#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 -1.23 -0.05 2.03 0.09 -1.26 -5.06 115.29 109.82 1yx0 s HIS 2 Ca 0.00 1.22 0.06 0.00 -0.00 0.00 0.00 55.06 56.34 1yx0 s HIS 2 Cb 0.00 0.40 -0.02 0.00 -0.00 0.00 0.00 32.58 32.96 1yx0 s HIS 2 CO 0.00 -0.68 -0.24 0.42 -0.00 0.00 0.00 174.74 174.24 1yx0 s ILE 3 N 2.89 2.17 0.31 0.60 -1.09 -1.26 -1.25 121.20 123.56 1yx0 s ILE 3 Ca 0.13 -1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1yx0 s ILE 3 Cb -0.12 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.96 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 -0.35 1.71 -0.13 2.79 1.02 -1.14 -4.96 119.74 118.69 1yx0 s LYS 4 Ca 0.02 -1.75 -0.03 0.00 0.02 0.00 0.00 55.97 54.23 1yx0 s LYS 4 Cb -0.12 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1yx0 s LYS 4 CO 0.02 -0.67 -0.03 0.42 -0.92 0.00 0.00 175.35 174.17 1yx0 s ILE 5 N -3.45 4.03 -0.15 2.17 1.01 -1.26 -2.12 121.20 121.44 1yx0 s ILE 5 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1yx0 s ILE 5 Cb 0.02 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 1yx0 s ILE 5 CO 0.20 0.53 -0.15 -0.62 0.00 0.00 0.00 174.94 174.90 1yx0 s ASP 6 N -0.07 3.73 -0.29 3.58 2.15 0.42 -4.86 116.67 121.33 1yx0 s ASP 6 Ca 0.02 -0.44 0.02 0.00 0.43 0.00 0.00 52.55 52.59 1yx0 s ASP 6 Cb -0.13 -1.57 0.08 0.00 -0.30 0.00 0.00 42.92 41.00 1yx0 s ASP 6 CO 0.02 0.11 -0.01 -1.81 -0.17 0.00 0.00 175.17 173.31 1yx0 s ASP 7 N 0.69 4.32 0.00 -0.34 1.11 -1.26 -3.54 116.67 117.65 1yx0 s ASP 7 Ca -0.07 -1.62 0.00 0.00 0.18 0.00 0.00 52.55 51.04 1yx0 s ASP 7 Cb -0.16 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 42.46 1yx0 s ASP 7 CO 0.02 -0.30 0.00 0.18 1.18 0.00 0.00 175.17 176.25 1yx0 n LEU 8 N 4.50 0.00 -4.35 1.23 4.32 -1.26 -4.83 117.00 116.60 1yx0 n LEU 8 Ca -0.06 0.00 -0.50 0.00 -0.02 0.00 0.00 56.01 55.44 1yx0 n LEU 8 Cb 0.43 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.19 1yx0 n LEU 8 CO 0.19 0.00 0.11 0.41 -1.22 0.00 0.00 177.39 176.88 1yx0 n THR 9 N 0.00 1.55 0.00 -5.08 -1.04 -1.26 -4.67 114.28 103.78 1yx0 n THR 9 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 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 1.86 1.68 0.33 3.41 0.00 -1.26 -4.83 105.19 106.38 1yx0 n GLY 10 Ca 0.18 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 -0.11 1.61 3.08 -1.98 1.21 114.38 117.42 1yx0 h ARG 11 Ca 0.00 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1yx0 h ARG 11 Cb 0.00 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1yx0 h ARG 11 CO 0.00 -0.50 0.02 1.96 -1.07 0.00 0.00 179.97 180.38 1yx0 h GLN 12 N -0.83 0.15 0.10 0.04 1.08 -1.97 1.22 115.11 114.90 1yx0 h GLN 12 Ca -0.08 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1yx0 h GLN 12 Cb 0.62 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1yx0 h GLN 12 CO 0.13 0.15 -0.05 0.28 -0.95 0.00 0.00 178.83 178.39 1yx0 h VAL 13 N 0.15 1.08 -0.65 -0.54 2.07 -1.81 -1.96 116.25 114.60 1yx0 h VAL 13 Ca 0.04 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1yx0 h VAL 13 Cb 0.07 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1yx0 h VAL 13 CO -0.00 0.29 0.26 0.58 0.02 0.00 0.00 177.57 178.72 1yx0 h VAL 14 N -0.80 1.24 -0.98 2.57 2.07 0.19 -2.18 116.25 118.35 1yx0 h VAL 14 Ca -0.01 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1yx0 h VAL 14 Cb 0.57 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 1yx0 h VAL 14 CO 0.02 0.29 0.64 0.28 0.02 0.00 0.00 177.57 178.82 1yx0 h SER 15 N 0.91 1.00 -0.58 0.57 0.02 0.14 0.23 113.55 115.85 1yx0 h SER 15 Ca 0.22 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1yx0 h SER 15 Cb 0.20 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1yx0 h SER 15 CO -0.02 0.63 0.35 -0.07 -1.14 0.00 0.00 176.83 176.58 1yx0 h LEU 16 N 1.13 0.71 -0.33 5.07 4.07 -0.72 0.11 115.31 125.35 1yx0 h LEU 16 Ca 0.43 -0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.27 1yx0 h LEU 16 Cb 0.20 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1yx0 h LEU 16 CO -0.17 0.55 -0.35 0.58 -1.08 0.00 0.00 178.44 177.97 1yx0 h VAL 17 N 0.81 0.66 -0.01 1.22 2.07 -0.55 -2.70 116.25 117.75 1yx0 h VAL 17 Ca 0.21 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1yx0 h VAL 17 Cb -0.02 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1yx0 h VAL 17 CO -0.04 0.34 0.00 0.59 0.02 0.00 0.00 177.57 178.49 1yx0 n ASN 18 N -3.26 1.19 -2.24 0.57 3.02 0.56 -4.97 115.26 110.13 1yx0 n ASN 18 Ca 0.02 -1.40 -0.02 0.00 -0.03 0.00 0.00 54.58 53.15 1yx0 n ASN 18 Cb 0.62 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.07 -1.74 -0.08 3.52 1.02 0.18 -4.81 120.64 118.66 1yx0 n GLU 19 Ca 0.20 1.66 -0.23 0.00 -0.02 0.00 0.00 57.16 58.77 1yx0 n GLU 19 Cb 0.30 -3.71 -0.12 0.00 -0.02 0.00 0.00 31.44 27.89 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1yx0 n HIS 20 N 0.05 0.77 0.31 -0.32 -0.00 -1.02 -4.42 115.22 