#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 0.66 0.03 1.97 2.20 -1.26 -5.10 119.74 118.24 2gtl s LYS 2 Ca 0.00 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2gtl s LYS 2 Cb 0.00 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2gtl s LYS 2 CO 0.00 -0.22 0.07 -0.65 -0.36 0.00 0.00 175.35 174.20 2gtl s GLN 3 N -1.34 2.97 -1.17 4.03 -0.21 -1.26 -4.63 119.66 118.06 2gtl s GLN 3 Ca -0.02 -0.57 -0.20 0.00 0.02 0.00 0.00 55.36 54.59 2gtl s GLN 3 Cb -0.00 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.17 2gtl s GLN 3 CO 0.01 0.62 1.91 0.00 -2.12 0.00 0.00 175.29 175.71 2gtl n GLY 5 N 5.22 1.16 0.12 0.00 0.00 -1.26 -4.82 105.19 105.61 2gtl n GLY 5 Ca 0.48 -1.49 -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 0.93 1.61 2.07 -1.93 -3.21 116.25 115.73 2gtl h VAL 6 Ca 0.00 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 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 -0.45 -0.07 0.02 0.00 0.00 177.57 177.07 2gtl h LEU 7 N -0.86 -1.06 -1.60 2.57 3.38 -1.96 -2.33 115.31 113.44 2gtl h LEU 7 Ca -0.02 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.17 2gtl h LEU 7 Cb 0.17 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2gtl h LEU 7 CO 0.04 -0.72 0.75 1.05 0.09 0.00 0.00 178.44 179.64 2gtl h GLU 8 N -1.34 0.00 0.37 1.13 9.09 -1.88 0.43 114.58 122.38 2gtl h GLU 8 Ca -0.13 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.26 2gtl h GLU 8 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 2gtl h GLU 8 CO 0.21 0.00 -0.18 0.78 0.05 0.00 0.00 179.01 179.87 2gtl h GLY 9 N 0.00 -0.52 -0.39 1.06 0.00 -1.45 -2.42 103.07 99.35 2gtl h GLY 9 Ca 0.30 0.19 0.29 0.00 0.00 0.00 0.00 47.33 48.11 2gtl h GLY 9 CO -0.00 -0.19 0.53 1.41 0.00 0.00 0.00 176.54 178.29 2gtl h LEU 10 N -1.12 0.50 0.44 3.11 4.07 0.27 0.41 115.31 122.99 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 0.41 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2gtl h LEU 10 CO 0.08 -0.06 -0.21 0.50 -1.08 0.00 0.00 178.44 177.67 2gtl h LYS 11 N 0.39 -0.57 -0.42 1.13 3.64 -1.02 -1.46 116.57 118.26 2gtl h LYS 11 Ca 0.68 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 60.13 2gtl h LYS 11 Cb 1.46 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.38 2gtl h LYS 11 CO -0.57 -0.29 0.22 0.28 -2.27 0.00 0.00 179.45 176.83 2gtl h VAL 12 N -0.80 1.00 -0.92 2.00 2.07 -0.55 0.56 116.25 119.62 2gtl h VAL 12 Ca -0.06 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.46 2gtl h VAL 12 Cb 0.55 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 2gtl h VAL 12 CO 0.10 0.08 0.59 0.50 0.02 0.00 0.00 177.57 178.86 2gtl h LYS 13 N 0.45 0.68 0.10 1.57 3.64 -0.21 0.40 116.57 123.19 2gtl h LYS 13 Ca 0.17 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2gtl h LYS 13 Cb 0.05 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2gtl h LYS 13 CO -0.11 0.45 -0.05 1.03 -2.27 0.00 0.00 179.45 178.51 2gtl h SER 14 N 0.70 -0.11 -0.79 4.20 0.87 -0.38 -2.99 113.55 115.05 2gtl h SER 14 Ca 0.47 -0.43 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 2gtl h SER 14 Cb 0.77 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 2gtl h SER 14 CO -0.23 0.53 0.52 -0.33 -0.53 0.00 0.00 176.83 176.79 2gtl h GLU 15 N -0.92 0.77 -0.72 2.24 5.08 -0.54 0.10 114.58 120.59 2gtl h GLU 15 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2gtl h GLU 15 Cb 0.53 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2gtl h GLU 15 CO 0.02 0.51 0.35 2.35 -1.00 0.00 0.00 179.01 181.24 2gtl h TRP 16 N 0.79 1.02 -0.79 4.33 2.91 -0.29 -0.86 115.95 123.05 2gtl h TRP 16 Ca 0.35 -0.04 0.11 0.00 1.13 0.00 0.00 58.89 60.44 2gtl h TRP 16 Cb 0.33 -0.32 -0.08 0.00 -0.51 0.00 0.00 29.16 28.58 2gtl h TRP 16 CO -0.00 0.74 0.41 0.78 -1.03 0.00 0.00 178.44 179.33 2gtl h GLY 17 N 1.07 1.23 0.80 2.65 0.00 -0.63 0.21 103.07 108.40 2gtl h GLY 17 Ca 0.25 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2gtl h GLY 17 CO -0.03 0.04 -0.35 3.21 0.00 0.00 0.00 176.54 179.40 2gtl h ARG 18 N 0.65 0.46 -0.49 4.80 3.08 -1.14 -3.05 114.38 118.69 2gtl h ARG 18 Ca 0.40 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2gtl h ARG 18 Cb 0.47 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2gtl h ARG 18 CO -0.30 0.95 -0.20 0.00 -1.07 0.00 0.00 179.97 179.35 2gtl h ALA 19 N 0.51 0.68 0.77 0.04 0.00 -0.72 -3.26 119.26 117.28 2gtl h ALA 19 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2gtl h ALA 19 Cb 0.97 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2gtl h ALA 19 CO 0.08 0.66 -0.37 -0.92 0.00 0.00 0.00 179.25 178.69 2gtl h TYR 20 N 0.85 -0.96 -0.23 0.00 -0.00 -0.70 -3.48 116.97 112.44 2gtl