#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0b s ASN -1 N 0.00 4.32 0.00 -3.46 2.20 -1.26 -4.90 114.94 111.84 1y0b s ASN -1 Ca 0.00 0.48 0.00 0.00 -0.94 0.00 0.00 52.86 52.40 1y0b s ASN -1 Cb 0.00 -0.93 0.00 0.00 -2.00 0.00 0.00 41.25 38.32 1y0b s ASN -1 CO 0.00 -1.96 0.24 0.00 -2.94 0.00 0.00 177.10 172.44 1y0b n ALA 0 N -3.23 1.71 0.00 3.54 0.00 -1.26 -1.61 120.51 119.66 1y0b n ALA 0 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1y0b n ALA 0 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1y0b n ALA 0 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y0b n GLU 2 N 0.82 0.00 -0.18 0.00 1.02 -1.26 -1.28 120.64 119.75 1y0b n GLU 2 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1y0b n GLU 2 Cb 0.12 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.56 1y0b n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y0b h ALA 3 N 0.00 0.67 -0.36 0.62 0.00 -1.65 -1.10 119.26 117.44 1y0b h ALA 3 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1y0b h ALA 3 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y0b h ALA 3 CO 0.00 0.18 0.08 1.25 0.00 0.00 0.00 179.25 180.75 1y0b h LEU 4 N 0.71 0.56 -0.71 0.00 5.85 -1.45 -1.64 115.31 118.62 1y0b h LEU 4 Ca 0.19 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1y0b h LEU 4 Cb 0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1y0b h LEU 4 CO -0.03 0.66 0.39 0.11 -0.34 0.00 0.00 178.44 179.23 1y0b h LYS 5 N 0.44 0.99 -0.06 1.25 1.57 -1.77 -1.07 116.57 117.91 1y0b h LYS 5 Ca 0.11 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1y0b h LYS 5 Cb 0.32 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1y0b h LYS 5 CO 0.00 0.74 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.41 1y0b h ARG 6 N 0.98 -0.18 -0.47 3.15 2.43 -1.07 -0.23 114.38 118.98 1y0b h ARG 6 Ca 0.25 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1y0b h ARG 6 Cb 0.03 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1y0b h ARG 6 CO -0.04 -0.12 0.19 0.87 -1.51 0.00 0.00 179.97 179.37 1y0b h LYS 7 N -0.18 0.38 -0.36 0.20 1.79 -1.00 0.28 116.57 117.68 1y0b h LYS 7 Ca 0.06 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1y0b h LYS 7 Cb 0.27 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1y0b h LYS 7 CO -0.17 0.25 0.20 0.82 -1.08 0.00 0.00 179.45 179.47 1y0b h ILE 8 N 0.39 1.14 -0.39 1.86 2.04 -0.98 0.29 117.51 121.85 1y0b h ILE 8 Ca 0.22 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1y0b h ILE 8 Cb 0.19 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1y0b h ILE 8 CO -0.20 0.14 0.24 -0.33 0.00 0.00 0.00 178.15 178.01 1y0b h GLU 9 N 0.46 0.53 -0.13 2.37 5.08 -0.63 -1.01 114.58 121.26 1y0b h GLU 9 Ca 0.13 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1y0b h GLU 9 Cb 0.05 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1y0b h GLU 9 CO -0.02 0.39 -0.65 0.93 -1.00 0.00 0.00 179.01 178.66 1y0b h GLU 10 N 0.52 0.67 0.00 2.33 3.07 -0.21 -3.41 114.58 117.55 1y0b h GLU 10 Ca 0.14 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1y0b h GLU 10 Cb -0.01 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1y0b h GLU 10 CO -0.03 1.16 -0.76 0.39 -1.40 0.00 0.00 179.01 178.37 1y0b n GLU 11 N -4.08 1.44 -1.97 2.33 1.02 0.10 -5.03 120.64 114.46 1y0b n GLU 11 Ca -0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 1y0b n GLU 11 Cb 0.68 -0.87 -0.01 0.00 -0.02 0.00 0.00 31.44 31.21 1y0b n GLU 11 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1y0b s GLY 12 N -1.63 2.87 -0.20 0.62 0.00 -0.38 -4.86 107.32 103.74 1y0b s GLY 12 Ca 0.00 1.40 -0.00 0.00 0.00 0.00 0.00 44.72 46.12 1y0b s GLY 12 CO 0.00 2.11 -0.15 0.14 0.00 0.00 0.00 173.10 175.20 1y0b s VAL 13 N -0.96 2.39 -0.29 1.40 1.01 0.01 -4.90 120.40 119.05 1y0b s VAL 13 Ca 0.52 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1y0b s VAL 13 Cb -0.43 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 33.90 1y0b s VAL 13 CO 0.56 0.46 1.04 -0.69 0.00 0.00 0.00 175.10 176.47 1y0b s VAL 14 N 1.32 4.58 -0.13 2.92 1.01 -1.26 -0.23 120.40 128.61 1y0b s VAL 14 Ca 0.04 1.77 0.18 0.00 0.00 0.00 0.00 61.98 63.97 1y0b s VAL 14 Cb -0.14 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.64 1y0b s VAL 14 CO -0.10 -0.38 0.42 0.18 0.00 0.00 0.00 175.10 175.21 1y0b n LEU 15 N 6.67 0.31 0.00 3.92 4.77 -0.52 -4.95 117.00 127.20 1y0b n LEU 15 Ca 0.11 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 1y0b n LEU 15 Cb 0.47 0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1y0b n LEU 15 CO 0.57 0.28 0.69 -1.54 -1.33 0.00 0.00 177.39 176.06 1y0b n SER 16 N -2.70 -1.49 0.32 -1.43 3.41 -1.18 -4.95 113.62 105.60 1y0b n SER 16 Ca -0.19 -1.78 0.21 0.00 -0.26 0.00 0.00 58.87 56.84 1y0b n SER 16 Cb 0.93 2.42 1.11 0.00 -0.26 0.00 0.00 64.21 68.41 1y0b n SER 16 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1y0b h ASP 17 N 1.69 0.00 0.00 4.04 3.45 -1.98 -3.13 116.42 120.49 1y0b h ASP 17 Ca -0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.23 1y0b h ASP 17 Cb 1.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.80 1y0b h ASP 17 CO 0.31 0.01 -0.24 0.00 -1.57 0.00 0.00 179.24 177.75 1y0b n GLN 18 N -3.24 5.45 -4.18 3.56 3.00 -1.26 -4.35 117.38 116.35 1y0b n GLN 18 Ca -0.03 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.65 1y0b n GLN 18 Cb 0.10 -0.67 -0.16 0.00 0.00 0.00 0.00 30.24 29.50 1y0b n GLN 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1y0b s VAL 19 N -1.35 1.80 -0.21 5.09 1.01 -1.18 -5.10 120.40 120.46 1y0b s VAL 19 Ca 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1y0b s VAL 19 Cb 0.02 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1y0b s VAL 19 CO 0.11 0.50 -0.02 -0.22 0.00 0.00 0.00 175.10 175.47 1y0b s LEU 20 N 1.28 3.11 -0.30 3.92 2.96 -1.26 -1.44 118.68 126.96 1y0b s LEU 20 Ca 0.02 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 1y0b s LEU 20 Cb -0.13 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1y0b s LEU 20 CO -0.10 0.04 0.53 -0.75 -1.32 0.00 0.00 176.35 174.75 1y0b s LYS 21 N 1.15 3.88 -0.30 1.98 2.20 0.68 -4.94 119.74 124.39 1y0b s LYS 21 Ca 0.02 0.13 0.14 0.00 -0.36 0.00 0.00 55.97 55.90 1y0b s LYS 21 Cb -0.14 -3.72 0.47 0.00 -1.51 0.00 0.00 37.83 32.93 1y0b s LYS 21 CO 0.01 -0.49 1.13 1.33 -0.36 0.00 0.00 175.35 176.96 1y0b n VAL 22 N 5.30 1.91 0.38 4.02 0.24 -1.26 -0.81 118.33 128.10 1y0b n VAL 22 Ca -0.04 -3.73 0.11 0.00 -2.04 0.00 0.00 64.34 58.64 1y0b n VAL 22 Cb 0.49 -0.11 0.48 0.00 -1.47 0.00 0.00 33.84 33.23 1y0b n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1y0b n ASP 23 N -0.57 0.58 0.17 -1.34 8.00 -1.26 -1.52 116.55 