#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gou n LEU 2 N 0.00 -1.51 -4.45 6.55 4.32 -1.26 -5.02 117.00 115.64 3gou n LEU 2 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.64 3gou n LEU 2 Cb 0.00 -0.75 0.09 0.00 -1.62 0.00 0.00 43.42 41.14 3gou n LEU 2 CO 0.00 0.00 0.01 -1.54 -1.22 0.00 0.00 177.39 174.64 3gou n SER 3 N 0.00 -1.52 -0.35 -1.43 3.41 -1.26 -4.76 113.62 107.71 3gou n SER 3 Ca 0.00 0.49 0.25 0.00 -0.26 0.00 0.00 58.87 59.35 3gou n SER 3 Cb 0.00 -1.21 0.50 0.00 -0.26 0.00 0.00 64.21 63.23 3gou n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3gou h PRO 4 N -0.81 0.34 -0.16 4.33 0.11 -2.00 -1.57 132.00 132.24 3gou h PRO 4 Ca -0.45 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 3gou h PRO 4 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gou h PRO 4 CO 0.39 0.23 -0.71 0.00 -0.21 0.00 0.00 178.00 177.70 3gou h ALA 5 N 1.72 0.43 -0.89 -0.75 0.00 -1.99 -1.08 119.26 116.70 3gou h ALA 5 Ca 0.69 -0.58 0.15 0.00 0.00 0.00 0.00 54.91 55.17 3gou h ALA 5 Cb 1.69 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 3gou h ALA 5 CO -0.46 0.70 0.49 -0.44 0.00 0.00 0.00 179.25 179.54 3gou h ASP 6 N 0.50 0.63 0.42 0.00 3.45 -1.62 0.43 116.42 120.22 3gou h ASP 6 Ca -0.03 0.08 -0.18 0.00 0.43 0.00 0.00 57.03 57.33 3gou h ASP 6 Cb 1.32 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.06 3gou h ASP 6 CO 0.14 0.28 -0.77 0.11 -1.57 0.00 0.00 179.24 177.43 3gou h LYS 7 N 0.71 0.28 -0.40 3.56 1.57 -1.14 -1.28 116.57 119.87 3gou h LYS 7 Ca 0.48 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3gou h LYS 7 Cb 0.65 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3gou h LYS 7 CO -0.34 0.92 0.25 1.15 -0.57 0.00 0.00 179.45 180.86 3gou h THR 8 N 0.18 1.08 -0.31 -0.16 2.02 -0.04 -0.15 112.91 115.53 3gou h THR 8 Ca -0.03 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3gou h THR 8 Cb 1.35 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3gou h THR 8 CO 0.12 0.09 0.09 0.78 0.37 0.00 0.00 175.52 176.98 3gou h ASN 9 N 0.51 0.46 -0.48 4.18 -0.26 -0.79 -1.77 115.58 117.44 3gou h ASN 9 Ca 0.15 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 3gou h ASN 9 Cb -0.04 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 3gou h ASN 9 CO -0.05 0.56 0.24 0.40 -1.06 0.00 0.00 177.43 177.52 3gou h ILE 10 N 0.35 1.18 -0.16 2.81 2.04 -1.14 -2.00 117.51 120.59 3gou h ILE 10 Ca 0.10 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 3gou h ILE 10 Cb 0.27 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3gou h ILE 10 CO -0.00 0.20 -0.27 0.11 0.00 0.00 0.00 178.15 178.19 3gou h LYS 11 N 0.63 0.29 0.02 2.37 1.57 -0.94 -2.39 116.57 118.12 3gou h LYS 11 Ca 0.17 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gou h LYS 11 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gou h LYS 11 CO -0.02 0.55 -0.01 0.77 -0.57 0.00 0.00 179.45 180.16 3gou h SER 12 N 0.26 -0.02 0.23 0.86 0.02 -1.22 -2.78 113.55 110.91 3gou h SER 12 Ca 0.04 -0.74 -0.05 0.00 -0.84 0.00 0.00 61.79 60.19 3gou h SER 12 Cb 0.62 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3gou h SER 12 CO 0.04 0.77 -0.24 0.71 -1.14 0.00 0.00 176.83 176.98 3gou h THR 13 N -0.85 1.18 0.00 -2.27 1.35 -1.39 0.14 112.91 111.06 3gou h THR 13 Ca -0.00 -0.86 -0.12 0.00 -0.55 0.00 0.00 66.41 64.88 3gou h THR 13 Cb 0.76 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 3gou h THR 13 CO 0.00 0.25 -0.55 -0.25 -0.25 0.00 0.00 175.52 174.72 3gou h TRP 14 N 0.03 0.00 -0.08 4.73 2.91 -1.54 -2.00 115.95 120.00 3gou h TRP 14 Ca 0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 3gou h TRP 14 Cb 0.44 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 3gou h TRP 14 CO 0.00 0.55 0.03 -0.44 -1.03 0.00 0.00 178.44 177.55 3gou h ASP 15 N 0.00 0.12 0.63 2.65 3.45 -0.49 -2.75 116.42 120.03 3gou h ASP 15 Ca -0.01 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.20 3gou h ASP 15 Cb 1.08 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3gou h ASP 15 CO 0.07 0.28 -0.27 0.11 -1.57 0.00 0.00 179.24 177.87 3gou h LYS 16 N -0.06 0.00 0.14 3.56 1.79 -0.97 -2.30 116.57 118.73 3gou h LYS 16 Ca 0.03 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.21 3gou h LYS 16 Cb 0.21 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.87 3gou h LYS 16 CO -0.00 0.27 -1.26 -0.84 -1.08 0.00 0.00 179.45 176.54 3gou h ILE 17 N 0.00 1.41 0.00 1.86 3.07 -1.38 -3.47 117.51 118.99 3gou h ILE 17 Ca -0.00 -2.82 0.00 0.00 1.55 0.00 0.00 64.86 63.59 3gou h ILE 17 Cb 0.65 2.86 0.00 0.00 -0.27 0.00 0.00 36.82 40.07 3gou h ILE 17 CO 0.03 0.83 0.00 0.61 -1.05 0.00 0.00 178.15 178.58 3gou n GLY 18 N 1.47 3.46 0.00 0.16 0.00 -0.87 -1.07 105.19 108.35 3gou n GLY 18 Ca -0.11 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3gou n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gou n GLY 19 N 0.00 -1.05 0.21 -0.02 0.00 -1.26 -2.28 105.19 100.80 3gou n GLY 19 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3gou n GLY 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3gou h HIS 20 N 0.00 0.00 -0.68 1.61 -0.00 -1.48 -3.39 115.15 111.21 3gou h HIS 20 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.46 3gou h HIS 20 Cb 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.58 3gou h HIS 20 CO 0.00 0.08 0.32 0.00 -0.00 0.00 0.00 177.93 178.32 3gou h ALA 21 N 1.92 0.92 -0.62 2.45 0.00 -1.56 -1.81 119.26 120.56 3gou h ALA 21 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gou h ALA 21 Cb 1.