#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3deu n GLU 3 N 0.00 0.09 -3.42 3.23 -0.58 -1.26 -4.92 120.64 113.78 3deu n GLU 3 Ca 0.00 -0.06 -0.37 0.00 -0.42 0.00 0.00 57.16 56.31 3deu n GLU 3 Cb 0.00 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.31 3deu n GLU 3 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3deu s SER 4 N -2.95 6.56 -1.33 1.62 1.04 -1.26 -4.92 113.70 112.46 3deu s SER 4 Ca 0.12 0.66 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 3deu s SER 4 Cb 0.17 -2.23 0.04 0.00 0.10 0.00 0.00 66.02 64.10 3deu s SER 4 CO 0.70 0.05 1.97 -0.81 0.98 0.00 0.00 173.24 176.13 3deu n PRO 5 N 3.64 2.86 0.22 4.02 -0.04 -1.26 -4.76 135.00 139.68 3deu n PRO 5 Ca -0.09 -2.86 0.08 0.00 -0.04 0.00 0.00 63.50 60.59 3deu n PRO 5 Cb 0.52 -3.39 0.51 0.00 -0.04 0.00 0.00 33.50 31.10 3deu n PRO 5 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3deu h LEU 6 N 11.82 0.00 0.00 1.53 5.85 -1.97 -2.29 115.31 130.24 3deu h LEU 6 Ca 0.49 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 3deu h LEU 6 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3deu h LEU 6 CO 1.66 0.25 -0.00 1.23 -0.34 0.00 0.00 178.44 181.24 3deu h GLY 7 N 1.31 -0.00 2.00 3.75 0.00 -1.99 -1.57 103.07 106.57 3deu h GLY 7 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3deu h GLY 7 CO 0.03 -0.00 -0.08 1.48 0.00 0.00 0.00 176.54 177.97 3deu h SER 8 N -0.95 0.00 -0.12 0.19 4.64 -1.97 -1.25 113.55 114.10 3deu h SER 8 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3deu h SER 8 Cb 0.92 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3deu h SER 8 CO 0.00 0.08 -0.56 0.44 -0.87 0.00 0.00 176.83 175.91 3deu h ASP 9 N 0.00 0.70 -0.64 4.97 3.32 -1.34 -2.51 116.42 120.92 3deu h ASP 9 Ca -0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 3deu h ASP 9 Cb 0.15 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3deu h ASP 9 CO 0.01 1.22 0.28 -0.07 -1.72 0.00 0.00 179.24 178.96 3deu h LEU 10 N 0.23 0.88 -0.04 1.55 3.38 -1.00 -2.21 115.31 118.10 3deu h LEU 10 Ca -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3deu h LEU 10 Cb 1.20 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3deu h LEU 10 CO 0.12 0.78 -0.01 0.00 0.09 0.00 0.00 178.44 179.42 3deu h ALA 11 N 1.35 0.06 -0.48 1.53 0.00 -1.17 -0.97 119.26 119.58 3deu h ALA 11 Ca 0.23 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3deu h ALA 11 Cb 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3deu h ALA 11 CO -0.02 -0.24 0.17 -0.09 0.00 0.00 0.00 179.25 179.07 3deu h ARG 12 N -0.28 0.34 -0.28 0.00 2.43 -1.41 -0.20 114.38 114.97 3deu h ARG 12 Ca 0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3deu h ARG 12 Cb 0.40 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3deu h ARG 12 CO 0.00 0.22 -0.03 1.25 -1.51 0.00 0.00 179.97 179.90 3deu h LEU 13 N 0.35 -0.18 -0.95 3.80 5.85 -1.16 -0.48 115.31 122.53 3deu h LEU 13 Ca 0.23 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.05 3deu h LEU 13 Cb 0.24 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3deu h LEU 13 CO -0.24 -0.06 0.63 0.58 -0.34 0.00 0.00 178.44 179.01 3deu h VAL 14 N 0.04 1.20 -0.30 1.05 2.07 -0.56 -1.56 116.25 118.19 3deu h VAL 14 Ca 0.13 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3deu h VAL 14 Cb 0.19 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3deu h VAL 14 CO -0.26 0.23 -0.20 0.03 0.02 0.00 0.00 177.57 177.39 3deu h ARG 15 N 1.24 0.67 0.00 1.57 3.08 -0.14 -0.92 114.38 119.88 3deu h ARG 15 Ca 0.37 -0.32 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 3deu h ARG 15 Cb -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3deu h ARG 15 CO -0.10 0.92 -0.63 -0.84 -1.07 0.00 0.00 179.97 178.24 3deu h ILE 16 N 0.42 1.45 -0.43 2.04 3.07 -1.10 -1.87 117.51 121.09 3deu h ILE 16 Ca 0.06 -2.18 -0.11 0.00 1.55 0.00 0.00 64.86 64.18 3deu h ILE 16 Cb 0.74 2.17 -0.01 0.00 -0.27 0.00 0.00 36.82 39.46 3deu h ILE 16 CO 0.05 0.62 -0.18 -0.25 -1.05 0.00 0.00 178.15 177.35 3deu h TRP 17 N 0.00 1.01 -0.43 0.16 2.91 -1.16 -2.39 115.95 116.05 3deu h TRP 17 Ca -0.01 -0.24 -0.09 0.00 1.13 0.00 0.00 58.89 59.68 3deu h TRP 17 Cb 1.12 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.52 3deu h TRP 17 CO 0.00 1.02 -0.10 -0.09 -1.03 0.00 0.00 178.44 178.24 3deu h ARG 18 N 0.71 0.76 -0.49 2.65 2.43 -1.09 -2.12 114.38 117.23 3deu h ARG 18 Ca 0.10 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3deu h ARG 18 Cb 0.74 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3deu h ARG 18 CO 0.06 0.83 0.25 0.00 -1.51 0.00 0.00 179.97 179.59 3deu h ALA 19 N 1.20 0.63 -0.23 2.80 0.00 -1.25 0.40 119.26 