#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypf h ASN 3 N 0.00 0.00 -3.18 1.61 -0.00 -2.05 -3.46 115.58 108.49 1ypf h ASN 3 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 56.30 55.63 1ypf h ASN 3 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 38.18 1ypf h ASN 3 CO 0.00 0.19 -0.59 0.54 -0.00 0.00 0.00 177.43 177.57 1ypf s VAL 4 N -1.24 4.58 0.21 2.57 0.11 -1.26 -4.95 120.40 120.43 1ypf s VAL 4 Ca -0.01 -0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 1ypf s VAL 4 Cb 0.00 -2.96 0.06 0.00 -1.53 0.00 0.00 36.38 31.95 1ypf s VAL 4 CO 0.02 0.59 0.92 0.72 -3.33 0.00 0.00 175.10 174.01 1ypf s PHE 5 N -0.70 -0.05 0.32 1.54 -0.12 -1.26 -5.06 117.98 112.64 1ypf s PHE 5 Ca 0.11 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 1ypf s PHE 5 Cb -0.12 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1ypf s PHE 5 CO 0.02 -1.02 0.17 0.34 -0.05 0.00 0.00 175.22 174.68 1ypf s ASP 6 N -3.07 1.74 0.30 1.98 -1.08 -1.26 -2.79 116.67 112.49 1ypf s ASP 6 Ca 0.15 -1.60 -0.01 0.00 -0.52 0.00 0.00 52.55 50.58 1ypf s ASP 6 Cb -0.03 0.42 0.68 0.00 -1.46 0.00 0.00 42.92 42.53 1ypf s ASP 6 CO 0.05 -0.91 1.55 -1.22 0.52 0.00 0.00 175.17 175.16 1ypf n TYR 7 N -0.63 0.56 0.31 -5.34 4.01 -1.26 -1.32 117.16 113.49 1ypf n TYR 7 Ca 0.01 1.20 0.19 0.00 -0.16 0.00 0.00 57.90 59.14 1ypf n TYR 7 Cb 0.65 -1.20 0.90 0.00 -0.31 0.00 0.00 39.34 39.37 1ypf n TYR 7 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1ypf h GLU 8 N 0.00 0.00 0.00 -0.72 9.09 -1.96 -2.68 114.58 118.32 1ypf h GLU 8 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1ypf h GLU 8 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1ypf h GLU 8 CO -0.96 0.00 -0.13 -0.44 0.05 0.00 0.00 179.01 177.53 1ypf h ASP 9 N 0.00 0.00 -3.33 3.06 3.32 -1.55 -3.43 116.42 114.49 1ypf h ASP 9 Ca 0.00 -0.04 -0.66 0.00 0.02 0.00 0.00 57.03 56.35 1ypf h ASP 9 Cb 0.28 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.66 1ypf h ASP 9 CO 0.00 0.02 -0.63 -0.63 -1.72 0.00 0.00 179.24 176.28 1ypf s ILE 10 N -3.14 4.24 -0.10 0.35 -1.09 -1.01 -0.45 121.20 120.01 1ypf s ILE 10 Ca 0.09 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1ypf s ILE 10 Cb 0.11 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1ypf s ILE 10 CO 0.63 0.56 -0.21 -1.10 -1.23 0.00 0.00 174.94 173.59 1ypf s GLN 11 N -0.38 2.73 0.17 2.79 -1.52 -0.91 -4.98 119.66 117.56 1ypf s GLN 11 Ca 0.07 -0.77 -0.25 0.00 -1.95 0.00 0.00 55.36 52.47 1ypf s GLN 11 Cb -0.12 -2.11 -0.08 0.00 -0.22 0.00 0.00 33.01 30.47 1ypf s GLN 11 CO 0.02 0.11 0.77 -0.51 -0.25 0.00 0.00 175.29 175.43 1ypf s LEU 12 N 0.49 4.57 -0.19 2.90 1.43 -1.26 -1.10 118.68 125.53 1ypf s LEU 12 Ca -0.16 1.61 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 1ypf s LEU 12 Cb -0.17 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1ypf s LEU 12 CO 0.06 0.20 0.36 -0.63 0.23 0.00 0.00 176.35 176.57 1ypf s ILE 13 N -1.18 5.23 0.53 -0.59 1.01 -0.04 -4.96 121.20 121.19 1ypf s ILE 13 Ca 0.36 0.65 -0.21 0.00 0.00 0.00 0.00 60.65 61.46 1ypf s ILE 13 Cb -0.22 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 1ypf s ILE 13 CO 0.25 0.29 1.17 -2.84 0.00 0.00 0.00 174.94 173.82 1ypf s PRO 14 N 1.06 3.39 0.43 2.79 0.02 -1.26 -4.45 135.00 136.97 1ypf s PRO 14 Ca 0.18 1.75 0.06 0.00 0.02 0.00 0.00 61.00 63.01 1ypf s PRO 14 Cb -0.14 -2.13 -0.06 0.00 0.02 0.00 0.00 34.50 32.19 1ypf s PRO 14 CO 0.07 -0.85 0.08 0.00 -0.33 0.00 0.00 177.00 175.97 1ypf s ALA 15 N -1.63 3.47 0.15 -1.55 0.00 -0.24 -5.03 121.76 116.92 1ypf s ALA 15 Ca 0.71 -1.95 -0.33 0.00 0.00 0.00 0.00 51.96 50.38 1ypf s ALA 15 Cb -0.28 -0.05 -0.13 0.00 0.00 0.00 0.00 23.12 22.66 1ypf s ALA 15 CO 0.32 -0.13 1.64 1.17 0.00 0.00 0.00 175.76 178.75 1ypf n LYS 16 N -1.12 2.30 -2.16 0.00 4.81 -1.26 -4.07 118.16 116.66 1ypf n LYS 16 Ca -0.06 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.80 1ypf n LYS 16 Cb 0.66 -2.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.06 1ypf n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ypf n ILE 18 N 3.30 1.42 -4.43 0.00 -5.35 -1.26 -5.04 119.36 108.01 1ypf n ILE 18 Ca 0.09 -1.61 -0.23 0.00 -0.27 0.00 0.00 62.75 60.74 1ypf n ILE 18 Cb 0.42 0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 38.36 1ypf n ILE 18 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1ypf s VAL 19 N -1.90 2.24 -0.27 7.28 -7.23 -1.26 -5.02 120.40 114.25 1ypf s VAL 19 Ca 0.16 -2.30 0.22 0.00 -1.81 0.00 0.00 61.98 58.25 1ypf s VAL 19 Cb 0.14 -2.19 -0.22 0.00 0.56 0.00 0.00 36.38 34.66 1ypf s VAL 19 CO 0.01 -0.42 0.73 0.59 -0.31 0.00 0.00 175.10 175.70 1ypf n ASN 20 N -0.43 0.37 -3.69 4.85 5.03 -1.26 -4.93 115.26 115.20 1ypf n ASN 20 Ca -0.07 -0.07 -0.14 0.00 0.87 0.00 0.00 54.58 55.17 1ypf n ASN 20 Cb 0.60 1.39 -0.08 0.00 -1.02 0.00 0.00 39.78 40.66 1ypf n ASN 20 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1ypf s SER 21 N -4.44 -0.40 0.10 6.41 1.04 -1.26 -4.99 113.70 110.17 1ypf s SER 21 Ca -0.03 0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.96 1ypf s SER 21 Cb 0.13 0.57 0.30 0.00 0.10 0.00 0.00 66.02 67.12 1ypf s SER 21 CO 0.86 -0.40 1.08 -2.11 0.98 0.00 0.00 173.24 173.65 1ypf n ARG 22 N 1.65 0.04 0.16 4.02 1.85 -1.26 -0.94 116.66 122.18 1ypf n ARG 22 Ca -0.18 0.46 0.13 0.00 -1.00 0.00 0.00 57.85 57.26 1ypf n ARG 22 Cb 0.56 -1.74 0.49 0.00 -1.05 0.00 0.00 32.46 30.72 1ypf n ARG 22 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ypf h SER 23 N 0.00 0.00 0.06 2.89 4.64 -1.94 -2.47 113.55 116.74 1ypf h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ypf h SER 23 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ypf h SER 23 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1ypf n GLU 24 N -2.49 0.90 -3.65 4.77 1.02 -0.11 -4.86 120.64 116.21 1ypf n GLU 24 Ca 0.03 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.80 1ypf n GLU 24 Cb 0.31 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 1ypf n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ypf s ASP 26 N -0.04 5.20 0.00 0.00 -1.08 0.18 -4.90 116.67 116.03 1ypf s ASP 26 Ca 0.15 -0.35 0.23 0.00 -0.52 0.00 0.00 52.55 52.06 1ypf s ASP 26 Cb -0.13 -1.93 0.41 0.00 -1.46 0.00 0.00 42.92 39.81 1ypf s ASP 26 CO 0.03 -0.09 1.39 0.35 0.52 0.00 0.00 175.17 177.38 1ypf n THR 27 N 4.92 0.47 -1.72 1.71 -2.24 -1.26 -2.23 114.28 113.93 1ypf n THR 27 Ca -0.15 -0.73 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 1ypf n THR 27 Cb 0.50 1.03 0.06 0.00 -2.10 0.00 0.00 70.33 69.83 1ypf n THR 27 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ypf s THR 28 N -1.53 2.52 0.02 4.28 -4.23 -1.24 -4.13 115.64 111.34 1ypf s THR 28 Ca 0.38 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1ypf s THR 28 Cb 0.23 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1ypf s THR 28 CO 0.32 -0.11 -0.01 0.54 -0.54 0.00 0.00 174.62 174.82 1ypf s VAL 29 N -1.83 0.13 -0.00 2.29 0.11 -0.92 -4.75 120.40 115.42 1ypf s VAL 29 Ca 0.75 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1ypf s VAL 29 Cb -0.29 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1ypf s VAL 29 CO 0.40 -0.57 0.02 0.42 -3.33 0.00 0.00 175.10 172.03 1ypf s THR 30 N -1.89 4.30 -0.20 5.04 -4.23 -1.26 -0.45 115.64 116.94 1ypf s THR 30 Ca -0.12 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1ypf s THR 30 Cb -0.07 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.91 1ypf s THR 30 CO -0.02 0.37 0.10 -0.22 -0.54 0.00 0.00 174.62 174.31 1ypf s LEU 31 N -1.59 0.47 0.00 4.79 2.96 -0.58 -5.02 118.68 119.72 1ypf s LEU 31 Ca 0.20 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1ypf s LEU 31 Cb -0.12 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.28 1ypf s LEU 31 CO 0.11 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1ypf n GLY 32 N 5.25 0.98 1.32 7.98 0.00 -1.26 -3.00 105.19 116.47 1ypf n GLY 32 Ca -0.07 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.45 1ypf n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ypf n LYS 33 N 12.23 3.00 -4.35 1.61 5.02 -1.26 -4.94 118.16 129.47 1ypf n LYS 33 Ca 0.00 -2.41 -0.20 0.00 -2.02 0.00 0.00 58.31 53.68 1ypf n LYS 33 Cb 0.00 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.20 1ypf n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ypf s HIS 34 N -1.53 1.30 -0.05 2.13 3.76 -1.16 -5.15 115.29 114.59 1ypf s HIS 34 Ca 0.44 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 1ypf s HIS 34 Cb 0.26 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1ypf s HIS 34 CO 0.25 0.05 0.01 0.21 -0.85 0.00 0.00 174.74 174.41 1ypf s LYS 35 N -1.25 2.93 0.15 1.40 2.20 -1.26 -1.52 119.74 122.38 1ypf s LYS 35 Ca 0.02 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 1ypf s LYS 35 Cb -0.08 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1ypf s LYS 35 CO 0.02 0.67 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.50 1ypf s PHE 36 N -0.98 1.37 0.34 4.03 0.08 0.40 -4.91 117.98 118.31 1ypf s PHE 36 Ca 0.16 -0.68 0.09 0.00 0.12 0.00 0.00 56.93 56.63 1ypf s PHE 36 Cb -0.11 -0.69 0.61 0.00 -0.57 0.00 0.00 43.02 42.25 1ypf s PHE 36 CO 0.06 0.15 1.79 0.87 -0.10 0.00 0.00 175.22 177.99 1ypf h LYS 37 N 2.91 0.17 -3.83 0.44 1.57 -1.10 -2.46 116.57 114.27 1ypf h LYS 37 Ca -0.37 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.18 1ypf h LYS 37 Cb 1.20 -0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.30 1ypf h LYS 37 CO 0.60 0.49 -0.62 -0.51 -0.57 0.00 0.00 179.45 178.84 1ypf s LEU 38 N -8.36 2.00 -0.08 2.94 1.43 -1.26 -3.60 118.68 111.75 1ypf s LEU 38 Ca -0.04 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1ypf s LEU 38 Cb 0.14 0.33 0.06 0.00 0.03 0.00 0.00 46.19 46.75 1ypf s LEU 38 CO 0.75 -0.36 1.99 -0.81 0.23 0.00 0.00 176.35 178.16 1ypf n PRO 39 N 1.39 1.21 -4.32 1.29 -0.04 -1.26 -4.74 135.00 128.54 1ypf n PRO 39 Ca -0.23 -0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 62.64 1ypf n PRO 39 Cb 0.56 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1ypf n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ypf s VAL 40 N -0.61 1.60 -0.19 0.52 -7.23 -1.26 -0.58 120.40 112.65 1ypf s VAL 40 Ca 0.08 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 1ypf s VAL 40 Cb 0.06 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 