#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 -1.25 -0.05 2.03 0.09 -1.22 -5.06 115.29 109.83 1yx0 s HIS 2 Ca 0.00 1.27 0.06 0.00 -0.00 0.00 0.00 55.06 56.39 1yx0 s HIS 2 Cb 0.00 0.42 -0.02 0.00 -0.00 0.00 0.00 32.58 32.98 1yx0 s HIS 2 CO 0.00 -0.69 -0.23 0.42 -0.00 0.00 0.00 174.74 174.24 1yx0 s ILE 3 N 2.89 2.23 0.29 0.60 -1.09 -1.26 -1.05 121.20 123.80 1yx0 s ILE 3 Ca 0.13 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1yx0 s ILE 3 Cb -0.13 -1.81 -0.01 0.00 -1.58 0.00 0.00 42.46 38.93 1yx0 s ILE 3 CO -0.18 0.57 0.36 -0.54 -1.23 0.00 0.00 174.94 173.93 1yx0 s LYS 4 N -0.33 1.64 -0.10 2.79 1.02 -0.56 -4.97 119.74 119.23 1yx0 s LYS 4 Ca 0.02 -1.66 -0.00 0.00 0.02 0.00 0.00 55.97 54.35 1yx0 s LYS 4 Cb -0.12 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1yx0 s LYS 4 CO 0.02 -0.64 -0.08 0.42 -0.92 0.00 0.00 175.35 174.14 1yx0 s ILE 5 N -3.58 3.56 -0.09 2.17 1.01 -1.26 -0.75 121.20 122.26 1yx0 s ILE 5 Ca 0.32 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1yx0 s ILE 5 Cb 0.02 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1yx0 s ILE 5 CO 0.17 0.56 -0.15 -0.62 0.00 0.00 0.00 174.94 174.90 1yx0 s ASP 6 N -0.30 2.22 -0.18 3.58 2.15 -0.62 -4.84 116.67 118.68 1yx0 s ASP 6 Ca 0.04 -0.38 0.01 0.00 0.43 0.00 0.00 52.55 52.64 1yx0 s ASP 6 Cb -0.13 -1.00 0.03 0.00 -0.30 0.00 0.00 42.92 41.52 1yx0 s ASP 6 CO 0.02 0.04 -0.12 1.51 -0.17 0.00 0.00 175.17 176.45 1yx0 s ASP 7 N 0.80 3.10 0.00 -0.34 -4.77 -1.26 -4.13 116.67 110.07 1yx0 s ASP 7 Ca -0.11 -0.72 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 1yx0 s ASP 7 Cb -0.16 -1.22 0.00 0.00 -1.09 0.00 0.00 42.92 40.45 1yx0 s ASP 7 CO 0.02 -0.10 0.00 0.18 0.70 0.00 0.00 175.17 175.96 1yx0 n LEU 8 N 4.72 0.00 -4.15 2.11 7.99 -1.26 -4.87 117.00 121.53 1yx0 n LEU 8 Ca -0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.46 1yx0 n LEU 8 Cb 0.48 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.80 1yx0 n LEU 8 CO 0.21 0.00 -0.66 0.41 -1.51 0.00 0.00 177.39 175.84 1yx0 n THR 9 N 0.00 0.00 -0.06 -5.08 -1.04 -1.26 -4.73 114.28 102.11 1yx0 n THR 9 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1yx0 n THR 9 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1yx0 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx0 n GLY 10 N 2.49 0.31 0.07 3.41 0.00 -1.26 -4.77 105.19 105.43 1yx0 n GLY 10 Ca 0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 1yx0 n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1yx0 h ARG 11 N 0.00 -0.03 -0.24 1.61 2.43 -1.98 -1.76 114.38 114.41 1yx0 h ARG 11 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1yx0 h ARG 11 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1yx0 h ARG 11 CO 0.00 0.30 0.07 1.96 -1.51 0.00 0.00 179.97 180.79 1yx0 h GLN 12 N -1.00 0.34 -0.16 0.20 4.20 -1.97 1.43 115.11 118.15 1yx0 h GLN 12 Ca -0.00 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1yx0 h GLN 12 Cb 0.35 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1yx0 h GLN 12 CO 0.01 0.31 -0.26 0.28 -0.67 0.00 0.00 178.83 178.50 1yx0 h VAL 13 N 0.34 1.35 -0.09 -0.54 2.07 -1.93 -2.04 116.25 115.42 1yx0 h VAL 13 Ca 0.08 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1yx0 h VAL 13 Cb 0.12 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1yx0 h VAL 13 CO -0.01 0.44 -0.16 0.58 0.02 0.00 0.00 177.57 178.45 1yx0 h VAL 14 N 0.09 1.39 -0.93 2.57 2.07 -0.66 -2.82 116.25 117.96 1yx0 h VAL 14 Ca 0.01 -1.43 0.21 0.00 0.82 0.00 0.00 66.70 66.32 1yx0 h VAL 14 Cb 0.83 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 1yx0 h VAL 14 CO 0.06 0.40 0.61 0.28 0.02 0.00 0.00 177.57 178.94 1yx0 h SER 15 N -0.19 0.44 -0.42 0.57 0.02 0.19 0.53 113.55 114.69 1yx0 h SER 15 Ca 0.01 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1yx0 h SER 15 Cb 0.73 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1yx0 h SER 15 CO 0.04 0.17 -0.02 0.25 -1.14 0.00 0.00 176.83 176.12 1yx0 h LEU 16 N 0.44 0.75 -0.53 5.07 6.46 -1.23 0.09 115.31 126.35 1yx0 h LEU 16 Ca 0.49 -0.32 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 1yx0 h LEU 16 Cb 1.20 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 1yx0 h LEU 16 CO -0.21 0.89 -0.05 0.58 -0.62 0.00 0.00 178.44 179.03 1yx0 h VAL 17 N 0.59 1.27 0.00 1.05 2.07 -0.12 -3.30 116.25 117.81 1yx0 h VAL 17 Ca 0.12 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1yx0 h VAL 17 Cb 0.52 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1yx0 h VAL 17 CO 0.03 0.42 0.00 0.59 0.02 0.00 0.00 177.57 178.63 1yx0 n ASN 18 N -4.22 0.00 0.00 0.57 3.02 0.14 -4.92 115.26 109.86 1yx0 n ASN 18 Ca 0.01 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1yx0 n ASN 18 Cb 0.36 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.85 0.00 -0.09 3.52 4.07 -0.00 -5.06 120.64 121.23 1yx0 n GLU 19 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 1yx0 n GLU 19 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1yx0 n HIS 20 N 0.00 0.65 0.22 4.31 -0.00 -1.21 -4.52 115.22 