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3gou h ALA 21 CO 0.01 -0.09 0.40 0.78 0.00 0.00 0.00 179.25 180.35 3gou h GLY 22 N 0.54 0.88 1.92 0.00 0.00 -1.83 -2.15 103.07 102.43 3gou h GLY 22 Ca 0.34 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3gou h GLY 22 CO -0.28 0.33 -0.24 -0.55 0.00 0.00 0.00 176.54 175.80 3gou h ASP 23 N 0.84 0.09 0.91 0.19 3.45 -1.62 -2.10 116.42 118.19 3gou h ASP 23 Ca 0.23 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 3gou h ASP 23 Cb -0.08 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3gou h ASP 23 CO -0.05 0.34 -0.10 1.88 -1.57 0.00 0.00 179.24 179.74 3gou h TYR 24 N 0.09 0.00 -0.13 4.55 0.99 -1.03 -2.58 116.97 118.85 3gou h TYR 24 Ca 0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 3gou h TYR 24 Cb 0.47 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.20 3gou h TYR 24 CO 0.00 0.10 0.07 0.78 -0.00 0.00 0.00 178.16 179.11 3gou h GLY 25 N 1.92 0.20 1.04 3.88 0.00 -1.11 -1.15 103.07 107.84 3gou h GLY 25 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3gou h GLY 25 CO 0.01 0.08 0.19 -1.33 0.00 0.00 0.00 176.54 175.50 3gou h GLY 26 N 0.12 1.16 1.00 4.60 0.00 -1.54 -1.44 103.07 106.96 3gou h GLY 26 Ca 0.05 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 3gou h GLY 26 CO -0.01 0.66 0.04 -2.09 0.00 0.00 0.00 176.54 175.14 3gou h GLU 27 N 1.01 0.85 0.00 4.80 4.81 -1.44 -1.45 114.58 123.16 3gou h GLU 27 Ca 0.22 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3gou h GLU 27 Cb 0.33 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3gou h GLU 27 CO -0.00 0.87 -0.50 0.00 -0.73 0.00 0.00 179.01 178.64 3gou h ALA 28 N 0.95 0.99 -0.12 2.92 0.00 -0.96 -0.26 119.26 122.77 3gou h ALA 28 Ca 0.15 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3gou h ALA 28 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gou h ALA 28 CO 0.02 0.63 -0.25 -0.07 0.00 0.00 0.00 179.25 179.58 3gou h LEU 29 N 0.00 0.43 -0.02 0.00 3.38 -1.27 -2.76 115.31 115.06 3gou h LEU 29 Ca -0.01 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.44 3gou h LEU 29 Cb 1.00 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3gou h LEU 29 CO 0.07 0.91 -0.36 -0.78 0.09 0.00 0.00 178.44 178.36 3gou h ASP 30 N -0.03 -1.10 -0.89 -0.43 3.58 -0.49 -1.56 116.42 115.49 3gou h ASP 30 Ca 0.00 0.14 0.09 0.00 0.42 0.00 0.00 57.03 57.68 3gou h ASP 30 Cb 0.84 0.44 -0.07 0.00 1.72 0.00 0.00 39.33 42.26 3gou h ASP 30 CO 0.06 -0.41 0.54 0.03 -2.88 0.00 0.00 179.24 176.57 3gou h ARG 31 N -0.50 0.90 -0.43 0.28 3.08 -1.14 -0.17 114.38 116.39 3gou h ARG 31 Ca 0.06 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3gou h ARG 31 Cb 0.60 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 3gou h ARG 31 CO -0.31 0.60 0.17 1.15 -1.07 0.00 0.00 179.97 180.51 3gou h THR 32 N 0.93 0.89 -0.48 2.04 2.02 -1.13 0.55 112.91 117.72 3gou h THR 32 Ca 0.41 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 67.35 3gou h THR 32 Cb 0.31 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3gou h THR 32 CO -0.22 0.06 -0.20 -0.26 0.37 0.00 0.00 175.52 175.27 3gou h PHE 33 N 0.35 1.12 -0.01 3.16 0.04 -0.27 0.33 116.94 121.66 3gou h PHE 33 Ca 0.20 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 3gou h PHE 33 Cb 0.17 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.06 3gou h PHE 33 CO -0.14 1.08 -0.27 1.96 -0.60 0.00 0.00 178.31 180.35 3gou h GLN 34 N 0.85 0.20 -0.12 1.51 4.20 -1.02 -3.30 115.11 117.42 3gou h GLN 34 Ca 0.11 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 3gou h GLN 34 Cb 0.78 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3gou h GLN 34 CO 0.06 0.92 -0.62 0.77 -0.67 0.00 0.00 178.83 179.29 3gou h SER 35 N -0.44 0.50 -3.00 1.46 0.02 0.18 -3.38 113.55 108.89 3gou h SER 35 Ca -0.03 -0.29 -0.56 0.00 -0.84 0.00 0.00 61.79 60.07 3gou h SER 35 Cb 1.00 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.00 3gou h SER 35 CO 0.05 1.00 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.61 3gou s PHE 36 N -3.82 1.13 -1.13 3.45 0.40 0.12 -4.98 117.98 113.14 3gou s PHE 36 Ca -0.06 -1.45 0.24 0.00 -0.60 0.00 0.00 56.93 55.05 3gou s PHE 36 Cb 0.11 -1.36 1.07 0.00 0.51 0.00 0.00 43.02 43.35 3gou s PHE 36 CO 0.83 -0.85 1.77 -0.35 0.70 0.00 0.00 175.22 