#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 -1.24 -0.04 2.03 5.65 -1.25 -5.08 115.29 115.36 1yx0 s HIS 2 Ca 0.00 1.17 0.07 0.00 0.25 0.00 0.00 55.06 56.55 1yx0 s HIS 2 Cb 0.00 0.38 -0.01 0.00 -1.18 0.00 0.00 32.58 31.77 1yx0 s HIS 2 CO 0.00 -0.69 -0.25 0.42 -0.65 0.00 0.00 174.74 173.57 1yx0 s ILE 3 N 2.89 2.03 0.31 0.89 -1.09 -1.26 -1.55 121.20 123.42 1yx0 s ILE 3 Ca 0.13 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 1yx0 s ILE 3 Cb -0.12 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1yx0 s ILE 3 CO -0.19 0.57 0.34 -0.54 -1.23 0.00 0.00 174.94 173.89 1yx0 s LYS 4 N -0.36 1.72 -0.13 2.79 1.02 -0.88 -4.99 119.74 118.91 1yx0 s LYS 4 Ca 0.02 -1.83 -0.02 0.00 0.02 0.00 0.00 55.97 54.17 1yx0 s LYS 4 Cb -0.12 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.53 1yx0 s LYS 4 CO 0.02 -0.66 -0.08 0.42 -0.92 0.00 0.00 175.35 174.12 1yx0 s ILE 5 N -3.44 3.52 -0.29 2.17 1.01 -1.26 -1.87 121.20 121.04 1yx0 s ILE 5 Ca 0.36 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 1yx0 s ILE 5 Cb 0.02 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1yx0 s ILE 5 CO 0.22 0.52 0.37 -0.62 0.00 0.00 0.00 174.94 175.43 1yx0 s ASP 6 N 0.17 6.22 -0.32 3.58 3.68 0.20 -4.86 116.67 125.34 1yx0 s ASP 6 Ca -0.04 0.14 0.02 0.00 2.13 0.00 0.00 52.55 54.80 1yx0 s ASP 6 Cb -0.14 -2.20 0.10 0.00 -1.45 0.00 0.00 42.92 39.22 1yx0 s ASP 6 CO 0.04 -0.22 0.06 -1.81 0.13 0.00 0.00 175.17 173.37 1yx0 s ASP 7 N 1.68 4.41 -1.23 -0.34 -0.00 -1.26 -3.68 116.67 116.24 1yx0 s ASP 7 Ca 0.14 -1.88 -0.32 0.00 -0.00 0.00 0.00 52.55 50.49 1yx0 s ASP 7 Cb -0.16 -1.29 0.04 0.00 -0.00 0.00 0.00 42.92 41.52 1yx0 s ASP 7 CO 0.11 -0.38 0.60 0.18 -0.00 0.00 0.00 175.17 175.68 1yx0 n LEU 8 N 4.52 -0.17 -3.62 1.23 4.32 -1.26 -4.89 117.00 117.13 1yx0 n LEU 8 Ca 0.00 -1.29 -0.03 0.00 -0.02 0.00 0.00 56.01 54.67 1yx0 n LEU 8 Cb 0.42 -1.55 -0.02 0.00 -1.62 0.00 0.00 43.42 40.65 1yx0 n LEU 8 CO 0.17 0.79 1.11 -0.89 -1.22 0.00 0.00 177.39 177.35 1yx0 s THR 9 N -3.63 0.00 0.00 -5.08 2.01 -1.26 -5.15 115.64 102.53 1yx0 s THR 9 Ca 0.44 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1yx0 s THR 9 Cb -0.25 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1yx0 s THR 9 CO 0.97 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.51 1yx0 n GLY 10 N -0.08 2.08 0.24 4.40 0.00 -1.26 -4.76 105.19 105.81 1yx0 n GLY 10 Ca 0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.50 -0.07 1.61 2.47 -2.01 0.52 114.38 116.40 1yx0 h ARG 11 Ca 0.00 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1yx0 h ARG 11 Cb 0.00 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1yx0 h ARG 11 CO 0.00 -0.19 0.03 1.96 0.56 0.00 0.00 179.97 182.33 1yx0 h GLN 12 N -0.96 0.09 0.10 0.04 1.08 -1.97 0.75 115.11 114.23 1yx0 h GLN 12 Ca -0.05 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1yx0 h GLN 12 Cb 0.54 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1yx0 h GLN 12 CO 0.09 0.07 -0.05 0.28 -0.95 0.00 0.00 178.83 178.27 1yx0 h VAL 13 N 0.09 1.02 -0.47 -0.54 2.07 -1.89 -2.67 116.25 113.86 1yx0 h VAL 13 Ca 0.02 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1yx0 h VAL 13 Cb 0.01 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1yx0 h VAL 13 CO -0.00 0.29 0.28 0.58 0.02 0.00 0.00 177.57 178.73 1yx0 h VAL 14 N -0.87 1.05 -0.68 2.57 2.07 0.46 -0.22 116.25 120.63 1yx0 h VAL 14 Ca -0.01 -0.19 0.15 0.00 0.82 0.00 0.00 66.70 67.46 1yx0 h VAL 14 Cb 0.57 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1yx0 h VAL 14 CO 0.02 0.10 0.47 0.28 0.02 0.00 0.00 177.57 178.46 1yx0 h SER 15 N 0.56 0.29 -0.09 0.57 0.02 0.43 0.65 113.55 115.97 1yx0 h SER 15 Ca 0.19 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1yx0 h SER 15 Cb 0.01 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1yx0 h SER 15 CO -0.09 0.15 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.28 1yx0 h LEU 16 N 0.31 0.52 -1.74 5.07 -0.00 -0.74 0.46 115.31 119.20 1yx0 h LEU 16 Ca 0.33 -0.64 -0.02 0.00 -0.00 0.00 0.00 57.88 57.55 1yx0 h LEU 16 Cb 0.87 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1yx0 h LEU 16 CO -0.08 1.07 -0.11 0.58 -0.00 0.00 0.00 178.44 179.90 1yx0 h VAL 17 N 0.00 0.38 0.00 1.22 2.07 0.60 -1.41 116.25 119.12 1yx0 h VAL 17 Ca -0.03 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1yx0 h VAL 17 Cb 1.06 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1yx0 h VAL 17 CO 0.09 0.11 -1.27 0.59 0.02 0.00 0.00 177.57 177.11 1yx0 n ASN 18 N -3.40 0.62 -4.51 0.57 3.02 0.21 -4.24 115.26 107.54 1yx0 n ASN 18 Ca -0.01 0.24 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 1yx0 n ASN 18 Cb 0.28 0.86 0.23 0.00 -0.61 0.00 0.00 39.78 40.54 1yx0 n ASN 18 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1yx0 n GLU 19 N -2.56 -1.85 -0.11 3.52 4.07 0.16 -4.79 120.64 119.08 1yx0 n GLU 19 Ca -0.01 -0.50 0.22 0.00 -0.06 0.00 0.00 57.16 56.81 1yx0 n GLU 19 Cb 0.55 -2.19 0.65 0.00 -0.06 0.00 0.00 31.44 30.40 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1yx0 