114.66 1yx0 n HIS 20 Ca 0.00 0.28 -0.15 0.00 0.46 0.00 0.00 57.72 58.31 1yx0 n HIS 20 Cb 0.00 -0.82 -0.07 0.00 -0.12 0.00 0.00 29.99 28.97 1yx0 n HIS 20 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1yx0 h LEU 21 N -1.00 -0.75 -2.50 0.27 4.07 -1.91 -3.47 115.31 110.01 1yx0 h LEU 21 Ca -0.17 0.06 -0.21 0.00 0.08 0.00 0.00 57.88 57.64 1yx0 h LEU 21 Cb 0.94 0.25 0.17 0.00 1.08 0.00 0.00 40.66 43.09 1yx0 h LEU 21 CO -0.10 -0.43 -0.71 1.57 -1.08 0.00 0.00 178.44 177.69 1yx0 n HIS 22 N -5.41 -2.05 -1.48 1.13 -0.00 -1.26 -4.90 115.22 101.25 1yx0 n HIS 22 Ca -0.10 0.72 -0.41 0.00 -0.00 0.00 0.00 57.72 57.93 1yx0 n HIS 22 Cb 0.31 -3.90 0.01 0.00 -0.00 0.00 0.00 29.99 26.42 1yx0 n HIS 22 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1yx0 n SER 23 N -2.93 -0.56 -4.62 0.26 3.41 -1.26 -4.88 113.62 103.05 1yx0 n SER 23 Ca -0.07 0.91 -0.34 0.00 -0.26 0.00 0.00 58.87 59.11 1yx0 n SER 23 Cb 0.60 -1.16 0.12 0.00 -0.26 0.00 0.00 64.21 63.51 1yx0 n SER 23 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1yx0 n MET 24 N 0.42 0.14 -0.40 4.33 2.81 -1.26 -4.87 117.12 118.29 1yx0 n MET 24 Ca 0.11 0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 56.04 1yx0 n MET 24 Cb 0.40 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.59 1yx0 n MET 24 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1yx0 h THR 25 N -0.90 0.00 -2.70 2.03 2.02 -2.03 -3.47 112.91 107.87 1yx0 h THR 25 Ca -0.46 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.80 1yx0 h THR 25 Cb 1.31 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1yx0 h THR 25 CO 0.44 0.00 -0.78 0.18 0.37 0.00 0.00 175.52 175.73 1yx0 n LEU 26 N -5.32 -1.10 -4.65 2.58 4.77 -1.26 -4.68 117.00 107.34 1yx0 n LEU 26 Ca 0.04 2.01 -0.55 0.00 -0.03 0.00 0.00 56.01 57.48 1yx0 n LEU 26 Cb 0.30 -2.10 -0.07 0.00 -2.33 0.00 0.00 43.42 39.22 1yx0 n LEU 26 CO -0.15 -0.88 1.44 0.80 -1.33 0.00 0.00 177.39 177.27 1yx0 n MET 27 N -2.73 1.27 -3.65 3.23 1.56 -1.26 -4.89 117.12 110.65 1yx0 n MET 27 Ca -0.02 0.45 -0.02 0.00 -0.27 0.00 0.00 57.70 57.83 1yx0 n MET 27 Cb 0.40 -2.23 -0.06 0.00 2.15 0.00 0.00 33.22 33.48 1yx0 n MET 27 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1yx0 s SER 28 N 4.33 -0.03 -0.27 6.12 0.15 -1.26 -5.13 113.70 117.61 1yx0 s SER 28 Ca 1.00 0.05 -0.29 0.00 0.70 0.00 0.00 55.95 57.41 1yx0 s SER 28 Cb -0.99 0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1yx0 s SER 28 CO 0.61 -0.01 1.33 -2.16 1.20 0.00 0.00 173.24 174.21 1yx0 s PRO 29 N -0.18 3.94 -0.55 5.44 0.04 -1.26 -4.96 135.00 137.47 1yx0 s PRO 29 Ca 0.08 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 1yx0 s PRO 29 Cb -0.04 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.62 1yx0 s PRO 29 CO -0.15 -1.09 1.49 -1.25 0.04 0.00 0.00 177.00 176.05 1yx0 s PRO 30 N 4.14 3.24 -0.67 0.56 0.04 -1.26 -4.92 135.00 136.13 1yx0 s PRO 30 Ca 0.58 0.56 0.05 0.00 0.04 0.00 0.00 61.00 62.23 1yx0 s PRO 30 Cb -0.18 -4.16 0.20 0.00 0.04 0.00 0.00 34.50 30.40 1yx0 s PRO 30 CO 0.23 -2.01 0.60 0.39 0.04 0.00 0.00 177.00 176.24 1yx0 n GLU 31 N 8.69 2.08 0.00 4.56 1.02 -1.26 -5.03 120.64 130.70 1yx0 n GLU 31 Ca 0.14 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.75 1yx0 n GLU 31 Cb 0.49 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1yx0 n SER 32 N 1.51 0.00 -3.04 1.62 3.41 -1.26 -5.08 113.62 110.78 1yx0 n SER 32 Ca 0.24 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.68 1yx0 n SER 32 Cb 0.38 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1yx0 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yx0 n ILE 33 N -0.14 -0.27 -2.27 -1.33 3.06 -1.26 -5.04 119.36 112.11 1yx0 n ILE 33 Ca 0.00 -3.41 -0.03 0.00 -2.50 0.00 0.00 62.75 56.80 1yx0 n ILE 33 Cb 0.00 -0.19 -0.03 0.00 0.54 0.00 0.00 39.64 39.96 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1yx0 n HIS 34 N 0.82 -3.59 -3.64 9.51 8.25 -1.26 -5.09 115.22 120.23 1yx0 n HIS 34 Ca 0.18 2.10 -0.00 0.00 -0.26 0.00 0.00 57.72 59.74 1yx0 n HIS 34 Cb 0.62 -3.41 -0.06 0.00 1.12 0.00 0.00 29.99 28.26 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 -0.50 -2.47 0.00 -1.41 0.00 -1.26 -5.17 121.76 110.94 1yx0 s ALA 35 Ca -0.17 2.10 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1yx0 s ALA 35 Cb 0.01 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1yx0 s ALA 35 CO 0.46 -0.35 0.00 -0.11 0.00 0.00 0.00 175.76 175.76 1yx0 n LEU 36 N 3.46 0.00 -2.70 0.00 7.94 -1.26 -5.09 117.00 119.35 1yx0 n LEU 36 Ca -0.18 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.66 1yx0 n LEU 36 Cb 0.57 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.57 1yx0 n LEU 36 CO 0.04 0.00 0.05 0.61 -1.11 0.00 0.00 177.39 176.98 1yx0 n GLY 37 N 3.24 1.55 0.55 -3.96 0.00 -1.26 -4.93 105.19 100.38 1yx0 n GLY 37 Ca 0.00 -0.98 0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 2.65 0.14 -5.06 0.99 -0.00 -1.98 1.31 115.31 113.37 1yx0 h LEU 38 Ca -0.16 0.11 -0.72 0.00 -0.00 0.00 0.00 57.88 57.11 1yx0 h LEU 38 Cb 1.22 0.11 -0.32 0.00 -0.00 0.00 0.00 40.66 41.68 1yx0 h LEU 38 CO 0.31 -0.18 0.51 -0.62 -0.00 0.00 0.00 178.44 178.47 1yx0 n GLU 39 N -4.49 3.30 0.00 1.13 1.02 -1.26 -4.50 120.64 115.83 1yx0 n GLU 39 Ca 0.41 -3.99 0.00 0.00 -0.02 0.00 0.00 57.16 53.56 1yx0 n GLU 39 Cb 1.69 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1yx0 n LYS 40 N -0.45 0.00 -2.09 3.49 5.02 0.45 -4.92 118.16 119.66 1yx0 n LYS 40 Ca 0.48 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.39 1yx0 n LYS 40 Cb 0.35 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.36 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yx0 n LEU 41 N -2.50 7.61 -2.67 -0.35 4.32 -1.20 -4.53 117.00 117.68 1yx0 n LEU 41 Ca 0.00 -4.91 -0.03 0.00 -0.02 0.00 0.00 56.01 51.05 1yx0 n LEU 41 Cb 0.00 -1.27 0.03 0.00 -1.62 0.00 0.00 43.42 40.57 1yx0 n LEU 41 CO 0.00 1.99 0.50 -0.60 -1.22 0.00 0.00 177.39 178.06 1yx0 s ARG 42 N -2.32 0.18 0.02 3.23 3.52 -1.26 -5.05 118.95 117.27 1yx0 s ARG 42 Ca 0.50 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1yx0 s ARG 42 Cb 0.23 -0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 1yx0 s ARG 42 CO -0.15 -0.22 0.16 0.41 -0.81 0.00 0.00 175.30 174.70 1yx0 n GLY 43 N 2.58 1.10 0.11 8.12 0.00 -1.26 -4.86 105.19 110.97 1yx0 n GLY 43 Ca 0.11 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1yx0 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yx0 h PRO 44 N 0.00 0.23 -0.50 1.61 0.13 -2.02 -3.19 132.00 128.26 1yx0 h PRO 44 Ca -0.04 -0.23 0.13 0.00 -0.87 0.00 0.00 66.00 64.99 1yx0 h PRO 44 Cb 0.18 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1yx0 h PRO 44 CO 0.05 0.92 0.35 1.05 -0.23 0.00 0.00 178.00 180.15 1yx0 h GLU 45 N -0.37 0.08 -5.25 0.86 4.11 -1.97 -3.38 114.58 108.66 1yx0 h GLU 45 Ca -0.03 -0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.79 1yx0 h GLU 45 Cb 1.01 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.12 1yx0 h GLU 45 CO 0.06 0.05 -0.46 0.42 0.07 0.00 0.00 179.01 179.16 1yx0 s ILE 46 N -5.10 5.37 -0.10 -1.06 -1.09 -1.21 -4.80 121.20 113.22 1yx0 s ILE 46 Ca -0.06 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1yx0 s ILE 46 Cb 0.19 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1yx0 s ILE 46 CO 0.73 0.39 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.85 1yx0 s THR 47 N 0.64 3.44 -0.22 2.92 2.01 -1.25 -4.32 115.64 118.87 1yx0 s THR 47 Ca 0.10 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1yx0 s THR 47 Cb -0.12 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1yx0 s THR 47 CO 0.01 0.56 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.07 1yx0 s PHE 48 N -0.25 2.94 -0.13 4.92 0.08 -1.26 -2.99 117.98 121.29 1yx0 s PHE 48 Ca 0.03 -1.15 -0.12 0.00 0.12 0.00 0.00 56.93 55.81 1yx0 s PHE 48 Cb -0.13 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 1yx0 s PHE 48 CO 0.03 -0.62 0.26 -1.58 -0.10 0.00 0.00 175.22 173.20 1yx0 s TRP 49 N 1.43 3.53 -0.13 0.36 0.51 -0.45 -1.60 118.94 122.59 1yx0 s TRP 49 Ca 0.05 0.61 0.02 0.00 -2.12 0.00 0.00 56.10 54.66 1yx0 s TRP 49 Cb -0.14 -2.22 0.01 0.00 -0.81 0.00 0.00 33.47 30.31 1yx0 s TRP 49 CO -0.05 0.42 -0.19 -1.12 -0.51 0.00 0.00 176.95 175.49 1yx0 s SER 50 N -0.11 2.86 -0.23 2.95 0.01 0.07 -0.45 113.70 118.81 1yx0 s SER 50 Ca 0.16 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 1yx0 s SER 50 Cb -0.13 -1.31 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 1yx0 s SER 50 CO 0.05 0.05 0.15 0.00 0.41 0.00 0.00 173.24 173.90 1yx0 s ALA 51 N 0.93 3.63 -0.20 1.44 0.00 0.14 -1.49 121.76 126.21 1yx0 s ALA 51 Ca -0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1yx0 s ALA 51 Cb -0.15 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1yx0 s ALA 51 CO -0.03 -0.09 -0.12 -1.58 0.00 0.00 0.00 175.76 173.94 1yx0 s TRP 52 N 0.86 2.88 -0.60 0.00 0.52 -0.22 0.63 118.94 123.01 1yx0 s TRP 52 Ca 0.08 -1.33 0.05 0.00 0.02 0.00 0.00 56.10 54.92 1yx0 s TRP 52 Cb -0.13 -2.01 0.19 0.00 -1.15 0.00 0.00 33.47 30.38 1yx0 s TRP 52 CO 0.03 -0.69 0.52 -1.91 0.02 0.00 0.00 176.95 174.91 1yx0 n GLU 53 N 4.70 1.51 0.00 4.98 2.13 -1.24 -3.40 120.64 129.33 1yx0 n GLU 53 Ca -0.19 -4.12 0.00 0.00 0.66 0.00 0.00 57.16 53.51 1yx0 n GLU 53 Cb 0.50 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 1.86 0.34 0.00 8.31 0.00 -1.26 -4.72 105.19 109.72 1yx0 n GLY 54 Ca 0.24 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 45.03 1yx0 n GLY 54 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yx0 n ASP 55 N 0.00 0.85 -4.53 1.61 5.68 -1.26 -4.98 116.55 113.91 1yx0 n ASP 55 Ca 0.00 -0.71 -0.26 0.00 -0.50 0.00 0.00 54.79 53.33 1yx0 n ASP 55 Cb 0.00 1.16 -0.10 0.00 -1.14 0.00 0.00 41.12 41.03 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1yx0 s GLU 56 N -2.69 1.79 0.20 0.11 -1.05 -1.26 -5.10 118.70 110.70 1yx0 s GLU 56 Ca 0.04 -1.92 -0.31 0.00 -0.15 0.00 0.00 54.97 52.63 1yx0 s GLU 56 Cb 0.12 -1.67 -0.10 0.00 -0.44 0.00 0.00 34.13 32.04 1yx0 s GLU 56 CO 0.68 0.15 1.48 -0.48 0.95 0.00 0.00 175.26 178.05 