#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijr n THR 9 N 0.00 0.00 -3.74 2.52 -2.24 0.99 -4.97 114.28 106.84 3ijr n THR 9 Ca 0.00 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 3ijr n THR 9 Cb 0.00 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.64 3.60 0.08 -0.78 0.02 -1.26 -5.05 135.00 130.97 3ijr s PRO 11 Ca 0.03 -0.02 -0.31 0.00 0.02 0.00 0.00 61.00 60.72 3ijr s PRO 11 Cb 0.03 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.36 3ijr s PRO 11 CO 0.07 0.67 1.74 0.00 -0.33 0.00 0.00 177.00 179.15 3ijr s ALA 12 N -1.25 3.70 0.12 -1.55 0.00 -1.26 -4.53 121.76 116.99 3ijr s ALA 12 Ca 0.26 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.26 3ijr s ALA 12 Cb -0.13 -3.74 0.08 0.00 0.00 0.00 0.00 23.12 19.33 3ijr s ALA 12 CO 0.14 -1.21 0.70 1.14 0.00 0.00 0.00 175.76 176.53 3ijr s GLN 13 N 2.94 1.17 -0.28 0.00 -2.07 -1.26 -5.03 119.66 115.13 3ijr s GLN 13 Ca 0.78 -0.45 -0.20 0.00 -1.82 0.00 0.00 55.36 53.67 3ijr s GLN 13 Cb -0.42 0.53 0.10 0.00 -1.09 0.00 0.00 33.01 32.13 3ijr s GLN 13 CO 0.34 -0.52 0.83 -1.58 -1.32 0.00 0.00 175.29 173.05 3ijr s HIS 14 N -3.57 -0.77 -0.17 9.60 2.46 -1.26 -4.06 115.29 117.52 3ijr s HIS 14 Ca 0.03 1.66 -0.06 0.00 0.47 0.00 0.00 55.06 57.16 3ijr s HIS 14 Cb -0.01 0.43 -0.04 0.00 -0.13 0.00 0.00 32.58 32.83 3ijr s HIS 14 CO -0.11 -0.38 0.04 -0.65 -2.47 0.00 0.00 174.74 171.18 3ijr s GLN 15 N 1.00 3.81 0.00 2.88 -0.21 0.32 -4.98 119.66 122.48 3ijr s GLN 15 Ca -0.05 -0.38 0.10 0.00 0.02 0.00 0.00 55.36 55.05 3ijr s GLN 15 Cb -0.05 -3.11 0.58 0.00 1.00 0.00 0.00 33.01 31.43 3ijr s GLN 15 CO -0.11 0.33 1.07 0.09 -2.12 0.00 0.00 175.29 174.54 3ijr n ASN 16 N 3.34 0.00 -3.77 5.90 3.02 -1.26 -4.45 115.26 118.03 3ijr n ASN 16 Ca -0.17 -0.87 -0.13 0.00 -0.03 0.00 0.00 54.58 53.38 3ijr n ASN 16 Cb 0.52 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 3ijr n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ijr s LYS 17 N -2.00 0.47 -0.00 3.52 2.20 -1.26 -5.16 119.74 117.51 3ijr s LYS 17 Ca 0.15 0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.99 3ijr s LYS 17 Cb 0.07 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3ijr s LYS 17 CO 0.11 -0.09 -0.19 -1.14 -0.36 0.00 0.00 175.35 173.68 3ijr s GLN 18 N -0.42 1.51 0.54 4.03 0.74 -1.26 -3.90 119.66 120.89 3ijr s GLN 18 Ca -0.05 -0.72 -0.22 0.00 0.05 0.00 0.00 55.36 54.42 3ijr s GLN 18 Cb -0.04 -1.48 -0.06 0.00 1.10 0.00 0.00 33.01 32.54 3ijr s GLN 18 CO 0.02 0.40 1.22 -2.30 -0.55 0.00 0.00 175.29 174.08 3ijr n PRO 19 N 2.48 1.48 -1.59 1.67 -0.02 -1.26 -5.15 135.00 132.61 3ijr n PRO 19 Ca -0.15 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 3ijr n PRO 19 Cb 0.53 -2.40 0.08 0.00 -0.02 0.00 0.00 33.50 31.69 3ijr n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ijr s GLY 20 N -0.94 1.63 -0.18 -1.23 0.00 -1.25 -5.05 107.32 100.30 3ijr s GLY 20 Ca 0.71 -0.