#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijr s PHE 7 N 0.00 0.00 0.01 3.10 -0.12 -1.26 -5.13 117.98 114.57 3ijr s PHE 7 Ca 0.00 -0.26 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 3ijr s PHE 7 Cb 0.00 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.36 3ijr s PHE 7 CO 0.00 -0.52 1.58 0.08 -0.05 0.00 0.00 175.22 176.32 3ijr s VAL 8 N -3.07 3.40 -0.60 -2.49 1.01 -1.26 -4.43 120.40 112.95 3ijr s VAL 8 Ca -0.01 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.75 3ijr s VAL 8 Cb 0.01 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 33.01 3ijr s VAL 8 CO -0.07 -0.02 0.84 0.35 0.00 0.00 0.00 175.10 176.20 3ijr n THR 9 N 4.96 0.36 -3.35 3.92 -2.24 0.14 -4.96 114.28 113.11 3ijr n THR 9 Ca 0.16 -0.68 -0.37 0.00 -2.27 0.00 0.00 64.05 60.88 3ijr n THR 9 Cb 0.42 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3ijr n THR 9 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3ijr s PRO 11 N -0.65 4.07 0.16 -0.78 0.02 -1.26 -5.02 135.00 131.53 3ijr s PRO 11 Ca 0.08 0.59 -0.31 0.00 0.02 0.00 0.00 61.00 61.37 3ijr s PRO 11 Cb 0.05 -3.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.32 3ijr s PRO 11 CO 0.07 0.61 1.61 0.00 -0.33 0.00 0.00 177.00 178.96 3ijr s ALA 12 N -1.21 3.79 -0.00 -1.55 0.00 -1.26 -4.43 121.76 117.09 3ijr s ALA 12 Ca 0.30 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.36 3ijr s ALA 12 Cb -0.18 -3.65 0.10 0.00 0.00 0.00 0.00 23.12 19.40 3ijr s ALA 12 CO 0.18 -0.86 0.85 1.14 0.00 0.00 0.00 175.76 177.07 3ijr s GLN 13 N 1.42 0.86 -0.20 0.00 -2.07 -1.26 -5.00 119.66 113.41 3ijr s GLN 13 Ca 0.72 -0.25 -0.23 0.00 -1.82 0.00 0.00 55.36 53.78 3ijr s GLN 13 Cb -0.44 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 31.94 3ijr s GLN 13 CO 0.32 -0.36 0.62 -1.58 -1.32 0.00 0.00 175.29 172.97 3ijr s HIS 14 N -2.90 -0.67 -0.24 9.60 2.46 -1.26 -4.05 115.29 118.24 3ijr s HIS 14 Ca 0.03 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.11 3ijr s HIS 14 Cb -0.01 0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.73 3ijr s HIS 14 CO -0.08 -0.38 -0.10 -0.65 -2.47 0.00 0.00 174.74 171.07 3ijr s GLN 15 N 0.03 2.71 -0.04 2.88 -0.21 0.02 -4.98 119.66 120.08 3ijr s GLN 15 Ca -0.02 -1.05 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 3ijr s GLN 15 Cb -0.04 -2.87 -0.14 0.00 1.00 0.00 0.00 33.01 30.96 3ijr s GLN 15 CO 0.02 -0.41 2.94 0.27 -2.12 0.00 0.00 175.29 176.00 3ijr n ASN 16 N 4.60 5.41 -3.65 5.90 0.23 -1.26 -4.27 115.26 122.21 3ijr n ASN 16 Ca -0.17 -2.53 -0.05 0.00 -0.53 0.00 0.00 54.58 51.31 3ijr n ASN 16 Cb 0.46 -1.29 -0.06 0.00 -2.08 0.00 0.00 39.78 36.81 3ijr n ASN 16 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 3ijr s LYS 17 N 0.37 0.62 -0.02 -3.83 2.20 -1.26 -5.17 119.74 112.65 3ijr s LYS 17 Ca 0.42 1.30 0.06 0.00 -0.36 0.00 0.00 55.97 57.39 3ijr s LYS 17 Cb 0.21 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.99 3ijr s LYS 17 CO -0.01 -0.18 -0.21 -1.14 -0.36 0.00 0.00 175.35 173.45 3ijr s GLN 18 N 2.24 1.70 0.40 4.03 0.74 -1.26 -3.82 119.66 123.69 3ijr s GLN 18 Ca -0.08 -0.74 -0.27 0.00 0.05 0.00 0.00 55.36 54.33 3ijr s GLN 18 Cb -0.09 -1.63 -0.10 0.00 1.10 0.00 0.00 33.01 32.30 3ijr s GLN 18 CO -0.19 0.44 1.42 -2.14 -0.55 0.00 0.00 175.29 174.27 3ijr s PRO 19 N -0.46 3.95 0.88 1.67 0.02 -1.26 -5.16 135.00 134.65 3ijr s PRO 19 Ca 0.07 2.42 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 3ijr s PRO 19 Cb -0.08 -2.83 0.12 0.00 0.02 0.00 0.00 34.50 31.73 3ijr s PRO 19 CO -0.01 -0.60 1.10 0.20 -0.33 0.00 0.00 177.00 177.36 3ijr s GLY 20 N -0.40 1.64 -0.26 0.52 0.00 -1.25 -5.02 107.32 102.55 3ijr s GLY 20 Ca 0.56 0.13 -0.03 0.00 0.00 0.00 0.00 44.72 45.38 3ijr s GLY 20 CO 0.57 0.58 -0.03 -0.42 0.00 0.00 0.00 173.10 173.81 3ijr s ILE 21 N -2.84 3.18 0.24 0.90 -1.09 -1.26 -4.89 121.20 115.44 3ijr s ILE 21 Ca 0.64 -0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 58.10 3ijr s ILE 21 Cb -0.19 -2.61 0.23 0.00 -1.58 0.00 0.00 42.46 38.31 3ijr s ILE 21 CO 0.57 0.19 1.89 -0.08 -1.23 0.00 0.00 174.94 176.28 3ijr h GLU 22 N 8.07 1.26 0.00 2.79 4.81 -1.96 -2.71 114.58 126.85 3ijr h GLU 22 Ca -0.33 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ijr h GLU 22 Cb 1.12 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3ijr h GLU 22 CO 0.58 0.89 0.04 0.66 -0.73 0.00 0.00 179.01 180.45 3ijr h SER 23 N 1.28 0.00 -0.83 1.04 4.64 -1.98 -3.45 113.55 114.24 3ijr h SER 23 Ca 0.33 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.22 3ijr h SER 23 Cb -0.04 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.90 3ijr h SER 23 CO -0.06 0.00 0.30 0.18 -0.87 0.00 0.00 176.83 176.38 3ijr n LEU 24 N -2.81 6.31 0.00 5.97 4.77 -1.02 -5.07 117.00 125.15 3ijr n LEU 24 Ca -0.02 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 3ijr n LEU 24 Cb 0.09 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 3ijr n LEU 24 CO 0.16 1.64 0.00 -3.20 -1.33 0.00 0.00 177.39 174.66 3ijr n ASN 26 N 0.98 0.00 -4.89 -1.43 5.15 -1.26 -5.07 115.26 108.74 3ijr n ASN 26 Ca 0.45 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.13 3ijr n ASN 26 Cb 0.60 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.90 3ijr n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ijr s PRO 27 N 0.00 2.70 0.27 1.20 0.04 -1.26 -4.40 135.00 133.55 3ijr s PRO 27 Ca 0.00 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3ijr s PRO 27 Cb 0.00 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3ijr s PRO 27 CO 0.00 -1.13 1.41 -0.51 0.04 0.00 0.00 177.00 176.81 3ijr s LEU 28 N -5.39 4.39 0.79 -3.56 1.43 -1.26 -4.95 118.68 110.13 3ijr s LEU 28 Ca 0.59 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 56.23 3ijr s LEU 28 Cb -0.11 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.55 3ijr s LEU 28 CO 0.51 -0.67 1.22 -2.84 0.23 0.00 0.00 176.35 174.80 3ijr s PRO 29 N -0.74 1.74 -0.35 1.29 0.02 -1.26 -4.95 135.00 130.75 3ijr s PRO 29 Ca 0.57 1.81 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 3ijr s PRO 29 Cb -0.41 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 3ijr s PRO 29 CO 0.46 -2.15 0.41 -0.65 -0.33 0.00 0.00 177.00 174.74 3ijr s GLN 30 N -4.03 3.55 0.00 5.54 -0.21 -1.26 -4.91 119.66 118.34 3ijr s GLN 30 Ca 0.75 -0.37 0.15 0.00 0.02 0.00 0.00 55.36 55.91 3ijr s GLN 30 Cb -0.30 -3.81 0.07 0.00 1.00 0.00 0.00 33.01 29.96 3ijr s GLN 30 CO 0.49 -0.58 0.91 1.97 -2.12 0.00 0.00 175.29 175.97 3ijr n PHE 31 N 5.50 0.00 -4.35 0.91 1.16 -1.26 -1.59 117.46 117.83 3ijr n PHE 31 Ca -0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.30 3ijr n PHE 31 Cb 0.49 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.21 3ijr n PHE 31 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3ijr s GLU 32 N -1.51 0.93 -0.33 3.97 2.12 -1.26 -4.27 118.70 118.35 3ijr s GLU 32 Ca 0.16 -0.27 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 3ijr s GLU 32 Cb 0.13 -0.87 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 3ijr s GLU 32 CO 0.27 0.08 0.51 0.34 -0.54 0.00 0.00 175.26 175.92 3ijr s ASP 33 N 0.31 6.34 0.50 -1.70 -1.08 -1.26 -4.92 116.67 114.85 3ijr s ASP 33 Ca -0.05 0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.27 3ijr s ASP 33 Cb -0.09 -2.27 1.27 0.00 -1.46 0.00 0.00 42.92 40.36 3ijr s ASP 33 CO 0.01 -0.43 2.03 -0.65 0.52 0.00 0.00 175.17 176.65 3ijr h PRO 34 N 8.36 0.11 -0.01 4.34 0.11 -2.02 -2.12 132.00 140.76 3ijr h PRO 34 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ijr h PRO 34 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ijr h PRO 34 CO 0.76 0.07 -0.13 0.09 -0.21 0.00 0.00 178.00 178.58 3ijr n ASN 35 N -4.44 1.02 -4.72 -2.05 3.02 -1.26 -4.92 115.26 101.90 3ijr n ASN 35 Ca 0.06 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.16 3ijr n ASN 35 Cb 0.41 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 3ijr n ASN 35 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ijr s TYR 36 N -2.30 3.29 -0.22 3.10 5.04 -0.80 -4.99 117.35 120.46 3ijr s TYR 36 Ca 0.31 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 3ijr s TYR 36 Cb 0.20 -3.60 0.02 0.00 0.35 0.00 0.00 41.96 38.92 3ijr s TYR 36 CO 0.44 -1.99 -0.09 0.15 -1.34 0.00 0.00 175.55 172.72 3ijr s LYS 37 N 0.65 3.00 0.72 4.97 1.02 -1.26 -5.03 119.74 123.81 3ijr s LYS 37 Ca 0.61 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 3ijr s LYS 37 Cb -0.35 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3ijr s LYS 37 CO 0.33 -0.30 1.08 0.20 -0.92 0.00 0.00 175.35 175.74 3ijr s GLY 38 N 1.35 1.79 -0.12 -3.33 0.00 -1.26 -4.98 107.32 100.76 3ijr s GLY 38 Ca 0.03 0.28 0.17 0.00 0.00 0.00 0.00 44.72 45.19 3ijr s GLY 38 CO -0.06 0.61 1.18 -1.14 0.00 0.00 0.00 173.10 173.69 3ijr n SER 39 N -3.12 0.28 -2.12 1.64 3.41 -1.26 -5.00 113.62 107.44 3ijr n SER 39 Ca 0.09 -2.04 -0.19 0.00 -0.26 0.00 0.00 58.87 56.46 3ijr n SER 39 Cb 0.53 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3ijr n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ijr n GLU 40 N -0.23 -1.53 0.29 4.33 1.02 -1.26 -4.88 120.64 118.38 3ijr n GLU 40 Ca -0.06 0.98 0.14 0.00 -0.02 0.00 0.00 57.16 58.20 3ijr n GLU 40 Cb 0.91 -5.52 0.87 0.00 -0.02 0.00 0.00 31.44 27.68 3ijr n GLU 40 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ijr h LYS 41 N 0.00 0.00 -0.16 3.49 1.57 -1.91 -2.87 116.57 116.69 3ijr h LYS 41 Ca -0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.17 3ijr h LYS 41 Cb 1.33 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.43 3ijr h LYS 41 CO 0.55 0.03 -0.76 1.28 -0.57 0.00 0.00 179.45 179.98 3ijr n LEU 42 N -3.80 2.51 -4.68 2.94 4.77 -0.13 -4.65 117.00 113.96 3ijr n LEU 42 Ca -0.03 -3.45 -0.45 0.00 -0.03 0.00 0.00 56.01 52.05 3ijr n LEU 42 Cb 0.12 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3ijr n LEU 42 CO 0.28 1.25 1.49 1.17 -1.33 0.00 0.00 177.39 180.24 