1yx0 s LEU 57 N -3.59 4.38 0.02 1.83 -0.00 -1.26 -3.60 118.68 116.45 1yx0 s LEU 57 Ca 0.32 2.60 -0.06 0.00 -0.00 0.00 0.00 54.13 56.99 1yx0 s LEU 57 Cb 0.02 -3.61 -0.29 0.00 -0.00 0.00 0.00 46.19 42.31 1yx0 s LEU 57 CO 0.16 -0.74 0.93 0.00 -0.00 0.00 0.00 176.35 176.70 1yx0 h ALA 58 N 5.96 0.15 0.00 1.48 0.00 -0.13 -3.46 119.26 123.27 1yx0 h ALA 58 Ca -0.44 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.45 1yx0 h ALA 58 Cb 1.21 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1yx0 h ALA 58 CO 0.84 1.02 0.00 0.41 0.00 0.00 0.00 179.25 181.52 1yx0 n GLY 59 N 1.66 -0.19 0.14 0.00 0.00 -0.37 -4.73 105.19 101.70 1yx0 n GLY 59 Ca -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.11 0.14 -0.23 0.00 0.00 0.41 -4.73 107.32 101.80 1yx0 s GLY 61 Ca 0.00 3.02 -0.03 0.00 0.00 0.00 0.00 44.72 47.71 1yx0 s GLY 61 CO 0.00 1.52 -0.05 0.00 0.00 0.00 0.00 173.10 174.57 1yx0 s ALA 62 N -0.47 2.77 -0.14 3.20 0.00 -1.25 -1.34 121.76 124.53 1yx0 s ALA 62 Ca 0.07 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1yx0 s ALA 62 Cb -0.03 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.44 1yx0 s ALA 62 CO -0.10 -0.52 -0.05 -1.17 0.00 0.00 0.00 175.76 173.92 1yx0 s LEU 63 N 1.44 1.36 -0.08 0.00 0.20 -1.16 -2.56 118.68 117.88 1yx0 s LEU 63 Ca 0.05 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.40 1yx0 s LEU 63 Cb -0.15 -0.84 0.01 0.00 -0.43 0.00 0.00 46.19 44.78 1yx0 s LEU 63 CO -0.04 -0.16 -0.16 -0.75 -0.29 0.00 0.00 176.35 174.95 1yx0 s LYS 64 N 1.69 2.14 0.20 1.98 2.20 -1.22 -3.86 119.74 122.88 1yx0 s LYS 64 Ca 0.03 -0.56 -0.32 0.00 -0.36 0.00 0.00 55.97 54.76 1yx0 s LYS 64 Cb -0.14 -1.72 -0.12 0.00 -1.51 0.00 0.00 37.83 34.34 1yx0 s LYS 64 CO -0.08 0.05 1.73 -1.83 -0.36 0.00 0.00 175.35 174.87 1yx0 s GLU 65 N 0.64 4.12 -0.08 4.03 1.03 -1.26 -3.89 118.70 123.29 1yx0 s GLU 65 Ca -0.14 2.62 -0.09 0.00 0.03 0.00 0.00 54.97 57.38 1yx0 s GLU 65 Cb -0.16 -3.10 -0.03 0.00 -0.80 0.00 0.00 34.13 30.04 1yx0 s GLU 65 CO 0.04 -0.76 -0.17 -0.11 -1.33 0.00 0.00 175.26 172.93 1yx0 n LEU 66 N 4.08 1.05 0.00 1.83 7.94 -1.11 -5.01 117.00 125.79 1yx0 n LEU 66 Ca 0.16 0.17 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 1yx0 n LEU 66 Cb 0.35 -0.57 -0.03 0.00 0.53 0.00 0.00 43.42 43.70 1yx0 n LEU 66 CO 0.64 -0.41 -0.09 0.47 -1.11 0.00 0.00 177.39 176.89 1yx0 n ASP 67 N -3.55 1.97 -0.16 1.96 10.43 -0.29 -4.98 116.55 121.93 1yx0 n ASP 67 Ca -0.07 -1.92 -0.07 0.00 2.57 0.00 0.00 54.79 55.31 1yx0 n ASP 67 Cb 0.25 0.26 0.09 0.00 1.84 0.00 0.00 41.12 43.57 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1yx0 h THR 68 N 1.18 1.26 -0.40 -3.53 1.35 -2.02 -3.24 112.91 107.50 1yx0 h THR 68 Ca -0.16 -1.10 -0.30 0.00 -0.55 0.00 0.00 66.41 64.30 1yx0 h THR 68 Cb 0.52 0.85 -0.35 0.00 -1.73 0.00 0.00 68.15 67.45 1yx0 h THR 68 CO 0.26 0.39 -0.92 -2.11 -0.25 0.00 0.00 175.52 172.89 1yx0 n ARG 69 N -4.19 2.04 -3.82 4.72 1.85 -1.26 -4.88 116.66 111.13 1yx0 n ARG 69 Ca 0.03 -3.45 -0.12 0.00 -1.00 0.00 0.00 57.85 53.31 1yx0 n ARG 69 Cb 0.33 -1.57 -0.11 0.00 -1.05 0.00 0.00 32.46 30.06 1yx0 n ARG 69 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1yx0 s HIS 70 N -3.03 -0.16 0.35 2.89 2.46 -1.22 -3.33 115.29 113.24 1yx0 s HIS 70 Ca 0.38 0.38 0.05 0.00 0.47 0.00 0.00 55.06 56.33 1yx0 s HIS 70 Cb 0.37 0.05 -0.02 0.00 -0.13 0.00 0.00 32.58 32.85 1yx0 s HIS 70 CO -0.04 -0.17 0.36 0.20 -2.47 0.00 0.00 174.74 172.63 1yx0 s GLY 71 N -0.32 2.11 -0.05 1.59 0.00 -1.26 -1.14 107.32 108.25 1yx0 s GLY 71 Ca -0.04 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 42.46 1yx0 s GLY 71 CO 0.01 -1.31 0.75 1.85 0.00 0.00 0.00 173.10 174.39 1yx0 s GLU 72 N -3.21 0.97 -0.00 2.90 2.12 -1.25 -2.21 118.70 118.02 1yx0 s GLU 72 Ca 0.37 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.92 1yx0 s GLU 72 Cb 0.01 0.46 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 1yx0 s GLU 72 CO 0.26 -0.32 -0.23 0.42 -0.54 0.00 0.00 175.26 174.86 1yx0 s ILE 73 N -1.48 1.80 -0.37 -3.70 1.09 -1.24 -3.38 121.20 113.93 1yx0 s ILE 73 Ca -0.07 -1.05 0.13 0.00 -1.10 0.00 0.00 60.65 58.56 1yx0 s ILE 73 Cb -0.00 -1.51 0.38 0.00 -1.06 0.00 0.00 42.46 40.27 1yx0 s ILE 73 CO 0.05 0.44 0.81 2.29 -0.10 0.00 0.00 174.94 178.43 1yx0 n LYS 74 N 2.33 1.16 0.00 2.79 0.00 -1.06 -3.89 118.16 119.49 1yx0 n LYS 74 Ca -0.16 -3.43 0.00 0.00 -0.00 0.00 0.00 58.31 54.72 1yx0 n LYS 74 Cb 0.52 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yx0 n SER 75 N 0.14 0.00 -3.16 -5.58 2.88 -1.26 -4.64 113.62 102.01 1yx0 n SER 75 Ca 0.21 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.70 1yx0 n SER 75 Cb 0.70 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.13 1yx0 n SER 75 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1yx0 s MET 76 N 0.00 0.84 0.06 -1.46 1.75 -1.26 -3.85 119.30 115.39 1yx0 s MET 76 Ca 0.00 -0.63 -0.00 0.00 -1.25 0.00 0.00 55.69 53.81 1yx0 s MET 76 Cb 0.00 -0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.47 1yx0 s MET 