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 3ijr s GLY 20 CO 0.50 0.25 -0.03 -0.42 0.00 0.00 0.00 173.10 173.40 3ijr s ILE 21 N -3.15 3.80 0.24 0.90 -1.09 -1.26 -4.86 121.20 115.78 3ijr s ILE 21 Ca 0.60 -0.37 -0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3ijr s ILE 21 Cb -0.14 -2.70 0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3ijr s ILE 21 CO 0.54 0.46 1.62 -0.08 -1.23 0.00 0.00 174.94 176.25 3ijr h GLU 22 N 7.23 0.52 0.00 2.79 4.81 -1.96 -3.09 114.58 124.87 3ijr h GLU 22 Ca -0.34 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.63 3ijr h GLU 22 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3ijr h GLU 22 CO 0.61 0.82 -0.01 0.66 -0.73 0.00 0.00 179.01 180.36 3ijr h SER 23 N 0.43 0.00 -0.34 1.04 4.64 -1.99 -3.45 113.55 113.87 3ijr h SER 23 Ca 0.04 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.77 3ijr h SER 23 Cb 0.87 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.92 3ijr h SER 23 CO 0.07 0.01 2.54 0.18 -0.87 0.00 0.00 176.83 178.77 3ijr n LEU 24 N -3.14 7.84 0.00 5.97 4.77 -1.17 -5.05 117.00 126.21 3ijr n LEU 24 Ca -0.01 -4.26 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 3ijr n LEU 24 Cb 0.20 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 3ijr n LEU 24 CO 0.24 1.99 0.00 -3.20 -1.33 0.00 0.00 177.39 175.09 3ijr n ASN 26 N 2.76 0.00 -4.86 -1.43 5.15 -1.26 -5.08 115.26 110.54 3ijr n ASN 26 Ca 0.67 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.35 3ijr n ASN 26 Cb 0.38 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.68 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 2.71 0.27 1.20 0.04 -1.26 -4.32 135.00 133.64 3ijr s PRO 27 Ca 0.00 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 3ijr s PRO 27 Cb 0.00 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 3ijr s PRO 27 CO 0.00 -1.16 1.31 -0.51 0.04 0.00 0.00 177.00 176.68 3ijr s LEU 28 N -5.46 4.43 0.50 -3.56 1.43 -1.26 -4.95 118.68 109.81 3ijr s LEU 28 Ca 0.59 2.54 -0.23 0.00 -1.03 0.00 0.00 54.13 56.00 3ijr s LEU 28 Cb -0.12 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3ijr s LEU 28 CO 0.53 -0.52 1.37 -2.65 0.23 0.00 0.00 176.35 175.31 3ijr n PRO 29 N 1.69 1.90 -2.96 1.29 -0.02 -1.26 -4.94 135.00 130.70 3ijr n PRO 29 Ca 0.03 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 3ijr n PRO 29 Cb 0.42 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 3ijr n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ijr s GLN 30 N -2.67 3.35 0.00 -0.52 -0.21 -1.26 -4.87 119.66 113.48 3ijr s GLN 30 Ca 0.67 -0.25 0.23 0.00 0.02 0.00 0.00 55.36 56.03 3ijr s GLN 30 Cb -0.44 -3.99 0.12 0.00 1.00 0.00 0.00 33.01 29.71 3ijr s GLN 30 CO 0.53 -1.22 1.18 1.97 -2.12 0.00 0.00 175.29 175.63 3ijr n PHE 31 N 6.82 0.00 -3.89 0.91 1.16 -1.26 -2.00 117.46 119.19 3ijr n PHE 31 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.47 3ijr n PHE 31 Cb 0.48 -0.01 -0.14 0.00 -1.61 0.00 0.00 39.48 38.20 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 -2.36 0.03 -0.31 3.97 2.12 -1.26 -4.27 118.70 116.62 3ijr s GLU 32 Ca 0.22 -0.02 -0.15 0.00 0.36 0.00 0.00 54.97 55.37 3ijr s GLU 32 Cb 0.19 -0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 