#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 4.74 0.00 -0.09 0.00 -0.00 -1.26 -4.88 117.00 115.51 2gtl n LEU 10 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.77 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 0.43 0.00 -0.19 0.58 -0.00 0.00 0.00 177.39 178.21 2gtl h VAL 11 N 0.00 1.24 -0.02 1.47 2.07 -1.97 -3.35 116.25 115.68 2gtl h VAL 11 Ca 0.00 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 2gtl h VAL 11 Cb 0.00 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2gtl h VAL 11 CO 0.00 0.43 -0.07 0.71 0.02 0.00 0.00 177.57 178.66 2gtl h THR 12 N -0.98 1.47 0.00 2.57 1.35 -2.00 -2.89 112.91 112.44 2gtl h THR 12 Ca -0.22 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 2gtl h THR 12 Cb 1.21 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 2gtl h THR 12 CO -0.13 0.40 0.38 -0.33 -0.25 0.00 0.00 175.52 175.59 2gtl h GLU 13 N -0.48 0.00 0.00 4.72 5.08 -1.94 -0.07 114.58 121.88 2gtl h GLU 13 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gtl h GLU 13 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2gtl h GLU 13 CO 0.02 0.00 -0.31 -1.13 -1.00 0.00 0.00 179.01 176.58 2gtl n SER 14 N -2.24 1.12 -0.33 1.42 3.41 -1.16 -3.68 113.62 112.15 2gtl n SER 14 Ca -0.01 0.49 0.31 0.00 -0.26 0.00 0.00 58.87 59.40 2gtl n SER 14 Cb 0.40 -0.73 0.57 0.00 -0.26 0.00 0.00 64.21 64.19 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 -0.62 0.36 -0.29 1.04 5.85 -1.09 1.95 115.31 122.50 2gtl h LEU 15 Ca 0.00 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2gtl h LEU 15 Cb 0.31 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2gtl h LEU 15 CO 0.00 -0.35 0.18 0.50 -0.34 0.00 0.00 178.44 178.42 2gtl h LYS 16 N 0.08 0.35 -0.12 1.25 1.63 -1.22 0.23 116.57 118.77 2gtl h LYS 16 Ca 0.82 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.55 2gtl h LYS 16 Cb 2.16 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 33.71 2gtl h LYS 16 CO -0.71 0.23 -0.15 0.28 -3.45 0.00 0.00 179.45 175.66 2gtl h VAL 17 N 0.36 1.36 -0.88 2.00 2.07 0.27 -0.60 116.25 120.84 2gtl h VAL 17 Ca 0.11 -1.34 0.17 0.00 0.82 0.00 0.00 66.70 66.46 2gtl h VAL 17 Cb -0.02 1.96 -0.10 0.00 -1.52 0.00 0.00 31.29 31.61 2gtl h VAL 17 CO -0.04 0.39 0.45 0.11 0.02 0.00 0.00 177.57 178.50 2gtl h LYS 18 N -0.09 0.58 0.33 1.57 1.57 0.25 0.35 116.57 121.13 2gtl h LYS 18 Ca 0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2gtl h LYS 18 Cb 0.69 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2gtl h LYS 18 CO 0.04 0.38 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.07 2gtl h LEU 19 N 0.59 -0.38 -1.39 2.94 4.07 -0.42 -3.09 115.31 117.63 2gtl h LEU 19 Ca 0.50 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 58.32 2gtl h LEU 19 Cb 0.77 0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.57 2gtl h LEU 19 CO -0.40 0.06 0.44 1.56 -1.08 0.00 0.00 178.44 179.02 2gtl h GLN 20 N -0.93 0.78 -0.87 1.13 4.20 -0.68 -0.88 115.11 117.86 2gtl h GLN 20 Ca -0.05 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.69 2gtl h GLN 20 Cb 0.52 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.06 2gtl h GLN 20 CO 0.08 0.52 0.53 2.35 -0.67 0.00 0.00 178.83 181.63 2gtl h TRP 21 N 0.80 0.97 0.15 2.96 -0.00 -0.37 -1.23 115.95 119.23 2gtl h TRP 21 Ca 0.26 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.19 2gtl h TRP 21 Cb 0.06 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 2gtl h TRP 21 CO -0.00 0.46 -0.40 0.00 -0.00 0.00 0.00 178.44 178.50 2gtl h ALA 22 N 1.43 -0.93 -0.44 2.65 0.00 -1.07 1.00 119.26 121.90 2gtl h ALA 22 Ca 0.39 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2gtl h ALA 22 Cb 0.25 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2gtl h ALA 22 CO -0.20 -1.01 0.13 0.77 0.00 0.00 0.00 179.25 178.94 2gtl h SER 23 N -0.61 0.11 0.67 0.00 0.02 -1.40 -2.16 113.55 110.19 2gtl h SER 23 Ca -0.01 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2gtl h SER 23 Cb 0.60 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2gtl h SER 23 CO -0.18 0.10 -0.32 0.00 -1.14 0.00 0.00 176.83 175.28 2gtl h ALA 24 N 1.30 -0.91 0.23 3.77 0.00 -1.05 -3.33 119.26 119.27 2gtl h ALA 24 Ca 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gtl h ALA 24 Cb 0.22 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2gtl h ALA 24 CO -0.23 -0.89 -0.30 0.35 0.00 0.00 0.00 179.25 178.18 2gtl h PHE 25 N -1.14 -0.85 0.00 0.00 3.57 -0.83 -3.48 116.94 114.20 2gtl h PHE 25 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2gtl h PHE 25 Cb 0.73 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2gtl h PHE 25 CO 0.00 -0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.11 2gtl