35.14 1ypf s VAL 40 CO -0.00 -0.57 0.48 0.54 -0.31 0.00 0.00 175.10 175.24 1ypf s VAL 41 N -2.83 -0.02 0.71 1.32 0.11 -0.29 -4.50 120.40 114.90 1ypf s VAL 41 Ca 0.19 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.14 1ypf s VAL 41 Cb -0.01 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1ypf s VAL 41 CO 0.05 0.02 1.24 -2.84 -3.33 0.00 0.00 175.10 170.25 1ypf s PRO 42 N 1.25 2.24 0.31 1.54 0.02 -1.26 -0.97 135.00 138.12 1ypf s PRO 42 Ca -0.08 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 1ypf s PRO 42 Cb -0.07 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 1ypf s PRO 42 CO -0.12 -1.78 1.58 0.00 -0.33 0.00 0.00 177.00 176.34 1ypf s ALA 43 N -1.77 3.72 -1.55 -1.55 0.00 -0.46 -4.61 121.76 115.54 1ypf s ALA 43 Ca 0.77 1.57 -0.10 0.00 0.00 0.00 0.00 51.96 54.20 1ypf s ALA 43 Cb -0.32 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 1ypf s ALA 43 CO 0.43 -0.99 2.71 0.27 0.00 0.00 0.00 175.76 178.18 1ypf n ASN 44 N 1.91 7.52 -4.13 0.00 6.94 -1.26 -4.20 115.26 122.05 1ypf n ASN 44 Ca 0.07 -2.71 -0.18 0.00 -0.02 0.00 0.00 54.58 51.74 1ypf n ASN 44 Cb 0.38 -1.56 -0.13 0.00 -2.36 0.00 0.00 39.78 36.11 1ypf n ASN 44 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1ypf s MET 45 N 1.99 0.80 0.19 -3.83 -1.94 -1.26 -4.35 119.30 110.90 1ypf s MET 45 Ca 0.62 -0.79 0.21 0.00 -1.71 0.00 0.00 55.69 54.02 1ypf s MET 45 Cb 0.17 -0.77 0.89 0.00 2.01 0.00 0.00 34.83 37.13 1ypf s MET 45 CO -0.07 0.18 1.65 0.00 -0.01 0.00 0.00 175.02 176.77 1ypf n GLN 46 N 1.68 0.15 0.02 2.03 10.64 -1.26 -0.98 117.38 129.66 1ypf n GLN 46 Ca -0.20 0.38 0.13 0.00 -1.83 0.00 0.00 57.00 55.49 1ypf n GLN 46 Cb 0.55 -1.78 0.50 0.00 -0.86 0.00 0.00 30.24 28.65 1ypf n GLN 46 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1ypf n THR 47 N -2.05 0.14 -0.02 -0.39 -2.24 -1.26 -4.41 114.28 104.04 1ypf n THR 47 Ca 0.02 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 1ypf n THR 47 Cb 0.22 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1ypf n THR 47 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ypf n ILE 48 N -1.68 0.28 -4.38 2.28 2.08 -0.15 -4.44 119.36 113.34 1ypf n ILE 48 Ca 0.06 -0.09 -0.28 0.00 0.56 0.00 0.00 62.75 63.01 1ypf n ILE 48 Cb 0.36 -1.14 -0.13 0.00 -0.75 0.00 0.00 39.64 37.99 1ypf n ILE 48 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 1ypf s ILE 49 N -2.09 2.20 0.25 1.39 2.07 -0.20 -4.72 121.20 120.09 1ypf s ILE 49 Ca -0.07 -1.81 0.00 0.00 -1.41 0.00 0.00 60.65 57.37 1ypf s ILE 49 Cb 0.02 -1.97 -0.00 0.00 0.13 0.00 0.00 42.46 40.64 1ypf s ILE 49 CO 0.10 0.00 0.32 -0.90 -1.91 0.00 0.00 174.94 172.55 1ypf n ASP 50 N 0.75 -0.88 0.18 4.50 5.68 -1.26 -4.38 116.55 121.14 1ypf n ASP 50 Ca -0.17 -2.44 0.05 0.00 -0.50 0.00 0.00 54.79 51.73 1ypf n ASP 50 Cb 0.54 1.70 0.26 0.00 -1.14 0.00 0.00 41.12 42.48 1ypf n ASP 50 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ypf h GLU 51 N 0.00 0.00 -0.32 0.11 5.08 -2.00 -0.38 114.58 117.07 1ypf h GLU 51 Ca -0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1ypf h GLU 51 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1ypf h GLU 51 CO 0.26 0.41 0.08 0.00 -1.00 0.00 0.00 179.01 178.77 1ypf h ARG 52 N 0.00 0.50 -0.22 2.33 3.08 -1.98 -1.79 114.38 116.31 1ypf h ARG 52 Ca -0.00 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1ypf h ARG 52 Cb 1.02 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ypf h ARG 52 CO 0.05 0.56 -0.28 0.82 -1.07 0.00 0.00 179.97 180.06 1ypf h ILE 53 N 0.36 1.32 -0.50 2.04 2.04 -1.78 -2.41 117.51 118.57 1ypf h ILE 53 Ca 0.10 -1.47 0.08 0.00 1.00 0.00 0.00 64.86 64.58 1ypf h ILE 53 Cb 0.28 1.76 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1ypf h ILE 53 CO -0.00 0.45 0.10 0.00 0.00 0.00 0.00 178.15 178.71 1ypf h ALA 54 N 0.64 0.56 -0.29 1.87 0.00 -1.09 -0.65 119.26 120.31 1ypf h ALA 54 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ypf h ALA 54 Cb 0.85 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ypf h ALA 54 CO 0.07 -0.31 0.19 1.79 0.00 0.00 0.00 179.25 180.99 1ypf h THR 55 N 0.24 1.08 -0.29 0.00 1.35 -1.25 -1.20 112.91 112.84 1ypf h THR 55 Ca 0.25 -0.17 0.05 0.00 -0.55 0.00 0.00 66.41 65.99 1ypf h THR 55 Cb 0.34 0.68 -0.05 0.00 -1.73 0.00 0.00 68.15 67.39 1ypf h THR 55 CO -0.33 0.08 0.00 0.22 -0.25 0.00 0.00 175.52 175.25 1ypf h TYR 56 N 0.38 -0.01 -0.22 4.73 3.20 -0.99 -0.68 116.97 123.38 1ypf h TYR 56 Ca 0.11 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1ypf h TYR 56 Cb -0.03 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1ypf h TYR 56 CO -0.05 -0.04 0.09 -0.07 -1.64 0.00 0.00 178.16 176.44 1ypf h LEU 57 N 0.09 0.30 -0.60 2.82 3.38 -0.96 -2.84 115.31 117.51 1ypf h LEU 57 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ypf h LEU 57 Cb 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1ypf h LEU 57 CO -0.23 0.38 0.31 0.00 0.09 0.00 0.00 178.44 178.99 1ypf h ALA 58 N 0.93 0.77 0.00 1.53 0.00 -1.03 -1.05 119.26 120.41 1ypf h ALA 58 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ypf h ALA 58 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ypf h ALA 58 CO -0.01 0.31 -0.01 0.93 0.00 0.00 0.00 179.25 180.47 1ypf h GLU 59 N 0.81 0.00 -0.28 0.00 5.08 -1.08 -2.74 114.58 116.37 1ypf h GLU 59 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ypf h GLU 59 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ypf h GLU 59 CO -0.03 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 1ypf n ASN 60 N -3.96 3.83 -1.93 1.42 3.02 -0.93 -4.99 115.26 111.72 1ypf n ASN 60 Ca -0.03 -2.88 -0.17 0.00 -0.03 0.00 0.00 54.58 51.46 1ypf n ASN 60 Cb 0.09 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 1ypf n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ypf n ASN 61 N -0.33 -5.06 -4.89 6.41 4.13 -0.81 -4.83 115.26 109.89 1ypf n ASN 61 Ca 0.20 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.12 1ypf n ASN 61 Cb 0.85 -4.15 -0.05 0.00 -1.54 0.00 0.00 39.78 34.88 1ypf n ASN 61 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1ypf s TYR 62 N -2.85 3.59 0.35 3.10 2.02 -0.46 -0.52 117.35 122.57 1ypf s TYR 62 Ca 0.00 0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 56.96 1ypf s TYR 62 Cb 0.00 -1.95 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 1ypf s TYR 62 CO 0.00 0.67 1.05 0.12 -1.57 0.00 0.00 175.55 175.81 1ypf s PHE 63 N -1.21 3.44 0.05 2.71 5.36 -1.26 -3.83 117.98 123.24 1ypf s PHE 63 Ca 0.23 1.69 -0.07 0.00 -0.96 0.00 0.00 56.93 57.82 1ypf s PHE 63 Cb -0.13 -3.15 -0.01 0.00 -0.34 0.00 0.00 43.02 39.40 1ypf s PHE 63 CO 0.13 -0.47 0.15 1.52 -1.46 0.00 0.00 175.22 175.09 1ypf s TYR 64 N -1.48 0.16 -0.12 10.12 -0.85 -1.26 -4.58 117.35 119.34 1ypf s TYR 64 Ca 0.52 -0.48 -0.01 0.00 -0.52 0.00 0.00 57.07 56.58 1ypf s TYR 64 Cb -0.25 -0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.02 1ypf s TYR 64 CO 0.32 -0.43 -0.05 0.42 -1.52 0.00 0.00 175.55 174.28 1ypf s ILE 65 N -2.99 0.89 0.57 -3.49 1.01 -1.26 -4.72 121.20 111.21 1ypf s ILE 65 Ca -0.02 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 1ypf s ILE 65 Cb 0.01 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 1ypf s ILE 65 CO -0.06 0.28 1.07 -0.04 0.00 0.00 0.00 174.94 176.19 1ypf s MET 66 N 1.75 3.37 0.78 2.79 -1.94 -0.32 -4.32 119.30 121.42 1ypf s MET 66 Ca 0.04 1.33 -0.10 0.00 -1.71 0.00 0.00 55.69 55.25 1ypf s MET 66 Cb -0.13 -2.03 0.08 0.00 2.01 0.00 0.00 34.83 34.75 1ypf s MET 66 CO -0.08 -0.79 1.13 -3.38 -0.01 0.00 0.00 175.02 171.90 1ypf s HIS 67 N -2.22 2.89 -0.18 -0.03 -3.43 -1.26 -3.12 115.29 107.94 1ypf s HIS 67 Ca 0.66 0.63 0.14 0.00 -0.80 0.00 0.00 55.06 55.70 1ypf s HIS 67 Cb -0.18 -3.42 0.37 0.00 -1.43 0.00 0.00 32.58 27.92 1ypf s HIS 67 CO 0.32 -1.69 1.19 2.89 -2.00 0.00 0.00 174.74 175.45 1ypf n ARG 68 N -3.20 1.46 -2.34 -0.38 1.85 -1.26 -4.59 116.66 108.19 1ypf n ARG 68 Ca 0.08 -3.01 -0.40 0.00 -1.00 0.00 0.00 57.85 53.52 1ypf n ARG 68 Cb 0.61 -1.57 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1ypf n ARG 68 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1ypf s PHE 69 N -3.09 3.34 -1.19 2.89 5.36 -1.26 -3.46 117.98 120.57 1ypf s PHE 69 Ca 0.36 1.59 -0.09 0.00 -0.96 0.00 0.00 56.93 57.82 1ypf s PHE 69 Cb 0.33 -3.41 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 1ypf s PHE 69 CO -0.03 -1.05 0.78 1.04 -1.46 0.00 0.00 175.22 174.50 1ypf n GLN 70 N 0.87 -2.87 0.33 10.12 6.02 -1.26 -4.87 117.38 125.72 1ypf n GLN 70 Ca 0.00 0.61 0.22 0.00 -0.01 0.00 0.00 57.00 57.82 1ypf n GLN 70 Cb 0.44 -4.90 1.16 0.00 1.02 0.00 0.00 30.24 27.96 1ypf n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ypf h PRO 71 N -1.71 0.00 0.00 -1.09 0.13 -1.94 -1.74 132.00 125.66 1ypf h PRO 71 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1ypf h PRO 71 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ypf h PRO 71 CO 0.51 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.43 1ypf n GLU 72 N -3.16 0.13 0.01 0.86 0.00 -1.26 -2.52 120.64 114.71 1ypf n GLU 72 Ca -0.03 0.41 0.13 0.00 0.00 0.00 0.00 57.16 57.67 1ypf n GLU 72 Cb 0.09 -1.78 0.40 0.00 0.00 0.00 0.00 31.44 30.16 1ypf n GLU 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ypf n LYS 73 N -2.03 0.05 -0.22 3.44 5.02 -0.65 -4.44 118.16 119.32 1ypf n LYS 73 Ca 0.02 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 1ypf n LYS 73 Cb 0.18 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 33.68 1ypf n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ypf h ARG 74 N 0.00 0.97 -0.49 1.97 3.08 -1.69 -1.89 114.38 116.32 1ypf h ARG 74 Ca 0.00 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 1ypf h ARG 74 Cb 0.54 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1ypf h ARG 74 CO 0.00 0.87 -0.07 0.97 -1.07 0.00 0.00 179.97 180.67 1ypf h ILE 75 N 0.89 1.26 0.01 2.04 2.10 -1.82 -0.94 117.51 121.04 1ypf h ILE 75 Ca 0.20 -1.15 -0.21 0.00 1.08 0.00 0.00 64.86 64.78 1ypf h ILE 75 Cb 0.32 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 1ypf h ILE 75 CO -0.00 0.40 -0.91 0.77 -1.08 0.00 0.00 178.15 177.33 1ypf h SER 76 N 0.80 0.30 -0.17 2.19 4.64 -1.85 -1.50 113.55 117.96 1ypf h SER 76 Ca 0.14 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1ypf h SER 76 Cb 0.57 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1ypf