#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx0 s HIS 2 N 0.00 -1.31 -0.04 2.03 0.09 -1.25 -5.08 115.29 109.73 1yx0 s HIS 2 Ca 0.00 1.28 0.07 0.00 -0.00 0.00 0.00 55.06 56.41 1yx0 s HIS 2 Cb 0.00 0.42 -0.01 0.00 -0.00 0.00 0.00 32.58 32.98 1yx0 s HIS 2 CO 0.00 -0.72 -0.25 0.42 -0.00 0.00 0.00 174.74 174.19 1yx0 s ILE 3 N 2.89 2.10 0.31 0.60 -1.09 -1.26 -1.65 121.20 123.09 1yx0 s ILE 3 Ca 0.14 -1.07 0.05 0.00 -2.23 0.00 0.00 60.65 57.54 1yx0 s ILE 3 Cb -0.13 -1.74 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 1yx0 s ILE 3 CO -0.19 0.57 0.22 -0.54 -1.23 0.00 0.00 174.94 173.77 1yx0 s LYS 4 N -0.36 1.64 -0.12 2.79 1.02 -0.70 -4.99 119.74 119.03 1yx0 s LYS 4 Ca 0.02 -1.94 -0.02 0.00 0.02 0.00 0.00 55.97 54.05 1yx0 s LYS 4 Cb -0.12 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.33 1yx0 s LYS 4 CO 0.02 -0.56 -0.04 0.42 -0.92 0.00 0.00 175.35 174.27 1yx0 s ILE 5 N -3.59 3.93 0.02 2.17 1.01 -1.26 -1.63 121.20 121.85 1yx0 s ILE 5 Ca 0.38 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.74 1yx0 s ILE 5 Cb 0.04 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1yx0 s ILE 5 CO 0.22 0.54 -0.19 -0.62 0.00 0.00 0.00 174.94 174.90 1yx0 s ASP 6 N -0.19 3.72 -0.32 3.58 2.15 -0.32 -4.87 116.67 120.42 1yx0 s ASP 6 Ca 0.04 -0.41 0.02 0.00 0.43 0.00 0.00 52.55 52.62 1yx0 s ASP 6 Cb -0.13 -0.60 0.10 0.00 -0.30 0.00 0.00 42.92 41.99 1yx0 s ASP 6 CO 0.02 0.27 0.06 -1.81 -0.17 0.00 0.00 175.17 173.55 1yx0 s ASP 7 N -1.26 4.42 -1.07 -0.34 1.11 -1.26 -3.67 116.67 114.59 1yx0 s ASP 7 Ca 0.14 -1.89 -0.25 0.00 0.18 0.00 0.00 52.55 50.72 1yx0 s ASP 7 Cb -0.10 -1.29 0.04 0.00 1.07 0.00 0.00 42.92 42.63 1yx0 s ASP 7 CO 0.04 -0.39 0.63 0.18 1.18 0.00 0.00 175.17 176.81 1yx0 n LEU 8 N 4.52 -0.52 -3.47 1.23 4.32 -1.26 -4.93 117.00 116.89 1yx0 n LEU 8 Ca 0.01 -1.18 -0.11 0.00 -0.02 0.00 0.00 56.01 54.70 1yx0 n LEU 8 Cb 0.42 -1.52 -0.02 0.00 -1.62 0.00 0.00 43.42 40.68 1yx0 n LEU 8 CO 0.17 0.70 0.44 -0.89 -1.22 0.00 0.00 177.39 176.60 1yx0 s THR 9 N -3.42 0.00 0.00 -5.08 2.01 -1.26 -5.13 115.64 102.76 1yx0 s THR 9 Ca 0.35 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1yx0 s THR 9 Cb -0.20 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1yx0 s THR 9 CO 0.92 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.46 1yx0 n GLY 10 N -0.37 0.88 0.30 4.40 0.00 -1.26 -4.52 105.19 104.62 1yx0 n GLY 10 Ca -0.15 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 1yx0 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yx0 h ARG 11 N 0.00 -0.68 -0.47 1.61 2.47 -2.00 0.55 114.38 115.86 1yx0 h ARG 11 Ca 0.00 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1yx0 h ARG 11 Cb 0.00 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1yx0 h ARG 11 CO 0.00 -0.39 0.28 1.96 0.56 0.00 0.00 179.97 182.39 1yx0 h GLN 12 N -0.88 0.64 -0.92 0.04 7.50 -1.97 1.52 115.11 121.03 1yx0 h GLN 12 Ca -0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 1yx0 h GLN 12 Cb 0.61 -0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 1yx0 h GLN 12 CO 0.12 0.47 0.53 0.28 -1.50 0.00 0.00 178.83 178.72 1yx0 h VAL 13 N 0.62 1.26 0.03 -0.54 2.07 -1.85 0.14 116.25 117.98 1yx0 h VAL 13 Ca 0.17 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1yx0 h VAL 13 Cb -0.01 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1yx0 h VAL 13 CO -0.03 0.28 -0.01 0.58 0.02 0.00 0.00 177.57 178.40 1yx0 h VAL 14 N 1.27 1.39 -0.93 2.57 2.07 0.78 -2.90 116.25 120.50 1yx0 h VAL 14 Ca 0.33 -1.42 0.18 0.00 0.82 0.00 0.00 66.70 66.61 1yx0 h VAL 14 Cb -0.02 2.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 1yx0 h VAL 14 CO -0.06 0.36 0.51 -1.28 0.02 0.00 0.00 177.57 177.12 1yx0 h SER 15 N -0.67 0.61 -0.60 0.57 0.87 0.24 0.33 113.55 114.89 1yx0 h SER 15 Ca -0.00 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1yx0 h SER 15 Cb 0.61 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1yx0 h SER 15 CO 0.01 0.20 0.36 -0.07 -0.53 0.00 0.00 176.83 176.80 1yx0 h LEU 16 N 0.64 0.59 -0.03 2.23 -0.00 -0.71 0.18 115.31 118.21 1yx0 h LEU 16 Ca 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.42 1yx0 h LEU 16 Cb 0.86 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1yx0 h LEU 16 CO -0.41 0.41 0.01 0.58 -0.00 0.00 0.00 178.44 179.04 1yx0 h VAL 17 N 0.72 1.14 0.00 1.22 2.07 -0.31 -1.08 116.25 120.02 1yx0 h VAL 17 Ca 0.24 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1yx0 h VAL 17 Cb 0.02 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1yx0 h VAL 17 CO -0.10 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.19 1yx0 n ASN 18 N -4.98 0.56 -3.16 0.57 3.02 0.52 -4.88 115.26 106.91 1yx0 n ASN 18 Ca -0.07 0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 55.14 1yx0 n ASN 18 Cb 0.11 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 1yx0 n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1yx0 n GLU 19 N -2.22 -1.60 -0.01 3.52 1.02 0.57 -4.93 120.64 116.99 1yx0 n GLU 19 Ca -0.01 1.50 -0.17 0.00 -0.02 0.00 0.00 57.16 58.47 1yx0 n GLU 19 Cb 0.07 -4.99 -0.11 0.00 -0.02 