110.58 1yx0 n HIS 20 Ca 0.03 0.24 -0.18 0.00 0.46 0.00 0.00 57.72 58.28 1yx0 n HIS 20 Cb 0.12 -1.09 -0.09 0.00 -0.12 0.00 0.00 29.99 28.81 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 -0.50 -1.17-10.23 0.27 3.38 -1.92 -3.43 115.31 101.72 1yx0 h LEU 21 Ca -0.47 0.09 -0.49 0.00 0.09 0.00 0.00 57.88 57.09 1yx0 h LEU 21 Cb 1.69 0.37 0.02 0.00 0.09 0.00 0.00 40.66 42.83 1yx0 h LEU 21 CO -0.13 -0.62 0.01 -2.28 0.09 0.00 0.00 178.44 175.51 1yx0 s HIS 22 N -5.95 3.52 0.76 1.13 5.04 -1.26 -5.05 115.29 113.49 1yx0 s HIS 22 Ca -0.18 0.75 -0.15 0.00 -1.54 0.00 0.00 55.06 53.94 1yx0 s HIS 22 Cb 0.05 -2.22 0.06 0.00 0.04 0.00 0.00 32.58 30.50 1yx0 s HIS 22 CO 0.62 -0.10 1.23 -1.12 -2.34 0.00 0.00 174.74 173.03 1yx0 s SER 23 N -3.75 3.89 -0.30 9.88 0.01 -1.26 -4.81 113.70 117.36 1yx0 s SER 23 Ca 0.46 2.43 -0.36 0.00 1.31 0.00 0.00 55.95 59.79 1yx0 s SER 23 Cb -0.10 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.70 1yx0 s SER 23 CO 0.38 -2.47 1.39 -0.32 0.41 0.00 0.00 173.24 172.63 1yx0 s MET 24 N -3.94 0.01 -0.20 12.44 0.00 -1.26 -4.97 119.30 121.39 1yx0 s MET 24 Ca 0.76 -0.00 -0.28 0.00 0.00 0.00 0.00 55.69 56.16 1yx0 s MET 24 Cb -0.31 0.01 0.12 0.00 0.00 0.00 0.00 34.83 34.65 1yx0 s MET 24 CO 0.47 -0.01 0.97 -0.08 0.00 0.00 0.00 175.02 176.38 1yx0 s THR 25 N -1.71 0.00 0.36 10.11 -1.32 -1.26 -5.10 115.64 116.72 1yx0 s THR 25 Ca 0.11 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.63 1yx0 s THR 25 Cb -0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 1yx0 s THR 25 CO -0.04 0.00 0.06 -1.48 -2.21 0.00 0.00 174.62 170.94 1yx0 s LEU 26 N -0.57 2.28 0.00 9.08 2.34 -1.26 -5.16 118.68 125.40 1yx0 s LEU 26 Ca -0.01 -1.43 0.01 0.00 0.06 0.00 0.00 54.13 52.76 1yx0 s LEU 26 Cb -0.02 -0.46 -0.00 0.00 -0.56 0.00 0.00 46.19 45.14 1yx0 s LEU 26 CO -0.01 -0.64 -0.02 -0.32 -1.06 0.00 0.00 176.35 174.30 1yx0 s MET 27 N -3.84 0.20 0.21 1.48 1.75 -1.26 -5.13 119.30 112.72 1yx0 s MET 27 Ca 0.33 -0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.30 1yx0 s MET 27 Cb 0.08 -0.14 -0.09 0.00 2.84 0.00 0.00 34.83 37.51 1yx0 s MET 27 CO 0.15 0.03 1.40 -1.12 -0.65 0.00 0.00 175.02 174.84 1yx0 s SER 28 N -0.28 6.75 0.86 1.11 0.01 -1.26 -5.00 113.70 115.88 1yx0 s SER 28 Ca -0.02 2.54 -0.12 0.00 1.31 0.00 0.00 55.95 59.66 1yx0 s SER 28 Cb -0.02 -2.61 0.11 0.00 0.21 0.00 0.00 66.02 63.70 1yx0 s SER 28 CO -0.00 -0.65 1.12 -2.16 0.41 0.00 0.00 173.24 171.96 1yx0 s PRO 29 N 0.02 1.57 0.00 12.44 0.04 -1.26 -5.07 135.00 142.73 1yx0 s PRO 29 Ca 0.60 0.45 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1yx0 s PRO 29 Cb -0.40 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1yx0 s PRO 29 CO 0.39 -1.94 0.00 -0.35 0.04 0.00 0.00 177.00 175.14 1yx0 n PRO 30 N -3.62 0.26 -2.83 0.56 -0.04 -1.25 -4.93 135.00 123.16 1yx0 n PRO 30 Ca 0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1yx0 n PRO 30 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 1yx0 n PRO 30 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1yx0 s GLU 31 N -1.48 3.53 0.38 0.54 2.12 -1.26 -4.86 118.70 117.68 1yx0 s GLU 31 Ca 0.00 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.85 1yx0 s GLU 31 Cb 0.00 -4.91 0.00 0.00 0.26 0.00 0.00 34.13 29.48 1yx0 s GLU 31 CO 0.00 -1.88 0.00 0.43 -0.54 0.00 0.00 175.26 173.27 1yx0 n SER 32 N 7.24 -8.02 0.00 -1.70 7.64 -1.26 -4.79 113.62 112.73 1yx0 n SER 32 Ca 0.22 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1yx0 n SER 32 Cb 0.49 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1yx0 n ILE 33 N -4.05 0.00 0.00 0.44 5.41 -1.26 -4.83 119.36 115.07 1yx0 n ILE 33 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1yx0 n ILE 33 Cb 0.66 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1yx0 n HIS 34 N -2.41 0.00 -1.74 1.39 -0.00 -1.26 -5.07 115.22 106.13 1yx0 n HIS 34 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1yx0 n HIS 34 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1yx0 n ALA 35 N 0.00 0.00 -2.00 1.57 0.00 -1.26 -3.84 120.51 114.98 1yx0 n ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yx0 n ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -2.53 0.00 7.94 -1.26 -5.01 117.00 116.13 1yx0 n LEU 36 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 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 0.54 0.61 -1.11 0.00 0.00 177.39 177.43 1yx0 n GLY 37 N 0.00 0.67 0.24 -3.96 0.00 -1.26 -4.99 105.19 95.90 1yx0 n GLY 37 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 1.30 0.66 -0.04 0.99 4.07 -1.98 0.95 115.31 121.25 1yx0 h LEU 38 Ca -0.37 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1yx0 h LEU 38 Cb 1.25 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1yx0 h LEU 38 CO -0.13 0.48 0.00 1.21 -1.08 0.00 0.00 178.44 178.92 1yx0 n GLU 39 N -4.69 1.03 0.00 1.13 2.13 -1.26 -2.14 120.64 116.84 1yx0 n GLU 39 Ca 