h TYR 20 Ca 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.82 2gtl h TYR 20 Cb 0.77 0.32 0.00 0.00 -0.00 0.00 0.00 36.73 37.82 2gtl h TYR 20 CO 0.05 -0.59 0.00 0.41 -0.00 0.00 0.00 178.16 178.03 2gtl n GLY 21 N -1.45 0.60 3.70 1.82 0.00 -1.15 -4.17 105.19 104.54 2gtl n GLY 21 Ca -0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 0.24 1.89 1.61 1.04 -1.26 -4.79 113.70 108.43 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 0.76 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 -0.52 3.99 0.14 7.32 0.00 -1.26 -2.75 105.19 112.11 2gtl n GLY 23 Ca -0.05 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.64 -0.96 1.61 3.86 -1.99 -2.80 115.15 115.52 2gtl h HIS 24 Ca 0.00 -0.39 0.29 0.00 -1.16 0.00 0.00 60.37 59.12 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 1.23 0.42 -0.44 0.86 0.00 0.00 177.93 180.00 2gtl h ASP 25 N -0.13 0.26 0.67 2.45 5.19 -1.88 0.47 116.42 123.45 2gtl h ASP 25 Ca -0.11 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2gtl h ASP 25 Cb 1.48 0.21 0.01 0.00 0.18 0.00 0.00 39.33 41.20 2gtl h ASP 25 CO 0.14 -0.17 -0.32 -0.09 -3.12 0.00 0.00 179.24 175.68 2gtl h ARG 26 N 0.25 -0.86 -0.48 3.56 2.43 -1.54 0.51 114.38 118.25 2gtl h ARG 26 Ca 0.67 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 60.03 2gtl h ARG 26 Cb 1.48 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.20 2gtl h ARG 26 CO -0.65 -0.56 0.74 1.49 -1.51 0.00 0.00 179.97 179.47 2gtl h GLU 27 N -1.22 0.00 0.00 0.20 4.81 -0.72 -0.47 114.58 117.19 2gtl h GLU 27 Ca -0.09 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 2gtl h GLU 27 Cb 0.70 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2gtl h GLU 27 CO 0.15 0.00 -1.16 0.00 -0.73 0.00 0.00 179.01 177.27 2gtl n ALA 28 N -2.12 0.74 -0.33 2.92 0.00 -0.06 -3.13 120.51 118.53 2gtl n ALA 28 Ca 0.10 -0.59 0.03 0.00 0.00 0.00 0.00 53.44 52.97 2gtl n ALA 28 Cb 0.91 -0.19 0.09 0.00 0.00 0.00 0.00 19.45 20.26 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 -4.47 0.19 0.01 0.00 7.35 0.18 0.13 117.46 120.85 2gtl n PHE 29 Ca -0.25 1.08 -0.12 0.00 -0.76 0.00 0.00 57.45 57.40 2gtl n PHE 29 Cb 0.55 -0.93 -0.08 0.00 0.35 0.00 0.00 39.48 39.36 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 0.01 -0.33 -2.13 4.64 -1.39 -1.88 113.55 112.47 2gtl h SER 30 Ca 0.37 -0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2gtl h SER 30 Cb 0.59 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.60 2gtl h SER 30 CO -0.89 0.22 -0.51 1.56 -0.87 0.00 0.00 176.83 176.34 2gtl h GLN 31 N -0.20 -0.41 -0.39 4.77 1.08 0.11 -0.54 115.11 119.53 2gtl h GLN 31 Ca 0.00 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2gtl h GLN 31 Cb 0.21 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.66 2gtl h GLN 31 CO -0.00 -0.27 -0.17 0.00 -0.95 0.00 0.00 178.83 177.44 2gtl h ALA 32 N 0.05 0.13 -0.13 3.87 0.00 0.39 -1.12 119.26 122.46 2gtl h ALA 32 Ca 0.08 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2gtl h ALA 32 Cb 0.62 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2gtl h ALA 32 CO -0.54 -0.54 -0.21 0.82 0.00 0.00 0.00 179.25 178.78 2gtl h ILE 33 N -0.10 0.47 -0.73 0.00 2.04 -0.45 -1.03 117.51 117.72 2gtl h ILE 33 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 2gtl h ILE 33 Cb 0.39 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2gtl h ILE 33 CO -0.45 0.00 0.42 -0.50 0.00 0.00 0.00 178.15 177.62 2gtl h TRP 34 N -0.27 0.98 -1.00 1.37 4.06 -0.62 0.12 115.95 120.58 2gtl h TRP 34 Ca 0.10 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.09 2gtl h TRP 34 Cb 0.42 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 28.20 2gtl h TRP 34 CO -0.32 0.67 0.65 0.00 -3.56 0.00 0.00 178.44 175.89 2gtl h ARG 35 N 0.99 1.19 -0.43 0.49 3.08 -0.76 0.15 114.38 119.09 2gtl h ARG 35 Ca 0.26 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 2gtl h ARG 35 Cb 0.00 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2gtl h ARG 35 CO -0.04 0.79 -0.16 0.00 -1.07 0.00 0.00 179.97 179.49 2gtl h ALA 36 N 1.43 0.91 0.70 0.04 0.00 -0.47 -1.02 119.26 120.86 2gtl h ALA 36 Ca 0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2gtl h ALA 36 Cb 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2gtl h ALA 36 CO -0.14 0.62 -0.34 1.15 0.00 0.00 0.00 179.25 180.54 2gtl h THR 37 N 0.72 0.04 -0.52 0.00 2.02 0.55 -2.87 112.91 112.85 2gtl h THR 37 Ca 0.11 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 67.07 2gtl h THR 37 Cb 0.66 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2gtl h THR 37 CO 0.05 0.01 0.35 -0.26 0.37 0.00 0.00 175.52 176.04 2gtl h PHE 38 N -1.23 0.40 -0.20 3.16 0.05 -0.82 -0.07 