76 CO 0.00 -1.23 -0.04 1.03 -0.65 0.00 0.00 175.02 174.14 1yx0 s ARG 77 N 1.49 0.67 0.00 4.11 1.81 -1.26 -5.05 118.95 120.72 1yx0 s ARG 77 Ca 0.20 -1.25 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 1yx0 s ARG 77 Cb -0.05 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 1yx0 s ARG 77 CO -0.06 -0.09 0.00 0.25 -0.68 0.00 0.00 175.30 174.72 1yx0 n THR 78 N 0.07 0.00 0.00 0.02 -2.24 -1.26 -4.54 114.28 106.33 1yx0 n THR 78 Ca -0.13 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1yx0 n THR 78 Cb 0.61 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1yx0 n THR 78 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1yx0 n SER 79 N -1.53 0.00 0.19 3.42 2.88 -1.26 -4.86 113.62 112.47 1yx0 n SER 79 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yx0 n SER 79 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.45 -1.46 0.00 -1.26 -4.27 120.51 111.06 1yx0 n ALA 80 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1yx0 n ALA 80 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.30 -0.51 -3.20 0.00 3.41 -1.26 -5.08 113.62 103.68 1yx0 n SER 81 Ca 0.00 -1.36 -0.10 0.00 -0.26 0.00 0.00 58.87 57.16 1yx0 n SER 81 Cb 0.00 0.23 0.09 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.50 -2.08 -1.22 7.33 -0.00 -1.26 -4.89 115.22 112.61 1yx0 n HIS 82 Ca -0.07 -0.14 -0.33 0.00 -0.00 0.00 0.00 57.72 57.18 1yx0 n HIS 82 Cb 0.61 -0.64 0.11 0.00 -0.00 0.00 0.00 29.99 30.08 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1yx0 s LEU 83 N 0.00 3.19 0.08 2.41 2.34 -1.26 -5.01 118.68 120.42 1yx0 s LEU 83 Ca 0.21 2.33 0.01 0.00 0.06 0.00 0.00 54.13 56.74 1yx0 s LEU 83 Cb -0.04 -4.58 -0.04 0.00 -0.56 0.00 0.00 46.19 40.97 1yx0 s LEU 83 CO 0.18 -2.51 0.17 0.00 -1.06 0.00 0.00 176.35 173.13 1yx0 s ARG 84 N -4.11 3.25 -0.69 1.48 3.03 -1.26 -4.56 118.95 116.09 1yx0 s ARG 84 Ca 0.73 -0.54 -0.02 0.00 2.03 0.00 0.00 55.73 57.93 1yx0 s ARG 84 Cb -0.28 -2.93 -0.02 0.00 -1.03 0.00 0.00 34.95 30.70 1yx0 s ARG 84 CO 0.49 0.58 0.63 1.63 -1.13 0.00 0.00 175.30 177.51 1yx0 n LYS 85 N 0.25 -1.33 0.00 3.89 4.01 -1.26 -4.89 118.16 118.83 1yx0 n LYS 85 Ca -0.06 1.12 0.00 0.00 -0.51 0.00 0.00 58.31 58.86 1yx0 n LYS 85 Cb 0.52 -5.01 0.00 0.00 -0.51 0.00 0.00 35.03 30.02 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 -1.52 -2.19 0.45 0.72 0.00 -1.26 -4.85 105.19 96.54 1yx0 n GLY 86 Ca -0.02 0.70 -0.16 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.12 1.61 2.07 -1.85 1.43 116.25 119.39 1yx0 h VAL 87 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1yx0 h VAL 87 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1yx0 h VAL 87 CO 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.41 1yx0 h ALA 88 N -0.80 0.19 -0.91 1.67 0.00 -1.90 -2.86 119.26 114.66 1yx0 h ALA 88 Ca -0.03 -0.35 0.22 0.00 0.00 0.00 0.00 54.91 54.75 1yx0 h ALA 88 Cb 0.74 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1yx0 h ALA 88 CO -0.17 0.11 0.61 -0.22 0.00 0.00 0.00 179.25 179.58 1yx0 h LYS 89 N -0.07 0.29 -0.35 0.00 3.11 -1.85 0.95 116.57 118.66 1yx0 h LYS 89 Ca 0.01 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1yx0 h LYS 89 Cb 0.74 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1yx0 h LYS 89 CO 0.04 0.19 -0.01 1.96 -2.81 0.00 0.00 179.45 178.82 1yx0 h GLN 90 N 0.30 0.62 -0.02 1.90 1.08 0.22 -0.85 115.11 118.36 1yx0 h GLN 90 Ca 0.47 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1yx0 h GLN 90 Cb 1.34 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1yx0 h GLN 90 CO -0.14 0.75 -0.05 0.28 -0.95 0.00 0.00 178.83 178.71 1yx0 h VAL 91 N 0.43 1.45 -0.45 -0.54 2.07 -0.26 -2.38 116.25 116.57 1yx0 h VAL 91 Ca 0.10 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 66.30 1yx0 h VAL 91 Cb 0.48 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 32.49 1yx0 h VAL 91 CO 0.02 0.38 -0.25 0.25 0.02 0.00 0.00 177.57 177.99 1yx0 h LEU 92 N -0.47 -0.85 -0.66 2.57 6.46 0.73 1.32 115.31 124.41 1yx0 h LEU 92 Ca 0.00 0.18 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1yx0 h LEU 92 Cb 0.64 0.44 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 1yx0 h LEU 92 CO 0.01 -0.27 0.34 -0.61 -0.62 0.00 0.00 178.44 177.29 1yx0 h GLN 93 N -0.16 0.59 -0.62 1.25 -0.00 -1.18 0.18 115.11 115.18 1yx0 h GLN 93 Ca 0.21 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.75 1yx0 h GLN 93 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.81 1yx0 h GLN 93 CO -0.55 0.39 0.11 1.25 0.00 0.00 0.00 178.83 180.03 1yx0 h HIS 94 N 0.61 1.09 -0.41 3.99 2.76 -0.22 0.35 115.15 123.33 1yx0 h HIS 94 Ca 0.31 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1yx0 h HIS 94 Cb 0.26 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 1yx0 h HIS 94 CO -0.10 0.93 0.25 0.82 -1.30 0.00 0.00 177.93 178.53 1yx0 h ILE 95 N 0.94 1.06 -0.41 6.26 5.03 0.29 0.58 117.51 131.27 1yx0 h ILE 95 Ca 0.19 -0.17 -0.12 0.00 -0.12 0.00 0.00 64.86 64.63 1yx0 h ILE 95 Cb 0.42 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 