0.04 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1yx0 n GLU 39 Cb 0.03 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 -0.84 0.00 -0.02 5.31 4.81 0.32 -3.85 118.16 123.88 1yx0 n LYS 40 Ca 0.19 0.18 -0.15 0.00 -0.87 0.00 0.00 58.31 57.65 1yx0 n LYS 40 Cb 0.09 -0.75 -0.11 0.00 0.02 0.00 0.00 35.03 34.28 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 0.24 -6.06 3.14 4.07 -1.68 -3.32 115.31 111.69 1yx0 h LEU 41 Ca 0.00 -0.78 -0.75 0.00 0.08 0.00 0.00 57.88 56.43 1yx0 h LEU 41 Cb 0.00 -0.07 -0.14 0.00 1.08 0.00 0.00 40.66 41.53 1yx0 h LEU 41 CO 0.00 0.99 2.22 -1.14 -1.08 0.00 0.00 178.44 179.43 1yx0 n ARG 42 N -4.49 4.07 -2.30 1.13 0.63 -0.91 -4.68 116.66 110.12 1yx0 n ARG 42 Ca -0.10 -3.48 -0.05 0.00 -0.92 0.00 0.00 57.85 53.30 1yx0 n ARG 42 Cb 0.52 -2.78 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yx0 n GLY 43 N 2.31 1.90 0.15 5.14 0.00 -1.25 -4.18 105.19 109.25 1yx0 n GLY 43 Ca 0.50 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 0.42 -0.95 1.61 0.13 -1.88 -3.29 132.00 128.05 1yx0 h PRO 44 Ca -0.13 -0.41 0.19 0.00 -0.87 0.00 0.00 66.00 64.77 1yx0 h PRO 44 Cb 0.52 0.11 -0.18 0.00 0.13 0.00 0.00 31.00 31.58 1yx0 h PRO 44 CO 0.17 1.07 -0.24 1.49 -0.23 0.00 0.00 178.00 180.26 1yx0 h GLU 45 N -0.06 -0.00 -5.53 0.86 4.57 -1.85 -3.36 114.58 109.21 1yx0 h GLU 45 Ca -0.06 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.47 1yx0 h GLU 45 Cb 1.24 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.73 1yx0 h GLU 45 CO 0.11 -0.00 -0.50 0.42 -1.18 0.00 0.00 179.01 177.86 1yx0 s ILE 46 N -6.25 5.33 -0.07 2.32 1.01 -1.24 -4.96 121.20 117.34 1yx0 s ILE 46 Ca -0.15 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1yx0 s ILE 46 Cb 0.26 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1yx0 s ILE 46 CO 0.77 0.56 0.25 -0.89 0.00 0.00 0.00 174.94 175.62 1yx0 s THR 47 N -0.52 5.32 -0.11 2.92 2.01 -1.26 -4.41 115.64 119.59 1yx0 s THR 47 Ca 0.12 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.60 1yx0 s THR 47 Cb -0.12 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1yx0 s THR 47 CO 0.02 0.60 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.99 1yx0 s PHE 48 N -1.05 2.65 -0.11 4.92 0.08 -1.23 -3.41 117.98 119.82 1yx0 s PHE 48 Ca 0.19 -0.85 -0.00 0.00 0.12 0.00 0.00 56.93 56.38 1yx0 s PHE 48 Cb -0.14 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1yx0 s PHE 48 CO 0.08 -0.31 -0.09 -1.58 -0.10 0.00 0.00 175.22 173.22 1yx0 s TRP 49 N 0.29 2.89 -0.04 0.36 0.51 0.93 -0.43 118.94 123.45 1yx0 s TRP 49 Ca -0.14 -0.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.54 1yx0 s TRP 49 Cb -0.17 -1.81 0.03 0.00 -0.81 0.00 0.00 33.47 30.70 1yx0 s TRP 49 CO 0.07 0.04 -0.01 -1.12 -0.51 0.00 0.00 176.95 175.42 1yx0 s SER 50 N -0.10 0.78 0.05 2.95 0.01 -0.90 -0.94 113.70 115.56 1yx0 s SER 50 Ca 0.00 -0.07 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 1yx0 s SER 50 Cb -0.13 -0.33 -0.06 0.00 0.21 0.00 0.00 66.02 65.71 1yx0 s SER 50 CO 0.03 -0.10 0.69 0.00 0.41 0.00 0.00 173.24 174.27 1yx0 s ALA 51 N 1.13 3.44 -0.16 1.44 0.00 -0.83 -2.87 121.76 123.91 1yx0 s ALA 51 Ca -0.08 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1yx0 s ALA 51 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 23.12 20.13 1yx0 s ALA 51 CO -0.01 0.17 -0.20 -1.58 0.00 0.00 0.00 175.76 174.13 1yx0 s TRP 52 N -0.37 2.62 -0.53 0.00 0.52 -0.38 0.17 118.94 120.97 1yx0 s TRP 52 Ca 0.35 -1.45 0.04 0.00 0.02 0.00 0.00 56.10 55.06 1yx0 s TRP 52 Cb -0.20 -1.82 0.17 0.00 -1.15 0.00 0.00 33.47 30.47 1yx0 s TRP 52 CO 0.21 -0.70 0.40 -2.00 0.02 0.00 0.00 176.95 174.88 1yx0 s GLU 53 N 1.12 1.56 0.00 4.98 2.12 -1.22 -3.98 118.70 123.28 1yx0 s GLU 53 Ca -0.00 -2.60 0.00 0.00 0.36 0.00 0.00 54.97 52.73 1yx0 s GLU 53 Cb -0.14 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1yx0 s GLU 53 CO -0.08 -1.33 0.00 0.41 -0.54 0.00 0.00 175.26 173.72 1yx0 n GLY 54 N 2.53 0.27 0.00 -1.50 0.00 -1.26 -4.67 105.19 100.56 1yx0 n GLY 54 Ca 0.25 -1.33 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 0.86 -4.39 1.61 9.92 -1.26 -4.98 116.55 118.31 1yx0 n ASP 55 Ca 0.00 -0.68 -0.21 0.00 -0.53 0.00 0.00 54.79 53.38 1yx0 n ASP 55 Cb 0.00 1.17 -0.10 0.00 -0.64 0.00 0.00 41.12 41.55 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 -2.65 1.46 0.35 -1.24 -1.05 -1.26 -5.11 118.70 109.21 1yx0 s GLU 56 Ca 0.03 -1.66 -0.29 0.00 -0.15 0.00 0.00 54.97 52.90 1yx0 s GLU 56 Cb 0.12 -1.35 -0.11 0.00 -0.44 0.00 0.00 34.13 32.34 1yx0 s GLU 56 CO 0.66 0.23 1.54 1.47 0.95 0.00 0.00 175.26 180.11 1yx0 n LEU 57 N -0.47 4.71 0.02 1.83 -0.00 -1.26 -3.39 117.00 118.42 1yx0 n LEU 57 Ca -0.07 1.20 -0.14 0.00 -0.00 0.00 0.00 56.01 57.00 1yx0 n LEU 57 Cb 0.60 -1.62 -0.14 0.00 -0.00 0.00 0.00 43.42 42.26 1yx0 n LEU 57 CO 0.36 0.19 -0.50 0.00 -0.00 0.00 0.00 177.39 177.45 1yx0 h ALA 58 N 3.61 