120.60 1y0b n ASP 23 Ca 0.27 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.55 1y0b n ASP 23 Cb 0.86 -0.77 0.23 0.00 -0.02 0.00 0.00 41.12 41.41 1y0b n ASP 23 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1y0b h SER 24 N 0.00 0.00 0.00 -2.24 4.64 -1.89 0.35 113.55 114.41 1y0b h SER 24 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1y0b h SER 24 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1y0b h SER 24 CO 0.00 0.01 -0.07 2.22 -0.87 0.00 0.00 176.83 178.12 1y0b n PHE 25 N -2.76 0.00 0.00 4.77 1.16 -1.10 -4.53 117.46 115.00 1y0b n PHE 25 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 1y0b n PHE 25 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 1y0b n PHE 25 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1y0b n LEU 26 N -0.14 1.70 -0.49 5.98 7.94 -0.58 -1.98 117.00 129.44 1y0b n LEU 26 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1y0b n LEU 26 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1y0b n LEU 26 CO 0.00 0.25 0.47 0.59 -1.11 0.00 0.00 177.39 177.59 1y0b n ASN 27 N -2.44 2.14 0.19 1.96 3.02 -1.10 -4.80 115.26 114.23 1y0b n ASN 27 Ca 0.00 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 1y0b n ASN 27 Cb 0.39 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1y0b n ASN 27 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1y0b n HIS 28 N 0.62 -3.91 -3.13 3.10 -0.00 -1.22 -4.93 115.22 105.75 1y0b n HIS 28 Ca 0.08 1.18 -0.38 0.00 0.46 0.00 0.00 57.72 59.05 1y0b n HIS 28 Cb 0.31 2.82 -0.06 0.00 -0.12 0.00 0.00 29.99 32.94 1y0b n HIS 28 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1y0b s GLN 29 N -1.88 4.35 -0.08 1.57 0.74 0.11 -5.05 119.66 119.43 1y0b s GLN 29 Ca 0.00 0.92 0.05 0.00 0.05 0.00 0.00 55.36 56.38 1y0b s GLN 29 Cb 0.00 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 1y0b s GLN 29 CO 0.00 0.57 -0.24 0.42 -0.55 0.00 0.00 175.29 175.49 1y0b s ILE 30 N -1.20 2.09 -0.60 -2.34 1.01 -1.26 -1.92 121.20 116.98 1y0b s ILE 30 Ca 0.34 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 1y0b s ILE 30 Cb -0.20 -1.77 0.10 0.00 0.01 0.00 0.00 42.46 40.59 1y0b s ILE 30 CO 0.22 0.57 0.74 -0.62 0.00 0.00 0.00 174.94 175.85 1y0b s ASP 31 N 0.06 6.18 0.32 3.58 -1.08 -0.84 -4.95 116.67 119.95 1y0b s ASP 31 Ca -0.10 -1.35 0.02 0.00 -0.52 0.00 0.00 52.55 50.60 1y0b s ASP 31 Cb -0.16 -2.32 0.55 0.00 -1.46 0.00 0.00 42.92 39.53 1y0b s ASP 31 CO 0.06 -1.16 1.89 -0.65 0.52 0.00 0.00 175.17 175.83 1y0b h PRO 32 N 9.24 0.69 -0.34 4.34 0.11 -1.98 -2.60 132.00 141.46 1y0b h PRO 32 Ca -0.29 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1y0b h PRO 32 Cb 1.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1y0b h PRO 32 CO 1.11 0.61 0.12 1.25 -0.21 0.00 0.00 178.00 180.89 1y0b h LEU 33 N 0.68 0.49 -1.92 2.35 5.85 -2.01 -0.35 115.31 120.40 1y0b h LEU 33 Ca 0.16 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1y0b h LEU 33 Cb 0.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1y0b h LEU 33 CO -0.01 0.54 0.00 -0.11 -0.34 0.00 0.00 178.44 178.52 1y0b n LEU 34 N -4.68 0.00 0.00 2.25 7.94 -0.98 -1.87 117.00 119.66 1y0b n LEU 34 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1y0b n LEU 34 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1y0b n LEU 34 CO 0.37 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 178.32 1y0b n GLN 36 N 0.92 0.00 -0.23 1.96 7.27 -0.14 -0.91 117.38 126.24 1y0b n GLN 36 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1y0b n GLN 36 Cb 0.00 0.00 0.05 0.00 2.41 0.00 0.00 30.24 32.70 1y0b n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1y0b h ARG 37 N 0.00 0.89 -0.07 3.69 3.08 -1.65 0.84 114.38 121.17 1y0b h ARG 37 Ca 0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1y0b h ARG 37 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1y0b h ARG 37 CO 0.00 0.63 0.02 0.82 -1.07 0.00 0.00 179.97 180.37 1y0b h ILE 38 N 0.89 0.98 -0.60 2.04 2.04 -1.30 -1.21 117.51 120.36 1y0b h ILE 38 Ca 0.24 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1y0b h ILE 38 Cb -0.03 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1y0b h ILE 38 CO -0.04 0.01 0.33 1.23 0.00 0.00 0.00 178.15 179.68 1y0b h GLY 39 N 0.05 0.89 1.38 5.37 0.00 -1.72 -1.30 103.07 107.75 1y0b h GLY 39 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1y0b h GLY 39 CO -0.03 0.38 0.32 -0.55 0.00 0.00 0.00 176.54 176.66 1y0b h ASP 40 N 0.81 0.72 -0.13 0.19 3.32 -0.73 -0.01 116.42 120.59 1y0b h ASP 40 Ca 0.21 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1y0b h ASP 40 Cb 0.03 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1y0b h ASP 40 CO -0.03 0.59 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.83 1y0b h GLU 41 N 0.82 0.34 -0.59 3.56 4.57 -0.70 -1.00 114.58 121.58 1y0b h GLU 41 Ca 0.21 -0.19 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1y0b h GLU 41 Cb 0.03 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1y0b h GLU 41 CO -0.03 0.76 0.32 0.74 -1.18 0.00 0.00 179.01 179.61 1y0b h PHE 42 N -0.05 0.58 -0.70 0.92 0.05 -1.07 -1.91 116.94 114.76 1y0b h PHE 42 Ca 0.02 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.84 1y0b h PHE 42 Cb 0.71 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.45 1y0b h PHE 42 CO 0.09 0.28 0.46 0.00 -0.18 0.00 0.00 178.31 178.96 1y0b h ALA 43 N 1.31 0.88 -0.74 2.45 0.00 -0.91 -2.02 119.26 120.24 1y0b h ALA 43 Ca 0.26 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1y0b h ALA 43 Cb 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1y0b h ALA 43 CO -0.17 0.30 0.48 1.03 0.00 0.00 0.00 179.25 180.89 1y0b h SER 44 N 0.94 0.82 0.50 0.00 0.87 -0.77 0.17 113.55 116.08 1y0b h SER 44 Ca 0.26 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1y0b h SER 44 Cb -0.10 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1y0b h SER 44 CO -0.06 0.59 -0.44 0.03 -0.53 0.00 0.00 176.83 176.42 1y0b h ARG 45 N 0.97 0.00 -0.29 2.24 3.08 -0.93 -3.13 114.38 116.32 1y0b h ARG 45 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1y0b h ARG 45 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1y0b h ARG 45 CO -0.08 0.44 0.00 1.19 -1.07 0.00 0.00 179.97 180.46 1y0b n PHE 46 N -3.93 0.71 -0.30 3.04 3.01 -0.80 -4.76 117.46 114.43 1y0b n PHE 46 Ca -0.01 -0.71 0.09 0.00 1.01 0.00 0.00 57.45 57.82 1y0b n PHE 46 Cb 0.48 -0.19 0.30 0.00 -0.01 0.00 0.00 39.48 40.07 1y0b n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y0b h ALA 47 N 1.85 1.66 -0.67 4.37 0.00 -0.62 -2.50 119.26 123.35 1y0b h ALA 47 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1y0b h ALA 47 Cb 1.