.78 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 1pgr h TYR 86 CO 0.14 0.11 -0.36 0.37 -1.05 0.00 0.00 178.16 177.38 1pgr h GLN 87 N 0.00 0.69 -0.17 4.88 4.15 -1.27 -2.22 115.11 121.17 1pgr h GLN 87 Ca -0.00 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 1pgr h GLN 87 Cb 0.40 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1pgr h GLN 87 CO 0.01 0.94 -0.28 0.78 -1.93 0.00 0.00 178.83 178.35 1pgr h GLY 88 N 0.98 0.54 0.98 2.39 0.00 -0.47 -2.75 103.07 104.74 1pgr h GLY 88 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1pgr h GLY 88 CO 0.08 0.55 0.29 1.41 0.00 0.00 0.00 176.54 178.87 1pgr h LEU 89 N 0.14 0.68 -1.09 3.11 3.38 -1.05 -0.63 115.31 119.85 1pgr h LEU 89 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pgr h LEU 89 Cb 0.86 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1pgr h LEU 89 CO 0.06 0.58 0.49 -0.07 0.09 0.00 0.00 178.44 179.59 1pgr h LEU 90 N 0.72 0.99 -0.80 1.67 3.38 -1.45 -1.31 115.31 118.51 1pgr h LEU 90 Ca 0.19 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1pgr h LEU 90 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1pgr h LEU 90 CO -0.03 0.76 -0.00 1.56 0.09 0.00 0.00 178.44 180.82 1pgr h GLN 91 N 1.13 0.90 -0.17 1.13 4.20 -1.11 -2.76 115.11 118.43 1pgr h GLN 91 Ca 0.29 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1pgr h GLN 91 Cb -0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1pgr h GLN 91 CO -0.05 0.90 0.12 0.00 -0.67 0.00 0.00 178.83 179.13 1pgr h ALA 92 N 1.15 2.06 0.00 3.87 0.00 0.03 -0.93 119.26 125.44 1pgr h ALA 92 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pgr h ALA 92 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pgr h ALA 92 CO 0.02 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1pgr n LEU 93 N -4.50 0.00 -4.27 0.00 4.77 -0.96 -4.87 117.00 107.16 1pgr n LEU 93 Ca 0.01 0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 1pgr n LEU 93 Cb 0.19 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 1pgr n LEU 93 CO 0.35 -0.02 -0.46 -0.62 -1.33 0.00 0.00 177.39 175.31 1pgr n GLU 94 N -1.04 -0.91 -0.79 3.23 4.71 -0.36 0.35 120.64 125.84 1pgr n GLU 94 Ca 0.12 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 1pgr n GLU 94 Cb 0.07 -3.46 0.00 0.00 -1.01 0.00 0.00 31.44 27.04 1pgr n GLU 94 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pgr n GLY 95 N -2.54 0.65 5.00 0.62 0.00 -1.26 -4.55 105.19 103.12 1pgr n GLY 95 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1pgr n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pgr n ILE 96 N -2.00 0.00 -3.67 -0.61 5.41 0.15 -2.76 119.36 115.89 1pgr n ILE 96 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1pgr n ILE 96 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1pgr n ILE 96 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1pgr s SER 97 N 0.00 -0.34 0.27 4.38 1.04 -1.26 -4.87 113.70 112.91 1pgr s SER 97 Ca 0.00 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1pgr s SER 97 Cb 0.00 0.60 0.46 0.00 0.10 0.00 0.00 66.02 67.18 1pgr s SER 97 CO 0.00 -1.07 1.85 -0.65 0.98 0.00 0.00 173.24 174.35 1pgr h PRO 98 N 2.00 1.00 0.00 4.02 0.11 -1.96 0.65 132.00 137.82 1pgr h PRO 98 Ca -0.25 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 1pgr h PRO 98 Cb 1.26 