0.52 -2.40 1.47 0.00 0.14 -3.45 119.26 119.16 1yx0 h ALA 58 Ca -0.50 -1.31 0.21 0.00 0.00 0.00 0.00 54.91 53.32 1yx0 h ALA 58 Cb 1.23 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1yx0 h ALA 58 CO 0.69 1.37 0.67 0.41 0.00 0.00 0.00 179.25 182.40 1yx0 n GLY 59 N 1.68 0.49 3.34 0.00 0.00 -0.30 -4.54 105.19 105.87 1yx0 n GLY 59 Ca -0.19 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.46 2.54 3.38 0.00 0.00 -0.11 -4.54 105.19 105.99 1yx0 n GLY 61 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 0.77 -0.28 4.61 0.00 -1.24 -0.05 121.76 123.57 1yx0 s ALA 62 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 51.96 50.29 1yx0 s ALA 62 Cb 0.00 1.26 0.09 0.00 0.00 0.00 0.00 23.12 24.47 1yx0 s ALA 62 CO 0.00 -0.71 0.77 -0.48 0.00 0.00 0.00 175.76 175.34 1yx0 s LEU 63 N -3.16 -0.78 -0.11 0.00 0.05 -1.22 -3.59 118.68 109.87 1yx0 s LEU 63 Ca 0.33 1.35 -0.02 0.00 0.05 0.00 0.00 54.13 55.84 1yx0 s LEU 63 Cb 0.03 2.29 -0.03 0.00 -2.05 0.00 0.00 46.19 46.43 1yx0 s LEU 63 CO 0.14 -0.22 -0.03 -0.75 -0.55 0.00 0.00 176.35 174.94 1yx0 s LYS 64 N 1.06 3.22 0.50 1.48 2.20 -1.06 -4.21 119.74 122.92 1yx0 s LYS 64 Ca -0.05 -0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 54.86 1yx0 s LYS 64 Cb -0.05 -2.79 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1yx0 s LYS 64 CO -0.11 0.50 0.58 -0.85 -0.36 0.00 0.00 175.35 175.10 1yx0 n GLU 65 N 2.76 0.62 0.00 4.03 0.28 -1.26 -3.87 120.64 123.19 1yx0 n GLU 65 Ca -0.18 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1yx0 n GLU 65 Cb 0.53 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.74 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 0.79 0.00 0.00 -1.84 4.77 -1.23 -4.93 117.00 114.56 1yx0 n LEU 66 Ca 0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 1yx0 n LEU 66 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1yx0 n LEU 66 CO 0.53 0.00 0.02 0.47 -1.33 0.00 0.00 177.39 177.08 1yx0 n ASP 67 N -0.38 1.47 0.22 -1.43 9.92 -0.89 -4.96 116.55 120.49 1yx0 n ASP 67 Ca 0.00 -1.55 0.15 0.00 -0.53 0.00 0.00 54.79 52.86 1yx0 n ASP 67 Cb 0.00 -0.02 0.50 0.00 -0.64 0.00 0.00 41.12 40.97 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1yx0 h THR 68 N 0.53 0.00 0.00 -3.53 1.35 -2.01 -3.27 112.91 105.97 1yx0 h THR 68 Ca -0.10 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1yx0 h THR 68 Cb 0.37 1.53 -0.06 0.00 -1.73 0.00 0.00 68.15 68.26 1yx0 h THR 68 CO 0.16 0.00 -0.43 -2.11 -0.25 0.00 0.00 175.52 172.89 1yx0 n ARG 69 N -2.87 0.00 -4.88 4.72 1.85 -1.26 -4.77 116.66 109.45 1yx0 n ARG 69 Ca 0.02 -0.87 -0.26 0.00 -1.00 0.00 0.00 57.85 55.73 1yx0 n ARG 69 Cb 0.36 -0.24 -0.15 0.00 -1.05 0.00 0.00 32.46 31.38 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 0.00 1.82 0.13 2.89 2.46 -1.24 -1.02 115.29 120.34 1yx0 s HIS 70 Ca 0.04 -0.35 -0.03 0.00 0.47 0.00 0.00 55.06 55.19 1yx0 s HIS 70 Cb 0.05 -1.15 -0.03 0.00 -0.13 0.00 0.00 32.58 31.32 1yx0 s HIS 70 CO -0.02 0.01 0.10 0.20 -2.47 0.00 0.00 174.74 172.56 1yx0 s GLY 71 N -0.71 0.83 -0.02 1.59 0.00 -1.24 -2.10 107.32 105.67 1yx0 s GLY 71 Ca 0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 1yx0 s GLY 71 CO 0.00 -1.23 0.06 -0.54 0.00 0.00 0.00 173.10 171.38 1yx0 s GLU 72 N -4.02 0.13 -0.21 2.90 2.02 -1.25 -2.48 118.70 115.79 1yx0 s GLU 72 Ca 0.21 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 55.11 1yx0 s GLU 72 Cb 0.07 0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 1yx0 s GLU 72 CO 0.00 -0.02 0.02 0.42 0.02 0.00 0.00 175.26 175.70 1yx0 s ILE 73 N -0.26 4.05 -0.27 -1.63 1.09 -1.21 -2.58 121.20 120.40 1yx0 s ILE 73 Ca -0.03 -0.27 0.09 0.00 -1.10 0.00 0.00 60.65 59.33 1yx0 s ILE 73 Cb -0.02 -2.85 0.46 0.00 -1.06 0.00 0.00 42.46 38.99 1yx0 s ILE 73 CO 0.00 0.41 1.19 1.17 -0.10 0.00 0.00 174.94 177.61 1yx0 n LYS 74 N 4.37 3.13 -3.25 2.79 3.00 -1.24 -4.27 118.16 122.69 1yx0 n LYS 74 Ca -0.17 -3.96 0.04 0.00 -0.00 0.00 0.00 58.31 54.22 1yx0 n LYS 74 Cb 0.52 -2.10 -0.02 0.00 0.00 0.00 0.00 35.03 33.42 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yx0 s SER 75 N -3.53 -0.76 -0.29 3.14 0.15 -1.26 -4.85 113.70 106.30 1yx0 s SER 75 Ca 0.47 0.66 0.06 0.00 0.70 0.00 0.00 55.95 57.83 1yx0 s SER 75 Cb 0.40 1.71 0.20 0.00 -1.71 0.00 0.00 66.02 66.62 1yx0 s SER 75 CO 0.01 -0.14 0.58 -0.04 1.20 0.00 0.00 173.24 174.85 1yx0 s MET 76 N 2.78 0.55 -0.20 5.44 -1.94 -1.26 -3.64 119.30 121.03 1yx0 s MET 76 Ca 0.04 0.55 0.01 0.00 -1.71 0.00 0.00 55.69 54.58 1yx0 s MET 76 Cb -0.10 0.23 0.03 0.00 2.01 0.00 0.00 34.83 37.00 1yx0 s MET 76 CO -0.16 -1.03 -0.17 0.50 -0.01 0.00 0.00 175.02 174.15 1yx0 s ARG 77 N 2.82 2.75 0.57 2.03 6.06 -1.26 -5.11 118.95 126.80 1yx0 s ARG 77 Ca 0.10 -0.94 0.09 0.00 -2.50 0.00 0.00 55.73 52.48 1yx0 s ARG 77 Cb -0.10 -2.62 0.08 0.00 0.06 0.00 0.00 34.95 32.37 1yx0 s ARG 77 CO -0.26 -0.30 0.78 0.99 -2.50 0.00 0.00 