34.71 1yx0 h ILE 95 CO 0.01 0.09 -0.24 0.40 -0.68 0.00 0.00 178.15 177.73 1yx0 h ILE 96 N 0.51 1.27 -0.68 -0.67 2.04 -0.39 -2.75 117.51 116.84 1yx0 h ILE 96 Ca 0.16 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1yx0 h ILE 96 Cb -0.02 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1yx0 h ILE 96 CO -0.06 0.46 0.24 -0.08 0.00 0.00 0.00 178.15 178.71 1yx0 h GLU 97 N 0.72 1.03 -0.49 2.37 4.22 0.46 0.11 114.58 122.99 1yx0 h GLU 97 Ca 0.09 -0.21 0.05 0.00 0.08 0.00 0.00 59.36 59.38 1yx0 h GLU 97 Cb 0.77 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1yx0 h GLU 97 CO 0.06 0.88 0.22 0.93 -2.18 0.00 0.00 179.01 178.92 1yx0 h GLU 98 N 0.97 0.43 -0.03 1.92 3.07 0.36 0.35 114.58 121.64 1yx0 h GLU 98 Ca 0.22 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 1yx0 h GLU 98 Cb 0.25 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1yx0 h GLU 98 CO -0.01 0.28 -0.53 0.00 -1.40 0.00 0.00 179.01 177.35 1yx0 h ALA 99 N 1.28 1.06 -0.13 3.43 0.00 -1.20 -3.06 119.26 120.63 1yx0 h ALA 99 Ca 0.22 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1yx0 h ALA 99 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yx0 h ALA 99 CO -0.18 0.67 0.08 0.93 0.00 0.00 0.00 179.25 180.75 1yx0 h GLU 100 N 0.07 0.18 -0.31 0.00 4.39 0.76 1.16 114.58 120.83 1yx0 h GLU 100 Ca -0.00 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1yx0 h GLU 100 Cb 0.96 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.50 1yx0 h GLU 100 CO 0.07 0.16 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.65 1yx0 h LYS 101 N 0.14 -0.18 -0.37 2.33 3.64 -0.90 -1.51 116.57 119.71 1yx0 h LYS 101 Ca 0.05 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1yx0 h LYS 101 Cb 0.03 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1yx0 h LYS 101 CO -0.01 -0.12 -0.10 0.00 -2.27 0.00 0.00 179.45 176.94 1yx0 h ARG 102 N -0.19 0.73 -0.74 1.90 2.47 -1.46 -3.49 114.38 113.61 1yx0 h ARG 102 Ca 0.16 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1yx0 h ARG 102 Cb 0.44 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1yx0 h ARG 102 CO -0.42 0.89 0.00 0.41 0.56 0.00 0.00 179.97 181.41 1yx0 n GLY 103 N -0.17 0.46 2.03 0.04 0.00 0.40 -5.11 105.19 102.84 1yx0 n GLY 103 Ca -0.02 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1yx0 n GLY 103 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yx0 n TYR 104 N -0.19 -3.27 -0.03 1.61 4.02 -0.93 -4.92 117.16 113.45 1yx0 n TYR 104 Ca 0.00 -0.88 -0.03 0.00 -0.01 0.00 0.00 57.90 56.98 1yx0 n TYR 104 Cb 0.07 -0.40 -0.04 0.00 -0.02 0.00 0.00 39.34 38.94 1yx0 n TYR 104 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1yx0 n GLU 105 N -2.04 2.55 -3.51 -0.72 4.07 -1.21 -4.76 120.64 115.03 1yx0 n GLU 105 Ca 0.09 0.01 -0.14 0.00 -0.06 0.00 0.00 57.16 57.05 1yx0 n GLU 105 Cb 0.31 -1.15 -0.04 0.00 -0.06 0.00 0.00 31.44 30.49 1yx0 n GLU 105 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1yx0 s ARG 106 N -2.14 0.97 -0.07 5.31 3.00 -1.25 -1.29 118.95 123.48 1yx0 s ARG 106 Ca -0.04 -0.00 0.05 0.00 0.00 0.00 0.00 55.73 55.74 1yx0 s ARG 106 Cb 0.02 0.45 -0.01 0.00 0.00 0.00 0.00 34.95 35.42 1yx0 s ARG 106 CO 0.23 -0.35 -0.23 -0.51 0.00 0.00 0.00 175.30 174.43 1yx0 s LEU 107 N -1.70 2.04 0.40 2.53 1.43 -1.09 -4.07 118.68 118.23 1yx0 s LEU 107 Ca -0.04 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1yx0 s LEU 107 Cb -0.00 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1yx0 s LEU 107 CO 0.00 0.20 0.52 -0.55 0.23 0.00 0.00 176.35 176.76 1yx0 s SER 108 N 0.02 5.64 -0.04 2.29 0.15 -0.94 -0.77 113.70 120.06 1yx0 s SER 108 Ca -0.08 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 55.87 1yx0 s SER 108 Cb -0.15 -0.76 0.10 0.00 -1.71 0.00 0.00 66.02 63.50 1yx0 s SER 108 CO 0.05 -0.68 0.82 -1.48 1.20 0.00 0.00 173.24 173.15 1yx0 s LEU 109 N -4.28 -0.47 -0.46 3.45 2.34 -1.26 -3.66 118.68 114.34 1yx0 s LEU 109 Ca 0.52 0.30 -0.11 0.00 0.06 0.00 0.00 54.13 54.90 1yx0 s LEU 109 Cb -0.09 2.20 0.09 0.00 -0.56 0.00 0.00 46.19 47.83 1yx0 s LEU 109 CO 0.32 -0.59 0.33 -1.83 -1.06 0.00 0.00 176.35 173.52 1yx0 s GLU 110 N -2.14 2.68 0.00 1.48 -1.05 -1.25 -4.60 118.70 113.82 1yx0 s GLU 110 Ca -0.02 -1.55 0.00 0.00 -0.15 0.00 0.00 54.97 53.26 1yx0 s GLU 110 Cb -0.01 -3.94 0.00 0.00 -0.44 0.00 0.00 34.13 29.74 1yx0 s GLU 110 CO -0.02 -1.07 0.00 0.25 0.95 0.00 0.00 175.26 175.37 1yx0 n THR 111 N 5.01 0.00 0.00 1.83 -2.24 -1.26 -5.01 114.28 112.61 1yx0 n THR 111 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1yx0 n THR 111 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1yx0 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx0 n GLY 112 N 4.13 1.91 0.88 3.38 0.00 -1.17 -4.53 105.19 109.79 1yx0 n GLY 112 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yx0 n SER 113 N 0.11 -0.75 -4.48 1.61 2.88 -1.26 -2.40 113.62 109.33 1yx0 n SER 113 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1yx0 n SER 113 Cb 0.00 -0.25 0.19 0.00 -0.75 0.00 0.00 64.21 63.40 1yx0 n SER 