#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 0.03 1.97 2.20 -1.26 -5.10 119.74 118.25 2gtl s LYS 2 Ca 0.00 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 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 0.06 -0.65 -0.36 0.00 0.00 175.35 174.17 2gtl s GLN 3 N -1.44 2.91 -1.16 4.03 -0.21 -1.26 -4.64 119.66 117.88 2gtl s GLN 3 Ca -0.02 -0.60 -0.20 0.00 0.02 0.00 0.00 55.36 54.56 2gtl s GLN 3 Cb -0.00 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.20 2gtl s GLN 3 CO 0.01 0.61 1.91 0.00 -2.12 0.00 0.00 175.29 175.70 2gtl n GLY 5 N 5.27 1.16 0.12 0.00 0.00 -1.26 -4.82 105.19 105.66 2gtl n GLY 5 Ca 0.48 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 0.88 1.61 2.07 -1.93 -3.22 116.25 115.66 2gtl h VAL 6 Ca 0.00 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 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 -0.42 -0.07 0.02 0.00 0.00 177.57 177.10 2gtl h LEU 7 N -0.86 -1.00 -1.59 2.57 3.38 -1.96 -2.36 115.31 113.49 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 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2gtl h LEU 7 CO 0.04 -0.66 0.70 1.05 0.09 0.00 0.00 178.44 179.66 2gtl h GLU 8 N -1.27 0.00 0.34 1.13 9.09 -1.88 0.44 114.58 122.42 2gtl h GLU 8 Ca -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.27 2gtl h GLU 8 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 2gtl h GLU 8 CO 0.20 0.00 -0.16 0.78 0.05 0.00 0.00 179.01 179.88 2gtl h GLY 9 N 0.00 -0.47 -0.34 1.06 0.00 -1.48 -2.52 103.07 99.32 2gtl h GLY 9 Ca 0.25 0.18 0.28 0.00 0.00 0.00 0.00 47.33 48.04 2gtl h GLY 9 CO -0.00 -0.17 0.55 1.41 0.00 0.00 0.00 176.54 178.32 2gtl h LEU 10 N -1.09 0.54 0.49 3.11 4.07 0.29 0.52 115.31 123.23 2gtl h LEU 10 Ca -0.05 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 2gtl h LEU 10 Cb 0.40 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2gtl h LEU 10 CO 0.08 -0.03 -0.24 0.50 -1.08 0.00 0.00 178.44 177.67 2gtl h LYS 11 N 0.43 -0.63 -0.37 1.13 3.64 -1.07 -1.29 116.57 118.40 2gtl h LYS 11 Ca 0.67 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 60.12 2gtl h LYS 11 Cb 1.41 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.35 2gtl h LYS 11 CO -0.55 -0.34 0.19 0.28 -2.27 0.00 0.00 179.45 176.76 2gtl h VAL 12 N -0.86 0.99 -0.96 2.00 2.07 -0.66 0.64 116.25 119.47 2gtl h VAL 12 Ca -0.07 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.48 2gtl h VAL 12 Cb 0.58 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2gtl h VAL 12 CO 0.11 0.07 0.61 0.50 0.02 0.00 0.00 177.57 178.88 2gtl h LYS 13 N 0.39 0.73 0.13 1.57 3.64 0.01 0.41 116.57 123.45 2gtl h LYS 13 Ca 0.16 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2gtl h LYS 13 Cb 0.06 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2gtl h LYS 13 CO -0.10 0.48 -0.06 1.03 -2.27 0.00 0.00 179.45 178.52 2gtl h SER 14 N 0.75 -0.15 -0.81 4.20 0.87 -0.40 -3.00 113.55 115.02 2gtl h SER 14 Ca 0.51 -0.39 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2gtl h SER 14 Cb 0.79 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2gtl h SER 14 CO -0.27 0.45 0.53 -0.33 -0.53 0.00 0.00 176.83 176.68 2gtl h GLU 15 N -0.90 0.82 -0.79 2.24 5.08 -0.50 0.14 114.58 120.68 2gtl h GLU 15 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2gtl h GLU 15 Cb 0.53 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2gtl h GLU 15 CO 0.03 0.55 0.43 2.35 -1.00 0.00 0.00 179.01 181.36 2gtl h TRP 16 N 0.85 1.09 -0.71 4.33 2.91 -0.26 -1.14 115.95 123.02 2gtl h TRP 16 Ca 0.36 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.47 2gtl h TRP 16 Cb 0.29 -0.35 -0.08 0.00 -0.51 0.00 0.00 29.16 28.51 2gtl h TRP 16 CO -0.00 0.76 0.29 0.78 -1.03 0.00 0.00 178.44 179.23 2gtl h GLY 17 N 1.14 1.04 0.78 2.65 0.00 -0.56 0.21 103.07 108.34 2gtl h GLY 17 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 2gtl h GLY 17 CO -0.04 -0.05 -0.24 3.21 0.00 0.00 0.00 176.54 179.42 2gtl h ARG 18 N 0.46 0.42 -0.52 4.80 3.08 -1.19 -2.96 114.38 118.47 2gtl h ARG 18 Ca 0.37 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 2gtl h ARG 18 Cb 0.51 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2gtl h ARG 18 CO -0.36 0.85 -0.07 0.00 -1.07 0.00 0.00 179.97 179.32 2gtl h ALA 19 N 0.57 0.71 0.86 0.04 0.00 -0.71 -3.25 119.26 117.49 2gtl h ALA 19 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2gtl h ALA 19 Cb 0.81 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2gtl h ALA 19 CO 0.05 0.59 -0.42 -0.92 0.00 0.00 0.00 179.25 178.56 2gtl h TYR 20 N 0.84 -1.08 -0.27 0.00 -0.00 -0.68 -3.48 116.97 112.30 2gtl h TYR 20 Ca 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.84 2gtl h TYR 20 Cb 0.62 0.36 0.00 0.00 -0.00 0.00 0.00 36.73 