3ijr n LYS 43 N -0.57 2.56 -0.96 3.23 4.81 -0.81 -1.30 118.16 125.12 3ijr n LYS 43 Ca 0.19 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.56 3ijr n LYS 43 Cb 0.87 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3ijr n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ijr n GLY 44 N 4.29 0.68 3.81 3.14 0.00 -0.52 -4.94 105.19 111.65 3ijr n GLY 44 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3ijr n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijr s LYS 45 N -0.21 4.10 -0.23 1.61 -0.14 -0.42 -4.86 119.74 119.59 3ijr s LYS 45 Ca 0.00 1.25 -0.05 0.00 -1.36 0.00 0.00 55.97 55.82 3ijr s LYS 45 Cb 0.00 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.91 3ijr s LYS 45 CO 0.00 -0.16 -0.02 -0.80 -0.76 0.00 0.00 175.35 173.61 3ijr s ASN 46 N -2.02 4.46 -0.01 2.83 0.01 -1.26 -1.00 114.94 117.95 3ijr s ASN 46 Ca 0.63 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.46 3ijr s ASN 46 Cb -0.13 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 3ijr s ASN 46 CO 0.17 -0.03 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.89 3ijr s VAL 47 N 1.50 2.99 -0.18 1.60 1.01 -0.41 -0.97 120.40 125.94 3ijr s VAL 47 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 3ijr s VAL 47 Cb -0.14 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3ijr s VAL 47 CO -0.02 0.49 -0.16 -0.22 0.00 0.00 0.00 175.10 175.18 3ijr s LEU 48 N -1.03 2.32 -0.16 3.92 2.96 -0.29 -0.43 118.68 125.97 3ijr s LEU 48 Ca 0.13 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3ijr s LEU 48 Cb -0.11 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.07 3ijr s LEU 48 CO 0.03 0.01 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.42 3ijr s ILE 49 N 1.27 1.54 -0.02 6.68 2.07 -0.44 -0.28 121.20 132.03 3ijr s ILE 49 Ca 0.04 -0.69 -0.22 0.00 -1.41 0.00 0.00 60.65 58.37 3ijr s ILE 49 Cb -0.14 -1.49 -0.05 0.00 0.13 0.00 0.00 42.46 40.91 3ijr s ILE 49 CO -0.09 0.39 0.64 0.42 -1.91 0.00 0.00 174.94 174.39 3ijr s THR 50 N 1.49 4.93 -0.38 4.00 -4.23 -0.53 -1.57 115.64 119.35 3ijr s THR 50 Ca 0.04 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 3ijr s THR 50 Cb -0.13 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.72 3ijr s THR 50 CO -0.10 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 3ijr n GLY 51 N 2.67 0.30 0.38 3.99 0.00 0.17 -2.53 105.19 110.17 3ijr n GLY 51 Ca -0.05 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.29 3ijr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijr n GLY 52 N -1.32 -0.06 0.06 -0.02 0.00 -1.18 -3.91 105.19 98.77 3ijr n GLY 52 Ca -0.05 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3ijr n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ijr n ASP 53 N 0.05 0.69 -3.81 1.61 5.75 -1.26 -3.15 116.55 116.42 3ijr n ASP 53 Ca 0.10 0.15 -0.07 0.00 -0.01 0.00 0.00 54.79 54.96 3ijr n ASP 53 Cb 0.20 0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 3ijr n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3ijr s SER 54 N -4.16 -0.22 0.39 -1.12 1.04 -1.26 -4.12 113.70 104.25 3ijr s SER 54 Ca 0.07 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3ijr s SER 54 Cb 0.14 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.98 3ijr s SER 54 CO 0.70 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3ijr n GLY 55 N -0.46 2.16 0.24 7.32 0.00 -1.26 -1.64 105.19 111.56 3ijr n GLY 55 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3ijr n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ijr h ILE 56 N 0.00 0.62 -1.00 -0.61 2.04 -1.90 -1.39 117.51 115.27 3ijr h ILE 56 Ca 0.00 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.84 3ijr h ILE 56 Cb 0.00 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 3ijr h ILE 56 CO 0.00 0.05 0.65 1.23 0.00 0.00 0.00 178.15 180.07 3ijr h GLY 57 N 0.26 1.52 0.93 5.37 0.00 -1.46 -0.22 103.07 109.47 3ijr h GLY 57 Ca 0.33 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3ijr h GLY 57 CO -0.42 0.33 0.07 -0.09 0.00 0.00 0.00 176.54 176.43 3ijr h ARG 58 N 1.16 0.63 -0.76 4.80 2.43 -0.31 -1.02 114.38 121.30 3ijr h ARG 58 Ca 0.43 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3ijr h ARG 58 Cb 0.19 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3ijr h ARG 58 CO -0.18 0.67 0.49 0.00 -1.51 0.00 0.00 179.97 179.45 3ijr h ALA 59 N 0.93 0.96 -0.33 2.80 0.00 -0.68 -1.50 119.26 121.44 3ijr h ALA 59 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ijr h ALA 59 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ijr h ALA 59 CO 0.00 0.39 0.04 0.28 0.00 0.00 0.00 179.25 179.96 3ijr h VAL 60 N 1.03 1.24 -0.43 0.00 2.07 -0.91 -1.78 116.25 117.47 3ijr h VAL 60 Ca 0.28 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3ijr h VAL 60 Cb -0.10 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3ijr h VAL 60 CO -0.06 0.28 0.13 0.28 0.02 0.00 0.00 177.57 178.22 3ijr h SER 61 N 0.38 0.09 -0.32 0.57 0.02 -0.88 0.15 113.55 113.56 3ijr h SER 61 Ca 0.10 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3ijr h SER 61 Cb 0.37 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3ijr h SER 61 CO 0.01 0.09 -0.10 0.40 -1.14 0.00 0.00 176.83 176.09 3ijr h ILE 62 N 0.28 1.28 -0.54 3.27 2.04 -1.22 -0.96 117.51 121.66 3ijr h ILE 62 Ca 0.21 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3ijr h ILE 62 Cb 0.23 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3ijr h ILE 62 CO -0.24 0.37 0.16 0.00 0.00 0.00 0.00 178.15 178.44 3ijr h ALA 63 N 0.79 0.71 -0.79 1.87 0.00 -1.05 -1.04 119.26 119.76 3ijr h ALA 63 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ijr h ALA 63 Cb 0.60 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3ijr h ALA 63 CO 0.04 0.39 0.40 0.74 0.00 0.00 0.00 179.25 180.81 3ijr h PHE 64 N 0.76 1.11 -0.69 0.00 -1.00 -0.62 -1.88 116.94 114.62 3ijr h PHE 64 Ca 0.17 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 3ijr h PHE 64 Cb 0.30 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 3ijr h PHE 64 CO 0.02 0.79 0.22 0.00 -1.61 0.00 0.00 178.31 177.73 3ijr h ALA 65 N 1.32 0.90 0.00 2.45 0.00 -0.86 -1.41 119.26 121.67 3ijr h ALA 65 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ijr h ALA 65 Cb 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ijr h ALA 65 CO -0.04 0.58 -0.01 0.87 0.00 0.00 0.00 179.25 180.65 3ijr h LYS 66 N 1.01 0.00 -0.38 0.00 1.57 -0.67 -1.62 116.57 116.48 3ijr h LYS 66 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ijr h LYS 66 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ijr h LYS 66 CO -0.01 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 3ijr n GLU 67 N -3.12 2.19 -0.20 3.15 -0.58 -0.65 -4.35 120.64 117.08 3ijr n GLU 67 Ca -0.01 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.91 3ijr n GLU 67 Cb 0.20 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3ijr n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ijr n GLY 68 N 1.34 0.80 3.82 0.62 0.00 -0.61 -0.95 105.19 110.21 3ijr n GLY 68 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3ijr n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijr s ALA 69 N -2.13 3.44 0.07 4.61 0.00 -0.62 -1.43 121.76 125.68 3ijr s ALA 69 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 3ijr s ALA 69 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 3ijr s ALA 69 CO 0.00 0.34 0.74 -0.80 0.00 0.00 0.00 175.76 176.04 3ijr s ASN 70 N -1.62 7.22 -0.13 0.00 0.01 -0.17 -4.14 114.94 116.11 3ijr s ASN 70 Ca 0.42 1.45 0.02 0.00 -0.71 0.00 0.00 52.86 54.04 3ijr s ASN 70 Cb -0.17 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3ijr s ASN 70 CO 0.21 0.09 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.05 3ijr s ILE 71 N -0.40 2.26 -0.23 0.60 -1.09 0.46 -1.28 121.20 121.51 3ijr s ILE 71 Ca 0.36 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.79 3ijr s ILE 71 Cb -0.21 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.73 3ijr s ILE 71 CO 0.23 0.54 0.07 0.00 -1.23 0.00 0.00 174.94 174.55 3ijr s ALA 72 N 0.67 3.21 -0.24 9.38 0.00 0.42 -0.77 121.76 134.44 3ijr s ALA 72 Ca -0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 3ijr s ALA 72 Cb -0.16 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.95 3ijr s ALA 72 CO 0.02 -0.31 -0.05 0.42 0.00 0.00 0.00 175.76 175.84 3ijr s ILE 73 N 1.28 3.08 -0.11 0.00 1.01 0.18 -1.33 121.20 125.32 3ijr s ILE 73 Ca 0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 3ijr s ILE 73 Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3ijr s ILE 73 CO 0.03 0.27 0.10 0.00 0.00 0.00 0.00 174.94 175.35 3ijr s ALA 74 N 1.39 3.71 0.31 9.38 0.00 -0.61 -0.55 121.76 135.38 3ijr s ALA 74 Ca 0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 3ijr s ALA 74 Cb -0.16 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.16 3ijr s ALA 74 CO -0.04 0.61 0.65 1.52 0.00 0.00 0.00 175.76 178.50 3ijr s TYR 75 N -0.99 0.20 0.00 0.00 -0.85 -0.97 0.46 117.35 115.20 3ijr s TYR 75 Ca 0.15 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3ijr s TYR 75 Cb -0.12 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.74 3ijr s TYR 75 CO 0.04 -1.26 0.00 -0.11 -1.52 0.00 0.00 175.55 172.69 3ijr n LEU 76 N -0.48 1.03 -0.05 -3.49 7.94 -1.25 -1.26 117.00 119.44 3ijr n LEU 76 Ca -0.04 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 3ijr n LEU 76 Cb 0.60 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3ijr n LEU 76 CO 0.22 -0.32 0.15 -0.90 -1.11 0.00 0.00 177.39 175.43 3ijr n ASP 77 N -1.49 0.00 -3.77 1.96 5.68 -1.26 -2.42 116.55 115.24 3ijr n ASP 77 Ca 0.00 -1.05 -0.42 0.00 -0.50 0.00 0.00 54.79 52.82 3ijr n ASP 77 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3ijr n ASP 77 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ijr n GLU 78 N 0.00 3.37 -0.28 0.11 4.71 -1.26 -4.75 120.64 122.54 3ijr n GLU 78 Ca 0.00 -3.12 0.09 0.00 -0.01 