n GLY 26 N -1.32 -0.72 3.05 2.40 0.00 -0.81 -4.02 105.19 103.77 2gtl n GLY 26 Ca -0.06 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.52 0.00 1.61 3.76 -1.26 -4.86 115.29 115.06 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 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.36 2gtl s HIS 27 CO 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 174.74 173.70 2gtl n ALA 28 N 1.04 0.00 -0.29 -1.40 0.00 -1.26 -2.05 120.51 116.55 2gtl n ALA 28 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.35 2gtl n ALA 28 Cb 0.57 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.29 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 0.53 -1.70 0.00 -0.00 -2.00 -0.26 115.15 111.73 2gtl h HIS 29 Ca 0.00 0.04 0.50 0.00 -0.00 0.00 0.00 60.37 60.91 2gtl h HIS 29 Cb 0.00 -0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.24 2gtl h HIS 29 CO 0.00 -0.06 1.22 0.93 -0.00 0.00 0.00 177.93 180.01 2gtl h GLU 30 N 0.36 0.01 0.18 5.26 5.08 -1.76 0.02 114.58 123.73 2gtl h GLU 30 Ca 0.52 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 2gtl h GLU 30 Cb 0.97 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2gtl h GLU 30 CO -0.53 0.01 -0.09 0.00 -1.00 0.00 0.00 179.01 177.40 2gtl h ARG 31 N 0.01 -0.23 -0.96 2.33 3.08 -1.15 -2.82 114.38 114.63 2gtl h ARG 31 Ca 0.82 0.02 0.29 0.00 0.07 0.00 0.00 59.98 61.17 2gtl h ARG 31 Cb 3.24 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 33.20 2gtl h ARG 31 CO -0.04 -0.03 0.47 0.28 -1.07 0.00 0.00 179.97 179.59 2gtl h VAL 32 N -1.03 0.33 -0.35 2.04 2.07 -1.09 1.01 116.25 119.23 2gtl h VAL 32 Ca -0.02 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2gtl h VAL 32 Cb 0.31 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2gtl h VAL 32 CO 0.04 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.89 2gtl h ALA 33 N 1.82 0.44 0.87 1.67 0.00 -1.41 0.10 119.26 122.75 2gtl h ALA 33 Ca 0.67 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 2gtl h ALA 33 Cb 1.45 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2gtl h ALA 33 CO -0.61 -0.15 -0.42 0.35 0.00 0.00 0.00 179.25 178.42 2gtl h PHE 34 N 0.41 -1.09 -0.63 0.00 3.04 0.11 -0.74 116.94 118.05 2gtl h PHE 34 Ca 0.14 -0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.17 2gtl h PHE 34 Cb 0.01 0.36 -0.12 0.00 2.56 0.00 0.00 35.95 38.77 2gtl h PHE 34 CO -0.08 -0.67 -0.37 0.78 -2.02 0.00 0.00 178.31 175.95 2gtl h GLY 35 N -1.17 -0.19 0.29 2.40 0.00 -0.32 -0.22 103.07 103.87 2gtl h GLY 35 Ca -0.12 0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.70 2gtl h GLY 35 CO 0.19 -0.19 -0.48 -2.00 0.00 0.00 0.00 176.54 174.06 2gtl h LEU 36 N -0.16 -1.39 -0.87 3.11 5.85 -0.70 -0.86 115.31 120.28 2gtl h LEU 36 Ca 0.23 0.14 0.20 0.00 0.84 0.00 0.00 57.88 59.29 2gtl h LEU 36 Cb 0.56 0.50 -0.12 0.00 0.37 0.00 0.00 40.66 41.97 2gtl h LEU 36 CO -0.72 -0.56 0.36 -0.08 -0.34 0.00 0.00 178.44 177.11 2gtl h GLU 37 N -0.78 0.39 0.48 1.25 4.81 -0.34 -0.78 114.58 119.62 2gtl h GLU 37 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2gtl h GLU 37 Cb 0.76 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2gtl h GLU 37 CO -0.21 0.26 -0.23 1.25 -0.73 0.00 0.00 179.01 179.35 2gtl h LEU 38 N 0.40 -0.55 -1.53 1.64 5.85 -0.12 -2.71 115.31 118.29 2gtl h LEU 38 Ca 0.53 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.40 2gtl h LEU 38 Cb 0.97 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2gtl h LEU 38 CO -0.51 -0.39 0.50 -0.50 -0.34 0.00 0.00 178.44 177.20 2gtl h TRP 39 N -0.66 0.54 0.67 1.25 4.06 -0.87 -1.80 115.95 119.13 2gtl h TRP 39 Ca -0.07 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2gtl h TRP 39 Cb 0.50 -0.17 0.01 0.00 -1.00 0.00 0.00 29.16 28.49 2gtl h TRP 39 CO 0.11 0.22 -0.32 -0.09 -3.56 0.00 0.00 178.44 174.80 2gtl h ARG 40 N 0.47 -0.86 -0.95 0.49 2.43 -1.11 0.96 114.38 115.81 2gtl h ARG 40 Ca 0.37 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.76 2gtl h ARG 40 Cb 0.76 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.42 2gtl h ARG 40 CO -0.12 -0.57 0.60 -0.44 -1.51 0.00 0.00 179.97 177.93 2gtl h ASP 41 N -0.92 0.69 0.07 -3.80 5.19 -1.09 -1.10 116.42 115.46 2gtl h ASP 41 Ca -0.09 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2gtl h ASP 41 Cb 0.69 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2gtl h ASP 41 CO 0.15 0.31 -0.03 0.40 -3.12 0.00 0.00 179.24 176.95 2gtl h ILE 42 N 0.71 1.15 -0.04 0.35 2.04 -0.89 -2.93 117.51 117.90 2gtl h ILE 42 Ca 0.50 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2gtl h ILE 42 Cb 0.82 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2gtl h ILE 42 CO -0.26 0.20 -0.29 0.40 0.00 0.00 0.00 178.15 