116.94 118.23 2gtl h PHE 38 Ca -0.10 0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.67 2gtl h PHE 38 Cb 0.74 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.54 2gtl h PHE 38 CO 0.00 0.21 -0.04 0.00 -0.18 0.00 0.00 178.31 178.30 2gtl h ALA 39 N 1.73 1.57 0.02 2.45 0.00 -1.16 -1.45 119.26 122.41 2gtl h ALA 39 Ca 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2gtl h ALA 39 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2gtl h ALA 39 CO -0.06 0.32 -0.01 1.96 0.00 0.00 0.00 179.25 181.46 2gtl h GLN 40 N 0.29 -0.03 -2.67 0.00 4.20 -0.81 -3.40 115.11 112.69 2gtl h GLN 40 Ca 0.06 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.17 2gtl h GLN 40 Cb 0.27 0.01 -0.41 0.00 0.30 0.00 0.00 27.48 27.64 2gtl h GLN 40 CO 0.01 0.68 -0.69 1.33 -0.67 0.00 0.00 178.83 179.49 2gtl n VAL 41 N -4.74 1.13 0.09 -0.54 0.24 -0.74 -4.93 118.33 108.83 2gtl n VAL 41 Ca -0.09 -4.63 0.20 0.00 -2.04 0.00 0.00 64.34 57.78 2gtl n VAL 41 Cb 0.35 -2.06 0.72 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 5.04 0.00 -0.90 7.34 0.13 -1.49 -0.77 132.00 141.35 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 31.80 2gtl h PRO 42 CO 0.67 0.00 0.50 0.93 -0.23 0.00 0.00 178.00 179.86 2gtl h GLU 43 N 0.00 0.68 0.00 0.86 4.39 -1.92 -1.99 114.58 116.61 2gtl h GLU 43 Ca 0.20 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2gtl h GLU 43 Cb 1.23 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2gtl h GLU 43 CO -0.00 0.45 0.00 0.66 -1.16 0.00 0.00 179.01 178.96 2gtl h SER 44 N 0.70 0.00 -0.68 1.42 4.64 -1.50 -2.91 113.55 115.22 2gtl h SER 44 Ca 0.49 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.95 2gtl h SER 44 Cb 0.67 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 2gtl h SER 44 CO -0.35 0.00 0.46 0.03 -0.87 0.00 0.00 176.83 176.10 2gtl h ARG 45 N 0.00 0.30 -0.18 4.77 3.08 -1.53 -1.17 114.38 119.65 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 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2gtl h ARG 45 CO 0.00 0.20 0.18 0.66 -1.07 0.00 0.00 179.97 179.94 2gtl h SER 46 N 0.31 0.00 0.63 7.04 4.64 -1.73 -2.23 113.55 122.22 2gtl h SER 46 Ca 0.33 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 2gtl h SER 46 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2gtl h SER 46 CO -0.08 0.00 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.13 2gtl h LEU 47 N 0.00 0.04 -3.98 5.97 4.07 -1.46 -3.15 115.31 116.80 2gtl h LEU 47 Ca 0.09 -0.03 -0.55 0.00 0.08 0.00 0.00 57.88 57.47 2gtl h LEU 47 Cb 0.44 -0.01 -0.30 0.00 1.08 0.00 0.00 40.66 41.87 2gtl h LEU 47 CO -0.00 0.71 0.68 0.49 -1.08 0.00 0.00 178.44 179.24 2gtl n PHE 48 N -3.75 3.06 0.21 1.13 3.01 -0.84 -4.41 117.46 115.87 2gtl n PHE 48 Ca -0.01 -2.10 0.05 0.00 1.01 0.00 0.00 57.45 56.40 2gtl n PHE 48 Cb 0.67 -1.04 0.47 0.00 -0.01 0.00 0.00 39.48 39.56 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 1.22 0.00 -0.02 -1.08 1.63 -1.59 0.14 116.57 116.87 2gtl h LYS 49 Ca 0.62 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.33 2gtl h LYS 49 Cb 2.40 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 34.01 2gtl h LYS 49 CO 1.19 0.25 -0.40 -0.09 -3.45 0.00 0.00 179.45 176.96 2gtl h ARG 50 N 0.00 0.05 -1.82 1.90 2.43 -1.87 -3.23 114.38 111.83 2gtl h ARG 50 Ca -0.00 -0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.54 2gtl h ARG 50 Cb 0.47 -0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.62 2gtl h ARG 50 CO 0.03 0.44 -0.52 1.55 -1.51 0.00 0.00 179.97 179.96 2gtl n VAL 51 N -4.06 2.81 -3.85 0.20 3.14 -0.95 -4.96 118.33 110.66 2gtl n VAL 51 Ca -0.02 -5.14 -0.32 0.00 -2.96 0.00 0.00 64.34 55.90 2gtl n VAL 51 Cb 0.44 -1.32 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 -0.40 -1.52 0.56 1.45 8.25 -1.21 -3.50 115.22 118.86 2gtl n HIS 52 Ca 0.38 0.40 0.13 0.00 -0.26 0.00 0.00 57.72 58.37 2gtl n HIS 52 Cb 0.53 -2.44 0.39 0.00 1.12 0.00 0.00 29.99 29.59 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 -1.07 0.00 1.13 -1.41 0.00 -0.95 -3.21 103.07 97.57 2gtl h GLY 53 Ca -0.61 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 2gtl h GLY 53 CO 0.39 0.00 0.18 1.29 0.00 0.00 0.00 176.54 178.40 2gtl h ASP 54 N 0.00 1.02 -3.85 0.19 2.03 -1.86 -3.37 116.42 110.57 2gtl h ASP 54 Ca 0.00 -0.20 -0.66 0.00 -0.73 0.00 0.00 57.03 55.44 2gtl h ASP 54 Cb 0.74 -0.27 -0.40 0.00 -0.83 0.00 0.00 39.33 38.57 2gtl h ASP 54 CO 0.00 0.97 -0.69 -0.62 -1.03 0.00 0.00 179.24 177.87 2gtl s ASP 55 N -6.48 4.68 0.65 4.15 2.15 -1.21 -4.97 116.67 115.64 2gtl s ASP 55 Ca -0.12 -2.37 0.27 0.00 0.43 0.00 0.00 52.55 50.77 2gtl s ASP 55 Cb 0.15 -1.64 1.43 0.00 -0.30 0.00 0.00 42.92 