#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtl n LEU 10 N 4.84 0.00 -0.08 0.00 -0.00 -1.26 -4.88 117.00 115.62 2gtl n LEU 10 Ca -0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.75 2gtl n LEU 10 Cb 0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.71 2gtl n LEU 10 CO 0.44 0.00 -0.22 0.58 -0.00 0.00 0.00 177.39 178.18 2gtl h VAL 11 N 0.00 1.21 -0.03 1.47 2.07 -1.97 -3.35 116.25 115.65 2gtl h VAL 11 Ca 0.00 -2.25 -0.03 0.00 0.82 0.00 0.00 66.70 65.24 2gtl h VAL 11 Cb 0.00 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2gtl h VAL 11 CO 0.00 0.44 -0.11 0.71 0.02 0.00 0.00 177.57 178.63 2gtl h THR 12 N -0.94 1.49 0.00 2.57 1.35 -2.00 -2.90 112.91 112.48 2gtl h THR 12 Ca -0.23 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 2gtl h THR 12 Cb 1.25 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 2gtl h THR 12 CO -0.12 0.43 0.36 -0.33 -0.25 0.00 0.00 175.52 175.61 2gtl h GLU 13 N -0.47 0.00 0.00 4.72 5.08 -1.94 0.05 114.58 122.01 2gtl h GLU 13 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2gtl h GLU 13 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2gtl h GLU 13 CO 0.02 0.00 -0.38 -1.13 -1.00 0.00 0.00 179.01 176.52 2gtl n SER 14 N -2.21 1.32 -0.34 1.42 3.41 -1.17 -3.71 113.62 112.33 2gtl n SER 14 Ca -0.01 0.52 0.29 0.00 -0.26 0.00 0.00 58.87 59.42 2gtl n SER 14 Cb 0.38 -0.77 0.55 0.00 -0.26 0.00 0.00 64.21 64.12 2gtl n SER 14 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gtl h LEU 15 N -0.73 0.39 -0.21 1.04 5.85 -1.10 1.16 115.31 121.71 2gtl h LEU 15 Ca 0.00 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2gtl h LEU 15 Cb 0.38 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2gtl h LEU 15 CO 0.00 -0.28 0.10 0.50 -0.34 0.00 0.00 178.44 178.42 2gtl h LYS 16 N 0.14 0.21 -0.09 1.25 1.63 -1.20 0.14 116.57 118.65 2gtl h LYS 16 Ca 0.80 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.56 2gtl h LYS 16 Cb 2.05 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.64 2gtl h LYS 16 CO -0.66 0.14 -0.06 0.28 -3.45 0.00 0.00 179.45 175.70 2gtl h VAL 17 N 0.22 1.34 -0.89 2.00 2.07 0.10 -0.16 116.25 120.93 2gtl h VAL 17 Ca 0.08 -1.14 0.18 0.00 0.82 0.00 0.00 66.70 66.64 2gtl h VAL 17 Cb 0.02 1.91 -0.11 0.00 -1.52 0.00 0.00 31.29 31.59 2gtl h VAL 17 CO -0.06 0.32 0.45 0.11 0.02 0.00 0.00 177.57 178.41 2gtl h LYS 18 N -0.19 0.54 0.25 1.57 1.57 -0.08 0.38 116.57 120.61 2gtl h LYS 18 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2gtl h LYS 18 Cb 0.54 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2gtl h LYS 18 CO 0.02 0.36 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.06 2gtl h LEU 19 N 0.56 -0.28 -1.39 2.94 4.07 -0.60 -3.08 115.31 117.52 2gtl h LEU 19 Ca 0.52 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 58.25 2gtl h LEU 19 Cb 0.85 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 2gtl h LEU 19 CO -0.43 0.19 0.43 1.56 -1.08 0.00 0.00 178.44 179.11 2gtl h GLN 20 N -0.87 0.80 -0.79 1.13 4.20 -0.52 -1.20 115.11 117.87 2gtl h GLN 20 Ca -0.03 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.70 2gtl h GLN 20 Cb 0.51 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 2gtl h GLN 20 CO 0.06 0.53 0.47 2.35 -0.67 0.00 0.00 178.83 181.56 2gtl h TRP 21 N 0.82 0.85 0.12 2.96 -0.00 -0.32 -1.16 115.95 119.23 2gtl h TRP 21 Ca 0.25 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.17 2gtl h TRP 21 Cb -0.01 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 28.84 2gtl h TRP 21 CO -0.00 0.40 -0.44 0.00 -0.00 0.00 0.00 178.44 178.41 2gtl h ALA 22 N 1.40 -0.93 -0.42 2.65 0.00 -1.12 0.10 119.26 120.94 2gtl h ALA 22 Ca 0.36 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2gtl h ALA 22 Cb 0.23 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2gtl h ALA 22 CO -0.20 -1.04 0.16 0.77 0.00 0.00 0.00 179.25 178.95 2gtl h SER 23 N -0.64 0.18 0.78 0.00 0.02 -1.41 -2.16 113.55 110.33 2gtl h SER 23 Ca -0.01 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2gtl h SER 23 Cb 0.63 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2gtl h SER 23 CO -0.23 0.14 -0.38 0.00 -1.14 0.00 0.00 176.83 175.23 2gtl h ALA 24 N 1.26 -1.05 0.18 3.77 0.00 -1.03 -3.34 119.26 119.05 2gtl h ALA 24 Ca 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gtl h ALA 24 Cb 0.16 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2gtl h ALA 24 CO -0.18 -0.99 -0.27 0.35 0.00 0.00 0.00 179.25 178.15 2gtl h PHE 25 N -1.26 -0.78 0.00 0.00 3.57 -0.83 -3.48 116.94 114.16 2gtl h PHE 25 Ca -0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2gtl h PHE 25 Cb 0.81 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2gtl h PHE 25 CO -0.00 -0.34 0.00 0.41 -2.23 0.00 0.00 178.31 176.15 2gtl n GLY 26 N -1.28 -0.77 3.06 2.40 0.00 -0.81 -4.05 105.19 103.73 2gtl n GLY 26 Ca -0.06 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 2gtl