175.30 174.01 1yx0 s THR 78 N 1.26 2.23 -0.33 4.11 2.01 -1.26 -4.56 115.64 119.10 1yx0 s THR 78 Ca 0.02 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 1yx0 s THR 78 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1yx0 s THR 78 CO -0.11 0.00 0.21 -0.24 -0.69 0.00 0.00 174.62 173.79 1yx0 n SER 79 N -2.24 -7.57 0.00 3.53 2.88 -1.26 -5.02 113.62 103.94 1yx0 n SER 79 Ca 0.15 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1yx0 n SER 79 Cb 0.61 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.03 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 0.28 0.00 -2.48 -1.46 0.00 -1.26 -4.91 120.51 110.68 1yx0 n ALA 80 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 1yx0 n ALA 80 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.91 -0.65 -1.85 0.00 3.41 -1.26 -5.08 113.62 106.28 1yx0 n SER 81 Ca 0.00 -2.10 -0.02 0.00 -0.26 0.00 0.00 58.87 56.49 1yx0 n SER 81 Cb 0.00 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.76 -1.93 -3.99 7.33 8.25 -1.26 -5.09 115.22 117.76 1yx0 n HIS 82 Ca -0.15 1.13 -0.09 0.00 -0.26 0.00 0.00 57.72 58.36 1yx0 n HIS 82 Cb 0.84 -2.59 -0.10 0.00 1.12 0.00 0.00 29.99 29.26 1yx0 n HIS 82 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1yx0 s LEU 83 N -0.27 2.15 -0.41 2.41 0.20 -1.26 -5.12 118.68 116.38 1yx0 s LEU 83 Ca -0.09 -0.61 0.03 0.00 0.69 0.00 0.00 54.13 54.15 1yx0 s LEU 83 Cb 0.01 0.28 0.11 0.00 -0.43 0.00 0.00 46.19 46.16 1yx0 s LEU 83 CO 0.24 -0.43 0.14 -0.13 -0.29 0.00 0.00 176.35 175.89 1yx0 s ARG 84 N -2.34 1.73 0.00 1.98 3.00 -1.26 -4.75 118.95 117.31 1yx0 s ARG 84 Ca -0.08 -2.10 0.00 0.00 0.00 0.00 0.00 55.73 53.56 1yx0 s ARG 84 Cb -0.03 -3.31 0.00 0.00 0.00 0.00 0.00 34.95 31.61 1yx0 s ARG 84 CO -0.04 -1.01 0.00 1.17 0.00 0.00 0.00 175.30 175.42 1yx0 n LYS 85 N 3.96 0.00 0.00 3.54 3.00 -1.26 -5.09 118.16 122.31 1yx0 n LYS 85 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1yx0 n LYS 85 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yx0 n GLY 86 N -1.14 0.04 0.48 3.14 0.00 -1.26 -4.91 105.19 101.54 1yx0 n GLY 86 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.08 1.61 2.07 -1.92 1.46 116.25 119.39 1yx0 h VAL 87 Ca 0.00 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 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 -0.42 0.00 0.02 0.00 0.00 177.57 177.17 1yx0 h ALA 88 N -1.42 1.14 -0.40 1.67 0.00 -1.88 -2.69 119.26 115.67 1yx0 h ALA 88 Ca -0.12 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1yx0 h ALA 88 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yx0 h ALA 88 CO 0.20 0.59 0.04 -0.22 0.00 0.00 0.00 179.25 179.86 1yx0 h LYS 89 N 0.15 0.67 -0.52 0.00 3.64 -1.89 1.35 116.57 119.98 1yx0 h LYS 89 Ca 0.01 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1yx0 h LYS 89 Cb 0.82 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1yx0 h LYS 89 CO 0.06 0.74 0.25 1.96 -2.27 0.00 0.00 179.45 180.19 1yx0 h GLN 90 N 0.51 0.48 -0.04 1.90 4.20 0.23 1.43 115.11 123.82 1yx0 h GLN 90 Ca 0.12 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 1yx0 h GLN 90 Cb 0.40 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1yx0 h GLN 90 CO 0.01 0.32 -0.63 0.28 -0.67 0.00 0.00 178.83 178.13 1yx0 h VAL 91 N 0.49 1.39 0.40 -0.54 2.07 -1.28 -1.68 116.25 117.10 1yx0 h VAL 91 Ca 0.23 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1yx0 h VAL 91 Cb 0.15 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1yx0 h VAL 91 CO -0.17 0.60 -0.27 0.25 0.02 0.00 0.00 177.57 178.00 1yx0 h LEU 92 N 0.04 -0.69 -1.07 2.57 5.85 0.22 1.40 115.31 123.64 1yx0 h LEU 92 Ca -0.07 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1yx0 h LEU 92 Cb 1.32 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.49 1yx0 h LEU 92 CO 0.13 -0.42 0.62 -0.61 -0.34 0.00 0.00 178.44 177.82 1yx0 h GLN 93 N -0.65 1.06 -0.16 1.25 -0.00 0.19 0.89 115.11 117.69 1yx0 h GLN 93 Ca -0.04 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 1yx0 h GLN 93 Cb 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 27.48 27.78 1yx0 h GLN 93 CO 0.03 0.70 -0.09 1.25 0.00 0.00 0.00 178.83 180.72 1yx0 h HIS 94 N 1.10 0.40 -0.38 3.99 2.76 -0.70 -1.53 115.15 120.79 1yx0 h HIS 94 Ca 0.42 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.55 1yx0 h HIS 94 Cb 0.21 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 1yx0 h HIS 94 CO -0.00 0.67 0.03 0.82 -1.30 0.00 0.00 177.93 178.15 1yx0 h ILE 95 N 0.01 0.75 -0.63 6.26 2.04 0.27 0.46 117.51 126.67 1yx0 h ILE 95 Ca 0.03 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1yx0 h ILE 95 Cb 0.57 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1yx0 h ILE 95 CO 0.03 0.03 0.38 0.40 0.00 0.00 0.00 178.15 178.98 1yx0 h ILE 96 N 0.14 1.04 -0.83 -0.67 2.04 -0.79 -1.37 117.51 117.07 1yx0 h ILE 96 Ca 0.18 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1yx0 h ILE 96 Cb 0.24 