113 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1yx0 n MET 114 N -0.63 -1.23 -0.06 -1.46 0.00 -1.26 -4.70 117.12 107.77 1yx0 n MET 114 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 57.70 57.25 1yx0 n MET 114 Cb 0.25 -2.08 -0.06 0.00 0.00 0.00 0.00 33.22 31.33 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 -2.10 0.25 0.00 -5.12 0.00 -1.98 0.80 119.26 111.11 1yx0 h ALA 115 Ca -0.51 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1yx0 h ALA 115 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yx0 h ALA 115 CO 0.41 0.13 0.00 1.03 0.00 0.00 0.00 179.25 180.82 1yx0 h SER 116 N 0.06 0.00 -0.42 0.00 0.87 -2.04 -3.10 113.55 108.92 1yx0 h SER 116 Ca 0.03 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.32 1yx0 h SER 116 Cb 0.66 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.45 1yx0 h SER 116 CO 0.04 0.00 -0.29 0.33 -0.53 0.00 0.00 176.83 176.38 1yx0 n PHE 117 N -2.61 1.40 -0.02 2.24 -0.00 -1.07 -4.70 117.46 112.70 1yx0 n PHE 117 Ca 0.04 -1.84 -0.12 0.00 -0.00 0.00 0.00 57.45 55.52 1yx0 n PHE 117 Cb 0.41 -0.48 -0.10 0.00 -0.00 0.00 0.00 39.48 39.32 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1yx0 h GLU 118 N 1.36 -0.06 0.00 -4.13 5.08 -0.76 -3.16 114.58 112.91 1yx0 h GLU 118 Ca 0.24 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1yx0 h GLU 118 Cb 1.42 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1yx0 h GLU 118 CO 0.48 0.57 -0.57 -1.00 -1.00 0.00 0.00 179.01 177.49 1yx0 h PRO 119 N -0.82 0.00 -0.26 2.33 0.13 -1.84 -3.10 132.00 128.44 1yx0 h PRO 119 Ca -0.01 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1yx0 h PRO 119 Cb 0.66 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 1yx0 h PRO 119 CO 0.01 0.57 -0.03 0.00 -0.23 0.00 0.00 178.00 178.33 1yx0 h ALA 120 N 1.43 0.21 -0.71 -0.56 0.00 -1.85 0.36 119.26 118.14 1yx0 h ALA 120 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1yx0 h ALA 120 Cb 1.19 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1yx0 h ALA 120 CO 0.07 -0.44 0.23 -0.09 0.00 0.00 0.00 179.25 179.03 1yx0 h ARG 121 N 0.05 1.10 0.00 0.00 1.12 -1.55 -1.11 114.38 113.99 1yx0 h ARG 121 Ca 0.13 -0.23 -0.03 0.00 -1.11 0.00 0.00 59.98 58.74 1yx0 h ARG 121 Cb 0.18 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 29.97 1yx0 h ARG 121 CO -0.23 0.93 -0.14 0.87 -3.11 0.00 0.00 179.97 178.29 1yx0 h LYS 122 N 1.06 0.00 0.01 0.20 1.57 -1.19 -1.33 116.57 116.89 1yx0 h LYS 122 Ca 0.23 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.79 1yx0 h LYS 122 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1yx0 h LYS 122 CO -0.01 0.14 -0.94 1.25 -0.57 0.00 0.00 179.45 179.31 1yx0 h LEU 123 N 0.00 0.44 0.14 2.94 5.85 0.89 -2.65 115.31 122.92 1yx0 h LEU 123 Ca -0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1yx0 h LEU 123 Cb 0.37 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1yx0 h LEU 123 CO 0.02 1.17 -0.07 1.88 -0.34 0.00 0.00 178.44 181.10 1yx0 h TYR 124 N 0.18 -0.18 -0.03 1.25 -1.99 -0.46 -2.34 116.97 113.40 1yx0 h TYR 124 Ca -0.07 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.66 1yx0 h TYR 124 Cb 1.59 0.06 -0.00 0.00 2.00 0.00 0.00 36.73 40.37 1yx0 h TYR 124 CO 0.05 0.18 0.03 1.05 -0.00 0.00 0.00 178.16 179.47 1yx0 h GLU 125 N -0.57 0.00 0.00 4.88 -0.00 -1.41 0.44 114.58 117.91 1yx0 h GLU 125 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1yx0 h GLU 125 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 1yx0 h GLU 125 CO 0.03 0.00 0.00 0.45 -0.00 0.00 0.00 179.01 179.49 1yx0 n SER 126 N -4.18 0.14 0.06 3.06 2.88 -1.00 -2.86 113.62 111.72 1yx0 n SER 126 Ca -0.02 0.51 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 1yx0 n SER 126 Cb 0.12 -0.55 0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1yx0 n SER 126 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1yx0 n PHE 127 N -1.63 0.56 0.00 0.66 7.35 0.15 -4.93 117.46 119.61 1yx0 n PHE 127 Ca 0.07 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1yx0 n PHE 127 Cb 0.35 -0.68 0.00 0.00 0.35 0.00 0.00 39.48 39.51 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 1.28 1.30 3.69 7.13 0.00 -1.02 -5.10 105.19 112.47 1yx0 n GLY 128 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 2.21 -4.27 1.61 3.01 -1.00 -4.81 117.46 114.21 1yx0 n PHE 129 Ca 0.00 0.56 -0.22 0.00 1.01 0.00 0.00 57.45 58.80 1yx0 n PHE 129 Cb 0.00 -2.40 -0.12 0.00 -0.01 0.00 0.00 39.48 36.94 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1yx0 s GLN 130 N -1.86 1.02 0.33 -1.08 -1.52 -0.83 -4.13 119.66 111.59 1yx0 s GLN 130 Ca 0.56 -1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 52.62 1yx0 s GLN 130 Cb -0.58 -1.17 -0.12 0.00 -0.22 0.00 0.00 33.01 30.92 1yx0 s GLN 130 CO 0.62 0.27 1.50 0.66 -0.25 0.00 0.00 175.29 178.09 1yx0 n TYR 131 N 1.24 2.81 -3.83 0.91 4.02 -1.26 0.38 117.16 121.44 1yx0 n TYR 131 Ca -0.20 0.39 -0.07 0.00 -0.01 0.00 0.00 57.90 58.01 1yx0 n TYR 131 Cb 0.54 -2.