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1y0b h ALA 47 CO 0.12 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.12 1y0b n LYS 48 N -4.56 2.76 -0.26 0.00 4.01 -1.26 -4.55 118.16 114.29 1y0b n LYS 48 Ca 0.17 -2.56 0.11 0.00 -0.51 0.00 0.00 58.31 55.52 1y0b n LYS 48 Cb 0.37 -1.52 0.27 0.00 -0.51 0.00 0.00 35.03 33.64 1y0b n LYS 48 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1y0b n ASP 49 N 1.45 3.48 -2.97 4.39 8.00 -0.94 -4.96 116.55 125.00 1y0b n ASP 49 Ca 0.22 -1.98 -0.21 0.00 0.71 0.00 0.00 54.79 53.54 1y0b n ASP 49 Cb 0.59 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 41.39 1y0b n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y0b n GLY 50 N 1.53 -0.38 3.72 0.44 0.00 -1.26 -4.95 105.19 104.30 1y0b n GLY 50 Ca 0.21 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1y0b n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y0b s ILE 51 N -3.20 2.14 -0.20 -0.61 -1.09 -1.26 -4.65 121.20 112.33 1y0b s ILE 51 Ca 0.40 0.11 0.13 0.00 -2.23 0.00 0.00 60.65 59.05 1y0b s ILE 51 Cb -0.18 -3.07 -0.18 0.00 -1.58 0.00 0.00 42.46 37.46 1y0b s ILE 51 CO 0.49 0.01 0.36 0.35 -1.23 0.00 0.00 174.94 174.92 1y0b n THR 52 N 3.66 0.00 -3.58 2.92 -2.24 -0.42 -4.96 114.28 109.66 1y0b n THR 52 Ca 0.14 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1y0b n THR 52 Cb 0.36 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 1y0b n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1y0b s LYS 53 N -2.66 0.74 -0.12 -0.78 2.20 -1.23 -4.24 119.74 113.65 1y0b s LYS 53 Ca -0.02 0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 1y0b s LYS 53 Cb 0.09 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1y0b s LYS 53 CO 0.52 -0.18 0.06 0.42 -0.36 0.00 0.00 175.35 175.81 1y0b s ILE 54 N -0.58 4.78 -0.07 5.43 -1.09 -0.13 -1.49 121.20 128.05 1y0b s ILE 54 Ca -0.03 -0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.38 1y0b s ILE 54 Cb -0.02 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.79 1y0b s ILE 54 CO 0.02 0.58 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.37 1y0b s VAL 55 N -0.62 2.02 0.00 2.92 1.01 -0.52 -0.04 120.40 125.16 1y0b s VAL 55 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1y0b s VAL 55 Cb -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1y0b s VAL 55 CO 0.02 0.56 0.00 1.07 0.00 0.00 0.00 175.10 176.75 1y0b n THR 56 N 3.18 0.00 -4.06 3.92 5.66 0.34 -1.27 114.28 122.05 1y0b n THR 56 Ca -0.18 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.68 1y0b n THR 56 Cb 0.52 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.17 1y0b n THR 56 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1y0b s ILE 57 N -1.87 0.31 0.66 1.09 2.07 -1.26 -0.71 121.20 121.48 1y0b s ILE 57 Ca 0.00 -0.34 -0.17 0.00 -1.41 0.00 0.00 60.65 58.73 1y0b s ILE 57 Cb 0.00 -0.29 -0.00 0.00 0.13 0.00 0.00 42.46 42.29 1y0b s ILE 57 CO 0.00 -0.03 1.26 -1.83 -1.91 0.00 0.00 174.94 172.43 1y0b s GLU 58 N -0.39 2.54 -0.17 3.50 -1.05 -0.85 -3.34 118.70 118.94 1y0b s GLU 58 Ca -0.01 1.95 0.04 0.00 -0.15 0.00 0.00 54.97 56.79 1y0b s GLU 58 Cb -0.03 -1.86 -0.13 0.00 -0.44 0.00 0.00 34.13 31.67 1y0b s GLU 58 CO -0.00 -1.58 -0.11 0.43 0.95 0.00 0.00 175.26 174.96 1y0b n SER 59 N -2.03 2.41 0.23 0.83 7.64 -1.26 -4.78 113.62 116.65 1y0b n SER 59 Ca 0.15 -0.07 0.08 0.00 1.01 0.00 0.00 58.87 60.03 1y0b n SER 59 Cb 0.49 -0.01 0.53 0.00 -1.01 0.00 0.00 64.21 64.21 1y0b n SER 59 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1y0b h SER 60 N 0.00 0.00 0.76 6.43 0.02 -1.90 -2.38 113.55 116.48 1y0b h SER 60 Ca -0.39 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1y0b h SER 60 Cb 1.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 1y0b h SER 60 CO -0.04 0.23 -0.12 1.23 -1.14 0.00 0.00 176.83 176.99 1y0b h GLY 61 N 1.08 0.00 0.97 -3.77 0.00 -1.86 -3.36 103.07 96.14 1y0b h GLY 61 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1y0b h GLY 61 CO 0.03 0.00 -0.06 -2.22 0.00 0.00 0.00 176.54 174.29 1y0b h ILE 62 N 0.00 0.90 0.11 2.60 2.04 -1.59 -1.98 117.51 119.60 1y0b h ILE 62 Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1y0b h ILE 62 Cb 0.54 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1y0b h ILE 62 CO 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 1y0b h ALA 63 N 0.69 -0.20 -0.35 1.87 0.00 -1.77 0.16 119.26 119.67 1y0b h ALA 63 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1y0b h ALA 63 Cb 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1y0b h ALA 63 CO 0.03 -0.62 -0.04 -1.00 0.00 0.00 0.00 179.25 177.62 1y0b h PRO 64 N -0.22 0.56 -0.21 0.00 0.13 -1.78 -3.02 132.00 127.47 1y0b h PRO 64 Ca -0.00 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1y0b h PRO 64 Cb 0.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1y0b h PRO 64 CO -0.01 0.61 0.11 0.00 -0.23 0.00 0.00 178.00 178.48 1y0b h ALA 65 N 1.44 0.27 0.00 -0.56 0.00 -0.94 -1.84 119.26 117.62 1y0b h ALA 65 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y0b h ALA 65 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y0b h ALA 65 CO 0.02 -0.19 0.00 1.55 0.00 0.00 0.00 179.25 180.62 1y0b n VAL 66 N -4.88 0.38 0.00 0.00 3.14 0.54 -0.74 118.33 116.77 1y0b n VAL 66 Ca -0.03 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1y0b n VAL 66 Cb 0.08 -0.76 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1y0b n VAL 66 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1y0b n THR 68 N 1.04 0.00 -0.31 1.55 -1.04 -0.69 -0.40 114.28 114.43 1y0b n THR 68 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1y0b n THR 68 Cb 0.16 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.77 1y0b n THR 68 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1y0b h GLY 69 N 0.00 1.23 0.69 3.41 0.00 -1.19 -1.53 103.07 105.68 1y0b h GLY 69 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1y0b h GLY 69 CO 0.00 0.36 0.18 -2.00 0.00 0.00 0.00 176.54 175.08 1y0b h LEU 70 N 1.07 0.23 -0.27 3.11 5.85 -0.95 0.18 115.31 124.53 1y0b h LEU 70 Ca 0.34 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.94 1y0b h LEU 70 Cb -0.00 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1y0b h LEU 70 CO -0.11 0.17 -0.43 0.50 -0.34 0.00 0.00 178.44 178.23 1y0b h LYS 71 N 0.37 0.77 0.00 1.25 1.63 -1.72 -3.15 116.57 115.72 1y0b h LYS 71 Ca 0.19 -0.47 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 1y0b h LYS 71 Cb 0.14 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1y0b h LYS 71 CO -0.17 1.09 -0.19 -0.07 -3.45 0.00 0.00 179.45 176.66 1y0b h LEU 72 N 0.52 0.00 -0.68 5.20 3.38 -1.25 -3.48 115.31 119.00 1y0b h LEU 72 