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1yx0 h ILE 96 CO -0.28 0.13 0.44 -0.08 0.00 0.00 0.00 178.15 178.36 1yx0 h GLU 97 N 0.72 1.17 -0.29 2.37 4.22 -0.07 0.55 114.58 123.25 1yx0 h GLU 97 Ca 0.27 -0.15 0.05 0.00 0.08 0.00 0.00 59.36 59.61 1yx0 h GLU 97 Cb 0.08 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1yx0 h GLU 97 CO -0.13 0.87 0.01 0.93 -2.18 0.00 0.00 179.01 178.51 1yx0 h GLU 98 N 1.17 0.09 -0.33 1.92 4.39 0.91 0.16 114.58 122.88 1yx0 h GLU 98 Ca 0.29 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1yx0 h GLU 98 Cb 0.05 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1yx0 h GLU 98 CO -0.04 0.06 -0.18 0.00 -1.16 0.00 0.00 179.01 177.69 1yx0 h ALA 99 N 1.24 1.07 -0.89 3.43 0.00 -0.99 -2.59 119.26 120.54 1yx0 h ALA 99 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yx0 h ALA 99 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1yx0 h ALA 99 CO -0.22 0.57 0.56 0.93 0.00 0.00 0.00 179.25 181.08 1yx0 h GLU 100 N 0.55 1.20 -0.94 0.00 5.08 0.38 0.47 114.58 121.31 1yx0 h GLU 100 Ca 0.09 -0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1yx0 h GLU 100 Cb 0.61 -0.26 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 1yx0 h GLU 100 CO 0.04 0.82 0.57 -0.22 -1.00 0.00 0.00 179.01 179.23 1yx0 h LYS 101 N 1.22 0.90 0.25 2.33 3.64 -0.32 -1.71 116.57 122.87 1yx0 h LYS 101 Ca 0.32 -0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.31 1yx0 h LYS 101 Cb -0.09 -0.20 0.04 0.00 -0.41 0.00 0.00 32.23 31.57 1yx0 h LYS 101 CO -0.06 0.59 -1.47 0.00 -2.27 0.00 0.00 179.45 176.24 1yx0 h ARG 102 N 0.92 0.53 0.00 1.90 2.47 -1.28 -3.49 114.38 115.44 1yx0 h ARG 102 Ca 0.46 -0.91 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1yx0 h ARG 102 Cb 0.44 0.34 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1yx0 h ARG 102 CO -0.26 1.43 0.00 0.41 0.56 0.00 0.00 179.97 182.11 1yx0 n GLY 103 N 1.70 0.69 3.80 0.04 0.00 0.15 -5.10 105.19 106.48 1yx0 n GLY 103 Ca -0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.81 2.87 0.00 1.61 1.51 -0.65 -4.79 117.35 117.08 1yx0 s TYR 104 Ca 0.00 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1yx0 s TYR 104 Cb 0.00 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.79 1yx0 s TYR 104 CO 0.00 -1.66 0.57 0.39 -1.11 0.00 0.00 175.55 173.73 1yx0 n GLU 105 N -3.38 0.76 -3.50 -0.62 1.02 -0.19 -4.80 120.64 109.93 1yx0 n GLU 105 Ca 0.07 -0.71 -0.14 0.00 -0.02 0.00 0.00 57.16 56.36 1yx0 n GLU 105 Cb 0.55 -0.68 -0.04 0.00 -0.02 0.00 0.00 31.44 31.25 1yx0 n GLU 105 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1yx0 s ARG 106 N -0.28 1.03 -0.25 3.49 6.06 -0.77 -4.05 118.95 124.17 1yx0 s ARG 106 Ca 0.00 -0.03 -0.10 0.00 -2.50 0.00 0.00 55.73 53.10 1yx0 s ARG 106 Cb 0.00 0.48 0.10 0.00 0.06 0.00 0.00 34.95 35.59 1yx0 s ARG 106 CO 0.00 -0.38 0.55 -0.51 -2.50 0.00 0.00 175.30 172.46 1yx0 s LEU 107 N -1.77 -0.84 0.20 -0.88 1.43 -1.06 -3.63 118.68 112.13 1yx0 s LEU 107 Ca -0.04 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.42 1yx0 s LEU 107 Cb -0.00 1.89 -0.04 0.00 0.03 0.00 0.00 46.19 48.07 1yx0 s LEU 107 CO 0.00 -0.22 0.07 -0.44 0.23 0.00 0.00 176.35 175.99 1yx0 s SER 108 N 2.47 5.07 0.27 2.29 0.01 -1.03 -2.13 113.70 120.65 1yx0 s SER 108 Ca -0.05 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1yx0 s SER 108 Cb -0.11 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 1yx0 s SER 108 CO -0.16 0.05 0.14 -1.48 0.41 0.00 0.00 173.24 172.20 1yx0 s LEU 109 N -3.24 1.52 -0.41 2.44 0.05 -1.26 -3.29 118.68 114.49 1yx0 s LEU 109 Ca 0.30 -1.48 -0.11 0.00 0.05 0.00 0.00 54.13 52.89 1yx0 s LEU 109 Cb -0.09 0.23 0.06 0.00 -2.05 0.00 0.00 46.19 44.34 1yx0 s LEU 109 CO 0.21 -0.85 0.27 -1.83 -0.55 0.00 0.00 176.35 173.60 1yx0 s GLU 110 N -3.94 2.75 -0.22 1.48 -1.05 -1.26 -4.46 118.70 112.01 1yx0 s GLU 110 Ca 0.37 -1.30 -0.10 0.00 -0.15 0.00 0.00 54.97 53.80 1yx0 s GLU 110 Cb 0.06 -3.83 0.09 0.00 -0.44 0.00 0.00 34.13 30.01 1yx0 s GLU 110 CO 0.16 -0.87 0.50 -0.08 0.95 0.00 0.00 175.26 175.92 1yx0 s THR 111 N 1.51 -0.39 -0.13 1.83 -1.32 -1.26 -5.02 115.64 110.86 1yx0 s THR 111 Ca 0.03 0.09 0.15 0.00 -1.21 0.00 0.00 61.69 60.75 1yx0 s THR 111 Cb -0.22 -0.76 0.38 0.00 -1.51 0.00 0.00 72.50 70.39 1yx0 s THR 111 CO 0.05 0.04 1.19 0.61 -2.21 0.00 0.00 174.62 174.29 1yx0 n GLY 112 N 4.85 3.78 3.44 6.08 0.00 -1.24 -3.92 105.19 118.18 1yx0 n GLY 112 Ca -0.16 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.68 -2.63 -4.88 1.61 7.64 -1.26 -3.11 113.62 110.31 1yx0 n SER 113 Ca 0.14 -0.66 -0.33 0.00 1.01 0.00 0.00 58.87 59.03 1yx0 n SER 113 Cb 0.80 -4.98 -0.05 0.00 -1.01 0.00 0.00 64.21 58.97 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1yx0 s MET 114 N -5.31 3.72 0.40 1.43 1.00 -1.26 -4.89 119.30 114.38 1yx0 s MET 114 Ca 0.07 0.10 0.14 0.00 0.00 0.00 0.00 55.69 56.00 1yx0 s MET 114 Cb -0.01 -2.87 0.99 0.00 0.00 0.00 0.00 34.83 32.94 1yx0 s MET 114 CO 0.74 0.47 1.89 0.00 0.00 0.00 0.00 175.02 178.12 1yx0 h ALA 115 N 3.12 2.05 -0.13 3.03 0.00 -1.97 1.49 119.26 126.85 1yx0 h ALA 115 Ca -0.47 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1yx0 h ALA 115 Cb 1.