37.70 2gtl h TYR 20 CO 0.04 -0.66 0.00 0.41 -0.00 0.00 0.00 178.16 177.95 2gtl n GLY 21 N -1.46 0.51 3.71 1.82 0.00 -1.12 -4.21 105.19 104.43 2gtl n GLY 21 Ca -0.15 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 0.23 1.88 1.61 1.04 -1.26 -4.80 113.70 108.40 2gtl s SER 22 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2gtl s SER 22 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2gtl s SER 22 CO 0.00 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.32 2gtl n GLY 23 N -0.52 3.94 0.14 7.32 0.00 -1.26 -2.80 105.19 112.00 2gtl n GLY 23 Ca -0.05 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 0.62 -0.99 1.61 3.86 -1.99 -2.82 115.15 115.44 2gtl h HIS 24 Ca 0.00 -0.36 0.32 0.00 -1.16 0.00 0.00 60.37 59.17 2gtl h HIS 24 Cb 0.00 -0.06 -0.15 0.00 1.06 0.00 0.00 27.41 28.26 2gtl h HIS 24 CO 0.00 1.20 0.52 -0.44 0.86 0.00 0.00 177.93 180.07 2gtl h ASP 25 N -0.14 0.42 0.57 2.45 5.19 -1.89 0.74 116.42 123.76 2gtl h ASP 25 Ca -0.10 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2gtl h ASP 25 Cb 1.42 0.17 0.01 0.00 0.18 0.00 0.00 39.33 41.11 2gtl h ASP 25 CO 0.13 -0.17 -0.28 -0.09 -3.12 0.00 0.00 179.24 175.71 2gtl h ARG 26 N 0.27 -0.74 -0.54 3.56 2.43 -1.54 0.61 114.38 118.42 2gtl h ARG 26 Ca 0.72 0.05 0.16 0.00 -0.81 0.00 0.00 59.98 60.10 2gtl h ARG 26 Cb 1.66 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.36 2gtl h ARG 26 CO -0.63 -0.46 0.73 1.49 -1.51 0.00 0.00 179.97 179.58 2gtl h GLU 27 N -1.15 0.00 0.00 0.20 4.81 -0.69 0.15 114.58 117.89 2gtl h GLU 27 Ca -0.08 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.91 2gtl h GLU 27 Cb 0.62 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2gtl h GLU 27 CO 0.13 0.00 -1.45 0.00 -0.73 0.00 0.00 179.01 176.96 2gtl n ALA 28 N -2.20 0.84 -0.36 2.92 0.00 -0.03 -3.03 120.51 118.66 2gtl n ALA 28 Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 53.44 52.94 2gtl n ALA 28 Cb 0.92 -0.26 0.11 0.00 0.00 0.00 0.00 19.45 20.22 2gtl n ALA 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2gtl h PHE 29 N -1.00 -0.66 0.02 0.00 3.57 0.19 0.86 116.94 119.92 2gtl h PHE 29 Ca -0.36 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 2gtl h PHE 29 Cb 1.24 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.42 2gtl h PHE 29 CO -0.03 -0.42 -0.01 0.66 -2.23 0.00 0.00 178.31 176.28 2gtl h SER 30 N -0.00 -0.03 -0.42 0.41 4.64 -1.23 -2.02 113.55 114.91 2gtl h SER 30 Ca 0.44 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.60 2gtl h SER 30 Cb 0.69 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.70 2gtl h SER 30 CO -1.00 0.19 -0.53 1.56 -0.87 0.00 0.00 176.83 176.18 2gtl h GLN 31 N -0.24 -0.34 -0.50 4.77 1.08 0.11 -0.14 115.11 119.86 2gtl h GLN 31 Ca -0.00 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.32 2gtl h GLN 31 Cb 0.23 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.63 2gtl h GLN 31 CO 0.01 -0.22 -0.18 0.00 -0.95 0.00 0.00 178.83 177.48 2gtl h ALA 32 N -0.09 0.22 -0.15 3.87 0.00 0.50 -0.89 119.26 122.71 2gtl h ALA 32 Ca 0.07 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2gtl h ALA 32 Cb 0.55 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2gtl h ALA 32 CO -0.58 -0.51 -0.15 0.82 0.00 0.00 0.00 179.25 178.83 2gtl h ILE 33 N -0.07 0.60 -0.74 0.00 2.04 -0.53 -0.90 117.51 117.91 2gtl h ILE 33 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2gtl h ILE 33 Cb 0.44 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2gtl h ILE 33 CO -0.55 0.00 0.37 -0.50 0.00 0.00 0.00 178.15 177.47 2gtl h TRP 34 N -0.17 1.05 -0.85 1.37 4.06 -0.29 -0.37 115.95 120.74 2gtl h TRP 34 Ca 0.10 -0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.05 2gtl h TRP 34 Cb 0.32 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 2gtl h TRP 34 CO -0.27 0.76 0.54 0.00 -3.56 0.00 0.00 178.44 175.91 2gtl h ARG 35 N 1.03 0.99 -0.45 0.49 3.08 -0.73 0.13 114.38 118.92 2gtl h ARG 35 Ca 0.25 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 2gtl h ARG 35 Cb 0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2gtl h ARG 35 CO -0.03 0.66 -0.07 0.00 -1.07 0.00 0.00 179.97 179.46 2gtl h ALA 36 N 1.37 1.04 0.63 0.04 0.00 -0.63 -0.92 119.26 120.80 2gtl h ALA 36 Ca 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2gtl h ALA 36 Cb 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2gtl h ALA 36 CO -0.14 0.59 -0.30 1.15 0.00 0.00 0.00 179.25 180.55 2gtl h THR 37 N 0.72 0.13 -0.47 0.00 2.02 0.45 -2.85 112.91 112.90 2gtl h THR 37 Ca 0.13 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 67.02 2gtl h THR 37 Cb 0.53 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2gtl h THR 37 CO 0.03 0.02 0.32 -0.26 0.37 0.00 0.00 175.52 176.00 2gtl