0.00 0.00 31.44 26.40 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1yx0 h HIS 20 N 0.73 0.56 0.21 -0.32 2.76 -1.75 -3.30 115.15 114.05 1yx0 h HIS 20 Ca -0.13 -0.29 -0.01 0.00 -2.20 0.00 0.00 60.37 57.73 1yx0 h HIS 20 Cb 1.09 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1yx0 h HIS 20 CO 0.17 1.09 -0.10 1.37 -1.30 0.00 0.00 177.93 179.17 1yx0 h LEU 21 N -0.12 -0.24 0.00 0.26 8.10 -1.92 -3.48 115.31 117.91 1yx0 h LEU 21 Ca -0.06 -0.07 0.05 0.00 0.11 0.00 0.00 57.88 57.91 1yx0 h LEU 21 Cb 1.22 0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 41.49 1yx0 h LEU 21 CO 0.10 -0.08 -0.07 1.57 -4.11 0.00 0.00 178.44 175.86 1yx0 n HIS 22 N -5.17 -1.79 -4.45 0.17 -0.00 -1.25 -4.90 115.22 97.84 1yx0 n HIS 22 Ca -0.09 0.22 -0.29 0.00 0.46 0.00 0.00 57.72 58.02 1yx0 n HIS 22 Cb 0.17 -0.34 -0.04 0.00 -0.12 0.00 0.00 29.99 29.66 1yx0 n HIS 22 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1yx0 n SER 23 N -3.87 3.14 -3.02 0.26 7.64 -1.26 -4.91 113.62 111.60 1yx0 n SER 23 Ca 0.00 -3.04 -0.33 0.00 1.01 0.00 0.00 58.87 56.51 1yx0 n SER 23 Cb 0.08 0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 1yx0 n SER 23 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1yx0 n MET 24 N -1.39 3.56 -3.75 1.43 0.00 -1.26 -4.83 117.12 110.88 1yx0 n MET 24 Ca -0.14 -2.58 -0.13 0.00 0.00 0.00 0.00 57.70 54.85 1yx0 n MET 24 Cb 0.61 -2.48 -0.11 0.00 0.00 0.00 0.00 33.22 31.25 1yx0 n MET 24 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1yx0 s THR 25 N -0.28 -0.00 -0.30 3.17 -1.32 -1.26 -5.13 115.64 110.52 1yx0 s THR 25 Ca 0.61 0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 61.03 1yx0 s THR 25 Cb 0.24 -0.49 0.18 0.00 -1.51 0.00 0.00 72.50 70.92 1yx0 s THR 25 CO -0.10 0.01 0.85 -1.48 -2.21 0.00 0.00 174.62 171.69 1yx0 s LEU 26 N 0.36 -0.88 0.02 9.08 0.05 -1.26 -5.03 118.68 121.02 1yx0 s LEU 26 Ca -0.01 0.53 0.00 0.00 0.05 0.00 0.00 54.13 54.69 1yx0 s LEU 26 Cb -0.03 1.73 0.00 0.00 -2.05 0.00 0.00 46.19 45.83 1yx0 s LEU 26 CO -0.01 -0.16 0.00 0.80 -0.55 0.00 0.00 176.35 176.42 1yx0 n MET 27 N 5.44 0.00 -1.46 1.48 1.56 -1.26 -5.09 117.12 117.79 1yx0 n MET 27 Ca -0.04 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.95 1yx0 n MET 27 Cb 0.53 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.77 1yx0 n MET 27 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1yx0 n SER 28 N -2.93 0.71 -4.79 6.12 2.88 -1.26 -4.85 113.62 109.50 1yx0 n SER 28 Ca 0.00 0.19 -0.36 0.00 -1.33 0.00 0.00 58.87 57.37 1yx0 n SER 28 Cb 0.00 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 62.41 1yx0 n SER 28 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1yx0 s PRO 29 N 8.28 4.04 0.92 -1.46 0.04 -1.26 -5.05 135.00 140.50 1yx0 s PRO 29 Ca 1.27 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.64 1yx0 s PRO 29 Cb -1.15 -2.40 0.22 0.00 0.04 0.00 0.00 34.50 31.22 1yx0 s PRO 29 CO 0.49 -0.25 1.01 -0.35 0.04 0.00 0.00 177.00 177.94 1yx0 n PRO 30 N -0.37 -1.92 -0.05 0.56 -0.04 -1.26 -5.03 135.00 126.89 1yx0 n PRO 30 Ca 0.06 -1.58 -0.04 0.00 -0.04 0.00 0.00 63.50 61.90 1yx0 n PRO 30 Cb 0.50 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1yx0 n PRO 30 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1yx0 h GLU 31 N 0.00 -0.01 -6.85 0.54 4.22 -1.86 -3.47 114.58 107.15 1yx0 h GLU 31 Ca -0.35 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 58.71 1yx0 h GLU 31 Cb 1.01 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.48 1yx0 h GLU 31 CO 0.24 0.28 -0.23 0.43 -2.18 0.00 0.00 179.01 177.54 1yx0 n SER 32 N -4.74 -3.13 -4.63 1.04 7.64 -1.26 -4.97 113.62 103.57 1yx0 n SER 32 Ca -0.03 -0.53 -0.36 0.00 1.01 0.00 0.00 58.87 58.97 1yx0 n SER 32 Cb 0.14 -1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 62.19 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1yx0 s ILE 33 N -2.21 5.08 -1.21 0.44 -1.09 -1.26 -4.53 121.20 116.41 1yx0 s ILE 33 Ca 0.63 0.08 -0.32 0.00 -2.23 0.00 0.00 60.65 58.81 1yx0 s ILE 33 Cb -0.16 -3.34 0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1yx0 s ILE 33 CO 0.58 0.39 0.60 1.41 -1.23 0.00 0.00 174.94 176.68 1yx0 n HIS 34 N 4.07 -1.31 -3.40 3.97 8.25 -1.26 -4.91 115.22 120.62 1yx0 n HIS 34 Ca -0.16 0.09 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1yx0 n HIS 34 Cb 0.52 -2.68 -0.05 0.00 1.12 0.00 0.00 29.99 28.91 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yx0 s ALA 35 N -3.65 -2.86 0.19 -1.41 0.00 -1.26 -5.04 121.76 107.73 1yx0 s ALA 35 Ca 0.44 1.96 -0.21 0.00 0.00 0.00 0.00 51.96 54.15 1yx0 s ALA 35 Cb -0.25 -2.08 0.13 0.00 0.00 0.00 0.00 23.12 20.92 1yx0 s ALA 35 CO 0.95 -0.75 1.57 1.25 0.00 0.00 0.00 175.76 178.78 1yx0 h LEU 36 N 6.67 -1.30 0.00 0.00 5.85 -1.93 -3.39 115.31 121.21 1yx0 h LEU 36 Ca -0.19 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1yx0 h LEU 36 Cb 1.14 0.64 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1yx0 h LEU 36 CO 0.12 -0.30 0.00 0.61 -0.34 0.00 0.00 178.44 178.53 1yx0 n GLY 37 N -1.44 0.67 0.00 3.75 0.00 -1.26 -4.66 105.19 102.26 1yx0 n GLY 37 