h SER 76 CO 0.03 1.06 -0.20 0.15 -0.87 0.00 0.00 176.83 177.00 1ypf h PHE 77 N 0.12 -0.53 0.11 4.77 3.57 -0.99 0.32 116.94 124.31 1ypf h PHE 77 Ca -0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ypf h PHE 77 Cb 1.55 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 40.52 1ypf h PHE 77 CO 0.03 -0.28 -0.20 0.82 -2.23 0.00 0.00 178.31 176.45 1ypf h ILE 78 N -0.24 0.55 -0.23 1.41 2.04 -1.09 0.39 117.51 120.34 1ypf h ILE 78 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1ypf h ILE 78 Cb 0.41 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1ypf h ILE 78 CO -0.31 0.00 -0.23 0.03 0.00 0.00 0.00 178.15 177.64 1ypf h ARG 79 N -0.38 -0.23 -0.44 2.37 3.08 -1.07 -1.46 114.38 116.25 1ypf h ARG 79 Ca 0.03 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1ypf h ARG 79 Cb 0.40 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ypf h ARG 79 CO -0.11 -0.16 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.06 1ypf h ASP 80 N -0.24 0.82 -0.15 7.04 3.32 -0.02 -1.64 116.42 125.54 1ypf h ASP 80 Ca 0.13 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1ypf h ASP 80 Cb 0.44 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1ypf h ASP 80 CO -0.37 0.97 0.04 0.24 -1.72 0.00 0.00 179.24 178.41 1ypf h MET 81 N 0.74 0.24 0.00 3.56 2.86 -0.76 -3.00 114.93 118.58 1ypf h MET 81 Ca 0.12 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1ypf h MET 81 Cb 0.64 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1ypf h MET 81 CO 0.04 0.38 -0.43 1.96 1.06 0.00 0.00 176.91 179.92 1ypf h GLN 82 N 0.06 0.00 0.00 1.72 4.20 -1.16 -0.09 115.11 119.84 1ypf h GLN 82 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ypf h GLN 82 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ypf h GLN 82 CO -0.00 0.43 0.00 0.66 -0.67 0.00 0.00 178.83 179.25 1ypf h SER 83 N 0.00 0.00 -0.64 1.46 4.64 -1.30 -2.18 113.55 115.54 1ypf h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ypf h SER 83 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1ypf h SER 83 CO 0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 1ypf n ARG 84 N -2.39 3.14 -1.91 4.77 1.74 -0.51 -4.95 116.66 116.56 1ypf n ARG 84 Ca 0.03 -2.68 -0.13 0.00 -0.77 0.00 0.00 57.85 54.29 1ypf n ARG 84 Cb 0.30 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1ypf n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ypf n GLY 85 N 1.23 0.44 3.63 -0.13 0.00 -0.82 -5.02 105.19 104.53 1ypf n GLY 85 Ca 0.23 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1ypf n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ypf s LEU 86 N -3.50 3.21 0.24 0.99 1.43 -0.17 -5.00 118.68 115.89 1ypf s LEU 86 Ca 0.00 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1ypf s LEU 86 Cb 0.00 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 1ypf s LEU 86 CO 0.00 0.12 1.44 -0.63 0.23 0.00 0.00 176.35 177.51 1ypf s ILE 87 N -1.58 2.69 -0.30 -0.59 1.01 -1.26 -3.53 121.20 117.63 1ypf s ILE 87 Ca 0.26 0.57 -0.11 0.00 0.00 0.00 0.00 60.65 61.37 1ypf s ILE 87 Cb -0.10 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1ypf s ILE 87 CO 0.17 0.09 0.19 0.00 0.00 0.00 0.00 174.94 175.39 1ypf s ALA 88 N 0.06 3.45 -0.23 9.38 0.00 -1.26 -4.88 121.76 128.28 1ypf s ALA 88 Ca 0.60 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1ypf s ALA 88 Cb -0.42 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.29 1ypf s ALA 88 CO 0.42 -0.74 0.05 0.45 0.00 0.00 0.00 175.76 175.95 1ypf s SER 89 N 1.71 3.22 0.43 0.00 0.15 -1.26 -1.63 113.70 116.33 1ypf s SER 89 Ca 0.06 -1.03 0.06 0.00 0.70 0.00 0.00 55.95 55.74 1ypf s SER 89 Cb -0.17 -0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 63.43 1ypf s SER 89 CO 0.09 -0.33 0.13 0.27 1.20 0.00 0.00 173.24 174.60 1ypf s ILE 90 N 1.80 2.03 0.04 6.45 -4.36 -0.68 -1.17 121.20 125.31 1ypf s ILE 90 Ca 0.02 -1.80 0.06 0.00 -0.26 0.00 0.00 60.65 58.66 1ypf s ILE 90 Cb -0.17 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 1ypf s ILE 90 CO -0.13 0.00 -0.14 -0.44 0.24 0.00 0.00 174.94 174.47 1ypf s SER 91 N -3.88 4.13 0.08 4.36 0.01 -1.18 -0.75 113.70 116.47 1ypf s SER 91 Ca 0.34 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.29 1ypf s SER 91 Cb 0.05 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1ypf s SER 91 CO 0.19 0.25 -0.09 0.68 0.41 0.00 0.00 173.24 174.68 1ypf s VAL 92 N -0.99 0.78 0.00 3.43 -7.23 0.03 -4.69 120.40 111.73 1ypf s VAL 92 Ca 0.16 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1ypf s VAL 92 Cb -0.11 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.69 1ypf s VAL 92 CO 0.07 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1ypf n GLY 93 N 0.82 1.20 0.00 2.32 0.00 -1.26 -1.78 105.19 106.48 1ypf n GLY 93 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ypf n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ypf n VAL 94 N 0.00 0.00 -1.47 1.61 0.24 -1.26 -4.88 118.33 112.57 1ypf n VAL 94 Ca 0.00 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 1ypf n VAL 94 Cb 0.00 1.24 0.12 0.00 -1.47 0.00 0.00 33.84 33.73 1ypf n VAL 94 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ypf s LYS 95 N -0.08 1.55 0.23 7.34 1.02 -1.26 -4.91 119.74 123.63 1ypf s LYS 95 Ca 0.00 0.55 -0.07 0.00 0.02 0.00 0.00 55.97 56.47 1ypf s LYS 95 Cb 0.00 -1.86 0.38 0.00 -0.52 0.00 0.00 37.83 35.83 1ypf s LYS 95 CO 0.00 -1.97 1.71 1.49 -0.92 0.00 0.00 175.35 175.66 1ypf h GLU 96 N -1.34 0.31 0.00 1.68 4.81 -2.01 -0.56 114.58 117.47 1ypf h GLU 96 Ca -0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1ypf h GLU 96 Cb 1.30 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1ypf h GLU 96 CO 0.59 0.21 -0.05 0.38 -0.73 0.00 0.00 179.01 179.41 1ypf h ASP 97 N 0.32 0.00 0.68 1.04 2.03 -2.00 -0.28 116.42 118.21 1ypf h ASP 97 Ca 0.37 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.60 1ypf h ASP 97 Cb 0.57 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.06 1ypf h ASP 97 CO -0.43 0.05 -0.34 -0.33 -1.03 0.00 0.00 179.24 177.16 1ypf h GLU 98 N 0.00 0.00 -0.39 4.15 4.39 -1.45 -0.94 114.58 120.34 1ypf h GLU 98 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1ypf h GLU 98 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1ypf h GLU 98 CO 0.01 0.34 -0.05 1.88 -1.16 0.00 0.00 179.01 180.03 1ypf h TYR 99 N 0.00 0.69 -0.00 4.33 0.05 -1.01 -2.04 116.97 118.98 1ypf h TYR 99 Ca -0.00 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1ypf h TYR 99 Cb 0.78 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1ypf h TYR 99 CO 0.00 0.69 -0.01 1.49 -1.05 0.00 0.00 178.16 179.28 1ypf h GLU 100 N 0.61 0.01 -0.80 4.88 4.81 -1.34 -2.68 114.58 120.06 1ypf h GLU 100 Ca 0.12 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1ypf h GLU 100 Cb 0.45 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.70 1ypf h GLU 100 CO 0.02 0.63 -0.37 0.35 -0.73 0.00 0.00 179.01 178.91 1ypf h PHE 101 N -0.62 -1.04 -0.88 0.92 3.57 -1.12 0.49 116.94 118.26 1ypf h PHE 101 Ca -0.00 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1ypf h PHE 101 Cb 0.63 0.57 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1ypf h PHE 101 CO 0.14 -0.40 0.55 0.28 -2.23 0.00 0.00 178.31 176.66 1ypf h VAL 102 N -0.08 1.03 -0.21 1.41 2.07 -1.37 -1.61 116.25 117.48 1ypf h VAL 102 Ca 0.29 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 1ypf h VAL 102 Cb 0.57 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ypf h VAL 102 CO -0.84 0.18 -0.51 1.56 0.02 0.00 0.00 177.57 177.99 1ypf h GLN 103 N 0.98 0.58 -0.77 1.57 4.20 -0.76 -2.35 115.11 118.56 1ypf h GLN 103 Ca 0.39 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1ypf h GLN 103 Cb 0.21 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1ypf h GLN 103 CO -0.19 0.95 0.49 1.96 -0.67 0.00 0.00 178.83 181.38 1ypf h GLN 104 N 0.46 0.93 -0.38 1.46 1.08 -0.45 -1.07 115.11 117.14 1ypf h GLN 104 Ca 0.02 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ypf h GLN 104 Cb 1.04 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1ypf h GLN 104 CO 0.10 0.62 0.23 -0.07 -0.95 0.00 0.00 178.83 178.75 1ypf h LEU 105 N 0.96 0.46 -1.27 1.46 3.38 -1.06 -2.24 115.31 117.00 1ypf h LEU 105 Ca 0.31 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1ypf h LEU 105 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ypf h LEU 105 CO -0.11 0.39 -0.34 0.00 0.09 0.00 0.00 178.44 178.46 1ypf h ALA 106 N 1.09 1.39 -0.07 1.53 0.00 -1.09 0.31 119.26 122.43 1ypf h ALA 106 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ypf h ALA 106 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ypf h ALA 106 CO -0.02 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.69 1ypf h ALA 107 N 1.62 0.10 -0.28 0.00 0.00 -0.77 -0.75 119.26 119.17 1ypf h ALA 107 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ypf h ALA 107 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ypf h ALA 107 CO 0.05 -0.26 0.23 0.93 0.00 0.00 0.00 179.25 180.19 1ypf h GLU 108 N -0.12 0.00 -1.87 0.00 4.39 -1.28 -3.46 114.58 112.24 1ypf h GLU 108 Ca 0.02 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1ypf h GLU 108 Cb 0.28 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1ypf h GLU 108 CO 0.00 0.00 -0.11 0.72 -1.16 0.00 0.00 179.01 178.46 1ypf n HIS 109 N -4.17 -0.48 -3.85 4.33 8.25 -0.29 -5.04 115.22 113.97 1ypf n HIS 109 Ca 0.04 0.17 -0.35 0.00 -0.26 0.00 0.00 57.72 57.32 1ypf n HIS 109 Cb 0.39 -1.74 -0.13 0.00 1.12 0.00 0.00 29.99 29.63 1ypf n HIS 109 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ypf s LEU 110 N -2.11 5.02 -0.37 2.41 2.96 0.10 -4.99 118.68 121.71 1ypf s LEU 110 Ca 0.09 -2.