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.32 1yx0 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yx0 n GLU 133 N -0.52 0.25 -1.97 0.00 4.71 -1.26 -4.04 120.64 117.80 1yx0 n GLU 133 Ca -0.06 0.09 -0.32 0.00 -0.01 0.00 0.00 57.16 56.86 1yx0 n GLU 133 Cb 0.60 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.55 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 -0.23 3.30 0.00 3.49 0.04 -1.26 -4.74 135.00 135.60 1yx0 s PRO 134 Ca 0.82 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1yx0 s PRO 134 Cb -1.11 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1yx0 s PRO 134 CO 0.55 -0.82 0.00 1.19 0.04 0.00 0.00 177.00 177.96 1yx0 n PHE 135 N -2.23 0.00 -0.08 0.56 3.01 -1.26 -4.12 117.46 113.33 1yx0 n PHE 135 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.45 1yx0 n PHE 135 Cb 0.53 0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 40.07 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yx0 h ALA 136 N 0.00 -0.65 0.00 4.37 0.00 -1.94 -3.02 119.26 118.02 1yx0 h ALA 136 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yx0 h ALA 136 Cb 0.55 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1yx0 h ALA 136 CO 0.00 -0.82 -1.96 -3.47 0.00 0.00 0.00 179.25 173.00 1yx0 n ASP 137 N -4.52 0.05 -1.38 0.00 -0.08 -1.26 -5.09 116.55 104.26 1yx0 n ASP 137 Ca -0.03 0.02 0.14 0.00 -1.51 0.00 0.00 54.79 53.41 1yx0 n ASP 137 Cb 0.24 1.89 -0.08 0.00 2.34 0.00 0.00 41.12 45.50 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1yx0 n TYR 138 N -2.30 -3.53 -1.54 -0.67 4.01 -1.14 -4.99 117.16 106.99 1yx0 n TYR 138 Ca -0.05 1.95 0.04 0.00 -0.16 0.00 0.00 57.90 59.68 1yx0 n TYR 138 Cb 0.59 -3.18 -0.02 0.00 -0.31 0.00 0.00 39.34 36.42 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx0 n GLY 139 N -4.03 -3.94 3.07 2.72 0.00 -1.26 -4.88 105.19 96.88 1yx0 n GLY 139 Ca -0.08 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 1yx0 n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yx0 n GLU 140 N -2.96 -1.43 -3.51 1.61 -0.58 -1.26 -4.86 120.64 107.65 1yx0 n GLU 140 Ca -0.02 -0.42 -0.16 0.00 -0.42 0.00 0.00 57.16 56.15 1yx0 n GLU 140 Cb 0.52 -1.41 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.65 -0.59 0.22 1.62 1.01 -1.26 -5.02 116.67 110.98 1yx0 s ASP 141 Ca 0.39 0.46 0.25 0.00 0.71 0.00 0.00 52.55 54.36 1yx0 s ASP 141 Cb -0.04 0.54 0.90 0.00 1.01 0.00 0.00 42.92 45.33 1yx0 s ASP 141 CO 0.47 -0.70 1.74 -0.81 0.21 0.00 0.00 175.17 176.08 1yx0 n PRO 142 N 0.55 0.21 -2.92 8.23 -0.04 -1.26 -4.46 135.00 135.32 1yx0 n PRO 142 Ca -0.19 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1yx0 n PRO 142 Cb 0.59 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1yx0 n PRO 142 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1yx0 s ASN 143 N -4.30 -0.81 -0.29 3.54 0.01 -1.26 -5.15 114.94 106.68 1yx0 s ASN 143 Ca 0.08 -0.47 -0.22 0.00 -0.71 0.00 0.00 52.86 51.53 1yx0 s ASN 143 Cb 0.11 1.04 0.16 0.00 0.41 0.00 0.00 41.25 42.98 1yx0 s ASN 143 CO 0.49 -0.08 1.19 -0.44 -1.51 0.00 0.00 177.10 176.75 1yx0 s SER 144 N 1.81 -0.27 0.35 -1.22 0.01 -1.26 -4.96 113.70 108.15 1yx0 s SER 144 Ca 0.16 0.50 0.07 0.00 1.31 0.00 0.00 55.95 58.00 1yx0 s SER 144 Cb 0.01 0.68 -0.02 0.00 0.21 0.00 0.00 66.02 66.90 1yx0 s SER 144 CO -0.11 -0.08 0.35 0.68 0.41 0.00 0.00 173.24 174.48 1yx0 s VAL 145 N 0.44 3.51 -0.21 3.43 -7.23 -1.01 -4.81 120.40 114.52 1yx0 s VAL 145 Ca 0.01 -1.29 -0.28 0.00 -1.81 0.00 0.00 61.98 58.62 1yx0 s VAL 145 Cb -0.04 -3.20 0.11 0.00 0.56 0.00 0.00 36.38 33.81 1yx0 s VAL 145 CO -0.11 -0.14 0.95 0.72 -0.31 0.00 0.00 175.10 176.21 1yx0 s PHE 146 N -2.30 -0.48 0.10 2.82 -0.71 -1.26 -3.03 117.98 113.11 1yx0 s PHE 146 Ca 0.43 1.01 -0.21 0.00 -1.04 0.00 0.00 56.93 57.11 1yx0 s PHE 146 Cb -0.06 0.40 0.05 0.00 -1.21 0.00 0.00 43.02 42.20 1yx0 s PHE 146 CO 0.28 -0.33 0.52 0.00 -1.34 0.00 0.00 175.22 174.35 1yx0 s MET 147 N -0.45 1.13 0.18 1.99 0.23 -1.26 -2.37 119.30 118.75 1yx0 s MET 147 Ca -0.01 -0.40 0.08 0.00 -1.03 0.00 0.00 55.69 54.33 1yx0 s MET 147 Cb -0.03 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1yx0 s MET 147 CO -0.01 -0.44 -0.17 -0.08 -2.03 0.00 0.00 175.02 172.29 1yx0 s THR 148 N -3.15 1.77 0.03 3.16 -1.32 0.16 -4.47 115.64 111.83 1yx0 s THR 148 Ca -0.01 -2.02 -0.08 0.00 -1.21 0.00 0.00 61.69 58.37 1yx0 s THR 148 Cb -0.00 -1.90 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 1yx0 s THR 148 CO -0.07 -0.43 0.31 -0.75 -2.21 0.00 0.00 174.62 171.47 1yx0 s LYS 149 N -3.11 3.64 -0.39 7.08 2.47 0.05 -1.97 119.74 127.52 1yx0 s LYS 149 Ca 0.18 0.01 -0.08 0.00 -1.56 0.00 0.00 55.97 54.52 1yx0 s LYS 149 Cb -0.04 -3.06 0.07 0.00 -1.46 0.00 0.00 37.83 33.34 1yx0 s LYS 149 CO 0.07 0.62 0.20 0.21 0.16 0.00 0.00 175.35 176.61 1yx0 s LYS 150 N -1.79 2.56 0.00 4.03 2.20 -1.26 -2.66 119.74 122.81 1yx0 s LYS 150 Ca 0.29 -1.38 0.26 0.00 -0.36 0.00 0.00 55.97 54.78 1yx0 s LYS 150 Cb -0.13 -3.65 0.67 0.00 -1.51 0.00 0.00 37.83 33.21 1yx0 s LYS 150 CO 0.17 -0.85 1.53 1.28 -0.36 0.00 0.00 175.35 177.11