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1pgr h PRO 98 CO 0.29 0.66 -0.23 1.49 -0.21 0.00 0.00 178.00 180.00 1pgr h GLU 99 N 1.03 0.00 -0.00 1.05 4.57 -1.97 -3.06 114.58 116.20 1pgr h GLU 99 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1pgr h GLU 99 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1pgr h GLU 99 CO -0.22 0.23 -0.71 1.28 -1.18 0.00 0.00 179.01 178.41 1pgr n LEU 100 N -3.60 0.78 -0.13 1.64 4.32 -0.66 -4.64 117.00 114.71 1pgr n LEU 100 Ca -0.01 -0.52 -0.08 0.00 -0.02 0.00 0.00 56.01 55.39 1pgr n LEU 100 Cb 0.37 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.15 1pgr n LEU 100 CO 0.33 0.19 0.63 1.23 -1.22 0.00 0.00 177.39 178.55 1pgr h GLY 101 N 3.64 -0.28 1.00 -0.72 0.00 0.47 0.22 103.07 107.40 1pgr h GLY 101 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1pgr h GLY 101 CO 0.00 -0.20 0.35 -2.55 0.00 0.00 0.00 176.54 174.14 1pgr h PRO 102 N -0.25 0.91 0.10 4.80 0.11 -1.82 0.13 132.00 135.97 1pgr h PRO 102 Ca 0.18 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1pgr h PRO 102 Cb 0.55 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1pgr h PRO 102 CO -0.57 0.69 -0.05 1.15 -0.21 0.00 0.00 178.00 179.01 1pgr h THR 103 N 0.89 0.98 -0.89 -1.15 2.02 -1.68 -1.35 112.91 111.72 1pgr h THR 103 Ca 0.23 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1pgr h THR 103 Cb 0.05 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1pgr h THR 103 CO -0.04 0.07 0.52 0.25 0.37 0.00 0.00 175.52 176.69 1pgr h LEU 104 N -0.25 1.08 -0.69 2.58 5.85 -0.88 -2.58 115.31 120.43 1pgr h LEU 104 Ca -0.01 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1pgr h LEU 104 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1pgr h LEU 104 CO 0.02 0.84 0.45 -0.78 -0.34 0.00 0.00 178.44 178.63 1pgr h ASP 105 N 1.23 0.77 0.07 1.25 3.58 -0.38 -1.00 116.42 121.94 1pgr h ASP 105 Ca 0.32 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.77 1pgr h ASP 105 Cb -0.02 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1pgr h ASP 105 CO -0.06 0.55 -0.20 0.74 -2.88 0.00 0.00 179.24 177.39 1pgr h THR 106 N 0.91 0.54 -0.72 2.25 2.02 -0.89 -2.25 112.91 114.75 1pgr h THR 106 Ca 0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.52 1pgr h THR 106 Cb -0.07 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 1pgr h THR 106 CO -0.07 0.00 0.38 0.25 0.37 0.00 0.00 175.52 176.46 1pgr h LEU 107 N -0.36 0.53 -0.72 2.58 5.85 -1.05 -2.37 115.31 119.77 1pgr h LEU 107 Ca 0.04 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1pgr h LEU 107 Cb 0.40 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1pgr h LEU 107 CO -0.14 0.32 -0.52 0.06 -0.34 0.00 0.00 178.44 177.81 1pgr h GLN 108 N 0.67 0.30 0.45 1.25 -0.00 -0.97 -1.94 115.11 114.88 1pgr h GLN 108 Ca 0.35 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 1pgr h GLN 108 Cb 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1pgr h GLN 108 CO -0.24 0.76 -0.22 -0.07 -0.00 0.00 0.00 178.83 179.06 1pgr h LEU 109 N 0.24 -0.52 -0.67 0.06 3.38 -1.12 -0.25 115.31 116.44 1pgr h LEU 109 Ca 0.01 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1pgr h LEU 109 Cb 1.00 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 1pgr h LEU 109 CO 0.08 -0.24 0.01 0.44 0.09 0.00 0.00 178.44 178.83 1pgr h ASP 110 N -0.79 -0.28 -0.41 -0.43 5.19 -1.41 0.09 116.42 118.38 1pgr h ASP 110 Ca -0.06 0.17 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1pgr h ASP 110 Cb 0.55 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 1pgr h ASP 110 CO 0.10 -0.13 0.06 0.58 -3.12 0.00 0.00 179.24 176.73 1pgr h VAL 111 N 0.12 1.24 -0.15 -1.35 2.07 -1.27 -1.94 116.25 114.98 1pgr h VAL 111 Ca 0.36 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1pgr h VAL 111 Cb 0.59 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1pgr h VAL 111 CO -0.57 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.42 1pgr h ALA 112 N 0.93 0.19 -0.04 1.67 0.00 0.14 -1.48 119.26 120.67 1pgr h ALA 112 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pgr h ALA 112 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pgr h ALA 112 CO 0.01 -0.29 -0.26 -0.44 0.00 0.00 0.00 179.25 178.28 1pgr h ASP 113 N 0.17 0.07 -0.52 0.00 5.19 -0.98 -0.96 116.42 119.38 1pgr h ASP 113 Ca 0.05 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 1pgr h ASP 113 Cb 0.04 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1pgr h ASP 113 CO -0.01 0.33 -0.12 0.15 -3.12 0.00 0.00 179.24 176.48 1pgr h PHE 114 N 0.07 1.12 0.52 4.55 3.57 -0.93 -0.71 116.94 125.14 1pgr h PHE 114 Ca 0.01 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1pgr h PHE 114 Cb 0.49 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.96 1pgr h PHE 114 CO 0.00 1.05 -0.25 0.00 -2.23 0.00 0.00 178.31 176.88 1pgr h ALA 115 N 0.91 -0.70 -0.70 2.41 0.00 -0.42 -2.17 119.26 118.59 1pgr h ALA 115 Ca 0.13 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1pgr h ALA 115 Cb 0.68 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 1pgr h ALA 115 CO 0.05 -0.82 -0.29 1.15 0.00 0.00 0.00 179.25 179.33 1pgr h THR 116 N -0.84 0.17 -1.00 0.00 2.02 -1.09 0.81 112.91 112.97 1pgr h THR 116 Ca -0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.21 1pgr h THR 116 Cb 0.59 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 1pgr h THR 116 CO 0.12 0.00 0.64 0.74 0.37 0.00 0.00 175.52 177.39 1pgr h THR 117 N -0.09 0.99 -0.03 3.16 2.02 -1.10 0.32 112.91 118.18 1pgr h THR 117 Ca 0.29 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.93 1pgr h THR 117 Cb 0.56 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1pgr h THR 117 CO -0.76 0.19 -0.77 0.40 0.37 0.00 0.00 175.52 174.95 1pgr h ILE 118 N 1.07 1.45 0.68 3.11 2.04 -0.24 -2.86 117.51 122.76 1pgr h ILE 118 Ca 0.47 -2.37 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 1pgr h ILE 118 Cb 0.36 2.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1pgr h ILE 118 CO -0.23 0.69 -0.33 -0.25 0.00 0.00 0.00 178.15 178.04 1pgr h TRP 119 N 0.14 -0.85 -0.79 1.37 2.91 0.13 -2.40 115.95 116.46 1pgr h TRP 119 Ca -0.03 -0.02 0.23 0.00 1.13 0.00 0.00 58.89 60.20 1pgr h TRP 119 Cb 1.35 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 30.25 1pgr h TRP 119 CO 0.03 -0.53 0.57 1.96 -1.03 0.00 0.00 178.44 179.43 1pgr h GLN 120 N -1.07 0.01 -0.10 2.65 4.20 -1.06 0.15 115.11 119.88 1pgr h GLN 120 Ca -0.09 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1pgr h GLN 120 Cb 0.70 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.49 1pgr h GLN 120 CO 0.15 0.00 -0.43 0.37 -0.67 0.00 0.00 178.83 178.25 1pgr h GLN 121 N 0.01 0.46 -0.52 1.46 5.75 -1.46 -1.17 115.11 119.64 1pgr h GLN 121 Ca 0.38 -0.37 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1pgr h GLN 121 Cb 1.50 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 30.07 1pgr h GLN 121 CO -0.01 1.00 0.25 0.52 -2.65 0.00 0.00 178.83 177.95 1pgr h MET 122 N 0.04 0.47 0.14 1.69 2.86 -0.26 0.25 114.93 120.12 1pgr h MET 122 Ca -0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pgr h MET 122 Cb 1.