122.80 3deu h ALA 19 Ca 0.12 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3deu h ALA 19 Cb 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3deu h ALA 19 CO 0.03 0.18 0.06 1.25 0.00 0.00 0.00 179.25 180.77 3deu h LEU 20 N 0.64 0.05 -0.69 0.00 5.85 -1.31 0.10 115.31 119.95 3deu h LEU 20 Ca 0.17 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3deu h LEU 20 Cb 0.10 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3deu h LEU 20 CO -0.02 0.06 0.17 0.40 -0.34 0.00 0.00 178.44 178.70 3deu h ILE 21 N 0.16 1.26 -0.39 4.05 2.04 -0.96 -2.10 117.51 121.56 3deu h ILE 21 Ca 0.10 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3deu h ILE 21 Cb 0.09 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 3deu h ILE 21 CO -0.12 0.37 0.03 0.44 0.00 0.00 0.00 178.15 178.87 3deu h ASP 22 N 1.04 -0.09 -0.79 1.72 3.32 0.19 0.52 116.42 122.32 3deu h ASP 22 Ca 0.22 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3deu h ASP 22 Cb 0.37 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3deu h ASP 22 CO 0.00 -0.01 0.46 -0.74 -1.72 0.00 0.00 179.24 177.23 3deu h HIS 23 N 0.14 1.07 0.00 4.55 2.76 -0.45 -2.56 115.15 120.66 3deu h HIS 23 Ca 0.19 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3deu h HIS 23 Cb 0.25 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 3deu h HIS 23 CO -0.24 0.73 -0.30 0.00 -1.30 0.00 0.00 177.93 176.82 3deu h ARG 24 N 1.11 0.00 -0.11 5.26 3.08 -0.74 -3.10 114.38 119.88 3deu h ARG 24 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3deu h ARG 24 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3deu h ARG 24 CO -0.05 0.26 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 3deu n LEU 25 N -3.15 1.83 -0.07 3.04 4.77 0.11 -4.44 117.00 119.10 3deu n LEU 25 Ca 0.03 -0.70 -0.07 0.00 -0.03 0.00 0.00 56.01 55.24 3deu n LEU 25 Cb 0.64 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3deu n LEU 25 CO 0.38 0.35 0.82 0.11 -1.33 0.00 0.00 177.39 177.72 3deu h LYS 26 N 2.62 0.02 -1.40 3.23 1.57 -1.38 -1.73 116.57 119.50 3deu h LYS 26 Ca 0.00 -0.00 0.45 0.00 -1.87 0.00 0.00 60.65 59.22 3deu h LYS 26 Cb 0.57 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.76 3deu h LYS 26 CO 0.00 0.01 0.93 -1.35 -0.57 0.00 0.00 179.45 178.47 3deu h PRO 27 N 0.02 0.07 0.00 3.15 0.11 -1.83 2.65 132.00 136.17 3deu h PRO 27 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3deu h PRO 27 Cb 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3deu h PRO 27 CO -0.27 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 178.85 3deu n LEU 28 N -4.56 0.00 -4.15 2.35 4.32 -0.65 -4.89 117.00 109.43 3deu n LEU 28 Ca 0.37 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 56.03 3deu n LEU 28 Cb 1.49 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 43.27 3deu n LEU 28 CO 0.25 0.00 -0.08 -1.84 -1.22 0.00 0.00 177.39 174.50 3deu n GLU 29 N -0.74 -3.24 -3.71 3.23 0.28 0.89 -4.94 120.64 112.40 3deu n GLU 29 Ca 0.11 0.38 -0.35 0.00 -0.16 0.00 0.00 57.16 57.14 3deu n GLU 29 Cb 0.05 -4.93 -0.05 0.00 1.43 0.00 0.00 31.44 27.93 3deu n GLU 29 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3deu s LEU 30 N -7.20 4.38 0.59 -1.84 1.43 -1.26 -5.09 118.68 109.69 3deu s LEU 30 Ca 0.54 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 3deu s LEU 30 Cb -0.29 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3deu s LEU 30 CO 0.92 0.26 1.02 0.42 0.23 0.00 0.00 176.35 179.20 3deu s THR 31 N -1.27 4.43 0.24 5.49 -4.23 -1.26 -4.82 115.64 114.23 3deu s THR 31 Ca 0.27 0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 61.69 3deu s THR 31 Cb -0.14 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.27 3deu s THR 31 CO 0.15 -0.85 1.66 -0.61 -0.54 0.00 0.00 174.62 174.43 3deu h GLN 32 N 0.18 0.17 -0.12 3.99 4.15 -1.98 0.64 115.11 122.14 3deu h GLN 32 Ca -0.45 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 58.80 3deu h GLN 32 Cb 1.19 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 3deu h GLN 32 CO 0.60 0.12 -0.59 1.15 -1.93 0.00 0.00 178.83 178.18 3deu h THR 33 N 0.18 1.35 -0.08 2.39 2.02 -1.98 -1.85 112.91 114.93 3deu h THR 33 Ca 0.41 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.68 3deu h THR 33 Cb 0.72 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3deu h THR 33 CO -0.58 0.58 0.00 0.45 0.37 0.00 0.00 175.52 176.34 3deu h HIS 34 N 0.29 0.15 -0.32 3.16 3.86 -1.57 -1.63 115.15 119.10 3deu h HIS 34 Ca -0.00 -0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 3deu h HIS 34 Cb 1.11 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 3deu h HIS 34 CO 0.03 0.39 -0.43 0.11 0.86 0.00 0.00 177.93 