177.32 3gou n PRO 37 N 4.85 0.11 0.25 0.24 -0.04 -1.24 -2.70 135.00 136.46 3gou n PRO 37 Ca -0.02 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 3gou n PRO 37 Cb 0.41 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.93 3gou n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gou h THR 38 N 0.00 0.24 0.00 0.52 1.03 -1.89 -3.12 112.91 109.69 3gou h THR 38 Ca 0.00 -0.80 -0.08 0.00 -0.01 0.00 0.00 66.41 65.52 3gou h THR 38 Cb 0.35 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.07 3gou h THR 38 CO 0.00 0.10 -0.38 0.71 -0.01 0.00 0.00 175.52 175.93 3gou h THR 39 N 0.00 0.73 0.00 0.00 1.35 -1.82 -3.27 112.91 109.90 3gou h THR 39 Ca -0.00 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 3gou h THR 39 Cb 0.64 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3gou h THR 39 CO 0.01 0.37 0.00 0.11 -0.25 0.00 0.00 175.52 175.77 3gou h LYS 40 N 0.00 0.00 -0.37 4.72 1.57 -1.76 -2.79 116.57 117.95 3gou h LYS 40 Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3gou h LYS 40 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3gou h LYS 40 CO 0.05 0.00 0.34 1.15 -0.57 0.00 0.00 179.45 180.42 3gou h THR 41 N 0.00 0.53 0.00 -0.16 2.02 -1.78 0.19 112.91 113.71 3gou h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gou h THR 41 Cb 0.38 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3gou h THR 41 CO 0.00 0.00 0.00 1.88 0.37 0.00 0.00 175.52 177.77 3gou h TYR 42 N 0.00 0.00 -2.96 3.16 0.05 -1.77 -3.32 116.97 112.14 3gou h TYR 42 Ca 0.18 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.34 3gou h TYR 42 Cb 0.86 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.18 3gou h TYR 42 CO 0.00 0.00 -0.64 1.19 -1.05 0.00 0.00 178.16 177.66 3gou n PHE 43 N -2.74 2.58 -0.00 4.88 3.01 0.68 -4.84 117.46 121.03 3gou n PHE 43 Ca 0.02 -4.15 -0.16 0.00 1.01 0.00 0.00 57.45 54.17 3gou n PHE 43 Cb 0.33 -0.48 -0.05 0.00 -0.01 0.00 0.00 39.48 39.28 3gou n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3gou h PRO 44 N 5.41 0.69 0.00 -1.08 0.11 -1.69 -3.33 132.00 132.11 3gou h PRO 44 Ca 0.17 -0.58 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gou h PRO 44 Cb 0.78 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3gou h PRO 44 CO 0.66 1.19 0.00 -2.39 -0.21 0.00 0.00 178.00 177.25 3gou n HIS 45 N -3.90 0.00 -3.76 0.65 1.44 -1.26 -4.76 115.22 103.63 3gou n HIS 45 Ca -0.07 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.27 3gou n HIS 45 Cb 0.75 -0.20 -0.07 0.00 0.12 0.00 0.00 29.99 30.59 3gou n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3gou s PHE 46 N -2.40 3.57 0.08 -1.40 2.99 -1.25 -5.05 117.98 114.51 3gou s PHE 46 Ca 0.19 0.56 -0.31 0.00 0.00 0.00 0.00 56.93 57.38 3gou s PHE 46 Cb 0.12 -2.07 -0.07 0.00 0.00 0.00 0.00 43.02 40.99 3gou s PHE 46 CO 0.25 0.58 1.34 0.34 -0.00 0.00 0.00 175.22 177.73 3gou s ASP 47 N -0.60 6.90 0.00 1.36 3.68 -1.26 -4.89 116.67 121.86 3gou s ASP 47 Ca 0.15 2.21 0.08 0.00 2.13 0.00 0.00 52.55 57.11 3gou s ASP 47 Cb -0.13 -2.58 0.09 0.00 -1.45 0.00 0.00 42.92 38.85 3gou s ASP 47 CO 0.04 -0.61 0.82 0.18 0.13 0.00 0.00 175.17 175.73 3gou n LEU 48 N 4.17 1.83 -4.35 -1.34 4.32 -1.26 -4.45 117.00 115.92 3gou n LEU 48 Ca 0.11 -1.17 -0.34 0.00 -0.02 0.00 0.00 56.01 54.59 3gou n LEU 48 Cb 0.44 -0.03 0.10 0.00 -1.62 0.00 0.00 43.42 42.31 3gou n LEU 48 CO 0.58 0.39 -0.30 -1.54 -1.22 0.00 0.00 177.39 175.30 3gou n SER 49 N 0.41 -2.71 0.00 -1.43 3.41 -1.26 -4.85 113.62 107.19 3gou n SER 49 Ca 0.05 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3gou n SER 49 Cb 0.23 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 3gou n SER 49 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3gou n PRO 50 N -0.78 0.00 -0.13 4.33 -0.02 -1.26 -1.95 135.00 135.20 3gou n PRO 50 Ca 0.06 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 62.02 3gou n PRO 50 Cb 0.53 -0.75 0.08 0.00 -0.02 0.00 0.00 33.50 33.34 3gou n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gou n GLY 51 N -0.92 0.57 2.89 -1.23 0.00 -1.26 -4.96 105.19 100.28 3gou n GLY 51 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 46.02 45.31 3gou n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gou n SER 52 N 0.04 0.91 0.16 1.61 2.88 -0.82 -4.80 113.62 113.60 3gou n SER 52 Ca 0.06 0.89 0.03 0.00 -1.33 0.00 0.00 58.87 58.52 3gou n SER 52 Cb 0.26 -0.69 0.42 0.00 -0.75 0.00 0.00 64.21 63.45 3gou n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gou h ALA 53 N 4.22 1.54 -0.01 -1.46 0.00 -1.90 -2.60 119.26 119.05 3gou h ALA 53 Ca -0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3gou h ALA 53 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gou h ALA 53 CO 0.77 0.33 -0.02 0.37 0.00 0.00 0.00 179.25 180.71 3gou h GLN 54 N 0.12 0.02 -0.60 0.00 4.15 -1.87 -2.15 115.11 114.79 3gou h GLN 54 Ca 0.02 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.44 