n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gtl s HIS 27 N 0.00 0.54 0.00 1.61 3.76 -1.26 -4.86 115.29 115.09 2gtl s HIS 27 Ca 0.00 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 2gtl s HIS 27 Cb 0.00 -0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.34 2gtl s HIS 27 CO 0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 174.74 173.71 2gtl n ALA 28 N 1.02 0.00 -0.28 -1.40 0.00 -1.26 -2.02 120.51 116.58 2gtl n ALA 28 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.33 2gtl n ALA 28 Cb 0.57 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.26 2gtl n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gtl h HIS 29 N 0.00 0.42 -1.74 0.00 -0.00 -2.00 0.43 115.15 112.27 2gtl h HIS 29 Ca 0.00 0.04 0.50 0.00 -0.00 0.00 0.00 60.37 60.92 2gtl h HIS 29 Cb 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 27.28 2gtl h HIS 29 CO 0.00 -0.08 1.28 0.93 -0.00 0.00 0.00 177.93 180.05 2gtl h GLU 30 N 0.31 0.00 0.09 5.26 5.08 -1.75 0.77 114.58 124.35 2gtl h GLU 30 Ca 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2gtl h GLU 30 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2gtl h GLU 30 CO -0.54 0.00 -0.04 0.00 -1.00 0.00 0.00 179.01 177.43 2gtl h ARG 31 N 0.00 -0.11 -0.96 2.33 3.08 -1.01 -2.86 114.38 114.84 2gtl h ARG 31 Ca 0.83 0.01 0.27 0.00 0.07 0.00 0.00 59.98 61.15 2gtl h ARG 31 Cb 3.37 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 33.31 2gtl h ARG 31 CO -0.01 0.22 0.47 0.28 -1.07 0.00 0.00 179.97 179.86 2gtl h VAL 32 N -0.99 0.38 -0.32 2.04 2.07 -0.93 0.88 116.25 119.38 2gtl h VAL 32 Ca -0.01 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2gtl h VAL 32 Cb 0.38 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2gtl h VAL 32 CO 0.02 0.07 0.16 0.00 0.02 0.00 0.00 177.57 177.84 2gtl h ALA 33 N 1.79 0.39 0.90 1.67 0.00 -1.44 0.20 119.26 122.77 2gtl h ALA 33 Ca 0.65 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 2gtl h ALA 33 Cb 1.35 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2gtl h ALA 33 CO -0.58 -0.21 -0.43 0.35 0.00 0.00 0.00 179.25 178.38 2gtl h PHE 34 N 0.34 -1.12 -0.49 0.00 3.04 0.82 -0.89 116.94 118.64 2gtl h PHE 34 Ca 0.13 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.14 2gtl h PHE 34 Cb 0.04 0.37 -0.10 0.00 2.56 0.00 0.00 35.95 38.82 2gtl h PHE 34 CO -0.10 -0.70 -0.37 0.78 -2.02 0.00 0.00 178.31 175.91 2gtl h GLY 35 N -1.22 -0.30 0.21 2.40 0.00 -0.16 -0.34 103.07 103.66 2gtl h GLY 35 Ca -0.12 0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.68 2gtl h GLY 35 CO 0.20 -0.20 -0.53 -2.00 0.00 0.00 0.00 176.54 174.02 2gtl h LEU 36 N -0.24 -1.55 -0.89 3.11 5.85 -0.52 -1.00 115.31 120.06 2gtl h LEU 36 Ca 0.19 0.16 0.23 0.00 0.84 0.00 0.00 57.88 59.29 2gtl h LEU 36 Cb 0.56 0.56 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 2gtl h LEU 36 CO -0.61 -0.58 0.37 -0.08 -0.34 0.00 0.00 178.44 177.19 2gtl h GLU 37 N -0.81 0.35 0.48 1.25 4.81 -0.55 -0.66 114.58 119.45 2gtl h GLU 37 Ca -0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2gtl h GLU 37 Cb 0.79 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2gtl h GLU 37 CO -0.24 0.23 -0.23 1.25 -0.73 0.00 0.00 179.01 179.29 2gtl h LEU 38 N 0.36 -0.55 -1.59 1.64 5.85 -0.25 -2.77 115.31 118.00 2gtl h LEU 38 Ca 0.56 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.43 2gtl h LEU 38 Cb 1.09 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2gtl h LEU 38 CO -0.55 -0.39 0.47 -0.50 -0.34 0.00 0.00 178.44 177.13 2gtl h TRP 39 N -0.66 0.48 0.63 1.25 4.06 -0.83 -1.87 115.95 119.00 2gtl h TRP 39 Ca -0.07 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2gtl h TRP 39 Cb 0.50 -0.15 0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2gtl h TRP 39 CO 0.11 0.20 -0.30 -0.09 -3.56 0.00 0.00 178.44 174.80 2gtl h ARG 40 N 0.43 -0.82 -0.96 0.49 2.43 -1.10 0.75 114.38 115.60 2gtl h ARG 40 Ca 0.34 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.72 2gtl h ARG 40 Cb 0.72 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.37 2gtl h ARG 40 CO -0.10 -0.53 0.61 -0.44 -1.51 0.00 0.00 179.97 178.00 2gtl h ASP 41 N -0.89 0.75 0.10 -3.80 5.19 -1.12 -1.13 116.42 115.51 2gtl h ASP 41 Ca -0.09 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2gtl h ASP 41 Cb 0.66 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2gtl h ASP 41 CO 0.14 0.34 -0.05 0.40 -3.12 0.00 0.00 179.24 176.96 2gtl h ILE 42 N 0.77 1.09 -0.11 0.35 2.04 -0.92 -2.89 117.51 117.83 2gtl h ILE 42 Ca 0.51 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 2gtl h ILE 42 Cb 0.77 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2gtl h ILE 42 CO -0.27 0.18 -0.22 0.40 0.00 0.00 0.00 178.15 178.24 2gtl h ILE 43 N -0.47 1.21 -0.12 -0.67 2.04 -0.38 -1.56 117.51 117.57 2gtl h ILE 43 Ca -0.01 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 2gtl h ILE 43 Cb 0.39 