h HIS 20 N -2.43 0.14 -0.27 4.31 2.76 -1.88 -0.32 115.15 117.46 1yx0 h HIS 20 Ca -0.56 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 57.68 1yx0 h HIS 20 Cb 1.32 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 30.16 1yx0 h HIS 20 CO 0.32 0.05 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.69 1yx0 h LEU 21 N 0.11 -0.76 -0.61 0.26 4.07 -1.88 -3.48 115.31 113.03 1yx0 h LEU 21 Ca 0.35 0.14 0.34 0.00 0.08 0.00 0.00 57.88 58.79 1yx0 h LEU 21 Cb 1.23 0.37 -0.19 0.00 1.08 0.00 0.00 40.66 43.15 1yx0 h LEU 21 CO -0.04 -0.27 -1.27 1.41 -1.08 0.00 0.00 178.44 177.19 1yx0 n HIS 22 N -5.38 -3.84 -4.87 1.13 8.25 -0.13 -4.90 115.22 105.48 1yx0 n HIS 22 Ca -0.00 2.12 -0.33 0.00 -0.26 0.00 0.00 57.72 59.25 1yx0 n HIS 22 Cb 0.29 -3.49 -0.14 0.00 1.12 0.00 0.00 29.99 27.77 1yx0 n HIS 22 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1yx0 s SER 23 N -7.23 3.95 -0.06 0.41 1.04 -1.26 -4.99 113.70 105.56 1yx0 s SER 23 Ca 0.00 -0.28 -0.39 0.00 0.48 0.00 0.00 55.95 55.76 1yx0 s SER 23 Cb 0.00 -1.18 -0.18 0.00 0.10 0.00 0.00 66.02 64.76 1yx0 s SER 23 CO 0.00 0.26 1.35 1.15 0.98 0.00 0.00 173.24 176.98 1yx0 n MET 24 N 2.88 0.67 0.13 4.02 0.00 -1.26 -4.84 117.12 118.72 1yx0 n MET 24 Ca -0.18 0.24 0.10 0.00 0.00 0.00 0.00 57.70 57.87 1yx0 n MET 24 Cb 0.52 -1.83 0.03 0.00 0.00 0.00 0.00 33.22 31.95 1yx0 n MET 24 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1yx0 h THR 25 N 3.70 0.09 -5.85 3.17 1.35 -1.97 -3.48 112.91 109.92 1yx0 h THR 25 Ca -0.48 -1.16 -0.09 0.00 -0.55 0.00 0.00 66.41 64.13 1yx0 h THR 25 Cb 1.37 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1yx0 h THR 25 CO 0.79 0.05 -0.94 -0.11 -0.25 0.00 0.00 175.52 175.06 1yx0 n LEU 26 N -2.83 -5.49 -4.11 3.87 0.00 -1.26 -4.77 117.00 102.41 1yx0 n LEU 26 Ca 0.00 0.58 -0.41 0.00 0.00 0.00 0.00 56.01 56.19 1yx0 n LEU 26 Cb 0.58 -2.46 -0.01 0.00 0.00 0.00 0.00 43.42 41.53 1yx0 n LEU 26 CO 0.39 -1.79 -0.34 0.80 0.00 0.00 0.00 177.39 176.45 1yx0 n MET 27 N 0.45 0.00 -2.21 1.96 1.56 -1.26 -4.93 117.12 112.69 1yx0 n MET 27 Ca 0.01 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.15 1yx0 n MET 27 Cb 0.40 -0.95 0.02 0.00 2.15 0.00 0.00 33.22 34.84 1yx0 n MET 27 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1yx0 s SER 28 N -0.95 5.84 0.96 6.12 1.04 -1.26 -5.08 113.70 120.38 1yx0 s SER 28 Ca 0.57 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.88 1yx0 s SER 28 Cb -0.66 -2.04 0.17 0.00 0.10 0.00 0.00 66.02 63.58 1yx0 s SER 28 CO 0.58 -0.98 1.16 -2.16 0.98 0.00 0.00 173.24 172.83 1yx0 s PRO 29 N -5.07 0.70 0.31 4.02 0.04 -1.26 -5.07 135.00 128.67 1yx0 s PRO 29 Ca 0.54 0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.64 1yx0 s PRO 29 Cb -0.11 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.71 1yx0 s PRO 29 CO 0.49 -2.46 0.35 -0.35 0.04 0.00 0.00 177.00 175.06 1yx0 n PRO 30 N -3.92 -0.99 -2.95 0.56 -0.04 -1.26 -4.66 135.00 121.75 1yx0 n PRO 30 Ca 0.09 -0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 62.92 1yx0 n PRO 30 Cb 0.59 -0.43 0.04 0.00 -0.04 0.00 0.00 33.50 33.67 1yx0 n PRO 30 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yx0 n GLU 31 N -2.12 -1.68 -2.66 0.54 4.71 -1.26 -4.99 120.64 113.19 1yx0 n GLU 31 Ca 0.05 0.93 -0.03 0.00 -0.01 0.00 0.00 57.16 58.10 1yx0 n GLU 31 Cb 0.17 -5.19 0.10 0.00 -1.01 0.00 0.00 31.44 25.50 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1yx0 n SER 32 N -2.57 -1.09 -4.57 1.62 3.41 -1.26 -5.11 113.62 104.04 1yx0 n SER 32 Ca -0.04 -1.62 -0.63 0.00 -0.26 0.00 0.00 58.87 56.32 1yx0 n SER 32 Cb 0.57 0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 65.27 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1yx0 n ILE 33 N 0.93 0.06 -1.50 -1.33 -0.00 -1.26 -4.42 119.36 111.85 1yx0 n ILE 33 Ca -0.04 -0.03 0.19 0.00 -0.00 0.00 0.00 62.75 62.88 1yx0 n ILE 33 Cb 0.74 -0.69 -0.05 0.00 -0.00 0.00 0.00 39.64 39.65 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1yx0 n HIS 34 N 5.65 -3.61 -0.55 1.39 8.25 -1.26 -5.03 115.22 120.05 1yx0 n HIS 34 Ca 0.38 1.75 0.00 0.00 -0.26 0.00 0.00 57.72 59.59 1yx0 n HIS 34 Cb -0.01 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 27.86 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yx0 n ALA 35 N -2.21 -2.19 -3.00 -1.41 0.00 -1.26 -5.10 120.51 105.33 1yx0 n ALA 35 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1yx0 n ALA 35 Cb 0.64 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1yx0 n ALA 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1yx0 n LEU 36 N -0.56 0.00 -2.72 0.00 7.94 -1.26 -5.04 117.00 115.36 1yx0 n LEU 36 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1yx0 n LEU 36 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1yx0 n LEU 36 CO 0.00 0.00 0.16 0.61 -1.11 0.00 0.00 177.39 177.05 1yx0 n GLY 37 N 4.27 1.54 0.28 -3.96 0.00 -1.26 -4.93 105.19 101.13 1yx0 n GLY 37 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yx0 h LEU 38 N 2.59 0.84 -0.13 0.99 4.07 -1.98 -1.78 115.31 119.91 1yx0 h LEU 38 Ca -0.16 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1yx0 h LEU 38 Cb 1.21 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1yx0 h LEU 38 CO 0.24 0.96 -0.10 -1.84 -1.08 0.00 0.00 178.44 176.63 1yx0 n GLU 39 N -4.16 0.49 0.00 1.13 0.28 -1.26 -3.61 120.64 113.51 1yx0 n GLU 39 Ca 0.01 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1yx0 n GLU 39 Cb 0.37 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1yx0 n LYS 40 N -1.15 0.00 -0.19 3.44 3.00 -0.67 -1.04 118.16 121.56 1yx0 n LYS 40 Ca 0.13 0.23 0.07 0.00 -0.00 0.00 0.00 58.31 58.73 1yx0 n LYS 40 Cb 0.28 -1.17 0.36 0.00 0.00 0.00 0.00 35.03 34.49 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1yx0 h LEU 41 N 0.00 0.66 -5.68 3.14 -0.00 -1.73 -2.33 115.31 109.36 1yx0 h LEU 41 Ca 0.00 0.01 -0.75 0.00 -0.00 0.00 0.00 57.88 57.13 1yx0 h LEU 41 Cb 0.00 -0.14 -0.22 0.00 -0.00 0.00 0.00 40.66 40.30 1yx0 h LEU 41 CO 0.00 0.42 1.31 0.54 -0.00 0.00 0.00 178.44 180.71 1yx0 n ARG 42 N -4.48 4.42 -4.05 1.13 1.74 -1.18 -4.76 116.66 109.48 1yx0 n ARG 42 Ca 0.11 -3.91 -0.12 0.00 -0.77 0.00 0.00 57.85 53.16 1yx0 n ARG 42 Cb 0.25 -2.44 -0.04 0.00 -1.02 0.00 0.00 32.46 29.20 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 -0.70 1.09 0.26 -0.13 0.00 -0.21 -4.63 107.32 103.01 1yx0 s GLY 43 Ca 0.47 -1.26 0.12 0.00 0.00 0.00 0.00 44.72 44.05 1yx0 s GLY 43 CO -0.19 -0.85 1.54 -0.56 0.00 0.00 0.00 173.10 173.04 1yx0 h PRO 44 N 2.18 0.00 -0.29 2.90 0.13 -1.84 -3.08 132.00 132.01 1yx0 h PRO 44 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1yx0 h PRO 44 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1yx0 h PRO 44 CO 0.39 0.63 0.17 1.05 -0.23 0.00 0.00 178.00 180.01 1yx0 h GLU 45 N 0.00 0.39 -6.37 0.86 4.11 -1.91 -3.41 114.58 108.26 1yx0 h GLU 45 Ca -0.01 -0.03 -0.69 0.00 0.07 0.00 0.00 59.36 58.70 1yx0 h GLU 45 Cb 1.24 -0.09 -0.23 0.00 0.50 0.00 0.00 28.75 30.18 1yx0 h GLU 45 CO 0.08 0.28 -0.77 0.42 0.07 0.00 0.00 179.01 179.09 1yx0 s ILE 46 N -5.32 3.03 -0.08 -1.06 1.01 -1.16 -4.80 121.20 112.81 1yx0 s ILE 46 Ca -0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1yx0 s ILE 46 Cb 0.17 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1yx0 s ILE 46 CO 0.72 0.54 -0.02 -0.89 0.00 0.00 0.00 174.94 175.29 1yx0 s THR 47 N -0.78 4.15 -0.18 2.92 2.01 -1.26 -4.40 115.64 118.09 1yx0 s THR 47 Ca 0.12 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1yx0 s THR 47 Cb -0.11 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1yx0 s THR 47 CO 0.02 0.60 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.04 1yx0 s PHE 48 N -0.80 2.82 -0.13 4.92 0.08 -1.24 -4.03 117.98 119.60 1yx0 s PHE 48 Ca 0.12 -1.24 -0.04 0.00 0.12 0.00 0.00 56.93 55.89 1yx0 s PHE 48 Cb -0.11 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1yx0 s PHE 48 CO 0.02 -0.61 0.02 -1.58 -0.10 0.00 0.00 175.22 172.97 1yx0 s TRP 49 N 1.13 3.19 -0.01 0.36 0.51 -0.68 0.58 118.94 124.01 1yx0 s TRP 49 Ca 0.01 0.08 0.02 0.00 -2.12 0.00 0.00 56.10 54.09 1yx0 s TRP 49 Cb -0.14 -1.92 -0.00 0.00 -0.81 0.00 0.00 33.47 30.60 1yx0 s TRP 49 CO -0.05 0.30 -0.07 -1.12 -0.51 0.00 0.00 176.95 175.50 1yx0 s SER 50 N -0.29 0.83 -0.14 2.95 0.01 -0.78 -0.28 113.70 115.99 1yx0 s SER 50 Ca 0.07 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.15 1yx0 s SER 50 Cb -0.12 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1yx0 s SER 50 CO 0.02 0.06 0.05 0.00 0.41 0.00 0.00 173.24 173.78 1yx0 s ALA 51 N 0.01 3.41 -0.12 1.44 0.00 0.17 -2.08 121.76 124.59 1yx0 s ALA 51 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1yx0 s ALA 51 Cb -0.05 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1yx0 s ALA 51 CO -0.00 0.39 -0.19 -1.58 0.00 0.00 0.00 175.76 174.38 1yx0 s TRP 52 N -0.28 2.67 -0.47 0.00 0.52 -0.60 0.19 118.94 120.97 1yx0 s TRP 52 Ca 0.08 -0.91 0.05 0.00 0.02 0.00 0.00 56.10 55.34 1yx0 s TRP 52 Cb -0.12 -1.77 0.20 0.00 -1.15 0.00 0.00 33.47 30.62 1yx0 s TRP 52 CO 0.02 -0.36 0.44 -1.91 0.02 0.00 0.00 176.95 175.16 1yx0 n GLU 53 N 3.58 0.74 0.00 4.98 2.13 -1.21 -3.85 120.64 127.00 1yx0 n GLU 53 Ca -0.19 -3.50 0.00 0.00 0.66 0.00 0.00 57.16 54.14 1yx0 n GLU 53 Cb 0.53 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 2.20 0.41 0.75 8.31 0.00 -1.26 -4.42 105.19 111.18 1yx0 n GLY 54 Ca 0.26 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 2.73 -3.78 1.61 9.92 -1.26 -4.98 116.55 120.79 1yx0 n ASP 55 Ca 0.00 -1.80 -0.23 0.00 -0.53 0.00 0.00 54.79 52.23 1yx0 n ASP 55 Cb 0.00 -0.13 -0.05 0.00 -0.64 0.00 0.00 41.12 40.30 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1yx0 n GLU 56 N 0.93 0.93 -2.62 -1.24 0.28 -1.26 -5.07 120.64 112.60 1yx0 n GLU 56 Ca 0.12 -2.75 -0.34 0.00 -0.16 0.00 0.00 57.16 54.03 1yx0 n GLU 56 Cb 0.44 0.98 -0.04 0.00 1.43 0.00 0.00 31.44 34.25 1yx0 n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1yx0 s LEU 57 N 0.00 3.90 -0.01 -1.84 1.43 -1.26 -3.36 118.68 117.54 1yx0 s LEU 