3gou h GLN 54 Cb 0.40 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 3gou h GLN 54 CO 0.03 0.58 0.39 0.28 -1.93 0.00 0.00 178.83 178.18 3gou h VAL 55 N -0.53 1.14 -0.43 2.39 2.07 -1.78 -2.40 116.25 116.71 3gou h VAL 55 Ca 0.00 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3gou h VAL 55 Cb 0.58 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 3gou h VAL 55 CO 0.00 0.15 -0.50 0.50 0.02 0.00 0.00 177.57 177.74 3gou h LYS 56 N 0.80 -0.34 -0.35 1.57 3.64 -1.32 0.22 116.57 120.79 3gou h LYS 56 Ca 0.22 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3gou h LYS 56 Cb -0.08 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3gou h LYS 56 CO -0.05 -0.23 0.08 0.00 -2.27 0.00 0.00 179.45 176.98 3gou h ALA 57 N 0.22 0.37 -0.13 5.00 0.00 -1.23 -2.32 119.26 121.18 3gou h ALA 57 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gou h ALA 57 Cb 0.59 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gou h ALA 57 CO -0.60 -0.33 -0.01 1.25 0.00 0.00 0.00 179.25 179.56 3gou h HIS 58 N 0.20 0.25 -1.00 0.00 -0.00 -0.80 -0.74 115.15 113.06 3gou h HIS 58 Ca 0.16 -0.05 0.26 0.00 -0.00 0.00 0.00 60.37 60.74 3gou h HIS 58 Cb 0.18 -0.06 -0.13 0.00 -0.00 0.00 0.00 27.41 27.40 3gou h HIS 58 CO -0.18 0.49 0.58 0.78 -0.00 0.00 0.00 177.93 179.60 3gou h GLY 59 N -0.05 1.92 0.75 5.26 0.00 -0.43 0.20 103.07 110.72 3gou h GLY 59 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3gou h GLY 59 CO 0.01 -0.28 -0.01 1.70 0.00 0.00 0.00 176.54 177.95 3gou h LYS 60 N 0.53 0.22 -0.87 4.80 3.11 -0.72 -0.84 116.57 122.80 3gou h LYS 60 Ca 0.66 -0.08 0.17 0.00 -2.81 0.00 0.00 60.65 58.59 3gou h LYS 60 Cb 1.29 -0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 32.40 3gou h LYS 60 CO -0.50 0.49 0.44 0.87 -2.81 0.00 0.00 179.45 177.93 3gou h LYS 61 N -0.07 0.55 -0.07 1.90 1.57 0.38 -0.06 116.57 120.77 3gou h LYS 61 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gou h LYS 61 Cb 0.40 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3gou h LYS 61 CO 0.01 0.36 0.04 0.28 -0.57 0.00 0.00 179.45 179.57 3gou h VAL 62 N 0.57 1.09 -0.95 0.50 2.07 -0.35 -1.80 116.25 117.38 3gou h VAL 62 Ca 0.50 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.78 3gou h VAL 62 Cb 0.80 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3gou h VAL 62 CO -0.41 0.08 0.63 0.00 0.02 0.00 0.00 177.57 177.88 3gou h ALA 63 N 0.94 1.21 -0.25 1.67 0.00 -0.67 -1.43 119.26 120.74 3gou h ALA 63 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gou h ALA 63 Cb 0.09 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3gou h ALA 63 CO -0.00 0.57 -0.08 -0.44 0.00 0.00 0.00 179.25 179.29 3gou h ASP 64 N 1.26 -0.29 -0.88 0.00 3.32 -0.90 0.52 116.42 119.46 3gou h ASP 64 Ca 0.35 0.08 0.15 0.00 0.02 0.00 0.00 57.03 57.64 3gou h ASP 64 Cb -0.11 0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.52 3gou h ASP 64 CO -0.09 -0.11 0.47 0.00 -1.72 0.00 0.00 179.24 177.79 3gou h ALA 65 N 1.20 1.34 -0.05 3.45 0.00 -0.74 -1.72 119.26 122.75 3gou h ALA 65 Ca 0.13 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3gou h ALA 65 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gou h ALA 65 CO -0.28 -0.08 -0.66 -0.07 0.00 0.00 0.00 179.25 178.16 3gou h LEU 66 N 0.65 0.25 -0.74 0.00 3.38 -0.04 -2.53 115.31 116.29 3gou h LEU 66 Ca 0.48 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 3gou h LEU 66 Cb 0.69 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3gou h LEU 66 CO -0.36 0.84 -0.03 0.74 0.09 0.00 0.00 178.44 179.72 3gou h THR 67 N 0.15 1.26 -0.13 0.22 2.02 0.81 -1.86 112.91 115.39 3gou h THR 67 Ca -0.01 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.06 3gou h THR 67 Cb 1.19 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3gou h THR 67 CO 0.10 0.40 -0.01 0.74 0.37 0.00 0.00 175.52 177.12 3gou h THR 68 N 0.85 0.90 -0.60 3.16 2.02 -1.32 -2.79 112.91 115.12 3gou h THR 68 Ca 0.15 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.44 3gou h THR 68 Cb 0.55 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 67.74 3gou h THR 68 CO 0.03 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.05 3gou h ALA 69 N 1.11 0.71 0.00 6.16 0.00 -1.10 0.01 119.26 126.16 3gou h ALA 69 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gou h ALA 69 Cb 0.08 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gou h ALA 69 CO -0.11 -0.31 0.00 0.28 0.00 0.00 0.00 179.25 179.11 3gou h VAL 70 N 0.26 0.00 -0.02 0.00 2.07 -1.08 0.99 116.25 118.47 3gou h VAL 70 Ca 0.32 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3gou h VAL 70 Cb 0.47 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3gou h VAL 70 CO -0.41 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 176.98 3gou n ALA 71 N -1.85 2.94 -2.75 1.67 0.00 -0.06 -4.43 120.51 116.04 3gou n ALA 71 Ca 0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 