3ijr s GLU 32 CO 0.50 0.01 0.37 0.34 -0.54 0.00 0.00 175.26 175.94 3ijr s ASP 33 N -0.04 6.21 0.35 -1.70 -1.08 -1.26 -4.93 116.67 114.23 3ijr s ASP 33 Ca -0.00 -0.02 0.07 0.00 -0.52 0.00 0.00 52.55 52.07 3ijr s ASP 33 Cb -0.00 -2.20 0.75 0.00 -1.46 0.00 0.00 42.92 40.01 3ijr s ASP 33 CO -0.00 -0.29 1.92 1.55 0.52 0.00 0.00 175.17 178.87 3ijr h PRO 34 N 8.36 0.73 -0.16 4.34 0.13 -2.03 -0.60 132.00 142.77 3ijr h PRO 34 Ca -0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3ijr h PRO 34 Cb 1.15 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3ijr h PRO 34 CO 0.68 0.48 0.00 0.09 -0.23 0.00 0.00 178.00 179.02 3ijr n ASN 35 N -4.51 0.98 -4.70 1.44 4.13 -1.26 -4.87 115.26 106.47 3ijr n ASN 35 Ca 0.13 -1.88 -0.42 0.00 1.68 0.00 0.00 54.58 54.09 3ijr n ASN 35 Cb 0.32 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 3ijr n ASN 35 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3ijr s TYR 36 N -1.78 2.97 -0.19 3.10 5.04 -0.24 -4.99 117.35 121.26 3ijr s TYR 36 Ca 0.18 0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3ijr s TYR 36 Cb 0.09 -3.69 0.01 0.00 0.35 0.00 0.00 41.96 38.72 3ijr s TYR 36 CO 0.13 -2.51 -0.16 0.21 -1.34 0.00 0.00 175.55 171.88 3ijr s LYS 37 N 1.93 3.10 0.73 4.97 2.20 -1.26 -5.02 119.74 126.38 3ijr s LYS 37 Ca 0.65 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 3ijr s LYS 37 Cb -0.34 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3ijr s LYS 37 CO 0.28 -0.19 1.07 0.20 -0.36 0.00 0.00 175.35 176.35 3ijr s GLY 38 N 1.30 1.66 -0.07 5.54 0.00 -1.26 -5.01 107.32 109.48 3ijr s GLY 38 Ca 0.04 0.02 0.15 0.00 0.00 0.00 0.00 44.72 44.94 3ijr s GLY 38 CO -0.10 0.36 1.14 -1.14 0.00 0.00 0.00 173.10 173.37 3ijr n SER 39 N -3.23 0.13 -2.37 1.64 3.41 -1.26 -5.00 113.62 106.94 3ijr n SER 39 Ca 0.07 -2.02 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 3ijr n SER 39 Cb 0.54 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.02 -2.07 0.26 4.33 1.02 -1.26 -4.89 120.64 118.01 3ijr n GLU 40 Ca -0.08 0.95 0.12 0.00 -0.02 0.00 0.00 57.16 58.13 3ijr n GLU 40 Cb 0.92 -5.59 0.73 0.00 -0.02 0.00 0.00 31.44 27.49 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 -0.20 0.00 -0.12 3.49 1.57 -1.90 -3.03 116.57 116.37 3ijr h LYS 41 Ca -0.48 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.15 3ijr h LYS 41 Cb 1.35 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.42 3ijr h LYS 41 CO 0.56 0.10 -0.81 1.28 -0.57 0.00 0.00 179.45 180.01 3ijr n LEU 42 N -3.78 2.15 -4.66 2.94 4.77 -0.26 -4.55 117.00 113.62 3ijr n LEU 42 Ca -0.02 -3.15 -0.48 0.00 -0.03 0.00 0.00 56.01 52.33 3ijr n LEU 42 Cb 0.21 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3ijr n LEU 42 CO 0.30 1.08 1.55 1.17 -1.33 0.00 0.00 177.39 180.17 3ijr n LYS 43 N -0.38 2.08 -0.80 3.23 3.00 -0.82 -1.53 118.16 122.93 3ijr n LYS 43 Ca 0.15 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 59.21 3ijr n LYS 43 Cb 0.91 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 33.26 3ijr n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ijr