178.21 2gtl h ILE 43 N -0.47 1.22 -0.08 -0.67 2.04 -0.32 -1.68 117.51 117.55 2gtl h ILE 43 Ca -0.01 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 2gtl h ILE 43 Cb 0.40 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2gtl h ILE 43 CO 0.02 0.31 -0.50 0.44 0.00 0.00 0.00 178.15 178.42 2gtl h ASP 44 N 0.07 0.24 -0.00 1.72 3.45 -1.24 -2.13 116.42 118.52 2gtl h ASP 44 Ca 0.01 -0.11 -0.25 0.00 0.43 0.00 0.00 57.03 57.11 2gtl h ASP 44 Cb 0.54 -0.07 0.02 0.00 -0.56 0.00 0.00 39.33 39.27 2gtl h ASP 44 CO 0.04 0.70 -0.96 -0.78 -1.57 0.00 0.00 179.24 176.67 2gtl h ASP 45 N 0.17 0.85 -2.38 6.45 3.58 -1.28 -3.40 116.42 120.41 2gtl h ASP 45 Ca 0.01 -0.74 -0.59 0.00 0.42 0.00 0.00 57.03 56.13 2gtl h ASP 45 Cb 0.94 -0.26 -0.39 0.00 1.72 0.00 0.00 39.33 41.34 2gtl h ASP 45 CO 0.08 1.48 -0.93 1.41 -2.88 0.00 0.00 179.24 178.39 2gtl n HIS 46 N -3.92 -0.08 0.00 0.28 8.25 -0.66 -4.97 115.22 114.12 2gtl n HIS 46 Ca -0.11 -3.52 0.00 0.00 -0.26 0.00 0.00 57.72 53.83 2gtl n HIS 46 Cb 0.84 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 2.36 0.00 0.28 -0.41 -0.04 -0.80 -1.67 135.00 134.71 2gtl n PRO 47 Ca 0.27 0.25 0.15 0.00 -0.04 0.00 0.00 63.50 64.13 2gtl n PRO 47 Cb 0.47 -1.58 0.81 0.00 -0.04 0.00 0.00 33.50 33.17 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 -2.58 114.58 113.68 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 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2gtl h GLU 48 CO 0.00 0.08 -0.46 0.82 -1.40 0.00 0.00 179.01 178.05 2gtl h ILE 49 N 0.00 1.11 0.00 3.13 2.04 -1.68 -3.02 117.51 119.10 2gtl h ILE 49 Ca -0.00 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2gtl h ILE 49 Cb 0.26 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2gtl h ILE 49 CO 0.01 0.45 0.22 0.29 0.00 0.00 0.00 178.15 179.12 2gtl n LYS 50 N -3.68 0.07 0.06 2.37 5.02 -0.97 -2.92 118.16 118.10 2gtl n LYS 50 Ca -0.01 0.52 -0.02 0.00 -2.02 0.00 0.00 58.31 56.78 2gtl n LYS 50 Cb 0.53 -1.96 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.34 -0.74 0.00 7.82 0.00 -1.74 -3.28 119.26 122.66 2gtl h ALA 51 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gtl h ALA 51 Cb 0.45 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2gtl h ALA 51 CO 0.00 -0.73 -0.01 -1.00 0.00 0.00 0.00 179.25 177.51 2gtl h PRO 52 N -0.20 0.00 -0.91 0.00 0.13 -1.78 -1.52 132.00 127.72 2gtl h PRO 52 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2gtl h PRO 52 Cb 0.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.24 2gtl h PRO 52 CO 0.03 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.00 2gtl n PHE 53 N -3.17 0.48 0.04 1.56 0.99 -1.23 -4.03 117.46 112.11 2gtl n PHE 53 Ca -0.02 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.45 57.24 2gtl n PHE 53 Cb 0.14 -0.20 0.28 0.00 -1.00 0.00 0.00 39.48 38.70 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 0.88 0.41 -0.15 4.37 0.87 -1.33 -0.28 113.55 118.32 2gtl h SER 54 Ca 0.00 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 2gtl h SER 54 Cb 0.85 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2gtl h SER 54 CO 0.12 0.58 -0.18 -0.09 -0.53 0.00 0.00 176.83 176.72 2gtl h ARG 55 N 0.39 0.56 -2.04 2.24 1.12 -1.85 -3.22 114.38 111.59 2gtl h ARG 55 Ca 0.07 -0.19 -0.71 0.00 -1.11 0.00 0.00 59.98 58.04 2gtl h ARG 55 Cb 0.48 -0.04 -0.33 0.00 -0.01 0.00 0.00 29.97 30.07 2gtl h ARG 55 CO 0.03 0.72 0.39 1.33 -3.11 0.00 0.00 179.97 179.33 2gtl n VAL 56 N -4.15 4.03 -2.63 0.20 0.24 -1.06 -4.95 118.33 110.01 2gtl n VAL 56 Ca 0.00 -5.18 -0.07 0.00 -2.04 0.00 0.00 64.34 57.05 2gtl n VAL 56 Cb 0.37 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 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 -0.41 0.04 7.34 1.74 -1.21 -3.65 116.66 120.18 2gtl n ARG 57 Ca 0.45 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.87 2gtl n ARG 57 Cb 0.35 -0.55 0.53 0.00 -1.02 0.00 0.00 32.46 31.78 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 -0.66 -1.52 0.26 -0.13 0.00 -0.14 -3.24 105.19 99.75 2gtl n GLY 58 Ca -0.07 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.98 -4.20 1.61 2.03 -1.85 -3.37 116.42 111.62 2gtl h ASP 59 Ca 0.00 -0.47 -0.69 0.00 -0.73 0.00 0.00 57.03 55.14 2gtl h ASP 59 Cb 0.55 -0.28 -0.36 0.00 -0.83 0.00 0.00 39.33 38.41 2gtl h ASP 59 CO 0.00 1.27 -0.40 0.21 -1.03 0.00 0.00 179.24 179.29 2gtl s ASN 60 N -6.87 5.10 0.39 4.15 3.84 -1.20 -4.94 114.94 115.40 2gtl s ASN 60 Ca -0.11 -2.92 0.28 0.00 0.21 0.00 0.00 52.86 50.32 2gtl s ASN 60 Cb 0.11 -1.82 1.32 0.00 -0.55 0.00 0.00 41.25 40.31 2gtl s ASN 60 CO 0.88 -0.34 1.84 0.16 -2.79 0.00 0.00 177.10 176.86 2gtl h ILE 61 N 5.26 0.00 0.00 -5.21 3.07 -1.73 -1.82 117.51 117.08 2gtl h ILE 61 Ca -0.02 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2gtl h ILE 61 Cb 0.94 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 2gtl h ILE 61 CO 0.71 0.00 -0.20 -1.22 -1.05 0.00 0.00 178.15 176.39 2gtl n TYR 62 N -2.52 0.25 -1.30 0.16 4.02 -1.26 -4.21 117.16 112.30 2gtl n TYR 62 Ca 0.00 0.07 -0.33 0.00 -0.01 0.00 0.00 57.90 57.64 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 -3.45 4.17 0.19 7.72 1.04 -0.68 -4.81 113.70 117.88 2gtl s SER 63 Ca 0.12 2.12 -0.07 0.00 0.48 0.00 0.00 55.95 58.60 2gtl s SER 63 Cb 0.17 -2.56 0.10 0.00 0.10 0.00 0.00 66.02 63.83 2gtl s SER 63 CO 0.61 -2.27 1.58 1.55 0.98 0.00 0.00 173.24 175.69 2gtl h PRO 64 N -0.77 0.87 -0.18 4.02 0.13 -1.90 0.11 132.00 134.27 2gtl h PRO 64 Ca -0.45 -0.37 0.05 0.00 -0.87 0.00 0.00 66.00 64.36 2gtl h PRO 64 Cb 1.26 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2gtl h PRO 64 CO 0.49 1.01 -0.23 0.93 -0.23 0.00 0.00 178.00 179.97 2gtl h GLU 65 N 0.74 -0.26 -0.31 0.86 3.07 -1.92 0.29 114.58 117.06 2gtl h GLU 65 Ca 0.09 0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.84 2gtl h GLU 65 Cb 0.79 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2gtl h GLU 65 CO 0.07 -0.17 -0.33 0.35 -1.40 0.00 0.00 179.01 177.53 2gtl h PHE 66 N -0.27 0.93 -0.62 4.33 3.57 -1.60 -2.93 116.94 120.34 2gtl h PHE 66 Ca 0.12 -0.28 0.13 0.00 3.53 0.00 0.00 57.97 61.46 2gtl h PHE 66 Cb 0.45 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.90 2gtl h PHE 66 CO -0.36 1.05 0.08 0.78 -2.23 0.00 0.00 178.31 177.63 2gtl h GLY 67 N 0.53 0.74 0.31 2.40 0.00 -0.06 0.40 103.07 107.39 2gtl h GLY 67 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2gtl h GLY 67 CO 0.08 -0.16 -0.46 0.00 0.00 0.00 0.00 176.54 176.00 2gtl h ALA 68 N 1.53 -1.05 -0.56 3.60 0.00 -0.37 -1.72 119.26 120.70 2gtl h ALA 68 Ca 0.33 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2gtl h ALA 68 Cb 0.52 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2gtl h ALA 68 CO -0.47 -1.11 -0.49 1.25 0.00 0.00 0.00 179.25 178.44 2gtl h HIS 69 N -0.80 -1.52 -0.83 0.00 6.17 -0.90 0.23 115.15 117.49 2gtl h HIS 69 Ca -0.04 0.09 0.13 0.00 0.71 0.00 0.00 60.37 61.26 2gtl h HIS 69 Cb 0.74 0.74 -0.14 0.00 2.52 0.00 0.00 27.41 31.27 2gtl h HIS 69 CO -0.32 -0.37 -0.32 0.45 0.71 0.00 0.00 177.93 178.08 2gtl n SER 70 N -4.94 -0.52 0.12 3.26 2.88 0.12 -0.10 113.62 114.44 2gtl n SER 70 Ca -0.01 1.45 -0.13 0.00 -1.33 0.00 0.00 58.87 58.85 2gtl n SER 70 Cb 0.26 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.88 -1.46 5.75 -0.08 -2.11 115.11 116.11 2gtl h GLN 71 Ca 0.30 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 59.02 2gtl h GLN 71 Cb 0.51 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 28.99 2gtl h GLN 71 CO -0.83 -0.12 0.39 0.00 -2.65 0.00 0.00 178.83 175.62 2gtl h ARG 72 N -0.25 0.41 0.21 1.69 3.08 0.65 0.12 114.38 120.29 2gtl h ARG 72 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2gtl h ARG 72 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2gtl h ARG 72 CO 0.04 0.27 -0.10 0.28 -1.07 0.00 0.00 179.97 179.38 2gtl h VAL 73 N 0.42 0.00 -0.93 2.04 2.07 -0.77 -2.15 116.25 116.93 2gtl h VAL 73 Ca 0.54 -0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.33 2gtl h VAL 73 Cb 1.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.62 2gtl h VAL 73 CO -0.51 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.31 2gtl h LEU 74 N -0.28 0.07 -0.22 2.57 -0.00 -0.81 0.22 115.31 116.86 2gtl h LEU 74 Ca -0.03 0.21 0.05 0.00 -0.00 0.00 0.00 57.88 58.11 2gtl h LEU 74 Cb 0.22 0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.10 2gtl h LEU 74 CO 0.05 -0.21 -0.10 -1.28 -0.00 0.00 0.00 178.44 176.91 2gtl h SER 75 N 0.19 -0.32 -0.75 -0.43 0.87 -0.59 0.24 113.55 112.75 2gtl h SER 75 Ca 0.62 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 61.33 2gtl h SER 75 Cb 1.35 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 63.44 2gtl h SER 75 CO -0.69 -0.13 0.44 1.23 -0.53 0.00 0.00 176.83 177.15 2gtl h GLY 76 N -0.06 1.12 0.75 5.77 0.00 0.07 0.18 103.07 110.90 2gtl h GLY 76 Ca 0.12 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.20 2gtl h GLY 76 CO -0.26 0.19 0.58 -2.00 0.00 0.00 0.00 176.54 175.04 2gtl h LEU 77 N 0.79 0.93 -0.05 3.11 5.85 -0.25 -0.32 115.31 125.38 2gtl h LEU 77 Ca 0.34 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.08 2gtl h LEU 77 Cb 0.20 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2gtl h LEU 77 CO -0.19 0.60 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.68 2gtl h ASP 78 N 1.07 -0.17 0.20 1.25 1.82 0.23 -0.77 116.42 120.05 2gtl h ASP 78 Ca 0.39 