#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 3.79 0.00 4.04 2.20 -1.26 -4.85 114.94 118.86 1y0b s ASN -1 Ca 0.00 0.66 0.00 0.00 -0.94 0.00 0.00 52.86 52.58 1y0b s ASN -1 Cb 0.00 -1.02 0.00 0.00 -2.00 0.00 0.00 41.25 38.23 1y0b s ASN -1 CO 0.00 -2.35 0.04 0.00 -2.94 0.00 0.00 177.10 171.85 1y0b n ALA 0 N -3.58 1.49 0.00 3.54 0.00 -1.26 -1.34 120.51 119.35 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 0.93 0.00 -0.17 0.00 1.02 -1.26 -0.14 120.64 121.01 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 0.02 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.45 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 0.64 0.13 0.62 0.00 -1.54 -1.47 119.26 117.64 1y0b h ALA 3 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1y0b h ALA 3 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1y0b h ALA 3 CO 0.00 0.14 -0.06 1.25 0.00 0.00 0.00 179.25 180.58 1y0b h LEU 4 N 0.66 -0.15 -0.60 0.00 5.85 -0.80 -1.50 115.31 118.76 1y0b h LEU 4 Ca 0.18 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1y0b h LEU 4 Cb 0.02 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1y0b h LEU 4 CO -0.03 0.05 0.33 0.11 -0.34 0.00 0.00 178.44 178.56 1y0b h LYS 5 N -0.35 0.60 -0.63 1.25 1.57 -1.78 -0.12 116.57 117.11 1y0b h LYS 5 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1y0b h LYS 5 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1y0b h LYS 5 CO 0.03 0.39 0.32 0.00 -0.57 0.00 0.00 179.45 179.63 1y0b h ARG 6 N 0.61 0.89 -0.95 3.15 -0.00 -1.24 -1.27 114.38 115.58 1y0b h ARG 6 Ca 0.27 -0.12 0.01 0.00 -0.50 0.00 0.00 59.98 59.63 1y0b h ARG 6 Cb 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 29.97 29.91 1y0b h ARG 6 CO -0.17 0.70 0.62 -0.22 0.00 0.00 0.00 179.97 180.90 1y0b h LYS 7 N 0.86 1.26 -0.23 0.04 1.63 -0.54 0.98 116.57 120.57 1y0b h LYS 7 Ca 0.22 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1y0b h LYS 7 Cb 0.08 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1y0b h LYS 7 CO -0.03 0.85 0.13 0.82 -3.45 0.00 0.00 179.45 177.76 1y0b h ILE 8 N 1.30 1.11 -0.17 2.00 2.04 -0.73 0.11 117.51 123.16 1y0b h ILE 8 Ca 0.35 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1y0b h ILE 8 Cb -0.13 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1y0b h ILE 8 CO -0.07 0.11 -0.33 -0.33 0.00 0.00 0.00 178.15 177.53 1y0b h GLU 9 N 0.26 0.34 0.06 2.37 5.08 -0.73 0.12 114.58 122.08 1y0b h GLU 9 Ca 0.08 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1y0b h GLU 9 Cb 0.07 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1y0b h GLU 9 CO -0.01 0.64 -0.54 0.93 -1.00 0.00 0.00 179.01 179.03 1y0b h GLU 10 N 0.30 0.26 0.00 2.33 5.08 -0.72 -3.42 114.58 118.41 1y0b h GLU 10 Ca 0.04 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1y0b h GLU 10 Cb 0.73 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1y0b h GLU 10 CO 0.06 1.11 -0.92 0.39 -1.00 0.00 0.00 179.01 178.65 1y0b n GLU 11 N -4.29 1.77 -2.44 2.33 1.02 0.35 -5.02 120.64 114.37 1y0b n GLU 11 Ca -0.12 -0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.61 1y0b n GLU 11 Cb 0.68 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.07 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 -2.23 2.84 -0.11 0.62 0.00 0.40 -4.85 107.32 104.00 1y0b s GLY 12 Ca -0.01 0.83 0.03 0.00 0.00 0.00 0.00 44.72 45.57 1y0b s GLY 12 CO 0.20 1.31 -0.21 0.14 0.00 0.00 0.00 173.10 174.55 1y0b s VAL 13 N -1.49 1.86 -0.26 1.40 1.01 -0.35 -4.87 120.40 117.70 1y0b s VAL 13 Ca 0.55 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1y0b s VAL 13 Cb -0.27 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1y0b s VAL 13 CO 0.34 0.51 0.74 -0.69 0.00 0.00 0.00 175.10 176.00 1y0b s VAL 14 N 0.60 4.89 -0.18 2.92 1.01 -1.26 -0.43 120.40 127.95 1y0b s VAL 14 Ca -0.14 1.31 -0.08 0.00 0.00 0.00 0.00 61.98 63.08 1y0b s VAL 14 Cb -0.17 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1y0b s VAL 14 CO 0.04 -0.07 0.08 -0.76 0.00 0.00 0.00 175.10 174.40 1y0b s LEU 15 N 2.72 3.96 -1.01 3.92 1.43 0.18 -4.55 118.68 125.33 1y0b s LEU 15 Ca 0.31 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1y0b s LEU 15 Cb -0.15 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1y0b s LEU 15 CO 0.09 0.21 0.29 -1.20 0.23 0.00 0.00 176.35 175.96 1y0b n SER 16 N 3.34 -2.91 -1.90 2.29 7.64 -1.26 -1.63 113.62 119.18 1y0b n SER 16 Ca -0.17 -0.17 -0.13 0.00 1.01 0.00 0.00 58.87 59.42 1y0b n SER 16 Cb 0.52 -2.48 -0.03 0.00 -1.01 0.00 0.00 64.21 61.22 1y0b n SER 16 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1y0b n ASP 17 N -2.03 -3.68 0.00 6.43 10.43 -1.26 -4.69 116.55 121.74 1y0b n ASP 17 Ca -0.02 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.59 1y0b n ASP 17 Cb 0.54 -3.28 0.00 0.00 1.84 0.00 0.00 41.12 40.21 1y0b n ASP 17 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1y0b n GLN 18 N -2.32 2.86 -4.90 -1.24 0.00 -0.64 -4.02 117.38 107.10 1y0b n GLN 18 Ca -0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.53 1y0b n GLN 18 Cb 0.52 -0.30 -0.15 0.00 0.00 0.00 0.00 30.24 30.31 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 -0.21 2.81 -0.32 1.69 1.01 -0.93 -5.01 120.40 119.44 1y0b s VAL 19 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1y0b s VAL 19 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1y0b s VAL 19 CO 0.00 0.54 0.31 -0.22 0.00 0.00 0.00 175.10 175.73 1y0b s LEU 20 N 0.17 4.31 -0.35 3.92 2.96 -1.26 -0.65 118.68 127.78 1y0b s LEU 20 Ca -0.09 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.48 1y0b s LEU 20 Cb -0.15 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1y0b s LEU 20 CO 0.05 -0.24 0.63 -0.75 -1.32 0.00 0.00 176.35 174.73 1y0b s LYS 21 N 1.92 3.69 -0.38 1.98 2.20 0.43 -4.92 119.74 124.66 1y0b s LYS 21 Ca 0.10 0.06 0.10 0.00 -0.36 0.00 0.00 55.97 55.87 1y0b s LYS 21 Cb -0.16 -3.80 0.44 0.00 -1.51 0.00 0.00 37.83 32.79 1y0b s LYS 21 CO 0.11 -0.72 1.08 1.33 -0.36 0.00 0.00 175.35 176.79 1y0b n VAL 22 N 5.56 1.93 0.35 4.02 0.24 -1.26 -1.21 118.33 127.96 1y0b n VAL 22 Ca -0.01 -4.19 0.14 0.00 -2.04 0.00 0.00 64.34 58.24 1y0b n VAL 22 Cb 0.49 -0.54 0.56 0.00 -1.47 0.00 0.00 33.84 32.87 1y0b n VAL 22 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1y0b h ASP 23 N 2.65 0.00 1.51 -1.34 5.19 -1.90 -1.41 