#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtl s LYS 2 N 0.00 0.68 0.01 1.97 2.20 -1.26 -5.10 119.74 118.23 2gtl s LYS 2 Ca 0.00 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2gtl s LYS 2 Cb 0.00 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 2gtl s LYS 2 CO 0.00 -0.23 0.05 -0.65 -0.36 0.00 0.00 175.35 174.17 2gtl s GLN 3 N -1.47 2.94 -1.12 4.03 -0.21 -1.26 -4.64 119.66 117.93 2gtl s GLN 3 Ca -0.01 -0.56 -0.21 0.00 0.02 0.00 0.00 55.36 54.60 2gtl s GLN 3 Cb -0.00 -2.78 -0.07 0.00 1.00 0.00 0.00 33.01 31.16 2gtl s GLN 3 CO 0.01 0.63 1.92 0.00 -2.12 0.00 0.00 175.29 175.72 2gtl n GLY 5 N 5.27 1.10 0.12 0.00 0.00 -1.26 -4.82 105.19 105.60 2gtl n GLY 5 Ca 0.47 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 2gtl n GLY 5 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gtl h VAL 6 N 0.00 0.00 0.84 1.61 2.07 -1.93 -3.24 116.25 115.61 2gtl h VAL 6 Ca 0.00 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2gtl h VAL 6 Cb 0.00 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 2gtl h VAL 6 CO 0.00 0.00 -0.41 -0.07 0.02 0.00 0.00 177.57 177.11 2gtl h LEU 7 N -0.92 -0.96 -1.54 2.57 3.38 -1.96 -2.31 115.31 113.57 2gtl h LEU 7 Ca -0.02 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2gtl h LEU 7 Cb 0.17 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2gtl h LEU 7 CO 0.04 -0.62 0.73 1.05 0.09 0.00 0.00 178.44 179.73 2gtl h GLU 8 N -1.27 0.00 0.32 1.13 9.09 -1.88 0.49 114.58 122.46 2gtl h GLU 8 Ca -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.28 2gtl h GLU 8 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 2gtl h GLU 8 CO 0.19 0.00 -0.15 0.78 0.05 0.00 0.00 179.01 179.88 2gtl h GLY 9 N 0.00 -0.45 -0.37 1.06 0.00 -1.50 -2.43 103.07 99.39 2gtl h GLY 9 Ca 0.26 0.17 0.29 0.00 0.00 0.00 0.00 47.33 48.05 2gtl h GLY 9 CO -0.00 -0.16 0.60 1.41 0.00 0.00 0.00 176.54 178.38 2gtl h LEU 10 N -1.11 0.56 0.44 3.11 4.07 0.42 0.42 115.31 123.22 2gtl h LEU 10 Ca -0.04 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 2gtl h LEU 10 Cb 0.34 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2gtl h LEU 10 CO 0.07 -0.03 -0.21 0.50 -1.08 0.00 0.00 178.44 177.70 2gtl h LYS 11 N 0.42 -0.57 -0.43 1.13 3.64 -0.97 -1.50 116.57 118.29 2gtl h LYS 11 Ca 0.69 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 60.14 2gtl h LYS 11 Cb 1.53 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.44 2gtl h LYS 11 CO -0.52 -0.27 0.22 0.28 -2.27 0.00 0.00 179.45 176.89 2gtl h VAL 12 N -0.82 0.98 -0.93 2.00 2.07 -0.53 0.64 116.25 119.66 2gtl h VAL 12 Ca -0.06 -0.15 0.16 0.00 0.82 0.00 0.00 66.70 67.46 2gtl h VAL 12 Cb 0.55 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 2gtl h VAL 12 CO 0.10 0.08 0.59 0.50 0.02 0.00 0.00 177.57 178.87 2gtl h LYS 13 N 0.45 0.69 0.10 1.57 3.64 -0.20 0.33 116.57 123.15 2gtl h LYS 13 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2gtl h LYS 13 Cb 0.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2gtl h LYS 13 CO -0.12 0.46 -0.05 1.03 -2.27 0.00 0.00 179.45 178.50 2gtl h SER 14 N 0.71 -0.12 -0.84 4.20 0.87 -0.28 -3.00 113.55 115.10 2gtl h SER 14 Ca 0.48 -0.43 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 2gtl h SER 14 Cb 0.78 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 2gtl h SER 14 CO -0.24 0.52 0.54 -0.33 -0.53 0.00 0.00 176.83 176.79 2gtl h GLU 15 N -0.91 0.84 -0.93 2.24 5.08 -0.51 0.63 114.58 121.03 2gtl h GLU 15 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2gtl h GLU 15 Cb 0.54 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2gtl h GLU 15 CO 0.02 0.56 0.54 2.35 -1.00 0.00 0.00 179.01 181.48 2gtl h TRP 16 N 0.87 1.24 -0.76 4.33 2.91 -0.45 -0.89 115.95 123.21 2gtl h TRP 16 Ca 0.37 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.51 2gtl h TRP 16 Cb 0.31 -0.40 -0.09 0.00 -0.51 0.00 0.00 29.16 28.47 2gtl h TRP 16 CO -0.00 0.84 0.33 0.78 -1.03 0.00 0.00 178.44 179.35 2gtl h GLY 17 N 1.29 1.17 0.73 2.65 0.00 -0.72 0.23 103.07 108.42 2gtl h GLY 17 Ca 0.33 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 2gtl h GLY 17 CO -0.06 -0.07 -0.25 3.21 0.00 0.00 0.00 176.54 179.37 2gtl h ARG 18 N 0.49 0.37 -0.46 4.80 3.08 -1.18 -2.97 114.38 118.51 2gtl h ARG 18 Ca 0.41 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2gtl h ARG 18 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2gtl h ARG 18 CO -0.38 0.85 -0.09 0.00 -1.07 0.00 0.00 179.97 179.28 2gtl h ALA 19 N 0.52 0.62 0.70 0.04 0.00 -0.66 -3.24 119.26 117.24 2gtl h ALA 19 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2gtl h ALA 19 Cb 0.85 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2gtl h ALA 19 CO 0.06 0.50 -0.34 -0.92 0.00 0.00 0.00 179.25 178.55 2gtl h TYR 20 N 0.70 -0.89 -0.25 0.00 -0.00 -0.65 -3.48 116.97 112.41 2gtl h TYR 20 Ca 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.83 2gtl h TYR 20 Cb 0.63 0.29 0.00 0.00 -0.00 0.00 0.00 36.73 37.65 2gtl h TYR 20 CO 0.05 -0.55 0.00 