h PHE 38 N -1.16 0.37 -0.18 3.16 0.05 -0.82 0.29 116.94 118.65 2gtl h PHE 38 Ca -0.09 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.66 2gtl h PHE 38 Cb 0.68 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 38.50 2gtl h PHE 38 CO 0.00 0.20 -0.11 0.00 -0.18 0.00 0.00 178.31 178.22 2gtl h ALA 39 N 1.75 1.48 0.02 2.45 0.00 -1.13 -1.77 119.26 122.06 2gtl h ALA 39 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gtl h ALA 39 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2gtl h ALA 39 CO -0.05 0.36 -0.01 1.96 0.00 0.00 0.00 179.25 181.52 2gtl h GLN 40 N 0.27 -0.02 -2.65 0.00 4.20 -0.72 -3.40 115.11 112.79 2gtl h GLN 40 Ca 0.06 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.16 2gtl h GLN 40 Cb 0.36 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.74 2gtl h GLN 40 CO 0.02 0.68 -0.70 1.33 -0.67 0.00 0.00 178.83 179.49 2gtl n VAL 41 N -4.75 1.06 0.12 -0.54 0.24 -0.79 -4.93 118.33 108.73 2gtl n VAL 41 Ca -0.09 -4.60 0.20 0.00 -2.04 0.00 0.00 64.34 57.81 2gtl n VAL 41 Cb 0.35 -2.05 0.73 0.00 -1.47 0.00 0.00 33.84 31.41 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 5.04 0.00 -0.91 7.34 0.13 -1.55 -0.46 132.00 141.60 2gtl h PRO 42 Ca 0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.45 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 0.51 0.93 -0.23 0.00 0.00 178.00 179.87 2gtl h GLU 43 N 0.00 0.71 0.00 0.86 4.39 -1.92 -1.84 114.58 116.79 2gtl h GLU 43 Ca 0.18 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2gtl h GLU 43 Cb 1.12 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2gtl h GLU 43 CO -0.00 0.47 0.00 0.66 -1.16 0.00 0.00 179.01 178.98 2gtl h SER 44 N 0.73 0.00 -0.67 1.42 4.64 -1.44 -2.96 113.55 115.27 2gtl h SER 44 Ca 0.49 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.95 2gtl h SER 44 Cb 0.65 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 2gtl h SER 44 CO -0.34 0.00 0.46 0.03 -0.87 0.00 0.00 176.83 176.11 2gtl h ARG 45 N 0.00 0.28 -0.16 4.77 3.08 -1.50 -1.46 114.38 119.38 2gtl h ARG 45 Ca 0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.08 2gtl h ARG 45 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2gtl h ARG 45 CO 0.00 0.18 0.15 0.66 -1.07 0.00 0.00 179.97 179.89 2gtl h SER 46 N 0.28 0.00 0.74 7.04 4.64 -1.74 -2.21 113.55 122.31 2gtl h SER 46 Ca 0.32 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 2gtl h SER 46 Cb 0.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2gtl h SER 46 CO -0.08 0.00 -0.65 -0.07 -0.87 0.00 0.00 176.83 175.17 2gtl h LEU 47 N 0.00 0.00 -3.97 5.97 4.07 -1.51 -3.16 115.31 116.70 2gtl h LEU 47 Ca 0.07 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.50 2gtl h LEU 47 Cb 0.38 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 41.82 2gtl h LEU 47 CO -0.00 0.65 0.65 0.49 -1.08 0.00 0.00 178.44 179.15 2gtl n PHE 48 N -3.67 3.01 0.22 1.13 3.01 -0.83 -4.41 117.46 115.91 2gtl n PHE 48 Ca -0.01 -2.05 0.06 0.00 1.01 0.00 0.00 57.45 56.46 2gtl n PHE 48 Cb 0.66 -1.01 0.49 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.19 0.00 -0.05 -1.08 1.63 -1.59 0.15 116.57 116.81 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 2.45 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 34.06 2gtl h LYS 49 CO 1.16 0.26 -0.41 -0.09 -3.45 0.00 0.00 179.45 176.91 2gtl h ARG 50 N 0.00 0.10 -1.91 1.90 2.43 -1.87 -3.24 114.38 111.80 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 0.51 -0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.65 2gtl h ARG 50 CO 0.03 0.50 -0.46 1.55 -1.51 0.00 0.00 179.97 180.09 2gtl n VAL 51 N -4.04 2.98 -3.80 0.20 3.14 -0.95 -4.96 118.33 110.90 2gtl n VAL 51 Ca -0.02 -5.23 -0.30 0.00 -2.96 0.00 0.00 64.34 55.84 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 -0.36 -1.49 0.56 1.45 8.25 -1.21 -3.58 115.22 118.84 2gtl n HIS 52 Ca 0.37 0.42 0.13 0.00 -0.26 0.00 0.00 57.72 58.38 2gtl n HIS 52 Cb 0.50 -2.35 0.39 0.00 1.12 0.00 0.00 29.99 29.64 2gtl n HIS 52 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2gtl h GLY 53 N -0.86 0.00 1.09 -1.41 0.00 -0.94 -3.21 103.07 97.74 2gtl h GLY 53 Ca -0.58 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 2gtl h GLY 53 CO 0.37 0.00 0.18 1.29 0.00 0.00 0.00 176.54 178.38 2gtl h ASP 54 N 0.00 1.06 -3.83 0.19 2.03 -1.86 -3.37 116.42 110.64 2gtl h ASP 54 Ca 0.00 -0.22 -0.66 0.00 -0.73 0.00 0.00 57.03 55.42 2gtl h ASP 54 Cb 0.74 -0.28 -0.40 0.00 -0.83 0.00 0.00 39.33 38.56 2gtl h ASP 54 CO 0.00 1.01 -0.68 -0.62 -1.03 0.00 0.00 179.24 177.92 2gtl s ASP 55 N -6.46 4.72 0.65 4.15 2.15 -1.21 -4.97 116.67 115.70 2gtl s ASP 55 Ca -0.12 -2.35 0.27 0.00 0.43 0.00 0.00 52.55 50.78 2gtl s ASP 55 Cb 0.15 -1.65 1.44 0.00 -0.30 0.00 0.00 42.92 