116.42 121.12 1y0b h ASP 23 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1y0b h ASP 23 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1y0b h ASP 23 CO 0.70 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 177.59 1y0b h SER 24 N 0.00 0.00 0.00 6.45 4.64 -1.89 0.17 113.55 122.93 1y0b h SER 24 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y0b h SER 24 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1y0b h SER 24 CO 0.00 0.00 -0.01 2.22 -0.87 0.00 0.00 176.83 178.17 1y0b n PHE 25 N -2.80 0.00 0.00 4.77 1.16 -1.13 -4.47 117.46 114.99 1y0b n PHE 25 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 1y0b n PHE 25 Cb 0.42 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 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 -0.02 0.04 -0.76 5.98 7.94 -0.55 -2.04 117.00 127.59 1y0b n LEU 26 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1y0b n LEU 26 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 1y0b n LEU 26 CO 0.00 -0.07 0.57 0.59 -1.11 0.00 0.00 177.39 177.37 1y0b n ASN 27 N -2.91 2.72 0.16 1.96 3.02 -1.11 -4.75 115.26 114.35 1y0b n ASN 27 Ca 0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1y0b n ASN 27 Cb 0.42 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.94 -3.69 -3.05 3.10 -0.00 -1.23 -4.94 115.22 106.36 1y0b n HIS 28 Ca 0.12 1.02 -0.38 0.00 0.46 0.00 0.00 57.72 58.94 1y0b n HIS 28 Cb 0.44 2.59 -0.06 0.00 -0.12 0.00 0.00 29.99 32.84 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 -1.69 4.43 -0.09 1.57 0.74 0.60 -5.05 119.66 120.17 1y0b s GLN 29 Ca 0.00 1.02 0.03 0.00 0.05 0.00 0.00 55.36 56.47 1y0b s GLN 29 Cb 0.00 -3.13 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 1y0b s GLN 29 CO 0.00 0.52 -0.20 0.42 -0.55 0.00 0.00 175.29 175.47 1y0b s ILE 30 N -1.27 2.42 -0.56 -2.34 1.01 -1.26 -2.01 121.20 117.20 1y0b s ILE 30 Ca 0.37 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 1y0b s ILE 30 Cb -0.21 -1.94 0.07 0.00 0.01 0.00 0.00 42.46 40.39 1y0b s ILE 30 CO 0.24 0.56 0.72 -0.62 0.00 0.00 0.00 174.94 175.83 1y0b s ASP 31 N 0.11 6.21 0.31 3.58 -1.08 -0.87 -4.95 116.67 119.98 1y0b s ASP 31 Ca -0.10 -1.05 0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1y0b s ASP 31 Cb -0.16 -2.32 0.49 0.00 -1.46 0.00 0.00 42.92 39.48 1y0b s ASP 31 CO 0.06 -1.06 1.84 -0.65 0.52 0.00 0.00 175.17 175.88 1y0b h PRO 32 N 9.15 0.67 -0.31 4.34 0.11 -1.99 -2.80 132.00 141.18 1y0b h PRO 32 Ca -0.28 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1y0b h PRO 32 Cb 1.09 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1y0b h PRO 32 CO 1.05 0.66 0.15 1.25 -0.21 0.00 0.00 178.00 180.89 1y0b h LEU 33 N 0.64 0.41 -2.34 2.35 5.85 -2.00 -1.28 115.31 118.94 1y0b h LEU 33 Ca 0.14 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1y0b h LEU 33 Cb 0.33 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1y0b h LEU 33 CO 0.01 0.42 0.00 -0.11 -0.34 0.00 0.00 178.44 178.41 1y0b n LEU 34 N -4.77 0.43 0.00 2.25 7.94 -1.06 -1.76 117.00 120.03 1y0b n LEU 34 Ca -0.02 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1y0b n LEU 34 Cb 0.10 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1y0b n LEU 34 CO 0.36 0.07 0.00 1.67 -1.11 0.00 0.00 177.39 178.38 1y0b n GLN 36 N 1.12 0.00 -0.21 1.96 7.27 -0.48 -1.09 117.38 125.95 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 0.06 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.76 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 0.78 -0.11 3.69 2.47 -1.63 0.58 114.38 120.16 1y0b h ARG 37 Ca 0.00 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1y0b h ARG 37 Cb 0.00 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 1y0b h ARG 37 CO 0.00 0.51 0.06 0.82 0.56 0.00 0.00 179.97 181.92 1y0b h ILE 38 N 0.80 1.09 -0.91 2.04 2.04 -1.39 -1.25 117.51 119.94 1y0b h ILE 38 Ca 0.23 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1y0b h ILE 38 Cb -0.06 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1y0b h ILE 38 CO -0.06 0.08 0.57 1.23 0.00 0.00 0.00 178.15 179.97 1y0b h GLY 39 N 0.08 1.31 1.38 5.37 0.00 -1.73 -1.70 103.07 107.78 1y0b h GLY 39 Ca 0.04 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1y0b h GLY 39 CO -0.01 0.51 -0.17 -0.55 0.00 0.00 0.00 176.54 176.32 1y0b h ASP 40 N 1.25 0.73 -0.21 0.19 5.19 -0.71 -1.05 116.42 121.80 1y0b h ASP 40 Ca 0.33 -0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1y0b h ASP 40 Cb -0.08 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.22 1y0b h ASP 40 CO -0.06 0.90 -0.02 -0.08 -3.12 0.00 0.00 179.24 176.86 1y0b h GLU 41 N 0.65 0.38 -0.52 3.56 4.57 -0.73 -0.61 114.58 121.88 1y0b h GLU 41 Ca 0.10 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1y0b h GLU 41 Cb 0.65 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.17 1y0b h GLU 41 CO 0.05 0.59 0.26 0.74 -1.18 0.00 0.00 179.01 179.47 1y0b h PHE 42 N 0.13 0.47 -0.69 0.92 0.05 -1.28 -2.20 116.94 114.34 1y0b h PHE 42 Ca 0.06 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 1y0b h PHE 42 Cb 0.43 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.21 1y0b h PHE 42 CO 0.04 0.22 0.38 0.00 -0.18 0.00 0.00 178.31 178.77 1y0b h ALA 43 N 1.29 0.88 -0.48 2.45 0.00 -1.05 -2.20 119.26 120.15 1y0b h ALA 43 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1y0b h ALA 43 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y0b h ALA 43 CO -0.17 0.39 0.06 0.66 0.00 0.00 0.00 179.25 180.18 1y0b h SER 44 N 0.94 0.71 0.41 0.00 4.64 -0.87 0.26 113.55 119.64 1y0b h SER 44 Ca 0.24 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1y0b h SER 44 Cb 0.03 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1y0b h SER 44 CO -0.04 0.75 -0.29 0.03 -0.87 0.00 0.00 176.83 176.41 1y0b h ARG 45 N 0.72 0.00 -0.15 4.77 3.08 -1.07 -3.20 114.38 118.53 1y0b h ARG 45 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1y0b h ARG 45 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1y0b h ARG 45 CO 0.01 0.29 0.00 1.19 -1.07 0.00 0.00 179.97 180.39 1y0b n PHE 46 N -3.94 0.35 0.29 3.04 3.01 -0.86 -4.73 117.46 114.62 1y0b n PHE 46 Ca -0.02 -0.71 0.14 0.00 1.01 0.00 0.00 57.45 57.88 1y0b n PHE 46 Cb 0.36 -0.13 0.86 0.00 -0.01 0.00 0.00 39.48 40.56 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 0.97 