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y0b h LEU 72 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1y0b h LEU 72 CO 0.10 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1y0b n GLY 73 N 0.73 0.80 3.25 0.83 0.00 -0.04 -5.08 105.19 105.67 1y0b n GLY 73 Ca 0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 1y0b n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y0b s VAL 74 N -2.68 1.30 0.73 1.61 -7.23 -0.65 -5.05 120.40 108.43 1y0b s VAL 74 Ca 0.00 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 1y0b s VAL 74 Cb 0.00 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.31 1y0b s VAL 74 CO 0.00 -0.54 1.08 -2.84 -0.31 0.00 0.00 175.10 172.49 1y0b s PRO 75 N -3.10 2.54 -0.11 4.82 0.02 -1.26 -4.47 135.00 133.44 1y0b s PRO 75 Ca 0.12 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.30 1y0b s PRO 75 Cb -0.02 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1y0b s PRO 75 CO 0.03 -1.42 -0.16 0.08 -0.33 0.00 0.00 177.00 175.19 1y0b s VAL 76 N -2.86 1.60 -0.18 3.83 1.01 -1.26 -0.95 120.40 121.59 1y0b s VAL 76 Ca 0.61 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1y0b s VAL 76 Cb -0.17 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1y0b s VAL 76 CO 0.53 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 175.37 1y0b s VAL 77 N 0.96 3.78 -0.21 2.92 1.01 0.94 -4.97 120.40 124.83 1y0b s VAL 77 Ca -0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1y0b s VAL 77 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1y0b s VAL 77 CO -0.02 0.46 0.08 0.72 0.00 0.00 0.00 175.10 176.34 1y0b s PHE 78 N 0.77 3.19 0.59 5.22 -0.12 -1.26 -0.51 117.98 125.86 1y0b s PHE 78 Ca -0.01 -0.08 -0.19 0.00 -0.05 0.00 0.00 56.93 56.60 1y0b s PHE 78 Cb -0.14 -2.16 -0.04 0.00 -0.63 0.00 0.00 43.02 40.05 1y0b s PHE 78 CO 0.02 -0.04 1.20 0.00 -0.05 0.00 0.00 175.22 176.35 1y0b s ALA 79 N 0.91 2.56 0.04 1.99 0.00 0.11 -4.80 121.76 122.56 1y0b s ALA 79 Ca 0.04 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.04 1y0b s ALA 79 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1y0b s ALA 79 CO 0.03 -1.14 -0.04 1.03 0.00 0.00 0.00 175.76 175.64 1y0b s ARG 80 N -3.32 2.55 -0.03 0.00 0.52 -0.21 -2.01 118.95 116.45 1y0b s ARG 80 Ca 0.77 -0.76 0.22 0.00 -0.52 0.00 0.00 55.73 55.44 1y0b s ARG 80 Cb -0.30 -2.53 -0.31 0.00 0.52 0.00 0.00 34.95 32.33 1y0b s ARG 80 CO 0.33 0.58 0.49 1.63 0.02 0.00 0.00 175.30 178.34 1y0b n LYS 81 N 1.17 0.66 -4.30 3.54 5.02 -1.26 -1.37 118.16 121.61 1y0b n LYS 81 Ca -0.14 -0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 55.82 1y0b n LYS 81 Cb 0.52 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 1y0b n LYS 81 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1y0b s HIS 82 N -3.43 1.52 0.19 2.13 3.76 -1.26 -4.75 115.29 113.45 1y0b s HIS 82 Ca -0.08 -0.64 -0.32 0.00 -0.15 0.00 0.00 55.06 53.87 1y0b s HIS 82 Cb 0.13 -0.73 -0.15 0.00 1.11 0.00 0.00 32.58 32.94 1y0b s HIS 82 CO 0.90 0.24 1.19 0.36 -0.85 0.00 0.00 174.74 176.58 1y0b n LYS 83 N -0.23 1.32 -4.33 1.40 0.00 -1.26 -5.01 118.16 110.06 1y0b n LYS 83 Ca -0.09 0.47 -0.17 0.00 -0.00 0.00 0.00 58.31 58.51 1y0b n LYS 83 Cb 0.60 -1.99 -0.10 0.00 -0.00 0.00 0.00 35.03 33.55 1y0b n LYS 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1y0b s SER 84 N 0.00 1.36 0.17 -5.58 1.04 -1.26 -5.07 113.70 104.36 1y0b s SER 84 Ca 0.71 -1.43 -0.13 0.00 0.48 0.00 0.00 55.95 55.59 1y0b s SER 84 Cb -0.81 0.21 0.07 0.00 0.10 0.00 0.00 66.02 65.59 1y0b s SER 84 CO 0.52 -0.76 1.75 0.25 0.98 0.00 0.00 173.24 175.99 1y0b h LEU 85 N 2.32 0.75 -0.96 2.42 5.85 -2.07 -3.32 115.31 120.30 1y0b h LEU 85 Ca -0.37 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1y0b h LEU 85 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1y0b h LEU 85 CO 0.59 0.67 -0.09 0.35 -0.34 0.00 0.00 178.44 179.62 1y0b n THR 86 N -4.55 0.00 -2.87 1.05 -2.24 -1.26 -4.83 114.28 99.59 1y0b n THR 86 Ca 0.03 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 1y0b n THR 86 Cb 0.12 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1y0b n THR 86 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1y0b s LEU 87 N -1.11 4.80 0.00 3.22 2.96 -1.25 -4.68 118.68 122.62 1y0b s LEU 87 Ca 0.07 -2.00 0.00 0.00 -0.22 0.00 0.00 54.13 51.99 1y0b s LEU 87 Cb 0.06 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1y0b s LEU 87 CO 0.15 -1.12 0.00 0.35 -1.32 0.00 0.00 176.35 174.41 1y0b n THR 88 N 5.68 0.00 -4.15 3.68 -2.24 -1.26 -4.69 114.28 111.31 1y0b n THR 88 Ca 0.26 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1y0b n THR 88 Cb 0.49 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 1y0b n THR 88 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1y0b s ASP 89 N -0.89 0.23 -1.27 3.42 1.47 -1.26 -4.88 116.67 113.49 1y0b s ASP 89 Ca 0.00 -1.23 -0.05 0.00 1.18 0.00 0.00 52.55 52.45 1y0b s ASP 89 Cb 0.00 0.34 0.03 0.00 -0.34 0.00 0.00 42.92 42.95 1y0b s ASP 89 CO 0.00 -0.79 0.32 0.59 0.68 0.00 0.00 175.17 175.97 1y0b n ASN 90 N -0.17 -4.30 -4.69 2.11 3.02 -1.26 -4.56 115.26 105.42 1y0b n ASN 90 Ca -0.03 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 1y0b n ASN 90 Cb 0.64 -3.57 -0.03 0.00 -0.61 0.00 0.00 39.78 36.21 1y0b n ASN 90 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y0b s LEU 91 N -6.19 4.34 -0.20 3.41 1.02 -1.26 0.83 118.68 120.62 1y0b s LEU 91 Ca 0.22 2.27 -0.05 0.00 0.02 0.00 0.00 54.13 56.59 1y0b s LEU 91 Cb -0.11 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.51 1y0b s LEU 91 CO 0.28 -0.79 -0.01 -0.76 0.02 0.00 0.00 176.35 175.08 1y0b s LEU 92 N 2.54 3.23 0.13 1.79 1.43 0.12 -4.88 118.68 123.04 1y0b s LEU 92 Ca 0.68 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.66 1y0b s LEU 92 Cb -0.35 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1y0b s LEU 92 CO 0.29 0.07 -0.20 0.42 0.23 0.00 0.00 176.35 177.15 1y0b s THR 93 N 0.97 1.80 0.02 5.49 -4.23 -1.26 -1.03 115.64 117.40 1y0b s THR 93 Ca 0.01 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1y0b s THR 93 Cb -0.14 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 1y0b s THR 93 CO 0.02 -0.14 -0.05 0.00 -0.54 0.00 0.00 174.62 173.90 1y0b s ALA 94 N -1.48 0.34 -0.05 3.99 0.00 -0.50 -4.83 121.76 119.23 1y0b s ALA 94 Ca 0.11 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1y0b s ALA 94 Cb -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1y0b s ALA 94 CO 0.05 -0.05 0.58 -1.12 0.00 0.00 0.00 175.76 175.23 1y0b s SER 95 N -1.16 6.90 -0.13 0.00 0.01 -1.26 -1.30 113.70 116.76 1y0b s SER 95 Ca -0.09 1.07 -0.00 0.00 1.31 0.00 0.00 55.95 58.24 1y0b s SER 95 Cb -0.08 