42.56 2gtl s ASP 55 CO 0.84 -0.35 1.82 0.00 -0.17 0.00 0.00 175.17 177.30 2gtl h THR 56 N 6.32 0.09 -0.15 1.71 1.03 -1.77 -0.39 112.91 119.75 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 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 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 -3.07 2.25 -4.73 0.00 7.64 -1.26 -4.41 113.62 110.05 2gtl n SER 57 Ca 0.01 -1.77 -0.41 0.00 1.01 0.00 0.00 58.87 57.71 2gtl n SER 57 Cb 0.53 -0.09 -0.04 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 -1.82 3.58 0.29 1.43 2.46 -0.16 -4.85 115.29 116.23 2gtl s HIS 58 Ca 0.34 1.55 -0.01 0.00 0.47 0.00 0.00 55.06 57.41 2gtl s HIS 58 Cb 0.20 -3.27 0.64 0.00 -0.13 0.00 0.00 32.58 30.02 2gtl s HIS 58 CO 0.30 -0.62 1.60 -1.00 -2.47 0.00 0.00 174.74 172.55 2gtl h PRO 59 N 5.89 0.06 -0.43 2.88 0.13 -1.91 0.18 132.00 138.79 2gtl h PRO 59 Ca -0.43 -0.00 0.09 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 0.04 -0.18 0.00 -0.23 0.00 0.00 178.00 178.38 2gtl h ALA 60 N 1.88 0.15 -0.44 -0.56 0.00 -1.91 0.30 119.26 118.68 2gtl h ALA 60 Ca 0.53 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.46 2gtl h ALA 60 Cb 1.04 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2gtl h ALA 60 CO -0.83 -0.53 -0.26 0.35 0.00 0.00 0.00 179.25 177.98 2gtl h PHE 61 N -0.09 1.09 -0.56 0.00 3.57 -0.79 -1.17 116.94 118.99 2gtl h PHE 61 Ca 0.21 -0.28 0.09 0.00 3.53 0.00 0.00 57.97 61.52 2gtl h PHE 61 Cb 0.42 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 2gtl h PHE 61 CO -0.44 1.09 0.17 0.82 -2.23 0.00 0.00 178.31 177.72 2gtl h ILE 62 N 0.80 0.74 0.62 1.41 1.08 0.60 0.48 117.51 123.25 2gtl h ILE 62 Ca 0.09 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2gtl h ILE 62 Cb 0.84 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2gtl h ILE 62 CO 0.07 0.06 -0.41 0.00 -0.69 0.00 0.00 178.15 177.18 2gtl h ALA 63 N 1.41 -1.19 -0.91 1.87 0.00 -0.24 -0.48 119.26 119.71 2gtl h ALA 63 Ca 0.28 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2gtl h ALA 63 Cb 0.37 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.55 2gtl h ALA 63 CO -0.32 -1.17 -0.39 1.25 0.00 0.00 0.00 179.25 178.62 2gtl h HIS 64 N -0.98 -1.10 0.35 0.00 -0.00 0.09 0.48 115.15 113.99 2gtl h HIS 64 Ca -0.08 0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2gtl h HIS 64 Cb 0.79 0.61 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 2gtl h HIS 64 CO -0.09 -0.40 -0.34 0.00 -0.00 0.00 0.00 177.93 177.10 2gtl h ALA 65 N 1.26 -1.03 -0.88 5.26 0.00 0.15 0.28 119.26 124.30 2gtl h ALA 65 Ca 0.32 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.35 2gtl h ALA 65 Cb 0.58 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2gtl h ALA 65 CO -0.92 -1.05 0.70 0.22 0.00 0.00 0.00 179.25 178.20 2gtl h ASP 66 N -0.68 0.00 0.60 0.00 1.82 -0.10 0.40 116.42 118.46 2gtl h ASP 66 Ca -0.04 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.37 2gtl h ASP 66 Cb 0.59 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 2gtl h ASP 66 CO -0.03 0.00 -1.00 -0.09 -1.61 0.00 0.00 179.24 176.51 2gtl h ARG 67 N 0.00 0.23 0.25 0.28 2.43 0.16 -2.88 114.38 114.86 2gtl h ARG 67 Ca 0.42 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2gtl h ARG 67 Cb 1.82 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 2gtl h ARG 67 CO -0.00 1.06 -0.12 0.28 -1.51 0.00 0.00 179.97 179.67 2gtl h VAL 68 N 0.11 0.65 -1.03 0.20 2.07 0.33 -2.95 116.25 115.62 2gtl h VAL 68 Ca -0.07 -0.88 0.26 0.00 0.82 0.00 0.00 66.70 66.83 2gtl h VAL 68 Cb 1.67 1.05 -0.10 0.00 -1.52 0.00 0.00 31.29 32.38 2gtl h VAL 68 CO 0.16 0.15 0.65 -0.07 0.02 0.00 0.00 177.57 178.48 2gtl h LEU 69 N -0.88 0.52 -0.51 2.57 -0.00 -1.42 0.12 115.31 115.70 2gtl h LEU 69 Ca -0.03 0.10 0.10 0.00 -0.00 0.00 0.00 57.88 58.04 2gtl h LEU 69 Cb 0.51 0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 41.08 2gtl h LEU 69 CO 0.06 0.09 -0.30 1.23 -0.00 0.00 0.00 178.44 179.52 2gtl h GLY 70 N 0.46 -0.08 0.99 0.83 0.00 -1.33 0.47 103.07 104.41 2gtl h GLY 70 Ca 0.62 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 48.33 2gtl h GLY 70 CO -0.36 -0.21 -0.05 -1.33 0.00 0.00 0.00 176.54 174.59 2gtl h GLY 71 N -0.17 -0.15 -0.10 4.60 0.00 -0.75 -1.20 103.07 105.29 2gtl h GLY 71 Ca 0.22 0.06 0.26 0.00 0.00 0.00 0.00 47.33 47.87 2gtl h GLY 71 CO -0.61 -0.06 0.66 -2.00 0.00 0.00 0.00 176.54 174.53 2gtl h LEU 72 N -0.16 0.45 0.58 3.11 5.85 -0.63 0.14 115.31 124.65 2gtl h LEU 72 Ca -0.01 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2gtl h LEU 72 Cb 0.12 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2gtl h LEU 72 CO 0.02 0.10 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.16 