1.45 -0.26 4.37 0.00 -0.50 -2.64 119.26 122.64 1y0b h ALA 47 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1y0b h ALA 47 Cb 0.91 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1y0b h ALA 47 CO 0.05 0.05 -0.10 1.63 0.00 0.00 0.00 179.25 180.89 1y0b n LYS 48 N -3.79 2.00 0.00 0.00 5.02 -1.26 -4.62 118.16 115.51 1y0b n LYS 48 Ca -0.03 -3.06 0.06 0.00 -2.02 0.00 0.00 58.31 53.26 1y0b n LYS 48 Cb 0.13 -1.77 0.04 0.00 -0.02 0.00 0.00 35.03 33.41 1y0b n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y0b n ASP 49 N -1.02 1.92 -2.06 4.39 8.00 -1.00 -5.00 116.55 121.79 1y0b n ASP 49 Ca 0.27 -1.46 -0.17 0.00 0.71 0.00 0.00 54.79 54.15 1y0b n ASP 49 Cb 0.93 0.08 0.01 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.75 -0.27 3.68 0.44 0.00 -1.26 -4.96 105.19 103.57 1y0b n GLY 50 Ca 0.07 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 1y0b n GLY 50 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y0b n ILE 51 N -4.11 0.54 0.01 -0.61 2.08 -1.26 -4.69 119.36 111.32 1y0b n ILE 51 Ca -0.15 -0.14 0.05 0.00 0.56 0.00 0.00 62.75 63.08 1y0b n ILE 51 Cb 0.62 -1.56 -0.08 0.00 -0.75 0.00 0.00 39.64 37.87 1y0b n ILE 51 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1y0b n THR 52 N 2.60 0.00 -3.56 1.39 -2.24 -0.49 -4.96 114.28 107.02 1y0b n THR 52 Ca 0.14 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1y0b n THR 52 Cb 0.31 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.69 0.89 -0.07 -0.78 2.20 -1.23 -4.32 119.74 113.73 1y0b s LYS 53 Ca -0.04 0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.97 1y0b s LYS 53 Cb 0.07 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1y0b s LYS 53 CO 0.42 -0.24 -0.01 0.42 -0.36 0.00 0.00 175.35 175.59 1y0b s ILE 54 N -0.76 4.22 -0.07 5.43 1.01 -0.64 -1.57 121.20 128.83 1y0b s ILE 54 Ca -0.06 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1y0b s ILE 54 Cb -0.01 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 1y0b s ILE 54 CO 0.05 0.58 -0.22 -0.69 0.00 0.00 0.00 174.94 174.67 1y0b s VAL 55 N -0.90 1.82 0.00 2.92 1.01 -0.64 -0.63 120.40 123.98 1y0b s VAL 55 Ca 0.14 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1y0b s VAL 55 Cb -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1y0b s VAL 55 CO 0.03 0.51 0.00 1.07 0.00 0.00 0.00 175.10 176.71 1y0b n THR 56 N 3.23 0.00 -4.02 3.92 5.66 -0.36 -1.25 114.28 121.47 1y0b n THR 56 Ca -0.19 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 69.16 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 -1.80 0.22 0.63 1.09 2.07 -1.26 -0.51 121.20 121.64 1y0b s ILE 57 Ca 0.00 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 58.89 1y0b s ILE 57 Cb 0.00 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1y0b s ILE 57 CO 0.00 0.03 1.13 -1.84 -1.91 0.00 0.00 174.94 172.35 1y0b n GLU 58 N 2.92 0.99 -0.06 3.50 0.28 -0.85 -3.31 120.64 124.10 1y0b n GLU 58 Ca -0.13 0.39 -0.08 0.00 -0.16 0.00 0.00 57.16 57.18 1y0b n GLU 58 Cb 0.59 -2.36 -0.08 0.00 1.43 0.00 0.00 31.44 31.02 1y0b n GLU 58 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1y0b n SER 59 N -1.41 2.57 0.23 -1.84 7.64 -1.26 -4.77 113.62 114.79 1y0b n SER 59 Ca 0.15 -0.04 0.09 0.00 1.01 0.00 0.00 58.87 60.08 1y0b n SER 59 Cb 0.48 0.24 0.57 0.00 -1.01 0.00 0.00 64.21 64.49 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 0.95 6.43 0.02 -1.90 -2.42 113.55 116.63 1y0b h SER 60 Ca -0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1y0b h SER 60 Cb 1.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 1y0b h SER 60 CO -0.02 0.21 -0.03 1.23 -1.14 0.00 0.00 176.83 177.08 1y0b h GLY 61 N 1.18 0.00 0.84 -3.77 0.00 -1.85 -3.37 103.07 96.10 1y0b h GLY 61 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1y0b h GLY 61 CO 0.03 0.00 -0.16 -2.22 0.00 0.00 0.00 176.54 174.19 1y0b h ILE 62 N 0.00 0.69 0.09 2.60 2.04 -1.60 -2.09 117.51 119.25 1y0b h ILE 62 Ca -0.00 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1y0b h ILE 62 Cb 0.51 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1y0b h ILE 62 CO 0.00 0.06 -0.34 0.00 0.00 0.00 0.00 178.15 177.88 1y0b h ALA 63 N 0.00 -0.57 -0.20 1.87 0.00 -1.77 0.12 119.26 118.71 1y0b h ALA 63 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1y0b h ALA 63 Cb 0.44 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1y0b h ALA 63 CO 0.07 -0.88 -0.05 -1.00 0.00 0.00 0.00 179.25 177.39 1y0b h PRO 64 N -0.55 0.29 -0.28 0.00 0.13 -1.78 -2.96 132.00 126.86 1y0b h PRO 64 Ca 0.04 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1y0b h PRO 64 Cb 0.59 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1y0b h PRO 64 CO -0.22 0.37 0.02 0.00 -0.23 0.00 0.00 178.00 177.94 1y0b h ALA 65 N 1.67 0.37 0.00 -0.56 0.00 -0.79 -2.01 119.26 117.93 1y0b h ALA 65 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y0b h ALA 65 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1y0b h ALA 65 CO 0.01 0.09 0.00 0.28 0.00 0.00 0.00 179.25 179.63 1y0b n VAL 66 N -4.62 0.19 0.00 0.00 0.31 0.35 -0.44 118.33 114.11 1y0b n VAL 66 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1y0b n VAL 66 Cb 0.23 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1y0b n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1y0b n THR 68 N 0.83 0.00 -0.28 2.52 -1.04 -0.76 -0.50 114.28 115.06 1y0b n THR 68 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1y0b n THR 68 Cb 0.10 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.81 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 1.21 0.97 3.41 0.00 -1.01 -1.18 103.07 106.47 1y0b h GLY 69 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1y0b h GLY 69 CO 0.00 0.42 0.14 -2.00 0.00 0.00 0.00 176.54 175.10 1y0b h LEU 70 N 1.14 0.28 -0.41 3.11 5.85 -1.01 0.12 115.31 124.39 1y0b h LEU 70 Ca 0.32 -0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 1y0b h LEU 70 Cb -0.