178.89 3deu h TRP 35 N -0.12 0.97 -0.91 2.45 5.08 -0.89 -0.38 115.95 122.15 3deu h TRP 35 Ca 0.02 -0.30 0.00 0.00 1.08 0.00 0.00 58.89 59.69 3deu h TRP 35 Cb 0.32 -0.20 -0.04 0.00 -3.00 0.00 0.00 29.16 26.24 3deu h TRP 35 CO 0.03 1.09 0.57 0.28 -1.28 0.00 0.00 178.44 179.13 3deu h VAL 36 N 0.65 1.24 -0.02 0.12 2.07 -1.38 0.24 116.25 119.17 3deu h VAL 36 Ca 0.05 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3deu h VAL 36 Cb 1.00 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3deu h VAL 36 CO 0.10 0.25 -0.01 0.74 0.02 0.00 0.00 177.57 178.66 3deu h THR 37 N 1.24 1.32 -0.61 2.57 2.02 -0.95 -2.22 112.91 116.29 3deu h THR 37 Ca 0.33 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.56 3deu h THR 37 Cb -0.10 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3deu h THR 37 CO -0.07 0.26 0.38 -0.07 0.37 0.00 0.00 175.52 176.39 3deu h LEU 38 N -0.36 0.61 -1.25 2.58 3.38 -0.89 -0.61 115.31 118.79 3deu h LEU 38 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3deu h LEU 38 Cb 0.42 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3deu h LEU 38 CO 0.00 0.43 0.55 -0.74 0.09 0.00 0.00 178.44 178.77 3deu h HIS 39 N 0.74 0.91 -0.04 1.13 2.76 -0.56 0.72 115.15 120.82 3deu h HIS 39 Ca 0.25 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.24 3deu h HIS 39 Cb 0.02 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.68 3deu h HIS 39 CO -0.05 0.46 -0.81 -0.91 -1.30 0.00 0.00 177.93 175.31 3deu h ASN 40 N 0.88 0.47 0.06 3.26 2.35 -0.74 -1.76 115.58 120.10 3deu h ASN 40 Ca 0.37 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3deu h ASN 40 Cb 0.30 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3deu h ASN 40 CO -0.14 1.10 -0.03 0.40 -1.65 0.00 0.00 177.43 177.11 3deu h ILE 41 N 0.24 1.05 -0.97 2.81 2.04 -0.68 -2.86 117.51 119.14 3deu h ILE 41 Ca -0.05 -0.37 0.13 0.00 1.00 0.00 0.00 64.86 65.57 3deu h ILE 41 Cb 1.41 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 38.70 3deu h ILE 41 CO 0.14 0.09 0.59 -0.74 0.00 0.00 0.00 178.15 178.23 3deu h HIS 42 N -0.24 1.07 0.00 1.37 2.76 -0.78 -1.33 115.15 117.99 3deu h HIS 42 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3deu h HIS 42 Cb 0.21 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.84 3deu h HIS 42 CO -0.02 0.39 0.00 1.04 -1.30 0.00 0.00 177.93 178.04 3deu n GLN 43 N -4.68 0.10 -4.14 5.26 6.02 -0.67 -4.79 117.38 114.49 3deu n GLN 43 Ca 0.19 0.21 -0.27 0.00 -0.01 0.00 0.00 57.00 57.11 3deu n GLN 43 Cb 0.38 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 3deu n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3deu s LEU 44 N -2.78 3.55 1.08 1.08 1.43 -0.50 -5.09 118.68 117.45 3deu s LEU 44 Ca 0.10 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 3deu s LEU 44 Cb 0.09 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 44.16 3deu s LEU 44 CO 0.23 0.10 -0.29 -0.81 0.23 0.00 0.00 176.35 175.81 3deu n PRO 45 N -0.05 -1.37 -2.86 1.29 -0.04 -1.26 -4.98 135.00 125.73 3deu n PRO 45 Ca -0.09 -0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 62.76 3deu n PRO 45 Cb 0.54 -1.51 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 3deu n PRO 45 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3deu s PRO 46 N -3.13 1.95 0.00 0.54 0.04 -1.26 -4.65 135.00 128.50 3deu s PRO 46 Ca 0.49 -1.49 0.00 0.00 0.04 0.00 0.00 61.00 60.03 3deu s PRO 46 Cb -0.06 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3deu s PRO 46 CO 0.61 -1.19 0.00 -0.25 0.04 0.00 0.00 177.00 176.21 3deu n ASP 47 N -2.54 -7.20 -3.77 6.66 8.00 -1.19 -4.98 116.55 111.53 3deu n ASP 47 Ca 0.16 0.85 -0.13 0.00 0.71 0.00 0.00 54.79 56.39 3deu n ASP 47 Cb 0.61 -1.47 -0.13 0.00 -0.02 0.00 0.00 41.12 40.11 3deu n ASP 47 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3deu s GLN 48 N -0.11 0.19 0.64 -1.24 2.00 -1.24 -4.89 119.66 115.01 3deu s GLN 48 Ca 0.00 0.38 -0.11 0.00 -2.00 0.00 0.00 55.36 53.63 3deu s GLN 48 Cb 0.00 -0.04 -0.03 0.00 0.80 0.00 0.00 33.01 33.75 3deu s GLN 48 CO 0.00 -0.10 1.04 -1.54 -0.50 0.00 0.00 175.29 174.19 3deu s SER 49 N 0.74 5.99 0.33 6.67 1.04 -1.26 -0.56 113.70 126.65 3deu s SER 49 Ca -0.05 1.44 0.06 0.00 0.48 0.00 0.00 55.95 57.88 3deu s SER 49 Cb -0.07 -2.44 0.72 0.00 0.10 0.00 0.00 66.02 64.33 3deu s SER 49 CO -0.04 -1.03 1.87 1.56 0.98 0.00 0.00 173.24 176.59 3deu h GLN 50 N -0.43 0.78 -0.33 4.02 4.20 -1.99 -1.08 115.11 120.28 3deu h GLN 50 Ca -0.44 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.13 3deu h GLN 50 Cb 1.20 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 3deu h GLN 50 CO 0.61 0.52 -0.15 0.82 -0.67 0.00 0.00 178.83 