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yx0 n LEU 38 N 0.00 1.51 -4.08 0.99 4.32 -1.26 -4.92 117.00 113.56 1yx0 n LEU 38 Ca 0.00 0.29 -0.40 0.00 -0.02 0.00 0.00 56.01 55.88 1yx0 n LEU 38 Cb 0.00 -0.14 -0.01 0.00 -1.62 0.00 0.00 43.42 41.65 1yx0 n LEU 38 CO 0.00 -0.14 -0.24 1.21 -1.22 0.00 0.00 177.39 177.00 1yx0 n GLU 39 N -0.93 -0.76 0.06 3.23 2.13 -1.26 -4.67 120.64 118.44 1yx0 n GLU 39 Ca 0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1yx0 n GLU 39 Cb 0.00 -3.11 0.00 0.00 0.27 0.00 0.00 31.44 28.60 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yx0 n LYS 40 N -4.80 0.00 -0.35 5.31 4.81 -1.26 -4.93 118.16 116.95 1yx0 n LYS 40 Ca -0.18 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.40 1yx0 n LYS 40 Cb 0.61 0.00 0.34 0.00 0.02 0.00 0.00 35.03 36.00 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yx0 h LEU 41 N 0.00 0.76 -4.61 3.14 4.07 -2.00 -1.99 115.31 114.67 1yx0 h LEU 41 Ca 0.00 0.09 -0.48 0.00 0.08 0.00 0.00 57.88 57.57 1yx0 h LEU 41 Cb 0.00 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1yx0 h LEU 41 CO 0.00 0.27 2.21 0.54 -1.08 0.00 0.00 178.44 180.37 1yx0 n ARG 42 N -4.74 3.04 -4.35 1.13 1.74 -1.26 -4.83 116.66 107.39 1yx0 n ARG 42 Ca 0.23 -1.73 -0.19 0.00 -0.77 0.00 0.00 57.85 55.38 1yx0 n ARG 42 Cb 0.59 -2.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.45 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1yx0 s GLY 43 N 2.10 2.10 0.83 -0.13 0.00 -0.75 -5.00 107.32 106.47 1yx0 s GLY 43 Ca 0.69 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1yx0 s GLY 43 CO -0.04 -1.61 1.11 2.56 0.00 0.00 0.00 173.10 175.12 1yx0 s PRO 44 N -3.81 1.79 -1.34 2.90 0.04 -1.26 -4.04 135.00 129.27 1yx0 s PRO 44 Ca 0.35 0.53 -0.15 0.00 0.04 0.00 0.00 61.00 61.76 1yx0 s PRO 44 Cb 0.05 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1yx0 s PRO 44 CO 0.17 -1.80 0.44 -0.85 0.04 0.00 0.00 177.00 175.00 1yx0 n GLU 45 N -3.54 -1.20 -4.65 4.56 0.28 -1.26 -4.93 120.64 109.90 1yx0 n GLU 45 Ca 0.07 0.20 -0.33 0.00 -0.16 0.00 0.00 57.16 56.94 1yx0 n GLU 45 Cb 0.57 -3.48 -0.13 0.00 1.43 0.00 0.00 31.44 29.84 1yx0 n GLU 45 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1yx0 s ILE 46 N -3.86 3.45 -0.00 3.84 -1.09 -1.26 -4.73 121.20 117.55 1yx0 s ILE 46 Ca 0.25 -0.54 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1yx0 s ILE 46 Cb -0.12 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 1yx0 s ILE 46 CO 0.95 0.54 -0.07 -0.89 -1.23 0.00 0.00 174.94 174.24 1yx0 s THR 47 N -0.08 0.58 -0.16 2.92 2.01 -1.26 -5.09 115.64 114.56 1yx0 s THR 47 Ca -0.00 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1yx0 s THR 47 Cb -0.13 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1yx0 s THR 47 CO 0.03 0.16 -0.20 0.12 -0.69 0.00 0.00 174.62 174.04 1yx0 s PHE 48 N -0.19 2.73 0.05 4.92 2.19 -1.24 -2.22 117.98 124.21 1yx0 s PHE 48 Ca 0.03 -1.38 -0.00 0.00 0.33 0.00 0.00 56.93 55.90 1yx0 s PHE 48 Cb -0.03 -1.86 -0.04 0.00 -1.31 0.00 0.00 43.02 39.78 1yx0 s PHE 48 CO -0.00 -0.65 0.20 -1.58 1.83 0.00 0.00 175.22 175.01 1yx0 s TRP 49 N 0.97 3.51 0.01 10.12 0.51 -0.15 -1.17 118.94 132.74 1yx0 s TRP 49 Ca -0.03 0.26 -0.07 0.00 -2.12 0.00 0.00 56.10 54.14 1yx0 s TRP 49 Cb -0.15 -1.76 -0.00 0.00 -0.81 0.00 0.00 33.47 30.75 1yx0 s TRP 49 CO -0.05 0.60 0.14 -1.54 -0.51 0.00 0.00 176.95 175.59 1yx0 s SER 50 N -2.40 0.05 0.09 2.95 1.04 -0.65 -1.75 113.70 113.04 1yx0 s SER 50 Ca 0.33 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.55 1yx0 s SER 50 Cb -0.13 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1yx0 s SER 50 CO 0.26 -0.42 -0.12 0.00 0.98 0.00 0.00 173.24 173.94 1yx0 s ALA 51 N -1.75 2.89 -0.12 5.32 0.00 0.31 -1.72 121.76 126.70 1yx0 s ALA 51 Ca -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 1yx0 s ALA 51 Cb -0.06 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.26 1yx0 s ALA 51 CO -0.00 0.63 0.16 -1.58 0.00 0.00 0.00 175.76 174.97 1yx0 s TRP 52 N -1.16 -0.14 -0.55 0.00 0.52 -0.66 0.17 118.94 117.12 1yx0 s TRP 52 Ca 0.20 0.40 0.05 0.00 0.02 0.00 0.00 56.10 56.77 1yx0 s TRP 52 Cb -0.11 -0.35 0.20 0.00 -1.15 0.00 0.00 33.47 32.06 1yx0 s TRP 52 CO 0.12 -0.37 0.49 -1.91 0.02 0.00 0.00 176.95 175.31 1yx0 n GLU 53 N 5.32 1.24 0.00 4.98 2.13 -1.19 -3.92 120.64 129.20 1yx0 n GLU 53 Ca -0.05 -3.89 0.00 0.00 0.66 0.00 0.00 57.16 53.88 1yx0 n GLU 53 Cb 0.50 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx0 n GLY 54 N 1.96 0.25 0.37 8.31 0.00 -1.26 -4.65 105.19 110.17 1yx0 n GLY 54 Ca 0.25 -1.35 0.08 0.00 0.00 0.00 0.00 46.02 45.01 1yx0 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yx0 n ASP 55 N 0.00 1.65 -4.27 1.61 9.92 -1.26 -4.96 116.55 119.24 1yx0 n ASP 55 Ca 0.00 -1.33 -0.19 0.00 -0.53 0.00 0.00 54.79 52.74 1yx0 n ASP 55 Cb 0.00 0.50 -0.11 0.00 -0.64 0.00 0.00 41.12 40.87 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1yx0 s GLU 56 N -2.03 1.11 0.74 -1.24 -1.05 -1.26 -5.12 118.70 109.85 1yx0 s GLU 56 Ca 0.14 -1.30 -0.16 0.00 -0.15 0.00 0.00 54.97 53.50 1yx0 s GLU 56 Cb 0.14 -1.06 -0.01 