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1y0b h LEU 70 CO -0.08 0.25 -0.41 0.50 -0.34 0.00 0.00 178.44 178.36 1y0b h LYS 71 N 0.29 0.89 0.00 1.25 1.63 -1.74 -3.08 116.57 115.80 1y0b h LYS 71 Ca 0.08 -0.48 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1y0b h LYS 71 Cb 0.02 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1y0b h LYS 71 CO -0.02 1.13 -0.02 -0.07 -3.45 0.00 0.00 179.45 177.02 1y0b h LEU 72 N 0.72 0.00 -0.78 5.20 3.38 -1.21 -3.48 115.31 119.14 1y0b h LEU 72 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1y0b h LEU 72 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1y0b h LEU 72 CO 0.10 0.02 -0.06 0.61 0.09 0.00 0.00 178.44 179.19 1y0b n GLY 73 N 0.98 0.73 3.25 0.83 0.00 0.29 -5.08 105.19 106.18 1y0b n GLY 73 Ca 0.04 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.88 1.44 0.83 1.61 -7.23 -0.40 -5.04 120.40 108.73 1y0b s VAL 74 Ca 0.05 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 1y0b s VAL 74 Cb -0.02 -1.45 0.09 0.00 0.56 0.00 0.00 36.38 35.56 1y0b s VAL 74 CO 0.06 -0.24 1.10 -2.16 -0.31 0.00 0.00 175.10 173.55 1y0b s PRO 75 N -2.20 1.77 -0.12 4.82 0.04 -1.26 -4.49 135.00 133.57 1y0b s PRO 75 Ca 0.06 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1y0b s PRO 75 Cb -0.08 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1y0b s PRO 75 CO 0.04 -2.00 -0.12 0.08 0.04 0.00 0.00 177.00 175.04 1y0b s VAL 76 N -2.84 1.34 -0.22 -0.36 1.01 -1.26 -1.62 120.40 116.45 1y0b s VAL 76 Ca 0.63 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1y0b s VAL 76 Cb -0.19 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1y0b s VAL 76 CO 0.57 0.42 0.02 -0.69 0.00 0.00 0.00 175.10 175.41 1y0b s VAL 77 N 1.31 3.99 -0.23 2.92 1.01 0.20 -4.99 120.40 124.61 1y0b s VAL 77 Ca -0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1y0b s VAL 77 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1y0b s VAL 77 CO -0.06 0.40 0.12 0.72 0.00 0.00 0.00 175.10 176.28 1y0b s PHE 78 N 1.28 3.26 0.56 5.22 -0.12 -1.26 -1.22 117.98 125.69 1y0b s PHE 78 Ca 0.04 0.08 -0.21 0.00 -0.05 0.00 0.00 56.93 56.79 1y0b s PHE 78 Cb -0.15 -2.22 -0.04 0.00 -0.63 0.00 0.00 43.02 39.98 1y0b s PHE 78 CO 0.01 0.01 1.28 0.00 -0.05 0.00 0.00 175.22 176.47 1y0b s ALA 79 N 1.01 2.71 -0.11 1.99 0.00 0.33 -4.79 121.76 122.91 1y0b s ALA 79 Ca 0.06 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 1y0b s ALA 79 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1y0b s ALA 79 CO 0.04 -1.22 0.09 1.03 0.00 0.00 0.00 175.76 175.69 1y0b s ARG 80 N -3.04 3.32 0.04 0.00 1.81 -0.31 -2.01 118.95 118.76 1y0b s ARG 80 Ca 0.73 -0.24 0.21 0.00 -1.72 0.00 0.00 55.73 54.71 1y0b s ARG 80 Cb -0.35 -3.05 -0.21 0.00 -0.45 0.00 0.00 34.95 30.88 1y0b s ARG 80 CO 0.40 0.71 0.66 1.63 -0.68 0.00 0.00 175.30 178.02 1y0b n LYS 81 N 2.16 0.64 -4.32 3.54 5.02 -1.26 -1.59 118.16 122.35 1y0b n LYS 81 Ca -0.19 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 55.88 1y0b n LYS 81 Cb 0.54 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 -3.35 1.56 0.43 2.13 3.76 -1.26 -4.72 115.29 113.84 1y0b s HIS 82 Ca -0.05 -0.73 -0.25 0.00 -0.15 0.00 0.00 55.06 53.88 1y0b s HIS 82 Cb 0.12 -0.81 -0.08 0.00 1.11 0.00 0.00 32.58 32.91 1y0b s HIS 82 CO 0.86 0.17 1.25 0.15 -0.85 0.00 0.00 174.74 176.31 1y0b s LYS 83 N -3.74 3.84 0.24 1.40 1.02 -1.26 -5.03 119.74 116.21 1y0b s LYS 83 Ca 0.23 2.00 0.01 0.00 0.02 0.00 0.00 55.97 58.23 1y0b s LYS 83 Cb 0.02 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1y0b s LYS 83 CO 0.06 -0.55 0.16 -1.54 -0.92 0.00 0.00 175.35 172.56 1y0b s SER 84 N -1.00 0.66 0.18 2.83 1.04 -1.26 -5.08 113.70 111.07 1y0b s SER 84 Ca 0.60 -1.48 -0.13 0.00 0.48 0.00 0.00 55.95 55.42 1y0b s SER 84 Cb -0.34 0.40 0.09 0.00 0.10 0.00 0.00 66.02 66.27 1y0b s SER 84 CO 0.43 -0.88 1.84 0.25 0.98 0.00 0.00 173.24 175.86 1y0b h LEU 85 N 2.47 0.71 -0.71 2.42 6.46 -2.06 -3.32 115.31 121.27 1y0b h LEU 85 Ca -0.34 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1y0b h LEU 85 Cb 1.25 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1y0b h LEU 85 CO 0.50 0.53 -0.14 0.35 -0.62 0.00 0.00 178.44 179.07 1y0b n THR 86 N -4.64 0.00 -3.10 1.05 -2.24 -1.26 -4.82 114.28 99.26 1y0b n THR 86 Ca 0.04 -0.43 -0.45 0.00 -2.27 0.00 0.00 64.05 60.94 1y0b n THR 86 Cb 0.03 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.36 5.68 0.00 3.22 0.20 -1.25 -4.76 118.68 120.41 1y0b s LEU 87 Ca 0.06 -2.09 0.00 0.00 0.69 0.00 0.00 54.13 52.79 1y0b s LEU 87 Cb 0.06 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.50 1y0b s LEU 87 CO 0.17 -0.92 0.00 0.35 -0.29 0.00 0.00 176.35 175.65 1y0b n THR 88 N 5.01 0.00 -4.53 3.68 -2.24 -1.26 -4.49 114.28 110.45 1y0b n THR 88 Ca 0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1y0b n THR 88 Cb 0.47 -0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 1y0b n THR 88 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1y0b s ASP 89 N -3.68 3.28 -1.20 3.42 1.11 -1.26 -4.75 116.67 113.59 1y0b s ASP 89 Ca 0.00 -1.32 -0.06 0.00 0.18 0.00 0.00 52.55 51.35 1y0b s ASP 89 Cb 0.00 -0.27 0.04 0.00 1.07 0.00 0.00 42.92 43.76 1y0b s ASP 89 CO 0.00 -0.44 0.34 0.59 1.18 0.00 0.00 175.17 176.83 1y0b n ASN 90 N -0.81 -3.90 -4.74 0.27 3.02 -1.26 -4.69 115.26 103.15 1y0b n ASN 90 Ca -0.04 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 53.92 1y0b n ASN 90 Cb 0.66 -3.25 -0.04 0.00 -0.61 0.00 0.00 39.78 36.54 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 4.49 -0.25 3.41 1.43 -1.26 0.06 118.68 120.37 1y0b s LEU 91 Ca 0.26 2.14 -0.09 0.00 -1.03 0.00 0.00 54.13 55.41 1y0b s LEU 91 Cb -0.13 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1y0b s LEU 91 CO 0.32 -0.24 0.13 -0.76 0.23 0.00 0.00 176.35 176.02 1y0b s LEU 92 N -0.48 3.82 0.19 1.79 1.43 0.15 -4.82 118.68 120.76 1y0b s LEU 92 Ca 0.49 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1y0b s LEU 92 Cb -0.30 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1y0b s LEU 92 CO 0.36 0.01 -0.20 0.42 0.23 0.00 0.00 176.35 177.16 1y0b s THR 93 N 1.38 2.10 0.02 5.49 -4.23 -1.26 -1.10 115.64 118.05 1y0b s THR 93 Ca 0.06 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1y0b s THR 93 Cb -0.15 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 1y0b s THR 93 CO 0.06 -0.27 0.11 0.00 -0.54 0.00 0.00 174.62 173.98 1y0b s ALA 94 N -2.03 -0.22 -0.16 3.99 0.00 -0.45 -4.79 121.76 118.11 1y0b s ALA 94 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 1y0b s ALA 94 Cb -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1y0b s ALA 94 CO 0.09 -0.24 0.12 0.45 0.00 0.00 0.00 175.76 176.18 1y0b s SER 95 N -1.63 6.19 -0.20 0.00 0.15 -1.26 -0.63 113.70 116.32 1y0b s SER 95 Ca -0.12 0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1y0b s SER 95 Cb -0.06 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1y0b s SER 95 CO -0.01 0.28 -0.16 -0.69 1.20 0.00 0.00 173.24 173.86 1y0b s VAL 96 N -0.23 1.96 -0.08 4.45 1.01 0.27 -4.83 120.40 122.95 1y0b s VAL 96 Ca 0.10 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1y0b s VAL 96 Cb -0.12 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1y0b s VAL 96 CO 0.01 0.34 0.51 -0.31 0.00 0.00 0.00 175.10 175.64 1y0b s TYR 97 N 1.29 3.57 -0.15 5.22 1.51 -1.26 -0.23 117.35 127.29 1y0b s TYR 97 Ca 0.01 0.98 -0.08 0.00 -1.01 0.00 0.00 57.07 56.97 1y0b s TYR 97 Cb -0.15 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 1y0b s TYR 97 CO -0.10 0.24 0.13 0.45 -1.11 0.00 0.00 175.55 175.16 1y0b s SER 98 N 0.34 6.31 -0.98 2.29 0.15 -1.26 -4.88 113.70 115.66 1y0b s SER 98 Ca 0.27 0.37 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 1y0b s SER 98 Cb -0.16 -2.07 0.30 0.00 -1.71 0.00 0.00 66.02 62.38 1y0b s SER 98 CO 0.12 0.32 1.37 0.33 1.20 0.00 0.00 173.24 176.59 1y0b n PHE 99 N 2.58 2.58 -0.41 3.44 -0.00 -1.26 -4.89 117.46 119.51 1y0b n PHE 99 Ca -0.18 -2.89 0.00 0.00 -0.00 0.00 0.00 57.45 54.37 1y0b n PHE 99 Cb 0.54 -1.10 0.00 0.00 -0.00 0.00 0.00 39.48 38.92 1y0b n PHE 99 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1y0b n THR 103 N 1.04 0.00 -3.41 -2.13 5.66 -1.26 -5.30 114.28 108.87 1y0b n THR 103 Ca 0.29 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.95 1y0b n THR 103 Cb 0.34 -1.48 -0.06 0.00 -1.55 0.00 0.00 70.33 67.59 1y0b n THR 103 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1y0b s GLU 104 N -1.65 3.90 0.17 1.09 -1.05 -1.26 -4.36 118.70 115.53 1y0b s GLU 104 Ca 0.00 0.38 0.03 0.00 -0.15 0.00 0.00 54.97 55.23 1y0b s GLU 104 Cb 0.00 -2.87 -0.05 0.00 -0.44 0.00 0.00 34.13 30.77 1y0b s GLU 104 CO 0.00 0.45 -0.05 0.45 0.95 0.00 0.00 175.26 177.06 1y0b s SER 105 N -1.89 1.65 -0.15 0.83 0.15 0.68 -4.88 113.70 110.09 1y0b s SER 105 Ca 0.39 -1.10 -0.06 0.00 0.70 0.00 0.00 55.95 55.88 1y0b s SER 105 Cb -0.14 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1y0b s SER 105 CO 0.19 -0.44 0.07 -1.58 1.20 0.00 0.00 173.24 172.69 1y0b s GLN 106 N -3.82 3.63 0.15 5.44 0.74 -1.26 0.97 119.66 125.51 1y0b s GLN 106 Ca 0.21 -0.30 0.10 0.00 0.05 0.00 0.00 55.36 55.43 1y0b s GLN 106 Cb 0.04 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 1y0b s GLN 106 CO 0.03 0.50 -0.22 0.96 -0.55 0.00 0.00 175.29 176.01 1y0b s ILE 107 N -0.27 2.53 -0.10 -2.34 -4.36 0.20 -4.57 121.20 112.30 1y0b s ILE 107 Ca 0.09 -1.76 -0.13 0.00 -0.26 0.00 0.00 60.65 58.58 1y0b s ILE 107 Cb -0.12 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1y0b s ILE 107 CO 0.01 0.01 0.33 0.00 0.24 0.00 0.00 174.94 175.54 1y0b s ALA 108 N -1.32 -0.83 -0.01 2.27 0.00 -0.62 -1.34 121.76 119.91 1y0b s ALA 108 Ca 0.18 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1y0b s ALA 108 Cb -0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1y0b s ALA 108 CO 0.09 -0.19 -0.06 0.08 0.00 0.00 0.00 175.76 175.68 1y0b s VAL 109 N -0.23 0.50 0.07 0.00 1.01 -0.26 -1.16 120.40 120.33 1y0b s VAL 109 Ca -0.04 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1y0b s VAL 109 Cb -0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1y0b s VAL 109 CO 0.02 0.14 1.43 -0.55 0.00 0.00 0.00 175.10 176.14 1y0b s SER 110 N -0.12 6.80 0.61 3.32 0.15 -1.26 0.31 113.70 123.51 1y0b s SER 110 Ca 0.02 2.28 0.38 0.00 0.70 0.00 0.00 55.95 59.32 1y0b s SER 110 Cb -0.03 -2.57 1.97 0.00 -1.71 0.00 0.00 66.02 63.67 1y0b s SER 110 CO -0.00 -0.71 2.22 1.23 1.20 0.00 0.00 173.24 177.19 1y0b h GLY 111 N 7.54 0.00 2.00 9.45 0.00 -0.65 -1.98 103.07 119.44 1y0b h GLY 111 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1y0b h GLY 111 CO 0.89 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 176.47 1y0b h THR 112 N 0.00 0.21 -0.02 4.70 1.35 -1.91 -2.95 112.91 114.29 1y0b h THR 112 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1y0b h THR 112 Cb 0.18 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1y0b h THR 112 CO 0.00 0.05 -0.04 1.41 -0.25 0.00 0.00 175.52 176.69 1y0b n HIS 113 N -3.28 0.00 -4.40 4.73 -0.00 -0.74 -4.84 115.22 106.68 1y0b n HIS 113 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 1y0b n HIS 113 Cb 0.23 -0.01 -0.16 0.00 -0.00 0.00 0.00 29.99 30.05 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 -2.05 1.57 0.36 2.41 1.43 -1.11 -5.04 118.68 116.24 1y0b s LEU 114 Ca 0.31 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1y0b s LEU 114 Cb 0.20 -0.63 -0.07 0.00 0.03 0.00 0.00 46.19 45.72 1y0b s LEU 114 CO 0.34 0.01 -0.06 -0.94 0.23 0.00 0.00 176.35 175.93 1y0b s SER 115 N 0.63 3.81 0.41 2.29 1.04 -1.26 -4.90 113.70 115.72 1y0b s SER 115 Ca -0.11 -1.21 0.29 0.00 0.48 0.00 0.00 55.95 55.39 1y0b s SER 115 Cb -0.14 -0.38 1.43 0.00 0.10 0.00 0.00 66.02 67.03 1y0b s SER 115 CO 0.02 -0.26 1.87 -2.24 0.98 0.00 0.00 173.24 173.61 1y0b h ASP 116 N 1.95 0.00 0.89 7.02 2.03 -1.72 -1.61 116.42 124.97 1y0b h ASP 116 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1y0b h ASP 116 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1y0b h ASP 116 CO 0.72 0.00 -0.26 0.00 -1.03 0.00 0.00 179.24 178.67 1y0b n GLN 117 N -2.54 0.08 -2.32 4.15 1.13 -1.26 -4.40 117.38 112.22 1y0b n GLN 117 Ca -0.01 0.04 -0.39 0.00 -1.94 0.00 0.00 57.00 54.70 1y0b n GLN 117 Cb 0.13 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 28.88 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 -3.41 6.85 -0.26 1.08 1.01 -0.60 -4.97 116.67 116.37 1y0b s ASP 118 Ca 0.11 2.40 0.02 0.00 0.71 0.00 0.00 52.55 55.79 1y0b s ASP 118 Cb 0.17 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.53 1y0b s ASP 118 CO 0.62 -0.45 -0.07 -2.28 0.21 0.00 0.00 175.17 173.21 1y0b s HIS 119 N -1.27 2.90 -0.13 4.23 5.65 -1.26 -2.15 115.29 123.26 1y0b s HIS 119 Ca 0.51 -2.13 -0.05 0.00 0.25 0.00 0.00 55.06 53.63 1y0b s HIS 119 Cb -0.33 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.17 1y0b s HIS 119 CO 0.43 -0.84 0.06 0.08 -0.65 0.00 0.00 174.74 173.82 1y0b s VAL 120 N 1.22 4.81 -0.31 0.89 1.01 0.51 -1.40 120.40 127.12 1y0b s VAL 120 