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 2gtl h ASP 78 Cb 0.14 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 2gtl h ASP 78 CO -0.16 -0.08 -0.37 0.40 -1.61 0.00 0.00 179.24 177.41 2gtl h ILE 79 N -0.08 0.00 -0.64 2.25 2.04 0.08 0.12 117.51 121.28 2gtl h ILE 79 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.00 2gtl h ILE 79 Cb 0.13 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.09 2gtl h ILE 79 CO -0.09 0.00 -0.37 0.71 0.00 0.00 0.00 178.15 178.40 2gtl h THR 80 N -0.61 0.13 -0.89 -0.27 1.35 -0.95 0.32 112.91 111.98 2gtl h THR 80 Ca -0.02 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.96 2gtl h THR 80 Cb 0.58 0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 67.06 2gtl h THR 80 CO -0.14 0.00 0.58 0.40 -0.25 0.00 0.00 175.52 176.10 2gtl h ILE 81 N -0.16 0.90 0.00 6.82 2.04 -0.64 0.31 117.51 126.78 2gtl h ILE 81 Ca 0.23 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2gtl h ILE 81 Cb 0.56 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2gtl h ILE 81 CO -0.72 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.04 2gtl n SER 82 N -4.55 0.00 -0.09 1.72 3.41 0.11 -2.70 113.62 111.51 2gtl n SER 82 Ca 0.16 -1.27 0.01 0.00 -0.26 0.00 0.00 58.87 57.51 2gtl n SER 82 Cb 0.39 0.00 0.01 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 -0.77 -0.25 0.17 4.33 2.81 0.11 -4.68 117.12 118.83 2gtl n MET 83 Ca 0.12 -0.75 0.17 0.00 -1.81 0.00 0.00 57.70 55.43 2gtl n MET 83 Cb 0.05 -1.04 0.79 0.00 -0.71 0.00 0.00 33.22 32.31 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 0.43 0.00 0.10 4.03 4.07 -1.28 -1.72 115.31 120.94 2gtl h LEU 84 Ca 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.69 2gtl h LEU 84 Cb 0.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2gtl h LEU 84 CO 0.00 0.00 -1.29 -2.24 -1.08 0.00 0.00 178.44 173.83 2gtl h ASP 85 N 0.00 0.33 -3.37 -0.43 2.03 -1.83 -3.42 116.42 109.72 2gtl h ASP 85 Ca 0.11 -0.38 -0.73 0.00 -0.73 0.00 0.00 57.03 55.31 2gtl h ASP 85 Cb 0.60 -0.11 -0.26 0.00 -0.83 0.00 0.00 39.33 38.73 2gtl h ASP 85 CO -0.00 1.30 -0.40 0.42 -1.03 0.00 0.00 179.24 179.53 2gtl s THR 86 N -2.65 4.61 0.14 1.15 -4.23 -0.64 -4.98 115.64 109.04 2gtl s THR 86 Ca -0.04 -1.33 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 2gtl s THR 86 Cb 0.08 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2gtl s THR 86 CO 0.86 -0.57 1.75 1.55 -0.54 0.00 0.00 174.62 177.67 2gtl h PRO 87 N 8.55 0.55 -0.73 3.99 0.13 -1.82 -2.59 132.00 140.08 2gtl h PRO 87 Ca -0.25 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 64.89 2gtl h PRO 87 Cb 1.09 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 2gtl h PRO 87 CO 0.82 0.44 0.48 0.38 -0.23 0.00 0.00 178.00 179.89 2gtl h ASP 88 N 0.51 0.65 0.10 1.44 2.03 -1.93 0.78 116.42 120.00 2gtl h ASP 88 Ca 0.14 0.01 -0.25 0.00 -0.73 0.00 0.00 57.03 56.20 2gtl h ASP 88 Cb 0.04 -0.13 0.02 0.00 -0.83 0.00 0.00 39.33 38.44 2gtl h ASP 88 CO -0.02 0.42 -1.02 0.24 -1.03 0.00 0.00 179.24 177.82 2gtl h MET 89 N 0.74 0.52 0.50 4.15 2.86 -1.89 -3.07 114.93 118.74 2gtl h MET 89 Ca 0.32 -0.69 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 2gtl h MET 89 Cb 0.29 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2gtl h MET 89 CO -0.11 1.30 -0.24 1.25 1.06 0.00 0.00 176.91 180.17 2gtl h LEU 90 N 0.07 -0.57 -1.02 1.22 5.85 -1.03 0.29 115.31 120.12 2gtl h LEU 90 Ca -0.16 -0.02 0.24 0.00 0.84 0.00 0.00 57.88 58.78 2gtl h LEU 90 Cb 1.73 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 42.79 2gtl h LEU 90 CO 0.20 -0.35 0.60 0.00 -0.34 0.00 0.00 178.44 178.55 2gtl h ALA 91 N -0.28 1.79 0.10 1.25 0.00 -0.99 0.70 119.26 121.83 2gtl h ALA 91 Ca -0.07 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gtl h ALA 91 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gtl h ALA 91 CO 0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.07 2gtl h ALA 92 N 1.71 -0.14 -0.39 0.00 0.00 -1.37 -2.37 119.26 116.70 2gtl h ALA 92 Ca 0.63 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.34 2gtl h ALA 92 Cb 1.17 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2gtl h ALA 92 CO -0.45 -0.29 0.13 0.37 0.00 0.00 0.00 179.25 179.01 2gtl h GLN 93 N -0.72 0.28 -0.13 0.00 5.75 0.86 -0.20 115.11 120.95 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 0.18 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.31 2gtl h LEU 94 N 0.29 -0.05 -0.91 -2.39 3.38 0.27 -0.82 115.31 115.07 2gtl h LEU 94 Ca 0.18 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2gtl h LEU 94 Cb 0.16 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2gtl h LEU 94 CO -0.19 -0.01 0.55 0.00 0.09 0.00 0.00 178.44 178.89 2gtl h ALA 