42.56 2gtl s ASP 55 CO 0.84 -0.36 1.82 0.00 -0.17 0.00 0.00 175.17 177.31 2gtl h THR 56 N 6.32 0.08 -0.13 1.71 1.03 -1.77 -0.56 112.91 119.59 2gtl h THR 56 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2gtl h THR 56 Cb 0.99 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2gtl h THR 56 CO 0.58 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.89 2gtl n SER 57 N -3.04 2.20 -4.72 0.00 7.64 -1.26 -4.40 113.62 110.05 2gtl n SER 57 Ca 0.01 -1.75 -0.42 0.00 1.01 0.00 0.00 58.87 57.72 2gtl n SER 57 Cb 0.51 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.85 3.53 0.30 1.43 2.46 -0.22 -4.85 115.29 116.10 2gtl s HIS 58 Ca 0.34 1.48 0.01 0.00 0.47 0.00 0.00 55.06 57.36 2gtl s HIS 58 Cb 0.20 -3.31 0.73 0.00 -0.13 0.00 0.00 32.58 30.06 2gtl s HIS 58 CO 0.30 -0.81 1.59 -1.00 -2.47 0.00 0.00 174.74 172.35 2gtl h PRO 59 N 6.23 0.04 -0.48 2.88 0.13 -1.91 0.23 132.00 139.12 2gtl h PRO 59 Ca -0.42 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 2gtl h PRO 59 Cb 1.21 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2gtl h PRO 59 CO 0.77 0.03 -0.08 0.00 -0.23 0.00 0.00 178.00 178.48 2gtl h ALA 60 N 1.93 0.36 -0.36 -0.56 0.00 -1.91 0.22 119.26 118.94 2gtl h ALA 60 Ca 0.58 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.50 2gtl h ALA 60 Cb 1.18 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2gtl h ALA 60 CO -0.86 -0.43 -0.40 0.35 0.00 0.00 0.00 179.25 177.91 2gtl h PHE 61 N 0.03 1.05 -0.64 0.00 3.57 -0.71 -1.50 116.94 118.75 2gtl h PHE 61 Ca 0.23 -0.32 0.08 0.00 3.53 0.00 0.00 57.97 61.50 2gtl h PHE 61 Cb 0.36 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 2gtl h PHE 61 CO -0.38 1.13 0.29 0.82 -2.23 0.00 0.00 178.31 177.94 2gtl h ILE 62 N 0.71 0.84 0.87 1.41 1.08 0.39 0.44 117.51 123.26 2gtl h ILE 62 Ca 0.06 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2gtl h ILE 62 Cb 0.98 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 2gtl h ILE 62 CO 0.09 0.09 -0.46 0.00 -0.69 0.00 0.00 178.15 177.19 2gtl h ALA 63 N 1.40 -1.31 -0.85 1.87 0.00 -0.45 -0.86 119.26 119.06 2gtl h ALA 63 Ca 0.31 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2gtl h ALA 63 Cb 0.33 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 2gtl h ALA 63 CO -0.26 -1.24 -0.43 1.25 0.00 0.00 0.00 179.25 178.57 2gtl h HIS 64 N -1.23 -1.26 0.36 0.00 -0.00 -0.15 0.44 115.15 113.32 2gtl h HIS 64 Ca -0.12 0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2gtl h HIS 64 Cb 0.96 0.67 -0.02 0.00 -0.00 0.00 0.00 27.41 29.02 2gtl h HIS 64 CO -0.03 -0.40 -0.40 0.00 -0.00 0.00 0.00 177.93 177.10 2gtl h ALA 65 N 1.00 -1.05 -0.75 5.26 0.00 -0.04 0.24 119.26 123.93 2gtl h ALA 65 Ca 0.26 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2gtl h ALA 65 Cb 0.55 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2gtl h ALA 65 CO -0.88 -1.08 0.61 0.22 0.00 0.00 0.00 179.25 178.12 2gtl h ASP 66 N -0.76 0.00 0.46 0.00 1.82 -0.27 0.25 116.42 117.91 2gtl h ASP 66 Ca -0.04 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.36 2gtl h ASP 66 Cb 0.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2gtl h ASP 66 CO -0.07 0.00 -1.00 -0.09 -1.61 0.00 0.00 179.24 176.47 2gtl h ARG 67 N 0.00 0.33 0.30 0.28 2.43 0.14 -2.89 114.38 114.97 2gtl h ARG 67 Ca 0.35 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2gtl h ARG 67 Cb 1.57 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2gtl h ARG 67 CO -0.00 1.10 -0.14 0.28 -1.51 0.00 0.00 179.97 179.69 2gtl h VAL 68 N 0.17 0.60 -1.03 0.20 2.07 0.27 -2.90 116.25 115.62 2gtl h VAL 68 Ca -0.08 -0.76 0.26 0.00 0.82 0.00 0.00 66.70 66.93 2gtl h VAL 68 Cb 1.66 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 32.25 2gtl h VAL 68 CO 0.17 0.13 0.64 -0.07 0.02 0.00 0.00 177.57 178.46 2gtl h LEU 69 N -0.88 0.54 -0.47 2.57 -0.00 -1.43 0.15 115.31 115.79 2gtl h LEU 69 Ca -0.04 0.11 0.09 0.00 -0.00 0.00 0.00 57.88 58.04 2gtl h LEU 69 Cb 0.52 0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 41.10 2gtl h LEU 69 CO 0.07 0.09 -0.30 1.23 -0.00 0.00 0.00 178.44 179.53 2gtl h GLY 70 N 0.47 -0.10 0.98 0.83 0.00 -1.30 0.44 103.07 104.38 2gtl h GLY 70 Ca 0.62 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 48.32 2gtl h GLY 70 CO -0.38 -0.21 -0.10 -1.33 0.00 0.00 0.00 176.54 174.53 2gtl h GLY 71 N -0.19 -0.27 -0.03 4.60 0.00 -0.66 -1.22 103.07 105.29 2gtl h GLY 71 Ca 0.20 0.11 0.26 0.00 0.00 0.00 0.00 47.33 47.90 2gtl h GLY 71 CO -0.58 -0.10 0.68 -2.00 0.00 0.00 0.00 176.54 174.54 2gtl h LEU 72 N -0.26 0.33 0.57 3.11 5.85 -0.74 0.92 115.31 125.09 2gtl h LEU 72 Ca -0.02 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2gtl h LEU 72 Cb 0.21 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2gtl