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1pgr h MET 122 CO 0.09 0.31 -0.25 0.93 1.06 0.00 0.00 176.91 179.06 1pgr h GLU 123 N 0.49 -0.40 -0.73 1.72 5.08 -1.09 0.21 114.58 119.87 1pgr h GLU 123 Ca 0.23 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1pgr h GLU 123 Cb 0.16 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.38 1pgr h GLU 123 CO -0.17 -0.26 -0.42 0.93 -1.00 0.00 0.00 179.01 178.08 1pgr h GLU 124 N -0.41 -0.13 0.00 2.33 5.08 -0.56 0.48 114.58 121.36 1pgr h GLU 124 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pgr h GLU 124 Cb 0.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pgr h GLU 124 CO -0.09 -0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.11 1pgr n LEU 125 N -5.41 0.00 0.00 1.33 4.77 0.83 -4.81 117.00 113.70 1pgr n LEU 125 Ca 0.04 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1pgr n LEU 125 Cb 0.35 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pgr n LEU 125 CO -0.05 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1pgr n GLY 126 N -0.54 2.37 0.00 -0.72 0.00 0.17 -4.87 105.19 101.59 1pgr n GLY 126 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pgr n GLY 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pgr n MET 127 N -2.00 0.00 0.00 1.61 0.00 0.61 -4.89 117.12 112.45 1pgr n MET 127 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 57.70 58.03 1pgr n MET 127 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 31.68 1pgr n MET 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pgr n ALA 128 N -1.32 0.00 -1.58 3.17 0.00 -1.00 -4.89 120.51 114.88 1pgr n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pgr n ALA 128 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1pgr n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgr n ALA 137 N 6.20 0.15 -2.34 0.00 0.00 -1.26 -4.80 120.51 118.47 1pgr n ALA 137 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1pgr n ALA 137 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1pgr n ALA 137 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1pgr s MET 138 N 0.58 3.83 1.32 0.00 1.00 -1.26 -5.01 119.30 119.75 1pgr s MET 138 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 55.69 55.87 1pgr s MET 138 Cb 0.00 -2.57 0.33 0.00 0.00 0.00 0.00 34.83 32.60 1pgr s MET 138 CO 0.00 0.23 0.90 -2.30 0.00 0.00 0.00 175.02 173.85 1pgr n PRO 139 N -0.41 -3.58 -0.10 2.03 -0.02 -1.26 -5.04 135.00 126.61 1pgr n PRO 139 Ca 0.01 -1.04 -0.23 0.00 -2.02 0.00 0.00 63.50 60.22 1pgr n PRO 139 Cb 0.53 -2.03 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 1pgr n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pgr n ALA 140 N -5.37 1.16 -3.59 3.55 0.00 -1.26 -4.98 120.51 110.02 1pgr n ALA 140 Ca 0.07 -0.91 -0.25 0.00 0.00 0.00 0.00 53.44 52.34 1pgr n ALA 140 Cb 0.57 -0.21 0.01 0.00 0.00 0.00 0.00 19.45 19.82 1pgr n ALA 140 