n GLY 44 N 4.69 1.01 3.78 3.14 0.00 -0.45 -4.94 105.19 112.42 3ijr n GLY 44 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.15 4.32 -0.25 1.61 -0.14 -0.58 -4.84 119.74 119.71 3ijr s LYS 45 Ca 0.00 1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 56.07 3ijr s LYS 45 Cb 0.00 -2.70 -0.02 0.00 -1.68 0.00 0.00 37.83 33.43 3ijr s LYS 45 CO 0.00 -0.01 0.05 -0.80 -0.76 0.00 0.00 175.35 173.84 3ijr s ASN 46 N -1.45 5.01 0.01 2.83 0.01 -1.26 -0.75 114.94 119.33 3ijr s ASN 46 Ca 0.54 -0.28 0.07 0.00 -0.71 0.00 0.00 52.86 52.49 3ijr s ASN 46 Cb -0.23 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 3ijr s ASN 46 CO 0.29 -0.05 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.92 3ijr s VAL 47 N 1.59 2.38 -0.17 1.60 1.01 -0.44 -0.23 120.40 126.13 3ijr s VAL 47 Ca 0.06 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 3ijr s VAL 47 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3ijr s VAL 47 CO 0.02 0.47 -0.15 -0.22 0.00 0.00 0.00 175.10 175.23 3ijr s LEU 48 N -0.97 2.43 -0.16 3.92 2.96 -0.13 -0.64 118.68 126.08 3ijr s LEU 48 Ca 0.12 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3ijr s LEU 48 Cb -0.10 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.05 3ijr s LEU 48 CO 0.01 0.04 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.40 3ijr s ILE 49 N 1.08 1.82 -0.14 6.68 2.07 -0.12 -0.53 121.20 132.05 3ijr s ILE 49 Ca -0.00 -0.79 -0.23 0.00 -1.41 0.00 0.00 60.65 58.21 3ijr s ILE 49 Cb -0.14 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.75 3ijr s ILE 49 CO -0.05 0.50 0.71 0.42 -1.91 0.00 0.00 174.94 174.62 3ijr s THR 50 N 1.34 4.99 0.00 4.00 -4.23 -0.55 -1.28 115.64 119.92 3ijr s THR 50 Ca 0.04 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 3ijr s THR 50 Cb -0.13 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.67 3ijr s THR 50 CO -0.11 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3ijr n GLY 51 N 3.41 0.43 0.47 3.99 0.00 0.13 -2.33 105.19 111.30 3ijr n GLY 51 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.98 0.16 0.10 -0.02 0.00 -1.13 -3.97 105.19 99.36 3ijr n GLY 52 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 3ijr n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ijr h ASP 53 N 1.64 0.00 -3.52 1.61 2.03 -1.82 -3.07 116.42 113.29 3ijr h ASP 53 Ca 0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 3ijr h ASP 53 Cb 0.37 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.82 3ijr h ASP 53 CO 0.00 0.68 -0.06 -1.54 -1.03 0.00 0.00 179.24 177.29 3ijr n SER 54 N -3.15 -1.33 0.00 4.15 3.41 -1.26 -4.14 113.62 111.29 3ijr n SER 54 Ca -0.03 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 3ijr n SER 54 Cb 0.84 2.42 0.00 0.00 -0.26 0.00 0.00 64.21 67.21 3ijr n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ijr n GLY 55 N -0.50 2.43 0.32 5.00 0.00 -1.26 -1.23 105.19 109.95 3ijr n GLY 55 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 1.06 -0.93 -0.61 2.04 -1.89 -2.64 117.51 114.54 3ijr h ILE 56 Ca 0.00 