h LEU 72 CO 0.03 0.08 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.16 2gtl h ASP 73 N 0.30 -0.65 -0.88 1.25 -0.00 0.99 -0.66 116.42 116.77 2gtl h ASP 73 Ca 0.54 0.02 0.22 0.00 -0.00 0.00 0.00 57.03 57.82 2gtl h ASP 73 Cb 1.56 0.17 -0.16 0.00 -0.00 0.00 0.00 39.33 40.90 2gtl h ASP 73 CO -0.20 -0.45 0.04 0.40 -0.00 0.00 0.00 179.24 179.04 2gtl h ILE 74 N -0.81 0.20 0.02 2.25 2.04 -0.25 0.62 117.51 121.58 2gtl h ILE 74 Ca -0.08 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2gtl h ILE 74 Cb 0.59 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2gtl h ILE 74 CO 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 178.15 178.28 2gtl h ALA 75 N 1.84 -0.77 -0.36 1.87 0.00 -0.69 -2.84 119.26 118.31 2gtl h ALA 75 Ca 0.51 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.49 2gtl h ALA 75 Cb 0.98 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2gtl h ALA 75 CO -0.78 -0.77 -0.19 0.82 0.00 0.00 0.00 179.25 178.33 2gtl h ILE 76 N -0.04 0.44 0.00 0.00 2.04 -0.30 -1.00 117.51 118.65 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 0.03 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 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 -5.37 0.00 -0.72 1.72 3.41 0.21 -1.10 113.62 111.77 2gtl n SER 77 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.65 2gtl n SER 77 Cb 0.28 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.85 0.29 0.51 6.66 -2.24 -0.39 -4.79 114.28 113.48 2gtl n THR 78 Ca 0.00 -0.64 0.06 0.00 -2.27 0.00 0.00 64.05 61.20 2gtl n THR 78 Cb 0.00 0.52 0.28 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.07 0.00 -1.05 3.22 4.77 -0.26 -1.31 117.00 122.30 2gtl n LEU 79 Ca 0.04 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 2gtl n LEU 79 Cb 0.81 -0.34 0.26 0.00 -2.33 0.00 0.00 43.42 41.82 2gtl n LEU 79 CO -0.01 -0.21 0.72 -0.90 -1.33 0.00 0.00 177.39 175.66 2gtl n ASP 80 N -1.34 3.91 -3.11 -1.43 5.75 -1.26 -4.59 116.55 114.49 2gtl n ASP 80 Ca 0.05 -2.53 -0.20 0.00 -0.01 0.00 0.00 54.79 52.10 2gtl n ASP 80 Cb 0.10 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 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 0.32 0.79 -0.31 0.11 6.02 -0.42 -5.00 117.38 118.89 2gtl n GLN 81 Ca 0.20 -2.99 0.18 0.00 -0.01 0.00 0.00 57.00 54.38 2gtl n GLN 81 Cb 0.76 -1.35 0.34 0.00 1.02 0.00 0.00 30.24 31.02 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 1.15 -0.07 0.02 -1.09 -0.04 -1.26 -0.92 135.00 132.79 2gtl n PRO 82 Ca 0.19 1.34 -0.14 0.00 -0.04 0.00 0.00 63.50 64.85 2gtl n PRO 82 Cb 0.58 -2.20 -0.09 0.00 -0.04 0.00 0.00 33.50 31.75 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 1.83 -0.89 0.38 0.55 0.00 -1.94 -0.28 119.26 118.90 2gtl h ALA 83 Ca 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2gtl h ALA 83 Cb 1.39 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.14 2gtl h ALA 83 CO -0.82 -1.06 -0.18 1.15 0.00 0.00 0.00 179.25 178.34 2gtl h THR 84 N -0.58 0.57 -0.80 0.00 2.02 -1.38 -3.16 112.91 109.58 2gtl h THR 84 Ca 0.02 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 66.82 2gtl h THR 84 Cb 0.65 0.80 -0.14 0.00 -1.74 0.00 0.00 68.15 67.73 2gtl h THR 84 CO -0.37 0.09 -0.37 0.25 0.37 0.00 0.00 175.52 175.49 2gtl h LEU 85 N -0.83 -1.34 -0.92 2.58 5.85 -1.25 0.51 115.31 119.91 2gtl h LEU 85 Ca -0.05 0.27 0.13 0.00 0.84 0.00 0.00 57.88 59.07 2gtl h LEU 85 Cb 0.53 0.68 -0.14 0.00 0.37 0.00 0.00 40.66 42.10 2gtl h LEU 85 CO 0.09 -0.30 -0.38 1.17 -0.34 0.00 0.00 178.44 178.67 2gtl n LYS 86 N -5.45 -0.24 0.28 1.25 3.00 -0.12 -0.43 118.16 116.44 2gtl n LYS 86 Ca 0.07 1.42 -0.17 0.00 -0.00 0.00 0.00 58.31 59.63 2gtl n LYS 86 Cb 0.38 -2.10 -0.08 0.00 0.00 0.00 0.00 35.03 33.22 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 -0.79 -0.34 1.64 4.57 0.01 0.33 114.58 120.00 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 -0.91 -0.53 -0.14 1.49 -1.18 0.00 0.00 179.01 177.74 2gtl h GLU 88 N -0.82 -0.08 -0.13 1.92 4.57 -0.22 0.26 114.58 120.08 2gtl h GLU 88 Ca -0.05 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2gtl h GLU 88 Cb 0.70 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.26 2gtl h GLU 88 CO 0.00 -0.05 -0.15 -0.07 -1.18 0.00 0.00 179.01 177.55 2gtl h LEU 89 N -0.08 -0.48 -0.70 1.64 3.38 -0.55 0.42 115.31 118.94 2gtl h LEU 89 Ca 0.17 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.34 2gtl h LEU 89 Cb 0.34 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 2gtl h LEU 89 CO -0.39 -0.20 0.31 0.44 0.09 0.00 0.00 178.44 178.68 2gtl h ASP 90 N -0.19 0.34 -0.11 -0.43 5.19 0.31 0.39 116.42 121.92 2gtl h ASP 90 Ca 0.09 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 2gtl h ASP 90 Cb 0.33 