179.95 3deu h ILE 51 N 0.80 1.29 -0.50 2.54 5.03 -1.99 0.15 117.51 124.83 3deu h ILE 51 Ca 0.44 -1.26 -0.05 0.00 -0.12 0.00 0.00 64.86 63.87 3deu h ILE 51 Cb 0.57 1.39 -0.02 0.00 -3.03 0.00 0.00 36.82 35.73 3deu h ILE 51 CO -0.20 0.41 0.13 1.56 -0.68 0.00 0.00 178.15 179.37 3deu h GLN 52 N 0.47 0.80 -0.31 2.37 4.20 -1.86 -1.05 115.11 119.73 3deu h GLN 52 Ca 0.08 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 3deu h GLN 52 Cb 0.69 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3deu h GLN 52 CO 0.05 0.77 -0.11 1.25 -0.67 0.00 0.00 178.83 180.11 3deu h LEU 53 N 0.69 0.64 -0.69 1.46 5.85 -0.83 -0.30 115.31 122.13 3deu h LEU 53 Ca 0.16 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3deu h LEU 53 Cb 0.32 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3deu h LEU 53 CO 0.00 0.88 0.36 0.00 -0.34 0.00 0.00 178.44 179.34 3deu h ALA 54 N 0.78 0.89 -0.88 1.25 0.00 -0.67 0.67 119.26 121.29 3deu h ALA 54 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3deu h ALA 54 Cb 0.62 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3deu h ALA 54 CO 0.04 0.42 0.57 -0.22 0.00 0.00 0.00 179.25 180.06 3deu h LYS 55 N 0.95 1.17 -0.49 0.00 3.64 -1.07 0.59 116.57 121.37 3deu h LYS 55 Ca 0.24 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3deu h LYS 55 Cb 0.07 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3deu h LYS 55 CO -0.03 0.79 -0.09 0.00 -2.27 0.00 0.00 179.45 177.85 3deu h ALA 56 N 1.31 0.67 0.00 5.00 0.00 -0.09 -2.94 119.26 123.21 3deu h ALA 56 Ca 0.32 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3deu h ALA 56 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3deu h ALA 56 CO -0.07 0.55 -0.61 0.82 0.00 0.00 0.00 179.25 179.95 3deu h ILE 57 N 0.77 1.38 -0.15 0.00 2.04 -0.71 -3.48 117.51 117.37 3deu h ILE 57 Ca 0.13 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.87 3deu h ILE 57 Cb 0.64 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3deu h ILE 57 CO 0.04 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.40 3deu n GLY 58 N 0.32 0.96 3.58 5.37 0.00 0.09 -5.09 105.19 110.41 3deu n GLY 58 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3deu n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3deu s ILE 59 N -2.15 0.70 -0.11 -0.61 -4.36 -0.55 -5.03 121.20 109.08 3deu s ILE 59 Ca 0.00 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.21 3deu s ILE 59 Cb 0.00 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 3deu s ILE 59 CO 0.00 0.00 0.47 -1.61 0.24 0.00 0.00 174.94 174.04 3deu s GLU 60 N -3.73 4.32 0.17 0.37 2.02 -1.26 -4.50 118.70 116.08 3deu s GLU 60 Ca 0.18 0.45 -0.13 0.00 0.02 0.00 0.00 54.97 55.48 3deu s GLU 60 Cb 0.02 -3.42 0.17 0.00 0.10 0.00 0.00 34.13 31.00 3deu s GLU 60 CO 0.12 0.19 1.16 1.04 0.02 0.00 0.00 175.26 177.79 3deu n GLN 61 N 3.55 -0.18 0.00 1.61 6.02 -1.26 0.14 117.38 127.26 3deu n GLN 61 Ca -0.08 1.15 0.21 0.00 -0.01 0.00 0.00 57.00 58.27 3deu n GLN 61 Cb 0.52 -1.71 0.71 0.00 1.02 0.00 0.00 30.24 30.78 3deu n GLN 61 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3deu h PRO 62 N 0.00 0.00 -0.33 -1.09 0.11 -2.00 0.27 132.00 128.96 3deu h PRO 62 Ca 0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 3deu h PRO 62 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3deu h PRO 62 CO -0.74 0.00 -0.38 0.77 -0.21 0.00 0.00 178.00 177.44 3deu h SER 63 N 0.00 0.84 -0.30 -2.05 0.02 0.81 -3.21 113.55 109.67 3deu h SER 63 Ca 0.26 -0.38 -0.18 0.00 -0.84 0.00 0.00 61.79 60.65 3deu h SER 63 Cb 1.08 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 3deu h SER 63 CO -0.00 1.13 -0.51 0.25 -1.14 0.00 0.00 176.83 176.55 3deu h LEU 64 N 0.65 0.97 -1.14 5.07 5.85 -0.17 -3.32 115.31 123.21 3deu h LEU 64 Ca 0.06 -0.52 0.12 0.00 0.84 0.00 0.00 57.88 58.37 3deu h LEU 64 Cb 0.94 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 3deu h LEU 64 CO 0.09 1.31 0.60 0.58 -0.34 0.00 0.00 178.44 180.67 3deu h VAL 65 N 0.66 0.91 -0.35 1.05 2.07 -0.76 0.94 116.25 120.78 3deu h VAL 65 Ca 0.02 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 3deu h VAL 65 Cb 1.12 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3deu h VAL 65 CO 0.12 0.16 -0.43 -0.09 0.02 0.00 0.00 177.57 177.35 3deu h ARG 66 N 0.88 0.88 -0.19 1.57 2.43 -1.68 -0.00 114.38 118.27 3deu h ARG 66 Ca 0.46 -0.49 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3deu h ARG 66 Cb 0.53 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3deu h ARG 66 CO -0.23 1.13 -0.10 1.79 -1.51 0.00 0.00 179.97 181.05 3deu h THR 67 N 0.71 1.31 -0.75 0.20 1.35 -1.27 -2.33 112.91 112.13 3deu h THR 67 Ca 0.05 -1.18 0.06 