2gtl h ASP 73 N 0.40 -0.66 -0.89 1.25 -0.00 0.10 -0.37 116.42 116.26 2gtl h ASP 73 Ca 0.59 0.02 0.24 0.00 -0.00 0.00 0.00 57.03 57.88 2gtl h ASP 73 Cb 1.47 0.17 -0.15 0.00 -0.00 0.00 0.00 39.33 40.82 2gtl h ASP 73 CO -0.29 -0.46 0.11 0.40 -0.00 0.00 0.00 179.24 179.00 2gtl h ILE 74 N -0.78 0.21 0.04 2.25 2.04 -0.11 0.62 117.51 121.77 2gtl h ILE 74 Ca -0.08 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2gtl h ILE 74 Cb 0.59 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2gtl h ILE 74 CO 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 178.15 178.27 2gtl h ALA 75 N 1.84 -0.80 -0.38 1.87 0.00 -0.51 -2.84 119.26 118.44 2gtl h ALA 75 Ca 0.54 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.52 2gtl h ALA 75 Cb 1.09 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2gtl h ALA 75 CO -0.76 -0.81 -0.16 0.82 0.00 0.00 0.00 179.25 178.35 2gtl h ILE 76 N -0.07 0.49 0.00 0.00 2.04 -0.10 -0.26 117.51 119.60 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 0.06 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 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 -5.35 0.00 -0.63 1.72 3.41 0.21 -1.20 113.62 111.78 2gtl n SER 77 Ca 0.02 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.65 2gtl n SER 77 Cb 0.26 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.86 0.30 0.46 6.66 -2.24 -0.12 -4.79 114.28 113.69 2gtl n THR 78 Ca 0.00 -0.56 0.05 0.00 -2.27 0.00 0.00 64.05 61.27 2gtl n THR 78 Cb 0.00 0.48 0.25 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.12 0.00 -0.96 3.22 4.77 -0.34 -1.20 117.00 122.37 2gtl n LEU 79 Ca 0.04 0.33 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 2gtl n LEU 79 Cb 0.77 -0.33 0.24 0.00 -2.33 0.00 0.00 43.42 41.78 2gtl n LEU 79 CO -0.01 -0.22 0.70 -0.90 -1.33 0.00 0.00 177.39 175.64 2gtl n ASP 80 N -1.33 3.75 -3.13 -1.43 5.75 -1.26 -4.59 116.55 114.31 2gtl n ASP 80 Ca 0.04 -2.52 -0.20 0.00 -0.01 0.00 0.00 54.79 52.10 2gtl n ASP 80 Cb 0.09 -0.44 -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 0.22 0.79 -0.30 0.11 6.02 -0.34 -5.00 117.38 118.88 2gtl n GLN 81 Ca 0.19 -3.05 0.17 0.00 -0.01 0.00 0.00 57.00 54.30 2gtl n GLN 81 Cb 0.73 -1.35 0.33 0.00 1.02 0.00 0.00 30.24 30.96 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 1.13 -0.07 0.02 -1.09 -0.04 -1.26 -0.99 135.00 132.70 2gtl n PRO 82 Ca 0.20 1.31 -0.14 0.00 -0.04 0.00 0.00 63.50 64.84 2gtl n PRO 82 Cb 0.58 -2.15 -0.09 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.79 -0.87 0.44 0.55 0.00 -1.94 0.14 119.26 119.37 2gtl h ALA 83 Ca 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2gtl h ALA 83 Cb 1.33 0.94 0.00 0.00 0.00 0.00 0.00 17.79 20.07 2gtl h ALA 83 CO -0.80 -1.03 -0.21 1.15 0.00 0.00 0.00 179.25 178.35 2gtl h THR 84 N -0.55 0.47 -0.82 0.00 2.02 -1.42 -3.15 112.91 109.47 2gtl h THR 84 Ca 0.02 -0.44 0.13 0.00 0.77 0.00 0.00 66.41 66.88 2gtl h THR 84 Cb 0.62 0.65 -0.14 0.00 -1.74 0.00 0.00 68.15 67.54 2gtl h THR 84 CO -0.36 0.07 -0.40 0.25 0.37 0.00 0.00 175.52 175.45 2gtl h LEU 85 N -0.89 -1.44 -0.92 2.58 5.85 -1.27 0.69 115.31 119.92 2gtl h LEU 85 Ca -0.06 0.28 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2gtl h LEU 85 Cb 0.57 0.72 -0.15 0.00 0.37 0.00 0.00 40.66 42.17 2gtl h LEU 85 CO 0.10 -0.30 -0.36 1.17 -0.34 0.00 0.00 178.44 178.71 2gtl n LYS 86 N -5.43 -0.22 0.28 1.25 3.00 0.03 -0.50 118.16 116.57 2gtl n LYS 86 Ca 0.07 1.42 -0.16 0.00 -0.00 0.00 0.00 58.31 59.63 2gtl n LYS 86 Cb 0.37 -2.10 -0.08 0.00 0.00 0.00 0.00 35.03 33.21 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 -0.76 -0.33 1.64 4.57 0.41 0.38 114.58 120.49 2gtl h GLU 87 Ca 0.32 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.62 2gtl h GLU 87 Cb 0.55 0.17 -0.07 0.00 -0.16 0.00 0.00 28.75 29.24 2gtl h GLU 87 CO -0.91 -0.51 -0.13 1.49 -1.18 0.00 0.00 179.01 177.76 2gtl h GLU 88 N -0.79 -0.07 -0.14 1.92 4.57 -0.27 0.24 114.58 120.04 2gtl h GLU 88 Ca -0.05 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2gtl h GLU 88 Cb 0.67 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 2gtl h GLU 88 CO 0.03 -0.05 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.60 2gtl h LEU 89 N -0.07 -0.45 -0.70 1.64 3.38 -0.59 0.26 115.31 118.78 2gtl h LEU 89 Ca 0.17 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.33 2gtl h LEU 89 Cb 0.33 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 2gtl h LEU 89 CO -0.38 -0.19 0.30 0.44 0.09 0.00 0.00 178.44 178.70 2gtl h ASP 90 N -0.17 0.33 -0.13 -0.43 5.19 0.17 0.36 116.42 121.74 2gtl h ASP 90 Ca 0.10 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 2gtl h ASP 