57 Ca 0.05 1.88 0.10 0.00 -1.03 0.00 0.00 54.13 55.13 1yx0 s LEU 57 Cb 0.00 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.56 1yx0 s LEU 57 CO 0.04 -0.64 0.25 0.00 0.23 0.00 0.00 176.35 176.22 1yx0 n ALA 58 N -0.79 2.52 0.00 4.21 0.00 0.49 -4.55 120.51 122.39 1yx0 n ALA 58 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1yx0 n ALA 58 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.82 3.61 2.93 0.00 0.00 -0.78 -4.02 105.19 108.75 1yx0 n GLY 59 Ca -0.01 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 1yx0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s GLY 61 N 0.16 0.44 0.02 0.00 0.00 0.61 -4.07 107.32 104.47 1yx0 s GLY 61 Ca -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 44.72 43.76 1yx0 s GLY 61 CO -0.00 -0.98 0.09 0.00 0.00 0.00 0.00 173.10 172.20 1yx0 s ALA 62 N -2.37 -0.12 -0.27 3.20 0.00 -1.26 -1.69 121.76 119.26 1yx0 s ALA 62 Ca -0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 1yx0 s ALA 62 Cb -0.03 0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.38 1yx0 s ALA 62 CO -0.03 -0.25 0.58 -0.48 0.00 0.00 0.00 175.76 175.58 1yx0 s LEU 63 N -1.72 -0.97 -0.22 0.00 0.05 -1.26 -2.97 118.68 111.59 1yx0 s LEU 63 Ca -0.11 1.39 -0.11 0.00 0.05 0.00 0.00 54.13 55.36 1yx0 s LEU 63 Cb -0.05 2.02 -0.05 0.00 -2.05 0.00 0.00 46.19 46.06 1yx0 s LEU 63 CO -0.02 -0.22 0.19 -0.75 -0.55 0.00 0.00 176.35 175.00 1yx0 s LYS 64 N 2.71 4.13 0.52 1.48 2.20 -1.20 -4.40 119.74 125.19 1yx0 s LYS 64 Ca -0.05 -0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 55.20 1yx0 s LYS 64 Cb -0.12 -3.50 -0.14 0.00 -1.51 0.00 0.00 37.83 32.56 1yx0 s LYS 64 CO -0.17 0.13 -0.06 0.39 -0.36 0.00 0.00 175.35 175.27 1yx0 n GLU 65 N 4.05 0.06 0.00 4.03 1.02 -1.26 -4.22 120.64 124.31 1yx0 n GLU 65 Ca -0.14 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1yx0 n GLU 65 Cb 0.52 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1yx0 n LEU 66 N 2.28 0.00 0.00 -4.62 4.32 -1.25 -4.95 117.00 112.79 1yx0 n LEU 66 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.91 1yx0 n LEU 66 Cb 0.47 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.25 1yx0 n LEU 66 CO 0.54 0.00 -0.08 0.47 -1.22 0.00 0.00 177.39 177.10 1yx0 n ASP 67 N -0.21 2.51 0.19 -1.43 9.92 -0.91 -4.97 116.55 121.64 1yx0 n ASP 67 Ca 0.00 -2.13 0.05 0.00 -0.53 0.00 0.00 54.79 52.18 1yx0 n ASP 67 Cb 0.00 0.13 0.36 0.00 -0.64 0.00 0.00 41.12 40.96 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yx0 h THR 68 N 0.98 1.01 -0.02 -3.53 1.03 -2.02 -3.24 112.91 107.11 1yx0 h THR 68 Ca -0.21 -1.46 -0.16 0.00 -0.01 0.00 0.00 66.41 64.57 1yx0 h THR 68 Cb 0.68 1.85 -0.32 0.00 -1.07 0.00 0.00 68.15 69.29 1yx0 h THR 68 CO 0.35 0.38 -0.95 0.54 -0.01 0.00 0.00 175.52 175.83 1yx0 n ARG 69 N -3.69 0.37 -4.20 0.00 1.74 -1.26 -4.56 116.66 105.07 1yx0 n ARG 69 Ca -0.01 -2.30 -0.17 0.00 -0.77 0.00 0.00 57.85 54.60 1yx0 n ARG 69 Cb 0.48 -0.36 -0.15 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.73 0.59 0.14 -1.55 2.46 -1.22 -2.20 115.29 112.78 1yx0 s HIS 70 Ca 0.35 -0.12 -0.03 0.00 0.47 0.00 0.00 55.06 55.72 1yx0 s HIS 70 Cb 0.38 -0.43 -0.03 0.00 -0.13 0.00 0.00 32.58 32.37 1yx0 s HIS 70 CO -0.15 -0.06 0.12 0.20 -2.47 0.00 0.00 174.74 172.39 1yx0 s GLY 71 N 0.15 0.86 -0.01 1.59 0.00 -1.11 -2.13 107.32 106.67 1yx0 s GLY 71 Ca -0.02 -1.31 -0.08 0.00 0.00 0.00 0.00 44.72 43.31 1yx0 s GLY 71 CO -0.00 -1.22 0.17 -0.54 0.00 0.00 0.00 173.10 171.51 1yx0 s GLU 72 N -4.03 0.49 -0.04 2.90 2.02 -1.26 -2.74 118.70 116.04 1yx0 s GLU 72 Ca 0.23 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 54.98 1yx0 s GLU 72 Cb 0.06 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 1yx0 s GLU 72 CO 0.02 -0.12 -0.22 0.42 0.02 0.00 0.00 175.26 175.38 1yx0 s ILE 73 N -1.23 2.37 -0.32 -1.63 1.09 -1.26 -3.20 121.20 117.03 1yx0 s ILE 73 Ca -0.13 -0.98 0.17 0.00 -1.10 0.00 0.00 60.65 58.61 1yx0 s ILE 73 Cb -0.07 -1.86 0.47 0.00 -1.06 0.00 0.00 42.46 39.94 1yx0 s ILE 73 CO 0.02 0.58 1.02 2.29 -0.10 0.00 0.00 174.94 178.75 1yx0 n LYS 74 N 2.48 1.63 -3.17 2.79 2.85 -1.16 -4.75 118.16 118.83 1yx0 n LYS 74 Ca -0.17 -3.48 0.04 0.00 -1.05 0.00 0.00 58.31 53.65 1yx0 n LYS 74 Cb 0.51 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 1yx0 n LYS 74 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1yx0 s SER 75 N -3.35 -0.05 -0.44 -5.58 0.01 -1.26 -4.58 113.70 98.44 1yx0 s SER 75 Ca 0.30 0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.70 1yx0 s SER 75 Cb 0.42 1.06 0.34 0.00 0.21 0.00 0.00 66.02 68.04 1yx0 s SER 75 CO -0.00 -0.01 1.16 0.80 0.41 0.00 0.00 173.24 175.59 1yx0 n MET 76 N 4.65 1.06 -3.72 12.44 1.56 -1.26 -3.99 117.12 127.85 1yx0 n MET 76 Ca -0.07 -1.96 -0.14 0.00 -0.27 0.00 0.00 57.70 55.26 1yx0 n MET 76 Cb 0.56 -0.85 -0.08 0.00 2.15 0.00 0.00 33.22 35.00 1yx0 n MET 76 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 1yx0 s ARG 77 N 0.15 0.75 -0.16 2.12 3.03 -1.26 -5.03 118.95 118.55 1yx0 s ARG 77 Ca 0.23 -0.16 -0.33 0.00 