0.41 -0.00 0.00 0.00 178.16 178.07 2gtl n GLY 21 N -1.50 0.65 3.69 1.82 0.00 -1.12 -4.20 105.19 104.52 2gtl n GLY 21 Ca -0.14 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 2gtl n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gtl s SER 22 N -4.00 0.29 1.85 1.61 1.04 -1.26 -4.80 113.70 108.43 2gtl s SER 22 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2gtl s SER 22 Cb 0.00 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2gtl s SER 22 CO 0.00 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2gtl n GLY 23 N -0.53 3.88 0.15 7.32 0.00 -1.26 -2.72 105.19 112.03 2gtl n GLY 23 Ca -0.04 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2gtl n GLY 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2gtl h HIS 24 N 0.00 0.73 -0.99 1.61 3.86 -1.99 -2.87 115.15 115.51 2gtl h HIS 24 Ca 0.00 -0.44 0.31 0.00 -1.16 0.00 0.00 60.37 59.08 2gtl h HIS 24 Cb 0.00 -0.07 -0.15 0.00 1.06 0.00 0.00 27.41 28.25 2gtl h HIS 24 CO 0.00 1.28 0.53 -0.44 0.86 0.00 0.00 177.93 180.15 2gtl h ASP 25 N -0.01 0.46 0.52 2.45 5.19 -1.88 0.61 116.42 123.76 2gtl h ASP 25 Ca -0.12 0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2gtl h ASP 25 Cb 1.54 0.15 0.01 0.00 0.18 0.00 0.00 39.33 41.21 2gtl h ASP 25 CO 0.16 -0.12 -0.25 -0.09 -3.12 0.00 0.00 179.24 175.82 2gtl h ARG 26 N 0.33 -0.68 -0.57 3.56 2.43 -1.54 0.51 114.38 118.42 2gtl h ARG 26 Ca 0.71 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 60.09 2gtl h ARG 26 Cb 1.57 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.25 2gtl h ARG 26 CO -0.60 -0.39 0.73 1.49 -1.51 0.00 0.00 179.97 179.68 2gtl h GLU 27 N -1.11 0.00 0.00 0.20 4.81 -0.76 -0.29 114.58 117.43 2gtl h GLU 27 Ca -0.07 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 2gtl h GLU 27 Cb 0.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2gtl h GLU 27 CO 0.12 0.00 -1.28 0.00 -0.73 0.00 0.00 179.01 177.12 2gtl n ALA 28 N -2.22 0.78 -0.36 2.92 0.00 0.00 -3.02 120.51 118.61 2gtl n ALA 28 Ca 0.12 -0.59 0.03 0.00 0.00 0.00 0.00 53.44 52.99 2gtl n ALA 28 Cb 0.93 -0.27 0.09 0.00 0.00 0.00 0.00 19.45 20.20 2gtl n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gtl n PHE 29 N -4.45 0.20 0.06 0.00 7.35 0.18 0.11 117.46 120.92 2gtl n PHE 29 Ca -0.29 1.18 -0.13 0.00 -0.76 0.00 0.00 57.45 57.45 2gtl n PHE 29 Cb 0.61 -0.97 -0.08 0.00 0.35 0.00 0.00 39.48 39.39 2gtl n PHE 29 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2gtl h SER 30 N 0.00 -0.09 -0.45 -2.13 4.64 -1.29 -1.78 113.55 112.45 2gtl h SER 30 Ca 0.40 -0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 2gtl h SER 30 Cb 0.64 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.67 2gtl h SER 30 CO -0.97 0.08 -0.49 1.56 -0.87 0.00 0.00 176.83 176.14 2gtl h GLN 31 N -0.27 -0.33 -0.36 4.77 1.08 0.94 -0.15 115.11 120.79 2gtl h GLN 31 Ca -0.01 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 2gtl h GLN 31 Cb 0.23 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.65 2gtl h GLN 31 CO 0.02 -0.22 -0.19 0.00 -0.95 0.00 0.00 178.83 177.49 2gtl h ALA 32 N 0.24 0.06 -0.11 3.87 0.00 0.76 -0.93 119.26 123.17 2gtl h ALA 32 Ca 0.12 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2gtl h ALA 32 Cb 0.59 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2gtl h ALA 32 CO -0.61 -0.57 -0.25 0.82 0.00 0.00 0.00 179.25 178.64 2gtl h ILE 33 N -0.14 0.41 -0.71 0.00 2.04 -0.34 -0.85 117.51 117.93 2gtl h ILE 33 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2gtl h ILE 33 Cb 0.42 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2gtl h ILE 33 CO -0.45 0.00 0.46 -0.50 0.00 0.00 0.00 178.15 177.66 2gtl h TRP 34 N -0.33 0.90 -0.99 1.37 4.06 -0.51 0.26 115.95 120.71 2gtl h TRP 34 Ca 0.09 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.11 2gtl h TRP 34 Cb 0.47 -0.30 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 2gtl h TRP 34 CO -0.34 0.58 0.64 0.00 -3.56 0.00 0.00 178.44 175.77 2gtl h ARG 35 N 0.96 1.16 -0.41 0.49 3.08 -0.67 0.17 114.38 119.16 2gtl h ARG 35 Ca 0.26 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 2gtl h ARG 35 Cb -0.09 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.68 2gtl h ARG 35 CO -0.05 0.77 -0.17 0.00 -1.07 0.00 0.00 179.97 179.44 2gtl h ALA 36 N 1.44 0.94 0.69 0.04 0.00 -0.31 -1.11 119.26 120.94 2gtl h ALA 36 Ca 0.42 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2gtl h ALA 36 Cb 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2gtl h ALA 36 CO -0.16 0.62 -0.33 1.15 0.00 0.00 0.00 179.25 180.53 2gtl h THR 37 N 0.68 0.06 -0.48 0.00 2.02 0.80 -2.88 112.91 113.12 2gtl h THR 37 Ca 0.10 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.06 2gtl h THR 37 Cb 0.66 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2gtl h THR 37 CO 0.05 0.01 0.33 -0.26 0.37 0.00 0.00 175.52 176.01 2gtl h PHE 38 N -1.21 0.34 -0.22 3.16 0.05 -0.77 0.07 116.94 118.37 2gtl h PHE 38 Ca -0.09 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.65 