0.00 -0.44 0.00 0.00 34.13 32.76 1yx0 s GLU 56 CO 0.45 0.21 0.68 1.47 0.95 0.00 0.00 175.26 179.01 1yx0 n LEU 57 N 0.45 1.68 -0.27 1.83 -0.00 -1.26 -3.17 117.00 116.26 1yx0 n LEU 57 Ca -0.15 0.59 0.03 0.00 -0.00 0.00 0.00 56.01 56.49 1yx0 n LEU 57 Cb 0.57 -1.28 0.05 0.00 -0.00 0.00 0.00 43.42 42.76 1yx0 n LEU 57 CO 0.28 -2.78 0.44 0.00 -0.00 0.00 0.00 177.39 175.34 1yx0 n ALA 58 N -2.55 2.30 0.00 1.47 0.00 0.45 -4.60 120.51 117.58 1yx0 n ALA 58 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1yx0 n ALA 58 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1yx0 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx0 n GLY 59 N 0.17 4.12 3.16 0.00 0.00 -1.12 -4.06 105.19 107.45 1yx0 n GLY 59 Ca 0.04 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1yx0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 n GLY 61 N 0.56 1.14 3.73 0.00 0.00 -0.72 -4.03 105.19 105.88 1yx0 n GLY 61 Ca -0.18 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 1yx0 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s ALA 62 N -2.00 3.68 -0.30 4.61 0.00 -1.15 -0.98 121.76 125.62 1yx0 s ALA 62 Ca 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 51.96 50.11 1yx0 s ALA 62 Cb 0.00 -0.21 0.15 0.00 0.00 0.00 0.00 23.12 23.06 1yx0 s ALA 62 CO 0.00 -0.16 0.76 -1.17 0.00 0.00 0.00 175.76 175.19 1yx0 s LEU 63 N -3.90 -0.98 -0.06 0.00 0.20 -0.94 -3.05 118.68 109.95 1yx0 s LEU 63 Ca 0.32 1.19 0.03 0.00 0.69 0.00 0.00 54.13 56.37 1yx0 s LEU 63 Cb 0.04 2.05 0.00 0.00 -0.43 0.00 0.00 46.19 47.86 1yx0 s LEU 63 CO 0.18 -0.19 -0.16 -0.75 -0.29 0.00 0.00 176.35 175.14 1yx0 s LYS 64 N 2.76 1.95 0.79 1.98 2.20 -1.22 -3.99 119.74 124.21 1yx0 s LYS 64 Ca -0.01 -0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 54.89 1yx0 s LYS 64 Cb -0.11 -1.60 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 1yx0 s LYS 64 CO -0.18 0.13 0.58 -0.85 -0.36 0.00 0.00 175.35 174.67 1yx0 n GLU 65 N 3.51 0.15 0.07 4.03 0.28 -1.26 -3.82 120.64 123.59 1yx0 n GLU 65 Ca -0.20 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1yx0 n GLU 65 Cb 0.52 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yx0 n LEU 66 N -0.89 0.66 0.00 -1.84 4.32 -0.67 -4.88 117.00 113.69 1yx0 n LEU 66 Ca 0.10 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1yx0 n LEU 66 Cb 0.51 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1yx0 n LEU 66 CO 0.50 -0.68 0.00 0.47 -1.22 0.00 0.00 177.39 176.46 1yx0 n ASP 67 N -3.41 0.48 -0.30 -1.43 10.43 0.36 -4.96 116.55 117.71 1yx0 n ASP 67 Ca 0.00 -0.98 -0.03 0.00 2.57 0.00 0.00 54.79 56.35 1yx0 n ASP 67 Cb 0.05 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.14 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yx0 h THR 68 N 0.98 1.24 -0.64 -3.53 1.03 -2.00 -3.24 112.91 106.75 1yx0 h THR 68 Ca 0.00 -0.57 -0.31 0.00 -0.01 0.00 0.00 66.41 65.52 1yx0 h THR 68 Cb 0.00 0.06 -0.40 0.00 -1.07 0.00 0.00 68.15 66.74 1yx0 h THR 68 CO 0.00 0.26 -1.09 0.54 -0.01 0.00 0.00 175.52 175.22 1yx0 n ARG 69 N -4.35 1.85 -3.75 0.00 1.74 -1.26 -4.83 116.66 106.06 1yx0 n ARG 69 Ca 0.09 -3.56 -0.13 0.00 -0.77 0.00 0.00 57.85 53.49 1yx0 n ARG 69 Cb 0.08 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 1yx0 n ARG 69 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1yx0 s HIS 70 N -3.61 -0.28 0.23 -1.55 2.46 -1.22 -2.71 115.29 108.59 1yx0 s HIS 70 Ca 0.30 0.69 0.01 0.00 0.47 0.00 0.00 55.06 56.53 1yx0 s HIS 70 Cb 0.37 0.04 -0.04 0.00 -0.13 0.00 0.00 32.58 32.82 1yx0 s HIS 70 CO -0.02 -0.19 0.17 0.20 -2.47 0.00 0.00 174.74 172.43 1yx0 s GLY 71 N 0.90 1.61 -0.00 1.59 0.00 -1.25 -0.49 107.32 109.69 1yx0 s GLY 71 Ca -0.06 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 42.74 1yx0 s GLY 71 CO -0.06 -1.40 0.32 -0.54 0.00 0.00 0.00 173.10 171.43 1yx0 s GLU 72 N -4.00 0.71 -0.05 2.90 2.02 -1.25 -1.77 118.70 117.27 1yx0 s GLU 72 Ca 0.39 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.16 1yx0 s GLU 72 Cb 0.06 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.57 1yx0 s GLU 72 CO 0.15 -0.21 -0.05 0.42 0.02 0.00 0.00 175.26 175.60 1yx0 s ILE 73 N -1.56 3.82 0.00 -1.63 1.09 -1.25 -3.44 121.20 118.24 1yx0 s ILE 73 Ca -0.12 -0.53 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1yx0 s ILE 73 Cb -0.04 -2.61 0.00 0.00 -1.06 0.00 0.00 42.46 38.75 1yx0 s ILE 73 CO 0.03 0.53 0.00 0.29 -0.10 0.00 0.00 174.94 175.69 1yx0 n LYS 74 N 1.97 0.00 -1.58 2.79 4.01 -1.17 -4.69 118.16 119.49 1yx0 n LYS 74 Ca -0.17 0.00 -0.51 0.00 -0.51 0.00 0.00 58.31 57.12 1yx0 n LYS 74 Cb 0.53 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.00 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1yx0 n SER 75 N 0.00 1.39 0.00 4.39 7.64 -1.26 -4.75 113.62 121.03 1yx0 n SER 75 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1yx0 n SER 75 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1yx0 n SER 75 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1yx0 n MET 76 N 2.16 0.00 -3.90 1.43 1.56 -1.26 -2.95 117.12 114.16 1yx0 n MET 76 Ca 0.17 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.50 