2.03 0.00 0.00 55.73 57.49 1yx0 s ARG 77 Cb 0.32 0.34 0.14 0.00 -1.03 0.00 0.00 34.95 34.71 1yx0 s ARG 77 CO -0.06 -0.22 1.15 -0.08 -1.13 0.00 0.00 175.30 174.97 1yx0 s THR 78 N -1.47 0.00 0.60 4.99 -1.32 -1.26 -4.17 115.64 113.00 1yx0 s THR 78 Ca -0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1yx0 s THR 78 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1yx0 s THR 78 CO 0.04 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.91 1yx0 n SER 79 N -0.03 -8.29 -2.40 8.08 3.41 -1.26 -4.29 113.62 108.83 1yx0 n SER 79 Ca -0.02 1.78 -0.21 0.00 -0.26 0.00 0.00 58.87 60.16 1yx0 n SER 79 Cb 0.59 -5.04 -0.11 0.00 -0.26 0.00 0.00 64.21 59.38 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yx0 n ALA 80 N -3.03 6.60 -2.34 7.33 0.00 -1.26 -4.60 120.51 123.21 1yx0 n ALA 80 Ca -0.02 -2.52 -0.13 0.00 0.00 0.00 0.00 53.44 50.77 1yx0 n ALA 80 Cb 0.53 -2.46 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx0 n SER 81 N 2.22 -3.92 -0.13 0.00 7.64 -1.26 -4.78 113.62 113.39 1yx0 n SER 81 Ca 0.51 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.71 1yx0 n SER 81 Cb 0.69 -3.36 0.31 0.00 -1.01 0.00 0.00 64.21 60.84 1yx0 n SER 81 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1yx0 n HIS 82 N -3.27 0.00 -4.31 1.43 8.25 -1.26 -4.86 115.22 111.20 1yx0 n HIS 82 Ca -0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.02 1yx0 n HIS 82 Cb 0.60 -0.18 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yx0 s LEU 83 N -2.74 2.69 -0.60 2.41 1.43 -1.26 -5.09 118.68 115.51 1yx0 s LEU 83 Ca 0.18 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1yx0 s LEU 83 Cb 0.18 -1.51 0.15 0.00 0.03 0.00 0.00 46.19 45.04 1yx0 s LEU 83 CO 0.61 0.17 0.53 -0.13 0.23 0.00 0.00 176.35 177.76 1yx0 s ARG 84 N -2.23 3.03 0.64 1.70 1.81 -1.26 -5.00 118.95 117.64 1yx0 s ARG 84 Ca 0.18 -1.95 0.00 0.00 -1.72 0.00 0.00 55.73 52.25 1yx0 s ARG 84 Cb -0.10 -4.23 0.00 0.00 -0.45 0.00 0.00 34.95 30.16 1yx0 s ARG 84 CO 0.10 -1.29 0.00 1.63 -0.68 0.00 0.00 175.30 175.07 1yx0 n LYS 85 N 4.78 -0.38 0.00 3.54 5.02 -1.26 -4.82 118.16 125.04 1yx0 n LYS 85 Ca -0.05 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1yx0 n LYS 85 Cb 0.42 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yx0 n GLY 86 N -0.64 2.37 0.40 0.72 0.00 -1.26 -4.75 105.19 102.03 1yx0 n GLY 86 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1yx0 n GLY 86 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1yx0 h VAL 87 N 0.00 0.09 -0.95 1.61 -1.51 -1.88 0.63 116.25 114.24 1yx0 h VAL 87 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.57 1yx0 h VAL 87 Cb 0.00 0.09 -0.07 0.00 -2.13 0.00 0.00 31.29 29.17 1yx0 h VAL 87 CO 0.00 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 176.95 1yx0 h ALA 88 N 0.47 1.56 -0.34 5.19 0.00 -1.86 -0.55 119.26 123.74 1yx0 h ALA 88 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1yx0 h ALA 88 Cb 0.57 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1yx0 h ALA 88 CO -0.63 0.23 0.02 -0.22 0.00 0.00 0.00 179.25 178.65 1yx0 h LYS 89 N 0.97 0.12 -0.13 0.00 1.63 -0.23 1.07 116.57 120.00 1yx0 h LYS 89 Ca 0.45 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.27 1yx0 h LYS 89 Cb 0.41 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1yx0 h LYS 89 CO -0.21 0.08 -0.05 1.96 -3.45 0.00 0.00 179.45 177.78 1yx0 h GLN 90 N 0.12 -0.03 0.46 1.90 1.08 0.79 0.37 115.11 119.80 1yx0 h GLN 90 Ca 0.16 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1yx0 h GLN 90 Cb 0.21 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1yx0 h GLN 90 CO -0.25 -0.02 -0.22 0.28 -0.95 0.00 0.00 178.83 177.66 1yx0 h VAL 91 N -0.04 0.55 -0.54 -0.54 2.07 -0.62 -0.44 116.25 116.69 1yx0 h VAL 91 Ca 0.07 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1yx0 h VAL 91 Cb 0.14 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 1yx0 h VAL 91 CO -0.15 0.02 -0.18 0.25 0.02 0.00 0.00 177.57 177.53 1yx0 h LEU 92 N -0.68 -0.65 -0.74 2.57 5.85 0.14 0.67 115.31 122.47 1yx0 h LEU 92 Ca -0.06 0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1yx0 h LEU 92 Cb 0.51 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1yx0 h LEU 92 CO 0.10 -0.22 0.39 -0.61 -0.34 0.00 0.00 178.44 177.76 1yx0 h GLN 93 N -0.05 0.64 -0.67 1.25 -0.00 -0.01 0.03 115.11 116.30 1yx0 h GLN 93 Ca 0.26 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.79 1yx0 h GLN 93 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.76 1yx0 h GLN 93 CO -0.59 0.42 0.13 1.25 0.00 0.00 0.00 178.83 180.04 1yx0 h HIS 94 N 0.66 1.15 0.20 3.99 2.76 0.12 0.17 115.15 124.20 1yx0 h HIS 94 Ca 0.36 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1yx0 h HIS 94 Cb 0.35 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1yx0 h HIS 94 CO -0.09 0.96 -0.21 0.82 -1.30 0.00 0.00 177.93 178.10 1yx0 h ILE 95 N 1.03 0.54 0.02 6.26 1.08 0.19 1.37 117.51 127.99 1yx0 h ILE 95 Ca 0.21 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1yx0 h ILE 95 Cb 0.41 