95 N 1.11 1.34 -0.91 1.53 0.00 -0.85 -0.30 119.26 121.18 2gtl h ALA 95 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gtl h ALA 95 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2gtl h ALA 95 CO -0.10 0.18 0.50 1.25 0.00 0.00 0.00 179.25 181.08 2gtl h HIS 96 N 0.91 1.25 -0.38 0.00 -0.00 -0.17 -2.77 115.15 113.98 2gtl h HIS 96 Ca 0.44 -0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.63 2gtl h HIS 96 Cb 0.40 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2gtl h HIS 96 CO -0.03 0.86 -0.38 -0.07 -0.00 0.00 0.00 177.93 178.30 2gtl h LEU 97 N 1.27 0.99 -0.86 0.26 3.38 0.23 -3.10 115.31 117.48 2gtl h LEU 97 Ca 0.32 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2gtl h LEU 97 Cb 0.02 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.41 2gtl h LEU 97 CO -0.05 1.25 0.47 0.50 0.09 0.00 0.00 178.44 180.70 2gtl h LYS 98 N 0.74 0.69 -0.05 1.13 3.64 -0.84 -1.94 116.57 119.93 2gtl h LYS 98 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2gtl h LYS 98 Cb 0.98 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2gtl h LYS 98 CO 0.09 0.45 0.03 0.28 -2.27 0.00 0.00 179.45 178.03 2gtl h VAL 99 N 0.71 1.10 0.00 2.00 2.07 -1.45 0.12 116.25 120.79 2gtl h VAL 99 Ca 0.45 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2gtl h VAL 99 Cb 0.56 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2gtl h VAL 99 CO -0.32 0.08 0.01 0.00 0.02 0.00 0.00 177.57 177.36 2gtl n GLN 100 N -4.99 0.00 -0.05 1.57 6.02 -0.75 -3.29 117.38 115.89 2gtl n GLN 100 Ca -0.06 0.46 -0.10 0.00 -0.01 0.00 0.00 57.00 57.28 2gtl n GLN 100 Cb 0.08 -1.51 -0.03 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 -1.46 0.00 -0.44 1.08 8.25 -0.77 -4.69 115.22 117.19 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 0.01 -0.38 0.61 0.00 1.12 0.00 0.00 29.99 31.36 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 -3.78 -0.21 0.06 1.59 3.14 0.35 -0.87 118.33 118.60 2gtl n VAL 102 Ca -0.18 1.60 0.00 0.00 -2.96 0.00 0.00 64.34 62.80 2gtl n VAL 102 Cb 0.49 -2.63 0.01 0.00 -1.06 0.00 0.00 33.84 30.66 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 -4.45 0.03 -4.08 1.45 -0.58 -1.25 -4.65 120.64 107.11 2gtl n GLU 103 Ca 0.36 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.99 2gtl n GLU 103 Cb 1.43 -1.17 -0.11 0.00 -0.57 0.00 0.00 31.44 31.02 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 0.59 -0.81 3.49 0.52 -0.05 -5.06 118.95 115.63 2gtl s ARG 104 Ca 0.01 -0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 54.03 2gtl s ARG 104 Cb 0.00 -0.19 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 2gtl s ARG 104 CO 0.00 0.01 2.18 -0.80 0.02 0.00 0.00 175.30 176.71 2gtl s ASN 105 N -2.06 4.53 -0.31 0.23 0.01 -1.26 -4.88 114.94 111.19 2gtl s ASN 105 Ca -0.03 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 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 -3.26 -0.00 -0.76 -1.51 0.00 0.00 177.10 171.55 2gtl s LEU 106 N 12.33 4.31 0.02 0.60 1.43 -1.26 -4.97 118.68 131.13 2gtl s LEU 106 Ca 0.82 -1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.74 2gtl s LEU 106 Cb -0.10 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2gtl s LEU 106 CO 0.06 -0.32 2.00 -0.54 0.23 0.00 0.00 176.35 177.78 2gtl s LYS 107 N 0.98 4.05 0.60 1.70 3.01 -1.26 -4.80 119.74 124.02 2gtl s LYS 107 Ca 0.04 2.57 0.19 0.00 -1.01 0.00 0.00 55.97 57.76 2gtl s LYS 107 Cb -0.19 -4.19 1.01 0.00 -1.01 0.00 0.00 37.83 33.45 2gtl s LYS 107 CO -0.07 -1.06 1.54 -1.00 0.51 0.00 0.00 175.35 175.27 2gtl h PRO 108 N 11.03 0.00 0.00 -1.68 0.13 -1.97 0.50 132.00 140.00 2gtl h PRO 108 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.94 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 -0.59 0.86 4.11 -2.01 -3.19 114.58 113.76 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 1.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 2gtl h GLU 109 CO 0.00 0.14 0.23 0.74 0.07 0.00 0.00 179.01 180.19 2gtl h PHE 110 N 0.00 0.41 -0.69 2.06 0.05 -0.35 -0.85 116.94 117.58 2gtl h PHE 110 Ca -0.00 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.75 2gtl h PHE 110 Cb 0.79 -0.10 -0.03 0.00 2.00 0.00 0.00 35.95 38.61 2gtl h PHE 110 CO 0.00 0.13 0.18 0.74 -0.18 0.00 0.00 178.31 179.18 2gtl h PHE 111 N 0.43 1.14 -0.07 -0.55 -1.00 -1.73 0.16 116.94 115.32 2gtl h PHE 111 Ca 0.29 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.96 2gtl h PHE 111 Cb 0.33 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 2gtl h PHE 111 CO -0.15 0.93 0.06 -0.44 -1.61 0.00 0.00 178.31 177.09 2gtl h ASP 112 N 1.03 0.00 0.11 2.17 3.45 -1.30 0.92 116.42 122.80 2gtl h ASP 112 Ca 0.22 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 