2gtl h PHE 38 Cb 0.73 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 2gtl h PHE 38 CO 0.00 0.18 -0.10 0.00 -0.18 0.00 0.00 178.31 178.21 2gtl h ALA 39 N 1.75 1.43 0.04 2.45 0.00 -1.18 -1.57 119.26 122.17 2gtl h ALA 39 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gtl h ALA 39 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2gtl h ALA 39 CO -0.05 0.40 -0.02 1.96 0.00 0.00 0.00 179.25 181.54 2gtl h GLN 40 N 0.33 -0.05 -2.68 0.00 4.20 -0.78 -3.40 115.11 112.73 2gtl h GLN 40 Ca 0.07 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.17 2gtl h GLN 40 Cb 0.38 0.01 -0.41 0.00 0.30 0.00 0.00 27.48 27.77 2gtl h GLN 40 CO 0.02 0.58 -0.69 1.33 -0.67 0.00 0.00 178.83 179.40 2gtl n VAL 41 N -4.79 1.09 0.13 -0.54 0.24 -0.80 -4.93 118.33 108.73 2gtl n VAL 41 Ca -0.09 -4.61 0.19 0.00 -2.04 0.00 0.00 64.34 57.79 2gtl n VAL 41 Cb 0.32 -2.05 0.74 0.00 -1.47 0.00 0.00 33.84 31.38 2gtl n VAL 41 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2gtl h PRO 42 N 5.06 0.00 -0.95 7.34 0.13 -1.51 -0.47 132.00 141.60 2gtl h PRO 42 Ca 0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.46 2gtl h PRO 42 Cb 0.77 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.81 2gtl h PRO 42 CO 0.66 0.00 0.56 0.93 -0.23 0.00 0.00 178.00 179.92 2gtl h GLU 43 N 0.00 0.78 0.00 0.86 4.39 -1.92 -1.93 114.58 116.77 2gtl h GLU 43 Ca 0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2gtl h GLU 43 Cb 1.06 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2gtl h GLU 43 CO -0.00 0.52 0.00 0.66 -1.16 0.00 0.00 179.01 179.02 2gtl h SER 44 N 0.80 0.00 -0.65 1.42 4.64 -1.45 -2.92 113.55 115.40 2gtl h SER 44 Ca 0.51 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.97 2gtl h SER 44 Cb 0.67 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 2gtl h SER 44 CO -0.33 0.00 0.44 0.03 -0.87 0.00 0.00 176.83 176.10 2gtl h ARG 45 N 0.00 0.27 -0.15 4.77 3.08 -1.52 -1.59 114.38 119.25 2gtl h ARG 45 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2gtl h ARG 45 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2gtl h ARG 45 CO 0.00 0.18 0.14 0.66 -1.07 0.00 0.00 179.97 179.88 2gtl h SER 46 N 0.28 0.00 0.70 7.04 4.64 -1.73 -2.15 113.55 122.33 2gtl h SER 46 Ca 0.31 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.50 2gtl h SER 46 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2gtl h SER 46 CO -0.07 0.00 -0.64 -0.07 -0.87 0.00 0.00 176.83 175.18 2gtl h LEU 47 N 0.00 0.00 -3.97 5.97 4.07 -1.54 -3.16 115.31 116.69 2gtl h LEU 47 Ca 0.07 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.49 2gtl h LEU 47 Cb 0.35 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 41.79 2gtl h LEU 47 CO -0.00 0.64 0.66 0.49 -1.08 0.00 0.00 178.44 179.15 2gtl n PHE 48 N -3.72 3.01 0.21 1.13 3.01 -0.81 -4.37 117.46 115.93 2gtl n PHE 48 Ca -0.01 -2.08 0.06 0.00 1.01 0.00 0.00 57.45 56.43 2gtl n PHE 48 Cb 0.65 -1.02 0.48 0.00 -0.01 0.00 0.00 39.48 39.57 2gtl n PHE 48 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2gtl h LYS 49 N 1.21 0.00 -0.05 -1.08 1.63 -1.59 0.14 116.57 116.82 2gtl h LYS 49 Ca 0.61 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.32 2gtl h LYS 49 Cb 2.40 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 34.02 2gtl h LYS 49 CO 1.17 0.27 -0.41 -0.09 -3.45 0.00 0.00 179.45 176.94 2gtl h ARG 50 N 0.00 0.12 -1.90 1.90 2.43 -1.87 -3.23 114.38 111.82 2gtl h ARG 50 Ca -0.00 -0.05 -0.62 0.00 -0.81 0.00 0.00 59.98 58.50 2gtl h ARG 50 Cb 0.54 -0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.68 2gtl h ARG 50 CO 0.03 0.51 -0.45 1.55 -1.51 0.00 0.00 179.97 180.10 2gtl n VAL 51 N -4.04 2.98 -3.83 0.20 3.14 -0.96 -4.95 118.33 110.87 2gtl n VAL 51 Ca -0.02 -5.21 -0.31 0.00 -2.96 0.00 0.00 64.34 55.85 2gtl n VAL 51 Cb 0.46 -1.34 0.01 0.00 -1.06 0.00 0.00 33.84 31.91 2gtl n VAL 51 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2gtl n HIS 52 N -0.37 -1.48 0.64 1.45 8.25 -1.21 -3.56 115.22 118.94 2gtl n HIS 52 Ca 0.37 0.40 0.13 0.00 -0.26 0.00 0.00 57.72 58.36 2gtl n HIS 52 Cb 0.50 -2.37 0.43 0.00 1.12 0.00 0.00 29.99 29.67 2gtl n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gtl n GLY 53 N -1.71 -1.65 0.31 -1.41 0.00 0.44 -3.33 105.19 97.85 2gtl n GLY 53 Ca -0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2gtl n GLY 53 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2gtl h ASP 54 N 0.00 0.98 -3.83 1.61 2.03 -1.86 -3.38 116.42 111.98 2gtl h ASP 54 Ca 0.00 -0.23 -0.66 0.00 -0.73 0.00 0.00 57.03 55.41 2gtl h ASP 54 Cb 0.68 -0.26 -0.40 0.00 -0.83 0.00 0.00 39.33 38.52 2gtl h ASP 54 CO 0.00 0.98 -0.68 -0.62 -1.03 0.00 0.00 179.24 177.89 2gtl s ASP 55 N -6.54 4.71 0.65 4.15 2.15 -1.21 -4.97 116.67 115.61 2gtl s ASP 55 Ca -0.11 -2.34 0.28 0.00 0.43 0.00 0.00 52.55 50.80 2gtl s ASP 55 Cb 0.15 -1.65 1.48 0.00 -0.30 0.00 0.00 42.92 42.60 2gtl s ASP 55 CO 0.84 -0.36 1.85 0.00 -0.17 0.00 0.00 175.17 177.33 2gtl h THR 56 N 6.34 0.09 -0.16 1.71 1.03 -1.77 -0.16 112.91 119.99 2gtl h THR 56 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 2gtl h THR 56 Cb 0.99 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 2gtl h THR 56 CO 0.57 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.88 2gtl n SER 57 N -3.06 2.27 -4.73 0.00 7.64 -1.26 -4.38 113.62 110.10 2gtl n SER 57 Ca 0.01 -1.78 -0.41 0.00 1.01 0.00 0.00 58.87 57.69 2gtl n SER 57 Cb 0.50 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 2gtl n SER 57 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2gtl s HIS 58 N -1.80 3.58 0.29 1.43 2.46 -0.07 -4.84 115.29 116.33 2gtl s HIS 58 Ca 0.34 1.55 -0.02 0.00 0.47 0.00 0.00 55.06 57.41 2gtl s HIS 58 Cb 0.20 -3.27 0.63 0.00 -0.13 0.00 0.00 32.58 30.00 2gtl s HIS 58 CO 0.30 -0.63 1.59 -1.00 -2.47 0.00 0.00 174.74 172.53 2gtl h PRO 59 N 5.79 0.04 -0.48 2.88 0.13 -1.91 0.17 132.00 138.62 2gtl h PRO 59 Ca -0.43 -0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 2gtl h PRO 59 Cb 1.21 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 2gtl h PRO 59 CO 0.75 0.03 -0.14 0.00 -0.23 0.00 0.00 178.00 178.41 2gtl h ALA 60 N 1.90 0.28 -0.37 -0.56 0.00 -1.91 0.28 119.26 118.87 2gtl h ALA 60 Ca 0.53 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.47 2gtl h ALA 60 Cb 1.02 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2gtl h ALA 60 CO -0.85 -0.47 -0.38 0.35 0.00 0.00 0.00 179.25 177.90 2gtl h PHE 61 N -0.03 1.08 -0.59 0.00 3.57 -0.84 -1.26 116.94 118.88 2gtl h PHE 61 Ca 0.23 -0.32 0.09 0.00 3.53 0.00 0.00 57.97 61.50 2gtl h PHE 61 Cb 0.38 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 2gtl h PHE 61 CO -0.43 1.14 0.21 0.82 -2.23 0.00 0.00 178.31 177.82 2gtl h ILE 62 N 0.74 0.77 0.77 1.41 1.08 0.63 0.45 117.51 123.35 2gtl h ILE 62 Ca 0.06 -0.13 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2gtl h ILE 62 Cb 0.97 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 2gtl h ILE 62 CO 0.09 0.07 -0.42 0.00 -0.69 0.00 0.00 178.15 177.20 2gtl h ALA 63 N 1.41 -1.26 -0.92 1.87 0.00 -0.31 -0.82 119.26 119.22 2gtl h ALA 63 Ca 0.29 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2gtl h ALA 63 Cb 0.36 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 2gtl h ALA 63 CO -0.30 -1.21 -0.50 1.25 0.00 0.00 0.00 179.25 178.49 2gtl h HIS 64 N -1.10 -1.54 0.21 0.00 -0.00 -0.21 0.51 115.15 113.02 2gtl h HIS 64 Ca -0.10 0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2gtl h HIS 64 Cb 0.86 0.80 -0.03 0.00 -0.00 0.00 0.00 27.41 29.05 2gtl h HIS 64 CO -0.03 -0.39 -0.38 0.00 -0.00 0.00 0.00 177.93 177.13 2gtl h ALA 65 N 0.80 -0.95 -0.87 5.26 0.00 0.00 0.26 119.26 123.76 2gtl h ALA 65 Ca 0.22 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.28 2gtl h ALA 65 Cb 0.50 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2gtl h ALA 65 CO -0.91 -1.01 0.67 0.22 0.00 0.00 0.00 179.25 178.22 2gtl h ASP 66 N -0.62 0.00 0.44 0.00 1.82 -0.25 0.35 116.42 118.16 2gtl h ASP 66 Ca -0.02 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.39 2gtl h ASP 66 Cb 0.59 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.59 2gtl h ASP 66 CO -0.14 0.00 -0.96 -0.09 -1.61 0.00 0.00 179.24 176.44 2gtl h ARG 67 N 0.00 0.33 0.24 0.28 2.43 0.20 -2.83 114.38 115.03 2gtl h ARG 67 Ca 0.41 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2gtl h ARG 67 Cb 1.75 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 2gtl h ARG 67 CO -0.00 1.08 -0.11 0.28 -1.51 0.00 0.00 179.97 179.70 2gtl h VAL 68 N 0.18 0.76 -1.01 0.20 2.07 0.30 -2.85 116.25 115.90 2gtl h VAL 68 Ca -0.08 -0.85 0.24 0.00 0.82 0.00 0.00 66.70 66.83 2gtl h VAL 68 Cb 1.60 1.19 -0.11 0.00 -1.52 0.00 0.00 31.29 32.46 2gtl h VAL 68 CO 0.16 0.16 0.62 -0.07 0.02 0.00 0.00 177.57 178.47 2gtl h LEU 69 N -0.80 0.61 -0.57 2.57 -0.00 -1.39 0.54 115.31 116.27 2gtl h LEU 69 Ca -0.03 0.10 0.10 0.00 -0.00 0.00 0.00 57.88 58.05 2gtl h LEU 69 Cb 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.06 2gtl h LEU 69 CO 0.05 0.15 -0.32 1.23 -0.00 0.00 0.00 178.44 179.55 2gtl h GLY 70 N 0.56 -0.08 0.99 0.83 0.00 -1.25 0.54 103.07 104.66 2gtl h GLY 70 Ca 0.60 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 48.33 2gtl h GLY 70 CO -0.37 -0.21 -0.10 -1.33 0.00 0.00 0.00 176.54 174.53 2gtl h GLY 71 N -0.16 -0.28 -0.18 4.60 0.00 -0.87 -1.25 103.07 104.92 2gtl h GLY 71 Ca 0.23 0.11 0.28 0.00 0.00 0.00 0.00 47.33 47.95 2gtl h GLY 71 CO -0.66 -0.10 0.70 -2.00 0.00 0.00 0.00 176.54 174.48 2gtl h LEU 72 N -0.29 0.37 0.50 3.11 5.85 -0.57 0.12 115.31 124.40 2gtl h LEU 72 Ca -0.03 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2gtl h LEU 72 Cb 0.22 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2gtl h LEU 72 CO 0.05 0.06 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.19 2gtl h ASP 73 N 0.32 -0.57 -0.91 1.25 -0.00 0.11 -0.45 116.42 116.18 2gtl h ASP 73 Ca 0.59 0.02 0.23 0.00 -0.00 0.00 0.00 57.03 57.87 2gtl h ASP 73 Cb 1.64 0.15 -0.16 0.00 -0.00 0.00 0.00 39.33 40.95 