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 2gtl h ASP 90 CO -0.24 0.17 -0.09 -0.74 -3.12 0.00 0.00 179.24 175.22 2gtl h HIS 91 N 0.50 -0.22 0.05 4.55 2.76 0.68 -2.07 115.15 121.40 2gtl h HIS 91 Ca 0.36 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 2gtl h HIS 91 Cb 0.47 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 2gtl h HIS 91 CO -0.14 -0.14 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.18 2gtl h LEU 92 N -0.11 -0.27 -0.88 0.26 3.38 0.52 -2.29 115.31 115.92 2gtl h LEU 92 Ca 0.07 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.33 2gtl h LEU 92 Cb 0.21 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.90 2gtl h LEU 92 CO -0.17 -0.15 0.06 1.67 0.09 0.00 0.00 178.44 179.94 2gtl n GLN 93 N -5.22 -0.07 0.11 1.13 7.27 0.12 -0.01 117.38 120.71 2gtl n GLN 93 Ca -0.06 1.31 -0.13 0.00 0.07 0.00 0.00 57.00 58.18 2gtl n GLN 93 Cb 0.14 -2.10 -0.08 0.00 2.41 0.00 0.00 30.24 30.61 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 0.90 0.00 1.69 2.07 -0.88 0.35 116.25 120.38 2gtl h VAL 94 Ca 0.55 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2gtl h VAL 94 Cb 1.18 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2gtl h VAL 94 CO -0.81 0.12 0.11 0.00 0.02 0.00 0.00 177.57 177.00 2gtl n GLN 95 N -5.09 0.07 -0.07 1.57 6.02 0.99 -2.69 117.38 118.18 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 0.21 -1.84 -0.07 0.00 1.02 0.00 0.00 30.24 29.57 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 -1.86 0.00 -1.66 1.08 8.25 -0.77 -4.95 115.22 115.31 2gtl n HIS 96 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2gtl n HIS 96 Cb 0.12 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.88 1.77 0.00 -0.41 0.28 0.08 -1.72 120.64 117.76 2gtl n GLU 97 Ca -0.25 0.63 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 2gtl n GLU 97 Cb 0.78 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.45 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 0.95 3.09 3.72 -1.84 0.00 -1.26 -4.95 105.19 104.88 2gtl n GLY 98 Ca 0.07 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 4.51 -0.71 1.61 0.52 -0.70 -4.92 118.95 119.26 2gtl s ARG 99 Ca 0.00 1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 56.19 2gtl s ARG 99 Cb 0.00 -3.44 -0.13 0.00 0.52 0.00 0.00 34.95 31.90 2gtl s ARG 99 CO 0.00 0.05 1.90 1.63 0.02 0.00 0.00 175.30 178.90 2gtl n LYS 100 N 3.67 1.47 -3.15 3.54 5.02 -1.26 -4.86 118.16 122.58 2gtl n LYS 100 Ca 0.02 -1.58 -0.43 0.00 -2.02 0.00 0.00 58.31 54.29 2gtl n LYS 100 Cb 0.51 -2.69 -0.07 0.00 -0.02 0.00 0.00 35.03 32.76 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 4.68 4.87 0.46 -0.18 1.01 -1.26 -5.05 121.20 125.72 2gtl s ILE 101 Ca 0.49 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.73 2gtl s ILE 101 Cb 0.12 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 2gtl s ILE 101 CO 0.08 -0.68 1.13 -2.16 0.00 0.00 0.00 174.94 173.32 2gtl s PRO 102 N 2.69 3.80 0.22 2.79 0.04 -1.26 -4.87 135.00 138.40 2gtl s PRO 102 Ca 0.18 1.69 0.12 0.00 0.04 0.00 0.00 61.00 63.03 2gtl s PRO 102 Cb -0.16 -2.38 0.67 0.00 0.04 0.00 0.00 34.50 32.67 2gtl s PRO 102 CO 0.15 -0.50 1.33 -0.25 0.04 0.00 0.00 177.00 177.77 2gtl n ASP 103 N -0.51 0.32 -0.02 6.66 10.43 -1.26 -1.06 116.55 131.11 2gtl n ASP 103 Ca 0.07 0.60 -0.11 0.00 2.57 0.00 0.00 54.79 57.92 2gtl n ASP 103 Cb 0.49 -0.61 -0.06 0.00 1.84 0.00 0.00 41.12 42.78 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 0.14 0.29 -2.24 -1.24 -2.00 -2.63 115.58 107.90 2gtl h ASN 104 Ca 0.00 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 2gtl h ASN 104 Cb 0.20 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.22 2gtl h ASN 104 CO 0.00 0.22 -0.14 1.88 -1.29 0.00 0.00 177.43 178.10 2gtl h TYR 105 N 0.05 -0.36 -0.95 0.67 0.99 -1.47 -2.89 116.97 113.02 2gtl h TYR 105 Ca 0.04 -0.01 0.25 0.00 2.00 0.00 0.00 58.73 61.01 2gtl h TYR 105 Cb 0.12 0.12 -0.13 0.00 1.00 0.00 0.00 36.73 37.83 2gtl h TYR 105 CO -0.03 -0.07 0.48 0.74 -0.00 0.00 0.00 178.16 179.27 2gtl h PHE 106 N -0.62 0.79 -0.01 4.88 -1.00 -1.60 0.27 116.94 119.64 2gtl h PHE 106 Ca -0.04 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.81 2gtl h PHE 106 Cb 0.45 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 2gtl h PHE 106 CO 0.00 -0.07 -0.15 0.22 -1.61 0.00 0.00 178.31 176.70 2gtl h ASP 107 N 0.41 -0.45 -0.28 2.17 3.58 -1.28 -0.50 116.42 120.07 2gtl h ASP 107 Ca 0.63 0.07 0.01 0.00 0.42 0.00 0.00 57.03 58.16 2gtl h ASP 107 Cb 1.27 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 2gtl h ASP 107 CO -0.55 -0.21 0.15 0.00 -2.88 0.00 0.00 179.24 175.76 2gtl h ALA 108 N 0.70 0.35 -0.64 -0.78 0.00 -0.35 -1.38 119.26 117.16 2gtl h ALA 108 