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1y0b s VAL 120 Cb -0.19 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1y0b s VAL 120 CO -0.06 0.55 0.19 -0.22 0.00 0.00 0.00 175.10 175.56 1y0b s LEU 121 N -0.43 4.22 0.02 3.92 2.96 -0.61 -0.04 118.68 128.71 1y0b s LEU 121 Ca 0.10 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 1y0b s LEU 121 Cb -0.12 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1y0b s LEU 121 CO 0.02 -0.17 0.72 -0.63 -1.32 0.00 0.00 176.35 174.97 1y0b s ILE 122 N 1.69 4.80 -0.04 6.68 1.01 -0.64 -1.62 121.20 133.09 1y0b s ILE 122 Ca 0.06 1.52 0.05 0.00 0.00 0.00 0.00 60.65 62.27 1y0b s ILE 122 Cb -0.17 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 1y0b s ILE 122 CO 0.09 0.37 -0.18 -0.63 0.00 0.00 0.00 174.94 174.59 1y0b s ILE 123 N -0.01 1.47 0.10 2.92 -1.09 -0.38 0.40 121.20 124.63 1y0b s ILE 123 Ca 0.37 -0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 57.92 1y0b s ILE 123 Cb -0.20 -1.26 0.01 0.00 -1.58 0.00 0.00 42.46 39.44 1y0b s ILE 123 CO 0.21 0.42 0.28 -0.62 -1.23 0.00 0.00 174.94 174.01 1y0b s ASP 124 N -0.04 -0.04 -0.12 3.58 -1.08 -0.47 -4.27 116.67 114.23 1y0b s ASP 124 Ca -0.02 -0.50 -0.26 0.00 -0.52 0.00 0.00 52.55 51.24 1y0b s ASP 124 Cb -0.11 0.40 -0.23 0.00 -1.46 0.00 0.00 42.92 41.52 1y0b s ASP 124 CO 0.02 -0.78 0.79 -2.24 0.52 0.00 0.00 175.17 173.48 1y0b h ASP 125 N 2.58 -0.01 -4.27 -0.34 2.03 -1.87 -2.42 116.42 112.12 1y0b h ASP 125 Ca -0.34 -0.84 -0.69 0.00 -0.73 0.00 0.00 57.03 54.43 1y0b h ASP 125 Cb 1.22 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.47 1y0b h ASP 125 CO 0.52 0.87 -0.86 -0.36 -1.03 0.00 0.00 179.24 178.38 1y0b s PHE 126 N -2.51 2.38 -0.21 4.15 0.08 -1.26 -0.64 117.98 119.98 1y0b s PHE 126 Ca -0.17 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.52 1y0b s PHE 126 Cb -0.02 -1.43 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1y0b s PHE 126 CO 0.63 0.13 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.57 1y0b s LEU 127 N -1.17 2.59 0.00 -0.37 2.96 -0.20 -4.96 118.68 117.53 1y0b s LEU 127 Ca 0.12 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1y0b s LEU 127 Cb -0.10 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1y0b s LEU 127 CO 0.02 -0.10 0.00 0.00 -1.32 0.00 0.00 176.35 174.95 1y0b n ALA 128 N 4.58 0.89 0.64 5.97 0.00 -1.26 -0.74 120.51 130.59 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 0.47 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.23 1y0b n ALA 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y0b n ASN 129 N 0.00 0.71 -0.08 0.00 3.02 -1.26 -1.06 115.26 116.59 1y0b n ASN 129 Ca 0.00 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 54.89 1y0b n ASN 129 Cb 0.00 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1y0b n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y0b n GLY 130 N 1.34 0.49 0.25 7.41 0.00 -1.26 -3.97 105.19 109.45 1y0b n GLY 130 Ca 0.05 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 0.48 0.88 -0.61 1.61 1.08 -1.93 -1.75 115.11 114.87 1y0b h GLN 131 Ca -0.02 -0.50 -0.07 0.00 -1.45 0.00 0.00 58.65 56.61 1y0b h GLN 131 Cb 0.12 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1y0b h GLN 131 CO 0.03 1.14 0.09 0.00 -0.95 0.00 0.00 178.83 179.14 1y0b h ALA 132 N 0.73 0.99 -0.31 3.87 0.00 -1.93 -1.13 119.26 121.48 1y0b h ALA 132 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1y0b h ALA 132 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1y0b h ALA 132 CO 0.10 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.19 1y0b h ALA 133 N 1.14 0.40 -1.01 0.00 0.00 -1.93 -0.56 119.26 117.31 1y0b h ALA 133 Ca 0.19 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1y0b h ALA 133 Cb 0.43 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1y0b h ALA 133 CO 0.01 -0.13 0.65 0.45 0.00 0.00 0.00 179.25 180.23 1y0b h HIS 134 N 0.42 1.21 -0.63 0.00 -0.00 -1.12 -0.85 115.15 114.19 1y0b h HIS 134 Ca 0.11 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1y0b h HIS 134 Cb -0.05 -0.40 -0.03 0.00 -0.00 0.00 0.00 27.41 26.94 1y0b h HIS 134 CO -0.05 0.63 0.33 0.78 -0.00 0.00 0.00 177.93 179.62 1y0b h GLY 135 N 1.19 0.95 1.32 2.45 0.00 -0.47 -0.05 103.07 108.46 1y0b h GLY 135 Ca 0.43 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 1y0b h GLY 135 CO -0.17 0.43 -0.45 1.41 0.00 0.00 0.00 176.54 177.76 1y0b h LEU 136 N 0.86 0.79 -0.29 3.11 3.38 -0.78 -1.48 115.31 120.89 1y0b h LEU 136 Ca 0.22 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1y0b h LEU 136 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1y0b h LEU 136 CO -0.03 1.12 0.14 0.58 0.09 0.00 0.00 178.44 180.33 1y0b h VAL 137 N 0.59 0.97 -0.26 1.22 2.07 -0.89 -1.27 116.25 118.68 1y0b h VAL 137 Ca 0.04 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1y0b h VAL 137 Cb 1.00 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1y0b h VAL 137 CO 0.10 0.05 -0.02 -1.28 0.02 0.00 0.00 177.57 176.44 1y0b h SER 138 N 0.29 -0.14 -0.39 0.57 0.87 -0.79 -1.44 113.55 112.52 1y0b h SER 138 Ca 0.12 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1y0b h SER 138 Cb 0.05 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1y0b h SER 138 CO -0.10 -0.04 0.25 0.40 -0.53 0.00 0.00 176.83 176.82 1y0b h ILE 139 N 0.05 1.09 -0.26 2.23 2.04 -0.99 0.52 117.51 122.19 1y0b h ILE 139 Ca 0.12 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1y0b h ILE 139 Cb 0.17 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1y0b h ILE 139 CO -0.23 0.09 0.15 0.58 0.00 0.00 0.00 178.15 178.74 1y0b h VAL 140 N 0.52 1.02 -0.66 1.67 2.07 -1.09 -2.58 116.25 117.20 1y0b h VAL 140 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1y0b h VAL 140 Cb -0.05 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1y0b h VAL 140 CO -0.04 0.06 0.42 0.11 0.02 0.00 0.00 177.57 178.14 1y0b h LYS 141 N 0.30 0.88 0.00 1.57 1.57 -0.92 -2.00 116.57 117.97 1y0b h LYS 141 Ca 0.10 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1y0b h LYS 141 Cb 0.01 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1y0b h LYS 141 CO -0.06 0.59 -0.13 1.96 -0.57 0.00 0.00 179.45 181.25 1y0b h GLN 142 N 0.90 0.00 -0.00 3.15 4.20 -0.51 -0.81 115.11 122.04 1y0b h GLN 142 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1y0b h GLN 142 