0.00 0.00 57.16 54.12 3ijr n GLU 78 Cb 0.51 -3.05 0.33 0.00 -1.01 0.00 0.00 31.44 28.22 3ijr n GLU 78 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3ijr h GLU 79 N 5.76 0.78 -0.36 3.49 4.39 -1.98 0.11 114.58 126.77 3ijr h GLU 79 Ca 0.49 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 3ijr h GLU 79 Cb 0.61 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3ijr h GLU 79 CO 1.73 0.52 0.21 0.78 -1.16 0.00 0.00 179.01 181.09 3ijr h GLY 80 N 0.81 0.54 1.01 -3.84 0.00 -2.00 -0.53 103.07 99.06 3ijr h GLY 80 Ca 0.43 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 3ijr h GLY 80 CO -0.19 0.23 -0.36 -0.55 0.00 0.00 0.00 176.54 175.66 3ijr h ASP 81 N 0.47 0.80 -0.69 0.19 3.32 -1.59 -2.27 116.42 116.65 3ijr h ASP 81 Ca 0.13 -0.50 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 3ijr h ASP 81 Cb 0.04 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3ijr h ASP 81 CO -0.02 1.14 0.25 0.00 -1.72 0.00 0.00 179.24 178.89 3ijr h ALA 82 N 0.68 0.90 -0.49 3.45 0.00 -0.69 -0.88 119.26 122.24 3ijr h ALA 82 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3ijr h ALA 82 Cb 0.95 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3ijr h ALA 82 CO 0.09 0.55 0.03 -0.91 0.00 0.00 0.00 179.25 179.01 3ijr h ASN 83 N 1.00 0.82 -0.59 0.00 2.35 -1.10 0.82 115.58 118.88 3ijr h ASN 83 Ca 0.23 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 3ijr h ASN 83 Cb 0.26 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3ijr h ASN 83 CO -0.01 0.91 0.09 -0.08 -1.65 0.00 0.00 177.43 176.69 3ijr h GLU 84 N 0.71 1.01 -0.64 0.81 4.81 -1.24 -1.03 114.58 119.00 3ijr h GLU 84 Ca 0.14 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3ijr h GLU 84 Cb 0.47 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3ijr h GLU 84 CO 0.02 0.93 0.22 1.15 -0.73 0.00 0.00 179.01 180.60 3ijr h THR 85 N 0.95 1.24 -0.81 0.32 2.02 -0.90 -2.50 112.91 113.23 3ijr h THR 85 Ca 0.19 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.58 3ijr h THR 85 Cb 0.42 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 3ijr h THR 85 CO 0.01 0.31 0.54 0.50 0.37 0.00 0.00 175.52 177.25 3ijr h LYS 86 N 0.91 1.01 -0.51 6.66 3.64 -0.27 -1.26 116.57 126.76 3ijr h LYS 86 Ca 0.21 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3ijr h LYS 86 Cb 0.26 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3ijr h LYS 86 CO -0.01 0.67 -0.15 -0.56 -2.27 0.00 0.00 179.45 177.13 3ijr h GLN 87 N 1.04 0.98 -0.63 1.90 3.07 -0.78 -0.91 115.11 119.77 3ijr h GLN 87 Ca 0.31 -0.38 -0.07 0.00 0.09 0.00 0.00 58.65 58.61 3ijr h GLN 87 Cb -0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 27.46 3ijr h GLN 87 CO -0.09 1.05 0.14 1.88 0.09 0.00 0.00 178.83 181.91 3ijr h TYR 88 N 0.86 1.07 0.26 0.06 0.05 -1.05 -1.64 116.97 116.59 3ijr h TYR 88 Ca 0.13 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3ijr h TYR 88 Cb 0.71 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3ijr h TYR 88 CO 0.05 0.90 -0.12 0.28 -1.05 0.00 0.00 178.16 178.22 3ijr h VAL 89 N 0.94 0.80 0.00 -2.88 2.07 -1.07 -2.95 116.25 113.16 3ijr h VAL 89 Ca 0.20 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3ijr h VAL 89 Cb 0.38 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3ijr h VAL 89 CO 0.01 0.08 -0.11 -0.33 0.02 0.00 0.00 177.57 177.24 3ijr h GLU 90 N -0.53 0.00 0.00 1.57 5.08 -1.15 -0.16 114.58 119.39 3ijr h GLU 90 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ijr h GLU 90 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3ijr h GLU 90 CO 0.06 0.11 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.91 3ijr h LYS 91 N 0.00 0.00 -0.07 2.33 3.64 -1.11 -0.47 116.57 120.89 3ijr h LYS 91 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ijr h LYS 91 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3ijr h LYS 91 CO 0.01 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.63 3ijr n GLU 92 N -3.41 1.35 -1.58 1.90 -0.58 -0.07 -4.90 120.64 113.35 3ijr n GLU 92 Ca -0.02 -0.53 -0.02 0.00 -0.42 0.00 0.00 57.16 56.17 3ijr n GLU 92 Cb 0.17 -1.36 -0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3ijr n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ijr n GLY 93 N 0.98 0.40 3.66 0.62 0.00 -0.19 -4.90 105.19 105.76 3ijr n GLY 93 Ca 0.16 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3ijr n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ijr s VAL 94 N -2.08 1.65 0.34 1.61 -7.23 -1.26 -5.08 120.40 108.36 3ijr s VAL 94 Ca 0.00 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 3ijr s VAL 94 Cb 0.00 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 3ijr s VAL 94 CO 0.00 0.00 0.76 -0.75 -0.31 0.00 0.00 175.10 174.80 3ijr s LYS 95 N -3.77 4.00 -0.07 4.82 2.47 -1.26 -4.28 119.74 121.64 3ijr s LYS 95 Ca 0.25 0.70 -0.04 0.00 -1.56 0.00 0.00 55.97 55.32 3ijr s LYS 95 Cb 0.07 -2.40 0.03 0.00 -1.46 0.00 0.00 37.83 34.07 3ijr s LYS 95 CO 0.13 0.12 0.17 0.00 0.16 0.00 0.00 175.35 175.92 3ijr s VAL 97 N 0.94 1.72 -0.17 0.00 1.01 0.05 -4.99 120.40 118.97 3ijr s VAL 97 Ca -0.07 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 3ijr s VAL 97 Cb -0.09 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3ijr s VAL 97 CO -0.05 0.49 0.13 -0.76 0.00 0.00 0.00 175.10 174.90 3ijr s LEU 98 N -0.09 4.24 -0.52 3.92 1.43 -1.26 -0.64 118.68 125.75 3ijr s LEU 98 Ca -0.03 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 3ijr s LEU 98 Cb -0.12 -2.07 0.17 0.00 0.03 0.00 0.00 46.19 44.19 3ijr s LEU 98 CO 0.03 0.25 0.39 -0.76 0.23 0.00 0.00 176.35 176.49 3ijr s LEU 99 N -0.09 2.68 0.66 1.79 1.43 0.29 -4.94 118.68 120.50 3ijr s LEU 99 Ca 0.10 -3.33 -0.12 0.00 -1.03 0.00 0.00 54.13 49.76 3ijr s LEU 99 Cb -0.11 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 3ijr s LEU 99 CO 0.00 -0.14 1.05 -2.16 0.23 0.00 0.00 176.35 175.33 3ijr s PRO 100 N -0.47 3.15 0.00 1.29 0.04 -1.26 -2.29 135.00 135.46 3ijr s PRO 100 Ca 0.29 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3ijr s PRO 100 Cb -0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ijr s PRO 100 CO -0.18 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.34 3ijr n GLY 101 N -1.98 3.32 3.53 0.56 0.00 -0.39 -4.87 105.19 105.36 3ijr n GLY 101 Ca 0.07 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3ijr n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ijr s ASP 102 N 0.00 6.36 0.00 1.61 -1.08 -1.26 -3.95 116.67 118.34 3ijr s ASP 102 Ca 0.00 -0.22 0.18 0.00 -0.52 0.00 0.00 52.55 51.99 3ijr s ASP 102 Cb 0.00 -2.33 1.04 0.00 -1.46 0.00 0.00 42.92 40.16 3ijr s ASP 102 CO 0.00 -0.78 1.67 0.18 0.52 0.00 0.00 175.17 176.76 3ijr n LEU 103 N 6.33 0.14 -0.12 -1.34 4.77 -1.26 -2.78 117.00 122.74 3ijr n LEU 103 Ca -0.01 -0.06 0.15 0.00 -0.03 0.00 0.00 56.01 56.06 3ijr n LEU 103 Cb 0.48 -0.01 0.73 0.00 -2.33 0.00 0.00 43.42 42.29 3ijr n LEU 103 CO 0.54 0.03 0.97 -1.54 -1.33 0.00 0.00 177.39 176.06 3ijr n SER 104 N -0.68 0.43 -4.52 -1.43 3.41 -1.26 -4.52 113.62 105.03 3ijr n SER 104 Ca 0.14 -0.83 -0.36 0.00 -0.26 0.00 0.00 58.87 57.56 3ijr n SER 104 Cb 0.08 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 3ijr n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ijr s ASP 105 N -2.24 5.35 0.14 4.04 2.15 -1.12 -4.89 116.67 120.10 3ijr s ASP 105 Ca 0.37 -0.09 -0.20 0.00 0.43 0.00 0.00 52.55 53.06 3ijr s ASP 105 Cb 0.21 -1.95 0.02 0.00 -0.30 0.00 0.00 42.92 40.90 3ijr s ASP 105 CO 0.41 0.04 1.68 -0.08 -0.17 0.00 0.00 175.17 177.05 3ijr h GLU 106 N 7.65 -0.07 -0.94 4.34 4.81 -1.88 -2.63 114.58 125.86 3ijr h GLU 106 Ca -0.37 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.90 3ijr h GLU 106 Cb 1.18 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 3ijr h GLU 106 CO 0.62 -0.04 0.62 0.37 -0.73 0.00 0.00 179.01 179.84 3ijr h GLN 107 N -0.07 1.17 -0.21 1.92 5.75 -1.95 -1.53 115.11 120.18 3ijr h GLN 107 Ca 0.13 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3ijr h GLN 107 Cb 0.27 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3ijr h GLN 107 CO -0.30 0.77 -0.03 1.25 -2.65 0.00 0.00 178.83 177.87 3ijr h HIS 108 N 1.20 0.32 -0.72 3.99 2.76 -1.78 0.17 115.15 121.09 3ijr h HIS 108 Ca 0.37 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.48 3ijr h HIS 108 Cb -0.02 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.81 3ijr h HIS 108 CO -0.01 0.36 0.30 0.00 -1.30 0.00 0.00 177.93 177.27 3ijr h LYS 110 N 1.02 0.14 -0.71 0.00 1.57 -0.71 -3.27 116.57 114.61 3ijr h LYS 110 Ca 0.24 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 3ijr h LYS 110 Cb 0.20 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3ijr h LYS 110 CO -0.02 0.40 0.38 -0.44 -0.57 0.00 0.00 179.45 179.20 3ijr h ASP 111 N -0.14 0.53 0.23 0.86 3.32 -0.41 -1.84 116.42 118.98 3ijr h ASP 111 Ca 0.02 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3ijr h ASP 111 Cb 0.34 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ijr h ASP 111 CO 0.00 0.32 -0.13 0.16 -1.72 0.00 0.00 179.24 177.88 3ijr h ILE 112 N 0.67 0.81 -0.05 0.35 3.07 -1.25 0.54 117.51 121.65 3ijr h ILE 112 Ca 0.33 -0.49 -0.05 0.00 1.55 0.00 0.00 64.86 66.21 3ijr h ILE 112 Cb 0.28 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 3ijr h ILE 112 CO -0.22 0.13 -0.16 0.58 -1.05 0.00 0.00 178.15 177.42 3ijr h VAL 113 N 0.00 1.45 -0.76 0.16 2.07 -1.41 -2.21 116.25 115.54 3ijr h VAL 113 Ca -0.00 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 65.97 3ijr h VAL 113 Cb 0.28 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 3ijr h VAL 113 CO 0.02 0.43 0.50 -0.61 0.02 0.00 0.00 177.57 177.93 3ijr h GLN 114 N -0.34 1.01 -0.44 1.57 4.15 -0.89 -1.92 115.11 118.25 3ijr h GLN 114 Ca -0.01 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3ijr h GLN 114 Cb 0.78 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3ijr h GLN 114 CO 0.03 0.67 0.13 