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pgr n PHE 141 N -3.78 -2.40 0.03 0.00 3.72 -1.26 -4.86 117.46 108.90 1pgr n PHE 141 Ca -0.44 0.98 -0.04 0.00 -0.05 0.00 0.00 57.45 57.90 1pgr n PHE 141 Cb 0.92 -2.72 0.14 0.00 -0.94 0.00 0.00 39.48 36.89 1pgr n PHE 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pgr n ALA 142 N -1.74 3.56 -3.64 4.37 0.00 -1.26 -4.55 120.51 117.25 1pgr n ALA 142 Ca -0.20 -1.13 -0.05 0.00 0.00 0.00 0.00 53.44 52.05 1pgr n ALA 142 Cb 0.66 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1pgr n ALA 142 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pgr s SER 143 N -0.22 -0.25 0.11 0.00 1.04 -1.26 -4.97 113.70 108.15 1pgr s SER 143 Ca 0.26 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.20 1pgr s SER 143 Cb 0.21 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 1pgr s SER 143 CO 0.06 -0.75 1.46 0.00 0.98 0.00 0.00 173.24 175.00 1pgr h ALA 144 N 2.00 -0.71 -0.59 5.32 0.00 -1.93 0.30 119.26 123.65 1pgr h ALA 144 Ca -0.23 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1pgr h ALA 144 Cb 1.23 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.04 1pgr h ALA 144 CO 0.28 -0.94 0.32 0.35 0.00 0.00 0.00 179.25 179.26 1pgr h PHE 145 N -0.34 0.59 -0.68 0.00 3.57 -1.97 0.69 116.94 118.81 1pgr h PHE 145 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1pgr h PHE 145 Cb 0.50 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1pgr h PHE 145 CO -0.71 0.30 0.32 1.96 -2.23 0.00 0.00 178.31 177.95 1pgr h GLN 146 N 0.61 0.96 -0.42 1.11 4.20 -1.67 0.48 115.11 120.38 1pgr h GLN 146 Ca 0.26 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 1pgr h GLN 146 Cb 0.14 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1pgr h GLN 146 CO -0.16 0.75 -0.24 0.00 -0.67 0.00 0.00 178.83 178.50 1pgr h ARG 147 N 0.96 0.88 -0.27 1.46 3.08 0.60 0.47 114.38 121.55 1pgr h ARG 147 Ca 0.23 -0.38 -0.19 0.00 0.07 0.00 0.00 59.98 59.72 1pgr h ARG 147 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1pgr h ARG 147 CO -0.03 1.02 -0.57 0.00 -1.07 0.00 0.00 179.97 179.33 1pgr h ARG 148 N 0.75 0.84 -0.02 0.04 3.08 -0.17 1.00 114.38 119.90 1pgr h ARG 148 Ca 0.10 -0.55 -0.06 0.00 0.07 0.00 0.00 59.98 59.54 1pgr h ARG 148 Cb 0.79 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1pgr h ARG 148 CO 0.07 1.18 -0.21 0.00 -1.07 0.00 0.00 179.97 179.94 1pgr h ALA 149 N 0.71 0.06 -0.78 0.04 0.00 0.01 -2.15 119.26 117.14 1pgr h ALA 149 Ca 0.01 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1pgr h ALA 149 Cb 1.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1pgr h ALA 149 CO 0.12 0.05 0.51 0.78 0.00 0.00 0.00 179.25 180.72 1pgr h GLY 150 N -0.44 1.07 0.98 0.00 0.00 -0.09 -0.53 103.07 104.06 1pgr h GLY 150 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1pgr h GLY 150 CO 0.04 0.25 0.29 -1.33 0.00 0.00 0.00 176.54 175.79 1pgr h GLY 151 N 0.84 0.81 1.72 4.60 0.00 -0.68 -0.62 103.07 109.75 1pgr h GLY 151 Ca 0.33 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1pgr h GLY 151 CO -0.11 0.36 -0.35 -2.08 0.00 0.00 0.00 176.54 174.36 1pgr h VAL 152 N 0.73 1.29 0.05 4.60 2.07 -0.49 -1.80 116.25 122.69 1pgr h VAL 152 Ca 0.19 -1.