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1y0b h GLN 142 CO -0.05 0.13 -0.05 0.00 -0.67 0.00 0.00 178.83 178.19 1y0b n ALA 143 N -2.44 2.59 -1.03 3.87 0.00 -0.80 -4.90 120.51 117.81 1y0b n ALA 143 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1y0b n ALA 143 Cb 0.21 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.31 0.49 3.93 0.00 0.00 -0.31 -2.63 105.19 107.97 1y0b n GLY 144 Ca 0.13 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.98 3.55 0.15 4.61 0.00 -0.92 -4.45 121.76 122.71 1y0b s ALA 145 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1y0b s ALA 145 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1y0b s ALA 145 CO 0.00 -0.28 0.24 -1.54 0.00 0.00 0.00 175.76 174.18 1y0b s SER 146 N -4.12 6.12 -0.27 0.00 1.04 -0.92 -4.21 113.70 111.35 1y0b s SER 146 Ca 0.45 0.10 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 1y0b s SER 146 Cb -0.10 -1.79 -0.00 0.00 0.10 0.00 0.00 66.02 64.23 1y0b s SER 146 CO 0.41 0.07 0.06 -0.63 0.98 0.00 0.00 173.24 174.12 1y0b s ILE 147 N -1.72 3.92 0.24 -1.02 1.01 -1.26 -0.36 121.20 122.01 1y0b s ILE 147 Ca 0.34 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.54 1y0b s ILE 147 Cb -0.11 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 1y0b s ILE 147 CO 0.27 0.20 1.57 0.00 0.00 0.00 0.00 174.94 176.97 1y0b h ALA 148 N 8.21 0.89 0.00 9.38 0.00 -0.77 -3.47 119.26 133.50 1y0b h ALA 148 Ca -0.35 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1y0b h ALA 148 Cb 1.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1y0b h ALA 148 CO 0.60 0.83 0.00 0.41 0.00 0.00 0.00 179.25 181.09 1y0b n GLY 149 N 0.41 -2.48 2.87 0.00 0.00 -1.24 -4.59 105.19 100.17 1y0b n GLY 149 Ca -0.01 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.24 0.91 -0.21 -0.61 1.01 0.78 -1.62 121.20 119.22 1y0b s ILE 150 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1y0b s ILE 150 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1y0b s ILE 150 CO 0.00 0.28 0.17 -0.83 0.00 0.00 0.00 174.94 174.56 1y0b s GLY 151 N 1.75 2.04 -0.06 6.18 0.00 0.16 -0.58 107.32 116.81 1y0b s GLY 151 Ca 0.04 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1y0b s GLY 151 CO -0.08 0.27 -0.19 -0.42 0.00 0.00 0.00 173.10 172.68 1y0b s ILE 152 N 0.61 1.61 -0.05 0.90 -1.09 -0.33 -1.37 121.20 121.47 1y0b s ILE 152 Ca 0.09 -0.79 -0.21 0.00 -2.23 0.00 0.00 60.65 57.51 1y0b s ILE 152 Cb -0.12 -1.39 -0.16 0.00 -1.58 0.00 0.00 42.46 39.21 1y0b s ILE 152 CO 0.01 0.46 0.88 0.58 -1.23 0.00 0.00 174.94 175.63 1y0b h VAL 153 N 5.46 0.83 -3.14 2.92 2.07 -1.22 -1.19 116.25 121.98 1y0b h VAL 153 Ca -0.29 -1.11 -0.58 0.00 0.82 0.00 0.00 66.70 65.54 1y0b h VAL 153 Cb 1.19 1.39 -0.36 0.00 -1.52 0.00 0.00 31.29 31.99 1y0b h VAL 153 CO 0.47 0.21 -0.82 -0.63 0.02 0.00 0.00 177.57 176.83 1y0b s ILE 154 N -3.44 1.40 -0.17 4.57 1.01 0.19 -1.47 121.20 123.29 1y0b s ILE 154 Ca -0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1y0b s ILE 154 Cb 0.00 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1y0b s ILE 154 CO 0.47 0.43 -0.01 -0.70 0.00 0.00 0.00 174.94 175.13 1y0b s GLU 155 N 1.56 3.76 -0.79 2.79 2.12 0.30 -1.03 118.70 127.40 1y0b s GLU 155 Ca 0.05 -0.47 -0.19 0.00 0.36 0.00 0.00 54.97 54.72 1y0b s GLU 155 Cb -0.13 -3.01 0.12 0.00 0.26 0.00 0.00 34.13 31.38 1y0b s GLU 155 CO -0.10 0.24 0.96 0.15 -0.54 0.00 0.00 175.26 175.97 1y0b s LYS 156 N 0.40 3.38 0.45 4.30 1.02 0.08 0.20 119.74 129.57 1y0b s LYS 156 Ca -0.02 -1.58 0.30 0.00 0.02 0.00 0.00 55.97 54.70 1y0b s LYS 156 Cb -0.14 -4.58 1.33 0.00 -0.52 0.00 0.00 37.83 33.92 1y0b s LYS 156 CO 0.02 -1.67 1.91 0.77 -0.92 0.00 0.00 175.35 175.46 1y0b h SER 157 N 8.92 0.00 0.93 2.83 0.02 -1.02 -1.22 113.55 124.01 1y0b h SER 157 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1y0b h SER 157 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1y0b h SER 157 CO 1.08 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 178.99 1y0b n PHE 158 N -2.73 0.11 -3.96 3.45 1.16 -1.24 -4.82 117.46 109.43 1y0b n PHE 158 Ca 0.01 0.03 -0.27 0.00 -1.87 0.00 0.00 57.45 55.35 1y0b n PHE 158 Cb 0.24 -0.56 -0.04 0.00 -1.61 0.00 0.00 39.48 37.52 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 -3.02 3.36 0.00 3.97 -0.21 -0.46 -5.03 119.66 118.27 1y0b s GLN 159 Ca 0.12 -0.62 0.25 0.00 0.02 0.00 0.00 55.36 55.13 1y0b s GLN 159 Cb 0.16 -2.93 1.26 0.00 1.00 0.00 0.00 33.01 32.50 1y0b s GLN 159 CO 0.48 0.53 1.84 -0.35 -2.12 0.00 0.00 175.29 175.66 1y0b n PRO 160 N -0.40 0.35 -0.01 2.91 -0.04 -1.25 -4.23 135.00 132.33 1y0b n PRO 160 Ca -0.07 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1y0b n PRO 160 Cb 0.54 -1.50 -0.03 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 4.13 -0.07 0.85 0.55 0.00 -1.22 -1.69 103.07 105.62 1y0b h GLY 161 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1y0b h GLY 161 CO 0.00 -0.16 -0.04 -0.09 0.00 0.00 0.00 176.54 176.25 1y0b h ARG 162 N -0.19 -0.05 -0.88 4.80 2.43 -1.77 -2.45 114.38 116.27 1y0b h ARG 162 Ca 0.10 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1y0b h ARG 162 Cb 0.34 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1y0b h ARG 162 CO -0.27 -0.03 0.57 -0.44 -1.51 0.00 0.00 179.97 178.29 1y0b h ASP 163 N -0.05 0.87 -0.43 -3.80 3.32 -1.78 -0.41 116.42 114.14 1y0b h ASP 163 Ca 0.03 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1y0b h ASP 163 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1y0b h ASP 163 CO -0.07 0.55 0.21 -0.33 -1.72 0.00 0.00 179.24 177.88 1y0b h GLU 164 N 0.98 0.61 -0.22 3.56 5.08 -0.97 -0.80 114.58 122.81 1y0b h GLU 164 Ca 0.38 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 1y0b h GLU 164 Cb 0.23 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1y0b h GLU 164 CO -0.14 0.53 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.04 1y0b h LEU 165 N 0.55 0.64 -0.72 1.33 3.38 -0.95 -2.96 115.31 116.57 1y0b h LEU 165 Ca 0.15 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1y0b h LEU 165 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1y0b h LEU 165 CO -0.02 1.01 0.29 0.58 0.09 0.00 0.00 178.44 180.40 1y0b h VAL 166 N 0.28 1.25 -0.21 1.22 2.07 -1.06 -2.16 116.25 117.63 1y0b h VAL 166 Ca 0.03 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1y0b h VAL 166 Cb 0.86 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1y0b h VAL 166 CO 0.07 0.31 0.14 0.50 0.02 0.00 0.00 177.57 178.61 1y0b h LYS 167 N 1.03 0.27 0.00 1.57 3.64 -1.15 -0.42 116.57 121.50 1y0b h LYS 167 Ca 0.24 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1y0b h LYS 167 Cb 0.