1.49 -1.93 0.00 0.00 178.83 179.22 3ijr h GLU 115 N 1.04 0.69 0.23 1.69 4.57 -0.96 -1.14 114.58 120.69 3ijr h GLU 115 Ca 0.28 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3ijr h GLU 115 Cb -0.11 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3ijr h GLU 115 CO -0.06 0.67 -0.20 1.15 -1.18 0.00 0.00 179.01 179.39 3ijr h THR 116 N 0.57 0.57 -0.89 0.32 2.02 -1.05 -0.25 112.91 114.20 3ijr h THR 116 Ca 0.14 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 3ijr h THR 116 Cb 0.28 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 3ijr h THR 116 CO -0.00 0.00 0.54 0.58 0.37 0.00 0.00 175.52 177.01 3ijr h VAL 117 N -0.45 0.99 -0.05 3.16 2.07 -1.24 0.11 116.25 120.86 3ijr h VAL 117 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3ijr h VAL 117 Cb 0.41 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3ijr h VAL 117 CO -0.03 0.17 0.03 -0.09 0.02 0.00 0.00 177.57 177.67 3ijr h ARG 118 N 0.95 0.06 0.19 1.57 2.43 -0.59 0.78 114.38 119.78 3ijr h ARG 118 Ca 0.41 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.31 3ijr h ARG 118 Cb 0.27 -0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3ijr h ARG 118 CO -0.21 0.08 -1.14 1.96 -1.51 0.00 0.00 179.97 179.15 3ijr h GLN 119 N 0.03 0.44 0.00 0.20 1.08 -0.76 -3.35 115.11 112.74 3ijr h GLN 119 Ca 0.02 -0.73 -0.24 0.00 -1.45 0.00 0.00 58.65 56.25 3ijr h GLN 119 Cb 0.03 0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3ijr h GLN 119 CO -0.00 1.34 -1.41 -0.07 -0.95 0.00 0.00 178.83 177.74 3ijr h LEU 120 N -0.09 0.00 0.00 1.46 3.38 -0.87 -3.49 115.31 115.70 3ijr h LEU 120 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ijr h LEU 120 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3ijr h LEU 120 CO 0.22 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.27 3ijr n GLY 121 N 1.46 2.95 3.89 0.83 0.00 0.27 -5.01 105.19 109.58 3ijr n GLY 121 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 3ijr n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ijr s SER 122 N -1.38 -0.01 -0.03 1.61 1.04 -1.20 -4.88 113.70 108.84 3ijr s SER 122 Ca 0.00 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 3ijr s SER 122 Cb 0.00 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3ijr s SER 122 CO 0.00 -0.79 0.02 -0.22 0.98 0.00 0.00 173.24 173.23 3ijr s LEU 123 N -3.46 0.86 -0.08 2.42 2.96 -1.26 -4.47 118.68 115.65 3ijr s LEU 123 Ca 0.23 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3ijr s LEU 123 Cb -0.02 -0.20 -0.07 0.00 0.50 0.00 0.00 46.19 46.40 3ijr s LEU 123 CO 0.03 -0.15 -0.03 0.59 -1.32 0.00 0.00 176.35 175.47 3ijr n ASN 124 N 4.51 3.27 -3.96 3.68 4.13 -0.14 -4.51 115.26 122.24 3ijr n ASN 124 Ca -0.20 -0.03 -0.23 0.00 1.68 0.00 0.00 54.58 55.81 3ijr n ASN 124 Cb 0.50 0.26 -0.17 0.00 -1.54 0.00 0.00 39.78 38.83 3ijr n ASN 124 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ijr s ILE 125 N -2.18 0.89 -0.17 2.41 1.01 -0.93 -1.64 121.20 120.59 3ijr s ILE 125 Ca -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3ijr s ILE 125 Cb 0.03 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3ijr s ILE 125 CO 0.25 0.31 -0.14 -0.22 0.00 0.00 0.00 174.94 175.13 3ijr s LEU 126 N 0.83 2.47 -0.35 2.97 2.96 -0.24 -1.14 118.68 126.18 3ijr s LEU 126 Ca -0.12 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.25 3ijr s LEU 126 Cb -0.15 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.03 3ijr s LEU 126 CO 0.02 0.04 0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 3ijr s VAL 127 N 1.07 3.43 -0.39 1.68 1.01 0.61 -0.37 120.40 127.44 3ijr s VAL 127 Ca -0.00 -1.49 -0.26 0.00 0.00 0.00 0.00 61.98 60.23 3ijr s VAL 127 Cb -0.14 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3ijr s VAL 127 CO -0.04 -0.32 0.93 0.20 0.00 0.00 0.00 175.10 175.86 3ijr s ASN 128 N 1.54 6.64 0.00 3.32 0.01 -0.11 -1.45 114.94 124.89 3ijr s ASN 128 Ca 0.00 0.48 0.00 0.00 -0.71 0.00 0.00 52.86 52.63 3ijr s ASN 128 Cb -0.21 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3ijr s ASN 128 CO -0.00 -0.90 0.01 -3.20 -1.51 0.00 0.00 177.10 171.49 3ijr n ASN 129 N 6.87 0.01 -4.75 -1.22 2.85 -1.14 -0.86 115.26 117.02 3ijr n ASN 129 Ca 0.07 -0.33 -0.38 0.00 -0.11 0.00 0.00 54.58 53.84 3ijr n ASN 129 Cb 0.48 0.02 0.03 0.00 1.24 0.00 0.00 39.78 41.55 3ijr n ASN 129 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3ijr s VAL 130 N -0.02 2.41 -0.11 3.44 -7.23 -1.05 -4.76 120.40 113.07 3ijr s VAL 130 Ca 0.00 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 3ijr s VAL 130 Cb 0.00 -3.14 0.10 0.00 0.56 0.00 0.00 36.38 33.90 3ijr s VAL 130 CO 0.00 -0.01 0.87 0.00 -0.31 0.00 0.00 175.10 175.65 3ijr s ALA 131 N -1.41 -1.87 0.10 1.32 0.00 -1.26 -4.65 121.76 113.99 3ijr s ALA 131 Ca 0.71 1.46 0.08 0.00 0.00 0.00 0.00 51.96 54.21 3ijr s ALA 131 Cb -0.36 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3ijr s ALA 131 CO 0.42 -0.35 -0.20 -0.65 0.00 0.00 0.00 175.76 174.98 3ijr s GLN 132 N -1.24 1.09 -0.01 0.00 -0.21 -1.26 -5.01 119.66 113.01 3ijr s GLN 132 Ca -0.05 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.17 3ijr s GLN 132 Cb -0.00 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.71 3ijr s GLN 132 CO 0.04 0.30 0.02 1.14 -2.12 0.00 0.00 175.29 174.67 3ijr s GLN 133 N -1.95 0.03 -0.44 2.91 -2.07 -1.26 -4.92 119.66 111.96 3ijr s GLN 133 Ca 0.06 0.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.66 3ijr s GLN 133 Cb -0.10 0.01 0.15 0.00 -1.09 0.00 0.00 33.01 31.98 3ijr s GLN 133 CO 0.04 -0.01 0.27 0.71 -1.32 0.00 0.00 175.29 174.99 3ijr s TYR 134 N 0.03 1.65 0.44 9.60 2.02 -1.26 -4.79 117.35 125.04 3ijr s TYR 134 Ca -0.00 -2.29 -0.24 0.00 -0.37 0.00 0.00 57.07 54.16 3ijr s TYR 134 Cb -0.00 -1.54 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 3ijr s TYR 134 CO -0.00 -0.78 1.18 -2.30 -1.57 0.00 0.00 175.55 172.08 3ijr n PRO 135 N 3.39 1.66 -3.85 -1.71 -0.02 -1.26 -4.91 135.00 128.29 3ijr n PRO 135 Ca 0.14 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3ijr n PRO 135 Cb 0.38 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 3ijr n PRO 135 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ijr s GLN 136 N -2.25 0.48 0.00 -0.52 -1.52 -0.40 -5.03 119.66 110.43 3ijr s GLN 136 Ca 0.64 -0.31 0.19 0.00 -1.95 0.00 0.00 55.36 53.92 3ijr s GLN 136 Cb -0.51 0.20 0.87 0.00 -0.22 0.00 0.00 33.01 33.35 3ijr s GLN 136 CO 0.56 -0.11 1.59 0.00 -0.25 0.00 0.00 175.29 177.08 3ijr n GLN 137 N 1.57 0.12 -3.60 2.91 10.64 -1.26 -4.42 117.38 123.34 3ijr n GLN 137 Ca -0.22 0.15 0.01 0.00 -1.83 0.00 0.00 57.00 55.11 3ijr n GLN 137 Cb 0.56 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.43 3ijr n GLN 137 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3ijr s GLY 138 N -2.81 -0.42 0.40 2.61 0.00 -1.26 -4.92 107.32 100.93 3ijr s GLY 138 Ca 0.13 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.82 3ijr s GLY 138 CO 0.32 0.19 2.02 -2.00 0.00 0.00 0.00 173.10 173.63 3ijr h LEU 139 N 2.00 0.50 -1.31 0.66 5.85 -1.89 -1.41 115.31 119.70 3ijr h LEU 139 Ca -0.28 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3ijr h LEU 139 Cb 1.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ijr h LEU 139 CO 0.28 0.34 0.00 1.05 -0.34 0.00 0.00 178.44 179.77 3ijr h GLU 140 N 0.57 0.00 -0.61 1.25 9.09 -2.00 -1.27 114.58 121.61 3ijr h GLU 140 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 3ijr h GLU 140 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3ijr h GLU 140 CO -0.06 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.66 3ijr n TYR 141 N -2.36 0.81 -3.40 2.06 4.02 -0.53 -4.83 117.16 112.93 3ijr n TYR 141 Ca -0.00 -0.44 -0.42 0.00 -0.01 0.00 0.00 57.90 57.03 3ijr n TYR 141 Cb 0.12 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 3ijr n TYR 141 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3ijr s ILE 142 N -1.11 5.18 0.69 -0.72 1.01 -0.48 -4.97 121.20 120.80 3ijr s ILE 142 Ca 0.44 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 3ijr s ILE 142 Cb 0.23 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3ijr s ILE 142 CO 0.31 -0.27 1.07 0.42 0.00 0.00 0.00 174.94 176.47 3ijr s THR 143 N 1.94 3.91 0.32 2.92 -4.23 -1.26 -4.91 115.64 114.32 3ijr s THR 143 Ca 0.09 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 3ijr s THR 143 Cb -0.17 -3.55 0.22 0.00 1.34 0.00 0.00 72.50 70.34 3ijr s THR 143 CO 0.12 -0.81 1.93 0.00 -0.54 0.00 0.00 174.62 175.32 3ijr h ALA 144 N -0.61 1.40 0.04 3.99 0.00 -1.99 -0.90 119.26 121.20 3ijr h ALA 144 Ca -0.45 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.37 3ijr h ALA 144 Cb 1.