0.00 -0.55 0.00 0.00 66.41 64.80 3deu h THR 67 Cb 1.02 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 69.07 3deu h THR 67 CO 0.10 0.35 0.50 -0.07 -0.25 0.00 0.00 175.52 176.15 3deu h LEU 68 N 0.10 0.70 -0.28 3.87 3.38 -0.67 -0.83 115.31 121.59 3deu h LEU 68 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3deu h LEU 68 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3deu h LEU 68 CO 0.03 0.45 -0.22 0.44 0.09 0.00 0.00 178.44 179.24 3deu h ASP 69 N 0.80 0.67 -0.65 -0.43 3.32 -0.80 -1.18 116.42 118.14 3deu h ASP 69 Ca 0.33 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3deu h ASP 69 Cb 0.25 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3deu h ASP 69 CO -0.11 0.98 0.20 1.56 -1.72 0.00 0.00 179.24 180.14 3deu h GLN 70 N 0.37 1.02 0.00 3.56 4.20 -0.84 0.20 115.11 123.62 3deu h GLN 70 Ca 0.05 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3deu h GLN 70 Cb 0.76 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3deu h GLN 70 CO 0.06 0.90 -0.00 -0.07 -0.67 0.00 0.00 178.83 179.04 3deu h LEU 71 N 0.95 0.00 0.09 1.46 3.38 -1.03 -2.30 115.31 117.86 3deu h LEU 71 Ca 0.21 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.90 3deu h LEU 71 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3deu h LEU 71 CO -0.01 0.00 -1.35 -0.08 0.09 0.00 0.00 178.44 177.10 3deu h GLU 72 N 0.00 0.19 -0.20 1.13 4.81 -0.53 -1.47 114.58 118.50 3deu h GLU 72 Ca -0.00 -0.33 0.06 0.00 -0.13 0.00 0.00 59.36 58.96 3deu h GLU 72 Cb 0.01 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3deu h GLU 72 CO 0.00 1.08 0.21 -0.44 -0.73 0.00 0.00 179.01 179.13 3deu h ASP 73 N 0.05 0.00 -0.48 1.04 3.32 -0.06 -1.37 116.42 118.93 3deu h ASP 73 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3deu h ASP 73 Cb 1.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.51 3deu h ASP 73 CO 0.16 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.97 3deu n LYS 74 N -3.87 3.01 -2.71 3.56 5.02 -1.08 -4.94 118.16 117.15 3deu n LYS 74 Ca 0.02 -2.44 -0.17 0.00 -2.02 0.00 0.00 58.31 53.70 3deu n LYS 74 Cb 0.34 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3deu n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3deu n GLY 75 N 0.77 -0.50 0.21 0.72 0.00 -0.52 -4.78 105.19 101.09 3deu n GLY 75 Ca 0.18 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3deu n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3deu h LEU 76 N -0.38 0.00 -7.62 0.99 3.38 -1.54 -3.40 115.31 106.74 3deu h LEU 76 Ca -0.37 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 3deu h LEU 76 Cb 1.27 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.83 3deu h LEU 76 CO 0.44 0.00 -0.34 -0.63 0.09 0.00 0.00 178.44 178.00 3deu s ILE 77 N -3.20 0.08 0.03 1.22 1.09 -1.19 -1.37 121.20 117.85 3deu s ILE 77 Ca 0.07 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 59.00 3deu s ILE 77 Cb 0.06 -0.72 -0.02 0.00 -1.06 0.00 0.00 42.46 40.72 3deu s ILE 77 CO 0.67 -0.36 -0.11 -0.44 -0.10 0.00 0.00 174.94 174.60 3deu s SER 78 N -1.67 1.26 0.10 3.58 0.01 0.27 -4.44 113.70 112.82 3deu s SER 78 Ca -0.10 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.82 3deu s SER 78 Cb -0.04 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 3deu s SER 78 CO 0.00 0.00 -0.12 -0.13 0.41 0.00 0.00 173.24 173.40 3deu s ARG 79 N -0.95 0.91 0.00 12.44 0.52 -1.26 -1.90 118.95 128.72 3deu s ARG 79 Ca -0.00 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 3deu s ARG 79 Cb -0.07 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.69 3deu s ARG 79 CO 0.01 0.13 0.00 0.54 0.02 0.00 0.00 175.30 176.00 3deu n ARG 90 N 0.64 0.00 -4.45 3.54 5.12 -1.26 -5.00 116.66 115.24 3deu n ARG 90 Ca -0.16 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.42 3deu n ARG 90 Cb 0.57 -0.10 -0.12 0.00 -1.16 0.00 0.00 32.46 31.65 3deu n ARG 90 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3deu s ILE 91 N -0.95 3.88 -0.06 0.55 1.01 0.27 -4.87 121.20 121.03 3deu s ILE 91 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3deu s ILE 91 Cb 0.00 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.83 3deu s ILE 91 CO 0.00 0.53 -0.04 -0.54 0.00 0.00 0.00 174.94 174.89 3deu s LYS 92 N -0.00 0.91 0.43 2.79 1.02 -0.80 -3.19 119.74 120.90 3deu s LYS 92 Ca 0.01 -0.09 -0.25 0.00 0.02 0.00 0.00 55.97 55.66 3deu s LYS 92 Cb -0.13 -1.00 -0.08 0.00 -0.52 0.00 0.00 37.83 36.09 3deu s LYS 92 CO 0.03 -0.16 1.37 -0.51 -0.92 0.00 0.00 175.35 175.16 3deu s LEU 93 N 1.28 4.15 0.61 3.17 1.43 -1.26 -0.57 118.68 127.49 3deu s LEU 93 Ca -0.05 2.81 -0.05 0.00 -1.03 0.00 0.00 54.13 55.81 3deu s LEU 93 Cb -0.14 