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2gtl h ILE 43 CO 0.02 0.29 -0.46 0.44 0.00 0.00 0.00 178.15 178.44 2gtl h ASP 44 N 0.17 0.31 -0.03 1.72 3.45 -1.23 -1.96 116.42 118.84 2gtl h ASP 44 Ca 0.03 -0.14 -0.25 0.00 0.43 0.00 0.00 57.03 57.10 2gtl h ASP 44 Cb 0.49 -0.09 0.02 0.00 -0.56 0.00 0.00 39.33 39.19 2gtl h ASP 44 CO 0.03 0.73 -0.95 -0.78 -1.57 0.00 0.00 179.24 176.70 2gtl h ASP 45 N 0.23 0.89 -2.40 6.45 3.58 -1.26 -3.40 116.42 120.52 2gtl h ASP 45 Ca 0.02 -0.72 -0.59 0.00 0.42 0.00 0.00 57.03 56.16 2gtl h ASP 45 Cb 0.90 -0.27 -0.39 0.00 1.72 0.00 0.00 39.33 41.30 2gtl h ASP 45 CO 0.07 1.48 -0.93 1.41 -2.88 0.00 0.00 179.24 178.39 2gtl n HIS 46 N -3.91 -0.16 0.00 0.28 8.25 -0.62 -4.97 115.22 114.10 2gtl n HIS 46 Ca -0.10 -3.50 0.00 0.00 -0.26 0.00 0.00 57.72 53.86 2gtl n HIS 46 Cb 0.83 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.98 2gtl n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2gtl n PRO 47 N 2.44 0.00 0.29 -0.41 -0.04 -0.74 -1.72 135.00 134.81 2gtl n PRO 47 Ca 0.27 0.28 0.16 0.00 -0.04 0.00 0.00 63.50 64.17 2gtl n PRO 47 Cb 0.47 -1.56 0.85 0.00 -0.04 0.00 0.00 33.50 33.22 2gtl n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2gtl h GLU 48 N 0.00 0.00 0.00 0.54 3.07 -1.93 -2.66 114.58 113.59 2gtl h GLU 48 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2gtl h GLU 48 Cb 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2gtl h GLU 48 CO 0.00 0.06 -0.46 0.82 -1.40 0.00 0.00 179.01 178.03 2gtl h ILE 49 N 0.00 1.11 0.00 3.13 2.04 -1.69 -3.02 117.51 119.07 2gtl h ILE 49 Ca -0.00 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.14 2gtl h ILE 49 Cb 0.24 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2gtl h ILE 49 CO 0.01 0.45 0.19 0.29 0.00 0.00 0.00 178.15 179.09 2gtl n LYS 50 N -3.66 0.06 0.04 2.37 5.02 -1.00 -3.02 118.16 117.96 2gtl n LYS 50 Ca -0.01 0.49 -0.02 0.00 -2.02 0.00 0.00 58.31 56.76 2gtl n LYS 50 Cb 0.54 -1.89 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2gtl n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gtl h ALA 51 N 1.41 -0.70 0.00 7.82 0.00 -1.74 -3.28 119.26 122.77 2gtl h ALA 51 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gtl h ALA 51 Cb 0.38 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2gtl h ALA 51 CO 0.00 -0.69 -0.01 -1.00 0.00 0.00 0.00 179.25 177.55 2gtl h PRO 52 N -0.14 0.00 -0.86 0.00 0.13 -1.79 -1.54 132.00 127.80 2gtl h PRO 52 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2gtl h PRO 52 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2gtl h PRO 52 CO 0.02 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 178.98 2gtl n PHE 53 N -3.15 0.41 0.04 1.56 0.99 -1.23 -4.04 117.46 112.04 2gtl n PHE 53 Ca -0.02 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.45 57.28 2gtl n PHE 53 Cb 0.14 -0.17 0.29 0.00 -1.00 0.00 0.00 39.48 38.74 2gtl n PHE 53 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2gtl h SER 54 N 0.81 0.39 -0.14 4.37 0.87 -1.34 0.12 113.55 118.64 2gtl h SER 54 Ca 0.00 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 2gtl h SER 54 Cb 0.76 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2gtl h SER 54 CO 0.09 0.56 -0.21 -0.09 -0.53 0.00 0.00 176.83 176.65 2gtl h ARG 55 N 0.38 0.57 -2.04 2.24 1.12 -1.85 -3.20 114.38 111.61 2gtl h ARG 55 Ca 0.07 -0.21 -0.72 0.00 -1.11 0.00 0.00 59.98 58.02 2gtl h ARG 55 Cb 0.46 -0.04 -0.33 0.00 -0.01 0.00 0.00 29.97 30.06 2gtl h ARG 55 CO 0.03 0.75 0.41 1.33 -3.11 0.00 0.00 179.97 179.38 2gtl n VAL 56 N -4.13 4.06 -2.69 0.20 0.24 -1.05 -4.94 118.33 110.01 2gtl n VAL 56 Ca 0.00 -5.17 -0.07 0.00 -2.04 0.00 0.00 64.34 57.05 2gtl n VAL 56 Cb 0.39 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 2gtl n VAL 56 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2gtl n ARG 57 N -0.33 -0.44 0.03 7.34 1.74 -1.21 -3.67 116.66 120.13 2gtl n ARG 57 Ca 0.45 0.23 0.13 0.00 -0.77 0.00 0.00 57.85 57.89 2gtl n ARG 57 Cb 0.35 -0.60 0.54 0.00 -1.02 0.00 0.00 32.46 31.74 2gtl n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gtl n GLY 58 N -0.70 -1.50 0.25 -0.13 0.00 0.00 -3.28 105.19 99.82 2gtl n GLY 58 Ca -0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2gtl n GLY 58 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2gtl h ASP 59 N 0.00 0.93 -4.13 1.61 2.03 -1.85 -3.37 116.42 111.64 2gtl h ASP 59 Ca 0.00 -0.47 -0.69 0.00 -0.73 0.00 0.00 57.03 55.15 2gtl h ASP 59 Cb 0.53 -0.26 -0.36 0.00 -0.83 0.00 0.00 39.33 38.40 2gtl h ASP 59 CO 0.00 1.25 -0.39 0.21 -1.03 0.00 0.00 179.24 179.28 2gtl s ASN 60 N -6.91 5.11 0.42 4.15 3.84 -1.21 -4.94 114.94 115.41 2gtl s ASN 60 Ca -0.10 -2.99 0.29 0.00 0.21 0.00 0.00 52.86 50.27 2gtl s ASN 60 Cb 0.11 -1.82 1.39 0.00 -0.55 0.00 0.00 41.25 40.38 2gtl s ASN 60 CO 0.88 -0.32 1.88 0.16 -2.79 0.00 0.00 177.10 176.91 2gtl h ILE 61 N 5.17 0.00 0.00 -5.21 3.07 -1.74 -1.71 117.51 117.10 2gtl