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.01 1ypf s LEU 110 Cb -0.04 -1.77 0.10 0.00 0.50 0.00 0.00 46.19 44.98 1ypf s LEU 110 CO 0.12 -0.48 0.11 -0.89 -1.32 0.00 0.00 176.35 173.90 1ypf s THR 111 N 1.09 2.80 0.41 3.68 2.01 -1.26 -4.50 115.64 119.87 1ypf s THR 111 Ca 0.08 -2.11 -0.26 0.00 0.31 0.00 0.00 61.69 59.70 1ypf s THR 111 Cb -0.22 -2.94 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 1ypf s THR 111 CO -0.05 -0.58 1.36 -2.65 -0.69 0.00 0.00 174.62 172.01 1ypf n PRO 112 N 4.45 2.20 -0.17 4.92 -0.02 -1.26 -4.91 135.00 140.20 1ypf n PRO 112 Ca -0.01 0.78 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1ypf n PRO 112 Cb 0.42 -2.50 0.15 0.00 -0.02 0.00 0.00 33.50 31.54 1ypf n PRO 112 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ypf h GLU 113 N 2.39 0.93 -4.38 -0.52 3.07 -1.65 -3.38 114.58 111.03 1ypf h GLU 113 Ca -0.49 -0.20 -0.38 0.00 -0.50 0.00 0.00 59.36 57.79 1ypf h GLU 113 Cb 1.27 -0.13 -0.30 0.00 -0.84 0.00 0.00 28.75 28.75 1ypf h GLU 113 CO 0.61 0.83 -0.77 0.71 -1.40 0.00 0.00 179.01 178.99 1ypf s TYR 114 N -5.24 0.70 -0.09 4.33 2.02 -1.07 -0.85 117.35 117.15 1ypf s TYR 114 Ca -0.10 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1ypf s TYR 114 Cb 0.15 -0.51 0.01 0.00 -0.40 0.00 0.00 41.96 41.22 1ypf s TYR 114 CO 0.82 -0.07 -0.13 0.42 -1.57 0.00 0.00 175.55 175.02 1ypf s ILE 115 N 0.18 1.27 -0.26 2.71 1.01 -0.30 -1.69 121.20 124.12 1ypf s ILE 115 Ca -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1ypf s ILE 115 Cb -0.07 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 1ypf s ILE 115 CO -0.00 0.39 0.03 -0.89 0.00 0.00 0.00 174.94 174.47 1ypf s THR 116 N 0.89 3.80 -0.31 2.92 2.01 0.07 -1.12 115.64 123.91 1ypf s THR 116 Ca -0.10 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1ypf s THR 116 Cb -0.15 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1ypf s THR 116 CO 0.01 0.25 0.95 -0.63 -0.69 0.00 0.00 174.62 174.51 1ypf s ILE 117 N 1.51 4.64 -0.69 1.82 1.01 0.04 -0.79 121.20 128.74 1ypf s ILE 117 Ca 0.04 1.52 0.05 0.00 0.00 0.00 0.00 60.65 62.26 1ypf s ILE 117 Cb -0.16 -4.29 0.18 0.00 0.01 0.00 0.00 42.46 38.20 1ypf s ILE 117 CO 0.01 -0.36 0.52 -0.67 0.00 0.00 0.00 174.94 174.43 1ypf n ASP 118 N 6.54 2.96 -4.12 3.58 4.64 -0.74 -2.38 116.55 127.05 1ypf n ASP 118 Ca 0.08 -3.20 -0.25 0.00 -1.38 0.00 0.00 54.79 50.04 1ypf n ASP 118 Cb 0.47 -0.74 -0.16 0.00 -1.04 0.00 0.00 41.12 39.65 1ypf n ASP 118 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1ypf s ILE 119 N -1.52 1.29 0.12 5.18 -1.09 -1.05 -4.78 121.20 119.35 1ypf s ILE 119 Ca 0.27 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.84 1ypf s ILE 119 Cb -0.02 -1.11 -0.06 0.00 -1.58 0.00 0.00 42.46 39.69 1ypf s ILE 119 CO -0.16 0.37 1.78 0.00 -1.23 0.00 0.00 174.94 175.71 1ypf h ALA 120 N 6.13 0.27 -2.69 9.38 0.00 -1.90 0.38 119.26 130.83 1ypf h ALA 120 Ca -0.34 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.86 1ypf h ALA 120 Cb 1.17 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.52 1ypf h ALA 120 CO 0.48 -0.26 -0.07 1.58 0.00 0.00 0.00 179.25 180.98 1ypf n HIS 121 N -4.94 3.98 0.91 0.00 -0.00 -1.26 -4.42 115.22 109.48 1ypf n HIS 121 Ca -0.03 -4.00 0.13 0.00 -0.00 0.00 0.00 57.72 53.82 1ypf n HIS 121 Cb 0.03 -1.08 0.57 0.00 -0.00 0.00 0.00 29.99 29.51 1ypf n HIS 121 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ypf n GLY 122 N 2.04 -1.45 3.57 1.57 0.00 -0.10 -4.46 105.19 106.37 1ypf n GLY 122 Ca 0.23 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1ypf n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ypf s HIS 123 N -3.01 2.31 -0.02 1.61 5.65 -1.25 -4.68 115.29 115.91 1ypf s HIS 123 Ca 0.13 -0.44 -0.29 0.00 0.25 0.00 0.00 55.06 54.71 1ypf s HIS 123 Cb 0.17 -4.40 0.07 0.00 -1.18 0.00 0.00 32.58 27.24 1ypf s HIS 123 CO 0.50 -1.67 0.64 -1.54 -0.65 0.00 0.00 174.74 172.03 1ypf s SER 124 N 5.76 -0.61 0.49 9.88 1.04 -1.26 -5.04 113.70 123.96 1ypf s SER 124 Ca 0.59 0.56 0.15 0.00 0.48 0.00 0.00 55.95 57.73 1ypf s SER 124 Cb -0.00 0.53 1.16 0.00 0.10 0.00 0.00 66.02 67.81 1ypf s SER 124 CO 0.03 -0.65 2.09 0.78 0.98 0.00 0.00 173.24 176.47 1ypf h ASN 125 N 2.91 0.02 -0.40 7.02 2.35 -1.97 -2.19 115.58 123.32 1ypf h ASN 125 Ca -0.28 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1ypf h ASN 125 Cb 1.17 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1ypf h ASN 125 CO 0.39 0.08 0.10 0.00 -1.65 0.00 0.00 177.43 176.35 1ypf h ALA 126 N 1.93 1.29 -0.05 -0.83 0.00 -1.95 0.12 119.26 119.77 1ypf h ALA 126 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ypf h ALA 126 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ypf h ALA 126 CO 0.01 0.49 -0.05 0.28 0.00 0.00 0.00 179.25 179.98 1ypf h VAL 127 N 0.69 1.37 -0.36 0.00 2.07 -1.74 -2.74 116.25 115.55 1ypf h VAL 127 Ca 0.15 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.53 1ypf h VAL 127 Cb 0.28 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1ypf h VAL 127 CO -0.00 0.32 0.07 0.40 0.02 0.00 0.00 177.57 178.38 1ypf h ILE 128 N -0.33 0.81 -0.88 4.57 2.04 -1.27 0.76 117.51 123.21 1ypf h ILE 128 Ca 0.01 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1ypf h ILE 128 Cb 0.55 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1ypf h ILE 128 CO 0.01 0.03 0.58 0.78 0.00 0.00 0.00 178.15 179.56 1ypf h ASN 129 N 0.19 0.99 -0.24 1.72 2.35 -1.06 -2.09 115.58 117.44 1ypf h ASN 129 Ca 0.17 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1ypf h ASN 129 Cb 0.20 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1ypf h ASN 129 CO -0.23 0.70 -0.22 -0.03 -1.65 0.00 0.00 177.43 176.00 1ypf h MET 130 N 1.16 0.70 -0.31 0.81 4.05 -1.08 -0.61 114.93 119.66 1ypf h MET 130 Ca 0.33 -0.28 0.05 0.00 -0.28 0.00 0.00 59.70 59.53 1ypf h MET 130 Cb -0.08 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.63 1ypf h MET 130 CO -0.09 0.87 0.01 0.82 0.23 0.00 0.00 176.91 178.75 1ypf h ILE 131 N 0.62 0.79 -0.50 1.77 2.04 -0.62 -1.50 117.51 120.11 1ypf h ILE 131 Ca 0.09 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1ypf h ILE 131 Cb 0.71 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1ypf h ILE 131 CO 0.05 0.02 -0.01 1.56 0.00 0.00 0.00 178.15 179.77 1ypf h GLN 132 N 0.11 0.85 -0.39 2.37 4.20 -1.16 -0.83 115.11 120.26 1ypf h GLN 132 Ca 0.15 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1ypf h GLN 132 Cb 0.19 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1ypf h GLN 132 CO -0.24 0.86 0.16 1.25 -0.67 0.00 0.00 178.83 180.19 1ypf h HIS 133 N 0.79 0.58 -0.36 2.96 2.76 -0.91 -1.62 115.15 119.35 1ypf h HIS 133 Ca 0.15 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 1ypf h HIS 133 Cb 0.49 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1ypf h HIS 133 CO 0.03 0.52 -0.04 0.82 -1.30 0.00 0.00 177.93 177.96 1ypf h ILE 134 N 0.48 1.27 -0.73 6.26 2.04 -1.02 -1.97 117.51 123.83 1ypf h ILE 134 Ca 0.13 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1ypf h ILE 134 Cb 0.18 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1ypf h ILE 134 CO -0.01 0.35 0.35 0.11 0.00 0.00 0.00 178.15 178.95 1ypf h LYS 135 N 0.47 1.05 0.35 2.37 1.79 -1.00 0.39 116.57 121.99 1ypf h LYS 135 Ca 0.10 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1ypf h LYS 135 Cb 0.52 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ypf h LYS 135 CO 0.03 0.82 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.82 1ypf h LYS 136 N 1.04 -0.45 0.16 3.15 3.64 -1.20 -3.24 116.57 119.66 1ypf h LYS 136 Ca 0.25 0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.33 1ypf h LYS 136 Cb 0.12 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1ypf h LYS 136 CO -0.03 -0.18 -1.64 0.45 -2.27 0.00 0.00 179.45 175.78 1ypf h HIS 137 N -0.68 0.60 -2.20 1.91 3.86 -1.19 -3.40 115.15 114.05 1ypf h HIS 137 Ca -0.05 -0.44 -0.58 0.00 -1.16 0.00 0.00 60.37 58.14 1ypf h HIS 137 Cb 0.48 -0.02 -0.42 0.00 1.06 0.00 0.00 27.41 28.51 1ypf h HIS 137 CO -0.00 1.53 -0.71 1.28 0.86 0.00 0.00 177.93 180.89 1ypf n LEU 138 N -3.52 3.56 0.24 2.43 4.77 0.13 -4.79 117.00 119.83 1ypf n LEU 138 Ca -0.20 -5.46 0.16 0.00 -0.03 0.00 0.00 56.01 50.48 1ypf n LEU 138 Cb 1.06 -0.39 0.77 0.00 -2.33 0.00 0.00 43.42 42.53 1ypf n LEU 138 CO 0.51 2.22 0.99 1.55 -1.33 0.00 0.00 177.39 181.33 1ypf h PRO 139 N 3.51 0.00 -0.02 3.23 0.13 -1.64 -1.88 132.00 135.33 1ypf h PRO 139 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ypf h PRO 139 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1ypf h PRO 139 CO 0.77 0.00 -0.08 0.39 -0.23 0.00 0.00 178.00 178.85 1ypf n GLU 140 N -2.75 1.62 -2.53 0.86 1.02 -1.26 -4.88 120.64 112.72 1ypf n GLU 140 Ca -0.00 -1.09 -0.41 0.00 -0.02 0.00 0.00 57.16 55.64 1ypf n GLU 140 Cb 0.18 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1ypf n GLU 140 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ypf s SER 141 N -2.13 7.26 -0.25 1.62 0.01 -0.71 -4.89 113.70 114.61 1ypf s SER 141 Ca 0.32 2.03 -0.28 0.00 1.31 0.00 0.00 55.95 59.34 1ypf s SER 141 Cb 0.20 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1ypf s SER 141 CO 0.38 -0.24 0.98 0.12 0.41 0.00 0.00 173.24 174.88 1ypf s PHE 142 N 0.02 3.30 -0.29 2.43 5.36 -0.03 -4.90 117.98 123.87 1ypf s PHE 142 Ca 0.51 1.31 -0.10 0.00 -0.96 0.00 0.00 56.93 57.69 1ypf s PHE 142 Cb -0.28 -3.27 -0.03 0.00 -0.34 0.00 0.00 43.02 39.10 1ypf s PHE 142 CO 0.33 -0.51 0.14 0.08 -1.46 0.00 0.00 175.22 173.81 1ypf s VAL 143 N 3.16 4.76 -0.23 3.12 1.01 -1.26 -1.15 120.40 129.81 1ypf s VAL 143 Ca 0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1ypf s VAL 143 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1ypf s VAL 143 CO 0.08 0.19 0.12 -0.63 0.00 0.00 0.00 175.10 174.87 1ypf s ILE 144 N 1.66 5.06 0.04 2.22 1.01 -0.28 0.08 121.20 131.00 1ypf s ILE 144 Ca 0.06 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1ypf s ILE 144 Cb -0.16 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1ypf s ILE 144 CO 0.07 0.38 -0.21 0.00 0.00 0.00 0.00 174.94 175.18 1ypf s ALA 145 N 0.95 1.79 0.00 9.38 0.00 -0.21 -0.78 121.76 132.89 1ypf s ALA 145 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1ypf s ALA 145 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1ypf s ALA 145 CO 0.03 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1ypf n GLY 146 N 1.86 -1.06 3.84 0.00 0.00 -1.00 -1.40 105.19 107.43 1ypf n GLY 146 Ca -0.17 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1ypf n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ypf s ASN 147 N -4.00 6.86 0.26 1.61 -0.87 0.13 -2.54 114.94 116.39 1ypf s ASN 147 Ca 0.00 1.23 0.08 0.00 -1.57 0.00 0.00 52.86 52.59 1ypf s ASN 147 Cb 0.00 -2.35 -0.05 0.00 -0.02 0.00 0.00 41.25 38.83 1ypf s ASN 147 CO 0.00 -0.04 -0.10 0.68 -2.57 0.00 0.00 177.10 175.07 1ypf s VAL 148 N -1.69 1.80 -0.00 1.60 -7.23 -0.40 -0.92 120.40 113.56 1ypf s VAL 148 Ca 0.46 