2gtl h ASP 73 CO -0.25 -0.39 0.03 0.40 -0.00 0.00 0.00 179.24 179.03 2gtl h ILE 74 N -0.70 0.15 0.00 2.25 2.04 -0.16 0.56 117.51 121.66 2gtl h ILE 74 Ca -0.07 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2gtl h ILE 74 Cb 0.52 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2gtl h ILE 74 CO 0.11 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2gtl n ALA 75 N -3.05 -0.36 -0.13 1.87 0.00 0.18 -2.55 120.51 116.46 2gtl n ALA 75 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 2gtl n ALA 75 Cb 0.65 0.11 0.01 0.00 0.00 0.00 0.00 19.45 20.23 2gtl n ALA 75 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gtl h ILE 76 N 0.00 0.35 0.00 0.00 2.04 -0.23 -0.28 117.51 119.39 2gtl h ILE 76 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2gtl h ILE 76 Cb 0.00 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2gtl h ILE 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.61 2gtl n SER 77 N -5.40 0.00 -0.79 1.72 3.41 0.19 -0.90 113.62 111.85 2gtl n SER 77 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.66 2gtl n SER 77 Cb 0.31 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2gtl n SER 77 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2gtl n THR 78 N -0.84 0.24 0.55 6.66 -2.24 -0.12 -4.79 114.28 113.74 2gtl n THR 78 Ca 0.00 -0.63 0.06 0.00 -2.27 0.00 0.00 64.05 61.20 2gtl n THR 78 Cb 0.00 0.57 0.29 0.00 -2.10 0.00 0.00 70.33 69.10 2gtl n THR 78 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gtl n LEU 79 N 0.00 0.00 -0.99 3.22 4.77 -0.08 -1.42 117.00 122.51 2gtl n LEU 79 Ca 0.04 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 2gtl n LEU 79 Cb 0.84 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.88 2gtl n LEU 79 CO -0.01 -0.18 0.71 -0.90 -1.33 0.00 0.00 177.39 175.67 2gtl n ASP 80 N -1.30 3.81 -3.11 -1.43 5.75 -1.26 -4.59 116.55 114.42 2gtl n ASP 80 Ca 0.05 -2.55 -0.20 0.00 -0.01 0.00 0.00 54.79 52.08 2gtl n ASP 80 Cb 0.10 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.70 2gtl n ASP 80 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gtl n GLN 81 N 0.21 0.81 -0.29 0.11 6.02 -0.51 -5.00 117.38 118.73 2gtl n GLN 81 Ca 0.19 -3.01 0.19 0.00 -0.01 0.00 0.00 57.00 54.36 2gtl n GLN 81 Cb 0.75 -1.36 0.35 0.00 1.02 0.00 0.00 30.24 31.00 2gtl n GLN 81 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2gtl n PRO 82 N 1.08 -0.06 0.06 -1.09 -0.04 -1.26 -0.84 135.00 132.84 2gtl n PRO 82 Ca 0.20 1.26 -0.15 0.00 -0.04 0.00 0.00 63.50 64.77 2gtl n PRO 82 Cb 0.59 -2.10 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 2gtl n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gtl h ALA 83 N 1.73 -0.92 0.33 0.55 0.00 -1.94 0.17 119.26 119.18 2gtl h ALA 83 Ca 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2gtl h ALA 83 Cb 1.42 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2gtl h ALA 83 CO -0.76 -1.07 -0.16 1.15 0.00 0.00 0.00 179.25 178.41 2gtl h THR 84 N -0.63 0.65 -0.74 0.00 2.02 -1.34 -3.17 112.91 109.70 2gtl h THR 84 Ca 0.01 -0.56 0.12 0.00 0.77 0.00 0.00 66.41 66.74 2gtl h THR 84 Cb 0.67 0.92 -0.13 0.00 -1.74 0.00 0.00 68.15 67.88 2gtl h THR 84 CO -0.33 0.10 -0.38 0.25 0.37 0.00 0.00 175.52 175.53 2gtl h LEU 85 N -0.78 -1.36 -0.91 2.58 5.85 -1.26 0.42 115.31 119.84 2gtl h LEU 85 Ca -0.05 0.26 0.14 0.00 0.84 0.00 0.00 57.88 59.07 2gtl h LEU 85 Cb 0.51 0.67 -0.14 0.00 0.37 0.00 0.00 40.66 42.07 2gtl h LEU 85 CO 0.07 -0.30 -0.37 1.17 -0.34 0.00 0.00 178.44 178.67 2gtl n LYS 86 N -5.43 -0.23 0.28 1.25 3.00 0.04 -0.55 118.16 116.51 2gtl n LYS 86 Ca 0.06 1.40 -0.16 0.00 -0.00 0.00 0.00 58.31 59.60 2gtl n LYS 86 Cb 0.37 -2.07 -0.08 0.00 0.00 0.00 0.00 35.03 33.24 2gtl n LYS 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2gtl h GLU 87 N 0.00 -0.77 -0.29 1.64 4.57 -0.17 -0.20 114.58 119.36 2gtl h GLU 87 Ca 0.30 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.60 2gtl h GLU 87 Cb 0.53 0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 29.23 2gtl h GLU 87 CO -0.90 -0.51 -0.16 1.49 -1.18 0.00 0.00 179.01 177.75 2gtl h GLU 88 N -0.80 -0.12 -0.20 1.92 4.57 -0.30 0.30 114.58 119.95 2gtl h GLU 88 Ca -0.05 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2gtl h GLU 88 Cb 0.68 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.24 2gtl h GLU 88 CO 0.01 -0.08 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.57 2gtl h LEU 89 N -0.12 -0.40 -0.66 1.64 3.38 -0.66 0.07 115.31 118.57 2gtl h LEU 89 Ca 0.15 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2gtl h LEU 89 Cb 0.35 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2gtl h LEU 89 CO -0.36 -0.16 0.30 0.44 0.09 0.00 0.00 178.44 178.74 2gtl h ASP 90 N -0.11 0.35 -0.20 -0.43 5.19 0.01 0.36 116.42 121.60 2gtl h ASP 90 Ca 0.11 0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 2gtl h ASP 90 Cb 0.28 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 2gtl h ASP 90 CO -0.27 0.20 -0.07 -0.74 -3.12 0.00 0.00 179.24 175.24 2gtl