h ILE 61 Ca -0.01 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2gtl h ILE 61 Cb 0.92 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2gtl h ILE 61 CO 0.72 0.00 -0.15 -1.22 -1.05 0.00 0.00 178.15 176.45 2gtl n TYR 62 N -2.59 0.22 -1.34 0.16 4.02 -1.26 -4.19 117.16 112.18 2gtl n TYR 62 Ca -0.00 0.06 -0.33 0.00 -0.01 0.00 0.00 57.90 57.63 2gtl n TYR 62 Cb 0.16 -0.55 0.10 0.00 -0.02 0.00 0.00 39.34 39.03 2gtl n TYR 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2gtl s SER 63 N -3.39 4.23 0.19 7.72 1.04 -0.64 -4.80 113.70 118.05 2gtl s SER 63 Ca 0.12 2.14 -0.06 0.00 0.48 0.00 0.00 55.95 58.63 2gtl s SER 63 Cb 0.17 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.84 2gtl s SER 63 CO 0.59 -2.23 1.59 1.55 0.98 0.00 0.00 173.24 175.72 2gtl h PRO 64 N -0.67 0.83 -0.19 4.02 0.13 -1.90 0.92 132.00 135.15 2gtl h PRO 64 Ca -0.46 -0.36 0.05 0.00 -0.87 0.00 0.00 66.00 64.37 2gtl h PRO 64 Cb 1.27 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2gtl h PRO 64 CO 0.49 0.99 -0.24 0.93 -0.23 0.00 0.00 178.00 179.95 2gtl h GLU 65 N 0.72 -0.27 -0.29 0.86 3.07 -1.91 0.24 114.58 117.00 2gtl h GLU 65 Ca 0.09 0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 2gtl h GLU 65 Cb 0.80 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2gtl h GLU 65 CO 0.07 -0.18 -0.27 0.35 -1.40 0.00 0.00 179.01 177.58 2gtl h PHE 66 N -0.28 0.83 -0.68 4.33 3.57 -1.61 -2.88 116.94 120.22 2gtl h PHE 66 Ca 0.12 -0.24 0.14 0.00 3.53 0.00 0.00 57.97 61.52 2gtl h PHE 66 Cb 0.46 -0.18 -0.11 0.00 2.79 0.00 0.00 35.95 38.92 2gtl h PHE 66 CO -0.37 0.98 0.09 0.78 -2.23 0.00 0.00 178.31 177.56 2gtl h GLY 67 N 0.43 0.84 0.35 2.40 0.00 -0.13 0.42 103.07 107.38 2gtl h GLY 67 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2gtl h GLY 67 CO 0.07 -0.20 -0.45 0.00 0.00 0.00 0.00 176.54 175.95 2gtl h ALA 68 N 1.59 -1.06 -0.52 3.60 0.00 -0.44 -1.54 119.26 120.88 2gtl h ALA 68 Ca 0.37 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2gtl h ALA 68 Cb 0.61 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2gtl h ALA 68 CO -0.52 -1.12 -0.47 1.25 0.00 0.00 0.00 179.25 178.39 2gtl h HIS 69 N -0.83 -1.47 -0.83 0.00 6.17 -0.91 -0.37 115.15 116.91 2gtl h HIS 69 Ca -0.04 0.08 0.14 0.00 0.71 0.00 0.00 60.37 61.26 2gtl h HIS 69 Cb 0.74 0.71 -0.14 0.00 2.52 0.00 0.00 27.41 31.24 2gtl h HIS 69 CO -0.29 -0.37 -0.30 0.45 0.71 0.00 0.00 177.93 178.13 2gtl n SER 70 N -4.89 -0.48 0.11 3.26 2.88 0.13 -0.21 113.62 114.43 2gtl n SER 70 Ca -0.01 1.45 -0.13 0.00 -1.33 0.00 0.00 58.87 58.84 2gtl n SER 70 Cb 0.26 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.28 2gtl n SER 70 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2gtl h GLN 71 N 0.00 -0.21 -0.89 -1.46 5.75 -0.09 -2.32 115.11 115.89 2gtl h GLN 71 Ca 0.32 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 59.04 2gtl h GLN 71 Cb 0.52 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 29.00 2gtl h GLN 71 CO -0.84 -0.09 0.41 0.00 -2.65 0.00 0.00 178.83 175.67 2gtl h ARG 72 N -0.27 0.44 0.16 1.69 3.08 0.53 0.88 114.38 120.89 2gtl h ARG 72 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2gtl h ARG 72 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2gtl h ARG 72 CO 0.04 0.29 -0.08 0.28 -1.07 0.00 0.00 179.97 179.43 2gtl h VAL 73 N 0.45 0.00 -0.94 2.04 2.07 -0.90 -2.13 116.25 116.85 2gtl h VAL 73 Ca 0.55 -0.01 0.28 0.00 0.82 0.00 0.00 66.70 68.34 2gtl h VAL 73 Cb 0.99 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.61 2gtl h VAL 73 CO -0.49 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.33 2gtl h LEU 74 N -0.22 0.06 -0.12 2.57 -0.00 -0.94 0.20 115.31 116.86 2gtl h LEU 74 Ca -0.02 0.22 0.04 0.00 -0.00 0.00 0.00 57.88 58.12 2gtl h LEU 74 Cb 0.16 0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 41.05 2gtl h LEU 74 CO 0.04 -0.23 -0.18 -1.28 -0.00 0.00 0.00 178.44 176.79 2gtl h SER 75 N 0.17 -0.56 -0.81 -0.43 0.87 -0.66 0.32 113.55 112.45 2gtl h SER 75 Ca 0.64 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 61.39 2gtl h SER 75 Cb 1.40 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 63.55 2gtl h SER 75 CO -0.71 -0.23 0.46 1.23 -0.53 0.00 0.00 176.83 177.05 2gtl h GLY 76 N -0.23 1.27 0.95 5.77 0.00 0.04 0.27 103.07 111.13 2gtl h GLY 76 Ca 0.09 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.15 2gtl h GLY 76 CO -0.26 0.11 0.64 -2.00 0.00 0.00 0.00 176.54 175.03 2gtl h LEU 77 N 0.76 1.07 0.07 3.11 5.85 -0.09 -0.44 115.31 125.64 2gtl h LEU 77 Ca 0.40 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.10 2gtl h LEU 77 Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2gtl h LEU 77 CO -0.26 0.74 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.74 2gtl h ASP 78 N 1.24 -0.17 0.12 1.25 1.82 0.30 -1.21 116.42 119.78 2gtl h ASP 78 Ca 0.38 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 57.04 2gtl h ASP 78 Cb -0.03 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2gtl h ASP 78 CO -0.11 -0.10 -0.38 0.40 -1.61 0.00 0.00 179.24 177.44 2gtl h ILE 79 N -0.15 0.00 -0.65 2.25 2.04 -0.04 0.12 117.51 121.08 2gtl h ILE 79 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2gtl h ILE 79 Cb 0.14 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.10 2gtl h ILE 79 CO -0.02 0.00 -0.41 0.71 0.00 0.00 0.00 178.15 178.44 2gtl h THR 80 N -0.57 0.09 -0.86 -0.27 1.35 -1.04 0.29 112.91 111.91 2gtl h THR 80 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.97 2gtl h THR 80 Cb 0.56 0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 67.01 2gtl h THR 80 CO -0.19 0.00 0.55 0.40 -0.25 0.00 0.00 175.52 176.04 2gtl h ILE 81 N -0.17 0.90 0.00 6.82 2.04 -0.74 0.24 117.51 126.61 2gtl h ILE 81 Ca 0.22 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2gtl h ILE 81 Cb 0.56 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2gtl h ILE 81 CO -0.74 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.01 2gtl n SER 82 N -4.53 0.00 -0.10 1.72 3.41 0.94 -2.74 113.62 112.30 2gtl n SER 82 Ca 0.15 -1.32 0.01 0.00 -0.26 0.00 0.00 58.87 57.45 2gtl n SER 82 Cb 0.38 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 2gtl n SER 82 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2gtl n MET 83 N -0.76 0.20 0.20 4.33 2.81 0.84 -4.68 117.12 120.05 2gtl n MET 83 Ca 0.11 -0.87 0.16 0.00 -1.81 0.00 0.00 57.70 55.29 2gtl n MET 83 Cb 0.05 -1.05 0.79 0.00 -0.71 0.00 0.00 33.22 32.30 2gtl n MET 83 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2gtl h LEU 84 N 0.45 0.00 0.08 4.03 4.07 -1.32 -1.69 115.31 120.94 2gtl h LEU 84 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 2gtl h LEU 84 Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2gtl h LEU 84 CO 0.00 0.00 -1.22 -2.24 -1.08 0.00 0.00 178.44 173.90 2gtl h ASP 85 N 0.00 0.26 -3.34 -0.43 2.03 -1.84 -3.42 116.42 109.69 2gtl h ASP 85 Ca 0.09 -0.29 -0.73 0.00 -0.73 0.00 0.00 57.03 55.36 2gtl h ASP 85 Cb 0.42 -0.08 -0.26 0.00 -0.83 0.00 0.00 39.33 38.58 2gtl h ASP 85 CO -0.00 1.23 -0.39 0.42 -1.03 0.00 0.00 179.24 179.47 2gtl s THR 86 N -2.67 4.58 0.16 1.15 -4.23 -0.63 -4.98 115.64 109.02 2gtl s THR 86 Ca -0.03 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 2gtl s THR 86 Cb 0.08 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 70.11 2gtl s THR 86 CO 0.86 -0.62 1.81 1.55 -0.54 0.00 0.00 174.62 177.68 2gtl h PRO 87 N 8.56 0.63 -0.76 3.99 0.13 -1.81 -2.55 132.00 140.18 2gtl h PRO 87 Ca -0.25 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.90 2gtl h PRO 87 Cb 1.09 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.04 2gtl h PRO 87 CO 0.84 0.44 0.50 0.38 -0.23 0.00 0.00 178.00 179.93 2gtl h ASP 88 N 0.63 0.72 0.12 1.44 2.03 -1.94 0.13 116.42 119.56 2gtl h ASP 88 Ca 0.17 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.18 2gtl h ASP 88 Cb -0.04 -0.15 0.03 0.00 -0.83 0.00 0.00 39.33 38.34 2gtl h ASP 88 CO -0.03 0.46 -1.21 0.24 -1.03 0.00 0.00 179.24 177.67 2gtl h MET 89 N 0.81 0.60 0.49 4.15 2.86 -1.88 -3.07 114.93 118.90 2gtl h MET 89 Ca 0.32 -0.81 -0.02 0.00 -2.06 0.00 0.00 59.70 57.13 2gtl h MET 89 Cb 0.23 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2gtl h MET 89 CO -0.11 1.37 -0.24 1.25 1.06 0.00 0.00 176.91 180.24 2gtl h LEU 90 N 0.22 -0.56 -0.99 1.22 5.85 -1.00 0.28 115.31 120.34 2gtl h LEU 90 Ca -0.19 -0.05 0.25 0.00 0.84 0.00 0.00 57.88 58.74 2gtl h LEU 90 Cb 1.89 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.94 2gtl h LEU 90 CO 0.23 -0.29 0.56 0.00 -0.34 0.00 0.00 178.44 178.60 2gtl h ALA 91 N -0.38 1.75 0.09 1.25 0.00 -0.88 0.67 119.26 121.76 2gtl h ALA 91 Ca -0.07 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2gtl h ALA 91 Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2gtl h ALA 91 CO 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.00 2gtl h ALA 92 N 1.74 -0.12 -0.38 0.00 0.00 -1.38 -2.39 119.26 116.73 2gtl h ALA 92 Ca 0.64 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.35 2gtl h ALA 92 Cb 1.25 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2gtl h ALA 92 CO -0.50 -0.28 0.11 0.37 0.00 0.00 0.00 179.25 178.95 2gtl h GLN 93 N -0.70 0.25 -0.01 0.00 5.75 0.88 -0.35 115.11 120.94 2gtl h GLN 93 Ca -0.01 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2gtl h GLN 93 Cb 0.55 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2gtl h GLN 93 CO 0.02 0.17 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.22 2gtl h LEU 94 N 0.26 -0.23 -0.90 -2.39 3.38 0.23 -0.48 115.31 115.19 2gtl h LEU 94 Ca 0.18 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.31 2gtl h LEU 94 Cb 0.17 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2gtl h LEU 94 CO -0.20 -0.11 0.51 0.00 0.09 0.00 0.00 178.44 178.73 2gtl h ALA 95 N 0.86 1.35 -0.91 1.53 0.00 -0.94 0.36 119.26 121.51 2gtl h ALA 