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.16 1pgr h VAL 152 Cb 0.06 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1pgr h VAL 152 CO -0.03 0.43 -0.62 -0.07 0.02 0.00 0.00 177.57 177.30 1pgr h LEU 153 N 0.27 0.45 -0.72 2.57 3.38 -0.90 -2.86 115.31 117.50 1pgr h LEU 153 Ca 0.03 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 57.10 1pgr h LEU 153 Cb 0.75 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1pgr h LEU 153 CO 0.06 1.25 0.20 0.58 0.09 0.00 0.00 178.44 180.61 1pgr h VAL 154 N -0.28 1.26 -0.80 1.22 2.07 -1.13 0.12 116.25 118.71 1pgr h VAL 154 Ca -0.09 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1pgr h VAL 154 Cb 1.38 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1pgr h VAL 154 CO 0.12 0.37 0.53 0.00 0.02 0.00 0.00 177.57 178.61 1pgr h ALA 155 N 1.10 1.02 0.00 1.67 0.00 -1.41 0.27 119.26 121.91 1pgr h ALA 155 Ca 0.23 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1pgr h ALA 155 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1pgr h ALA 155 CO -0.00 0.42 -0.56 0.66 0.00 0.00 0.00 179.25 179.77 1pgr h SER 156 N 1.08 0.00 0.66 0.00 4.64 -1.20 -0.55 113.55 118.18 1pgr h SER 156 Ca 0.30 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.44 1pgr h SER 156 Cb -0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1pgr h SER 156 CO -0.07 0.56 -0.79 0.45 -0.87 0.00 0.00 176.83 176.11 1pgr h HIS 157 N 0.00 0.13 -0.13 4.77 3.86 -0.28 -2.26 115.15 121.24 1pgr h HIS 157 Ca -0.01 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1pgr h HIS 157 Cb 1.18 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1pgr h HIS 157 CO 0.00 0.84 -0.02 1.25 0.86 0.00 0.00 177.93 180.86 1pgr h LEU 158 N 0.05 0.25 -0.70 2.43 5.85 -0.72 -1.34 115.31 121.13 1pgr h LEU 158 Ca -0.02 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.41 1pgr h LEU 158 Cb 1.39 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1pgr h LEU 158 CO 0.11 0.54 0.40 1.56 -0.34 0.00 0.00 178.44 180.71 1pgr h GLN 159 N -0.04 0.71 -0.45 1.25 1.08 -1.00 -0.30 115.11 116.36 1pgr h GLN 159 Ca 0.04 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1pgr h GLN 159 Cb 0.43 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1pgr h GLN 159 CO 0.01 0.47 0.16 0.77 -0.95 0.00 0.00 178.83 179.29 1pgr h SER 160 N 0.73 0.65 -0.61 1.46 0.02 -1.16 0.46 113.55 115.10 1pgr h SER 160 Ca 0.32 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1pgr h SER 160 Cb 0.19 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1pgr h SER 160 CO -0.18 0.66 0.32 0.15 -1.14 0.00 0.00 176.83 176.64 1pgr h PHE 161 N 0.59 0.58 -0.09 3.45 3.57 -0.49 -1.69 116.94 122.87 1pgr h PHE 161 Ca 0.15 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1pgr h PHE 161 Cb 0.23 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1pgr h PHE 161 CO 0.01 0.27 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.76 1pgr h LEU 162 N 0.60 0.29 -0.95 0.59 3.38 -0.63 -0.47 115.31 118.12 1pgr h LEU 162 Ca 0.27 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1pgr h LEU 162 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1pgr h LEU 162 CO -0.18 0.77 -0.35 -0.08 0.09 0.00 0.00 178.44 178.69 1pgr h GLU 163 N 0.21 0.33 0.05 1.13 4.81 -0.46 0.10 114.58 120.75 1pgr h GLU 163 Ca 0.00 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 58.85 1pgr h GLU 163 Cb 1.00 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.40 1pgr h GLU 163 CO 