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ijr h ALA 144 CO 0.62 0.49 -0.10 0.93 0.00 0.00 0.00 179.25 181.19 3ijr h GLU 145 N 0.88 -0.18 -0.63 0.00 3.07 -2.00 -1.27 114.58 114.45 3ijr h GLU 145 Ca 0.22 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 3ijr h GLU 145 Cb 0.04 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 3ijr h GLU 145 CO -0.03 -0.12 0.16 0.37 -1.40 0.00 0.00 179.01 177.99 3ijr h GLN 146 N -0.19 1.00 0.26 2.33 4.15 -1.86 -1.71 115.11 119.09 3ijr h GLN 146 Ca 0.02 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.21 3ijr h GLN 146 Cb 0.21 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3ijr h GLN 146 CO -0.07 0.90 -0.37 1.25 -1.93 0.00 0.00 178.83 178.61 3ijr h LEU 147 N 0.92 -1.03 -0.64 -2.39 5.85 -0.96 -0.21 115.31 116.84 3ijr h LEU 147 Ca 0.20 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3ijr h LEU 147 Cb 0.35 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3ijr h LEU 147 CO 0.00 -0.48 0.20 -0.33 -0.34 0.00 0.00 178.44 177.49 3ijr h GLU 148 N -0.69 0.99 -0.37 1.25 5.08 -1.20 -1.77 114.58 117.87 3ijr h GLU 148 Ca -0.00 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3ijr h GLU 148 Cb 0.66 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3ijr h GLU 148 CO -0.13 0.87 0.20 -0.22 -1.00 0.00 0.00 179.01 178.73 3ijr h LYS 149 N 0.91 0.40 -0.31 2.33 3.64 -1.22 0.25 116.57 122.57 3ijr h LYS 149 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3ijr h LYS 149 Cb 0.29 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3ijr h LYS 149 CO -0.01 0.26 0.17 1.15 -2.27 0.00 0.00 179.45 178.76 3ijr h THR 150 N 0.41 1.14 -0.63 1.00 2.02 -0.84 -2.57 112.91 113.44 3ijr h THR 150 Ca 0.15 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 3ijr h THR 150 Cb 0.03 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3ijr h THR 150 CO -0.09 0.14 0.10 -0.26 0.37 0.00 0.00 175.52 175.78 3ijr h PHE 151 N 0.38 1.10 -0.83 3.16 -1.00 -1.13 -0.58 116.94 118.05 3ijr h PHE 151 Ca 0.11 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 3ijr h PHE 151 Cb 0.07 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.29 3ijr h PHE 151 CO -0.03 0.94 0.52 -0.09 -1.61 0.00 0.00 178.31 178.04 3ijr h ARG 152 N 0.95 1.11 0.18 1.51 2.43 -0.29 -0.82 114.38 119.45 3ijr h ARG 152 Ca 0.19 -0.09 -0.34 0.00 -0.81 0.00 0.00 59.98 58.93 3ijr h ARG 152 Cb 0.43 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3ijr h ARG 152 CO 0.01 0.77 -1.67 0.97 -1.51 0.00 0.00 179.97 178.54 3ijr h ILE 153 N 1.13 0.97 -0.02 1.20 6.09 -1.48 -2.47 117.51 122.94 3ijr h ILE 153 Ca 0.30 -2.49 -0.16 0.00 -1.37 0.00 0.00 64.86 61.14 3ijr h ILE 153 Cb -0.07 2.77 -0.02 0.00 0.47 0.00 0.00 36.82 39.97 3ijr h ILE 153 CO -0.06 0.83 -0.72 0.78 -3.07 0.00 0.00 178.15 175.91 3ijr h ASN 154 N 0.02 0.13 0.00 2.19 4.21 -1.05 -3.37 115.58 117.72 3ijr h ASN 154 Ca -0.33 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.09 3ijr h ASN 154 Cb 2.03 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 39.19 3ijr h ASN 154 CO 0.16 0.81 -0.43 0.00 -1.29 0.00 0.00 177.43 176.67 3ijr n ILE 155 N -3.73 0.00 -0.13 2.81 0.13 -0.53 -4.64 119.36 113.27 3ijr n ILE 155 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 62.75 61.63 3ijr n ILE 155 Cb 0.70 -0.24 0.25 0.00 -0.84 0.00 0.00 39.64 39.52 3ijr n ILE 155 CO 0.00 0.00 0.00 -0.26 2.80 0.00 0.00 176.55 179.09 3ijr h PHE 156 N 0.00 0.81 -0.13 9.51 0.04 -1.20 -2.00 116.94 123.97 3ijr h PHE 156 Ca 0.00 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 3ijr h PHE 156 Cb 0.43 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3ijr h PHE 156 CO 0.00 0.60 -0.28 0.66 -0.60 0.00 0.00 178.31 178.69 3ijr h SER 157 N 0.82 0.25 -0.63 2.17 4.64 -1.60 -1.02 113.55 118.18 3ijr h SER 157 Ca 0.20 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3ijr h SER 157 Cb 0.09 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3ijr h SER 157 CO -0.03 0.53 0.09 1.88 -0.87 0.00 0.00 176.83 178.43 3ijr h TYR 158 N 0.22 1.14 0.04 4.77 -1.99 -1.63 -0.15 116.97 119.37 3ijr h TYR 158 Ca 0.03 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 3ijr h TYR 158 Cb 0.62 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 39.04 3ijr h TYR 158 CO 0.01 0.96 -0.02 0.74 -0.00 0.00 0.00 178.16 179.86 3ijr h PHE 159 N 1.00 -0.05 -0.24 4.88 0.04 -0.88 -2.28 116.94 119.40 3ijr h PHE 159 Ca 0.20 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 3ijr h PHE 159 Cb 0.45 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3ijr h PHE 159 CO 0.03 0.22 -0.17 0.45 -0.60 0.00 0.00 178.31 178.24 3ijr h HIS 160 N -0.32 0.64 -0.34 -0.55 3.86 -1.10 0.71 115.15 118.05 3ijr h HIS 160 Ca -0.01 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 58.99 3ijr h HIS 160 Cb 0.30 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3ijr h HIS 160 CO 0.02 0.84 0.07 0.28 0.86 0.00 0.00 177.93 180.00 3ijr h VAL 161 N 0.26 1.23 -0.44 2.45 2.07 -1.13 -2.11 116.25 118.57 3ijr h VAL 161 Ca 0.05 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3ijr h VAL 161 Cb 0.71 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3ijr h VAL 161 CO 0.05 0.26 0.10 0.74 0.02 0.00 0.00 177.57 178.73 3ijr h THR 162 N 0.39 1.24 -0.59 2.57 2.02 -1.37 -1.26 112.91 115.90 3ijr h THR 162 Ca 0.11 -0.83 0.09 0.00 0.77 0.00 0.00 66.41 66.55 3ijr h THR 162 Cb 0.32 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 3ijr h THR 162 CO 0.00 0.29 0.21 0.50 0.37 0.00 0.00 175.52 176.89 3ijr h LYS 163 N 0.57 0.37 -0.24 6.66 3.64 -0.80 -1.81 116.57 124.96 3ijr h LYS 163 Ca 0.14 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3ijr h LYS 163 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3ijr h LYS 163 CO 0.00 0.24 -0.37 0.00 -2.27 0.00 0.00 179.45 177.06 3ijr h ALA 164 N 1.42 0.90 0.00 5.00 0.00 -1.16 -2.94 119.26 122.48 3ijr h ALA 164 Ca 0.30 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3ijr h ALA 164 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ijr h ALA 164 CO -0.31 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.37 3ijr h ALA 165 N 1.14 1.57 -0.75 0.00 0.00 -0.57 -3.28 119.26 117.37 3ijr h ALA 165 Ca 0.05 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ijr h ALA 165 Cb 0.86 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3ijr h ALA 165 CO 0.07 0.25 0.49 -0.07 0.00 0.00 0.00 179.25 180.00 3ijr h LEU 166 N 0.00 0.50 0.00 0.00 3.38 -1.16 0.07 115.31 118.10 3ijr h LEU 166 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ijr h LEU 166 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ijr h LEU 166 CO 0.03 0.28 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 3ijr n SER 167 N -4.49 0.00 -0.00 -0.43 3.41 -1.24 -2.88 113.62 107.99 3ijr n SER 167 Ca 0.13 -0.68 0.03 0.00 -0.26 0.00 0.00 58.87 58.09 3ijr n SER 167 Cb 0.42 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 3ijr n SER 167 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ijr n HIS 168 N -1.03 0.00 -3.43 7.33 8.25 -0.02 -5.03 115.22 121.30 3ijr n HIS 168 Ca 0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.29 3ijr n HIS 168 Cb 0.09 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 3ijr n HIS 168 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ijr s LEU 169 N -2.78 4.28 0.32 2.41 1.43 -1.03 -4.57 118.68 118.74 3ijr s LEU 169 Ca 0.00 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 3ijr s LEU 169 Cb 0.04 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3ijr s LEU 169 CO 0.26 0.06 0.19 -0.54 0.23 0.00 0.00 176.35 176.54 3ijr s LYS 170 N -2.26 1.66 0.08 1.70 1.02 -1.26 -4.98 119.74 115.70 3ijr s LYS 170 Ca 0.40 -1.96 -0.37 0.00 0.02 0.00 0.00 55.97 54.06 3ijr s LYS 170 Cb -0.13 -0.00 -0.17 0.00 -0.52 0.00 0.00 37.83 37.00 3ijr s LYS 170 CO 0.20 -0.52 1.25 0.94 -0.92 0.00 0.00 175.35 176.30 3ijr n GLN 171 N -0.62 0.90 0.00 1.68 7.27 -1.21 -0.71 117.38 124.70 3ijr n GLN 171 Ca 0.02 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.42 3ijr n GLN 171 Cb 0.64 -1.91 0.00 0.00 2.41 0.00 0.00 30.24 31.38 3ijr n GLN 171 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ijr n GLY 172 N 2.24 1.08 3.91 1.69 0.00 0.12 -4.98 105.19 109.23 3ijr n GLY 172 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3ijr n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ijr s ASP 173 N -2.37 5.20 -0.01 1.61 1.01 0.12 -4.95 116.67 117.27 3ijr s ASP 173 Ca 0.00 0.80 -0.08 0.00 0.71 0.00 0.00 52.55 53.98 3ijr s ASP 173 Cb 0.00 -1.57 0.01 0.00 1.01 0.00 0.00 42.92 42.36 3ijr s ASP 173 CO 0.00 -1.40 0.16 -0.69 0.21 0.00 0.00 175.17 173.44 3ijr s VAL 174 N -3.26 0.07 -0.05 -1.27 1.01 -0.65 -2.17 120.40 114.07 3ijr s VAL 174 Ca 0.58 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3ijr s VAL 174 Cb -0.11 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 3ijr s VAL 174 CO 0.48 -0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.46 3ijr s ILE 175 N -1.10 1.61 -0.06 2.22 1.01 -0.09 -1.08 121.20 123.71 3ijr s ILE 175 Ca -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3ijr s ILE 175 Cb -0.06 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 41.03 3ijr s ILE 175 CO 0.01 0.46 -0.16 -0.63 0.00 0.00 0.00 174.94 174.63 3ijr s ILE 176 N 0.07 1.37 -0.10 2.92 1.01 0.50 -2.10 121.20 124.87 3ijr s ILE 176 Ca -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3ijr s ILE 176 Cb -0.13 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 3ijr s ILE 176 CO 0.03 0.40 -0.16 0.20 0.00 0.00 0.00 174.94 175.42 3ijr s ASN 177 N 0.42 3.81 -0.24 3.58 0.01 -0.09 -0.93 114.94 121.49 3ijr s ASN 177 Ca -0.12 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 51.46 3ijr s ASN 177 Cb -0.15 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 3ijr s ASN 177 CO 0.04 0.22 0.75 -0.89 -1.51 0.00 0.00 177.10 175.71 3ijr s THR 178 N 0.04 4.90 0.00 1.60 2.01 -0.04 -1.93 115.64 122.23 3ijr s THR 178 Ca -0.06 1.40 0.00 0.00 0.31 0.00 0.00 61.69 63.34 3ijr s THR 178 Cb -0.15 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.32 3ijr s THR 178 CO 0.05 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 3ijr n ALA 179 N 5.85 0.00 -3.60 7.40 0.00 0.60 -4.88 120.51 125.87 3ijr n ALA 179 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 3ijr n ALA 179 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3ijr n ALA 179 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ijr s SER 180 N -0.55 -0.20 0.53 0.00 0.15 -1.26 -4.44 113.70 107.94 3ijr s SER 180 Ca 0.00 0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.12 3ijr s SER 180 Cb 0.00 0.17 1.45 0.00 -1.71 0.00 0.00 66.02 65.93 3ijr s SER 180 CO 0.00 -0.21 1.93 -0.29 1.20 0.00 0.00 173.24 175.87 3ijr h ILE 181 N 2.25 0.62 0.00 6.45 2.10 -1.39 -2.14 117.51 125.41 3ijr h ILE 181 Ca -0.13 -0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.81 3ijr h ILE 181 Cb 1.18 0.62 -0.00 0.00 -1.09 0.00 0.00 36.82 37.52 3ijr h ILE 181 CO 0.26 0.00 -0.01 -0.37 -1.08 0.00 0.00 178.15 176.96 3ijr h VAL 182 N 0.01 0.03 0.00 2.19 -1.51 -1.86 -0.21 116.25 114.90 3ijr h