3gou n ALA 71 Cb 0.18 -0.91 0.04 0.00 0.00 0.00 0.00 19.45 18.76 3gou n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gou n HIS 72 N 0.39 1.21 0.13 0.00 8.25 0.32 -4.94 115.22 120.58 3gou n HIS 72 Ca 0.13 -2.47 0.02 0.00 -0.26 0.00 0.00 57.72 55.15 3gou n HIS 72 Cb 0.48 -0.30 0.39 0.00 1.12 0.00 0.00 29.99 31.67 3gou n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gou h LEU 73 N 2.80 0.20 -0.12 2.41 3.38 -1.70 -1.52 115.31 120.75 3gou h LEU 73 Ca -0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gou h LEU 73 Cb 1.22 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3gou h LEU 73 CO 0.34 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.72 3gou n ASP 74 N -4.26 0.53 -3.37 -0.43 10.43 -1.26 -4.27 116.55 113.92 3gou n ASP 74 Ca -0.01 0.57 -0.16 0.00 2.57 0.00 0.00 54.79 57.75 3gou n ASP 74 Cb 0.28 -0.70 -0.08 0.00 1.84 0.00 0.00 41.12 42.45 3gou n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3gou s ASP 75 N -3.99 1.33 -0.19 -2.24 3.68 -0.58 -5.00 116.67 109.67 3gou s ASP 75 Ca 0.10 -1.16 -0.20 0.00 2.13 0.00 0.00 52.55 53.42 3gou s ASP 75 Cb 0.13 0.57 -0.20 0.00 -1.45 0.00 0.00 42.92 41.97 3gou s ASP 75 CO 0.52 -0.32 0.24 -0.07 0.13 0.00 0.00 175.17 175.67 3gou h LEU 76 N 7.63 0.06 -0.63 -1.34 3.38 -1.72 -3.23 115.31 119.47 3gou h LEU 76 Ca -0.03 -0.57 0.12 0.00 0.09 0.00 0.00 57.88 57.48 3gou h LEU 76 Cb 1.07 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 3gou h LEU 76 CO 0.26 1.54 0.12 -0.65 0.09 0.00 0.00 178.44 179.80 3gou h PRO 77 N -0.85 0.24 0.42 1.13 0.11 -1.92 0.88 132.00 132.01 3gou h PRO 77 Ca -0.36 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 3gou h PRO 77 Cb 1.40 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 3gou h PRO 77 CO -0.17 0.16 -0.24 0.78 -0.21 0.00 0.00 178.00 178.32 3gou h GLY 78 N 0.25 -0.65 2.00 -0.55 0.00 -1.98 -1.04 103.07 101.09 3gou h GLY 78 Ca 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 3gou h GLY 78 CO -0.43 -0.24 -0.05 0.00 0.00 0.00 0.00 176.54 175.81 3gou h ALA 79 N -0.06 1.07 0.00 3.60 0.00 -0.64 -3.19 119.26 120.04 3gou h ALA 79 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gou h ALA 79 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gou h ALA 79 CO 0.06 0.06 -0.19 1.28 0.00 0.00 0.00 179.25 180.46 3gou n LEU 80 N -3.25 1.96 0.24 0.00 4.77 0.27 -4.79 117.00 116.21 3gou n LEU 80 Ca -0.01 -2.82 0.11 0.00 -0.03 0.00 0.00 56.01 53.27 3gou n LEU 80 Cb 0.24 -0.36 0.57 0.00 -2.33 0.00 0.00 43.42 41.54 3gou n LEU 80 CO 0.27 0.73 0.87 0.77 -1.33 0.00 0.00 177.39 178.69 3gou h SER 81 N 0.18 0.00 -0.21 -1.43 4.64 -1.17 -2.90 113.55 112.65 3gou h SER 81 Ca -0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3gou h SER 81 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3gou h SER 81 CO 0.00 0.18 -0.06 0.00 -0.87 0.00 0.00 176.83 176.08 3gou h ALA 82 N 1.82 0.30 0.00 5.18 0.00 -1.86 -2.87 119.26 121.82 3gou h ALA 82 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3gou h ALA 82 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gou h ALA 82 CO 0.02 0.09 -0.28 -0.07 0.00 0.00 0.00 179.25 179.01 3gou h LEU 83 N 0.14 0.00 0.66 0.00 3.38 -1.92 -1.81 115.31 115.77 3gou h LEU 83 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3gou h LEU 83 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 3gou h LEU 83 CO 0.02 0.28 -0.32 0.28 0.09 0.00 0.00 178.44 178.80 3gou h SER 84 N 0.00 -0.76 -0.88 -0.43 0.02 -1.49 -0.15 113.55 109.87 3gou h SER 84 Ca -0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3gou h SER 84 Cb 0.81 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 3gou h SER 84 CO 0.04 -0.52 0.58 0.44 -1.14 0.00 0.00 176.83 176.23 3gou h ASP 85 N -0.93 0.95 -0.01 3.07 3.45 -1.26 0.41 116.42 122.10 3gou h ASP 85 Ca -0.09 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 3gou h ASP 85 Cb 0.69 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3gou h ASP 85 CO 0.15 0.66 -0.00 0.25 -1.57 0.00 0.00 179.24 178.72 3gou h LEU 86 N 1.10 0.03 -0.16 1.55 6.46 -1.35 -1.10 115.31 121.83 3gou h LEU 86 Ca 0.35 -0.36 -0.23 0.00 -0.12 0.00 0.00 57.88 57.51 3gou h LEU 86 Cb 0.01 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 3gou h LEU 86 CO -0.10 0.38 -0.94 0.45 -0.62 0.00 0.00 178.44 177.61 3gou h HIS 87 N -0.33 0.70 0.00 1.25 3.86 -0.48 0.32 115.15 120.47 3gou h HIS 87 Ca 0.00 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 3gou h HIS 87 Cb 0.37 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3gou h HIS 87 CO 0.05 1.19 -0.03 0.00 0.86 0.00 0.00 177.93 180.00 3gou h ALA 88 N 0.69 0.00 -0.13 2.45 0.00 -0.32 -1.39 119.26 120.56 3gou h ALA 88 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gou h ALA 88 Cb 1.57 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3gou h ALA 88 CO 0.17 0.03 -0.05 1.88 0.00 0.00 0.00 179.25 