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.82 1y0b s SER 95 CO -0.00 0.04 -0.11 -0.69 0.41 0.00 0.00 173.24 172.89 1y0b s VAL 96 N 0.20 1.27 -0.13 3.43 1.01 0.14 -4.79 120.40 121.52 1y0b s VAL 96 Ca 0.31 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1y0b s VAL 96 Cb -0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1y0b s VAL 96 CO 0.16 0.41 0.07 -0.72 0.00 0.00 0.00 175.10 175.01 1y0b s TYR 97 N 1.58 3.33 -0.09 5.22 1.13 -1.26 0.39 117.35 127.65 1y0b s TYR 97 Ca 0.04 0.25 -0.13 0.00 -1.41 0.00 0.00 57.07 55.82 1y0b s TYR 97 Cb -0.13 -1.95 -0.05 0.00 -1.10 0.00 0.00 41.96 38.74 1y0b s TYR 97 CO -0.09 0.43 0.32 0.45 -2.51 0.00 0.00 175.55 174.16 1y0b s SER 98 N -0.45 6.58 -1.60 -0.18 0.15 -1.26 -4.87 113.70 112.07 1y0b s SER 98 Ca 0.10 0.69 -0.10 0.00 0.70 0.00 0.00 55.95 57.34 1y0b s SER 98 Cb -0.12 -2.20 -0.09 0.00 -1.71 0.00 0.00 66.02 61.91 1y0b s SER 98 CO 0.02 0.22 2.92 0.49 1.20 0.00 0.00 173.24 178.09 1y0b n PHE 99 N 2.70 2.40 0.00 3.44 3.01 -1.26 -4.81 117.46 122.93 1y0b n PHE 99 Ca -0.14 -3.05 0.00 0.00 1.01 0.00 0.00 57.45 55.27 1y0b n PHE 99 Cb 0.53 -2.47 0.00 0.00 -0.01 0.00 0.00 39.48 37.53 1y0b n PHE 99 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1y0b n THR 103 N 3.64 0.00 -4.36 4.37 -1.04 -1.26 -5.30 114.28 110.33 1y0b n THR 103 Ca 0.77 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.48 1y0b n THR 103 Cb 0.23 -0.23 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1y0b n THR 103 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1y0b s GLU 104 N -1.41 2.19 0.12 -2.82 2.12 -1.26 -4.47 118.70 113.18 1y0b s GLU 104 Ca 0.00 -0.96 -0.00 0.00 0.36 0.00 0.00 54.97 54.37 1y0b s GLU 104 Cb 0.00 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 1y0b s GLU 104 CO 0.00 0.53 0.01 -1.54 -0.54 0.00 0.00 175.26 173.73 1y0b s SER 105 N -1.90 0.62 -0.09 -1.70 1.04 0.16 -4.96 113.70 106.87 1y0b s SER 105 Ca 0.19 -1.14 -0.02 0.00 0.48 0.00 0.00 55.95 55.46 1y0b s SER 105 Cb -0.11 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1y0b s SER 105 CO 0.11 -0.64 0.01 -1.58 0.98 0.00 0.00 173.24 172.12 1y0b s GLN 106 N -3.97 3.03 0.16 4.02 2.00 -1.26 0.25 119.66 123.88 1y0b s GLN 106 Ca 0.19 -0.39 0.11 0.00 -2.00 0.00 0.00 55.36 53.27 1y0b s GLN 106 Cb 0.07 -2.82 -0.04 0.00 0.80 0.00 0.00 33.01 31.02 1y0b s GLN 106 CO -0.01 0.70 -0.24 0.96 -0.50 0.00 0.00 175.29 176.20 1y0b s ILE 107 N -0.86 2.41 -0.02 -2.34 -4.36 -0.42 -4.57 121.20 111.03 1y0b s ILE 107 Ca 0.13 -1.83 -0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1y0b s ILE 107 Cb -0.11 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.49 1y0b s ILE 107 CO 0.02 -0.00 0.14 0.00 0.24 0.00 0.00 174.94 175.34 1y0b s ALA 108 N -1.34 -0.34 0.01 2.27 0.00 -0.47 -1.42 121.76 120.47 1y0b s ALA 108 Ca 0.18 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1y0b s ALA 108 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1y0b s ALA 108 CO 0.08 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.70 1y0b s VAL 109 N -0.83 0.49 -0.09 0.00 1.01 -0.20 -1.04 120.40 119.74 1y0b s VAL 109 Ca -0.09 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1y0b s VAL 109 Cb -0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1y0b s VAL 109 CO 0.01 0.01 1.13 -0.55 0.00 0.00 0.00 175.10 175.70 1y0b s SER 110 N -0.50 7.11 0.18 3.32 0.15 -1.26 0.12 113.70 122.82 1y0b s SER 110 Ca -0.01 1.69 0.14 0.00 0.70 0.00 0.00 55.95 58.47 1y0b s SER 110 Cb -0.04 -2.56 0.71 0.00 -1.71 0.00 0.00 66.02 62.43 1y0b s SER 110 CO -0.00 -0.55 1.42 0.61 1.20 0.00 0.00 173.24 175.92 1y0b n GLY 111 N 3.29 -0.78 0.25 9.45 0.00 0.24 -1.63 105.19 116.02 1y0b n GLY 111 Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1y0b n GLY 111 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y0b h THR 112 N 0.00 0.98 -0.62 2.61 2.02 -1.88 -2.78 112.91 113.24 1y0b h THR 112 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1y0b h THR 112 Cb 0.05 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1y0b h THR 112 CO 0.00 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.35 1y0b n HIS 113 N -4.39 1.13 -3.70 3.16 -0.00 -0.64 -4.87 115.22 105.91 1y0b n HIS 113 Ca -0.03 -0.57 -0.15 0.00 -0.00 0.00 0.00 57.72 56.98 1y0b n HIS 113 Cb 0.14 -0.13 -0.15 0.00 -0.00 0.00 0.00 29.99 29.85 1y0b n HIS 113 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y0b s LEU 114 N -1.46 0.19 0.36 2.41 1.43 -1.05 -5.00 118.68 115.56 1y0b s LEU 114 Ca 0.46 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 1y0b s LEU 114 Cb 0.27 0.42 -0.07 0.00 0.03 0.00 0.00 46.19 46.85 1y0b s LEU 114 CO 0.26 -0.21 0.04 -0.94 0.23 0.00 0.00 176.35 175.74 1y0b s SER 115 N 1.85 2.92 0.00 2.29 1.04 -1.26 -4.81 113.70 115.72 1y0b s SER 115 Ca -0.02 -1.39 0.14 0.00 0.48 0.00 0.00 55.95 55.16 1y0b s SER 115 Cb -0.12 -0.16 0.71 0.00 0.10 0.00 0.00 66.02 66.55 1y0b s SER 115 CO -0.07 -0.57 1.36 -0.90 0.98 0.00 0.00 173.24 174.05 1y0b n ASP 116 N -0.81 0.00 -0.01 7.02 5.75 -1.17 -1.38 116.55 125.95 1y0b n ASP 116 Ca -0.04 0.07 0.14 0.00 -0.01 0.00 0.00 54.79 54.95 1y0b n ASP 116 Cb 0.67 -0.27 0.53 0.00 -1.03 0.00 0.00 41.12 41.01 1y0b n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y0b n GLN 117 N -1.27 0.07 -3.14 0.11 1.13 -1.26 -4.61 117.38 108.41 1y0b n GLN 117 Ca 0.07 -0.02 -0.38 0.00 -1.94 0.00 0.00 57.00 54.73 1y0b n GLN 117 Cb 0.11 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.90 1y0b n GLN 117 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1y0b s ASP 118 N -2.94 7.14 -0.28 1.08 1.01 -0.48 -4.99 116.67 117.21 1y0b s ASP 118 Ca 0.15 1.41 0.03 0.00 0.71 0.00 0.00 52.55 54.85 1y0b s ASP 118 Cb 0.19 -2.41 0.07 0.00 1.01 0.00 0.00 42.92 41.77 1y0b s ASP 118 CO 0.57 0.17 -0.07 -2.28 0.21 0.00 0.00 175.17 173.77 1y0b s HIS 119 N -1.27 3.31 -0.14 4.23 5.65 -1.26 -1.55 115.29 124.26 1y0b s HIS 119 Ca 0.36 -2.44 -0.07 0.00 0.25 0.00 0.00 55.06 53.16 1y0b s HIS 119 Cb -0.19 -2.12 -0.04 0.00 -1.18 0.00 0.00 32.58 29.04 1y0b s HIS 119 CO 0.22 -0.89 0.11 0.08 -0.65 0.00 0.00 174.74 173.61 1y0b s VAL 120 N 1.08 5.27 -0.28 0.89 1.01 0.63 -1.30 120.40 127.70 1y0b s VAL 120 Ca -0.04 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1y0b s VAL 120 Cb -0.20 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1y0b s VAL 120 CO -0.06 0.56 0.14 -0.22 0.00 0.00 0.00 175.10 175.52 1y0b s LEU 121 N -0.51 3.85 -0.03 3.92 2.96 -0.55 0.14 118.68 128.46 1y0b s LEU 121 Ca 0.12 -0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 53.60 1y0b s LEU 121 Cb -0.12 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1y0b