h HIS 91 N 0.51 -0.16 0.18 4.55 2.76 0.72 -2.16 115.15 121.55 2gtl h HIS 91 Ca 0.33 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2gtl h HIS 91 Cb 0.37 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2gtl h HIS 91 CO -0.13 -0.12 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.18 2gtl h LEU 92 N -0.04 -0.32 -0.85 0.26 3.38 0.33 -2.28 115.31 115.79 2gtl h LEU 92 Ca 0.10 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.35 2gtl h LEU 92 Cb 0.19 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.88 2gtl h LEU 92 CO -0.23 -0.20 0.07 1.67 0.09 0.00 0.00 178.44 179.84 2gtl n GLN 93 N -5.25 -0.07 0.12 1.13 7.27 0.11 -0.04 117.38 120.66 2gtl n GLN 93 Ca -0.08 1.27 -0.13 0.00 0.07 0.00 0.00 57.00 58.12 2gtl n GLN 93 Cb 0.17 -2.04 -0.08 0.00 2.41 0.00 0.00 30.24 30.69 2gtl n GLN 93 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2gtl h VAL 94 N 0.00 0.86 0.00 1.69 2.07 -0.91 0.44 116.25 120.40 2gtl h VAL 94 Ca 0.54 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2gtl h VAL 94 Cb 1.18 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2gtl h VAL 94 CO -0.78 0.11 0.12 0.00 0.02 0.00 0.00 177.57 177.03 2gtl n GLN 95 N -5.11 0.07 -0.07 1.57 6.02 0.94 -2.58 117.38 118.22 2gtl n GLN 95 Ca -0.09 0.53 -0.10 0.00 -0.01 0.00 0.00 57.00 57.33 2gtl n GLN 95 Cb 0.22 -1.86 -0.07 0.00 1.02 0.00 0.00 30.24 29.55 2gtl n GLN 95 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2gtl n HIS 96 N -1.88 0.00 -1.66 1.08 8.25 -0.80 -4.94 115.22 115.27 2gtl n HIS 96 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2gtl n HIS 96 Cb 0.13 -0.57 0.01 0.00 1.12 0.00 0.00 29.99 30.68 2gtl n HIS 96 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2gtl n GLU 97 N -2.90 1.67 0.00 -0.41 0.28 0.11 -1.77 120.64 117.63 2gtl n GLU 97 Ca -0.26 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 2gtl n GLU 97 Cb 0.79 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.46 2gtl n GLU 97 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gtl n GLY 98 N 0.99 3.10 3.71 -1.84 0.00 -1.26 -4.96 105.19 104.92 2gtl n GLY 98 Ca 0.08 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2gtl n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gtl s ARG 99 N 0.00 4.49 -0.62 1.61 0.52 -0.73 -4.92 118.95 119.30 2gtl s ARG 99 Ca 0.00 1.21 -0.17 0.00 -0.52 0.00 0.00 55.73 56.25 2gtl s ARG 99 Cb 0.00 -3.47 -0.15 0.00 0.52 0.00 0.00 34.95 31.85 2gtl s ARG 99 CO 0.00 -0.05 1.83 1.63 0.02 0.00 0.00 175.30 178.73 2gtl n LYS 100 N 4.05 1.29 -3.15 3.54 5.02 -1.26 -4.86 118.16 122.79 2gtl n LYS 100 Ca 0.04 -1.49 -0.43 0.00 -2.02 0.00 0.00 58.31 54.41 2gtl n LYS 100 Cb 0.51 -2.64 -0.07 0.00 -0.02 0.00 0.00 35.03 32.81 2gtl n LYS 100 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2gtl s ILE 101 N 4.88 4.87 0.46 -0.18 1.01 -1.26 -5.05 121.20 125.93 2gtl s ILE 101 Ca 0.49 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 2gtl s ILE 101 Cb 0.12 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2gtl s ILE 101 CO 0.10 -0.68 1.15 -2.16 0.00 0.00 0.00 174.94 173.35 2gtl s PRO 102 N 2.68 3.76 0.18 2.79 0.04 -1.26 -4.87 135.00 138.32 2gtl s PRO 102 Ca 0.18 1.72 0.11 0.00 0.04 0.00 0.00 61.00 63.05 2gtl s PRO 102 Cb -0.17 -2.37 0.58 0.00 0.04 0.00 0.00 34.50 32.59 2gtl s PRO 102 CO 0.15 -0.54 1.28 -0.25 0.04 0.00 0.00 177.00 177.69 2gtl n ASP 103 N -0.54 0.28 0.02 6.66 10.43 -1.26 -1.20 116.55 130.94 2gtl n ASP 103 Ca 0.08 0.59 -0.12 0.00 2.57 0.00 0.00 54.79 57.90 2gtl n ASP 103 Cb 0.49 -0.60 -0.07 0.00 1.84 0.00 0.00 41.12 42.77 2gtl n ASP 103 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 2gtl h ASN 104 N 0.00 0.02 0.36 -2.24 -1.24 -2.00 -2.73 115.58 107.75 2gtl h ASN 104 Ca 0.00 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 2gtl h ASN 104 Cb 0.16 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2gtl h ASN 104 CO 0.00 0.12 -0.17 1.88 -1.29 0.00 0.00 177.43 177.97 2gtl h TYR 105 N -0.08 -0.45 -0.96 0.67 0.99 -1.52 -2.89 116.97 112.74 2gtl h TYR 105 Ca 0.01 -0.01 0.27 0.00 2.00 0.00 0.00 58.73 61.00 2gtl h TYR 105 Cb 0.10 0.15 -0.14 0.00 1.00 0.00 0.00 36.73 37.84 2gtl h TYR 105 CO -0.04 -0.17 0.47 0.74 -0.00 0.00 0.00 178.16 179.16 2gtl h PHE 106 N -0.68 0.77 -0.01 4.88 -1.00 -1.61 0.22 116.94 119.50 2gtl h PHE 106 Ca -0.05 0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.79 2gtl h PHE 106 Cb 0.48 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.83 2gtl h PHE 106 CO -0.01 -0.12 -0.12 0.22 -1.61 0.00 0.00 178.31 176.67 2gtl h ASP 107 N 0.36 -0.36 -0.23 2.17 3.58 -1.30 -0.50 116.42 120.14 2gtl h ASP 107 Ca 0.65 0.06 0.01 0.00 0.42 0.00 0.00 57.03 58.16 2gtl h ASP 107 Cb 1.36 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 2gtl h ASP 107 CO -0.58 -0.17 0.14 0.00 -2.88 0.00 0.00 179.24 175.74 2gtl h ALA 108 N 0.77 0.29 -0.70 -0.78 0.00 -0.44 -1.48 119.26 116.92 2gtl h ALA 108 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2gtl h ALA 