0.08 0.64 -0.96 0.28 -0.73 0.00 0.00 179.01 178.33 1pgr h VAL 164 N 0.28 1.35 -0.92 0.32 2.07 -1.08 -3.25 116.25 115.02 1pgr h VAL 164 Ca 0.03 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 65.26 1pgr h VAL 164 Cb 0.76 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 1pgr h VAL 164 CO 0.06 0.69 0.60 0.28 0.02 0.00 0.00 177.57 179.22 1pgr h SER 165 N 0.13 1.07 -0.63 0.57 0.02 -0.84 -1.82 113.55 112.05 1pgr h SER 165 Ca -0.14 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1pgr h SER 165 Cb 1.65 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 1pgr h SER 165 CO 0.19 0.78 0.22 0.22 -1.14 0.00 0.00 176.83 177.10 1pgr h TYR 166 N 1.25 0.38 0.22 3.45 3.20 -0.85 0.16 116.97 124.77 1pgr h TYR 166 Ca 0.34 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1pgr h TYR 166 Cb -0.13 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1pgr h TYR 166 CO -0.00 0.07 -0.11 0.00 -1.64 0.00 0.00 178.16 176.48 1pgr h ARG 167 N 0.39 -0.29 -0.67 1.82 2.47 -1.46 0.20 114.38 116.85 1pgr h ARG 167 Ca 0.32 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 59.20 1pgr h ARG 167 Cb 0.42 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 28.70 1pgr h ARG 167 CO -0.33 -0.01 0.06 0.28 0.56 0.00 0.00 179.97 180.52 1pgr h VAL 168 N -0.54 0.49 -0.08 2.04 2.07 -0.76 0.51 116.25 119.97 1pgr h VAL 168 Ca -0.03 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1pgr h VAL 168 Cb 0.40 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1pgr h VAL 168 CO 0.05 0.03 -0.07 -0.07 0.02 0.00 0.00 177.57 177.53 1pgr h LEU 169 N 0.16 0.20 -0.85 2.57 3.38 -0.58 -1.17 115.31 119.02 1pgr h LEU 169 Ca 0.36 -0.48 0.12 0.00 0.09 0.00 0.00 57.88 57.97 1pgr h LEU 169 Cb 0.60 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1pgr h LEU 169 CO -0.53 0.64 0.47 0.03 0.09 0.00 0.00 178.44 179.13 1pgr h ARG 170 N -0.23 0.72 -0.28 1.13 3.08 0.16 0.20 114.38 119.16 1pgr h ARG 170 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1pgr h ARG 170 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1pgr h ARG 170 CO 0.02 0.48 0.18 1.25 -1.07 0.00 0.00 179.97 180.83 1pgr h HIS 171 N 0.75 0.35 -0.88 3.04 2.76 -0.79 -0.37 115.15 120.01 1pgr h HIS 171 Ca 0.43 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.59 1pgr h HIS 171 Cb 0.48 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1pgr h HIS 171 CO -0.07 0.23 0.47 -0.07 -1.30 0.00 0.00 177.93 177.20 1pgr h LEU 172 N 0.37 1.11 -0.35 0.26 4.07 0.27 -2.62 115.31 118.41 1pgr h LEU 172 Ca 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pgr h LEU 172 Cb -0.03 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.43 1pgr h LEU 172 CO -0.02 0.89 0.00 0.00 -1.08 0.00 0.00 178.44 178.23 1pgr h ALA 173 N 1.28 1.00 -2.17 1.53 0.00 -0.14 -3.35 119.26 117.43 1pgr h ALA 173 Ca 0.31 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.63 1pgr h ALA 173 Cb 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.42 1pgr h ALA 173 CO -0.05 0.00 -0.68 0.94 0.00 0.00 0.00 179.25 179.46 1pgr n GLN 174 N -2.47 2.29 0.00 0.00 -0.06 -0.20 -5.08 117.38 111.86 1pgr n GLN 174 Ca 0.04 -4.45 0.13 0.00 -2.00 0.00 0.00 57.00 50.71 1pgr n GLN 174 Cb 0.37 -2.09 0.22 0.00 -4.06 0.00 0.00 30.24 24.68 1pgr n GLN 174 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51