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1ypf s VAL 148 Cb -0.14 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1ypf s VAL 148 CO 0.19 -0.38 0.63 0.61 -0.31 0.00 0.00 175.10 175.84 1ypf n GLY 149 N -0.55 -1.57 3.10 2.32 0.00 -1.26 -0.96 105.19 106.26 1ypf n GLY 149 Ca -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1ypf n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ypf s THR 150 N -0.23 0.47 0.26 2.61 -4.23 -1.26 -4.92 115.64 108.34 1ypf s THR 150 Ca 0.00 -1.53 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1ypf s THR 150 Cb 0.00 -1.15 0.14 0.00 1.34 0.00 0.00 72.50 72.83 1ypf s THR 150 CO 0.00 -0.71 1.79 1.55 -0.54 0.00 0.00 174.62 176.71 1ypf h PRO 151 N 3.66 0.85 -0.89 3.99 0.13 -1.86 -1.84 132.00 136.05 1ypf h PRO 151 Ca -0.35 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1ypf h PRO 151 Cb 1.18 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1ypf h PRO 151 CO 0.55 0.79 0.56 1.05 -0.23 0.00 0.00 178.00 180.72 1ypf h GLU 152 N 0.81 1.19 -0.26 0.86 9.09 -1.96 -1.57 114.58 122.75 1ypf h GLU 152 Ca 0.17 -0.09 -0.04 0.00 0.05 0.00 0.00 59.36 59.46 1ypf h GLU 152 Cb 0.35 -0.26 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1ypf h GLU 152 CO 0.00 0.81 0.02 0.00 0.05 0.00 0.00 179.01 179.90 1ypf h ALA 153 N 1.40 0.35 -0.46 1.06 0.00 -1.87 -2.14 119.26 117.60 1ypf h ALA 153 Ca 0.32 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ypf h ALA 153 Cb -0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 1ypf h ALA 153 CO -0.06 0.05 -0.03 0.28 0.00 0.00 0.00 179.25 179.49 1ypf h VAL 154 N 0.24 0.62 -0.66 0.00 2.07 -1.24 -1.50 116.25 115.78 1ypf h VAL 154 Ca 0.08 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ypf h VAL 154 Cb 0.37 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ypf h VAL 154 CO 0.01 0.02 0.26 0.03 0.02 0.00 0.00 177.57 177.90 1ypf h ARG 155 N 0.08 0.99 -0.42 1.57 3.08 -1.22 -0.11 114.38 118.35 1ypf h ARG 155 Ca 0.23 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1ypf h ARG 155 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ypf h ARG 155 CO -0.40 0.83 -0.15 1.49 -1.07 0.00 0.00 179.97 180.67 1ypf h GLU 156 N 0.93 0.84 -0.49 0.04 4.81 -1.10 -0.30 114.58 119.32 1ypf h GLU 156 Ca 0.22 -0.34 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1ypf h GLU 156 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1ypf h GLU 156 CO -0.02 0.98 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.96 1ypf h LEU 157 N 0.66 1.03 -0.52 1.64 3.38 -1.10 -1.00 115.31 119.40 1ypf h LEU 157 Ca 0.10 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1ypf h LEU 157 Cb 0.70 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ypf h LEU 157 CO 0.05 1.19 0.28 -0.33 0.09 0.00 0.00 178.44 179.72 1ypf h GLU 158 N 0.86 0.72 0.00 1.13 5.08 -0.90 -1.91 114.58 119.56 1ypf h GLU 158 Ca 0.11 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1ypf h GLU 158 Cb 0.79 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ypf h GLU 158 CO 0.07 0.57 -0.43 -0.91 -1.00 0.00 0.00 179.01 177.30 1ypf h ASN 159 N 0.69 0.00 0.48 1.42 2.35 -0.97 -2.15 115.58 117.40 1ypf h ASN 159 Ca 0.18 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1ypf h ASN 159 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1ypf h ASN 159 CO -0.03 0.43 -0.14 0.00 -1.65 0.00 0.00 177.43 176.04 1ypf h ALA 160 N 1.57 1.22 0.00 -0.83 0.00 -0.93 -3.47 119.26 116.81 1ypf h ALA 160 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ypf h ALA 160 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ypf h ALA 160 CO 0.06 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1ypf n GLY 161 N -0.50 0.26 3.75 0.00 0.00 -0.81 -4.55 105.19 103.34 1ypf n GLY 161 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1ypf n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypf n ALA 162 N 0.00 2.34 0.19 4.61 0.00 -0.75 -4.89 120.51 122.01 1ypf n ALA 162 Ca 0.00 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.91 1ypf n ALA 162 Cb 0.00 -2.43 0.12 0.00 0.00 0.00 0.00 19.45 17.14 1ypf n ALA 162 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ypf h ASP 163 N 3.99 0.00 -5.06 0.00 3.32 -0.70 -3.42 116.42 114.55 1ypf h ASP 163 Ca -0.48 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 1ypf h ASP 163 Cb 1.24 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 1ypf h ASP 163 CO 0.73 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.30 1ypf s ALA 164 N -3.22 -1.10 0.17 3.45 0.00 -0.60 -4.02 121.76 116.43 1ypf s ALA 164 Ca 0.05 0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.19 1ypf s ALA 164 Cb 0.06 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1ypf s ALA 164 CO 0.70 -0.68 -0.21 0.95 0.00 0.00 0.00 175.76 176.53 1ypf s THR 165 N -3.79 2.00 -0.22 0.00 -4.23 -0.93 -1.04 115.64 107.43 1ypf s THR 165 Ca 0.02 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1ypf s THR 165 Cb 0.01 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1ypf s THR 165 CO -0.12 -0.20 -0.11 -0.75 -0.54 0.00 0.00 174.62 172.90 1ypf s LYS 166 N -2.61 2.95 -0.20 3.99 2.20 -0.49 -0.74 119.74 124.84 1ypf s LYS 166 Ca 0.16 -0.88 -0.08 0.00 -0.36 0.00 0.00 55.97 54.81 1ypf s LYS 166 Cb -0.07 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1ypf s LYS 166 CO 0.07 -0.30 0.07 0.08 -0.36 0.00 0.00 175.35 174.91 1ypf s VAL 167 N 1.32 4.72 0.00 4.02 1.01 -0.05 -1.27 120.40 130.15 1ypf s VAL 167 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1ypf s VAL 167 Cb -0.15 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1ypf s VAL 167 CO -0.08 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1ypf n GLY 168 N 3.92 3.44 2.87 4.51 0.00 -0.14 -0.60 105.19 119.20 1ypf n GLY 168 Ca -0.16 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1ypf n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ypf s ILE 169 N 0.00 1.78 -1.03 -0.61 -1.09 -1.26 -4.43 121.20 114.55 1ypf s ILE 169 Ca 0.00 -2.30 -0.15 0.00 -2.23 0.00 0.00 60.65 55.97 1ypf s ILE 169 Cb 0.00 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 1ypf s ILE 169 CO 0.00 -0.71 0.76 0.61 -1.23 0.00 0.00 174.94 174.37 1ypf n GLY 170 N 4.07 -1.08 0.29 6.18 0.00 -1.26 -1.12 105.19 112.27 1ypf n GLY 170 Ca 0.03 0.48 0.19 0.00 0.00 0.00 0.00 46.02 46.73 1ypf n GLY 170 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ypf h PRO 171 N -1.32 0.00 -6.77 1.61 0.13 -1.85 -2.25 132.00 121.55 1ypf h PRO 171 Ca -0.57 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.05 1ypf h PRO 171 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 1ypf h PRO 171 CO 0.44 0.00 0.52 0.20 -0.23 0.00 0.00 178.00 178.93 1ypf s GLY 172 N -4.14 2.93 0.53 1.56 0.00 -1.26 -3.57 107.32 103.37 1ypf s GLY 172 Ca -0.01 0.96 0.20 0.00 0.00 0.00 0.00 44.72 45.88 1ypf s GLY 172 CO 0.49 1.67 2.13 0.50 0.00 0.00 0.00 173.10 177.90 1ypf h LYS 173 N 4.25 0.00 0.00 2.90 6.56 -1.93 -2.27 116.57 126.08 1ypf h LYS 173 Ca -0.46 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.09 1ypf h LYS 173 Cb 1.21 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.78 1ypf h LYS 173 CO 0.69 0.00 -0.63 1.33 -2.06 0.00 0.00 179.45 178.79 1ypf n VAL 174 N -4.38 1.68 -1.67 0.50 0.24 -1.26 -4.82 118.33 108.62 1ypf n VAL 174 Ca -0.00 -2.71 -0.31 0.00 -2.04 0.00 0.00 64.34 59.28 1ypf n VAL 174 Cb 0.19 0.06 0.04 0.00 -1.47 0.00 0.00 33.84 32.66 1ypf n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ypf h ILE 176 N -0.61 1.23 -0.13 0.00 1.08 -1.96 -2.30 117.51 114.82 1ypf h ILE 176 Ca -0.44 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1ypf h ILE 176 Cb 1.21 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1ypf h ILE 176 CO 0.59 0.25 0.07 0.74 -0.69 0.00 0.00 178.15 179.10 1ypf h THR 177 N 1.10 1.09 -0.44 -0.27 2.02 -1.92 0.96 112.91 115.45 1ypf h THR 177 Ca 0.28 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1ypf h THR 177 Cb -0.01 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1ypf h THR 177 CO -0.05 0.08 0.25 0.50 0.37 0.00 0.00 175.52 176.68 1ypf h LYS 178 N 0.11 0.50 -0.07 6.66 3.64 -1.69 -1.03 116.57 124.68 1ypf h LYS 178 Ca 0.04 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1ypf h LYS 178 Cb 0.07 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ypf h LYS 178 CO -0.01 0.33 -0.48 0.82 -2.27 0.00 0.00 179.45 177.84 1ypf h ILE 179 N 0.51 1.39 0.04 2.00 2.04 -1.14 -2.57 117.51 119.80 1ypf h ILE 179 Ca 0.18 -1.86 -0.23 0.00 1.00 0.00 0.00 64.86 63.96 1ypf h ILE 179 Cb 0.03 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1ypf h ILE 179 CO -0.09 0.55 -1.06 0.11 0.00 0.00 0.00 178.15 177.66 1ypf h LYS 180 N 0.00 0.11 0.00 2.37 1.79 -0.85 -3.39 116.57 116.60 1ypf h LYS 180 Ca -0.04 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 58.15 1ypf h LYS 180 Cb 1.14 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1ypf h LYS 180 CO 0.10 1.06 -1.68 0.25 -1.08 0.00 0.00 179.45 178.10 1ypf n THR 181 N -3.45 0.40 -0.92 -0.16 -2.24 -0.39 -5.02 114.28 102.49 1ypf n THR 181 Ca -0.03 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1ypf n THR 181 Cb 0.95 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1ypf n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ypf n GLY 182 N 2.04 0.84 3.76 3.38 0.00 -0.97 -5.03 105.19 109.21 1ypf n GLY 182 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1ypf n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ypf s PHE 183 N -3.51 3.12 -0.63 1.61 0.08 -1.26 -5.04 117.98 112.35 1ypf s PHE 183 Ca 0.00 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1ypf s PHE 183 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1ypf s PHE 183 CO 0.00 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.04 1ypf n GLY 184 N 0.21 0.42 0.59 4.36 0.00 -1.26 -4.14 105.19 105.38 1ypf n GLY 184 Ca -0.09 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.80 1ypf n GLY 184 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ypf n THR 185 N 1.14 0.15 -1.69 2.61 -2.24 -0.27 -4.95 114.28 109.03 1ypf n THR 185 Ca 0.00 -0.35 -0.44 0.00 -2.27 0.00 0.00 64.05 60.99 1ypf n THR 185 Cb 0.00 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1ypf n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ypf n GLY 186 N 1.18 1.36 3.10 3.38 0.00 -0.85 -1.15 105.19 112.21 1ypf n GLY 186 Ca 0.17 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1ypf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ypf n GLY 187 N 3.78 0.83 2.44 -0.02 0.00 -1.23 -4.82 105.19 106.16 1ypf n GLY 187 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ypf n GLY 187 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1ypf n TRP 188 N -2.05 -0.10 -0.17 1.61 4.27 -0.30 -4.47 117.44 116.24 1ypf n TRP 188 Ca 0.00 -1.64 -0.07 0.00 -3.89 0.00 0.00 57.50 51.89 1ypf n TRP 188 Cb 0.00 0.43 0.07 0.00 -1.36 0.00 0.00 31.31 30.46 1ypf n TRP 188 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1ypf h GLN 189 N 1.64 0.96 -0.56 -2.67 5.75 -1.55 -0.81 115.11 117.87 1ypf h GLN 189 Ca -0.29 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 57.86 1ypf h GLN 189 Cb 1.37 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 1ypf h GLN 189 CO 0.01 0.96 0.15 1.25 -2.65 0.00 0.00 178.83 178.55 1ypf h LEU 190 N 0.88 0.84 -0.81 -2.39 5.85 -1.89 -0.67 115.31 117.11 1ypf h LEU 190 Ca 0.16 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1ypf h LEU 190 Cb 0.55 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ypf h LEU 190 CO 0.03 0.84 0.04 0.00 -0.34 0.00 0.00 178.44 179.01 1ypf h ALA 191 N 1.03 1.01 -0.55 1.25 0.00 -1.28 -1.75 119.26 118.97 1ypf h ALA 191 Ca 0.18 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ypf h ALA 191 Cb 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ypf h ALA 191 CO -0.00 0.62 0.31 0.00 0.00 0.00 0.00 179.25 180.17 1ypf h ALA 192 N 1.17 0.71 0.63 0.00 0.00 -0.90 0.95 119.26 121.82 1ypf h ALA 192 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ypf h ALA 192 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ypf h ALA 192 CO 0.02 -0.01 -0.50 1.25 0.00 0.00 0.00 179.25 180.00 1ypf h LEU 193 N 0.60 -1.34 -0.96 0.00 5.85 -0.81 -0.43 115.31 118.21 1ypf h LEU 193 Ca 0.24 0.09 0.20 0.00 0.84 0.00 0.00 57.88 59.24 1ypf h LEU 193 Cb 0.10 0.42 -0.18 0.00 0.37 0.00 0.00 40.66 41.36 1ypf h LEU 193 CO -0.14 -0.71 -0.23 -1.14 -0.34 0.00 0.00 178.44 175.88 1ypf n ARG 194 N -5.60 -0.09 -0.13 1.25 0.63 -0.69 -0.35 116.66 111.68 1ypf n ARG 194 Ca -0.13 1.50 -0.08 0.00 -0.92 0.00 0.00 57.85 58.22 1ypf n ARG 194 Cb 0.48 -2.25 0.07 0.00 0.45 0.00 0.00 32.46 31.22 1ypf n ARG 194 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1ypf h TRP 195 N 0.00 0.99 0.23 -0.14 7.01 0.03 -2.41 115.95 121.66 1ypf h TRP 195 Ca 0.47 -0.20 -0.33 0.00 2.11 0.00 0.00 58.89 60.94 1ypf h TRP 195 Cb 0.72 -0.25 0.03 0.00 -2.10 0.00 0.00 29.16 27.57 1ypf h TRP 195 CO -0.73 0.96 -1.44 0.00 -2.79 0.00 0.00 178.44 174.44 1ypf h ALA 197 N 0.22 1.49 0.00 0.00 0.00 -0.54 -1.33 119.26 119.10 1ypf h ALA 197 Ca -0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1ypf h ALA 197 Cb 2.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ypf h ALA 197 CO 0.27 0.18 -0.14 0.87 0.00 0.00 0.00 179.25 180.42 1ypf h LYS 198 N 0.00 0.00 0.00 0.00 1.57 -1.54 -2.89 116.57 113.71 1ypf h LYS 198 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ypf h LYS 198 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ypf h LYS 198 CO 0.02 0.14 -0.99 0.00 -0.57 0.00 0.00 179.45 178.05 1ypf n ALA 199 N -2.39 2.97 -2.44 3.86 0.00 -0.53 -4.98 120.51 117.00 1ypf n ALA 199 Ca -0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1ypf n ALA 199 Cb 0.23 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1ypf n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ypf s ALA 200 N -3.26 3.34 -0.30 0.00 0.00 -1.06 -4.83 121.76 115.65 1ypf s ALA 200 Ca 0.02 0.78 0.23 0.00 0.00 0.00 0.00 51.96 52.99 1ypf s ALA 200 Cb 0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1ypf s ALA 200 CO 0.79 -0.36 1.01 -1.13 0.00 0.00 0.00 175.76 176.06 1ypf n SER 201 N 3.74 0.72 -4.58 0.00 3.41 -1.26 -4.99 113.62 110.66 1ypf n SER 201 Ca 0.08 0.21 -0.25 0.00 -0.26 0.00 0.00 58.87 58.65 1ypf n SER 201 Cb 0.47 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 64.94 1ypf n SER 201 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ypf s LYS 202 N -3.34 1.93 0.56 4.33 1.02 -1.26 -5.11 119.74 117.86 1ypf s LYS 202 Ca -0.00 -1.84 -0.21 0.00 0.02 0.00 0.00 55.97 53.94 1ypf s LYS 202 Cb 0.11 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1ypf s LYS 202 CO 0.80 0.16 1.25 -2.30 -0.92 0.00 0.00 175.35 174.33 1ypf n PRO 203 N -0.85 1.44 -4.56 -1.68 -0.02 -1.26 -4.80 135.00 123.27 1ypf n PRO 203 Ca -0.05 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1ypf n PRO 203 Cb 0.63 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 1ypf n PRO 203 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ypf s ILE 204 N -1.34 3.53 -0.34 4.25 1.01 -1.26 -2.19 121.20 124.85 1ypf s ILE 204 Ca 0.73 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 1ypf s ILE 204 Cb -0.42 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 1ypf s ILE 204 CO 0.48 0.51 0.52 -0.63 0.00 0.00 0.00 174.94 175.81 1ypf s ILE 205 N 0.36 5.01 -0.24 2.92 1.01 0.08 -0.71 121.20 129.64 1ypf s ILE 205 Ca -0.07 0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.74 1ypf s ILE 205 Cb -0.15 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ypf s ILE 205 CO 0.04 -0.19 0.86 0.00 0.00 0.00 0.00 174.94 175.65 1ypf s ALA 206 N 2.40 3.65 -0.41 9.38 0.00 -0.09 -0.88 121.76 135.82 1ypf s ALA 206 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1ypf s ALA 206 Cb -0.15 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.76 1ypf s ALA 206 CO 0.13 -0.94 0.20 0.34 0.00 0.00 0.00 175.76 175.49 1ypf s ASP 207 N 1.32 5.19 0.00 0.00 2.15 0.23 -0.17 116.67 125.38 1ypf s ASP 207 Ca 0.36 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 51.24 1ypf s ASP 207 Cb -0.15 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 1ypf s ASP 207 CO 0.07 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 1ypf n GLY 208 N 4.48 -3.56 2.52 2.66 0.00 -0.82 -4.53 105.19 105.94 1ypf n GLY 208 Ca -0.01 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1ypf n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ypf n GLY 209 N -0.18 0.54 3.63 -0.02 0.00 -1.26 -4.97 105.19 102.92 1ypf n GLY 209 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ypf n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ypf s ILE 210 N -2.36 4.70 -0.04 -0.61 -1.09 -1.26 -4.91 121.20 115.63 1ypf s ILE 210 Ca 0.00 1.49 0.11 0.00 -2.23 0.00 0.00 60.65 60.03 1ypf s ILE 210 Cb 0.00 -4.24 -0.17 0.00 -1.58 0.00 0.00 42.46 36.47 1ypf s ILE 210 CO 0.00 -0.29 0.20 0.54 -1.23 0.00 0.00 174.94 174.16 1ypf n ARG 211 N 6.39 0.86 -4.15 2.79 5.12 -1.26 -4.69 116.66 121.71 1ypf n ARG 211 Ca 0.07 -0.08 -0.10 0.00 -1.93 0.00 0.00 57.85 55.81 1ypf n ARG 211 Cb 0.47 -1.28 -0.10 0.00 -1.16 0.00 0.00 32.46 30.39 1ypf n ARG 211 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ypf s THR 212 N -2.67 0.34 0.38 0.55 -4.23 -1.26 -4.98 115.64 103.77 1ypf s THR 212 Ca -0.05 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1ypf s THR 212 Cb 0.06 -1.85 0.28 0.00 1.34 0.00 0.00 72.50 72.33 1ypf s THR 212 CO 0.48 -0.69 2.00 0.78 -0.54 0.00 0.00 174.62 176.66 1ypf h ASN 213 N 2.93 0.59 -0.01 3.99 2.35 -2.00 -2.39 115.58 121.04 1ypf h ASN 213 Ca -0.35 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1ypf h ASN 213 Cb 1.18 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 1ypf h ASN 213 CO 0.63 0.41 0.01 1.23 -1.65 0.00 0.00 177.43 178.05 1ypf h GLY 214 N 0.69 0.00 2.00 2.83 0.00 -1.96 -1.55 103.07 105.07 1ypf h GLY 214 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1ypf h GLY 214 CO -0.07 0.00 -0.06 -0.55 0.00 0.00 0.00 176.54 175.86 1ypf h ASP 215 N 0.00 0.00 -0.06 0.19 3.32 -1.83 -2.29 116.42 115.74 1ypf h ASP 215 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ypf h ASP 215 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ypf h ASP 215 CO -0.00 0.06 -0.00 0.58 -1.72 0.00 0.00 179.24 178.16 1ypf h VAL 216 N 0.00 1.26 -0.89 -1.35 2.07 -1.41 -0.72 116.25 115.21 1ypf h VAL 216 Ca -0.00 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ypf h VAL 216 Cb 0.37 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1ypf h VAL 216 CO 0.01 0.22 0.59 0.00 0.02 0.00 0.00 177.57 178.41 1ypf h ALA 217 N 0.70 1.14 -0.80 1.67 0.00 -1.54 -2.10 119.26 118.33 1ypf h ALA 217 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ypf h ALA 217 Cb 0.35 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1ypf h ALA 217 CO 0.00 0.50 0.51 0.87 0.00 0.00 0.00 179.25 181.14 1ypf h LYS 218 N 1.18 1.07 -0.55 0.00 1.57 -1.29 -1.36 116.57 117.20 1ypf h LYS 218 Ca 0.33 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1ypf h LYS 218 Cb -0.10 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 31.95 1ypf h LYS 218 CO -0.08 0.73 0.33 0.77 -0.57 0.00 0.00 179.45 180.63 1ypf h SER 219 N 1.09 0.65 -0.43 0.86 0.02 -0.76 -2.35 113.55 112.63 1ypf h SER 219 Ca 0.29 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1ypf h SER 219 Cb -0.09 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1ypf h SER 219 CO -0.06 0.51 0.27 0.40 -1.14 0.00 0.00 176.83 176.81 1ypf h ILE 220 N 0.74 1.12 -0.85 3.27 1.08 -0.95 -1.91 117.51 120.01 1ypf h ILE 220 Ca 0.20 -0.25 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 1ypf h ILE 220 Cb -0.03 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 34.17 1ypf h ILE 220 CO -0.04 0.12 0.48 -0.09 -0.69 0.00 0.00 178.15 177.93 1ypf h ARG 221 N 0.57 0.74 -0.65 2.37 9.65 -0.86 -1.88 114.38 124.32 1ypf h ARG 221 Ca 0.15 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1ypf h ARG 221 Cb -0.04 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1ypf h ARG 221 CO -0.03 0.49 0.00 1.19 2.80 0.00 0.00 179.97 184.42 1ypf n PHE 222 N -4.77 1.48 0.00 2.20 3.72 -0.92 -4.80 117.46 114.37 1ypf n PHE 222 Ca 0.15 -0.55 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1ypf n PHE 222 Cb 0.33 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1ypf n PHE 222 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ypf n GLY 223 N 0.77 1.05 3.77 1.37 0.00 -0.71 -3.49 105.19 107.96 1ypf n GLY 223 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1ypf n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypf s ALA 224 N -2.00 2.80 -0.23 4.61 0.00 -0.77 -4.62 121.76 121.55 1ypf s ALA 224 Ca 0.00 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 1ypf s ALA 224 Cb 0.00 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 1ypf s ALA 224 CO 0.00 -0.69 -0.09 2.41 0.00 0.00 0.00 175.76 177.39 1ypf n THR 225 N -1.00 1.56 -4.33 0.00 -1.04 0.11 -4.56 114.28 105.02 1ypf n THR 225 Ca 0.10 -0.40 -0.25 0.00 -2.04 0.00 0.00 64.05 61.46 1ypf n THR 225 Cb 0.50 -1.77 -0.13 0.00 -1.82 0.00 0.00 70.33 67.11 1ypf n THR 225 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1ypf s MET 226 N -2.49 1.19 -0.20 -2.82 -1.94 -1.08 -4.73 119.30 107.23 1ypf s MET 226 Ca -0.33 -1.18 -0.00 0.00 -1.71 0.00 0.00 55.69 52.47 1ypf s MET 226 Cb 0.10 -1.48 0.01 0.00 2.01 0.00 0.00 34.83 35.48 1ypf s MET 226 CO 0.58 0.35 -0.15 0.08 -0.01 0.00 0.00 175.02 175.87 1ypf s VAL 227 N -1.12 2.45 -0.16 -6.03 1.01 0.25 -0.91 120.40 115.89 1ypf s VAL 227 Ca 0.08 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1ypf s VAL 227 Cb -0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1ypf s VAL 227 CO 0.04 0.47 0.56 -0.32 0.00 0.00 0.00 175.10 175.85 1ypf s MET 228 N 1.33 4.27 -0.13 2.72 -2.45 0.76 -1.13 119.30 124.67 1ypf s MET 228 Ca 0.04 0.55 0.02 0.00 -1.25 0.00 0.00 55.69 55.05 1ypf s MET 228 Cb -0.14 -3.52 0.01 0.00 1.25 0.00 0.00 34.83 32.44 1ypf s MET 228 CO -0.10 -0.06 -0.20 0.42 1.05 0.00 0.00 175.02 176.13 1ypf s ILE 229 N 1.32 1.90 0.00 10.11 1.01 -0.15 -1.95 121.20 133.44 1ypf s ILE 229 Ca 0.28 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1ypf s ILE 229 Cb -0.16 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1ypf s ILE 229 CO 0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1ypf n GLY 230 N 4.04 0.17 0.31 6.18 0.00 -1.26 -1.36 105.19 113.26 1ypf n GLY 230 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1ypf n GLY 230 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ypf h SER 231 N 0.00 0.66 0.20 1.61 4.64 -1.96 -1.11 113.55 117.58 1ypf h SER 231 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1ypf h SER 231 Cb 0.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ypf h SER 231 CO 0.00 0.37 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.21 1ypf h LEU 232 N 0.77 0.00 -0.06 5.97 3.38 -1.88 -2.23 115.31 121.26 1ypf h LEU 232 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1ypf h LEU 232 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ypf h LEU 232 CO -0.26 0.05 -0.71 0.49 0.09 0.00 0.00 178.44 178.11 1ypf n PHE 233 N -3.64 0.00 -2.60 1.13 3.72 -0.44 -4.97 117.46 110.66 1ypf n PHE 233 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 1ypf n PHE 233 Cb 0.16 -0.13 -0.05 0.00 -0.94 0.00 0.00 39.48 38.52 1ypf n PHE 233 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ypf s ALA 234 N -2.96 2.96 -0.13 4.37 0.00 -0.84 -4.40 121.76 120.76 1ypf s ALA 234 Ca 0.10 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1ypf s ALA 234 Cb 0.17 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1ypf s ALA 234 CO 0.76 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1ypf n GLY 235 N -0.65 0.43 3.90 0.00 0.00 -1.26 -4.76 105.19 102.84 1ypf n GLY 235 Ca 0.08 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1ypf n GLY 235 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ypf s HIS 236 N -2.05 3.47 0.26 1.61 4.02 -1.26 -0.56 115.29 120.77 1ypf s HIS 236 Ca 0.00 0.92 -0.02 0.00 1.02 0.00 0.00 55.06 56.98 1ypf s HIS 236 Cb 0.00 -2.62 0.53 0.00 -1.02 0.00 0.00 32.58 29.46 1ypf s HIS 236 CO 0.00 -0.65 1.74 1.49 1.02 0.00 0.00 174.74 178.34 1ypf h GLU 237 N -0.14 0.49 0.00 1.40 4.57 -1.41 0.30 114.58 119.80 1ypf h GLU 237 Ca -0.46 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1ypf h GLU 237 Cb 1.22 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1ypf h GLU 237 CO 0.62 0.33 0.00 0.39 -1.18 0.00 0.00 179.01 179.16 1ypf n GLU 238 N -4.96 0.11 -1.59 1.92 4.71 -1.26 -4.88 120.64 114.70 1ypf n GLU 238 Ca 0.16 0.24 -0.32 0.00 -0.01 0.00 0.00 57.16 57.23 1ypf n GLU 238 Cb 0.46 -1.66 0.05 0.00 -1.01 0.00 0.00 31.44 29.28 1ypf n GLU 238 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1ypf s SER 239 N -3.64 5.15 0.60 1.62 0.01 0.09 -4.90 113.70 112.63 1ypf s SER 239 Ca 0.08 1.77 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 1ypf s SER 239 Cb 0.12 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1ypf s SER 239 CO 0.42 -1.60 1.34 -2.84 0.41 0.00 0.00 173.24 170.98 1ypf s PRO 240 N -4.70 2.85 -0.20 12.44 0.02 -1.26 -4.54 135.00 139.60 1ypf s PRO 240 Ca 0.61 2.18 -0.16 0.00 0.02 0.00 0.00 61.00 63.66 1ypf s PRO 240 Cb -0.16 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 1ypf s PRO 240 CO 0.50 -1.40 -0.33 0.41 -0.33 0.00 0.00 177.00 175.84 1ypf n GLY 241 N 0.82 -0.48 3.21 0.52 0.00 -1.26 -4.79 105.19 103.20 1ypf n GLY 241 Ca 0.13 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1ypf n GLY 241 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ypf s GLU 242 N -2.71 1.61 0.23 1.61 2.12 -1.26 -5.02 118.70 115.27 1ypf s GLU 242 Ca -0.31 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 54.38 1ypf s GLU 242 Cb 0.08 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.88 1ypf s GLU 242 CO 0.43 0.43 0.09 -0.08 -0.54 0.00 0.00 175.26 175.59 1ypf s THR 243 N -0.47 4.03 0.02 -1.70 -1.32 -1.26 -4.49 115.64 110.45 1ypf s THR 243 Ca 0.08 -1.51 0.07 0.00 -1.21 0.00 0.00 61.69 59.11 1ypf s THR 243 Cb -0.08 -3.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.77 1ypf s THR 243 CO -0.01 -0.28 -0.20 -0.51 -2.21 0.00 0.00 174.62 171.41 1ypf s ILE 244 N -2.06 1.60 0.55 5.08 2.07 0.29 -4.97 121.20 123.75 1ypf s ILE 244 Ca 0.31 -1.06 -0.01 0.00 -1.41 0.00 0.00 60.65 58.48 1ypf s ILE 244 Cb -0.08 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.16 1ypf s ILE 244 CO 0.22 0.28 0.79 -1.61 -1.91 0.00 0.00 174.94 172.71 1ypf s GLU 245 N -0.92 2.68 0.00 3.50 2.02 -1.26 -0.23 118.70 124.48 1ypf s GLU 245 Ca 0.07 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1ypf s GLU 245 Cb -0.08 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1ypf s GLU 245 CO 0.01 -0.66 0.00 1.17 0.02 0.00 0.00 175.26 175.80 1ypf n LYS 246 N -2.37 0.00 0.00 1.61 0.00 -1.26 -4.86 118.16 111.29 1ypf n LYS 246 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1ypf n LYS 246 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1ypf n LYS 246 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ypf n GLU 270 N 0.00 0.00 -4.24 1.64 2.13 -1.26 -4.66 120.64 114.26 1ypf n GLU 270 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1ypf n GLU 270 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1ypf n GLU 270 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ypf s GLY 271 N 0.00 1.05 0.43 8.31 0.00 -1.26 -5.15 107.32 110.71 1ypf s GLY 271 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 1ypf s GLY 271 CO 0.00 -1.36 0.68 0.54 0.00 0.00 0.00 173.10 172.96 1ypf s LYS 272 N -2.78 3.38 0.03 2.90 1.02 -1.26 -4.80 119.74 118.23 1ypf s LYS 272 Ca 0.09 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 55.94 1ypf s LYS 272 Cb -0.04 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1ypf s LYS 272 CO 0.03 -0.12 -0.06 0.15 -0.92 0.00 0.00 175.35 174.43 1ypf s LYS 273 N -4.56 0.42 -0.56 1.68 1.02 0.68 -2.38 119.74 116.04 1ypf s LYS 273 Ca 0.45 -0.64 0.06 0.00 0.02 0.00 0.00 55.97 55.86 1ypf s LYS 273 Cb -0.10 -0.13 0.34 0.00 -0.52 0.00 0.00 37.83 37.41 1ypf s LYS 273 CO 0.40 0.01 0.91 -1.33 -0.92 0.00 0.00 175.35 174.43 1ypf n MET 274 N 1.66 2.91 0.00 1.68 2.81 -1.26 0.10 117.12 125.02 1ypf n MET 274 Ca -0.22 -4.66 0.00 0.00 -1.81 0.00 0.00 57.70 51.00 1ypf n MET 274 Cb 0.55 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1ypf n MET 274 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1ypf n PHE 275 N -0.12 0.00 -1.82 2.03 3.01 -1.26 -4.46 117.46 114.84 1ypf n PHE 275 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1ypf n PHE 275 Cb 0.43 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1ypf n PHE 275 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ypf n VAL 276 N -1.85 0.00 -2.09 -4.37 0.31 -1.26 -5.12 118.33 103.95 1ypf n VAL 276 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1ypf n VAL 276 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1ypf n VAL 276 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ypf s GLU 277 N 2.27 4.33 -0.01 5.55 2.12 -1.26 -4.12 118.70 127.57 1ypf s GLU 277 Ca 0.00 2.23 -0.30 0.00 0.36 0.00 0.00 54.97 57.26 1ypf s GLU 277 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1ypf s GLU 277 CO 0.00 -0.28 1.35 -1.58 -0.54 0.00 0.00 175.26 174.21 1ypf s HIS 278 N -0.57 2.94 -2.30 5.30 5.65 -1.00 -4.36 115.29 120.95 1ypf s HIS 278 Ca 0.54 0.92 0.27 0.00 0.25 0.00 0.00 55.06 57.03 1ypf s HIS 278 Cb -0.40 -3.61 0.82 0.00 -1.18 0.00 0.00 32.58 28.21 1ypf s HIS 278 CO 0.48 -2.18 1.61 1.63 -0.65 0.00 0.00 174.74 175.63 1ypf n LYS 279 N 5.28 1.46 0.00 2.88 5.02 0.28 -4.96 118.16 128.13 1ypf n LYS 279 Ca 0.13 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 1ypf n LYS 279 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1ypf n LYS 279 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ypf n GLY 280 N 1.25 0.40 3.73 0.72 0.00 -1.26 -4.89 105.19 105.14 1ypf n GLY 280 Ca 0.16 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1ypf n GLY 280 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ypf s SER 281 N -4.00 7.19 0.24 1.61 0.15 -1.26 -0.94 113.70 116.69 1ypf s SER 281 Ca 0.00 1.42 -0.05 0.00 0.70 0.00 0.00 55.95 58.02 1ypf s SER 281 Cb 0.00 -2.47 0.33 0.00 -1.71 0.00 0.00 66.02 62.17 1ypf s SER 281 CO 0.00 -0.06 1.87 0.25 1.20 0.00 0.00 173.24 176.50 1ypf h LEU 282 N 6.09 0.90 -0.91 3.45 5.85 -1.95 -2.14 115.31 126.60 1ypf h LEU 282 Ca -0.43 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.33 1ypf h LEU 282 Cb 1.21 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1ypf h LEU 282 CO 0.73 0.59 0.59 -0.08 -0.34 0.00 0.00 178.44 179.93 1ypf h GLU 283 N 1.04 1.12 -0.64 1.25 4.81 -1.99 -0.69 114.58 119.48 1ypf h GLU 283 Ca 0.38 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1ypf h GLU 283 Cb 0.12 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1ypf