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.18 3deu s LEU 93 CO -0.02 -1.05 0.90 0.42 0.23 0.00 0.00 176.35 176.83 3deu s THR 94 N -1.23 3.07 0.23 5.49 -4.23 -0.47 -4.83 115.64 113.67 3deu s THR 94 Ca 0.59 -0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 3deu s THR 94 Cb -0.41 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.49 3deu s THR 94 CO 0.53 -0.23 1.60 -0.33 -0.54 0.00 0.00 174.62 175.65 3deu h GLU 95 N -0.24 -0.02 -0.77 3.99 4.39 -1.90 -2.30 114.58 117.74 3deu h GLU 95 Ca -0.45 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.45 3deu h GLU 95 Cb 1.28 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 3deu h GLU 95 CO 0.59 -0.01 0.54 0.87 -1.16 0.00 0.00 179.01 179.84 3deu h LYS 96 N -0.02 0.15 0.00 2.33 1.57 -1.92 -2.67 116.57 116.01 3deu h LYS 96 Ca 0.35 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 3deu h LYS 96 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3deu h LYS 96 CO -0.78 0.10 -0.80 0.00 -0.57 0.00 0.00 179.45 177.39 3deu h ALA 97 N 1.63 0.54 -0.59 3.86 0.00 -1.64 -3.38 119.26 119.67 3deu h ALA 97 Ca 0.38 -0.71 0.12 0.00 0.00 0.00 0.00 54.91 54.70 3deu h ALA 97 Cb 1.25 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 3deu h ALA 97 CO -0.06 0.94 -0.10 1.49 0.00 0.00 0.00 179.25 181.52 3deu h GLU 98 N 0.00 0.03 0.00 0.00 4.81 -1.42 0.78 114.58 118.78 3deu h GLU 98 Ca -0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3deu h GLU 98 Cb 1.58 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.95 3deu h GLU 98 CO 0.09 0.02 0.00 -2.30 -0.73 0.00 0.00 179.01 176.09 3deu n PRO 99 N -5.37 0.00 0.00 0.92 -0.01 -1.26 -1.18 135.00 128.11 3deu n PRO 99 Ca 0.07 0.43 0.00 0.00 -0.01 0.00 0.00 63.50 64.00 3deu n PRO 99 Cb 0.32 -1.06 0.00 0.00 -0.01 0.00 0.00 33.50 32.75 3deu n PRO 99 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 175.50 175.38 3deu n LEU 100 N -1.10 0.00 -0.36 2.45 0.00 -1.09 -0.26 117.00 116.64 3deu n LEU 100 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.03 3deu n LEU 100 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 43.42 43.59 3deu n LEU 100 CO 0.00 0.00 1.25 0.40 0.00 0.00 0.00 177.39 179.04 3deu h ILE 101 N 0.00 1.08 -0.17 1.96 1.08 0.70 -1.10 117.51 121.06 3deu h ILE 101 Ca 0.00 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 3deu h ILE 101 Cb 0.00 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.59 3deu h ILE 101 CO 0.00 0.21 0.07 0.00 -0.69 0.00 0.00 178.15 177.74 3deu h ALA 102 N 1.44 0.23 -0.47 1.87 0.00 0.89 0.83 119.26 124.04 3deu h ALA 102 Ca 0.42 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3deu h ALA 102 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3deu h ALA 102 CO -0.17 -0.19 -0.08 0.93 0.00 0.00 0.00 179.25 179.74 3deu h GLU 103 N 0.13 0.83 -0.09 0.00 5.08 -0.55 -1.22 114.58 118.76 3deu h GLU 103 Ca 0.06 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3deu h GLU 103 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3deu h GLU 103 CO -0.01 0.88 -0.02 1.98 -1.00 0.00 0.00 179.01 180.85 3deu h MET 104 N 0.75 0.17 -0.61 2.33 4.05 -0.91 -2.58 114.93 118.13 3deu h MET 104 Ca 0.13 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 3deu h MET 104 Cb 0.56 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 3deu h MET 104 CO 0.03 0.47 0.20 0.93 0.23 0.00 0.00 176.91 178.78 3deu h GLU 105 N -0.14 0.94 -0.26 0.39 4.39 -0.74 -0.76 114.58 118.40 3deu h GLU 105 Ca 0.02 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.57 3deu h GLU 105 Cb 0.41 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3deu h GLU 105 CO 0.01 0.83 -0.02 1.49 -1.16 0.00 0.00 179.01 180.16 3deu h GLU 106 N 0.87 0.05 -0.90 2.33 4.57 -1.24 0.20 114.58 120.45 3deu h GLU 106 Ca 0.20 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.42 3deu h GLU 106 Cb 0.27 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 3deu h GLU 106 CO -0.01 0.03 0.59 0.28 -1.18 0.00 0.00 179.01 178.72 3deu h VAL 107 N 0.05 1.11 -0.03 0.32 2.07 -1.15 -0.92 116.25 117.71 3deu h VAL 107 Ca 0.12 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3deu h VAL 107 Cb 0.17 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3deu h VAL 107 CO -0.23 0.20 -0.04 0.40 0.02 0.00 0.00 177.57 177.91 3deu h ILE 108 N 1.08 1.42 -0.19 4.57 2.04 -0.45 -0.19 117.51 125.79 3deu h ILE 108 Ca 0.37 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.98 3deu h ILE 108 Cb 0.10 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 3deu h ILE 108 CO -0.13 0.35 -0.24 -0.74 0.00 0.00 0.00 178.15 177.40 3deu h HIS 109 N -0.43 -0.63 -0.40 1.37 2.76 -0.56 0.14 115.15 117.39 3deu h