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1y0b h LYS 167 CO -0.02 0.18 0.00 1.28 -2.27 0.00 0.00 179.45 178.62 1y0b n LEU 168 N -4.51 0.00 0.00 5.20 4.77 -0.85 -4.89 117.00 116.72 1y0b n LEU 168 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1y0b n LEU 168 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1y0b n LEU 168 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1y0b n GLY 169 N 0.95 0.87 3.76 -0.72 0.00 -0.17 -5.07 105.19 104.80 1y0b n GLY 169 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 3.76 -0.24 1.61 2.02 -0.95 -5.01 117.35 116.51 1y0b s TYR 170 Ca 0.00 1.45 -0.29 0.00 -0.37 0.00 0.00 57.07 57.86 1y0b s TYR 170 Cb 0.00 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.78 1y0b s TYR 170 CO 0.00 0.34 1.46 0.50 -1.57 0.00 0.00 175.55 176.28 1y0b s ARG 171 N -0.31 3.91 -0.21 -0.62 3.52 -1.26 -4.22 118.95 119.75 1y0b s ARG 171 Ca 0.36 1.53 -0.04 0.00 -0.13 0.00 0.00 55.73 57.46 1y0b s ARG 171 Cb -0.21 -3.95 -0.01 0.00 -1.56 0.00 0.00 34.95 29.23 1y0b s ARG 171 CO 0.22 -1.15 -0.04 0.08 -0.81 0.00 0.00 175.30 173.60 1y0b s VAL 172 N 4.65 3.42 -0.43 7.11 1.01 -1.26 -0.16 120.40 134.75 1y0b s VAL 172 Ca 0.64 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1y0b s VAL 172 Cb -0.22 -2.55 0.12 0.00 0.00 0.00 0.00 36.38 33.73 1y0b s VAL 172 CO 0.25 0.43 0.19 -1.61 0.00 0.00 0.00 175.10 174.36 1y0b s GLU 173 N 1.31 1.88 -0.21 2.72 0.41 0.25 -4.98 118.70 120.09 1y0b s GLU 173 Ca 0.04 -2.05 -0.08 0.00 -0.41 0.00 0.00 54.97 52.47 1y0b s GLU 173 Cb -0.14 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1y0b s GLU 173 CO -0.02 -1.04 0.07 -1.12 -0.49 0.00 0.00 175.26 172.66 1y0b s SER 174 N 1.05 5.53 0.10 -0.19 0.01 -1.26 -1.19 113.70 117.74 1y0b s SER 174 Ca 0.12 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.39 1y0b s SER 174 Cb -0.22 -1.96 -0.24 0.00 0.21 0.00 0.00 66.02 63.81 1y0b s SER 174 CO -0.05 0.10 1.21 -0.07 0.41 0.00 0.00 173.24 174.85 1y0b h LEU 175 N 7.21 0.23 -7.89 2.44 3.38 -1.20 -3.42 115.31 116.05 1y0b h LEU 175 Ca -0.37 -0.24 -0.54 0.00 0.09 0.00 0.00 57.88 56.82 1y0b h LEU 175 Cb 1.17 -0.07 -0.35 0.00 0.09 0.00 0.00 40.66 41.50 1y0b h LEU 175 CO 0.66 1.18 -0.82 0.00 0.09 0.00 0.00 178.44 179.55 1y0b s ALA 176 N -2.70 1.40 -0.27 1.53 0.00 -0.54 -4.88 121.76 116.30 1y0b s ALA 176 Ca -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1y0b s ALA 176 Cb 0.08 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1y0b s ALA 176 CO 0.85 -0.13 -0.01 1.03 0.00 0.00 0.00 175.76 177.51 1y0b s ARG 177 N 1.12 2.89 -0.31 0.00 0.52 -1.26 -0.54 118.95 121.37 1y0b s ARG 177 Ca -0.05 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.04 1y0b s ARG 177 Cb -0.14 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 1y0b s ARG 177 CO -0.02 -0.43 0.38 0.42 0.02 0.00 0.00 175.30 175.67 1y0b s ILE 178 N 1.38 5.16 0.04 1.52 1.01 0.13 -1.08 121.20 129.36 1y0b s ILE 178 Ca 0.01 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 1y0b s ILE 178 Cb -0.17 -3.77 -0.26 0.00 0.01 0.00 0.00 42.46 38.26 1y0b s ILE 178 CO -0.02 0.02 1.11 -0.61 0.00 0.00 0.00 174.94 175.44 1y0b h GLN 179 N 8.33 0.58 -2.30 2.79 4.15 -0.70 0.13 115.11 128.08 1y0b h GLN 179 Ca -0.31 -0.70 -0.08 0.00 0.77 0.00 0.00 58.65 58.34 1y0b h GLN 179 Cb 1.15 0.22 -0.20 0.00 0.21 0.00 0.00 27.48 28.86 1y0b h GLN 179 CO 0.68 1.29 0.04 0.45 -1.93 0.00 0.00 178.83 179.36 1y0b s SER 180 N -7.19 -0.54 -0.00 -0.69 0.15 -0.99 -4.31 113.70 100.13 1y0b s SER 180 Ca -0.11 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1y0b s SER 180 Cb 0.05 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 65.04 1y0b s SER 180 CO 0.90 -0.50 1.05 0.18 1.20 0.00 0.00 173.24 176.07 1y0b n LEU 181 N 1.34 2.18 -4.75 3.45 4.77 -1.26 -1.04 117.00 121.69 1y0b n LEU 181 Ca -0.19 -2.02 -0.34 0.00 -0.03 0.00 0.00 56.01 53.44 1y0b n LEU 181 Cb 0.57 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1y0b n LEU 181 CO 0.20 0.55 0.76 -1.61 -1.33 0.00 0.00 177.39 175.96 1y0b s GLU 182 N -1.03 2.59 -1.40 3.23 2.02 -1.25 -3.22 118.70 119.64 1y0b s GLU 182 Ca 0.05 1.54 -0.02 0.00 0.02 0.00 0.00 54.97 56.56 1y0b s GLU 182 Cb 0.03 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.36 1y0b s GLU 182 CO 0.03 -1.44 0.16 0.39 0.02 0.00 0.00 175.26 174.42 1y0b n GLU 183 N -2.45 -2.65 -1.74 1.61 1.02 -1.26 -3.11 120.64 112.06 1y0b n GLU 183 Ca 0.12 0.77 -0.10 0.00 -0.02 0.00 0.00 57.16 57.92 1y0b n GLU 183 Cb 0.51 -5.44 -0.02 0.00 -0.02 0.00 0.00 31.44 26.46 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 -1.04 0.57 3.01 0.62 0.00 -1.20 -5.01 105.19 102.14 1y0b n GLY 184 Ca -0.16 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1y0b n GLY 184 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y0b s LYS 185 N -3.67 0.34 -0.20 1.61 -2.85 -1.18 -4.59 119.74 109.20 1y0b s LYS 185 Ca 0.00 -0.51 -0.21 0.00 -1.00 0.00 0.00 55.97 54.25 1y0b s LYS 185 Cb 0.00 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1y0b s LYS 185 CO 0.00 -0.07 0.64 0.08 0.10 0.00 0.00 175.35 176.10 1y0b s VAL 186 N -1.34 5.01 -0.17 1.79 1.01 -1.26 -3.90 120.40 121.53 1y0b s VAL 186 Ca -0.15 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 1y0b s VAL 186 Cb -0.09 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1y0b s VAL 186 CO -0.00 0.10 -0.08 -0.44 0.00 0.00 0.00 175.10 174.69 1y0b s SER 187 N 1.20 4.28 0.32 3.32 0.01 -0.21 -5.02 113.70 117.61 1y0b s SER 187 Ca 0.29 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 1y0b s SER 187 Cb -0.16 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.32 1y0b s SER 187 CO 0.10 0.09 0.63 -0.36 0.41 0.00 0.00 173.24 174.11 1y0b s PHE 188 N 0.83 3.47 -1.77 2.43 0.08 -1.26 -0.03 117.98 121.72 1y0b s PHE 188 Ca -0.02 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.84 1y0b s PHE 188 Cb -0.15 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1y0b s PHE 188 CO 0.01 0.09 0.44 0.28 -0.10 0.00 0.00 175.22 175.94