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3ijr h ILE 56 Cb 0.00 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 3ijr h ILE 56 CO 0.00 0.18 0.61 1.23 0.00 0.00 0.00 178.15 180.17 3ijr h GLY 57 N 0.99 1.32 0.94 5.37 0.00 -1.55 0.12 103.07 110.26 3ijr h GLY 57 Ca 0.37 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3ijr h GLY 57 CO -0.17 0.44 0.14 -0.09 0.00 0.00 0.00 176.54 176.86 3ijr h ARG 58 N 1.21 0.59 -0.67 4.80 2.43 -0.82 0.31 114.38 122.23 3ijr h ARG 58 Ca 0.35 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3ijr h ARG 58 Cb -0.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3ijr h ARG 58 CO -0.09 0.58 0.17 0.00 -1.51 0.00 0.00 179.97 179.12 3ijr h ALA 59 N 0.98 0.88 -0.19 2.80 0.00 -1.10 -1.99 119.26 120.64 3ijr h ALA 59 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ijr h ALA 59 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ijr h ALA 59 CO -0.01 0.60 0.04 0.28 0.00 0.00 0.00 179.25 180.17 3ijr h VAL 60 N 1.00 1.21 -0.43 0.00 2.07 -0.63 -1.21 116.25 118.26 3ijr h VAL 60 Ca 0.21 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.13 3ijr h VAL 60 Cb 0.36 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3ijr h VAL 60 CO 0.00 0.21 0.04 0.28 0.02 0.00 0.00 177.57 178.12 3ijr h SER 61 N 0.12 -0.09 -0.33 0.57 0.02 -0.81 -0.05 113.55 112.98 3ijr h SER 61 Ca 0.06 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3ijr h SER 61 Cb 0.28 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3ijr h SER 61 CO 0.00 -0.01 0.02 0.40 -1.14 0.00 0.00 176.83 176.10 3ijr h ILE 62 N 0.16 1.25 -0.72 3.27 2.04 -1.28 -0.76 117.51 121.47 3ijr h ILE 62 Ca 0.21 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 3ijr h ILE 62 Cb 0.29 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3ijr h ILE 62 CO -0.31 0.30 0.18 0.00 0.00 0.00 0.00 178.15 178.32 3ijr h ALA 63 N 0.86 0.95 -0.61 1.87 0.00 -0.97 -1.13 119.26 120.23 3ijr h ALA 63 Ca 0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ijr h ALA 63 Cb 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ijr h ALA 63 CO 0.01 0.67 0.14 0.74 0.00 0.00 0.00 179.25 180.81 3ijr h PHE 64 N 1.09 1.01 -0.54 0.00 -1.00 -0.88 -1.35 116.94 115.26 3ijr h PHE 64 Ca 0.23 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.86 3ijr h PHE 64 Cb 0.37 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3ijr h PHE 64 CO 0.03 0.84 0.20 0.00 -1.61 0.00 0.00 178.31 177.76 3ijr h ALA 65 N 1.22 0.70 0.00 2.45 0.00 -0.74 -0.27 119.26 122.62 3ijr h ALA 65 Ca 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ijr h ALA 65 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ijr h ALA 65 CO 0.00 0.33 -0.12 0.87 0.00 0.00 0.00 179.25 180.34 3ijr h LYS 66 N 0.74 0.00 -0.32 0.00 1.57 -0.69 -0.15 116.57 117.72 3ijr h LYS 66 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ijr h LYS 66 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ijr h LYS 66 CO -0.01 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 179.38 3ijr n GLU 67 N -3.87 1.75 -0.64 3.15 -0.58 -0.56 -4.37 120.64 115.52 3ijr n GLU 67 Ca -0.02 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 3ijr n GLU 67 Cb 0.22 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.00 0.66 3.87 0.62 0.00 -0.07 -1.10 105.19 110.18 3ijr n GLY 68 Ca 0.11 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.49 -0.06 4.61 0.00 -0.18 -1.34 121.76 126.27 3ijr s ALA 69 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.56 3ijr s ALA 69 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 3ijr s ALA 69 CO 0.00 0.39 0.55 -0.80 0.00 0.00 0.00 175.76 175.90 3ijr s ASN 70 N -2.48 6.84 -0.14 0.00 0.01 0.07 -4.18 114.94 115.05 3ijr s ASN 70 Ca 0.49 1.00 0.02 0.00 -0.71 0.00 0.00 52.86 53.66 3ijr s ASN 70 Cb -0.11 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.23 3ijr s ASN 70 CO 0.22 0.04 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.01 3ijr s ILE 71 N 0.24 2.10 -0.24 0.60 -1.09 0.37 -1.33 121.20 121.86 3ijr s ILE 71 Ca 0.29 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.67 3ijr s ILE 71 Cb -0.17 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 3ijr s ILE 71 CO 0.14 0.55 0.11 0.00 -1.23 0.00 0.00 174.94 174.51 3ijr s ALA 72 N 0.86 3.38 -0.24 9.38 0.00 0.19 -0.52 121.76 134.81 3ijr s ALA 72 Ca -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3ijr s ALA 72 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3ijr s ALA 72 CO -0.03 -0.26 -0.07 0.42 0.00 0.00 0.00 175.76 175.82 3ijr s ILE 73 N 1.20 2.92 -0.00 0.00 1.01 0.15 -0.95 121.20 125.52 3ijr s ILE 73 Ca 0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3ijr s ILE 73 Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3ijr s ILE 73 CO 0.05 0.27 0.16 0.00 0.00 0.00 0.00 174.94 175.42 3ijr s ALA 74 N 1.35 3.89 0.20 9.38 0.00 -0.40 -0.15 121.76 136.03 3ijr s ALA 74 Ca 0.02 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 3ijr s ALA 74 Cb -0.16 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.20 3ijr s ALA 74 CO -0.05 0.74 0.91 1.52 0.00 0.00 0.00 175.76 178.89 3ijr s TYR 75 N -1.31 -0.10 -0.00 0.00 -0.85 -1.08 0.22 117.35 114.23 3ijr s TYR 75 Ca 0.27 -0.28 -0.00 0.00 -0.52 0.00 0.00 57.07 56.54 3ijr s TYR 75 Cb -0.13 0.67 -0.00 0.00 0.38 0.00 0.00 41.96 42.89 3ijr s TYR 75 CO 0.18 -0.97 0.11 1.25 -1.52 0.00 0.00 175.55 174.60 3ijr h LEU 76 N 2.00 -0.00 -0.77 -3.49 5.85 -1.89 -0.16 115.31 116.85 3ijr h LEU 76 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ijr h LEU 76 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3ijr h LEU 76 CO 0.27 0.00 -0.01 -0.90 -0.34 0.00 0.00 178.44 177.47 3ijr n ASP 77 N -2.02 0.00 -3.93 1.25 5.68 -1.26 -1.73 116.55 114.54 3ijr n ASP 77 Ca -0.00 -1.02 -0.42 0.00 -0.50 0.00 0.00 54.79 52.85 3ijr n ASP 77 Cb 0.00 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 3.09 -0.24 0.11 4.71 -1.26 -4.77 120.64 122.28 3ijr n GLU 78 Ca 0.00 -2.96 -0.03 0.00 -0.01 0.00 0.00 57.16 54.16 3ijr n GLU 78 Cb 0.50 -3.24 0.08 0.00 -1.01 0.00 0.00 31.44 27.78 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 6.25 0.79 -0.22 3.49 4.39 -1.98 -0.83 114.58 126.48 3ijr h GLU 79 Ca 0.50 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3ijr h GLU 79 Cb 0.69 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3ijr h GLU 79 CO 1.74 0.53 0.14 0.78 -1.16 0.00 0.00 179.01 181.04 3ijr h GLY 80 N 0.82 0.31 1.00 -3.84 0.00 -1.99 -0.06 103.07 99.31 3ijr h GLY 80 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3ijr h GLY 80 CO -0.12 0.12 0.29 -0.55 0.00 0.00 0.00 176.54 176.27 3ijr h ASP 81 N 0.30 0.83 -0.54 0.19 3.32 -1.79 -1.35 116.42 117.37 3ijr h ASP 81 Ca 0.08 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3ijr h ASP 81 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3ijr h ASP 81 CO -0.02 0.74 0.18 0.00 -1.72 0.00 0.00 179.24 178.42 3ijr h ALA 82 N 1.12 0.71 -0.68 3.45 0.00 -0.92 -0.86 119.26 122.07 3ijr h ALA 82 Ca 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ijr h ALA 82 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ijr h ALA 82 CO -0.02 0.35 0.31 -0.97 0.00 0.00 0.00 179.25 178.91 3ijr h ASN 83 N 0.74 0.91 -0.67 0.00 -1.24 -0.82 -0.54 115.58 113.97 3ijr h ASN 83 Ca 0.18 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 3ijr h ASN 83 Cb 0.26 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 3ijr h ASN 83 CO -0.01 0.81 0.24 -0.08 -1.29 0.00 0.00 177.43 177.10 3ijr h GLU 84 N 0.95 1.01 -0.77 6.67 4.81 -0.84 -1.89 114.58 124.53 3ijr h GLU 84 Ca 0.23 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3ijr h GLU 84 Cb 0.16 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3ijr h GLU 84 CO -0.03 0.86 0.32 1.15 -0.73 0.00 0.00 179.01 180.59 3ijr h THR 85 N 0.95 1.25 -0.68 0.32 2.02 -0.91 -2.87 112.91 113.00 3ijr h THR 85 Ca 0.22 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.67 3ijr h THR 85 Cb 0.25 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 3ijr h THR 85 CO -0.01 0.32 0.39 0.50 0.37 0.00 0.00 175.52 177.09 3ijr h LYS 86 N 1.11 0.71 -0.52 6.66 3.64 -0.54 -1.39 116.57 126.24 3ijr h LYS 86 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3ijr h LYS 86 Cb 0.19 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3ijr h LYS 86 CO -0.02 0.47 0.33 1.96 -2.27 0.00 0.00 179.45 179.92 3ijr h GLN 87 N 0.73 0.69 -0.65 1.90 1.08 -1.15 -0.79 115.11 116.93 3ijr h GLN 87 Ca 0.30 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 3ijr h GLN 87 Cb 0.15 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3ijr h GLN 87 CO -0.17 0.47 0.28 1.88 -0.95 0.00 0.00 178.83 180.34 3ijr h TYR 88 N 0.70 0.97 -0.30 2.96 0.05 -1.25 -1.71 116.97 118.38 3ijr h TYR 88 Ca 0.19 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 3ijr h TYR 88 Cb -0.06 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 3ijr h TYR 88 CO -0.03 0.75 0.12 0.28 -1.05 0.00 0.00 178.16 178.22 3ijr h VAL 89 N 0.90 1.18 0.00 -2.88 2.07 -0.91 -3.00 116.25 113.61 3ijr h VAL 89 Ca 0.22 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3ijr h VAL 89 Cb 0.18 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3ijr h VAL 89 CO -0.02 