90 Cb 0.31 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 2gtl h ASP 90 CO -0.24 0.17 -0.07 -0.74 -3.12 0.00 0.00 179.24 175.24 2gtl h HIS 91 N 0.49 -0.16 0.12 4.55 2.76 0.71 -2.12 115.15 121.51 2gtl h HIS 91 Ca 0.36 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2gtl h HIS 91 Cb 0.47 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2gtl h HIS 91 CO -0.14 -0.11 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.18 2gtl h LEU 92 N -0.06 -0.33 -0.88 0.26 3.38 0.34 -2.31 115.31 115.72 2gtl h LEU 92 Ca 0.08 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.32 2gtl h LEU 92 Cb 0.17 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 40.87 2gtl h LEU 92 CO -0.17 -0.19 0.03 1.67 0.09 0.00 0.00 178.44 179.87 2gtl n GLN 93 N -5.25 -0.07 0.09 1.13 7.27 0.11 0.03 117.38 120.70 2gtl n GLN 93 Ca -0.07 1.31 -0.13 0.00 0.07 0.00 0.00 57.00 58.18 2gtl n GLN 93 Cb 0.17 -2.09 -0.08 0.00 2.41 0.00 0.00 30.24 30.64 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 0.96 0.00 1.69 2.07 -0.87 -0.11 116.25 119.98 2gtl h VAL 94 Ca 0.54 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2gtl h VAL 94 Cb 1.11 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2gtl h VAL 94 CO -0.82 0.12 0.11 0.00 0.02 0.00 0.00 177.57 176.99 2gtl n GLN 95 N -5.07 0.07 -0.07 1.57 6.02 0.10 -2.72 117.38 117.28 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 0.19 -1.84 -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 -1.86 0.00 -1.66 1.08 8.25 -0.80 -4.94 115.22 115.29 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 0.12 -0.57 0.01 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 -2.89 1.70 0.00 -0.41 0.28 -0.08 -1.68 120.64 117.55 2gtl n GLU 97 Ca -0.25 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2gtl n GLU 97 Cb 0.78 -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 0.98 3.11 3.72 -1.84 0.00 -1.26 -4.96 105.19 104.94 2gtl n GLY 98 Ca 0.08 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 4.53 -0.75 1.61 0.52 -0.68 -4.92 118.95 119.26 2gtl s ARG 99 Ca 0.00 1.20 -0.17 0.00 -0.52 0.00 0.00 55.73 56.25 2gtl s ARG 99 Cb 0.00 -3.43 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 2gtl s ARG 99 CO 0.00 0.08 1.93 1.63 0.02 0.00 0.00 175.30 178.96 2gtl n LYS 100 N 3.50 1.55 -3.15 3.54 5.02 -1.26 -4.86 118.16 122.50 2gtl n LYS 100 Ca 0.02 -1.64 -0.43 0.00 -2.02 0.00 0.00 58.31 54.24 2gtl n LYS 100 Cb 0.51 -2.72 -0.07 0.00 -0.02 0.00 0.00 35.03 32.73 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 4.60 4.87 0.45 -0.18 1.01 -1.26 -5.05 121.20 125.64 2gtl s ILE 101 Ca 0.50 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.65 2gtl s ILE 101 Cb 0.13 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2gtl s ILE 101 CO 0.08 -0.71 1.14 -2.16 0.00 0.00 0.00 174.94 173.29 2gtl s PRO 102 N 2.68 3.84 0.15 2.79 0.04 -1.26 -4.87 135.00 138.38 2gtl s PRO 102 Ca 0.18 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.02 2gtl s PRO 102 Cb -0.17 -2.44 0.44 0.00 0.04 0.00 0.00 34.50 32.37 2gtl s PRO 102 CO 0.14 -0.47 1.18 -0.25 0.04 0.00 0.00 177.00 177.65 2gtl n ASP 103 N -0.39 0.21 -0.02 6.66 10.43 -1.26 -0.80 116.55 131.37 2gtl n ASP 103 Ca 0.07 0.53 -0.12 0.00 2.57 0.00 0.00 54.79 57.84 2gtl n ASP 103 Cb 0.48 -0.53 -0.06 0.00 1.84 0.00 0.00 41.12 42.85 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 0.15 0.27 -2.24 -1.24 -2.00 -2.65 115.58 107.87 2gtl h ASN 104 Ca 0.00 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 2gtl h ASN 104 Cb 0.22 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.24 2gtl h ASN 104 CO 0.00 0.30 -0.13 1.88 -1.29 0.00 0.00 177.43 178.19 2gtl h TYR 105 N -0.01 -0.34 -0.95 0.67 0.99 -1.34 -2.89 116.97 113.10 2gtl h TYR 105 Ca 0.03 -0.01 0.26 0.00 2.00 0.00 0.00 58.73 61.02 2gtl h TYR 105 Cb 0.20 0.11 -0.14 0.00 1.00 0.00 0.00 36.73 37.91 2gtl h TYR 105 CO -0.01 -0.05 0.47 0.74 -0.00 0.00 0.00 178.16 179.31 2gtl h PHE 106 N -0.61 0.78 -0.03 4.88 -1.00 -1.60 0.32 116.94 119.68 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 0.44 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 2gtl h PHE 106 CO 0.00 -0.09 -0.13 0.22 -1.61 0.00 0.00 178.31 176.71 2gtl h ASP 107 N 0.39 -0.38 -0.32 2.17 3.58 -1.27 -0.39 116.42 120.20 2gtl h ASP 107 Ca 0.63 0.06 0.01 0.00 0.42 0.00 0.00 57.03 58.15 2gtl h ASP 107 Cb 1.30 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.50 2gtl h ASP 107 CO -0.56 -0.18 0.20 0.00 -2.88 0.00 0.00 179.24 175.82 2gtl h ALA 108 N 0.79 0.41 -0.67 -0.78 0.00 -0.28 -1.39 119.26 117.33 2gtl h ALA 108 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2gtl h ALA 108 