2gtl h ASP 112 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 2gtl h ASP 112 CO -0.00 0.00 -0.05 0.40 -1.57 0.00 0.00 179.24 178.02 2gtl h ILE 113 N 0.00 0.91 -0.66 0.35 2.04 0.11 -2.60 117.51 117.66 2gtl h ILE 113 Ca 0.03 -1.33 0.13 0.00 1.00 0.00 0.00 64.86 64.69 2gtl h ILE 113 Cb 0.15 1.60 -0.13 0.00 -0.74 0.00 0.00 36.82 37.70 2gtl h ILE 113 CO -0.00 0.26 -0.24 0.15 0.00 0.00 0.00 178.15 178.32 2gtl h PHE 114 N -0.90 -0.59 -0.35 1.37 3.57 0.10 0.66 116.94 120.80 2gtl h PHE 114 Ca -0.01 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2gtl h PHE 114 Cb 0.54 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 2gtl h PHE 114 CO 0.11 -0.34 0.11 1.25 -2.23 0.00 0.00 178.31 177.21 2gtl h LEU 115 N -0.06 0.10 -0.51 0.59 5.85 -0.92 0.30 115.31 120.66 2gtl h LEU 115 Ca 0.30 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.16 2gtl h LEU 115 Cb 0.53 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 2gtl h LEU 115 CO -0.71 0.09 -0.24 0.50 -0.34 0.00 0.00 178.44 177.74 2gtl h LYS 116 N 0.25 -0.12 -0.08 1.25 3.64 -0.48 -1.80 116.57 119.23 2gtl h LYS 116 Ca 0.16 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2gtl h LYS 116 Cb 0.15 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2gtl h LYS 116 CO -0.18 -0.08 -0.11 0.45 -2.27 0.00 0.00 179.45 177.26 2gtl h HIS 117 N -0.12 0.27 -1.07 1.91 3.86 -0.94 -2.04 115.15 117.02 2gtl h HIS 117 Ca 0.23 -0.09 0.30 0.00 -1.16 0.00 0.00 60.37 59.66 2gtl h HIS 117 Cb 0.49 -0.05 -0.12 0.00 1.06 0.00 0.00 27.41 28.78 2gtl h HIS 117 CO -0.52 0.69 0.66 1.25 0.86 0.00 0.00 177.93 180.87 2gtl h LEU 118 N -0.22 0.48 -0.07 2.43 5.85 -0.57 0.48 115.31 123.70 2gtl h LEU 118 Ca 0.01 0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 2gtl h LEU 118 Cb 0.66 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.76 2gtl h LEU 118 CO 0.03 -0.01 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.43 2gtl h LEU 119 N 0.37 0.67 -0.31 2.25 3.38 -1.26 -1.59 115.31 118.81 2gtl h LEU 119 Ca 0.68 -0.68 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2gtl h LEU 119 Cb 1.66 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 2gtl h LEU 119 CO -0.44 1.25 0.01 -0.74 0.09 0.00 0.00 178.44 178.61 2gtl h HIS 120 N 0.14 0.01 0.31 1.13 2.76 0.45 0.21 115.15 120.16 2gtl h HIS 120 Ca -0.06 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2gtl h HIS 120 Cb 1.28 0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.28 2gtl h HIS 120 CO 0.12 -0.04 -0.15 0.28 -1.30 0.00 0.00 177.93 176.84 2gtl h VAL 121 N 0.11 0.72 -0.71 5.26 2.07 -0.29 -2.29 116.25 121.12 2gtl h VAL 121 Ca 0.15 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.49 2gtl h VAL 121 Cb 0.19 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2gtl h VAL 121 CO -0.24 0.07 0.48 -0.07 0.02 0.00 0.00 177.57 177.83 2gtl h LEU 122 N -0.59 0.32 -0.30 2.57 3.38 -1.08 0.99 115.31 120.59 2gtl h LEU 122 Ca -0.04 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2gtl h LEU 122 Cb 0.43 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2gtl h LEU 122 CO 0.07 0.17 -0.01 1.23 0.09 0.00 0.00 178.44 179.99 2gtl h GLY 123 N 0.34 0.29 0.88 0.83 0.00 -0.02 0.36 103.07 105.75 2gtl h GLY 123 Ca 0.35 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.69 2gtl h GLY 123 CO -0.09 -0.07 -0.28 -0.55 0.00 0.00 0.00 176.54 175.54 2gtl h ASP 124 N 0.08 -0.66 -0.33 0.19 3.45 -0.53 0.16 116.42 118.77 2gtl h ASP 124 Ca 0.15 -0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.66 2gtl h ASP 124 Cb 0.20 0.17 -0.08 0.00 -0.56 0.00 0.00 39.33 39.07 2gtl h ASP 124 CO -0.25 -0.39 -0.17 0.03 -1.57 0.00 0.00 179.24 176.88 2gtl h ARG 125 N -0.91 -0.12 0.00 3.56 2.47 -0.95 -3.04 114.38 115.39 2gtl h ARG 125 Ca -0.08 0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.48 2gtl h ARG 125 Cb 0.65 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 2gtl h ARG 125 CO 0.13 -0.08 -0.91 -0.07 0.56 0.00 0.00 179.97 179.60 2gtl h LEU 126 N -0.13 0.00 0.00 3.04 3.38 -0.31 -3.48 115.31 117.81 2gtl h LEU 126 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2gtl h LEU 126 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2gtl h LEU 126 CO -0.41 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.45 2gtl n GLY 127 N 1.32 0.45 0.18 0.83 0.00 0.54 -4.01 105.19 104.51 2gtl n GLY 127 Ca -0.02 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.87 -0.07 0.00 -0.55 0.00 0.00 66.41 64.92 2gtl h THR 128 Cb 0.00 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 2gtl h THR 128 CO 0.00 0.00 -0.35 0.45 -0.25 0.00 0.00 175.52 175.37 2gtl h HIS 129 N 0.00 0.00 -0.40 4.73 -0.00 -1.95 -3.45 