1yx0 n MET 76 Cb 0.20 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.48 1yx0 n MET 76 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1yx0 s ARG 77 N 0.00 0.56 -0.10 2.12 0.52 -1.26 -5.10 118.95 115.69 1yx0 s ARG 77 Ca 0.00 -0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.26 1yx0 s ARG 77 Cb 0.00 0.23 0.10 0.00 0.52 0.00 0.00 34.95 35.79 1yx0 s ARG 77 CO 0.00 -0.14 0.82 0.99 0.02 0.00 0.00 175.30 176.99 1yx0 s THR 78 N -2.24 0.00 -1.97 0.02 2.01 -1.26 -4.80 115.64 107.39 1yx0 s THR 78 Ca -0.08 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1yx0 s THR 78 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1yx0 s THR 78 CO -0.03 0.00 0.00 -0.24 -0.69 0.00 0.00 174.62 173.66 1yx0 n SER 79 N 0.85 0.00 -0.47 3.53 2.88 -1.26 -5.07 113.62 114.08 1yx0 n SER 79 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1yx0 n SER 79 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx0 n ALA 80 N 0.00 0.00 -1.15 -1.46 0.00 -1.26 -3.82 120.51 112.82 1yx0 n ALA 80 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1yx0 n ALA 80 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1yx0 n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yx0 n SER 81 N -1.32 5.20 -3.20 0.00 3.41 -1.26 -4.78 113.62 111.66 1yx0 n SER 81 Ca 0.00 -2.55 -0.19 0.00 -0.26 0.00 0.00 58.87 55.86 1yx0 n SER 81 Cb 0.00 -1.32 -0.07 0.00 -0.26 0.00 0.00 64.21 62.56 1yx0 n SER 81 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1yx0 n HIS 82 N 5.09 -0.47 -1.85 7.33 -0.00 -1.25 -5.13 115.22 118.93 1yx0 n HIS 82 Ca 0.56 -2.49 -0.39 0.00 -0.00 0.00 0.00 57.72 55.39 1yx0 n HIS 82 Cb 0.26 0.18 0.02 0.00 -0.00 0.00 0.00 29.99 30.45 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yx0 s LEU 83 N 0.00 4.07 0.20 2.41 1.43 -1.26 -4.97 118.68 120.56 1yx0 s LEU 83 Ca 0.31 2.82 0.10 0.00 -1.03 0.00 0.00 54.13 56.33 1yx0 s LEU 83 Cb 0.02 -4.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 1yx0 s LEU 83 CO 0.22 -1.21 -0.19 -0.13 0.23 0.00 0.00 176.35 175.28 1yx0 s ARG 84 N -2.53 1.42 -0.10 1.70 0.52 -1.26 -4.71 118.95 113.98 1yx0 s ARG 84 Ca 0.63 -1.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.22 1yx0 s ARG 84 Cb -0.41 -1.46 0.01 0.00 0.52 0.00 0.00 34.95 33.60 1yx0 s ARG 84 CO 0.52 0.29 0.13 1.63 0.02 0.00 0.00 175.30 177.88 1yx0 n LYS 85 N -0.06 -0.72 0.00 3.54 4.01 -1.26 -4.56 118.16 119.11 1yx0 n LYS 85 Ca -0.10 0.98 0.00 0.00 -0.51 0.00 0.00 58.31 58.68 1yx0 n LYS 85 Cb 0.58 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yx0 n GLY 86 N 0.99 2.71 0.45 0.72 0.00 -1.26 -4.96 105.19 103.83 1yx0 n GLY 86 Ca -0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 1yx0 n GLY 86 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yx0 h VAL 87 N 0.00 0.00 -0.44 1.61 2.07 -1.80 1.50 116.25 119.18 1yx0 h VAL 87 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1yx0 h VAL 87 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1yx0 h VAL 87 CO 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.40 1yx0 h ALA 88 N -0.94 0.83 -0.58 1.67 0.00 -1.93 -2.44 119.26 115.86 1yx0 h ALA 88 Ca -0.05 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1yx0 h ALA 88 Cb 0.77 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1yx0 h ALA 88 CO -0.09 0.65 0.38 -0.22 0.00 0.00 0.00 179.25 179.97 1yx0 h LYS 89 N 0.76 0.65 -0.41 0.00 3.64 -1.81 0.29 116.57 119.70 1yx0 h LYS 89 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1yx0 h LYS 89 Cb 0.72 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1yx0 h LYS 89 CO 0.06 0.43 0.16 1.96 -2.27 0.00 0.00 179.45 179.79 1yx0 h GLN 90 N 0.67 0.61 0.17 1.90 1.08 0.26 0.54 115.11 120.35 1yx0 h GLN 90 Ca 0.23 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1yx0 h GLN 90 Cb 0.09 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yx0 h GLN 90 CO -0.06 0.58 -0.08 0.28 -0.95 0.00 0.00 178.83 178.59 1yx0 h VAL 91 N 0.51 0.95 -0.54 -0.54 2.07 -1.07 -2.32 116.25 115.31 1yx0 h VAL 91 Ca 0.14 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 66.97 1yx0 h VAL 91 Cb 0.20 1.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.28 1yx0 h VAL 91 CO -0.01 0.18 -0.19 0.25 0.02 0.00 0.00 177.57 177.81 1yx0 h LEU 92 N -0.64 -0.69 -1.31 2.57 5.85 -0.40 0.65 115.31 121.34 1yx0 h LEU 92 Ca -0.02 0.18 0.13 0.00 0.84 0.00 0.00 57.88 59.01 1yx0 h LEU 92 Cb 0.47 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1yx0 h LEU 92 CO 0.04 -0.23 0.56 -0.61 -0.34 0.00 0.00 178.44 177.86 1yx0 h GLN 93 N -0.06 0.68 0.33 1.25 -0.00 -0.85 0.44 115.11 116.89 1yx0 h GLN 93 Ca 0.25 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 1yx0 h GLN 93 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.79 1yx0 h GLN 93 CO -0.59 0.45 -0.16 1.25 0.00 0.00 0.00 178.83 179.78 1yx0 h HIS 94 N 0.70 -0.41 -0.64 3.99 2.76 0.66 -0.30 115.15 121.91 1yx0 h HIS 94 Ca 0.42 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.69 1yx0 h HIS 94 Cb 0.64 0.13 -0.08 0.00 1.55 0.00 0.00 27.41 29.65 1yx0 h HIS 94 CO -0.00 -0.07 0.24 0.82 -1.30 0.00 