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1yx0 h ILE 95 CO 0.01 0.00 -0.01 0.40 -0.69 0.00 0.00 178.15 177.86 1yx0 h ILE 96 N -0.45 1.00 -0.49 -0.67 2.04 -0.90 0.10 117.51 118.15 1yx0 h ILE 96 Ca 0.00 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1yx0 h ILE 96 Cb 0.43 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1yx0 h ILE 96 CO -0.06 0.02 0.20 -0.08 0.00 0.00 0.00 178.15 178.23 1yx0 h GLU 97 N -0.07 0.38 -0.33 2.37 4.22 -0.36 1.44 114.58 122.23 1yx0 h GLU 97 Ca -0.00 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.43 1yx0 h GLU 97 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1yx0 h GLU 97 CO 0.01 0.25 0.20 0.93 -2.18 0.00 0.00 179.01 178.22 1yx0 h GLU 98 N 0.39 0.40 -0.04 1.92 4.39 0.22 -1.53 114.58 120.32 1yx0 h GLU 98 Ca 0.23 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 1yx0 h GLU 98 Cb 0.21 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1yx0 h GLU 98 CO -0.21 0.26 -0.48 0.00 -1.16 0.00 0.00 179.01 177.43 1yx0 h ALA 99 N 1.14 1.13 -0.46 3.43 0.00 -0.04 -2.60 119.26 121.87 1yx0 h ALA 99 Ca 0.13 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1yx0 h ALA 99 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yx0 h ALA 99 CO -0.06 0.62 0.31 0.93 0.00 0.00 0.00 179.25 181.05 1yx0 h GLU 100 N 0.08 0.50 0.09 0.00 4.39 0.29 0.19 114.58 120.13 1yx0 h GLU 100 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1yx0 h GLU 100 Cb 0.87 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1yx0 h GLU 100 CO 0.07 0.33 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.99 1yx0 h LYS 101 N 0.52 -0.12 -0.95 2.33 3.64 -0.99 -3.24 116.57 117.76 1yx0 h LYS 101 Ca 0.18 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.71 1yx0 h LYS 101 Cb 0.09 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1yx0 h LYS 101 CO -0.05 0.42 0.57 -0.09 -2.27 0.00 0.00 179.45 178.03 1yx0 h ARG 102 N -0.79 0.83 -0.45 1.90 9.65 -1.20 -3.46 114.38 120.85 1yx0 h ARG 102 Ca -0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1yx0 h ARG 102 Cb 0.58 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1yx0 h ARG 102 CO 0.02 0.55 0.00 0.41 2.80 0.00 0.00 179.97 183.75 1yx0 n GLY 103 N -1.34 0.88 3.98 2.80 0.00 0.64 -5.09 105.19 107.07 1yx0 n GLY 103 Ca 0.19 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.15 3.09 -0.00 1.61 2.02 -1.05 -4.65 117.35 116.22 1yx0 s TYR 104 Ca 0.00 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1yx0 s TYR 104 Cb 0.00 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.41 1yx0 s TYR 104 CO 0.00 -0.19 0.65 0.39 -1.57 0.00 0.00 175.55 174.83 1yx0 n GLU 105 N -1.81 0.29 -3.64 -0.62 4.71 -1.18 -4.79 120.64 113.60 1yx0 n GLU 105 Ca 0.02 -0.73 -0.12 0.00 -0.01 0.00 0.00 57.16 56.31 1yx0 n GLU 105 Cb 0.58 -0.57 -0.07 0.00 -1.01 0.00 0.00 31.44 30.37 1yx0 n GLU 105 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1yx0 s ARG 106 N -0.16 0.77 -0.00 3.49 3.52 -0.94 -4.41 118.95 121.23 1yx0 s ARG 106 Ca 0.01 1.03 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 1yx0 s ARG 106 Cb 0.01 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1yx0 s ARG 106 CO 0.00 -0.11 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.85 1yx0 s LEU 107 N 0.74 1.99 0.40 -0.88 1.43 -0.79 -2.74 118.68 118.83 1yx0 s LEU 107 Ca -0.03 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1yx0 s LEU 107 Cb -0.05 -0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.03 1yx0 s LEU 107 CO -0.05 0.02 0.28 -0.94 0.23 0.00 0.00 176.35 175.89 1yx0 s SER 108 N -0.03 4.82 0.26 2.29 1.04 -1.11 -1.64 113.70 119.33 1yx0 s SER 108 Ca 0.01 -0.84 -0.21 0.00 0.48 0.00 0.00 55.95 55.38 1yx0 s SER 108 Cb -0.01 -0.58 0.03 0.00 0.10 0.00 0.00 66.02 65.55 1yx0 s SER 108 CO -0.00 -0.56 0.71 -1.48 0.98 0.00 0.00 173.24 172.89 1yx0 s LEU 109 N -4.02 -0.29 -0.40 2.42 0.05 -1.26 -4.13 118.68 111.05 1yx0 s LEU 109 Ca 0.44 -0.54 -0.11 0.00 0.05 0.00 0.00 54.13 53.98 1yx0 s LEU 109 Cb -0.01 2.71 0.05 0.00 -2.05 0.00 0.00 46.19 46.89 1yx0 s LEU 109 CO 0.25 -1.30 0.25 -1.83 -0.55 0.00 0.00 176.35 173.17 1yx0 s GLU 110 N -3.89 2.74 -0.26 1.48 1.03 -1.26 -3.67 118.70 114.87 1yx0 s GLU 110 Ca 0.10 -1.27 -0.12 0.00 0.03 0.00 0.00 54.97 53.71 1yx0 s GLU 110 Cb -0.05 -3.79 0.09 0.00 -0.80 0.00 0.00 34.13 29.58 1yx0 s GLU 110 CO 0.05 -0.84 0.59 0.99 -1.33 0.00 0.00 175.26 174.72 1yx0 s THR 111 N 1.51 -0.40 0.00 1.83 2.01 -1.26 -4.91 115.64 114.42 1yx0 s THR 111 Ca 0.02 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.14 1yx0 s THR 111 Cb -0.21 -0.89 0.12 0.00 0.01 0.00 0.00 72.50 71.53 1yx0 s THR 111 CO 0.05 0.02 1.00 0.61 -0.69 0.00 0.00 174.62 175.60 1yx0 n GLY 112 N 4.80 0.69 1.64 4.40 0.00 -1.25 -3.74 105.19 111.72 1yx0 n GLY 112 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1yx0 n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yx0 n SER 113 N 0.14 0.00 -3.74 1.61 7.64 -1.26 -3.95 113.62 114.05 1yx0 n SER 113 Ca -0.14 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.20 1yx0 