181.28 3gou h TYR 89 N -0.37 0.30 0.04 0.00 0.05 -1.34 -2.67 116.97 112.98 3gou h TYR 89 Ca 0.00 -0.07 -0.24 0.00 0.05 0.00 0.00 58.73 58.47 3gou h TYR 89 Cb 0.03 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 3gou h TYR 89 CO -0.01 0.58 -1.31 -0.22 -1.05 0.00 0.00 178.16 176.15 3gou h LYS 90 N -0.07 0.09 0.00 4.88 3.64 -1.30 -3.38 116.57 120.43 3gou h LYS 90 Ca 0.03 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 3gou h LYS 90 Cb 0.50 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3gou h LYS 90 CO 0.02 1.08 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.61 3gou h LEU 91 N -0.69 0.00 -2.43 5.20 3.38 -0.46 -3.48 115.31 116.84 3gou h LEU 91 Ca -0.32 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.04 3gou h LEU 91 Cb 1.49 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.08 3gou h LEU 91 CO -0.09 0.59 -0.97 0.54 0.09 0.00 0.00 178.44 178.60 3gou n ARG 92 N -3.27 -0.95 -0.54 1.13 1.74 -0.54 -4.89 116.66 109.34 3gou n ARG 92 Ca 0.01 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 3gou n ARG 92 Cb 0.76 -3.44 0.26 0.00 -1.02 0.00 0.00 32.46 29.02 3gou n ARG 92 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3gou s VAL 93 N -4.20 1.73 -0.17 1.55 -7.23 -1.12 -4.98 120.40 105.99 3gou s VAL 93 Ca 0.09 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 3gou s VAL 93 Cb -0.05 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3gou s VAL 93 CO 0.99 0.00 -0.06 -0.62 -0.31 0.00 0.00 175.10 175.10 3gou s ASP 94 N -2.81 4.51 0.66 4.85 -1.08 -1.26 -4.97 116.67 116.56 3gou s ASP 94 Ca 0.68 -0.24 0.31 0.00 -0.52 0.00 0.00 52.55 52.79 3gou s ASP 94 Cb -0.20 -1.74 1.69 0.00 -1.46 0.00 0.00 42.92 41.21 3gou s ASP 94 CO 0.62 0.12 1.97 -0.65 0.52 0.00 0.00 175.17 177.75 3gou h PRO 95 N 7.06 0.00 0.00 4.34 0.11 -2.00 -0.09 132.00 141.42 3gou h PRO 95 Ca -0.32 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 3gou h PRO 95 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3gou h PRO 95 CO 0.60 0.00 -0.21 0.28 -0.21 0.00 0.00 178.00 178.46 3gou h VAL 96 N 0.00 0.94 0.00 3.15 2.07 -2.01 -2.94 116.25 117.46 3gou h VAL 96 Ca 0.02 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3gou h VAL 96 Cb 0.65 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3gou h VAL 96 CO -0.00 0.20 0.00 0.78 0.02 0.00 0.00 177.57 178.57 3gou h ASN 97 N 0.00 0.00 0.50 0.57 -0.26 -1.42 -2.00 115.58 112.97 3gou h ASN 97 Ca -0.00 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.47 3gou h ASN 97 Cb 0.43 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.69 3gou h ASN 97 CO 0.03 0.00 -1.16 -0.26 -1.06 0.00 0.00 177.43 174.97 3gou h PHE 98 N 0.00 0.58 -0.78 1.19 0.04 -1.69 -1.60 116.94 114.68 3gou h PHE 98 Ca 0.00 -0.38 0.06 0.00 2.80 0.00 0.00 57.97 60.45 3gou h PHE 98 Cb 0.65 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.71 3gou h PHE 98 CO 0.00 1.26 0.51 -0.22 -0.60 0.00 0.00 178.31 179.26 3gou h LYS 99 N 0.13 0.82 0.05 1.51 3.64 -1.44 -1.85 116.57 119.42 3gou h LYS 99 Ca -0.13 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 3gou h LYS 99 Cb 1.86 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.50 3gou h LYS 99 CO 0.20 0.54 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.52 3gou h LEU 100 N 0.84 0.19 -1.02 5.20 3.38 -1.29 -3.06 115.31 119.57 3gou h LEU 100 Ca 0.33 -0.96 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 3gou h LEU 100 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3gou h LEU 100 CO -0.11 1.14 -0.25 0.25 0.09 0.00 0.00 178.44 179.56 3gou h LEU 101 N -0.72 0.41 -1.07 1.67 5.85 -1.32 -2.38 115.31 117.75 3gou h LEU 101 Ca -0.06 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3gou h LEU 101 Cb 1.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3gou h LEU 101 CO 0.06 0.66 -0.20 0.28 -0.34 0.00 0.00 178.44 178.90 3gou h SER 102 N 0.37 0.41 -0.41 1.25 0.02 -1.41 0.75 113.55 114.52 3gou h SER 102 Ca 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3gou h SER 102 Cb 0.63 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3gou h SER 102 CO 0.05 0.63 0.23 -0.74 -1.14 0.00 0.00 176.83 175.85 3gou h HIS 103 N 0.38 0.56 0.00 3.45 -0.00 -1.39 -2.19 115.15 115.96 3gou h HIS 103 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3gou h HIS 103 Cb 0.57 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3gou h HIS 103 CO 0.02 0.43 0.00 0.00 -0.00 0.00 0.00 177.93 178.38 3gou h LEU 105 N 0.00 0.67 -0.09 0.00 -0.00 0.72 -2.97 115.31 113.64 3gou h LEU 105 Ca 0.00 -0.51 -0.04 0.00 -0.00 0.00 0.00 57.88 57.33 3gou h LEU 105 Cb 0.52 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 3gou h LEU 105 CO 0.00 1.30 -0.11 -0.07 -0.00 0.00 0.00 178.44 179.56 3gou h LEU 106 N 0.31 0.25 -1.36 1.67 3.38 -0.69 -2.83 115.31 116.04 3gou h LEU 106 Ca -0.08 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.43 3gou h