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2gtl h ALA 108 CO -0.15 -0.15 0.44 0.35 0.00 0.00 0.00 179.25 179.75 2gtl h PHE 109 N 0.41 0.73 0.29 0.00 3.04 -0.71 0.41 116.94 121.11 2gtl h PHE 109 Ca 0.12 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 2gtl h PHE 109 Cb -0.03 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.24 2gtl h PHE 109 CO -0.06 0.40 -0.14 -0.22 -2.02 0.00 0.00 178.31 176.27 2gtl h LYS 110 N 0.74 -0.38 -0.44 1.11 3.64 -0.45 -1.55 116.57 119.24 2gtl h LYS 110 Ca 0.28 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 2gtl h LYS 110 Cb 0.18 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 2gtl h LYS 110 CO -0.08 -0.08 -0.22 1.15 -2.27 0.00 0.00 179.45 177.95 2gtl h THR 111 N -0.68 0.37 -0.09 1.00 2.02 -0.48 0.11 112.91 115.16 2gtl h THR 111 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2gtl h THR 111 Cb 0.47 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2gtl h THR 111 CO 0.07 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.64 2gtl h ALA 112 N 1.14 -0.69 -0.76 6.16 0.00 -0.07 0.39 119.26 125.44 2gtl h ALA 112 Ca 0.21 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.19 2gtl h ALA 112 Cb 0.45 0.83 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 2gtl h ALA 112 CO -0.52 -0.81 -0.44 0.82 0.00 0.00 0.00 179.25 178.31 2gtl h ILE 113 N -0.33 0.06 -0.20 0.00 2.04 -0.38 -0.59 117.51 118.11 2gtl h ILE 113 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2gtl h ILE 113 Cb 0.39 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 2gtl h ILE 113 CO -0.26 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.61 2gtl h LEU 114 N -0.13 -0.68 -0.41 1.44 4.07 -0.18 0.17 115.31 119.60 2gtl h LEU 114 Ca 0.23 0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.33 2gtl h LEU 114 Cb 0.55 0.32 -0.03 0.00 1.08 0.00 0.00 40.66 42.58 2gtl h LEU 114 CO -0.81 -0.26 0.24 0.45 -1.08 0.00 0.00 178.44 176.98 2gtl h HIS 115 N -0.24 0.45 0.28 1.13 3.86 0.20 0.15 115.15 120.98 2gtl h HIS 115 Ca 0.12 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2gtl h HIS 115 Cb 0.42 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2gtl h HIS 115 CO -0.35 0.26 -0.13 0.28 0.86 0.00 0.00 177.93 178.84 2gtl h VAL 116 N 0.48 0.76 -0.64 2.45 2.07 -0.80 -0.99 116.25 119.59 2gtl h VAL 116 Ca 0.16 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.56 2gtl h VAL 116 Cb 0.01 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 2gtl h VAL 116 CO -0.08 0.05 0.07 0.58 0.02 0.00 0.00 177.57 178.22 2gtl h VAL 117 N -0.50 0.54 -0.97 2.57 2.07 -0.46 0.31 116.25 119.82 2gtl h VAL 117 Ca -0.04 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2gtl h VAL 117 Cb 0.37 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2gtl h VAL 117 CO 0.06 0.03 0.64 0.00 0.02 0.00 0.00 177.57 178.33 2gtl h ALA 118 N 1.55 1.31 -0.46 1.67 0.00 -0.79 0.55 119.26 123.08 2gtl h ALA 118 Ca 0.34 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2gtl h ALA 118 Cb 0.55 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2gtl h ALA 118 CO -0.49 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 2gtl h ALA 119 N 1.40 1.05 -0.05 0.00 0.00 0.86 -2.84 119.26 119.68 2gtl h ALA 119 Ca 0.36 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 2gtl h ALA 119 Cb -0.15 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2gtl h ALA 119 CO -0.08 0.59 -0.90 1.96 0.00 0.00 0.00 179.25 180.82 2gtl h GLN 120 N 0.73 0.59 -0.00 0.00 1.08 0.31 -3.30 115.11 114.52 2gtl h GLN 120 Ca 0.14 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2gtl h GLN 120 Cb 0.51 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2gtl h GLN 120 CO 0.03 1.18 -0.15 1.28 -0.95 0.00 0.00 178.83 180.22 2gtl n LEU 121 N -3.84 0.42 0.00 1.46 4.77 0.09 -4.96 117.00 114.94 2gtl n LEU 121 Ca -0.08 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2gtl n LEU 121 Cb 0.81 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2gtl n LEU 121 CO 0.52 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2gtl n GLY 122 N 1.35 0.90 0.08 -0.72 0.00 -1.08 -3.55 105.19 102.17 2gtl n GLY 122 Ca 0.12 0.45 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 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 0.22 -2.68 1.61 0.00 -1.26 -4.90 116.66 109.64 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 -1.16 -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 4.39 -0.94 -0.33 0.00 6.14 -1.26 -4.93 117.35 120.43 2gtl s TYR 125 Ca 0.39 1.65 -0.19 0.00 0.64 0.00 0.00 57.07 59.56 2gtl s TYR 125 Cb -0.04 0.56 -0.01 0.00 0.42 0.00 0.00 41.96 42.89 2gtl s TYR 125 CO -0.05 -0.46 0.54 0.34 