s LEU 121 CO 0.02 -0.08 0.71 -0.63 -1.32 0.00 0.00 176.35 175.05 1y0b s ILE 122 N 1.68 4.95 -0.05 6.68 1.01 -0.49 -1.44 121.20 133.53 1y0b s ILE 122 Ca 0.06 1.49 0.04 0.00 0.00 0.00 0.00 60.65 62.24 1y0b s ILE 122 Cb -0.16 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 1y0b s ILE 122 CO 0.07 0.30 -0.18 -0.63 0.00 0.00 0.00 174.94 174.50 1y0b s ILE 123 N 0.47 1.52 0.09 2.92 -1.09 -0.39 0.27 121.20 124.98 1y0b s ILE 123 Ca 0.37 -0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 57.94 1y0b s ILE 123 Cb -0.19 -1.31 -0.00 0.00 -1.58 0.00 0.00 42.46 39.39 1y0b s ILE 123 CO 0.20 0.44 0.20 -0.62 -1.23 0.00 0.00 174.94 173.92 1y0b s ASP 124 N 0.05 0.10 -0.07 3.58 -1.08 -0.34 -4.33 116.67 114.58 1y0b s ASP 124 Ca -0.05 -0.62 -0.23 0.00 -0.52 0.00 0.00 52.55 51.13 1y0b s ASP 124 Cb -0.12 0.34 -0.18 0.00 -1.46 0.00 0.00 42.92 41.50 1y0b s ASP 124 CO 0.03 -0.72 0.86 -2.24 0.52 0.00 0.00 175.17 173.61 1y0b h ASP 125 N 2.77 -0.09 -4.10 -0.34 2.03 -1.87 -2.16 116.42 112.66 1y0b h ASP 125 Ca -0.34 -0.53 -0.69 0.00 -0.73 0.00 0.00 57.03 54.74 1y0b h ASP 125 Cb 1.20 0.02 -0.24 0.00 -0.83 0.00 0.00 39.33 39.48 1y0b h ASP 125 CO 0.56 0.57 -0.83 -0.36 -1.03 0.00 0.00 179.24 178.15 1y0b s PHE 126 N -3.12 2.50 -0.23 4.15 0.08 -1.26 -0.57 117.98 119.53 1y0b s PHE 126 Ca -0.14 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.63 1y0b s PHE 126 Cb -0.00 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1y0b s PHE 126 CO 0.54 0.19 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.54 1y0b s LEU 127 N -1.24 2.88 0.00 -0.37 2.96 -0.30 -4.96 118.68 117.64 1y0b s LEU 127 Ca 0.13 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 1y0b s LEU 127 Cb -0.10 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1y0b s LEU 127 CO 0.03 -0.10 0.00 0.00 -1.32 0.00 0.00 176.35 174.96 1y0b n ALA 128 N 4.54 0.00 0.50 5.97 0.00 -1.26 -1.09 120.51 129.17 1y0b n ALA 128 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1y0b n ALA 128 Cb 0.46 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.29 1y0b n ALA 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1y0b h ASN 129 N 0.00 0.00 0.00 0.00 2.35 -1.92 -0.22 115.58 115.78 1y0b h ASN 129 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1y0b h ASN 129 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1y0b h ASN 129 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1y0b n GLY 130 N 1.05 0.71 0.29 2.83 0.00 -1.26 -3.85 105.19 104.96 1y0b n GLY 130 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1y0b n GLY 130 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1y0b h GLN 131 N 2.43 1.02 -0.67 1.61 1.08 -1.92 -1.48 115.11 117.18 1y0b h GLN 131 Ca 0.00 -0.28 -0.08 0.00 -1.45 0.00 0.00 58.65 56.85 1y0b h GLN 131 Cb 0.00 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1y0b h GLN 131 CO 0.00 0.96 0.12 0.00 -0.95 0.00 0.00 178.83 178.96 1y0b h ALA 132 N 1.02 0.95 -0.36 3.87 0.00 -1.93 -1.44 119.26 121.37 1y0b h ALA 132 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1y0b h ALA 132 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y0b h ALA 132 CO 0.01 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.11 1y0b h ALA 133 N 1.10 0.47 -0.99 0.00 0.00 -1.88 -0.86 119.26 117.10 1y0b h ALA 133 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1y0b h ALA 133 Cb 0.42 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1y0b h ALA 133 CO 0.01 0.02 0.63 0.45 0.00 0.00 0.00 179.25 180.36 1y0b h HIS 134 N 0.46 1.15 -0.37 0.00 -0.00 -1.13 -0.05 115.15 115.21 1y0b h HIS 134 Ca 0.13 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1y0b h HIS 134 Cb 0.09 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1y0b h HIS 134 CO -0.02 0.56 0.13 0.78 -0.00 0.00 0.00 177.93 179.37 1y0b h GLY 135 N 1.09 0.61 1.06 2.45 0.00 -0.73 -0.22 103.07 107.33 1y0b h GLY 135 Ca 0.45 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1y0b h GLY 135 CO -0.20 0.33 0.17 1.41 0.00 0.00 0.00 176.54 178.25 1y0b h LEU 136 N 0.45 1.06 -0.25 3.11 3.38 -0.82 -1.04 115.31 121.20 1y0b h LEU 136 Ca 0.12 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1y0b h LEU 136 Cb 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1y0b h LEU 136 CO -0.01 1.02 0.05 0.58 0.09 0.00 0.00 178.44 180.17 1y0b h VAL 137 N 1.05 0.89 -0.38 1.22 2.07 -0.86 -1.82 116.25 118.42 1y0b h VAL 137 Ca 0.22 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1y0b h VAL 137 Cb 0.38 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1y0b h VAL 137 CO 0.00 0.03 0.08 -1.28 0.02 0.00 0.00 177.57 176.42 1y0b h SER 138 N 0.15 0.01 -0.65 0.57 0.87 -0.69 -1.12 113.55 112.69 1y0b h SER 138 Ca 0.11 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1y0b h SER 138 Cb 0.11 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1y0b h SER 138 CO -0.15 0.04 0.38 0.40 -0.53 0.00 0.00 176.83 176.98 1y0b h ILE 139 N 0.20 1.19 -0.38 2.23 2.04 -0.92 0.12 117.51 122.00 1y0b h ILE 139 Ca 0.18 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1y0b h ILE 139 Cb 0.22 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1y0b h ILE 139 CO -0.24 0.20 0.08 0.58 0.00 0.00 0.00 178.15 178.77 1y0b h VAL 140 N 0.88 1.23 -0.96 1.67 2.07 -1.11 -2.29 116.25 117.74 1y0b h VAL 140 Ca 0.23 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1y0b h VAL 140 Cb -0.01 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1y0b h VAL 140 CO -0.04 0.28 0.62 0.11 0.02 0.00 0.00 177.57 178.56 1y0b h LYS 141 N 0.46 1.28 -0.46 1.57 1.57 -0.90 -2.34 116.57 117.76 1y0b h LYS 141 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1y0b h LYS 141 Cb 0.33 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1y0b h LYS 141 CO 0.00 0.86 0.29 1.96 -0.57 0.00 0.00 179.45 181.99 1y0b h GLN 142 N 1.31 0.61 0.00 3.15 4.20 -0.41 -1.37 115.11 122.59 1y0b h GLN 142 Ca 0.35 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1y0b h GLN 142 Cb -0.13 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1y0b h GLN 142 CO -0.07 0.41 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 1y0b n ALA 143 N -2.47 2.11 -0.82 3.87 0.00 -0.89 -4.89 120.51 117.42 1y0b n ALA 143 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1y0b n ALA 143 Cb 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1y0b n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y0b n GLY 144 N 0.89 0.72 3.89 0.00 0.00 -0.52 -3.04 105.19 107.14 1y0b n GLY 144 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1y0b n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0b s ALA 145 N -2.69 3.22 0.19 4.61 