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2gtl h ALA 108 Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2gtl h ALA 108 CO -0.16 -0.23 0.42 0.35 0.00 0.00 0.00 179.25 179.64 2gtl h PHE 109 N 0.32 0.66 0.34 0.00 3.04 -0.66 0.28 116.94 120.92 2gtl h PHE 109 Ca 0.11 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 2gtl h PHE 109 Cb 0.01 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.31 2gtl h PHE 109 CO -0.08 0.36 -0.16 -0.22 -2.02 0.00 0.00 178.31 176.18 2gtl h LYS 110 N 0.66 -0.44 -0.54 1.11 3.64 -0.40 -1.50 116.57 119.10 2gtl h LYS 110 Ca 0.27 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 2gtl h LYS 110 Cb 0.23 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.04 2gtl h LYS 110 CO -0.08 -0.14 -0.19 1.15 -2.27 0.00 0.00 179.45 177.92 2gtl h THR 111 N -0.76 0.36 -0.06 1.00 2.02 -0.50 0.11 112.91 115.08 2gtl h THR 111 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2gtl h THR 111 Cb 0.51 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2gtl h THR 111 CO 0.08 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.69 2gtl h ALA 112 N 1.37 -0.68 -0.72 6.16 0.00 -0.30 0.38 119.26 125.46 2gtl h ALA 112 Ca 0.25 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2gtl h ALA 112 Cb 0.46 0.79 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2gtl h ALA 112 CO -0.59 -0.78 -0.46 0.82 0.00 0.00 0.00 179.25 178.24 2gtl h ILE 113 N -0.31 0.05 -0.26 0.00 2.04 -0.23 -0.17 117.51 118.63 2gtl h ILE 113 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2gtl h ILE 113 Cb 0.35 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 2gtl h ILE 113 CO -0.22 0.00 -0.23 -0.07 0.00 0.00 0.00 178.15 177.63 2gtl h LEU 114 N -0.16 -0.75 -0.50 1.44 4.07 -0.13 0.17 115.31 119.45 2gtl h LEU 114 Ca 0.20 0.14 0.02 0.00 0.08 0.00 0.00 57.88 58.32 2gtl h LEU 114 Cb 0.54 0.36 -0.03 0.00 1.08 0.00 0.00 40.66 42.61 2gtl h LEU 114 CO -0.78 -0.27 0.30 0.45 -1.08 0.00 0.00 178.44 177.06 2gtl h HIS 115 N -0.23 0.57 0.26 1.13 3.86 0.37 0.30 115.15 121.40 2gtl h HIS 115 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2gtl h HIS 115 Cb 0.45 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2gtl h HIS 115 CO -0.40 0.33 -0.12 0.28 0.86 0.00 0.00 177.93 178.88 2gtl h VAL 116 N 0.61 0.79 -0.65 2.45 2.07 -0.63 -1.19 116.25 119.71 2gtl h VAL 116 Ca 0.20 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 67.49 2gtl h VAL 116 Cb 0.00 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 2gtl h VAL 116 CO -0.08 0.08 0.08 0.58 0.02 0.00 0.00 177.57 178.25 2gtl h VAL 117 N -0.53 0.53 -1.00 2.57 2.07 -0.44 0.33 116.25 119.78 2gtl h VAL 117 Ca -0.04 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2gtl h VAL 117 Cb 0.39 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2gtl h VAL 117 CO 0.06 0.04 0.66 0.00 0.02 0.00 0.00 177.57 178.35 2gtl h ALA 118 N 1.56 1.30 -0.35 1.67 0.00 -0.78 0.13 119.26 122.79 2gtl h ALA 118 Ca 0.35 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2gtl h ALA 118 Cb 0.57 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2gtl h ALA 118 CO -0.49 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.25 2gtl h ALA 119 N 1.39 1.10 0.04 0.00 0.00 0.75 -2.80 119.26 119.73 2gtl h ALA 119 Ca 0.38 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2gtl h ALA 119 Cb -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.54 2gtl h ALA 119 CO -0.10 0.56 -1.04 1.96 0.00 0.00 0.00 179.25 180.63 2gtl h GLN 120 N 0.57 0.46 -0.00 0.00 1.08 0.63 -3.31 115.11 114.54 2gtl h GLN 120 Ca 0.10 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2gtl h GLN 120 Cb 0.57 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2gtl h GLN 120 CO 0.04 1.19 -0.14 1.28 -0.95 0.00 0.00 178.83 180.24 2gtl n LEU 121 N -3.74 0.44 0.00 1.46 4.77 0.33 -4.96 117.00 115.30 2gtl n LEU 121 Ca -0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2gtl n LEU 121 Cb 0.89 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2gtl n LEU 121 CO 0.53 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2gtl n GLY 122 N 1.33 0.78 0.07 -0.72 0.00 -1.06 -3.50 105.19 102.08 2gtl n GLY 122 Ca 0.13 0.51 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 0.19 -2.71 1.61 0.00 -1.26 -4.90 116.66 109.59 2gtl n ARG 123 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 57.85 57.47 2gtl n ARG 123 Cb 0.00 -1.13 -0.03 0.00 -0.00 0.00 0.00 32.46 31.30 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 4.26 -0.93 -0.34 0.00 6.14 -1.26 -4.93 117.35 120.29 2gtl s TYR 125 Ca 0.38 1.63 -0.19 0.00 0.64 0.00 0.00 57.07 59.53 2gtl s TYR 125 Cb -0.04 0.56 -0.00 0.00 0.42 0.00 0.00 41.96 42.89 2gtl s TYR 125 CO -0.05 -0.46 0.57 0.34 0.64 0.00 0.00 175.55 