95 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gtl h ALA 95 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2gtl h ALA 95 CO -0.09 0.05 0.50 1.25 0.00 0.00 0.00 179.25 180.96 2gtl h HIS 96 N 0.78 1.24 -0.35 0.00 -0.00 -0.06 -2.72 115.15 114.04 2gtl h HIS 96 Ca 0.47 -0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.64 2gtl h HIS 96 Cb 0.56 -0.40 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2gtl h HIS 96 CO -0.05 0.85 -0.44 -0.07 -0.00 0.00 0.00 177.93 178.22 2gtl h LEU 97 N 1.27 0.98 -0.90 0.26 3.38 0.57 -3.10 115.31 117.77 2gtl h LEU 97 Ca 0.32 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2gtl h LEU 97 Cb 0.02 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 2gtl h LEU 97 CO -0.05 1.27 0.52 0.50 0.09 0.00 0.00 178.44 180.77 2gtl h LYS 98 N 0.72 0.80 -0.08 1.13 3.64 -0.76 -1.94 116.57 120.08 2gtl h LYS 98 Ca 0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gtl h LYS 98 Cb 1.04 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2gtl h LYS 98 CO 0.10 0.53 0.05 0.28 -2.27 0.00 0.00 179.45 178.14 2gtl h VAL 99 N 0.82 1.09 0.00 2.00 2.07 -1.44 0.13 116.25 120.92 2gtl h VAL 99 Ca 0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2gtl h VAL 99 Cb 0.50 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2gtl h VAL 99 CO -0.29 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.38 2gtl n GLN 100 N -4.98 0.00 -0.05 1.57 6.02 -0.75 -3.28 117.38 115.91 2gtl n GLN 100 Ca -0.06 0.46 -0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2gtl n GLN 100 Cb 0.07 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 2gtl n GLN 100 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2gtl n HIS 101 N -1.47 0.00 -0.43 1.08 8.25 -0.74 -4.69 115.22 117.22 2gtl n HIS 101 Ca 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.83 2gtl n HIS 101 Cb 0.00 -0.39 0.62 0.00 1.12 0.00 0.00 29.99 31.34 2gtl n HIS 101 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2gtl n VAL 102 N -3.76 -0.23 0.03 1.59 3.14 0.39 -0.85 118.33 118.64 2gtl n VAL 102 Ca -0.19 1.64 0.00 0.00 -2.96 0.00 0.00 64.34 62.84 2gtl n VAL 102 Cb 0.51 -2.69 0.01 0.00 -1.06 0.00 0.00 33.84 30.61 2gtl n VAL 102 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2gtl n GLU 103 N -4.53 0.02 -4.08 1.45 -0.58 -1.24 -4.64 120.64 107.04 2gtl n GLU 103 Ca 0.37 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 57.00 2gtl n GLU 103 Cb 1.43 -1.16 -0.11 0.00 -0.57 0.00 0.00 31.44 31.03 2gtl n GLU 103 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2gtl s ARG 104 N -2.00 0.57 -0.80 3.49 0.52 -0.03 -5.06 118.95 115.64 2gtl s ARG 104 Ca 0.00 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.05 2gtl s ARG 104 Cb 0.00 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.23 2gtl s ARG 104 CO 0.00 0.00 2.18 -0.80 0.02 0.00 0.00 175.30 176.70 2gtl s ASN 105 N -2.03 4.55 -0.31 0.23 0.01 -1.26 -4.88 114.94 111.24 2gtl s ASN 105 Ca -0.04 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 2gtl s ASN 105 Cb -0.05 -2.55 0.09 0.00 0.41 0.00 0.00 41.25 39.15 2gtl s ASN 105 CO -0.02 -3.23 -0.00 -0.76 -1.51 0.00 0.00 177.10 171.58 2gtl s LEU 106 N 12.24 4.25 -0.03 0.60 1.43 -1.26 -4.97 118.68 130.94 2gtl s LEU 106 Ca 0.82 -1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 2gtl s LEU 106 Cb -0.11 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 2gtl s LEU 106 CO 0.06 -0.32 2.02 0.29 0.23 0.00 0.00 176.35 178.63 2gtl n LYS 107 N 4.33 2.62 0.30 1.70 4.01 -1.26 -4.80 118.16 125.06 2gtl n LYS 107 Ca -0.02 0.93 0.09 0.00 -0.51 0.00 0.00 58.31 58.79 2gtl n LYS 107 Cb 0.42 -3.02 0.47 0.00 -0.51 0.00 0.00 35.03 32.40 2gtl n LYS 107 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2gtl h PRO 108 N 11.34 0.00 0.00 1.97 0.13 -1.97 0.55 132.00 144.02 2gtl h PRO 108 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2gtl h PRO 108 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2gtl h PRO 108 CO 0.95 0.00 -0.14 1.05 -0.23 0.00 0.00 178.00 179.62 2gtl h GLU 109 N 0.00 0.00 -0.62 0.86 4.11 -2.01 -3.18 114.58 113.75 2gtl h GLU 109 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2gtl h GLU 109 Cb 1.09 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 2gtl h GLU 109 CO 0.00 0.14 0.27 0.74 0.07 0.00 0.00 179.01 180.23 2gtl h PHE 110 N 0.00 0.48 -0.68 2.06 0.05 -0.24 -1.07 116.94 117.55 2gtl h PHE 110 Ca -0.00 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.74 2gtl h PHE 110 Cb 0.78 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 38.58 2gtl h PHE 110 CO 0.00 0.17 0.12 0.74 -0.18 0.00 0.00 178.31 179.16 2gtl h PHE 111 N 0.49 1.18 -0.01 -0.55 -1.00 -1.72 0.16 116.94 115.48 2gtl h PHE 111 Ca 0.30 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2gtl h PHE 111 Cb 0.32 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 2gtl h PHE 111 CO -0.14 0.98 0.01 -0.44 -1.61 