HIS 109 Ca 0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3deu h HIS 109 Cb 0.59 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 3deu h HIS 109 CO 0.11 -0.32 0.12 -0.22 -1.30 0.00 0.00 177.93 176.33 3deu h LYS 110 N -0.27 0.63 -0.45 5.26 1.63 -1.19 -0.70 116.57 121.47 3deu h LYS 110 Ca 0.12 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3deu h LYS 110 Cb 0.45 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 3deu h LYS 110 CO -0.35 0.63 0.23 1.15 -3.45 0.00 0.00 179.45 177.66 3deu h THR 111 N 0.51 0.98 -0.72 1.00 2.02 -0.88 -1.95 112.91 113.86 3deu h THR 111 Ca 0.13 -0.16 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3deu h THR 111 Cb 0.27 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 3deu h THR 111 CO -0.00 0.08 0.38 -0.09 0.37 0.00 0.00 175.52 176.26 3deu h ARG 112 N 0.46 0.64 -0.73 6.66 2.43 -0.15 -1.92 114.38 121.77 3deu h ARG 112 Ca 0.19 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 3deu h ARG 112 Cb 0.09 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 3deu h ARG 112 CO -0.13 0.42 0.38 0.78 -1.51 0.00 0.00 179.97 179.91 3deu h GLY 113 N 0.66 1.10 1.03 2.80 0.00 -0.75 -0.67 103.07 107.24 3deu h GLY 113 Ca 0.35 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 3deu h GLY 113 CO -0.24 0.08 -0.19 0.83 0.00 0.00 0.00 176.54 177.01 3deu h GLU 114 N 0.64 0.85 0.00 4.80 5.08 -0.66 -2.94 114.58 122.35 3deu h GLU 114 Ca 0.36 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3deu h GLU 114 Cb 0.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3deu h GLU 114 CO -0.26 1.01 -0.28 0.82 -1.00 0.00 0.00 179.01 179.30 3deu h ILE 115 N 0.66 0.72 -0.40 3.13 2.04 -0.89 -1.89 117.51 120.88 3deu h ILE 115 Ca 0.09 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3deu h ILE 115 Cb 0.75 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3deu h ILE 115 CO 0.06 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.66 3deu n LEU 116 N -3.52 2.43 -4.68 1.44 4.77 -0.30 -4.94 117.00 112.20 3deu n LEU 116 Ca -0.00 -1.17 -0.50 0.00 -0.03 0.00 0.00 56.01 54.31 3deu n LEU 116 Cb 0.43 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3deu n LEU 116 CO 0.34 0.58 1.36 0.00 -1.33 0.00 0.00 177.39 178.34 3deu n ALA 117 N 0.82 0.56 -2.34 -1.18 0.00 -0.71 -2.16 120.51 115.50 3deu n ALA 117 Ca 0.16 0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 3deu n ALA 117 Cb 0.40 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 3deu n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3deu n GLY 118 N 4.04 -0.36 3.43 0.00 0.00 -1.26 -5.03 105.19 106.01 3deu n GLY 118 Ca 0.22 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3deu n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3deu s ILE 119 N -2.90 2.66 0.19 -0.61 1.09 -0.92 -5.13 121.20 115.60 3deu s ILE 119 Ca 0.00 -1.11 -0.14 0.00 -1.10 0.00 0.00 60.65 58.30 3deu s ILE 119 Cb 0.00 -2.07 -0.07 0.00 -1.06 0.00 0.00 42.46 39.25 3deu s ILE 119 CO 0.00 0.42 0.60 -0.94 -0.10 0.00 0.00 174.94 174.93 3deu s SER 120 N -1.16 6.83 0.39 3.58 1.04 -1.26 -4.90 113.70 118.22 3deu s SER 120 Ca 0.13 1.13 0.21 0.00 0.48 0.00 0.00 55.95 57.90 3deu s SER 120 Cb -0.10 -2.31 1.18 0.00 0.10 0.00 0.00 66.02 64.89 3deu s SER 120 CO 0.03 0.02 1.71 0.77 0.98 0.00 0.00 173.24 176.75 3deu h SER 121 N 3.21 0.41 0.92 7.02 4.64 -1.99 -0.55 113.55 127.22 3deu h SER 121 Ca -0.48 0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 60.74 3deu h SER 121 Cb 1.19 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3deu h SER 121 CO 0.66 -0.03 -1.07 1.05 -0.87 0.00 0.00 176.83 176.57 3deu h GLU 122 N 0.30 0.03 -0.11 4.77 9.09 -1.99 -1.33 114.58 125.35 3deu h GLU 122 Ca 0.69 -0.06 0.03 0.00 0.05 0.00 0.00 59.36 60.07 3deu h GLU 122 Cb 1.83 0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.93 3deu h GLU 122 CO -0.40 1.00 -0.05 1.49 0.05 0.00 0.00 179.01 181.10 3deu h GLU 123 N 0.01 -0.04 -0.95 1.06 4.81 -1.72 -1.93 114.58 115.83 3deu h GLU 123 Ca -0.04 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3deu h GLU 123 Cb 1.81 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 31.14 3deu h GLU 123 CO 0.14 -0.03 0.62 0.82 -0.73 0.00 0.00 179.01 179.83 3deu h ILE 124 N -0.04 1.13 -0.44 2.32 2.04 -0.99 -1.35 117.51 120.17 3deu h ILE 124 Ca 0.06 -0.40 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 3deu h ILE 124 Cb 0.13 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 3deu h ILE 124 CO -0.14 0.21 -0.27 -0.08 0.00 0.00 0.00 178.15 177.88 3deu h GLU 125 N 1.16 0.95 -0.34 2.37 4.81 -1.20 -1.32 114.58 121.01 3deu h GLU 125 Ca 0.39 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3deu h GLU 125 Cb 0.