0.64 0.00 0.00 175.55 176.56 2gtl s ASP 126 N 2.50 6.37 0.01 4.32 -1.08 -1.26 -4.98 116.67 122.54 2gtl s ASP 126 Ca -0.05 0.16 -0.23 0.00 -0.52 0.00 0.00 52.55 51.91 2gtl s ASP 126 Cb -0.08 -2.28 -0.13 0.00 -1.46 0.00 0.00 42.92 38.97 2gtl s ASP 126 CO -0.18 -0.45 1.05 -0.09 0.52 0.00 0.00 175.17 176.02 2gtl h ARG 127 N 8.34 -0.81 -0.90 4.34 2.43 -2.00 -3.02 114.38 122.76 2gtl h ARG 127 Ca -0.28 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.12 2gtl h ARG 127 Cb 1.13 0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.69 2gtl h ARG 127 CO 0.77 -0.54 -0.28 0.93 -1.51 0.00 0.00 179.97 179.34 2gtl h GLU 128 N -1.10 -0.02 -0.12 0.20 5.08 -1.99 0.14 114.58 116.77 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 0.64 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2gtl h GLU 128 CO 0.14 -0.01 -0.31 0.00 -1.00 0.00 0.00 179.01 177.83 2gtl h ALA 129 N 1.69 -0.36 0.37 3.43 0.00 -1.94 0.21 119.26 122.67 2gtl h ALA 129 Ca 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2gtl h ALA 129 Cb 0.64 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2gtl h ALA 129 CO -0.93 -0.79 -0.20 -1.49 0.00 0.00 0.00 179.25 175.84 2gtl h TRP 130 N -0.39 -0.53 -0.69 0.00 4.06 -0.99 -1.27 115.95 116.14 2gtl h TRP 130 Ca 0.09 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.15 2gtl h TRP 130 Cb 0.53 0.18 -0.12 0.00 -1.00 0.00 0.00 29.16 28.75 2gtl h TRP 130 CO -0.39 -0.32 -0.36 0.22 -3.56 0.00 0.00 178.44 174.02 2gtl h ASP 131 N -0.54 -1.28 -0.37 -3.49 1.82 -0.54 0.37 116.42 112.39 2gtl h ASP 131 Ca -0.05 0.25 0.07 0.00 -0.39 0.00 0.00 57.03 56.91 2gtl h ASP 131 Cb 0.43 0.64 -0.06 0.00 0.68 0.00 0.00 39.33 41.01 2gtl h ASP 131 CO 0.06 -0.30 -0.00 0.00 -1.61 0.00 0.00 179.24 177.39 2gtl h ALA 132 N 1.03 0.34 -0.09 -0.78 0.00 -0.16 -1.31 119.26 118.29 2gtl h ALA 132 Ca 0.25 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2gtl h ALA 132 Cb 0.56 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gtl h ALA 132 CO -0.76 -0.40 -0.39 0.00 0.00 0.00 0.00 179.25 177.71 2gtl h ILE 134 N -0.02 0.93 0.69 0.00 1.08 -0.30 0.12 117.51 120.02 2gtl h ILE 134 Ca -0.02 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 2gtl h ILE 134 Cb 1.03 0.13 0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2gtl h ILE 134 CO 0.08 0.13 -0.33 -0.78 -0.69 0.00 0.00 178.15 176.56 2gtl h ASP 135 N 0.74 -0.79 -1.04 1.72 3.58 -1.11 0.56 116.42 120.09 2gtl h ASP 135 Ca 0.39 0.03 0.28 0.00 0.42 0.00 0.00 57.03 58.14 2gtl h ASP 135 Cb 0.50 0.20 -0.12 0.00 1.72 0.00 0.00 39.33 41.63 2gtl h ASP 135 CO -0.16 -0.53 0.63 -0.74 -2.88 0.00 0.00 179.24 175.56 2gtl h HIS 136 N -0.99 0.87 -0.32 0.28 2.76 -0.40 0.47 115.15 117.83 2gtl h HIS 136 Ca -0.09 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.99 2gtl h HIS 136 Cb 0.71 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2gtl h HIS 136 CO 0.06 -0.01 -0.26 0.82 -1.30 0.00 0.00 177.93 177.24 2gtl h ILE 137 N 0.44 1.29 -0.50 6.26 2.04 -0.52 -2.54 117.51 123.99 2gtl h ILE 137 Ca 0.66 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2gtl h ILE 137 Cb 1.49 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2gtl h ILE 137 CO -0.45 0.46 0.08 -0.33 0.00 0.00 0.00 178.15 177.91 2gtl h GLU 138 N 0.50 0.82 -0.54 2.37 5.08 0.21 -2.61 114.58 120.42 2gtl h GLU 138 Ca 0.06 -0.22 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2gtl h GLU 138 Cb 0.83 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2gtl h GLU 138 CO 0.07 0.82 0.15 -0.44 -1.00 0.00 0.00 179.01 178.62 2gtl h ASP 139 N 0.70 0.10 0.00 1.42 3.32 -0.40 0.39 116.42 121.96 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 0.40 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2gtl h ASP 139 CO 0.01 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 2gtl n GLY 140 N -1.29 -0.70 0.07 2.75 0.00 -0.96 -0.25 105.19 104.80 2gtl n GLY 140 Ca 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.91 0.87 -0.09 -0.61 5.41 0.12 -4.29 119.36 118.87 2gtl n ILE 141 Ca -0.01 -0.66 -0.21 0.00 1.00 0.00 0.00 62.75 62.87 2gtl n ILE 141 Cb 0.02 -0.36 -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 0.03 0.00 0.38 1.57 -0.28 -3.39 116.57 114.88 2gtl h LYS 142 Ca -0.34 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2gtl h LYS 142 Cb 1.75 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2gtl h LYS 142 CO 0.02 1.02 0.00 0.41 -0.57 0.00 0.00 179.45 180.33 2gtl n GLY 143 N 1.51 2.22 0.00 3.86 0.00 0.65 -5.02 105.19 108.41 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 -0.13 1.61 8.25 -1.26 -4.99 115.22 118.23 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