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1yx0 h ALA 115 CO 0.69 -0.28 -0.17 0.77 0.00 0.00 0.00 179.25 180.26 1yx0 h SER 116 N 0.50 0.38 -1.07 0.00 0.02 -2.02 -3.24 113.55 108.12 1yx0 h SER 116 Ca 0.42 -0.51 -0.65 0.00 -0.84 0.00 0.00 61.79 60.22 1yx0 h SER 116 Cb 0.89 -0.11 -0.34 0.00 0.14 0.00 0.00 62.40 62.99 1yx0 h SER 116 CO -0.16 0.81 0.29 0.49 -1.14 0.00 0.00 176.83 177.12 1yx0 n PHE 117 N -4.54 3.08 0.16 3.45 3.72 -0.04 -4.69 117.46 118.60 1yx0 n PHE 117 Ca -0.06 -2.72 -0.12 0.00 -0.05 0.00 0.00 57.45 54.49 1yx0 n PHE 117 Cb 0.38 -1.01 -0.07 0.00 -0.94 0.00 0.00 39.48 37.84 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 2.20 -0.44 0.00 -1.08 5.08 0.20 -3.19 114.58 117.34 1yx0 h GLU 118 Ca 0.52 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1yx0 h GLU 118 Cb 0.95 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1yx0 h GLU 118 CO 1.29 -0.11 0.00 -1.00 -1.00 0.00 0.00 179.01 178.18 1yx0 h PRO 119 N -0.91 0.00 -0.26 2.33 0.13 -1.84 -3.21 132.00 128.25 1yx0 h PRO 119 Ca -0.05 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 1yx0 h PRO 119 Cb 0.53 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 1yx0 h PRO 119 CO 0.08 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 177.77 1yx0 h ALA 120 N 2.13 0.15 -0.13 -0.56 0.00 -1.85 0.30 119.26 119.29 1yx0 h ALA 120 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1yx0 h ALA 120 Cb 0.68 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1yx0 h ALA 120 CO 0.00 -0.48 -0.24 0.07 0.00 0.00 0.00 179.25 178.60 1yx0 h ARG 121 N -0.02 0.23 -0.49 0.00 0.11 -1.57 -2.22 114.38 110.42 1yx0 h ARG 121 Ca 0.13 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 60.06 1yx0 h ARG 121 Cb 0.21 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 1yx0 h ARG 121 CO -0.28 0.46 -0.01 0.87 0.10 0.00 0.00 179.97 181.12 1yx0 h LYS 122 N 0.21 0.81 -0.04 0.08 1.57 -1.11 -0.34 116.57 117.76 1yx0 h LYS 122 Ca 0.04 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1yx0 h LYS 122 Cb 0.54 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1yx0 h LYS 122 CO 0.04 0.82 -0.28 1.25 -0.57 0.00 0.00 179.45 180.71 1yx0 h LEU 123 N 0.76 0.07 0.00 2.94 5.85 0.10 -2.46 115.31 122.57 1yx0 h LEU 123 Ca 0.15 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1yx0 h LEU 123 Cb 0.47 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1yx0 h LEU 123 CO 0.02 0.35 -0.00 1.88 -0.34 0.00 0.00 178.44 180.35 1yx0 h TYR 124 N 0.06 -0.00 -0.99 1.25 0.05 -0.99 -3.23 116.97 113.12 1yx0 h TYR 124 Ca 0.01 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.98 1yx0 h TYR 124 Cb 0.53 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.17 1yx0 h TYR 124 CO 0.00 0.69 0.61 0.93 -1.05 0.00 0.00 178.16 179.35 1yx0 h GLU 125 N -0.70 0.69 0.00 4.88 5.08 -0.95 1.43 114.58 125.01 1yx0 h GLU 125 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1yx0 h GLU 125 Cb 0.69 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yx0 h GLU 125 CO 0.00 0.46 0.00 0.45 -1.00 0.00 0.00 179.01 178.92 1yx0 n SER 126 N -4.72 0.20 0.02 1.42 2.88 -0.94 -0.83 113.62 111.65 1yx0 n SER 126 Ca 0.23 0.57 0.11 0.00 -1.33 0.00 0.00 58.87 58.45 1yx0 n SER 126 Cb 0.60 -0.60 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.74 0.25 0.00 0.66 -0.00 0.49 -4.95 117.46 112.17 1yx0 n PHE 127 Ca 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 1yx0 n PHE 127 Cb 0.11 -0.51 0.00 0.00 -0.00 0.00 0.00 39.48 39.07 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx0 n GLY 128 N 1.30 1.33 3.65 7.13 0.00 -0.01 -5.04 105.19 113.56 1yx0 n GLY 128 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 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 2.09 -4.34 1.61 3.72 -1.06 -4.81 117.46 114.67 1yx0 n PHE 129 Ca 0.00 0.38 -0.25 0.00 -0.05 0.00 0.00 57.45 57.53 1yx0 n PHE 129 Cb 0.00 -2.48 -0.12 0.00 -0.94 0.00 0.00 39.48 35.94 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 0.50 1.28 0.37 -1.08 -0.21 -0.07 -4.29 119.66 116.16 1yx0 s GLN 130 Ca 0.77 -1.30 -0.28 0.00 0.02 0.00 0.00 55.36 54.56 1yx0 s GLN 130 Cb -0.72 -1.59 -0.11 0.00 1.00 0.00 0.00 33.01 31.59 1yx0 s GLN 130 CO 0.42 0.36 1.47 0.71 -2.12 0.00 0.00 175.29 176.14 1yx0 s TYR 131 N -1.34 2.65 0.14 0.91 2.02 -1.26 0.92 117.35 121.39 1yx0 s TYR 131 Ca 0.12 1.18 -0.07 0.00 -0.37 0.00 0.00 57.07 57.92 1yx0 s TYR 131 Cb -0.09 -3.99 0.03 0.00 -0.40 0.00 0.00 41.96 37.51 1yx0 s TYR 131 CO 0.06 -2.90 0.37 0.00 -1.57 0.00 0.00 175.55 171.50 1yx0 n GLU 133 N -0.25 0.16 -2.41 0.00 4.71 -1.26 -4.23 120.64 117.36 1yx0 n GLU 