0.00 -0.92 -4.37 121.76 121.81 1y0b s ALA 145 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1y0b s ALA 145 Cb 0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1y0b s ALA 145 CO 0.00 -0.56 0.28 -1.54 0.00 0.00 0.00 175.76 173.95 1y0b s SER 146 N -4.16 6.17 -0.24 0.00 1.04 -0.59 -4.24 113.70 111.69 1y0b s SER 146 Ca 0.52 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 1y0b s SER 146 Cb -0.11 -1.80 -0.02 0.00 0.10 0.00 0.00 66.02 64.19 1y0b s SER 146 CO 0.50 0.01 0.03 -0.63 0.98 0.00 0.00 173.24 174.13 1y0b s ILE 147 N -1.85 4.01 0.12 -1.02 1.01 -1.26 -0.27 121.20 121.93 1y0b s ILE 147 Ca 0.34 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1y0b s ILE 147 Cb -0.10 -2.86 -0.22 0.00 0.01 0.00 0.00 42.46 39.29 1y0b s ILE 147 CO 0.28 0.37 1.26 0.00 0.00 0.00 0.00 174.94 176.85 1y0b h ALA 148 N 8.15 0.32 0.00 9.38 0.00 -0.61 -3.46 119.26 133.04 1y0b h ALA 148 Ca -0.39 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1y0b h ALA 148 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1y0b h ALA 148 CO 0.59 1.17 0.00 0.41 0.00 0.00 0.00 179.25 181.42 1y0b n GLY 149 N 1.35 -2.48 2.96 0.00 0.00 -1.23 -4.65 105.19 101.14 1y0b n GLY 149 Ca -0.02 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1y0b n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y0b s ILE 150 N -2.20 1.26 -0.19 -0.61 1.01 0.68 -1.40 121.20 119.75 1y0b s ILE 150 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1y0b s ILE 150 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1y0b s ILE 150 CO 0.00 0.41 0.06 -0.83 0.00 0.00 0.00 174.94 174.57 1y0b s GLY 151 N 1.55 1.89 -0.05 6.18 0.00 0.14 -0.26 107.32 116.77 1y0b s GLY 151 Ca 0.04 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.02 1y0b s GLY 151 CO -0.08 0.08 -0.16 -0.42 0.00 0.00 0.00 173.10 172.52 1y0b s ILE 152 N 0.46 1.38 -0.05 0.90 -1.09 -0.15 -1.20 121.20 121.45 1y0b s ILE 152 Ca 0.03 -0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 57.58 1y0b s ILE 152 Cb -0.13 -1.20 -0.14 0.00 -1.58 0.00 0.00 42.46 39.42 1y0b s ILE 152 CO 0.01 0.40 0.83 0.58 -1.23 0.00 0.00 174.94 175.53 1y0b h VAL 153 N 5.42 0.64 -3.21 2.92 2.07 -1.20 -1.22 116.25 121.66 1y0b h VAL 153 Ca -0.31 -0.98 -0.57 0.00 0.82 0.00 0.00 66.70 65.65 1y0b h VAL 153 Cb 1.18 1.07 -0.35 0.00 -1.52 0.00 0.00 31.29 31.66 1y0b h VAL 153 CO 0.48 0.16 -0.83 -0.63 0.02 0.00 0.00 177.57 176.77 1y0b s ILE 154 N -3.44 1.39 -0.14 4.57 1.01 0.26 -1.55 121.20 123.29 1y0b s ILE 154 Ca -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1y0b s ILE 154 Cb 0.01 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1y0b s ILE 154 CO 0.42 0.42 -0.08 -0.70 0.00 0.00 0.00 174.94 175.01 1y0b s GLU 155 N 1.29 3.51 -0.73 2.79 2.12 0.70 -1.15 118.70 127.23 1y0b s GLU 155 Ca -0.01 -0.59 -0.18 0.00 0.36 0.00 0.00 54.97 54.55 1y0b s GLU 155 Cb -0.14 -2.78 0.13 0.00 0.26 0.00 0.00 34.13 31.60 1y0b s GLU 155 CO -0.06 0.25 0.85 0.15 -0.54 0.00 0.00 175.26 175.91 1y0b s LYS 156 N 0.30 3.29 0.38 4.30 1.02 -0.25 -0.01 119.74 128.78 1y0b s LYS 156 Ca -0.06 -1.59 0.28 0.00 0.02 0.00 0.00 55.97 54.61 1y0b s LYS 156 Cb -0.15 -4.46 1.29 0.00 -0.52 0.00 0.00 37.83 33.99 1y0b s LYS 156 CO 0.04 -1.58 1.84 0.77 -0.92 0.00 0.00 175.35 175.49 1y0b h SER 157 N 8.89 0.00 0.44 2.83 0.02 -1.13 -2.14 113.55 122.46 1y0b h SER 157 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1y0b h SER 157 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1y0b h SER 157 CO 1.05 0.00 -0.14 2.22 -1.14 0.00 0.00 176.83 178.82 1y0b n PHE 158 N -2.52 0.00 -4.06 3.45 1.16 -1.25 -4.81 117.46 109.44 1y0b n PHE 158 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.33 1y0b n PHE 158 Cb 0.18 -0.22 -0.05 0.00 -1.61 0.00 0.00 39.48 37.78 1y0b n PHE 158 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1y0b s GLN 159 N -2.59 3.03 0.00 3.97 -0.21 -0.81 -5.05 119.66 118.01 1y0b s GLN 159 Ca 0.25 -0.84 0.17 0.00 0.02 0.00 0.00 55.36 54.96 1y0b s GLN 159 Cb 0.20 -2.70 0.83 0.00 1.00 0.00 0.00 33.01 32.33 1y0b s GLN 159 CO 0.51 0.48 1.54 -0.35 -2.12 0.00 0.00 175.29 175.34 1y0b n PRO 160 N -0.57 0.15 0.05 2.91 -0.04 -1.25 -4.24 135.00 132.00 1y0b n PRO 160 Ca -0.08 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1y0b n PRO 160 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1y0b n PRO 160 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1y0b h GLY 161 N 2.92 -0.31 0.88 0.55 0.00 -1.13 -2.32 103.07 103.66 1y0b h GLY 161 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1y0b h GLY 161 CO 0.00 -0.20 -0.06 -0.09 0.00 0.00 0.00 176.54 176.20 1y0b h ARG 162 N -0.34 -0.11 -0.91 4.80 2.43 -1.77 -2.72 114.38 115.76 1y0b h ARG 162 Ca 0.07 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1y0b h ARG 162 Cb 0.44 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1y0b h ARG 162 CO -0.22 -0.07 0.59 -0.44 -1.51 0.00 0.00 179.97 178.31 1y0b h ASP 163 N -0.12 0.90 -0.28 -3.80 3.32 -1.81 -0.28 116.42 114.35 1y0b h ASP 163 Ca 0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1y0b h ASP 163 Cb 0.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1y0b h ASP 163 CO -0.04 0.57 0.11 -0.33 -1.72 0.00 0.00 179.24 177.83 1y0b h GLU 164 N 1.02 0.43 -0.31 3.56 5.08 -1.19 -0.42 114.58 122.75 1y0b h GLU 164 Ca 0.39 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1y0b h GLU 164 Cb 0.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1y0b h GLU 164 CO -0.15 0.46 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.16 1y0b h LEU 165 N 0.31 0.61 -0.62 1.33 3.38 -1.14 -2.39 115.31 116.79 1y0b h LEU 165 Ca 0.09 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1y0b h LEU 165 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1y0b h LEU 165 CO -0.01 0.84 0.37 0.58 0.09 0.00 0.00 178.44 180.32 1y0b h VAL 166 N 0.37 1.05 -0.31 1.22 2.07 -1.03 -1.92 116.25 117.70 1y0b h VAL 166 Ca 0.08 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1y0b h VAL 166 Cb 0.58 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1y0b h VAL 166 CO 0.03 0.13 0.17 0.50 0.02 0.00 0.00 177.57 178.43 1y0b h LYS 167 N 0.73 0.42 -0.00 1.57 3.64 -0.92 -0.72 116.57 121.29 1y0b h LYS 167 Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1y0b h LYS 167 Cb 0.