n SER 113 Cb 0.80 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.92 1yx0 n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1yx0 n MET 114 N -2.00 0.00 -0.14 1.43 0.00 -1.26 -4.58 117.12 110.57 1yx0 n MET 114 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.67 1yx0 n MET 114 Cb 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 33.22 32.06 1yx0 n MET 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yx0 h ALA 115 N 4.67 0.42 -0.17 -5.12 0.00 -1.97 0.80 119.26 117.89 1yx0 h ALA 115 Ca -0.30 0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1yx0 h ALA 115 Cb 1.11 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1yx0 h ALA 115 CO 0.81 -0.39 0.38 1.03 0.00 0.00 0.00 179.25 181.07 1yx0 h SER 116 N 0.10 0.00 -0.08 0.00 0.87 -2.04 0.32 113.55 112.73 1yx0 h SER 116 Ca 0.23 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1yx0 h SER 116 Cb 0.34 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.16 1yx0 h SER 116 CO -0.39 0.00 -0.66 0.49 -0.53 0.00 0.00 176.83 175.73 1yx0 n PHE 117 N -3.24 0.28 0.04 2.24 3.72 0.23 -4.80 117.46 115.93 1yx0 n PHE 117 Ca 0.02 -1.36 -0.12 0.00 -0.05 0.00 0.00 57.45 55.93 1yx0 n PHE 117 Cb 0.48 -0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.15 -0.04 0.00 -1.08 5.08 0.38 -2.62 114.58 117.46 1yx0 h GLU 118 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1yx0 h GLU 118 Cb 1.25 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1yx0 h GLU 118 CO 0.10 0.06 -0.14 -1.00 -1.00 0.00 0.00 179.01 177.02 1yx0 h PRO 119 N -0.12 0.00 -0.63 2.33 0.13 -1.87 -3.20 132.00 128.65 1yx0 h PRO 119 Ca -0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1yx0 h PRO 119 Cb 0.11 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.15 1yx0 h PRO 119 CO 0.01 0.14 0.11 0.00 -0.23 0.00 0.00 178.00 178.03 1yx0 h ALA 120 N 1.86 0.73 -0.51 -0.56 0.00 -1.79 0.29 119.26 119.28 1yx0 h ALA 120 Ca -0.00 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1yx0 h ALA 120 Cb 0.86 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1yx0 h ALA 120 CO 0.02 -0.33 -0.00 -0.09 0.00 0.00 0.00 179.25 178.85 1yx0 h ARG 121 N 0.23 0.91 -0.46 0.00 2.43 -1.54 -1.78 114.38 114.18 1yx0 h ARG 121 Ca 0.33 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1yx0 h ARG 121 Cb 0.52 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1yx0 h ARG 121 CO -0.44 0.93 0.31 0.87 -1.51 0.00 0.00 179.97 180.13 1yx0 h LYS 122 N 0.77 0.40 -0.19 0.20 1.57 -1.01 0.73 116.57 119.05 1yx0 h LYS 122 Ca 0.14 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 1yx0 h LYS 122 Cb 0.53 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1yx0 h LYS 122 CO 0.03 0.26 -0.64 1.25 -0.57 0.00 0.00 179.45 179.78 1yx0 h LEU 123 N 0.41 0.79 0.02 2.94 7.12 -0.02 -2.63 115.31 123.94 1yx0 h LEU 123 Ca 0.20 -0.46 -0.00 0.00 0.13 0.00 0.00 57.88 57.74 1yx0 h LEU 123 Cb 0.25 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1yx0 h LEU 123 CO -0.05 1.23 -0.01 1.88 -0.13 0.00 0.00 178.44 181.36 1yx0 h TYR 124 N 0.50 -0.02 -0.24 1.25 0.99 -0.13 -3.03 116.97 116.28 1yx0 h TYR 124 Ca -0.01 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.79 1yx0 h TYR 124 Cb 1.23 0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.96 1yx0 h TYR 124 CO 0.06 0.53 0.29 0.93 -0.00 0.00 0.00 178.16 179.98 1yx0 h GLU 125 N -0.60 0.00 0.00 4.88 5.08 0.32 0.80 114.58 125.06 1yx0 h GLU 125 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1yx0 h GLU 125 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1yx0 h GLU 125 CO 0.00 0.00 -0.08 1.03 -1.00 0.00 0.00 179.01 178.96 1yx0 h SER 126 N 0.00 0.00 0.72 1.42 0.87 -1.34 -2.51 113.55 112.71 1yx0 h SER 126 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1yx0 h SER 126 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1yx0 h SER 126 CO -0.00 0.08 -0.99 0.49 -0.53 0.00 0.00 176.83 175.88 1yx0 n PHE 127 N -3.20 0.59 0.00 2.24 3.72 0.28 -4.94 117.46 116.14 1yx0 n PHE 127 Ca 0.01 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1yx0 n PHE 127 Cb 0.37 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yx0 n GLY 128 N 1.28 1.23 3.15 1.37 0.00 -0.94 -5.08 105.19 106.19 1yx0 n GLY 128 Ca 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.28 0.13 -4.48 1.61 3.72 -1.03 -4.94 117.46 112.19 1yx0 n PHE 129 Ca 0.00 0.93 -0.23 0.00 -0.05 0.00 0.00 57.45 58.10 1yx0 n PHE 129 Cb 0.00 -1.85 -0.11 0.00 -0.94 0.00 0.00 39.48 36.58 1yx0 n PHE 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1yx0 s GLN 130 N -0.40 1.68 0.18 -1.08 -2.07 -0.78 -4.53 119.66 112.66 1yx0 s GLN 130 Ca 0.72 -1.89 -0.30 0.00 -1.82 0.00 0.00 55.36 52.07 1yx0 s GLN 130 Cb -1.02 -1.24 -0.08 0.00 -1.09 0.00 0.00 33.01 29.59 1yx0 s GLN 130 CO 0.51 -0.02 0.95 0.71 -1.32 0.00 0.00 175.29 176.13 1yx0 s TYR 131 N -2.98 3.91 0.00 9.60 2.02 -1.26 0.14 117.35 128.78 1yx0 s TYR 131 Ca 0.32 1.87 0.00 0.00 -0.37 0.00 0.00 57.07 58.89 1yx0 s TYR 131 Cb 0.06 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.61 