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3deu h GLU 125 CO -0.13 1.10 -0.11 1.25 -0.73 0.00 0.00 179.01 180.39 3deu h LEU 126 N 0.81 0.57 0.32 1.64 6.46 -0.79 -2.26 115.31 122.06 3deu h LEU 126 Ca 0.09 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 3deu h LEU 126 Cb 0.84 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 3deu h LEU 126 CO 0.07 0.72 -0.17 0.25 -0.62 0.00 0.00 178.44 178.69 3deu h LEU 127 N 0.54 -0.42 -0.64 2.25 5.85 -0.47 0.38 115.31 122.81 3deu h LEU 127 Ca 0.10 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.97 3deu h LEU 127 Cb 0.51 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 3deu h LEU 127 CO 0.03 -0.29 -0.15 0.40 -0.34 0.00 0.00 178.44 178.09 3deu h ILE 128 N -0.46 0.36 -0.78 4.05 2.04 -1.27 0.14 117.51 121.60 3deu h ILE 128 Ca -0.04 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3deu h ILE 128 Cb 0.37 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3deu h ILE 128 CO 0.05 0.00 0.37 0.11 0.00 0.00 0.00 178.15 178.68 3deu h LYS 129 N 0.00 1.12 0.01 2.37 1.79 -0.91 -2.33 116.57 118.62 3deu h LYS 129 Ca 0.31 -0.16 -0.20 0.00 -2.18 0.00 0.00 60.65 58.42 3deu h LYS 129 Cb 0.47 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3deu h LYS 129 CO -0.65 0.86 -0.92 1.25 -1.08 0.00 0.00 179.45 178.91 3deu h LEU 130 N 1.11 0.17 0.11 2.94 5.85 0.91 -2.16 115.31 124.24 3deu h LEU 130 Ca 0.27 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3deu h LEU 130 Cb 0.11 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3deu h LEU 130 CO -0.03 1.00 -0.11 0.40 -0.34 0.00 0.00 178.44 179.35 3deu h ILE 131 N 0.06 0.74 -0.66 4.05 2.04 -0.65 -0.40 117.51 122.70 3deu h ILE 131 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 3deu h ILE 131 Cb 1.58 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 38.30 3deu h ILE 131 CO 0.13 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.41 3deu h ALA 132 N 0.63 0.80 -0.37 1.87 0.00 -1.37 0.82 119.26 121.64 3deu h ALA 132 Ca 0.01 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3deu h ALA 132 Cb 0.24 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3deu h ALA 132 CO -0.04 -0.33 -0.07 -0.22 0.00 0.00 0.00 179.25 178.59 3deu h LYS 133 N 0.24 0.70 -0.67 0.00 3.64 -1.23 -0.85 116.57 118.40 3deu h LYS 133 Ca 0.36 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 3deu h LYS 133 Cb 0.58 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3deu h LYS 133 CO -0.47 0.84 0.09 -0.07 -2.27 0.00 0.00 179.45 177.57 3deu h LEU 134 N 0.50 1.08 -0.39 5.20 3.38 -0.48 -1.50 115.31 123.10 3deu h LEU 134 Ca 0.10 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3deu h LEU 134 Cb 0.57 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3deu h LEU 134 CO 0.03 1.07 0.21 -0.33 0.09 0.00 0.00 178.44 179.52 3deu h GLU 135 N 1.04 0.42 -0.16 1.13 5.08 -0.66 -2.08 114.58 119.35 3deu h GLU 135 Ca 0.20 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3deu h GLU 135 Cb 0.46 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3deu h GLU 135 CO 0.02 0.28 -0.09 1.25 -1.00 0.00 0.00 179.01 179.47 3deu h HIS 136 N 0.43 -0.21 -0.02 4.33 2.76 -1.00 0.87 115.15 122.31 3deu h HIS 136 Ca 0.16 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3deu h HIS 136 Cb 0.03 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 3deu h HIS 136 CO -0.08 -0.14 0.01 -0.91 -1.30 0.00 0.00 177.93 175.51 3deu h ASN 137 N -0.08 0.00 0.00 3.26 2.35 -1.11 0.27 115.58 120.27 3deu h ASN 137 Ca 0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3deu h ASN 137 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3deu h ASN 137 CO -0.21 0.00 -0.22 0.40 -1.65 0.00 0.00 177.43 175.75 3deu h ILE 138 N 0.00 1.57 0.13 2.81 2.04 -0.41 -1.99 117.51 121.66 3deu h ILE 138 Ca 0.01 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 3deu h ILE 138 Cb 0.03 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3deu h ILE 138 CO -0.00 0.54 -0.06 0.24 0.00 0.00 0.00 178.15 178.86 3deu h MET 139 N -0.57 -0.17 -0.46 2.37 2.86 -0.72 -0.03 114.93 118.21 3deu h MET 139 Ca -0.03 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3deu h MET 139 Cb 0.99 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3deu h MET 139 CO 0.04 -0.03 0.61 0.93 1.06 0.00 0.00 176.91 179.52 3deu h GLU 140 N -0.27 0.00 -0.01 1.72 4.39 -1.01 -3.51 114.58 115.90 3deu h GLU 140 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3deu h GLU 140 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3deu h GLU 140 CO 0.03 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.16