VAL 182 Ca 0.36 -0.31 -0.07 0.00 -1.23 0.00 0.00 66.70 65.44 3ijr h VAL 182 Cb 1.43 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 3ijr h VAL 182 CO -0.01 0.01 -0.35 0.00 -1.23 0.00 0.00 177.57 175.99 3ijr h ALA 183 N 1.99 1.20 0.07 5.19 0.00 -1.61 -0.64 119.26 125.46 3ijr h ALA 183 Ca -0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 54.91 54.22 3ijr h ALA 183 Cb 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ijr h ALA 183 CO 0.00 0.44 -2.20 0.66 0.00 0.00 0.00 179.25 178.15 3ijr n TYR 184 N -3.80 0.69 -0.01 0.00 4.01 -0.23 -4.59 117.16 113.24 3ijr n TYR 184 Ca -0.01 0.15 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 3ijr n TYR 184 Cb 0.43 -1.09 -0.16 0.00 -0.31 0.00 0.00 39.34 38.21 3ijr n TYR 184 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3ijr n GLU 185 N -3.42 0.66 0.00 -0.72 0.28 -0.40 -5.07 120.64 111.97 3ijr n GLU 185 Ca -0.38 -0.17 0.00 0.00 -0.16 0.00 0.00 57.16 56.45 3ijr n GLU 185 Cb 1.01 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 32.34 3ijr n GLU 185 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ijr n GLY 186 N 1.28 -2.23 2.96 -1.84 0.00 -0.25 -5.02 105.19 100.10 3ijr n GLY 186 Ca -0.05 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 3ijr n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ijr s ASN 187 N -3.56 0.46 0.58 1.61 3.84 -1.26 -4.78 114.94 111.84 3ijr s ASN 187 Ca 0.00 0.37 0.35 0.00 0.21 0.00 0.00 52.86 53.80 3ijr s ASN 187 Cb 0.00 0.84 1.76 0.00 -0.55 0.00 0.00 41.25 43.30 3ijr s ASN 187 CO 0.00 -0.27 2.15 1.05 -2.79 0.00 0.00 177.10 177.23 3ijr h GLU 188 N 8.25 0.00 -0.10 0.43 4.11 -1.97 -2.11 114.58 123.18 3ijr h GLU 188 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3ijr h GLU 188 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ijr h GLU 188 CO 0.20 0.04 0.00 0.25 0.07 0.00 0.00 179.01 179.57 3ijr n THR 189 N -3.26 0.14 -2.89 -1.06 -2.24 -1.26 -4.51 114.28 99.19 3ijr n THR 189 Ca -0.01 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.03 3ijr n THR 189 Cb 0.20 1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 3ijr n THR 189 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ijr n LEU 190 N 1.06 1.90 -0.07 3.22 4.77 -0.80 -1.27 117.00 125.80 3ijr n LEU 190 Ca 0.12 -4.63 -0.11 0.00 -0.03 0.00 0.00 56.01 51.35 3ijr n LEU 190 Cb 0.47 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.85 3ijr n LEU 190 CO 0.12 2.02 0.77 0.40 -1.33 0.00 0.00 177.39 179.37 3ijr h ILE 191 N 2.14 1.25 -0.26 -0.08 2.04 -1.78 0.10 117.51 120.91 3ijr h ILE 191 Ca 0.05 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 3ijr h ILE 191 Cb 0.99 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 3ijr h ILE 191 CO 0.57 0.26 -0.13 -2.24 0.00 0.00 0.00 178.15 176.61 3ijr h ASP 192 N 0.14 0.57 -0.51 1.72 2.03 -1.93 -2.42 116.42 116.03 3ijr h ASP 192 Ca 0.06 -0.41 0.07 0.00 -0.73 0.00 0.00 57.03 56.02 3ijr h ASP 192 Cb 0.37 -0.16 -0.06 0.00 -0.83 0.00 0.00 39.33 38.66 3ijr h ASP 192 CO 0.01 0.86 0.17 0.22 -1.03 0.00 0.00 179.24 179.47 3ijr h TYR 193 N 0.29 0.30 -0.43 4.15 3.20 -1.91 -1.72 116.97 120.85 3ijr h TYR 193 Ca 0.06 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3ijr h TYR 193 Cb 0.64 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3ijr h TYR 193 CO 0.06 0.09 0.05 0.66 -1.64 0.00 0.00 178.16 177.38 3ijr h SER 194 N 0.35 0.62 -0.63 -2.11 4.64 -0.73 -1.55 113.55 114.14 3ijr h SER 194 Ca 0.25 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 3ijr h SER 194 Cb 0.27 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3ijr h SER 194 CO -0.26 0.66 0.21 0.00 -0.87 0.00 0.00 176.83 176.57 3ijr h ALA 195 N 1.42 1.14 -0.23 5.18 0.00 -0.96 0.21 119.26 126.02 3ijr h ALA 195 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3ijr h ALA 195 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ijr h ALA 195 CO 0.01 0.60 -0.34 1.79 0.00 0.00 0.00 179.25 181.31 3ijr h THR 196 N 0.96 1.29 -0.14 0.00 1.35 -0.55 -1.26 112.91 114.55 3ijr h THR 196 Ca 0.22 -1.44 -0.17 0.00 -0.55 0.00 0.00 66.41 64.47 3ijr h THR 196 Cb 0.26 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3ijr h THR 196 CO -0.01 0.45 -0.62 0.11 -0.25 0.00 0.00 175.52 175.20 3ijr h LYS 197 N 0.41 0.50 -0.85 4.72 1.79 -0.68 -0.95 116.57 121.51 3ijr h LYS 197 Ca 0.05 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 58.13 3ijr h LYS 197 Cb 0.79 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 3ijr h LYS 197 CO 0.06 0.97 0.41 0.78 -1.08 0.00 0.00 179.45 180.59 3ijr h GLY 198 N 1.12 1.32 0.93 3.86 0.00 -0.86 -1.75 103.07 107.70 3ijr h GLY 198 Ca -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.69 3ijr h GLY 198 CO 0.11 0.63 0.62 0.00 0.00 0.00 0.00 176.54 177.90 3ijr h ALA 199 N 1.22 1.24 -0.57 3.60 0.00 -0.73 -2.35 119.26 121.67 3ijr h ALA 199 Ca 0.29 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3ijr h ALA 199 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ijr h ALA 199 CO -0.04 0.54 0.02 0.82 0.00 0.00 0.00 179.25 180.59 3ijr h ILE 200 N 1.24 1.26 -0.41 0.00 2.04 -0.65 -1.21 117.51 119.78 3ijr h ILE 200 Ca 0.37 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3ijr h ILE 200 Cb -0.06 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3ijr h ILE 200 CO -0.10 0.39 0.25 0.58 0.00 0.00 0.00 178.15 179.27 3ijr h VAL 201 N 0.90 1.13 -0.21 1.67 2.07 -0.98 0.61 116.25 121.44 3ijr h VAL 201 Ca 0.17 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 3ijr h VAL 201 Cb 0.51 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3ijr h VAL 201 CO 0.02 0.13 -0.48 0.00 0.02 0.00 0.00 177.57 177.26 3ijr h ALA 202 N 1.11 0.76 -0.38 1.67 0.00 -1.31 -1.81 119.26 119.30 3ijr h ALA 202 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ijr h ALA 202 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ijr h ALA 202 CO -0.03 0.67 0.22 0.35 0.00 0.00 0.00 179.25 180.46 3ijr h PHE 203 N 0.45 0.50 -0.21 0.00 3.57 -1.02 -0.37 116.94 119.87 3ijr h PHE 203 Ca 0.02 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3ijr h PHE 203 Cb 1.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3ijr h PHE 203 CO 0.04 0.37 0.08 1.15 -2.23 0.00 0.00 178.31 177.72 3ijr h THR 204 N 0.49 0.96 -0.02 4.41 2.02 -0.65 0.24 112.91 120.35 3ijr h THR 204 Ca 0.13 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3ijr h THR 204 Cb 0.02 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3ijr h THR 204 CO -0.02 0.03 0.01 0.03 0.37 0.00 0.00 175.52 175.94 3ijr h ARG 205 N 0.18 0.03 -0.16 6.66 3.08 -1.14 -1.22 114.38 121.81 3ijr h ARG 205 Ca 0.09 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3ijr h ARG 205 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3ijr h ARG 205 CO -0.09 0.09 0.01 0.77 -1.07 0.00 0.00 179.97 179.68 3ijr h SER 206 N -0.03 0.27 -0.63 7.04 0.02 -0.96 -2.99 113.55 116.26 3ijr h SER 206 Ca 0.01 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 3ijr h SER 206 Cb 0.07 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3ijr h SER 206 CO -0.00 0.49 0.26 0.25 -1.14 0.00 0.00 176.83 176.69 3ijr h LEU 207 N 0.03 0.89 -1.04 5.07 5.85 -0.53 -1.69 115.31 123.90 3ijr h LEU 207 Ca 0.05 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.74 3ijr h LEU 207 Cb 0.35 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 3ijr h LEU 207 CO 0.01 0.79 0.63 0.77 -0.34 0.00 0.00 178.44 180.30 3ijr h SER 208 N 0.95 0.95 0.13 1.25 4.64 -1.11 -0.55 113.55 119.81 3ijr h SER 208 Ca 0.22 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.41 3ijr h SER 208 Cb 0.18 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3ijr h SER 208 CO -0.02 0.55 -0.62 1.56 -0.87 0.00 0.00 176.83 177.43 3ijr h GLN 209 N 1.04 0.48 -0.55 4.77 4.20 -1.29 -1.97 115.11 121.79 3ijr h GLN 209 Ca 0.46 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3ijr h GLN 209 Cb 0.37 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3ijr h GLN 209 CO -0.22 0.94 0.18 1.03 -0.67 0.00 0.00 178.83 180.09 3ijr h SER 210 N 0.35 0.80 -0.12 1.46 0.87 -0.29 -3.29 113.55 113.34 3ijr h SER 210 Ca -0.01 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3ijr h SER 210 Cb 1.16 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3ijr h SER 210 CO 0.11 0.79 0.00 0.18 -0.53 0.00 0.00 176.83 177.38 3ijr n LEU 211 N -4.46 3.11 -0.28 2.23 4.77 -0.34 -4.58 117.00 117.45 3ijr n LEU 211 Ca 0.02 -1.12 -0.03 0.00 -0.03 0.00 0.00 56.01 54.86 3ijr n LEU 211 Cb 0.20 -0.06 0.14 0.00 -2.33 0.00 0.00 43.42 41.36 3ijr n LEU 211 CO 0.39 0.56 1.16 1.62 -1.33 0.00 0.00 177.39 179.79 3ijr h VAL 212 N 4.66 1.24 0.00 4.08 3.04 -1.42 -1.26 116.25 126.59 3ijr h VAL 212 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3ijr h VAL 212 Cb 1.00 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3ijr h VAL 212 CO 0.00 0.27 0.00 0.00 -1.01 0.00 0.00 177.57 176.83 3ijr n GLN 213 N -4.34 0.20 -0.04 4.17 6.02 -1.26 -1.44 117.38 120.69 3ijr n GLN 213 Ca 0.08 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.49 3ijr n GLN 213 Cb 0.11 -1.79 0.50 0.00 1.02 0.00 0.00 30.24 30.07 3ijr n GLN 213 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3ijr n LYS 214 N -2.15 1.53 -1.75 -1.09 5.02 -0.49 -4.92 118.16 114.31 3ijr n LYS 214 Ca 0.04 -0.79 -0.09 0.00 -2.02 0.00 0.00 58.31 55.45 3ijr n LYS 214 Cb 0.32 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3ijr n LYS 214 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijr n GLY 215 N 1.08 0.48 3.30 0.72 0.00 -0.52 -3.33 105.19 106.93 3ijr n GLY 215 Ca 0.17 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 3ijr n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ijr s ILE 216 N -2.39 3.33 0.19 -0.61 1.01 -1.11 0.11 121.20 121.74 3ijr s ILE 216 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 3ijr s ILE 216 Cb 0.00 