1yx0 s TYR 131 CO 0.14 0.35 0.00 0.00 -1.57 0.00 0.00 175.55 174.48 1yx0 n GLU 133 N 0.00 0.00 -1.55 0.00 4.71 -1.26 -4.47 120.64 118.07 1yx0 n GLU 133 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 1yx0 n GLU 133 Cb 0.00 -1.40 0.09 0.00 -1.01 0.00 0.00 31.44 29.12 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1yx0 s PRO 134 N 1.84 2.11 0.01 3.49 0.04 -1.26 -4.68 135.00 136.55 1yx0 s PRO 134 Ca 0.93 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1yx0 s PRO 134 Cb -1.32 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1yx0 s PRO 134 CO 0.68 -1.60 0.00 0.34 0.04 0.00 0.00 177.00 176.46 1yx0 n PHE 135 N -3.42 -0.68 0.00 0.56 7.35 -1.26 -4.96 117.46 115.05 1yx0 n PHE 135 Ca 0.07 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1yx0 n PHE 135 Cb 0.56 0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.58 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1yx0 n ALA 136 N -1.80 0.00 0.10 3.13 0.00 -1.24 -2.05 120.51 118.65 1yx0 n ALA 136 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1yx0 n ALA 136 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.93 3.37 0.00 0.00 4.64 -1.26 -4.89 116.55 114.48 1yx0 n ASP 137 Ca 0.00 -2.31 0.00 0.00 -1.38 0.00 0.00 54.79 51.10 1yx0 n ASP 137 Cb 0.00 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 39.61 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1yx0 n TYR 138 N 0.67 0.00 -4.13 -0.67 4.01 -0.87 -5.15 117.16 111.02 1yx0 n TYR 138 Ca 0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.82 1yx0 n TYR 138 Cb 0.64 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.57 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1yx0 s GLY 139 N 0.00 0.85 1.01 2.72 0.00 -1.26 -4.62 107.32 106.03 1yx0 s GLY 139 Ca 0.00 -1.40 -0.22 0.00 0.00 0.00 0.00 44.72 43.10 1yx0 s GLY 139 CO 0.00 -1.35 -0.90 1.18 0.00 0.00 0.00 173.10 172.03 1yx0 n GLU 140 N -0.04 -0.26 -3.60 2.90 -0.58 -1.26 -5.00 120.64 112.79 1yx0 n GLU 140 Ca -0.08 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1yx0 n GLU 140 Cb 0.63 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 30.31 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1yx0 s ASP 141 N -1.22 -0.05 0.00 1.62 1.11 -1.26 -5.00 116.67 111.86 1yx0 s ASP 141 Ca 0.42 -0.06 0.22 0.00 0.18 0.00 0.00 52.55 53.31 1yx0 s ASP 141 Cb -0.05 0.10 0.98 0.00 1.07 0.00 0.00 42.92 45.03 1yx0 s ASP 141 CO 0.72 -0.18 1.71 -0.81 1.18 0.00 0.00 175.17 177.78 1yx0 n PRO 142 N -0.35 0.08 -3.19 8.23 -0.04 -1.26 -3.78 135.00 134.69 1yx0 n PRO 142 Ca -0.05 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 1yx0 n PRO 142 Cb 0.61 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1yx0 n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1yx0 n ASN 143 N -1.45 0.25 -2.97 3.54 3.02 -1.26 -5.10 115.26 111.30 1yx0 n ASN 143 Ca 0.07 -2.72 -0.09 0.00 -0.03 0.00 0.00 54.58 51.81 1yx0 n ASN 143 Cb 0.24 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.26 0.05 0.26 6.41 0.15 -1.25 -4.98 113.70 113.09 1yx0 s SER 144 Ca 0.35 -1.15 -0.11 0.00 0.70 0.00 0.00 55.95 55.74 1yx0 s SER 144 Cb 0.18 0.84 -0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1yx0 s SER 144 CO -0.11 -1.66 0.46 0.68 1.20 0.00 0.00 173.24 173.81 1yx0 s VAL 145 N -2.39 0.00 0.16 4.45 -7.23 -1.25 -4.92 120.40 109.22 1yx0 s VAL 145 Ca 0.16 -1.46 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1yx0 s VAL 145 Cb -0.05 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1yx0 s VAL 145 CO 0.12 0.00 0.27 0.72 -0.31 0.00 0.00 175.10 175.89 1yx0 s PHE 146 N -3.83 0.45 -0.15 2.82 -0.12 -1.25 -3.95 117.98 111.95 1yx0 s PHE 146 Ca 0.25 -0.81 -0.25 0.00 -0.05 0.00 0.00 56.93 56.06 1yx0 s PHE 146 Cb -0.00 -0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.35 1yx0 s PHE 146 CO 0.11 -0.71 0.64 1.41 -0.05 0.00 0.00 175.22 176.62 1yx0 s MET 147 N -3.98 0.87 0.02 1.99 1.75 -1.26 -4.35 119.30 114.34 1yx0 s MET 147 Ca 0.18 0.58 0.00 0.00 -1.25 0.00 0.00 55.69 55.21 1yx0 s MET 147 Cb 0.04 0.41 -0.02 0.00 2.84 0.00 0.00 34.83 38.10 1yx0 s MET 147 CO 0.01 -0.19 -0.04 -0.08 -0.65 0.00 0.00 175.02 174.07 1yx0 s THR 148 N -0.36 0.20 -0.22 10.11 -1.32 0.36 -4.12 115.64 120.29 1yx0 s THR 148 Ca -0.05 -0.82 -0.07 0.00 -1.21 0.00 0.00 61.69 59.54 1yx0 s THR 148 Cb -0.03 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.62 1yx0 s THR 148 CO 0.05 -0.40 0.05 -0.75 -2.21 0.00 0.00 174.62 171.36 1yx0 s LYS 149 N -1.28 3.74 -0.44 7.08 2.36 -0.65 -1.86 119.74 128.69 1yx0 s LYS 149 Ca -0.12 -0.45 -0.10 0.00 -2.55 0.00 0.00 55.97 52.75 1yx0 s LYS 149 Cb -0.09 -3.24 0.09 0.00 -1.05 0.00 0.00 37.83 33.55 1yx0 s LYS 149 CO -0.01 -0.01 0.29 0.21 1.55 0.00 0.00 175.35 177.39 1yx0 s LYS 150 N 1.11 2.60 0.00 4.03 2.20 -1.26 -1.89 119.74 126.53 1yx0 s LYS 150 Ca 0.04 -1.53 0.10 0.00 -0.36 0.00 0.00 55.97 54.22 1yx0 s LYS 150 Cb -0.14 -3.85 0.61 0.00 -1.51 0.00 0.00 37.83 32.93 1yx0 s LYS 150 CO 0.03 -1.03 1.05 1.28 -0.36 0.00 0.00 175.35 176.32