0.00 177.93 177.62 1yx0 h ILE 95 N -0.85 0.74 -0.30 6.26 2.04 0.32 0.68 117.51 126.38 1yx0 h ILE 95 Ca -0.04 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1yx0 h ILE 95 Cb 0.52 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1yx0 h ILE 95 CO 0.07 0.08 0.14 0.40 0.00 0.00 0.00 178.15 178.84 1yx0 h ILE 96 N 0.41 0.97 -0.58 -0.67 2.04 -0.12 -0.12 117.51 119.45 1yx0 h ILE 96 Ca 0.33 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1yx0 h ILE 96 Cb 0.43 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1yx0 h ILE 96 CO -0.33 0.05 0.30 -0.08 0.00 0.00 0.00 178.15 178.10 1yx0 h GLU 97 N 0.30 0.82 -0.23 2.37 4.22 0.70 0.25 114.58 123.01 1yx0 h GLU 97 Ca 0.13 -0.10 0.05 0.00 0.08 0.00 0.00 59.36 59.51 1yx0 h GLU 97 Cb 0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1yx0 h GLU 97 CO -0.10 0.64 -0.05 0.93 -2.18 0.00 0.00 179.01 178.25 1yx0 h GLU 98 N 0.79 0.01 -0.28 1.92 3.07 0.90 0.28 114.58 121.26 1yx0 h GLU 98 Ca 0.20 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1yx0 h GLU 98 Cb 0.07 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1yx0 h GLU 98 CO -0.03 0.01 -0.20 0.00 -1.40 0.00 0.00 179.01 177.39 1yx0 h ALA 99 N 1.23 1.13 -0.28 3.43 0.00 -0.76 -0.76 119.26 123.24 1yx0 h ALA 99 Ca 0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yx0 h ALA 99 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yx0 h ALA 99 CO -0.23 0.55 0.17 0.93 0.00 0.00 0.00 179.25 180.67 1yx0 h GLU 100 N 0.47 0.38 0.04 0.00 4.39 0.79 0.26 114.58 120.91 1yx0 h GLU 100 Ca 0.08 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1yx0 h GLU 100 Cb 0.61 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1yx0 h GLU 100 CO 0.04 0.30 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.95 1yx0 h LYS 101 N 0.36 -0.05 -0.89 2.33 3.64 -0.27 -2.88 116.57 118.81 1yx0 h LYS 101 Ca 0.10 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.68 1yx0 h LYS 101 Cb 0.01 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.73 1yx0 h LYS 101 CO -0.02 0.21 0.42 0.00 -2.27 0.00 0.00 179.45 177.80 1yx0 h ARG 102 N -0.31 0.47 0.00 1.90 2.47 -0.96 -3.46 114.38 114.48 1yx0 h ARG 102 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1yx0 h ARG 102 Cb 0.29 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1yx0 h ARG 102 CO 0.01 0.31 0.00 0.41 0.56 0.00 0.00 179.97 181.26 1yx0 n GLY 103 N -1.33 0.71 3.96 0.04 0.00 -0.10 -5.09 105.19 103.38 1yx0 n GLY 103 Ca 0.21 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1yx0 n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yx0 s TYR 104 N -0.65 3.26 -0.00 1.61 4.12 -0.19 -4.80 117.35 120.71 1yx0 s TYR 104 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.07 57.28 1yx0 s TYR 104 Cb 0.00 -2.18 0.00 0.00 -1.52 0.00 0.00 41.96 38.27 1yx0 s TYR 104 CO 0.00 -0.21 0.68 0.39 0.02 0.00 0.00 175.55 176.43 1yx0 n GLU 105 N -1.95 0.10 -3.50 -0.62 -0.58 -1.22 -4.82 120.64 108.05 1yx0 n GLU 105 Ca -0.00 -0.71 -0.13 0.00 -0.42 0.00 0.00 57.16 55.90 1yx0 n GLU 105 Cb 0.57 -0.53 -0.04 0.00 -0.57 0.00 0.00 31.44 30.88 1yx0 n GLU 105 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1yx0 s ARG 106 N -0.07 1.00 -0.21 3.49 3.52 -1.10 -4.38 118.95 121.20 1yx0 s ARG 106 Ca 0.00 -0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 55.45 1yx0 s ARG 106 Cb 0.00 0.47 0.09 0.00 -1.56 0.00 0.00 34.95 33.95 1yx0 s ARG 106 CO 0.00 -0.38 0.46 -0.51 -0.81 0.00 0.00 175.30 174.06 1yx0 s LEU 107 N -1.86 -0.63 0.33 -0.88 1.43 -1.04 -3.77 118.68 112.26 1yx0 s LEU 107 Ca -0.03 1.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.24 1yx0 s LEU 107 Cb -0.01 1.51 -0.06 0.00 0.03 0.00 0.00 46.19 47.66 1yx0 s LEU 107 CO -0.01 -0.22 -0.10 -0.94 0.23 0.00 0.00 176.35 175.30 1yx0 s SER 108 N 2.41 3.76 -0.17 2.29 1.04 -0.73 -1.88 113.70 120.42 1yx0 s SER 108 Ca -0.04 -1.15 -0.34 0.00 0.48 0.00 0.00 55.95 54.90 1yx0 s SER 108 Cb -0.11 -0.36 0.13 0.00 0.10 0.00 0.00 66.02 65.78 1yx0 s SER 108 CO -0.14 -0.17 1.18 -1.48 0.98 0.00 0.00 173.24 173.61 1yx0 s LEU 109 N -3.60 -0.15 -0.21 2.42 0.05 -1.26 -3.80 118.68 112.11 1yx0 s LEU 109 Ca 0.32 -0.01 -0.16 0.00 0.05 0.00 0.00 54.13 54.33 1yx0 s LEU 109 Cb 0.01 1.44 -0.04 0.00 -2.05 0.00 0.00 46.19 45.56 1yx0 s LEU 109 CO 0.17 -0.27 0.43 -1.83 -0.55 0.00 0.00 176.35 174.29 1yx0 s GLU 110 N -2.49 4.15 -0.30 1.48 -1.05 -1.26 -4.47 118.70 114.77 1yx0 s GLU 110 Ca 0.09 0.23 -0.08 0.00 -0.15 0.00 0.00 54.97 55.06 1yx0 s GLU 110 Cb -0.01 -3.56 0.19 0.00 -0.44 0.00 0.00 34.13 30.31 1yx0 s GLU 110 CO -0.05 -0.11 0.96 -0.08 0.95 0.00 0.00 175.26 176.93 1yx0 s THR 111 N 1.54 -0.39 0.00 1.83 -1.32 -1.26 -5.05 115.64 110.99 1yx0 s THR 111 Ca 0.20 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1yx0 s THR 111 Cb -0.15 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1yx0 s THR 111 CO 0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1yx0 n GLY 112 N 5.14 1.33 2.72 6.08 0.00 -1.24 -3.55 105.19 115.66 1yx0 n GLY 112 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yx0 n SER 113 N 0.00 -0.57 -4.79 1.61 3.41 -1.26 -4.40 113.62 107.61 1yx0 n SER 113 Ca 0.00 -2.19 -0.36 0.00 -0.26 0.00 0.00 58.87 56.06 1yx0 n SER 113 Cb 0.00 0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yx0 s MET 114 N -1.05 4.50 0.57 4.33 1.00 -1.26 -4.80 119.30 122.59 1yx0 s MET 114 Ca 0.15 1.26 0.29 0.00 0.00 0.00 0.00 55.69 57.39 1yx0 s MET 114 Cb 0.41 -2.69 1.48 0.00 0.00 0.00 0.00 34.83 34.02 1yx0 s MET 114 CO -0.10 0.23 1.92 0.00 0.00 0.00 0.00 175.02 177.08 1yx0 h ALA 115 N 2.96 2.33 -0.29 3.03 0.00 -2.00 1.07 119.26 126.36 1yx0 h ALA 115 Ca -0.47 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1yx0 h ALA 115 Cb 1.