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 3ijr s ILE 216 CO 0.00 0.43 0.59 -0.13 0.00 0.00 0.00 174.94 175.82 3ijr s ARG 217 N 1.47 3.97 -0.09 2.79 0.52 -0.92 -4.21 118.95 122.48 3ijr s ARG 217 Ca 0.06 0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 55.76 3ijr s ARG 217 Cb -0.14 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.54 3ijr s ARG 217 CO -0.04 0.40 -0.03 0.08 0.02 0.00 0.00 175.30 175.74 3ijr s VAL 218 N -1.60 0.67 0.26 3.52 1.01 -1.26 -0.91 120.40 122.09 3ijr s VAL 218 Ca 0.42 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3ijr s VAL 218 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3ijr s VAL 218 CO 0.20 0.29 0.23 0.20 0.00 0.00 0.00 175.10 176.02 3ijr s ASN 219 N 1.85 0.73 0.17 3.32 0.01 -0.89 -0.36 114.94 119.78 3ijr s ASN 219 Ca 0.05 -1.50 -0.01 0.00 -0.71 0.00 0.00 52.86 50.69 3ijr s ASN 219 Cb -0.13 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 3ijr s ASN 219 CO -0.07 -0.98 0.09 -0.83 -1.51 0.00 0.00 177.10 173.81 3ijr s GLY 220 N -3.23 1.26 -0.05 0.66 0.00 -0.05 -0.92 107.32 104.99 3ijr s GLY 220 Ca 0.38 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.53 3ijr s GLY 220 CO 0.18 -1.40 -0.19 0.14 0.00 0.00 0.00 173.10 171.82 3ijr s VAL 221 N -4.06 1.61 -0.56 1.40 1.01 -0.81 -1.00 120.40 118.00 3ijr s VAL 221 Ca 0.32 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3ijr s VAL 221 Cb 0.07 -1.39 0.14 0.00 0.00 0.00 0.00 36.38 35.21 3ijr s VAL 221 CO 0.07 0.46 0.34 0.00 0.00 0.00 0.00 175.10 175.97 3ijr s ALA 222 N 0.09 3.41 0.63 5.51 0.00 0.05 -0.30 121.76 131.16 3ijr s ALA 222 Ca -0.06 -3.17 -0.16 0.00 0.00 0.00 0.00 51.96 48.56 3ijr s ALA 222 Cb -0.13 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3ijr s ALA 222 CO 0.03 -2.03 1.11 -2.14 0.00 0.00 0.00 175.76 172.74 3ijr s PRO 223 N -0.01 2.97 0.00 0.00 0.02 -1.26 -2.06 135.00 134.67 3ijr s PRO 223 Ca 0.16 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.60 3ijr s PRO 223 Cb -0.22 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3ijr s PRO 223 CO -0.03 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 3ijr n GLY 224 N -0.41 1.76 3.62 0.52 0.00 -0.40 -1.32 105.19 108.97 3ijr n GLY 224 Ca 0.10 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3ijr n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ijr s PRO 225 N 3.41 3.76 -0.10 1.61 0.04 -1.26 -4.93 135.00 137.53 3ijr s PRO 225 Ca 0.00 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.32 3ijr s PRO 225 Cb 0.00 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 3ijr s PRO 225 CO 0.00 -1.32 -0.19 0.42 0.04 0.00 0.00 177.00 175.95 3ijr s ILE 226 N 4.97 2.55 -0.68 0.56 -1.09 -1.26 -0.25 121.20 126.01 3ijr s ILE 226 Ca 0.62 -0.86 -0.26 0.00 -2.23 0.00 0.00 60.65 57.92 3ijr s ILE 226 Cb -0.18 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 3ijr s ILE 226 CO 0.28 0.55 1.90 0.86 -1.23 0.00 0.00 174.94 177.29 3ijr s TRP 227 N 0.10 1.68 0.20 3.97 -0.00 0.05 -4.84 118.94 120.09 3ijr s TRP 227 Ca -0.09 0.77 -0.04 0.00 -0.00 0.00 0.00 56.10 56.74 3ijr s TRP 227 Cb -0.15 -4.06 -0.03 0.00 -0.00 0.00 0.00 33.47 29.22 3ijr s TRP 227 CO 0.06 -2.18 0.21 0.95 -0.00 0.00 0.00 176.95 175.98 3ijr s THR 228 N 9.42 0.02 0.27 5.86 -4.23 -1.26 -4.45 115.64 121.26 3ijr s THR 228 Ca 0.69 -1.82 0.35 0.00 -1.18 0.00 0.00 61.69 59.73 3ijr s THR 228 Cb -0.11 -2.33 0.35 0.00 1.34 0.00 0.00 72.50 71.75 3ijr s THR 228 CO 0.16 -0.08 2.06 -0.65 -0.54 0.00 0.00 174.62 175.56 3ijr h PRO 229 N 2.57 0.00 0.00 3.99 0.11 -1.91 -1.84 132.00 134.93 3ijr h PRO 229 Ca -0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3ijr h PRO 229 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ijr h PRO 229 CO 0.50 0.00 -0.17 1.25 -0.21 0.00 0.00 178.00 179.37 3ijr h LEU 230 N 0.00 0.00 0.12 2.35 5.85 -1.93 -2.88 115.31 118.82 3ijr h LEU 230 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ijr h LEU 230 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3ijr h LEU 230 CO 0.00 0.17 -0.06 0.40 -0.34 0.00 0.00 178.44 178.61 3ijr h ILE 231 N 0.00 0.00 0.00 4.05 1.08 -1.65 -2.80 117.51 118.19 3ijr h ILE 231 Ca -0.00 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 3ijr h ILE 231 Cb 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 3ijr h ILE 231 CO 0.02 0.00 0.00 1.55 -0.69 0.00 0.00 178.15 179.03 3ijr h PRO 232 N -0.92 0.00 -0.01 2.37 0.13 -1.70 -1.67 132.00 130.21 3ijr h PRO 232 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ijr h PRO 232 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 3ijr h PRO 232 CO 0.03 0.00 -0.24 -1.13 -0.23 0.00 0.00 178.00 176.43 3ijr n SER 233 N -2.90 0.87 -0.01 1.44 3.41 -1.09 -0.80 113.62 114.55 3ijr n SER 233 Ca -0.00 -0.77 -0.01 0.00 -0.26 0.00 0.00 58.87 57.83 3ijr n SER 233 Cb 0.22 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3ijr n SER 233 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ijr n SER 234 N -0.77 3.92 -4.93 4.04 3.41 -1.02 -4.47 113.62 113.81 3ijr n SER 234 Ca 0.12 -0.01 -0.26 0.00 -0.26 0.00 0.00 58.87 58.47 3ijr n SER 234 Cb 0.33 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 3ijr n SER 234 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ijr s PHE 235 N -2.02 3.49 0.82 7.33 0.08 -0.66 -4.53 117.98 122.49 3ijr s PHE 235 Ca -0.02 0.41 -0.12 0.00 0.12 0.00 0.00 56.93 57.32 3ijr s PHE 235 Cb 0.00 -1.93 0.09 0.00 -0.57 0.00 0.00 43.02 40.61 3ijr s PHE 235 CO 0.03 0.20 1.15 0.16 -0.10 0.00 0.00 175.22 176.66 3ijr s ASP 236 N -3.62 4.37 0.23 1.36 3.84 -1.26 -4.76 116.67 116.83 3ijr s ASP 236 Ca 0.40 0.91 -0.07 0.00 -0.00 0.00 0.00 52.55 53.79 3ijr s ASP 236 Cb -0.10 -1.48 0.30 0.00 -1.38 0.00 0.00 42.92 40.26 3ijr s ASP 236 CO 0.33 -2.00 1.83 -0.33 -0.00 0.00 0.00 175.17 174.99 3ijr h GLU 237 N -1.12 0.79 0.06 2.11 5.08 -1.94 -1.02 114.58 118.54 3ijr h GLU 237 Ca -0.47 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3ijr h GLU 237 Cb 1.32 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3ijr h GLU 237 CO 0.64 0.52 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.75 3ijr h LYS 238 N 0.82 -0.35 -0.82 2.33 1.63 -1.93 -0.59 116.57 117.65 3ijr h LYS 238 Ca 0.34 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 3ijr h LYS 238 Cb 0.21 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 3ijr h LYS 238 CO -0.19 -0.24 0.49 -0.22 -3.45 0.00 0.00 179.45 175.85 3ijr h LYS 239 N -0.37 1.11 -0.75 1.90 1.63 -1.84 -2.54 116.57 115.72 3ijr h LYS 239 Ca 0.04 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3ijr h LYS 239 Cb 0.42 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3ijr h LYS 239 CO -0.15 0.79 0.43 0.28 -3.45 0.00 0.00 179.45 177.34 3ijr h VAL 240 N 1.12 1.22 0.00 2.00 2.07 -0.82 -2.01 116.25 119.84 3ijr h VAL 240 Ca 0.29 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3ijr h VAL 240 Cb -0.04 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3ijr h VAL 240 CO -0.05 0.24 -0.01 0.77 0.02 0.00 0.00 177.57 178.53 3ijr h SER 241 N 1.03 0.00 -0.17 0.57 4.64 -0.68 -2.56 113.55 116.37 3ijr h SER 241 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3ijr h SER 241 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ijr h SER 241 CO -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 3ijr n GLN 242 N -4.26 1.66 -1.64 4.77 6.02 -1.05 0.27 117.38 123.15 3ijr n GLN 242 Ca -0.03 -1.67 -0.51 0.00 -0.01 0.00 0.00 57.00 54.78 3ijr n GLN 242 Cb 0.10 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 3ijr n GLN 242 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3ijr n PHE 243 N 0.84 1.87 -0.31 1.08 7.35 -0.78 -1.73 117.46 125.78 3ijr n PHE 243 Ca 0.11 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.27 3ijr n PHE 243 Cb 0.41 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 37.80 3ijr n PHE 243 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ijr n GLY 244 N 3.17 1.55 0.24 7.13 0.00 -1.26 -4.27 105.19 111.76 3ijr n GLY 244 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3ijr n GLY 244 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ijr h SER 245 N 0.00 0.00 1.11 1.61 4.64 -1.62 -2.37 113.55 116.92 3ijr h SER 245 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3ijr h SER 245 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3ijr h SER 245 CO 0.00 0.17 -0.32 -0.55 -0.87 0.00 0.00 176.83 175.26 3ijr h ASN 246 N 0.00 0.00 -4.12 4.97 -1.07 -1.91 -3.43 115.58 110.03 3ijr h ASN 246 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 56.30 55.88 3ijr h ASN 246 Cb 0.62 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.91 3ijr h ASN 246 CO 0.02 0.32 0.33 0.68 0.07 0.00 0.00 177.43 178.85 3ijr s VAL 247 N -3.43 4.68 0.00 6.14 -7.23 -1.22 -4.93 120.40 114.41 3ijr s VAL 247 Ca 0.02 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 3ijr s VAL 247 Cb 0.09 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.24 3ijr s VAL 247 CO 0.68 -0.86 0.00 -2.65 -0.31 0.00 0.00 175.10 171.96 3ijr n PRO 248 N -2.06 0.00 -1.24 4.82 -0.02 -1.17 -4.47 135.00 130.85 3ijr n PRO 248 Ca 0.05 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3ijr n PRO 248 Cb 0.54 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 3ijr n PRO 248 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ijr n GLN 250 N 1.32 0.03 -3.50 -0.52 6.02 -1.26 -5.04 117.38 114.42 3ijr n GLN 250 Ca 0.00 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 3ijr n GLN 250 Cb 0.00 0.15 -0.04 0.00 1.02 0.00 0.00 30.24 31.37 3ijr n GLN 250 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3ijr s ARG 251 N 0.00 0.99 0.67 -1.09 1.70 -0.90 -4.72 118.95 115.60 3ijr s ARG 251 Ca 0.00 -0.08 -0.12 0.00 -0.47 0.00 0.00 55.73 55.07 3ijr s ARG 251 Cb 0.01 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 3ijr s ARG 251 CO -0.00 -0.37 1.05 -1.25 -1.08 0.00 0.00 