108 Cb 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2gtl h ALA 108 CO -0.13 -0.26 0.46 0.35 0.00 0.00 0.00 179.25 179.67 2gtl h PHE 109 N 0.29 0.72 0.28 0.00 3.04 -0.78 0.37 116.94 120.86 2gtl h PHE 109 Ca 0.09 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2gtl h PHE 109 Cb -0.01 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.26 2gtl h PHE 109 CO -0.07 0.38 -0.13 -0.22 -2.02 0.00 0.00 178.31 176.24 2gtl h LYS 110 N 0.71 -0.36 -0.50 1.11 3.64 -0.54 -1.38 116.57 119.25 2gtl h LYS 110 Ca 0.30 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 2gtl h LYS 110 Cb 0.28 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 2gtl h LYS 110 CO -0.10 -0.07 -0.17 1.15 -2.27 0.00 0.00 179.45 177.99 2gtl h THR 111 N -0.65 0.42 -0.03 1.00 2.02 -0.42 0.14 112.91 115.40 2gtl h THR 111 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2gtl h THR 111 Cb 0.46 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2gtl h THR 111 CO 0.06 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.66 2gtl h ALA 112 N 1.38 -0.72 -0.74 6.16 0.00 -0.12 0.71 119.26 125.93 2gtl h ALA 112 Ca 0.24 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2gtl h ALA 112 Cb 0.42 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2gtl h ALA 112 CO -0.54 -0.81 -0.48 0.82 0.00 0.00 0.00 179.25 178.24 2gtl h ILE 113 N -0.34 0.04 -0.25 0.00 2.04 -0.15 -0.42 117.51 118.42 2gtl h ILE 113 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2gtl h ILE 113 Cb 0.38 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 2gtl h ILE 113 CO -0.21 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.66 2gtl h LEU 114 N -0.15 -0.69 -0.54 1.44 4.07 -0.17 0.19 115.31 119.46 2gtl h LEU 114 Ca 0.19 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.31 2gtl h LEU 114 Cb 0.54 0.33 -0.04 0.00 1.08 0.00 0.00 40.66 42.58 2gtl h LEU 114 CO -0.80 -0.25 0.32 0.45 -1.08 0.00 0.00 178.44 177.09 2gtl h HIS 115 N -0.21 0.61 0.30 1.13 3.86 0.27 -0.46 115.15 120.65 2gtl h HIS 115 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2gtl h HIS 115 Cb 0.42 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2gtl h HIS 115 CO -0.38 0.35 -0.14 0.28 0.86 0.00 0.00 177.93 178.90 2gtl h VAL 116 N 0.64 0.73 -0.72 2.45 2.07 -0.64 -1.46 116.25 119.32 2gtl h VAL 116 Ca 0.22 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 67.50 2gtl h VAL 116 Cb 0.02 0.95 -0.11 0.00 -1.52 0.00 0.00 31.29 30.63 2gtl h VAL 116 CO -0.10 0.08 0.14 0.58 0.02 0.00 0.00 177.57 178.29 2gtl h VAL 117 N -0.62 0.50 -0.92 2.57 2.07 -0.50 0.16 116.25 119.52 2gtl h VAL 117 Ca -0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2gtl h VAL 117 Cb 0.44 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2gtl h VAL 117 CO 0.07 0.04 0.57 0.00 0.02 0.00 0.00 177.57 178.27 2gtl h ALA 118 N 1.61 1.17 -0.54 1.67 0.00 -0.93 0.12 119.26 122.35 2gtl h ALA 118 Ca 0.40 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2gtl h ALA 118 Cb 0.68 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2gtl h ALA 118 CO -0.52 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.38 2gtl h ALA 119 N 1.31 1.08 -0.02 0.00 0.00 0.29 -2.70 119.26 119.21 2gtl h ALA 119 Ca 0.33 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 2gtl h ALA 119 Cb -0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2gtl h ALA 119 CO -0.06 0.59 -0.92 1.96 0.00 0.00 0.00 179.25 180.82 2gtl h GLN 120 N 0.83 0.49 -0.00 0.00 1.08 0.14 -3.29 115.11 114.35 2gtl h GLN 120 Ca 0.17 -0.50 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2gtl h GLN 120 Cb 0.42 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2gtl h GLN 120 CO 0.01 1.14 -0.20 1.28 -0.95 0.00 0.00 178.83 180.11 2gtl n LEU 121 N -3.79 0.38 0.00 1.46 4.77 0.32 -4.95 117.00 115.19 2gtl n LEU 121 Ca -0.07 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2gtl n LEU 121 Cb 0.82 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2gtl n LEU 121 CO 0.52 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2gtl n GLY 122 N 1.41 1.01 0.05 -0.72 0.00 -1.03 -3.59 105.19 102.32 2gtl n GLY 122 Ca 0.10 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.46 2gtl n GLY 122 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2gtl n ARG 123 N 0.00 0.21 -2.72 1.61 0.00 -1.26 -4.90 116.66 109.60 2gtl n ARG 123 Ca 0.00 0.05 -0.42 0.00 -0.00 0.00 0.00 57.85 57.48 2gtl n ARG 123 Cb 0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 32.46 31.27 2gtl n ARG 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gtl s TYR 125 N 4.21 -0.91 -0.33 0.00 6.14 -1.26 -4.93 117.35 120.28 2gtl s TYR 125 Ca 0.36 1.58 -0.19 0.00 0.64 0.00 0.00 57.07 59.46 2gtl s TYR 125 Cb -0.05 0.54 -0.01 0.00 0.42 0.00 0.00 41.96 42.86 2gtl s TYR 125 CO -0.03 -0.45 0.58 0.34 0.64 0.00 0.00 175.55 176.63 2gtl s ASP 126 N 2.56 6.42 0.01 4.32 -1.08 -1.26 -4.98 116.67 122.66 2gtl s ASP 126 Ca -0.04 0.23 -0.22 0.00 -0.52 0.00 0.00 52.55 52.00 2gtl s ASP 126 