LEU 106 Cb 1.56 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.19 3gou h LEU 106 CO 0.17 0.71 0.48 0.58 0.09 0.00 0.00 178.44 180.46 3gou h VAL 107 N -0.21 1.05 -0.32 1.22 2.07 -1.09 0.62 116.25 119.59 3gou h VAL 107 Ca 0.01 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 3gou h VAL 107 Cb 0.65 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3gou h VAL 107 CO 0.03 0.15 -0.27 0.74 0.02 0.00 0.00 177.57 178.24 3gou h THR 108 N 0.80 1.29 -0.19 2.57 2.02 -1.57 -2.42 112.91 115.41 3gou h THR 108 Ca 0.30 -1.42 0.03 0.00 0.77 0.00 0.00 66.41 66.09 3gou h THR 108 Cb 0.19 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3gou h THR 108 CO -0.10 0.46 -0.01 -0.07 0.37 0.00 0.00 175.52 176.17 3gou h LEU 109 N 0.51 -0.10 -1.38 2.58 4.07 -0.78 -2.30 115.31 117.92 3gou h LEU 109 Ca 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 3gou h LEU 109 Cb 0.83 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 3gou h LEU 109 CO 0.07 -0.03 0.22 0.00 -1.08 0.00 0.00 178.44 177.62 3gou h ALA 110 N 1.17 1.52 0.00 1.53 0.00 -0.95 0.24 119.26 122.77 3gou h ALA 110 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gou h ALA 110 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gou h ALA 110 CO -0.16 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 3gou n HIS 112 N -3.43 0.00 -3.15 0.00 -0.00 -0.35 -4.85 115.22 103.44 3gou n HIS 112 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.47 3gou n HIS 112 Cb 0.19 -0.21 -0.05 0.00 -0.00 0.00 0.00 29.99 29.92 3gou n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3gou n HIS 113 N -2.13 1.73 0.22 4.41 8.25 -0.07 -4.92 115.22 122.72 3gou n HIS 113 Ca -0.07 -3.87 0.06 0.00 -0.26 0.00 0.00 57.72 53.58 3gou n HIS 113 Cb 0.60 -0.45 0.50 0.00 1.12 0.00 0.00 29.99 31.77 3gou n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gou h PRO 114 N 3.34 0.00 0.00 -0.41 0.13 -1.80 -1.55 132.00 131.71 3gou h PRO 114 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 3gou h PRO 114 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3gou h PRO 114 CO 0.64 0.23 -0.40 1.15 -0.23 0.00 0.00 178.00 179.38 3gou h THR 115 N 0.00 1.27 0.00 1.56 2.02 -1.93 -3.16 112.91 112.67 3gou h THR 115 Ca -0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3gou h THR 115 Cb 0.43 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3gou h THR 115 CO 0.03 0.39 -1.36 -1.84 0.37 0.00 0.00 175.52 173.12 3gou n GLU 116 N -4.04 0.49 -2.26 6.66 0.00 -0.66 -4.65 120.64 116.18 3gou n GLU 116 Ca -0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 57.16 56.64 3gou n GLU 116 Cb 0.43 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.41 3gou n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3gou n PHE 117 N -1.78 2.89 -3.16 -1.84 7.35 -0.74 -4.74 117.46 115.43 3gou n PHE 117 Ca 0.01 -2.80 -0.28 0.00 -0.76 0.00 0.00 57.45 53.62 3gou n PHE 117 Cb 0.40 -1.95 -0.02 0.00 0.35 0.00 0.00 39.48 38.26 3gou n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3gou s THR 118 N 0.29 4.98 0.29 -2.13 -4.23 -1.26 -4.80 115.64 108.77 3gou s THR 118 Ca 0.42 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 61.06 3gou s THR 118 Cb 0.11 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.46 3gou s THR 118 CO -0.01 -0.47 1.73 1.55 -0.54 0.00 0.00 174.62 176.88 3gou h PRO 119 N 1.26 0.53 -0.43 3.99 0.13 -1.98 0.53 132.00 136.04 3gou h PRO 119 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3gou h PRO 119 Cb 1.20 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3gou h PRO 119 CO 0.64 0.35 0.20 0.00 -0.23 0.00 0.00 178.00 178.97 3gou h ALA 120 N 1.66 1.54 0.19 -0.56 0.00 -1.96 0.34 119.26 120.46 3gou h ALA 120 Ca 0.55 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 55.04 3gou h ALA 120 Cb 0.94 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.59 3gou h ALA 120 CO -0.45 0.37 -1.37 0.28 0.00 0.00 0.00 179.25 178.08 3gou h VAL 121 N 0.61 1.28 -0.83 0.00 2.07 -0.46 -2.71 116.25 116.22 3gou h VAL 121 Ca 0.15 -2.59 0.13 0.00 0.82 0.00 0.00 66.70 65.22 3gou h VAL 121 Cb 0.08 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 3gou h VAL 121 CO -0.02 0.78 0.54 -0.74 0.02 0.00 0.00 177.57 178.15 3gou h HIS 122 N 0.21 0.72 -0.00 1.57 6.17 0.07 0.18 115.15 124.06 3gou h HIS 122 Ca -0.23 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 60.72 3gou h HIS 122 Cb 2.05 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 31.74 3gou h HIS 122 CO 0.12 0.28 -0.71 0.00 0.71 0.00 0.00 177.93 178.33 3gou h ALA 123 N 1.61 0.82 0.00 5.26 0.00 -0.84 -1.82 119.26 124.29 3gou h ALA 123 Ca 0.41 -0.65 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 3gou h ALA 123 Cb 0.69 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3gou h ALA 123 CO -0.17 0.89 -1.57 0.77 0.00 0.00 0.00 179.25 179.17 3gou h SER 124 N 0.00 0.00 -0.14 0.00 0.02 -0.89 -2.58 113.55 