0.00 0.00 178.31 177.11 2gtl h ASP 112 N 1.04 0.00 0.11 2.17 3.45 -1.33 0.39 116.42 122.25 2gtl h ASP 112 Ca 0.21 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.66 2gtl h ASP 112 Cb 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 2gtl h ASP 112 CO 0.01 0.00 -0.05 0.40 -1.57 0.00 0.00 179.24 178.03 2gtl h ILE 113 N 0.00 0.76 -0.70 0.35 2.04 -0.04 -2.58 117.51 117.34 2gtl h ILE 113 Ca 0.00 -1.30 0.13 0.00 1.00 0.00 0.00 64.86 64.70 2gtl h ILE 113 Cb 0.02 1.36 -0.13 0.00 -0.74 0.00 0.00 36.82 37.33 2gtl h ILE 113 CO -0.00 0.23 -0.25 0.15 0.00 0.00 0.00 178.15 178.28 2gtl h PHE 114 N -0.95 -0.61 -0.32 1.37 3.57 -0.06 0.12 116.94 120.06 2gtl h PHE 114 Ca -0.01 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2gtl h PHE 114 Cb 0.48 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2gtl h PHE 114 CO 0.10 -0.35 0.10 1.25 -2.23 0.00 0.00 178.31 177.18 2gtl h LEU 115 N -0.06 0.09 -0.55 0.59 5.85 -1.03 -0.05 115.31 120.15 2gtl h LEU 115 Ca 0.31 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.18 2gtl h LEU 115 Cb 0.55 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 2gtl h LEU 115 CO -0.75 0.09 -0.25 0.50 -0.34 0.00 0.00 178.44 177.69 2gtl h LYS 116 N 0.23 -0.11 -0.10 1.25 3.64 -0.37 -1.78 116.57 119.32 2gtl h LYS 116 Ca 0.14 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2gtl h LYS 116 Cb 0.13 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2gtl h LYS 116 CO -0.16 -0.07 -0.12 0.45 -2.27 0.00 0.00 179.45 177.28 2gtl h HIS 117 N -0.11 0.32 -1.05 1.91 3.86 -0.94 -2.00 115.15 117.14 2gtl h HIS 117 Ca 0.25 -0.10 0.29 0.00 -1.16 0.00 0.00 60.37 59.65 2gtl h HIS 117 Cb 0.51 -0.07 -0.12 0.00 1.06 0.00 0.00 27.41 28.79 2gtl h HIS 117 CO -0.55 0.70 0.65 1.25 0.86 0.00 0.00 177.93 180.84 2gtl h LEU 118 N -0.15 0.51 -0.05 2.43 5.85 -0.60 0.52 115.31 123.82 2gtl h LEU 118 Ca 0.01 0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.67 2gtl h LEU 118 Cb 0.65 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.76 2gtl h LEU 118 CO 0.03 0.01 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.32 2gtl h LEU 119 N 0.40 0.74 -0.21 2.25 3.38 -1.25 -1.76 115.31 118.86 2gtl h LEU 119 Ca 0.67 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2gtl h LEU 119 Cb 1.59 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 2gtl h LEU 119 CO -0.44 1.34 -0.03 -0.74 0.09 0.00 0.00 178.44 178.67 2gtl h HIS 120 N 0.21 -0.06 0.45 1.13 2.76 0.43 0.13 115.15 120.20 2gtl h HIS 120 Ca -0.08 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 2gtl h HIS 120 Cb 1.41 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.43 2gtl h HIS 120 CO 0.12 -0.06 -0.22 0.28 -1.30 0.00 0.00 177.93 176.75 2gtl h VAL 121 N 0.03 0.55 -0.74 5.26 2.07 -0.21 -2.15 116.25 121.05 2gtl h VAL 121 Ca 0.10 -0.14 0.17 0.00 0.82 0.00 0.00 66.70 67.65 2gtl h VAL 121 Cb 0.14 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2gtl h VAL 121 CO -0.19 0.03 0.51 -0.07 0.02 0.00 0.00 177.57 177.86 2gtl h LEU 122 N -0.69 0.27 -0.25 2.57 3.38 -1.17 0.17 115.31 119.58 2gtl h LEU 122 Ca -0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2gtl h LEU 122 Cb 0.51 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2gtl h LEU 122 CO 0.10 0.13 -0.01 1.23 0.09 0.00 0.00 178.44 179.98 2gtl h GLY 123 N 0.28 0.23 0.88 0.83 0.00 -0.10 0.34 103.07 105.53 2gtl h GLY 123 Ca 0.37 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 2gtl h GLY 123 CO -0.09 -0.06 -0.27 -0.55 0.00 0.00 0.00 176.54 175.57 2gtl h ASP 124 N 0.07 -0.64 -0.30 0.19 3.45 -0.34 0.12 116.42 118.96 2gtl h ASP 124 Ca 0.12 -0.03 0.07 0.00 0.43 0.00 0.00 57.03 57.62 2gtl h ASP 124 Cb 0.16 0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 39.02 2gtl h ASP 124 CO -0.21 -0.37 -0.19 0.03 -1.57 0.00 0.00 179.24 176.93 2gtl h ARG 125 N -0.88 -0.15 0.00 3.56 2.47 -0.97 -3.06 114.38 115.35 2gtl h ARG 125 Ca -0.08 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.50 2gtl h ARG 125 Cb 0.63 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2gtl h ARG 125 CO 0.13 -0.10 -0.84 -0.07 0.56 0.00 0.00 179.97 179.64 2gtl h LEU 126 N -0.16 0.00 0.00 3.04 3.38 -0.37 -3.48 115.31 117.73 2gtl h LEU 126 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2gtl h LEU 126 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2gtl h LEU 126 CO -0.40 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2gtl n GLY 127 N 1.30 0.38 0.16 0.83 0.00 0.41 -4.01 105.19 104.28 2gtl n GLY 127 Ca -0.01 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.84 2gtl n GLY 127 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gtl h THR 128 N 0.00 0.00 0.00 2.61 1.35 -1.93 -3.21 112.91 111.73 2gtl h THR 128 Ca 0.00 -0.80 -0.07 0.00 -0.55 0.00 0.00 66.41 64.99 2gtl h THR 128 Cb 0.00 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2gtl h THR 128 CO 0.00 0.00 -0.33 0.45 -0.25 0.00 