176.60 2gtl s ASP 126 N 2.49 6.38 0.01 4.32 -1.08 -1.26 -4.98 116.67 122.55 2gtl s ASP 126 Ca -0.05 0.11 -0.24 0.00 -0.52 0.00 0.00 52.55 51.85 2gtl s ASP 126 Cb -0.08 -2.30 -0.14 0.00 -1.46 0.00 0.00 42.92 38.95 2gtl s ASP 126 CO -0.18 -0.51 1.06 -0.09 0.52 0.00 0.00 175.17 175.97 2gtl h ARG 127 N 8.41 -0.85 -0.90 4.34 2.43 -2.00 -3.03 114.38 122.77 2gtl h ARG 127 Ca -0.27 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.12 2gtl h ARG 127 Cb 1.12 0.19 -0.16 0.00 -0.42 0.00 0.00 29.97 30.70 2gtl h ARG 127 CO 0.80 -0.57 -0.29 0.93 -1.51 0.00 0.00 179.97 179.33 2gtl h GLU 128 N -1.16 -0.02 -0.15 0.20 5.08 -1.99 -0.15 114.58 116.39 2gtl h GLU 128 Ca -0.09 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2gtl h GLU 128 Cb 0.68 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2gtl h GLU 128 CO 0.15 -0.01 -0.29 0.00 -1.00 0.00 0.00 179.01 177.85 2gtl h ALA 129 N 1.66 -0.30 0.38 3.43 0.00 -1.93 0.19 119.26 122.69 2gtl h ALA 129 Ca 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2gtl h ALA 129 Cb 0.64 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2gtl h ALA 129 CO -0.93 -0.76 -0.20 -1.49 0.00 0.00 0.00 179.25 175.87 2gtl h TRP 130 N -0.35 -0.53 -0.68 0.00 4.06 -1.05 -1.48 115.95 115.91 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 0.52 0.18 -0.12 0.00 -1.00 0.00 0.00 29.16 28.74 2gtl h TRP 130 CO -0.39 -0.32 -0.40 0.22 -3.56 0.00 0.00 178.44 173.99 2gtl h ASP 131 N -0.54 -1.40 -0.42 -3.49 1.82 -0.58 0.53 116.42 112.34 2gtl h ASP 131 Ca -0.05 0.26 0.08 0.00 -0.39 0.00 0.00 57.03 56.93 2gtl h ASP 131 Cb 0.43 0.67 -0.07 0.00 0.68 0.00 0.00 39.33 41.04 2gtl h ASP 131 CO 0.07 -0.31 -0.02 0.00 -1.61 0.00 0.00 179.24 177.37 2gtl h ALA 132 N 0.89 0.37 -0.06 -0.78 0.00 -0.32 -1.24 119.26 118.12 2gtl h ALA 132 Ca 0.23 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2gtl h ALA 132 Cb 0.56 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2gtl h ALA 132 CO -0.75 -0.40 -0.55 0.00 0.00 0.00 0.00 179.25 177.54 2gtl h ILE 134 N 0.04 0.97 0.64 0.00 1.08 0.04 0.31 117.51 120.60 2gtl h ILE 134 Ca -0.05 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2gtl h ILE 134 Cb 1.22 0.19 0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2gtl h ILE 134 CO 0.11 0.13 -0.31 -0.78 -0.69 0.00 0.00 178.15 176.62 2gtl h ASP 135 N 0.72 -0.73 -1.07 1.72 3.58 -1.08 0.29 116.42 119.85 2gtl h ASP 135 Ca 0.34 0.03 0.31 0.00 0.42 0.00 0.00 57.03 58.12 2gtl h ASP 135 Cb 0.38 0.19 -0.12 0.00 1.72 0.00 0.00 39.33 41.50 2gtl h ASP 135 CO -0.12 -0.50 0.66 -0.74 -2.88 0.00 0.00 179.24 175.66 2gtl h HIS 136 N -0.90 0.77 -0.28 0.28 2.76 -0.55 0.44 115.15 117.67 2gtl h HIS 136 Ca -0.09 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.98 2gtl h HIS 136 Cb 0.66 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2gtl h HIS 136 CO 0.07 -0.05 -0.33 0.82 -1.30 0.00 0.00 177.93 177.14 2gtl h ILE 137 N 0.36 1.30 -0.45 6.26 2.04 -0.66 -2.53 117.51 123.83 2gtl h ILE 137 Ca 0.68 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 2gtl h ILE 137 Cb 1.69 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 2gtl h ILE 137 CO -0.43 0.48 0.03 -0.33 0.00 0.00 0.00 178.15 177.90 2gtl h GLU 138 N 0.46 0.78 -0.56 2.37 5.08 0.19 -2.63 114.58 120.27 2gtl h GLU 138 Ca 0.04 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2gtl h GLU 138 Cb 0.92 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 2gtl h GLU 138 CO 0.08 0.82 0.16 -0.44 -1.00 0.00 0.00 179.01 178.64 2gtl h ASP 139 N 0.63 0.11 0.00 1.42 3.32 -0.57 0.39 116.42 121.72 2gtl h ASP 139 Ca 0.13 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2gtl h ASP 139 Cb 0.45 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2gtl h ASP 139 CO 0.02 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 2gtl n GLY 140 N -1.29 -0.80 0.08 2.75 0.00 -0.96 -0.29 105.19 104.68 2gtl n GLY 140 Ca 0.07 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.12 1.03 -0.08 -0.61 5.41 0.12 -4.32 119.36 118.80 2gtl n ILE 141 Ca -0.01 -0.75 -0.20 0.00 1.00 0.00 0.00 62.75 62.79 2gtl n ILE 141 Cb 0.03 -0.37 -0.12 0.00 -0.71 0.00 0.00 39.64 38.47 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 0.04 0.00 0.38 1.57 -0.33 -3.39 116.57 114.83 2gtl h LYS 142 Ca -0.41 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2gtl h LYS 142 Cb 1.92 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2gtl h LYS 142 CO 0.02 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 2gtl n GLY 143 N 1.52 2.24 0.00 3.86 0.00 0.60 -5.02 105.19 108.40 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 -0.49 -0.01 -0.13 1.61 8.25 -1.26 -4.99 115.22 118.21 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