109.97 3gou h SER 124 Ca -0.01 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3gou h SER 124 Cb 1.26 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.81 3gou h SER 124 CO 0.09 0.99 -0.63 -0.07 -1.14 0.00 0.00 176.83 176.08 3gou h LEU 125 N 0.00 0.79 -1.13 5.07 4.07 -1.08 -0.26 115.31 122.77 3gou h LEU 125 Ca -0.23 -0.63 0.06 0.00 0.08 0.00 0.00 57.88 57.16 3gou h LEU 125 Cb 1.96 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 43.41 3gou h LEU 125 CO 0.09 1.29 0.60 -0.78 -1.08 0.00 0.00 178.44 178.55 3gou h ASP 126 N 0.34 0.94 -0.47 -0.43 -0.00 -1.38 -0.97 116.42 114.45 3gou h ASP 126 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.87 3gou h ASP 126 Cb 1.26 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 40.38 3gou h ASP 126 CO 0.13 0.61 -0.16 0.11 -0.00 0.00 0.00 179.24 179.93 3gou h LYS 127 N 1.07 0.97 -0.15 0.28 1.57 -1.36 -2.57 116.57 116.38 3gou h LYS 127 Ca 0.39 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3gou h LYS 127 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3gou h LYS 127 CO -0.14 1.05 0.07 0.35 -0.57 0.00 0.00 179.45 180.21 3gou h PHE 128 N 0.85 0.21 -0.14 -1.35 3.57 -0.25 -2.11 116.94 117.73 3gou h PHE 128 Ca 0.12 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3gou h PHE 128 Cb 0.72 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3gou h PHE 128 CO 0.05 0.25 -0.34 0.74 -2.23 0.00 0.00 178.31 176.78 3gou h PHE 129 N 0.11 0.31 -0.53 0.41 0.05 -1.21 -2.34 116.94 113.75 3gou h PHE 129 Ca 0.05 -0.07 -0.10 0.00 3.82 0.00 0.00 57.97 61.67 3gou h PHE 129 Cb 0.12 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 3gou h PHE 129 CO -0.03 0.59 -0.07 0.00 -0.18 0.00 0.00 178.31 178.62 3gou h ALA 130 N 1.41 0.88 -0.60 2.45 0.00 -1.41 0.12 119.26 122.11 3gou h ALA 130 Ca 0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3gou h ALA 130 Cb 0.72 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gou h ALA 130 CO 0.05 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.04 3gou h ALA 131 N 1.05 0.80 -0.51 0.00 0.00 -1.04 -0.70 119.26 118.86 3gou h ALA 131 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3gou h ALA 131 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gou h ALA 131 CO 0.04 0.56 0.04 0.28 0.00 0.00 0.00 179.25 180.16 3gou h VAL 132 N 0.90 1.24 -0.54 0.00 2.07 -1.22 -2.10 116.25 116.60 3gou h VAL 132 Ca 0.18 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 3gou h VAL 132 Cb 0.43 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3gou h VAL 132 CO 0.01 0.35 -0.09 0.28 0.02 0.00 0.00 177.57 178.14 3gou h SER 133 N 0.78 0.99 -0.36 0.57 0.02 -0.35 -2.68 113.55 112.52 3gou h SER 133 Ca 0.16 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3gou h SER 133 Cb 0.41 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3gou h SER 133 CO 0.01 1.10 -0.02 0.74 -1.14 0.00 0.00 176.83 177.52 3gou h THR 134 N 0.89 1.24 -0.43 -2.27 2.02 -0.94 -0.95 112.91 112.47 3gou h THR 134 Ca 0.14 -1.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 3gou h THR 134 Cb 0.64 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3gou h THR 134 CO 0.04 0.35 -0.24 0.58 0.37 0.00 0.00 175.52 176.62 3gou h VAL 135 N 0.70 1.27 0.00 3.16 2.07 -1.32 -2.22 116.25 119.92 3gou h VAL 135 Ca 0.14 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3gou h VAL 135 Cb 0.46 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3gou h VAL 135 CO 0.02 0.48 -0.10 -0.07 0.02 0.00 0.00 177.57 177.92 3gou h LEU 136 N 0.75 0.00 -1.51 2.57 3.38 -1.25 -2.25 115.31 116.99 3gou h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gou h LEU 136 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3gou h LEU 136 CO 0.07 0.10 0.00 0.35 0.09 0.00 0.00 178.44 179.05 3gou n THR 137 N -3.13 0.25 0.18 0.22 -2.24 -0.38 -4.21 114.28 104.97 3gou n THR 137 Ca 0.03 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 3gou n THR 137 Cb 0.55 0.66 0.65 0.00 -2.10 0.00 0.00 70.33 70.09 3gou n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gou h SER 138 N 3.10 0.01 0.92 3.42 4.64 -0.76 -1.27 113.55 123.61 3gou h SER 138 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gou h SER 138 Cb 0.68 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3gou h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3gou n LYS 139 N -4.49 0.11 0.05 4.77 4.76 -1.26 -1.91 118.16 120.19 3gou n LYS 139 Ca 0.01 0.22 -0.18 0.00 -2.87 0.00 0.00 58.31 55.49 3gou n LYS 139 Cb 0.24 -1.66 -0.08 0.00 -1.84 0.00 0.00 35.03 31.68 3gou n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3gou h TYR 140 N 0.00 0.89 0.00 2.13 0.99 -1.59 -3.49 116.97 115.90 3gou h TYR 140 Ca 0.00 -0.49 0.00 0.00 2.00 0.00 0.00 58.73 60.24 3gou h TYR 140 Cb 0.46 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.09 3gou h TYR 140 CO 0.00 1.32 0.00 0.54 -0.00 0.00 0.00 178.16 180.02