133 Ca -0.03 0.07 -0.43 0.00 -0.01 0.00 0.00 57.16 56.76 1yx0 n GLU 133 Cb 0.25 -1.30 -0.02 0.00 -1.01 0.00 0.00 31.44 29.36 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 -1.67 4.24 0.12 3.49 0.04 -1.26 -4.54 135.00 135.42 1yx0 s PRO 134 Ca 0.59 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1yx0 s PRO 134 Cb -0.42 -3.76 0.01 0.00 0.04 0.00 0.00 34.50 30.37 1yx0 s PRO 134 CO 0.64 -0.70 0.05 1.19 0.04 0.00 0.00 177.00 178.23 1yx0 n PHE 135 N 6.54 -0.58 -0.91 0.56 3.01 -1.26 -4.92 117.46 119.89 1yx0 n PHE 135 Ca 0.14 -0.54 0.12 0.00 1.01 0.00 0.00 57.45 58.18 1yx0 n PHE 135 Cb 0.45 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.79 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yx0 n ALA 136 N -2.69 -2.36 -0.20 4.37 0.00 -1.26 -3.89 120.51 114.47 1yx0 n ALA 136 Ca -0.04 0.40 0.25 0.00 0.00 0.00 0.00 53.44 54.05 1yx0 n ALA 136 Cb 0.14 -0.88 0.65 0.00 0.00 0.00 0.00 19.45 19.36 1yx0 n ALA 136 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yx0 h ASP 137 N -0.86 0.15 -4.18 0.00 1.82 -1.95 -3.41 116.42 107.99 1yx0 h ASP 137 Ca -0.03 0.02 -0.52 0.00 -0.39 0.00 0.00 57.03 56.10 1yx0 h ASP 137 Cb 0.85 -0.01 0.12 0.00 0.68 0.00 0.00 39.33 40.97 1yx0 h ASP 137 CO 0.02 0.05 0.39 -0.31 -1.61 0.00 0.00 179.24 177.79 1yx0 s TYR 138 N -5.14 2.36 0.00 0.28 1.51 -1.25 -5.02 117.35 110.09 1yx0 s TYR 138 Ca -0.06 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.57 1yx0 s TYR 138 Cb 0.22 -3.32 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1yx0 s TYR 138 CO 0.78 -2.10 0.00 0.41 -1.11 0.00 0.00 175.55 173.52 1yx0 n GLY 139 N -0.02 4.27 3.06 0.71 0.00 -1.26 -4.44 105.19 107.51 1yx0 n GLY 139 Ca 0.12 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -0.15 0.00 1.61 1.02 -1.26 -4.95 120.64 116.91 1yx0 n GLU 140 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1yx0 n GLU 140 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yx0 n ASP 141 N 2.60 0.00 0.11 1.62 9.92 -1.26 -4.99 116.55 124.55 1yx0 n ASP 141 Ca -0.01 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.22 1yx0 n ASP 141 Cb 0.63 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.17 1yx0 n ASP 141 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1yx0 h PRO 142 N 0.00 0.01 -1.18 -0.24 0.13 -2.01 -3.40 132.00 125.31 1yx0 h PRO 142 Ca 0.00 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1yx0 h PRO 142 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1yx0 h PRO 142 CO 0.00 0.76 -0.54 -0.80 -0.23 0.00 0.00 178.00 177.19 1yx0 s ASN 143 N -6.80 -1.06 -0.01 1.44 0.01 -1.26 -5.14 114.94 102.11 1yx0 s ASN 143 Ca -0.01 -1.67 -0.01 0.00 -0.71 0.00 0.00 52.86 50.46 1yx0 s ASN 143 Cb 0.12 1.62 0.01 0.00 0.41 0.00 0.00 41.25 43.41 1yx0 s ASN 143 CO 0.78 -0.10 0.03 -0.94 -1.51 0.00 0.00 177.10 175.37 1yx0 s SER 144 N 1.01 -0.02 0.50 -1.22 1.04 -1.26 -4.81 113.70 108.94 1yx0 s SER 144 Ca 0.27 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.82 1yx0 s SER 144 Cb -0.01 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1yx0 s SER 144 CO -0.07 -0.02 0.31 0.68 0.98 0.00 0.00 173.24 175.13 1yx0 s VAL 145 N 0.11 1.86 -0.09 5.02 -7.23 -1.18 -4.91 120.40 113.98 1yx0 s VAL 145 Ca -0.01 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1yx0 s VAL 145 Cb -0.01 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1yx0 s VAL 145 CO -0.00 0.00 0.81 -0.36 -0.31 0.00 0.00 175.10 175.24 1yx0 s PHE 146 N -2.71 -0.53 0.14 2.82 0.08 -1.25 -3.70 117.98 112.82 1yx0 s PHE 146 Ca 0.34 0.88 -0.17 0.00 0.12 0.00 0.00 56.93 58.10 1yx0 s PHE 146 Cb -0.01 0.43 0.04 0.00 -0.57 0.00 0.00 43.02 42.92 1yx0 s PHE 146 CO 0.20 -0.51 0.44 0.00 -0.10 0.00 0.00 175.22 175.26 1yx0 s MET 147 N -1.30 1.13 0.11 0.44 0.23 -1.26 -1.93 119.30 116.72 1yx0 s MET 147 Ca -0.06 -0.69 0.04 0.00 -1.03 0.00 0.00 55.69 53.94 1yx0 s MET 147 Cb -0.00 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 1yx0 s MET 147 CO 0.05 -0.46 -0.10 -0.08 -2.03 0.00 0.00 175.02 172.41 1yx0 s THR 148 N -3.81 0.96 -0.03 3.16 -1.32 0.26 -4.40 115.64 110.47 1yx0 s THR 148 Ca 0.03 -1.79 0.05 0.00 -1.21 0.00 0.00 61.69 58.77 1yx0 s THR 148 Cb 0.01 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.44 1yx0 s THR 148 CO -0.11 -0.65 -0.16 -0.75 -2.21 0.00 0.00 174.62 170.74 1yx0 s LYS 149 N -3.19 2.40 -0.20 7.08 2.36 -0.90 -0.89 119.74 126.40 1yx0 s LYS 149 Ca 0.09 -0.77 -0.03 0.00 -2.55 0.00 0.00 55.97 52.72 1yx0 s LYS 149 Cb -0.00 -2.32 -0.01 0.00 -1.05 0.00 0.00 37.83 34.45 1yx0 s LYS 149 CO -0.01 0.60 -0.08 0.21 1.55 0.00 0.00 175.35 177.63 1yx0 s LYS 150 N -0.86 3.33 0.00 4.03 2.20 -1.26 -2.56 119.74 124.62 1yx0 s LYS 150 Ca 0.12 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1yx0 s LYS 150 Cb -0.11 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1yx0 s LYS 150 CO 0.01 -0.12 0.37 1.28 -0.36 0.00 0.00 175.35 176.54