175.30 173.65 3ijr s PRO 252 N -2.28 3.10 0.44 3.89 0.04 -1.25 -4.78 135.00 134.15 3ijr s PRO 252 Ca -0.03 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 61.89 3ijr s PRO 252 Cb -0.01 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3ijr s PRO 252 CO -0.02 -0.97 0.79 0.20 0.04 0.00 0.00 177.00 177.04 3ijr s GLY 253 N -3.65 1.83 0.15 0.56 0.00 0.66 -4.87 107.32 102.00 3ijr s GLY 253 Ca 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.03 3ijr s GLY 253 CO 0.51 -0.07 0.35 1.20 0.00 0.00 0.00 173.10 175.10 3ijr s GLN 254 N -4.14 3.55 0.41 2.90 -1.52 -1.26 -0.77 119.66 118.83 3ijr s GLN 254 Ca 0.51 -0.25 0.13 0.00 -1.95 0.00 0.00 55.36 53.80 3ijr s GLN 254 Cb -0.10 -2.88 0.98 0.00 -0.22 0.00 0.00 33.01 30.79 3ijr s GLN 254 CO 0.36 0.47 1.92 -1.35 -0.25 0.00 0.00 175.29 176.44 3ijr h PRO 255 N 2.57 0.48 0.00 2.91 0.11 -1.75 -0.22 132.00 136.09 3ijr h PRO 255 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3ijr h PRO 255 Cb 1.17 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ijr h PRO 255 CO 0.72 0.31 -0.08 0.10 -0.21 0.00 0.00 178.00 178.84 3ijr h TYR 256 N 0.49 0.00 0.00 0.65 -0.00 -1.48 -1.30 116.97 115.33 3ijr h TYR 256 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 3ijr h TYR 256 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.47 3ijr h TYR 256 CO -0.00 0.08 0.00 0.39 -0.00 0.00 0.00 178.16 178.63 3ijr n GLU 257 N -3.80 0.04 -0.04 0.10 1.02 -0.09 -2.97 120.64 114.89 3ijr n GLU 257 Ca -0.02 0.17 -0.04 0.00 -0.02 0.00 0.00 57.16 57.25 3ijr n GLU 257 Cb 0.18 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 3ijr n GLU 257 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ijr n LEU 258 N -1.47 0.29 -0.33 -4.62 4.32 -0.49 -4.61 117.00 110.09 3ijr n LEU 258 Ca 0.05 0.13 0.03 0.00 -0.02 0.00 0.00 56.01 56.20 3ijr n LEU 258 Cb 0.21 0.27 0.18 0.00 -1.62 0.00 0.00 43.42 42.45 3ijr n LEU 258 CO 0.17 0.31 1.20 0.00 -1.22 0.00 0.00 177.39 177.85 3ijr h ALA 259 N 1.29 1.29 -0.07 -1.18 0.00 -1.54 -2.63 119.26 116.41 3ijr h ALA 259 Ca -0.33 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3ijr h ALA 259 Cb 1.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3ijr h ALA 259 CO 0.03 0.24 -0.04 -1.35 0.00 0.00 0.00 179.25 178.14 3ijr h PRO 260 N 0.96 0.10 -0.73 0.00 0.11 -1.82 -1.25 132.00 129.37 3ijr h PRO 260 Ca 0.42 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.50 3ijr h PRO 260 Cb 0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 3ijr h PRO 260 CO -0.22 0.15 0.40 0.00 -0.21 0.00 0.00 178.00 178.13 3ijr h ALA 261 N 1.86 0.94 -0.63 -0.75 0.00 -1.77 0.27 119.26 119.18 3ijr h ALA 261 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3ijr h ALA 261 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ijr h ALA 261 CO 0.01 0.45 0.04 1.88 0.00 0.00 0.00 179.25 181.63 3ijr h TYR 262 N 1.01 1.18 -0.48 0.00 0.05 -1.31 -1.73 116.97 115.69 3ijr h TYR 262 Ca 0.26 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3ijr h TYR 262 Cb 0.04 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 3ijr h TYR 262 CO -0.00 1.02 0.28 0.28 -1.05 0.00 0.00 178.16 178.69 3ijr h VAL 263 N 1.00 1.15 -0.15 -2.88 2.07 -1.02 0.27 116.25 116.69 3ijr h VAL 263 Ca 0.18 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ijr h VAL 263 Cb 0.52 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3ijr h VAL 263 CO 0.03 0.16 -0.09 0.22 0.02 0.00 0.00 177.57 177.91 3ijr h TYR 264 N 0.64 -0.21 0.00 1.57 3.20 -0.76 -1.95 116.97 119.47 3ijr h TYR 264 Ca 0.17 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 3ijr h TYR 264 Cb 0.00 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3ijr h TYR 264 CO -0.03 -0.14 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.84 3ijr h LEU 265 N -0.08 0.00 0.00 2.82 3.38 -1.00 -3.23 115.31 117.20 3ijr h LEU 265 Ca 0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3ijr h LEU 265 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ijr h LEU 265 CO -0.20 0.45 -0.73 0.00 0.09 0.00 0.00 178.44 178.05 3ijr h ALA 266 N 1.55 0.61 -1.35 1.53 0.00 -0.14 -3.46 119.26 117.99 3ijr h ALA 266 Ca -0.00 -0.61 -0.45 0.00 0.00 0.00 0.00 54.91 53.84 3ijr h ALA 266 Cb 0.96 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.75 3ijr h ALA 266 CO 0.06 0.80 -0.06 -1.54 0.00 0.00 0.00 179.25 178.51 3ijr s SER 267 N -6.43 5.08 0.03 0.00 1.04 -0.76 -4.88 113.70 107.77 3ijr s SER 267 Ca 0.02 -0.41 0.12 0.00 0.48 0.00 0.00 55.95 56.17 3ijr s SER 267 Cb 0.08 -0.31 0.52 0.00 0.10 0.00 0.00 66.02 66.42 3ijr s SER 267 CO 0.77 -1.30 1.38 -1.54 0.98 0.00 0.00 173.24 173.54 3ijr n SER 268 N -2.34 0.07 0.15 7.02 3.41 -1.26 -2.70 113.62 117.97 3ijr n SER 268 Ca 0.12 0.52 0.17 0.00 -0.26 0.00 0.00 58.87 59.42 3ijr n SER 268 Cb 0.60 -0.53 0.77 0.00 -0.26 0.00 0.00 64.21 64.79 3ijr n SER 268 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ijr h ASP 269 N 0.00 0.00 -0.57 4.04 3.32 -1.91 -1.93 116.42 119.37 3ijr h ASP 269 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3ijr h ASP 269 Cb 0.20 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.52 3ijr h ASP 269 CO 0.00 0.00 -0.09 -1.54 -1.72 0.00 0.00 179.24 175.89 3ijr n SER 270 N -4.00 3.89 0.13 6.45 3.41 -1.10 -4.80 113.62 117.60 3ijr n SER 270 Ca 0.03 -3.78 0.19 0.00 -0.26 0.00 0.00 58.87 55.06 3ijr n SER 270 Cb 0.39 -0.63 0.77 0.00 -0.26 0.00 0.00 64.21 64.48 3ijr n SER 270 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ijr h SER 271 N 1.44 0.00 -0.53 4.04 4.64 -1.54 -1.17 113.55 120.44 3ijr h SER 271 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 3ijr h SER 271 Cb 1.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.58 3ijr h SER 271 CO 0.69 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.74 3ijr n TYR 272 N -3.70 1.83 -4.06 4.77 9.36 -1.26 -4.91 117.16 119.19 3ijr n TYR 272 Ca 0.06 -1.00 -0.31 0.00 3.32 0.00 0.00 57.90 59.96 3ijr n TYR 272 Cb 0.54 -0.52 -0.16 0.00 -0.63 0.00 0.00 39.34 38.57 3ijr n TYR 272 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3ijr s VAL 273 N -2.91 1.78 -0.03 2.97 1.01 -0.44 -5.10 120.40 117.69 3ijr s VAL 273 Ca 0.51 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 3ijr s VAL 273 Cb 0.40 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 35.16 3ijr s VAL 273 CO 0.12 0.47 0.39 0.28 0.00 0.00 0.00 175.10 176.36 3ijr s THR 274 N 1.40 0.04 0.00 3.92 -1.32 -1.26 -4.73 115.64 113.69 3ijr s THR 274 Ca 0.04 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 3ijr s THR 274 Cb -0.13 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 3ijr s THR 274 CO -0.11 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 3ijr n GLY 275 N 1.29 0.55 0.00 6.08 0.00 0.52 -4.98 105.19 108.66 3ijr n GLY 275 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3ijr n GLY 275 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ijr n GLN 276 N -2.89 3.52 -3.61 1.61 1.13 -1.26 -4.59 117.38 111.29 3ijr n GLN 276 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3ijr n GLN 276 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 3ijr n GLN 276 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ijr s ILE 278 N 3.41 -0.63 -0.37 5.09 -1.09 -0.17 -0.87 121.20 126.58 3ijr s ILE 278 Ca 0.00 0.14 -0.18 0.00 -2.23 0.00 0.00 60.65 58.38 3ijr s ILE 278 Cb 0.00 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.21 3ijr s ILE 278 CO 0.00 0.04 0.50 -1.00 -1.23 0.00 0.00 174.94 173.25 3ijr s HIS 279 N 2.59 3.17 -0.57 3.97 3.76 -1.26 -0.77 115.29 126.19 3ijr s HIS 279 Ca 0.01 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.01 3ijr s HIS 279 Cb -0.13 -2.93 0.15 0.00 1.11 0.00 0.00 32.58 30.78 3ijr s HIS 279 CO -0.13 -0.58 0.34 0.08 -0.85 0.00 0.00 174.74 173.60 3ijr s VAL 280 N 2.35 2.44 0.00 -0.90 1.01 -0.87 -4.91 120.40 119.52 3ijr s VAL 280 Ca 0.17 -3.51 0.00 0.00 0.00 0.00 0.00 61.98 58.64 3ijr s VAL 280 Cb -0.16 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3ijr s VAL 280 CO 0.14 -0.90 0.75 -0.46 0.00 0.00 0.00 175.10 174.62 3ijr n ASN 281 N 2.77 0.00 0.00 3.32 0.23 -1.26 -1.27 115.26 119.05 3ijr n ASN 281 Ca 0.11 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 3ijr n ASN 281 Cb 0.34 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3ijr n ASN 281 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ijr n GLY 282 N 0.00 0.46 0.00 4.83 0.00 -1.26 -4.05 105.19 105.17 3ijr n GLY 282 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3ijr n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijr n GLY 283 N -2.97 1.09 3.69 -0.02 0.00 -1.26 -3.06 105.19 102.66 3ijr n GLY 283 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ijr n GLY 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ijr s VAL 284 N -2.00 4.24 -0.04 1.61 1.01 -1.26 -4.69 120.40 119.28 3ijr s VAL 284 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3ijr s VAL 284 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3ijr s VAL 284 CO 0.00 0.03 0.99 -0.63 0.00 0.00 0.00 175.10 175.49 3ijr s ILE 285 N 1.91 4.84 -0.12 2.22 -1.09 -1.26 -4.93 121.20 122.76 3ijr s ILE 285 Ca 0.56 2.05 0.14 0.00 -2.23 0.00 0.00 60.65 61.18 3ijr s ILE 285 Cb -0.25 -4.32 0.32 0.00 -1.58 0.00 0.00 42.46 36.63 3ijr s ILE 285 CO 0.24 0.10 1.16 1.33 -1.23 0.00 0.00 174.94 176.54 3ijr n VAL 286 N 4.15 1.43 -3.08 2.92 0.24 -1.26 -4.95 118.33 117.77 3ijr n VAL 286 Ca 0.07 -2.09 -0.23 0.00 -2.04 0.00 0.00 64.34 60.05 3ijr n VAL 286 Cb 0.50 0.07 0.03 0.00 -1.47 0.00 0.00 33.84 32.97 3ijr n VAL 286 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3ijr n ASN 287 N -0.80 -5.68 0.00 -1.34 5.15 -1.26 -5.02 115.26 106.31 3ijr n ASN 287 Ca 0.13 -0.30 0.14 0.00 -0.60 0.00 0.00 54.58 53.95 3ijr n ASN 287 Cb 0.75 -4.60 0.83 0.00 -0.53 0.00 0.00 39.78 36.23 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27