h GLU 283 CO -0.16 0.74 0.09 -0.44 -0.73 0.00 0.00 179.01 178.52 1ypf h ASP 284 N 1.16 1.02 -0.28 1.04 3.32 -1.82 -1.31 116.42 119.54 1ypf h ASP 284 Ca 0.36 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1ypf h ASP 284 Cb -0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1ypf h ASP 284 CO -0.11 1.02 0.15 0.74 -1.72 0.00 0.00 179.24 179.32 1ypf h THR 285 N 0.99 1.13 -0.62 0.35 2.02 -0.78 -1.28 112.91 114.73 1ypf h THR 285 Ca 0.20 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1ypf h THR 285 Cb 0.44 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1ypf h THR 285 CO 0.01 0.13 0.07 -0.07 0.37 0.00 0.00 175.52 176.04 1ypf h LEU 286 N 0.34 1.01 -0.24 2.58 3.38 -1.00 0.18 115.31 121.56 1ypf h LEU 286 Ca 0.10 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ypf h LEU 286 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1ypf h LEU 286 CO -0.02 1.03 0.12 0.40 0.09 0.00 0.00 178.44 180.07 1ypf h ILE 287 N 0.95 1.00 -0.70 1.22 2.04 -1.15 -1.82 117.51 119.06 1ypf h ILE 287 Ca 0.18 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1ypf h ILE 287 Cb 0.47 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1ypf h ILE 287 CO 0.02 0.05 0.46 -0.08 0.00 0.00 0.00 178.15 178.59 1ypf h GLU 288 N 0.26 0.89 -0.80 2.37 4.81 -0.96 -0.92 114.58 120.24 1ypf h GLU 288 Ca 0.10 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1ypf h GLU 288 Cb 0.02 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 1ypf h GLU 288 CO -0.06 0.59 0.50 0.52 -0.73 0.00 0.00 179.01 179.83 1ypf h MET 289 N 0.92 0.91 -0.34 1.92 2.86 -0.76 -0.19 114.93 120.25 1ypf h MET 289 Ca 0.26 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1ypf h MET 289 Cb -0.07 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1ypf h MET 289 CO -0.07 0.60 0.03 1.49 1.06 0.00 0.00 176.91 180.02 1ypf h GLU 290 N 0.93 0.58 -0.78 1.72 4.81 -0.73 -1.52 114.58 119.59 1ypf h GLU 290 Ca 0.34 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1ypf h GLU 290 Cb 0.10 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1ypf h GLU 290 CO -0.15 0.68 0.40 1.96 -0.73 0.00 0.00 179.01 181.17 1ypf h GLN 291 N 0.40 1.10 -0.73 1.92 4.20 -0.92 -1.32 115.11 119.77 1ypf h GLN 291 Ca 0.10 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1ypf h GLN 291 Cb 0.40 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1ypf h GLN 291 CO 0.01 0.83 0.32 -0.44 -0.67 0.00 0.00 178.83 178.88 1ypf h ASP 292 N 1.08 0.98 0.24 1.46 3.32 -0.88 -1.74 116.42 120.89 1ypf h ASP 292 Ca 0.27 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1ypf h ASP 292 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1ypf h ASP 292 CO -0.04 0.87 -0.54 0.25 -1.72 0.00 0.00 179.24 178.06 1ypf h LEU 293 N 1.04 0.36 -0.67 1.55 5.85 -1.00 -1.27 115.31 121.17 1ypf h LEU 293 Ca 0.25 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ypf h LEU 293 Cb 0.17 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ypf h LEU 293 CO -0.02 0.83 0.42 1.56 -0.34 0.00 0.00 178.44 180.88 1ypf h GLN 294 N 0.25 0.81 -0.81 1.25 4.20 -1.07 -0.06 115.11 119.68 1ypf h GLN 294 Ca 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1ypf h GLN 294 Cb 1.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1ypf h GLN 294 CO 0.09 0.54 0.38 0.77 -0.67 0.00 0.00 178.83 179.94 1ypf h SER 295 N 0.84 1.07 -0.35 1.46 0.02 -0.91 0.35 113.55 116.02 1ypf h SER 295 Ca 0.26 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1ypf h SER 295 Cb -0.01 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1ypf h SER 295 CO -0.09 0.91 0.14 0.28 -1.14 0.00 0.00 176.83 176.92 1ypf h SER 296 N 1.15 0.16 -0.54 3.07 0.02 -0.82 -1.20 113.55 115.40 1ypf h SER 296 Ca 0.28 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1ypf h SER 296 Cb 0.13 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1ypf h SER 296 CO -0.03 0.13 0.31 0.40 -1.14 0.00 0.00 176.83 176.49 1ypf h ILE 297 N 0.29 1.17 -0.14 3.27 2.04 -0.66 -0.25 117.51 123.24 1ypf h ILE 297 Ca 0.16 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1ypf h ILE 297 Cb 0.11 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1ypf h ILE 297 CO -0.15 0.18 -0.14 -1.28 0.00 0.00 0.00 178.15 176.77 1ypf h SER 298 N 0.72 -0.43 -0.10 1.72 0.87 -0.64 -2.05 113.55 113.64 1ypf h SER 298 Ca 0.19 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1ypf h SER 298 Cb 0.02 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1ypf h SER 298 CO -0.03 -0.18 0.08 1.88 -0.53 0.00 0.00 176.83 178.04 1ypf h TYR 299 N -0.16 0.00 0.00 2.24 -1.99 -0.96 -1.78 116.97 114.31 1ypf h TYR 299 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1ypf h TYR 299 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1ypf h TYR 299 CO -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 177.90 1ypf n ALA 300 N -2.55 2.01 -1.32 3.88 0.00 -0.13 -1.08 120.51 121.32 1ypf n ALA 300 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ypf n ALA 300 Cb 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1ypf n ALA 300 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypf n GLY 301 N 0.76 0.41 0.00 0.00 0.00 -0.67 -4.47 105.19 101.21 1ypf n GLY 301 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1ypf n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ypf n GLY 302 N -2.26 5.13 0.00 -0.02 0.00 -1.10 -4.64 105.19 102.29 1ypf n GLY 302 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1ypf n GLY 302 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ypf n THR 303 N 0.00 0.00 -4.40 2.61 -2.24 -1.26 -4.36 114.28 104.62 1ypf n THR 303 Ca 0.00 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1ypf n THR 303 Cb 0.00 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 1ypf n THR 303 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ypf s LYS 304 N -0.28 1.49 0.28 -0.78 -0.14 -1.26 -0.65 119.74 118.40 1ypf s LYS 304 Ca 0.00 -1.72 0.01 0.00 -1.36 0.00 0.00 55.97 52.89 1ypf s LYS 304 Cb 0.00 -1.16 0.53 0.00 -1.68 0.00 0.00 37.83 35.53 1ypf s LYS 304 CO 0.00 0.09 1.84 1.25 -0.76 0.00 0.00 175.35 177.77 1ypf h LEU 305 N 2.36 0.94 -2.35 3.17 5.85 -1.74 -1.85 115.31 121.69 1ypf h LEU 305 Ca -0.39 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1ypf h LEU 305 Cb 1.23 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1ypf h LEU 305 CO 0.65 0.51 -0.00 0.44 -0.34 0.00 0.00 178.44 179.70 1ypf h ASP 306 N 1.01 0.00 -0.95 1.25 3.32 -1.93 -2.03 116.42 117.10 1ypf h ASP 306 Ca 0.49 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.73 1ypf h ASP 306 Cb 0.45 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.89 1ypf h ASP 306 CO -0.26 0.00 0.53 0.28 -1.72 0.00 0.00 179.24 178.08 1ypf h SER 307 N 0.00 0.63 -0.54 6.45 0.02 -1.73 -1.39 113.55 116.98 1ypf h SER 307 Ca -0.00 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1ypf h SER 307 Cb 0.22 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1ypf h SER 307 CO 0.00 0.19 0.36 0.40 -1.14 0.00 0.00 176.83 176.64 1ypf h ILE 308 N 0.64 0.94 0.00 3.27 2.04 -1.54 -2.75 117.51 120.11 1ypf h ILE 308 Ca 0.56 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1ypf h ILE 308 Cb 0.92 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1ypf h ILE 308 CO -0.42 0.08 0.00 0.03 0.00 0.00 0.00 178.15 177.84 1ypf h ARG 309 N 0.43 0.00 -0.12 2.37 3.08 -1.41 -3.16 114.38 115.57 1ypf h ARG 309 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1ypf h ARG 309 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ypf h ARG 309 CO -0.06 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.09 1ypf n THR 310 N -2.40 0.64 -1.93 2.04 -2.24 -1.03 -4.91 114.28 104.45 1ypf n THR 310 Ca -0.01 -0.82 -0.31 0.00 -2.27 0.00 0.00 64.05 60.64 1ypf n THR 310 Cb 0.10 0.72 0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1ypf n THR 310 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ypf s VAL 311 N -0.81 4.39 0.76 2.28 -7.23 -1.19 -5.06 120.40 113.54 1ypf s VAL 311 Ca 0.10 0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 61.05 1ypf s VAL 311 Cb 0.06 -3.66 0.05 0.00 0.56 0.00 0.00 36.38 33.39 1ypf s VAL 311 CO 0.08 -0.90 1.14 -0.62 -0.31 0.00 0.00 175.10 174.49 1ypf s ASP 312 N -3.67 4.92 0.18 4.85 2.15 -1.26 -4.92 116.67 118.91 1ypf s ASP 312 Ca 0.58 0.93 -0.11 0.00 0.43 0.00 0.00 52.55 54.38 1ypf s ASP 312 Cb -0.12 -1.56 -0.00 0.00 -0.30 0.00 0.00 42.92 40.94 1ypf s ASP 312 CO 0.47 -1.66 0.34 -0.72 -0.17 0.00 0.00 175.17 173.43 1ypf s TYR 313 N -3.48 0.31 0.21 -5.34 -0.85 -1.26 -0.86 117.35 106.07 1ypf s TYR 313 Ca 0.60 -0.67 0.09 0.00 -0.52 0.00 0.00 57.07 56.57 1ypf s TYR 313 Cb -0.11 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 1ypf s TYR 313 CO 0.50 -0.78 -0.16 0.14 -1.52 0.00 0.00 175.55 173.74 1ypf s VAL 314 N -3.96 1.87 -0.33 -3.49 -7.23 -0.25 -4.93 120.40 102.09 1ypf s VAL 314 Ca 0.16 -2.22 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 1ypf s VAL 314 Cb 0.02 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 34.92 1ypf s VAL 314 CO 0.00 -0.54 0.10 -0.69 -0.31 0.00 0.00 175.10 173.66 1ypf s VAL 315 N -2.82 3.83 0.72 1.32 1.01 -1.26 -2.13 120.40 121.07 1ypf s VAL 315 Ca 0.23 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1ypf s VAL 315 Cb -0.02 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1ypf s VAL 315 CO 0.08 -0.10 1.07 0.68 0.00 0.00 0.00 175.10 176.83 1ypf s VAL 316 N 1.43 3.74 -0.05 2.92 -7.23 0.41 -4.99 120.40 116.62 1ypf s VAL 316 Ca -0.00 0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 60.73 1ypf s VAL 316 Cb -0.19 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 1ypf s VAL 316 CO 0.03 -0.73 0.07 0.50 -0.31 0.00 0.00 175.10 174.66 1ypf h LYS 317 N -0.84 -0.04 -5.27 4.82 3.64 -1.98 -3.45 116.57 113.46 1ypf h LYS 317 Ca -0.44 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.31 1ypf h LYS 317 Cb 1.22 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 1ypf h LYS 317 CO 0.55 -0.03 -0.04 -0.80 -2.27 0.00 0.00 179.45 176.85 1ypf s ASN 318 N -4.38 6.34 0.00 4.20 0.02 -1.26 -5.11 114.94 114.75 1ypf s ASN 318 Ca -0.01 0.10 0.25 0.00 -1.02 0.00 0.00 52.86 52.17 1ypf s ASN 318 Cb 0.00 -2.27 0.30 0.00 0.02 0.00 0.00 41.25 39.30 1ypf s ASN 318 CO 0.02 -0.44 1.32 -1.20 0.02 0.00 0.00 177.10 176.83