0.00 175.52 175.39 2gtl h HIS 129 N 0.00 0.00 -0.55 4.73 -0.00 -1.95 -3.45 115.15 113.93 2gtl h HIS 129 Ca 0.00 0.00 -0.79 0.00 -0.00 0.00 0.00 60.37 59.58 2gtl h HIS 129 Cb 0.90 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 2gtl h HIS 129 CO 0.00 0.33 1.10 0.34 -0.00 0.00 0.00 177.93 179.69 2gtl n PHE 130 N -3.71 1.47 -2.66 2.45 7.35 -1.21 -4.81 117.46 116.34 2gtl n PHE 130 Ca -0.01 0.82 -0.43 0.00 -0.76 0.00 0.00 57.45 57.07 2gtl n PHE 130 Cb 0.43 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 37.95 2gtl n PHE 130 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2gtl n ASP 131 N 6.46 4.99 -0.17 -2.13 4.64 -1.26 -4.82 116.55 124.26 2gtl n ASP 131 Ca 0.44 -2.94 -0.07 0.00 -1.38 0.00 0.00 54.79 50.83 2gtl n ASP 131 Cb -0.00 -1.67 -0.02 0.00 -1.04 0.00 0.00 41.12 38.39 2gtl n ASP 131 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2gtl h PHE 132 N 7.25 -1.07 -0.41 -0.67 3.04 -1.95 -1.78 116.94 121.34 2gtl h PHE 132 Ca 0.41 0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.47 2gtl h PHE 132 Cb 0.85 0.54 -0.07 0.00 2.56 0.00 0.00 35.95 39.84 2gtl h PHE 132 CO 1.30 -0.40 -0.42 0.78 -2.02 0.00 0.00 178.31 177.55 2gtl h GLY 133 N -0.23 -1.29 -0.07 2.40 0.00 -2.00 0.94 103.07 102.83 2gtl h GLY 133 Ca 0.19 0.79 0.12 0.00 0.00 0.00 0.00 47.33 48.43 2gtl h GLY 133 CO -0.63 -0.28 -0.04 0.00 0.00 0.00 0.00 176.54 175.59 2gtl h ALA 134 N -0.26 0.53 0.50 3.60 0.00 -1.68 -0.92 119.26 121.04 2gtl h ALA 134 Ca 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2gtl h ALA 134 Cb 0.40 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2gtl h ALA 134 CO -0.50 -0.41 -0.24 -1.49 0.00 0.00 0.00 179.25 176.61 2gtl h TRP 135 N 0.08 -0.62 -0.34 0.00 4.06 -0.51 0.89 115.95 119.51 2gtl h TRP 135 Ca 0.31 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.31 2gtl h TRP 135 Cb 0.49 0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.77 2gtl h TRP 135 CO -0.39 -0.33 -0.32 1.25 -3.56 0.00 0.00 178.44 175.09 2gtl h HIS 136 N -0.80 -0.89 -0.97 0.49 2.76 -0.42 1.19 115.15 116.50 2gtl h HIS 136 Ca -0.07 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 2gtl h HIS 136 Cb 0.57 0.44 -0.06 0.00 1.55 0.00 0.00 27.41 29.91 2gtl h HIS 136 CO -0.01 -0.38 0.63 -0.44 -1.30 0.00 0.00 177.93 176.43 2gtl h ASP 137 N -0.28 1.03 0.05 3.26 3.45 -1.15 -2.36 116.42 120.41 2gtl h ASP 137 Ca 0.15 -0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.44 2gtl h ASP 137 Cb 0.54 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 2gtl h ASP 137 CO -0.49 0.69 -0.89 0.00 -1.57 0.00 0.00 179.24 176.97 2gtl h VAL 139 N -0.72 1.28 0.08 0.00 2.07 0.12 -2.93 116.25 116.15 2gtl h VAL 139 Ca -0.21 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 65.98 2gtl h VAL 139 Cb 1.39 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.71 2gtl h VAL 139 CO -0.03 0.40 -0.42 -0.78 0.02 0.00 0.00 177.57 176.76 2gtl h ASP 140 N 0.17 -1.25 -0.75 0.57 1.82 -1.54 0.96 116.42 116.40 2gtl h ASP 140 Ca 0.02 0.14 0.22 0.00 -0.39 0.00 0.00 57.03 57.02 2gtl h ASP 140 Cb 0.71 0.48 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 2gtl h ASP 140 CO 0.05 -0.48 0.77 -0.61 -1.61 0.00 0.00 179.24 177.37 2gtl h GLN 141 N -0.63 0.00 0.09 0.28 4.15 -1.59 0.49 115.11 117.90 2gtl h GLN 141 Ca 0.03 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.17 2gtl h GLN 141 Cb 0.67 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2gtl h GLN 141 CO -0.26 0.00 -1.37 0.82 -1.93 0.00 0.00 178.83 176.08 2gtl h ILE 142 N 0.00 1.32 0.14 2.39 2.04 -0.84 -3.26 117.51 119.30 2gtl h ILE 142 Ca 0.36 -2.97 -0.01 0.00 1.00 0.00 0.00 64.86 63.24 2gtl h ILE 142 Cb 1.90 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.79 2gtl h ILE 142 CO -0.00 0.84 -0.07 0.40 0.00 0.00 0.00 178.15 179.32 2gtl h ILE 143 N 0.05 1.01 -0.87 -0.67 2.04 0.11 -3.18 117.51 116.00 2gtl h ILE 143 Ca -0.18 -1.04 0.24 0.00 1.00 0.00 0.00 64.86 64.88 2gtl h ILE 143 Cb 1.96 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 39.61 2gtl h ILE 143 CO 0.16 0.23 0.61 0.44 0.00 0.00 0.00 178.15 179.60 2gtl h ASP 144 N -0.72 0.09 0.21 1.72 3.32 -1.51 1.07 116.42 120.60 2gtl h ASP 144 Ca -0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2gtl h ASP 144 Cb 0.52 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2gtl h ASP 144 CO 0.03 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 2gtl n GLY 145 N -1.66 -0.79 0.00 2.75 0.00 -1.20 -3.44 105.19 100.85 2gtl n GLY 145 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2gtl n GLY 145 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gtl n ILE 146 N -1.17 0.00 0.00 -0.61 5.41 0.32 -4.30 119.36 119.02 2gtl n ILE 146 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2gtl n ILE 146 Cb 0.12 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 2gtl n ILE 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72