Cb -0.08 -2.31 -0.12 0.00 -1.46 0.00 0.00 42.92 38.95 2gtl s ASP 126 CO -0.18 -0.49 1.02 -0.09 0.52 0.00 0.00 175.17 175.95 2gtl h ARG 127 N 8.32 -0.77 -0.92 4.34 2.43 -2.00 -3.03 114.38 122.76 2gtl h ARG 127 Ca -0.27 0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.11 2gtl h ARG 127 Cb 1.12 0.17 -0.16 0.00 -0.42 0.00 0.00 29.97 30.68 2gtl h ARG 127 CO 0.79 -0.51 -0.31 0.93 -1.51 0.00 0.00 179.97 179.36 2gtl h GLU 128 N -1.06 -0.02 -0.16 0.20 5.08 -1.99 0.07 114.58 116.70 2gtl h GLU 128 Ca -0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2gtl h GLU 128 Cb 0.61 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2gtl h GLU 128 CO 0.13 -0.01 -0.32 0.00 -1.00 0.00 0.00 179.01 177.81 2gtl h ALA 129 N 1.60 -0.35 0.30 3.43 0.00 -1.93 0.16 119.26 122.46 2gtl h ALA 129 Ca 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2gtl h ALA 129 Cb 0.63 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gtl h ALA 129 CO -0.94 -0.79 -0.18 -1.49 0.00 0.00 0.00 179.25 175.86 2gtl h TRP 130 N -0.38 -0.46 -0.68 0.00 4.06 -1.02 -1.36 115.95 116.11 2gtl h TRP 130 Ca 0.10 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.15 2gtl h TRP 130 Cb 0.54 0.16 -0.12 0.00 -1.00 0.00 0.00 29.16 28.75 2gtl h TRP 130 CO -0.42 -0.28 -0.40 0.22 -3.56 0.00 0.00 178.44 174.00 2gtl h ASP 131 N -0.46 -1.40 -0.40 -3.49 1.82 -0.55 0.43 116.42 112.37 2gtl h ASP 131 Ca -0.03 0.26 0.07 0.00 -0.39 0.00 0.00 57.03 56.94 2gtl h ASP 131 Cb 0.37 0.67 -0.07 0.00 0.68 0.00 0.00 39.33 40.99 2gtl h ASP 131 CO 0.04 -0.31 -0.01 0.00 -1.61 0.00 0.00 179.24 177.35 2gtl h ALA 132 N 0.89 0.36 -0.07 -0.78 0.00 -0.32 -1.02 119.26 118.31 2gtl h ALA 132 Ca 0.23 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 2gtl h ALA 132 Cb 0.56 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2gtl h ALA 132 CO -0.75 -0.40 -0.52 0.00 0.00 0.00 0.00 179.25 177.58 2gtl h ILE 134 N 0.04 0.96 0.69 0.00 1.08 -0.15 0.12 117.51 120.25 2gtl h ILE 134 Ca -0.04 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2gtl h ILE 134 Cb 1.18 0.16 0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2gtl h ILE 134 CO 0.11 0.13 -0.33 -0.78 -0.69 0.00 0.00 178.15 176.59 2gtl h ASP 135 N 0.74 -0.78 -1.07 1.72 3.58 -1.07 0.71 116.42 120.25 2gtl h ASP 135 Ca 0.36 0.03 0.29 0.00 0.42 0.00 0.00 57.03 58.13 2gtl h ASP 135 Cb 0.41 0.20 -0.11 0.00 1.72 0.00 0.00 39.33 41.55 2gtl h ASP 135 CO -0.13 -0.53 0.66 -0.74 -2.88 0.00 0.00 179.24 175.62 2gtl h HIS 136 N -0.98 0.76 -0.28 0.28 2.76 -0.38 0.40 115.15 117.71 2gtl h HIS 136 Ca -0.09 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.98 2gtl h HIS 136 Cb 0.71 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 2gtl h HIS 136 CO 0.06 -0.01 -0.30 0.82 -1.30 0.00 0.00 177.93 177.20 2gtl h ILE 137 N 0.38 1.30 -0.49 6.26 2.04 -0.52 -2.60 117.51 123.89 2gtl h ILE 137 Ca 0.66 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 2gtl h ILE 137 Cb 1.61 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 2gtl h ILE 137 CO -0.40 0.47 0.09 -0.33 0.00 0.00 0.00 178.15 177.98 2gtl h GLU 138 N 0.44 0.81 -0.59 2.37 5.08 0.21 -2.70 114.58 120.20 2gtl h GLU 138 Ca 0.04 -0.21 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2gtl h GLU 138 Cb 0.87 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2gtl h GLU 138 CO 0.07 0.81 0.20 -0.44 -1.00 0.00 0.00 179.01 178.65 2gtl h ASP 139 N 0.69 0.18 0.01 1.42 3.32 -0.54 0.30 116.42 121.81 2gtl h ASP 139 Ca 0.15 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2gtl h ASP 139 Cb 0.38 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2gtl h ASP 139 CO 0.01 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 2gtl n GLY 140 N -1.29 -0.78 0.07 2.75 0.00 -0.98 -0.21 105.19 104.75 2gtl n GLY 140 Ca 0.08 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 2gtl n GLY 140 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gtl n ILE 141 N -2.06 0.99 -0.09 -0.61 5.41 0.93 -4.29 119.36 119.64 2gtl n ILE 141 Ca -0.01 -0.71 -0.20 0.00 1.00 0.00 0.00 62.75 62.82 2gtl n ILE 141 Cb 0.03 -0.39 -0.12 0.00 -0.71 0.00 0.00 39.64 38.45 2gtl n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2gtl h LYS 142 N 0.00 0.01 0.00 0.38 1.57 -0.49 -3.39 116.57 114.66 2gtl h LYS 142 Ca -0.39 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2gtl h LYS 142 Cb 1.87 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.19 2gtl h LYS 142 CO 0.02 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.32 2gtl n GLY 143 N 1.49 2.21 0.00 3.86 0.00 0.70 -5.02 105.19 108.43 2gtl n GLY 143 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2gtl n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gtl n HIS 144 N -0.47 -0.01 -0.10 1.61 8.25 -1.26 -4.99 115.22 118.26 2gtl n HIS 144 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2gtl n HIS 144 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2gtl n HIS 144 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70