115.15 114.08 2gtl h HIS 129 Ca 0.00 0.00 -0.81 0.00 -0.00 0.00 0.00 60.37 59.56 2gtl h HIS 129 Cb 0.93 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 2gtl h HIS 129 CO 0.00 0.35 1.09 0.34 -0.00 0.00 0.00 177.93 179.71 2gtl n PHE 130 N -3.79 1.40 -2.76 2.45 7.35 -1.21 -4.81 117.46 116.08 2gtl n PHE 130 Ca -0.01 0.90 -0.43 0.00 -0.76 0.00 0.00 57.45 57.14 2gtl n PHE 130 Cb 0.43 -2.27 -0.00 0.00 0.35 0.00 0.00 39.48 37.99 2gtl n PHE 130 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2gtl s ASP 131 N 4.89 6.95 0.17 -2.13 3.68 -1.26 -4.81 116.67 124.15 2gtl s ASP 131 Ca 1.14 -2.71 -0.25 0.00 2.13 0.00 0.00 52.55 52.86 2gtl s ASP 131 Cb -1.49 -2.49 0.04 0.00 -1.45 0.00 0.00 42.92 37.53 2gtl s ASP 131 CO 0.72 -0.96 1.58 0.15 0.13 0.00 0.00 175.17 176.78 2gtl h PHE 132 N 7.38 -1.14 -0.48 -5.34 3.04 -1.95 -1.68 116.94 116.78 2gtl h PHE 132 Ca 0.38 0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.45 2gtl h PHE 132 Cb 0.87 0.57 -0.07 0.00 2.56 0.00 0.00 35.95 39.88 2gtl h PHE 132 CO 1.27 -0.42 -0.41 0.78 -2.02 0.00 0.00 178.31 177.51 2gtl h GLY 133 N -0.26 -1.33 0.06 2.40 0.00 -2.00 0.14 103.07 102.08 2gtl h GLY 133 Ca 0.17 0.82 0.12 0.00 0.00 0.00 0.00 47.33 48.45 2gtl h GLY 133 CO -0.61 -0.28 0.08 0.00 0.00 0.00 0.00 176.54 175.72 2gtl h ALA 134 N -0.20 0.68 0.48 3.60 0.00 -1.70 -1.16 119.26 120.97 2gtl h ALA 134 Ca 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2gtl h ALA 134 Cb 0.37 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2gtl h ALA 134 CO -0.53 -0.35 -0.23 -1.49 0.00 0.00 0.00 179.25 176.64 2gtl h TRP 135 N 0.19 -0.60 -0.33 0.00 4.06 -0.29 -0.26 115.95 118.73 2gtl h TRP 135 Ca 0.32 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.33 2gtl h TRP 135 Cb 0.51 0.20 -0.08 0.00 -1.00 0.00 0.00 29.16 28.79 2gtl h TRP 135 CO -0.30 -0.30 -0.36 1.25 -3.56 0.00 0.00 178.44 175.17 2gtl h HIS 136 N -0.83 -1.03 -0.98 0.49 2.76 -0.44 1.03 115.15 116.15 2gtl h HIS 136 Ca -0.07 0.06 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2gtl h HIS 136 Cb 0.57 0.50 -0.07 0.00 1.55 0.00 0.00 27.41 29.97 2gtl h HIS 136 CO -0.01 -0.41 0.63 -0.44 -1.30 0.00 0.00 177.93 176.40 2gtl h ASP 137 N -0.32 0.99 0.01 3.26 3.45 -1.22 -2.46 116.42 120.13 2gtl h ASP 137 Ca 0.14 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.49 2gtl h ASP 137 Cb 0.56 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 2gtl h ASP 137 CO -0.50 0.62 -0.64 0.00 -1.57 0.00 0.00 179.24 177.14 2gtl h VAL 139 N -0.92 1.25 0.14 0.00 2.07 0.89 -2.95 116.25 116.72 2gtl h VAL 139 Ca -0.17 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.22 2gtl h VAL 139 Cb 1.21 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2gtl h VAL 139 CO -0.07 0.35 -0.42 -0.78 0.02 0.00 0.00 177.57 176.67 2gtl h ASP 140 N 0.22 -1.24 -1.20 0.57 1.82 -1.56 0.38 116.42 115.41 2gtl h ASP 140 Ca 0.03 0.14 0.34 0.00 -0.39 0.00 0.00 57.03 57.15 2gtl h ASP 140 Cb 0.59 0.46 -0.07 0.00 0.68 0.00 0.00 39.33 40.99 2gtl h ASP 140 CO 0.04 -0.49 0.82 -0.61 -1.61 0.00 0.00 179.24 177.39 2gtl h GLN 141 N -0.67 0.13 -0.03 0.28 4.15 -1.60 0.61 115.11 117.99 2gtl h GLN 141 Ca 0.02 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 2gtl h GLN 141 Cb 0.69 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 2gtl h GLN 141 CO -0.23 0.09 -0.80 0.82 -1.93 0.00 0.00 178.83 176.78 2gtl h ILE 142 N 0.14 1.43 0.11 2.39 2.04 -0.94 -3.18 117.51 119.50 2gtl h ILE 142 Ca 0.62 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 2gtl h ILE 142 Cb 2.14 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 40.50 2gtl h ILE 142 CO -0.15 0.69 -0.05 0.40 0.00 0.00 0.00 178.15 179.04 2gtl h ILE 143 N 0.19 1.09 -0.97 -0.67 2.04 0.11 -3.18 117.51 116.13 2gtl h ILE 143 Ca -0.04 -1.16 0.26 0.00 1.00 0.00 0.00 64.86 64.92 2gtl h ILE 143 Cb 1.39 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 39.20 2gtl h ILE 143 CO 0.13 0.26 0.67 0.44 0.00 0.00 0.00 178.15 179.65 2gtl h ASP 144 N -0.72 0.19 0.18 1.72 3.32 -1.38 1.03 116.42 120.76 2gtl h ASP 144 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2gtl h ASP 144 Cb 0.54 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2gtl h ASP 144 CO 0.02 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 2gtl n GLY 145 N -1.63 -0.79 0.00 2.75 0.00 -1.20 -3.48 105.19 100.84 2gtl n GLY 145 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.14 0.00 0.00 -0.61 5.41 0.31 -4.30 119.36 119.03 2gtl n ILE 146 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2gtl n ILE 146 Cb 0.11 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 2gtl n ILE 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72