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1yx0 h ALA 115 CO 0.64 -0.75 -0.48 1.03 0.00 0.00 0.00 179.25 179.69 1yx0 h SER 116 N 0.00 0.85 -0.77 0.00 0.87 -2.01 -3.26 113.55 109.24 1yx0 h SER 116 Ca 0.25 -0.43 -0.54 0.00 -1.23 0.00 0.00 61.79 59.85 1yx0 h SER 116 Cb 1.21 -0.24 -0.43 0.00 -0.44 0.00 0.00 62.40 62.50 1yx0 h SER 116 CO -0.00 1.19 -0.83 0.49 -0.53 0.00 0.00 176.83 177.15 1yx0 n PHE 117 N -4.01 2.71 -0.02 2.24 3.72 0.20 -4.78 117.46 117.52 1yx0 n PHE 117 Ca -0.03 -2.25 -0.13 0.00 -0.05 0.00 0.00 57.45 54.99 1yx0 n PHE 117 Cb 0.58 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yx0 h GLU 118 N 2.22 -0.03 0.00 -1.08 5.08 0.79 -3.08 114.58 118.48 1yx0 h GLU 118 Ca 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1yx0 h GLU 118 Cb 1.50 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1yx0 h GLU 118 CO 0.74 0.59 -0.09 -1.00 -1.00 0.00 0.00 179.01 178.25 1yx0 h PRO 119 N -0.67 0.00 0.02 2.33 0.13 -1.85 -2.84 132.00 129.12 1yx0 h PRO 119 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yx0 h PRO 119 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1yx0 h PRO 119 CO 0.00 0.09 -0.01 0.00 -0.23 0.00 0.00 178.00 177.86 1yx0 h ALA 120 N 1.91 -0.02 -0.14 -0.56 0.00 -1.87 0.37 119.26 118.94 1yx0 h ALA 120 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1yx0 h ALA 120 Cb 0.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1yx0 h ALA 120 CO 0.01 -0.47 -0.43 0.07 0.00 0.00 0.00 179.25 178.43 1yx0 h ARG 121 N -0.11 0.32 0.00 0.00 0.11 -1.52 -2.26 114.38 110.92 1yx0 h ARG 121 Ca -0.00 -0.16 -0.05 0.00 0.10 0.00 0.00 59.98 59.86 1yx0 h ARG 121 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1yx0 h ARG 121 CO 0.00 0.70 -0.25 0.87 0.10 0.00 0.00 179.97 181.39 1yx0 h LYS 122 N 0.26 0.00 0.00 0.08 1.57 -1.22 -2.08 116.57 115.19 1yx0 h LYS 122 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1yx0 h LYS 122 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1yx0 h LYS 122 CO 0.07 0.25 -0.76 1.25 -0.57 0.00 0.00 179.45 179.69 1yx0 h LEU 123 N 0.00 0.00 0.08 2.94 5.85 0.31 -2.78 115.31 121.71 1yx0 h LEU 123 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1yx0 h LEU 123 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1yx0 h LEU 123 CO 0.03 0.76 -0.04 1.88 -0.34 0.00 0.00 178.44 180.73 1yx0 h TYR 124 N 0.00 -0.10 -0.10 1.25 0.05 -1.02 -3.07 116.97 113.98 1yx0 h TYR 124 Ca -0.01 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1yx0 h TYR 124 Cb 1.41 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 39.18 1yx0 h TYR 124 CO 0.00 0.43 0.09 1.05 -1.05 0.00 0.00 178.16 178.68 1yx0 h GLU 125 N -0.76 0.00 0.00 4.88 -0.00 -1.48 0.56 114.58 117.79 1yx0 h GLU 125 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1yx0 h GLU 125 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.33 1yx0 h GLU 125 CO 0.02 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.46 1yx0 n SER 126 N -4.04 0.22 -0.00 3.06 7.64 -1.05 -2.59 113.62 116.86 1yx0 n SER 126 Ca -0.01 0.53 0.11 0.00 1.01 0.00 0.00 58.87 60.51 1yx0 n SER 126 Cb 0.20 -0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.67 1yx0 n SER 126 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1yx0 n PHE 127 N -1.71 0.04 0.00 1.43 7.35 0.19 -4.97 117.46 119.78 1yx0 n PHE 127 Ca 0.05 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1yx0 n PHE 127 Cb 0.30 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.73 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yx0 n GLY 128 N 1.32 2.47 2.36 7.13 0.00 -0.86 -5.11 105.19 112.50 1yx0 n GLY 128 Ca -0.02 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1yx0 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yx0 n PHE 129 N 0.00 -2.44 -4.24 1.61 3.72 -1.02 -4.88 117.46 110.21 1yx0 n PHE 129 Ca 0.00 0.27 -0.21 0.00 -0.05 0.00 0.00 57.45 57.46 1yx0 n PHE 129 Cb 0.00 -1.21 -0.12 0.00 -0.94 0.00 0.00 39.48 37.21 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1yx0 s GLN 130 N -0.87 0.99 -0.72 -1.08 -1.52 -1.06 -4.33 119.66 111.08 1yx0 s GLN 130 Ca 0.40 -1.10 -0.19 0.00 -1.95 0.00 0.00 55.36 52.52 1yx0 s GLN 130 Cb -0.33 -1.09 0.11 0.00 -0.22 0.00 0.00 33.01 31.48 1yx0 s GLN 130 CO 0.51 0.24 0.88 0.71 -0.25 0.00 0.00 175.29 177.38 1yx0 s TYR 131 N -1.37 3.02 -0.07 0.91 1.51 -1.26 -2.56 117.35 117.54 1yx0 s TYR 131 Ca 0.04 -1.07 -0.07 0.00 -1.01 0.00 0.00 57.07 54.95 1yx0 s TYR 131 Cb -0.09 -4.13 0.02 0.00 -0.11 0.00 0.00 41.96 37.65 1yx0 s TYR 131 CO 0.03 -1.40 0.20 0.00 -1.11 0.00 0.00 175.55 173.27 1yx0 n GLU 133 N 2.77 -4.79 -1.51 0.00 2.13 -1.26 -4.62 120.64 113.35 1yx0 n GLU 133 Ca -0.14 3.42 -0.30 0.00 0.66 0.00 0.00 57.16 60.80 1yx0 n GLU 133 Cb 0.58 -4.04 0.22 0.00 0.27 0.00 0.00 31.44 28.47 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1yx0 s PRO 134 N -0.49 -0.43 0.00 5.31 0.04 -1.26 -4.49 135.00 133.68 1yx0 s PRO 134 Ca 0.00 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1yx0 s PRO 134 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1yx0 s PRO 134 CO 0.00 -3.14 0.00 0.34 0.04 0.00 0.00 177.00 174.24 1yx0 n PHE 135 N -4.31 0.00 0.00 0.56 -0.00 -1.26 -4.88 117.46 107.57 1yx0 n PHE 135 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1yx0 n PHE 135 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.07 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yx0 n ALA 136 N 0.00 0.00 0.78 3.13 0.00 -1.26 -3.39 120.51 119.77 1yx0 n ALA 136 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1yx0 n ALA 136 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 1yx0 n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx0 n ASP 137 N 2.06 2.45 -1.50 0.00 2.03 -1.26 -5.05 116.55 115.29 1yx0 n ASP 137 Ca 0.00 -1.86 0.04 0.00 0.52 0.00 0.00 54.79 53.49 1yx0 n ASP 137 Cb 0.00 -0.19 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1yx0 n TYR 138 N 0.83 -3.78 -0.72 -0.67 4.02 -1.22 -4.93 117.16 110.70 1yx0 n TYR 138 Ca 0.17 2.06 0.10 0.00 -0.01 0.00 0.00 57.90 60.22 1yx0 n TYR 138 Cb 0.44 -3.23 -0.02 0.00 -0.02 0.00 0.00 39.34 36.50 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yx0 n GLY 139 N -3.02 -0.93 3.90 2.72 0.00 -1.26 -4.83 105.19 101.78 1yx0 n GLY 139 Ca -0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1yx0 n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yx0 s GLU 140 N -1.65 0.47 0.00 1.61 0.41 -1.26 -4.53 118.70 113.75 1yx0 s GLU 140 Ca 0.00 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 1yx0 s GLU 140 Cb 0.00 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1yx0 s GLU 140 CO 0.00 -2.53 0.00 -0.25 -0.49 0.00 0.00 175.26 171.99 1yx0 n ASP 141 N -3.86 0.00 0.05 -0.19 10.43 -1.26 -5.00 116.55 116.72 1yx0 n ASP 141 Ca 0.15 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.37 1yx0 n ASP 141 Cb 0.59 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.52 1yx0 n ASP 141 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1yx0 h PRO 142 N 0.00 0.49 -2.01 -0.24 0.13 -2.02 -3.31 132.00 125.04 1yx0 h PRO 142 Ca 0.00 -0.48 -0.64 0.00 -0.87 0.00 0.00 66.00 64.01 1yx0 h PRO 142 Cb 0.00 0.12 -0.38 0.00 0.13 0.00 0.00 31.00 30.87 1yx0 h PRO 142 CO 0.00 1.12 -0.24 0.09 -0.23 0.00 0.00 178.00 178.74 1yx0 n ASN 143 N -3.80 5.32 -3.64 1.44 3.02 -1.26 -4.97 115.26 111.37 1yx0 n ASN 143 Ca -0.07 -3.72 -0.08 0.00 -0.03 0.00 0.00 54.58 50.69 1yx0 n ASN 143 Cb 0.80 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1yx0 s SER 144 N -2.92 -0.73 0.13 6.41 0.15 -1.25 -4.73 113.70 110.76 1yx0 s SER 144 Ca 0.48 1.24 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1yx0 s SER 144 Cb 0.32 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 1yx0 s SER 144 CO -0.18 -0.20 0.17 1.33 1.20 0.00 0.00 173.24 175.55 1yx0 n VAL 145 N 3.55 0.00 -3.89 4.45 0.24 -1.26 -4.44 118.33 116.97 1yx0 n VAL 145 Ca -0.17 -0.72 -0.09 0.00 -2.04 0.00 0.00 64.34 61.32 1yx0 n VAL 145 Cb 0.57 0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 33.32 1yx0 n VAL 145 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1yx0 s PHE 146 N -3.85 0.15 0.02 6.34 2.19 -1.23 -3.60 117.98 118.00 1yx0 s PHE 146 Ca 0.12 -0.52 0.01 0.00 0.33 0.00 0.00 56.93 56.87 1yx0 s PHE 146 Cb -0.00 0.28 -0.01 0.00 -1.31 0.00 0.00 43.02 41.97 1yx0 s PHE 146 CO 0.08 -0.95 -0.04 1.41 1.83 0.00 0.00 175.22 177.55 1yx0 s MET 147 N -3.95 0.34 0.03 10.12 1.75 -1.26 -4.21 119.30 122.11 1yx0 s MET 147 Ca 0.16 -0.47 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1yx0 s MET 147 Cb -0.01 -0.12 -0.02 0.00 2.84 0.00 0.00 34.83 37.52 1yx0 s MET 147 CO 0.04 0.02 -0.04 -0.08 -0.65 0.00 0.00 175.02 174.30 1yx0 s THR 148 N -0.93 0.19 -0.03 10.11 -1.32 -1.06 -4.16 115.64 118.44 1yx0 s THR 148 Ca -0.08 -0.98 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 1yx0 s THR 148 Cb -0.07 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.53 1yx0 s THR 148 CO -0.00 -0.50 -0.24 -0.75 -2.21 0.00 0.00 174.62 170.92 1yx0 s LYS 149 N -1.59 2.11 -0.36 7.08 2.36 -0.79 -2.55 119.74 126.00 1yx0 s LYS 149 Ca -0.14 -0.85 -0.02 0.00 -2.55 0.00 0.00 55.97 52.41 1yx0 s LYS 149 Cb -0.09 -1.94 0.09 0.00 -1.05 0.00 0.00 37.83 34.84 1yx0 s LYS 149 CO -0.01 0.46 0.11 0.21 1.55 0.00 0.00 175.35 177.67 1yx0 s LYS 150 N -0.40 2.08 0.00 4.03 2.20 -1.26 -2.50 119.74 123.89 1yx0 s LYS 150 Ca 0.05 -1.63 0.14 0.00 -0.36 0.00 0.00 55.97 54.16 1yx0 s LYS 150 Cb -0.11 -3.39 0.84 0.00 -1.51 0.00 0.00 37.83 33.65 1yx0 s LYS 150 CO 0.01 -0.90 1.26 1.28 -0.36 0.00 0.00 175.35 176.64