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1y0b h LYS 167 CO -0.12 0.31 -0.00 1.28 -2.27 0.00 0.00 179.45 178.64 1y0b n LEU 168 N -4.46 0.06 0.00 5.20 4.77 -0.91 -4.89 117.00 116.77 1y0b n LEU 168 Ca 0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1y0b n LEU 168 Cb 0.09 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1y0b n LEU 168 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1y0b n GLY 169 N 1.09 0.89 3.79 -0.72 0.00 -0.27 -5.07 105.19 104.89 1y0b n GLY 169 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1y0b n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y0b s TYR 170 N -2.03 3.78 -0.30 1.61 2.02 -0.77 -5.01 117.35 116.66 1y0b s TYR 170 Ca 0.00 1.31 -0.29 0.00 -0.37 0.00 0.00 57.07 57.72 1y0b s TYR 170 Cb 0.00 -2.58 0.01 0.00 -0.40 0.00 0.00 41.96 38.99 1y0b s TYR 170 CO 0.00 0.50 1.23 0.50 -1.57 0.00 0.00 175.55 176.21 1y0b s ARG 171 N -0.80 3.98 -0.21 -0.62 3.52 -1.26 -4.16 118.95 119.40 1y0b s ARG 171 Ca 0.31 1.22 -0.04 0.00 -0.13 0.00 0.00 55.73 57.08 1y0b s ARG 171 Cb -0.20 -3.83 -0.01 0.00 -1.56 0.00 0.00 34.95 29.35 1y0b s ARG 171 CO 0.20 -1.03 -0.03 0.08 -0.81 0.00 0.00 175.30 173.70 1y0b s VAL 172 N 4.10 3.53 -0.38 7.11 1.01 -1.26 -0.23 120.40 134.27 1y0b s VAL 172 Ca 0.53 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1y0b s VAL 172 Cb -0.16 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1y0b s VAL 172 CO 0.20 0.42 0.14 -1.61 0.00 0.00 0.00 175.10 174.26 1y0b s GLU 173 N 1.35 1.85 -0.22 2.72 0.41 0.64 -4.98 118.70 120.47 1y0b s GLU 173 Ca 0.04 -1.81 -0.07 0.00 -0.41 0.00 0.00 54.97 52.72 1y0b s GLU 173 Cb -0.14 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 1y0b s GLU 173 CO -0.01 -1.01 0.06 -1.12 -0.49 0.00 0.00 175.26 172.69 1y0b s SER 174 N 1.49 5.31 0.13 -0.19 0.01 -1.26 -0.98 113.70 118.21 1y0b s SER 174 Ca 0.08 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.31 1y0b s SER 174 Cb -0.21 -1.93 -0.14 0.00 0.21 0.00 0.00 66.02 63.95 1y0b s SER 174 CO -0.05 0.06 1.31 -0.07 0.41 0.00 0.00 173.24 174.90 1y0b h LEU 175 N 7.50 0.09 -7.82 2.44 3.38 -1.23 -3.42 115.31 116.26 1y0b h LEU 175 Ca -0.37 -0.09 -0.52 0.00 0.09 0.00 0.00 57.88 57.00 1y0b h LEU 175 Cb 1.18 -0.03 -0.35 0.00 0.09 0.00 0.00 40.66 41.54 1y0b h LEU 175 CO 0.63 1.01 -0.81 0.00 0.09 0.00 0.00 178.44 179.36 1y0b s ALA 176 N -2.85 1.28 -0.23 1.53 0.00 -0.60 -4.92 121.76 115.98 1y0b s ALA 176 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1y0b s ALA 176 Cb 0.10 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1y0b s ALA 176 CO 0.82 -0.19 -0.10 1.03 0.00 0.00 0.00 175.76 177.33 1y0b s ARG 177 N 1.26 2.94 -0.25 0.00 0.52 -1.26 -0.22 118.95 121.94 1y0b s ARG 177 Ca -0.03 -0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 54.18 1y0b s ARG 177 Cb -0.14 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 1y0b s ARG 177 CO -0.03 -0.32 0.16 0.42 0.02 0.00 0.00 175.30 175.55 1y0b s ILE 178 N 1.33 5.29 0.05 1.52 1.01 0.99 -1.21 121.20 130.18 1y0b s ILE 178 Ca 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 1y0b s ILE 178 Cb -0.15 -3.48 -0.27 0.00 0.01 0.00 0.00 42.46 38.56 1y0b s ILE 178 CO -0.06 0.32 1.03 -0.61 0.00 0.00 0.00 174.94 175.62 1y0b h GLN 179 N 7.79 0.23 -1.96 2.79 5.75 -0.53 0.78 115.11 129.95 1y0b h GLN 179 Ca -0.37 -0.39 -0.04 0.00 -0.15 0.00 0.00 58.65 57.70 1y0b h GLN 179 Cb 1.18 0.14 -0.20 0.00 1.07 0.00 0.00 27.48 29.67 1y0b h GLN 179 CO 0.62 1.13 0.19 0.45 -2.65 0.00 0.00 178.83 178.57 1y0b s SER 180 N -7.00 -0.68 -0.14 -0.69 0.15 -0.98 -4.38 113.70 99.99 1y0b s SER 180 Ca -0.05 1.03 0.16 0.00 0.70 0.00 0.00 55.95 57.78 1y0b s SER 180 Cb 0.07 0.94 0.40 0.00 -1.71 0.00 0.00 66.02 65.73 1y0b s SER 180 CO 0.86 -0.42 1.30 0.18 1.20 0.00 0.00 173.24 176.36 1y0b n LEU 181 N 1.72 3.20 -4.77 3.45 4.77 -1.26 -1.01 117.00 123.10 1y0b n LEU 181 Ca -0.16 -2.89 -0.33 0.00 -0.03 0.00 0.00 56.01 52.60 1y0b n LEU 181 Cb 0.56 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1y0b n LEU 181 CO 0.14 0.68 0.74 -1.61 -1.33 0.00 0.00 177.39 176.00 1y0b s GLU 182 N -2.57 2.76 -2.00 3.23 2.02 -1.25 -3.44 118.70 117.45 1y0b s GLU 182 Ca 0.35 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.69 1y0b s GLU 182 Cb 0.28 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1y0b s GLU 182 CO 0.07 -1.27 0.00 0.39 0.02 0.00 0.00 175.26 174.47 1y0b n GLU 183 N -2.53 -1.38 -2.28 1.61 1.02 -1.26 -2.66 120.64 113.14 1y0b n GLU 183 Ca 0.10 1.15 -0.16 0.00 -0.02 0.00 0.00 57.16 58.23 1y0b n GLU 183 Cb 0.52 -5.51 -0.01 0.00 -0.02 0.00 0.00 31.44 26.42 1y0b n GLU 183 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y0b n GLY 184 N -0.65 -0.25 3.02 0.62 0.00 -1.22 -5.01 105.19 101.70 1y0b n GLY 184 Ca -0.20 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1y0b n GLY 184 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y0b s LYS 185 N -4.77 0.47 -0.16 1.61 2.20 -1.09 -4.70 119.74 113.31 1y0b s LYS 185 Ca 0.00 -0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 54.79 1y0b s LYS 185 Cb 0.00 -0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.01 1y0b s LYS 185 CO 0.00 0.06 0.86 0.08 -0.36 0.00 0.00 175.35 175.99 1y0b s VAL 186 N -0.98 4.87 -0.18 4.02 1.01 -1.26 -3.86 120.40 124.01 1y0b s VAL 186 Ca -0.07 1.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 1y0b s VAL 186 Cb -0.07 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1y0b s VAL 186 CO 0.00 0.02 -0.11 -0.55 0.00 0.00 0.00 175.10 174.47 1y0b s SER 187 N 1.14 3.97 0.39 3.32 0.15 -0.18 -5.02 113.70 117.46 1y0b s SER 187 Ca 0.40 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.52 1y0b s SER 187 Cb -0.17 -1.64 -0.07 0.00 -1.71 0.00 0.00 66.02 62.44 1y0b s SER 187 CO 0.13 0.06 0.75 -0.36 1.20 0.00 0.00 173.24 175.01 1y0b s PHE 188 N 1.01 3.46 0.32 3.44 0.08 -1.26 0.14 117.98 125.17 1y0b s PHE 188 Ca -0.01 1.04 -0.29 0.00 0.12 0.00 0.00 56.93 57.78 1y0b s PHE 188 Cb -0.15 -2.43 -0.11 0.00 -0.57 0.00 0.00 43.02 39.76 1y0b s PHE 188 CO -0.02 -0.06 1.56 0.28 -0.10 0.00 0.00 175.22 176.88 1y0b n VAL 189 N -1.15 1.35 -1.81 -0.44 0.31 -0.35 -4.50 118.33 111.74 1y0b n VAL 189 Ca 0.02 -0.34 -0.40 0.00 -0.01 0.00 0.00 64.34 63.62 1y0b n VAL 189 Cb 0.54 -1.96 0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1y0b n VAL 189 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1y0b s GLN 190 N -1.04 3.64 -0.03 5.55 0.74 -1.26 -4.99 119.66 122.27 1y0b s GLN 190 Ca 0.60 2.38 0.06 0.00 0.05 0.00 0.00 55.36 58.46 1y0b s GLN 190 Cb -0.49 -2.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.99 1y0b s GLN 190 CO 0.54 -0.84 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.00 1y0b s GLU 191 N -2.49 2.03 0.00 1.67 2.02 -1.26 -5.21 118.70 115.46 1y0b s GLU 191 Ca 0.62 -0.82 0.32 0.00 0.02 0.00 0.00 54.97 55.11 1y0b s GLU 191 Cb -0.43 -1.86 1.86 0.00 0.10 0.00 0.00 34.13 33.79 1y0b s GLU 191 CO 0.55 0.44 2.20 1.55 0.02 0.00 0.00 175.26 180.01