0.20 -0.49 -0.33 0.02 0.00 0.00 177.57 176.95 3ijr h GLU 90 N 0.34 0.00 -0.50 1.57 5.08 -1.06 -1.30 114.58 118.71 3ijr h GLU 90 Ca 0.10 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 3ijr h GLU 90 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ijr h GLU 90 CO -0.01 0.49 0.43 -0.22 -1.00 0.00 0.00 179.01 178.70 3ijr h LYS 91 N 0.00 0.00 -0.09 2.33 3.64 -1.16 0.40 116.57 121.70 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 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3ijr h LYS 91 CO 0.06 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.63 3ijr n GLU 92 N -4.04 1.40 -0.97 1.90 -0.58 -0.49 -4.91 120.64 112.95 3ijr n GLU 92 Ca 0.09 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 3ijr n GLU 92 Cb 0.64 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.99 0.56 3.99 0.62 0.00 0.13 -4.93 105.19 106.54 3ijr n GLY 93 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.19 3.34 0.33 1.61 -7.23 -1.26 -5.07 120.40 109.94 3ijr s VAL 94 Ca 0.00 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.87 3ijr s VAL 94 Cb 0.00 -3.14 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 3ijr s VAL 94 CO 0.00 -0.06 0.97 -0.54 -0.31 0.00 0.00 175.10 175.17 3ijr s LYS 95 N -4.26 4.53 -0.03 4.82 1.02 -1.26 -4.43 119.74 120.12 3ijr s LYS 95 Ca 0.51 1.40 0.01 0.00 0.02 0.00 0.00 55.97 57.91 3ijr s LYS 95 Cb -0.09 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3ijr s LYS 95 CO 0.32 0.21 -0.03 0.00 -0.92 0.00 0.00 175.35 174.93 3ijr s VAL 97 N 0.76 1.67 -0.17 0.00 1.01 0.32 -4.99 120.40 119.00 3ijr s VAL 97 Ca -0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 3ijr s VAL 97 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3ijr s VAL 97 CO -0.00 0.47 0.10 -0.76 0.00 0.00 0.00 175.10 174.91 3ijr s LEU 98 N 0.48 4.04 -0.48 3.92 1.43 -1.26 0.30 118.68 127.10 3ijr s LEU 98 Ca -0.17 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3ijr s LEU 98 Cb -0.17 -2.02 0.16 0.00 0.03 0.00 0.00 46.19 44.20 3ijr s LEU 98 CO 0.07 0.23 0.36 -0.76 0.23 0.00 0.00 176.35 176.47 3ijr s LEU 99 N 0.06 2.30 0.70 1.79 1.43 0.79 -4.94 118.68 120.81 3ijr s LEU 99 Ca 0.07 -3.15 -0.12 0.00 -1.03 0.00 0.00 54.13 49.90 3ijr s LEU 99 Cb -0.12 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.35 3ijr s LEU 99 CO 0.00 -0.17 1.08 -2.16 0.23 0.00 0.00 176.35 175.33 3ijr s PRO 100 N -0.20 2.77 0.00 1.29 0.04 -1.26 -2.65 135.00 135.00 3ijr s PRO 100 Ca 0.28 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3ijr s PRO 100 Cb -0.03 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3ijr s PRO 100 CO -0.16 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.05 3ijr n GLY 101 N -1.35 3.92 3.52 0.56 0.00 -0.07 -4.88 105.19 106.90 3ijr n GLY 101 Ca 0.09 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.05 116.67 118.25 3ijr s ASP 102 Ca 0.00 -0.30 0.20 0.00 -0.52 0.00 0.00 52.55 51.92 3ijr s ASP 102 Cb 0.00 -2.40 1.18 0.00 -1.46 0.00 0.00 42.92 40.25 3ijr s ASP 102 CO 0.00 -1.05 1.65 0.18 0.52 0.00 0.00 175.17 176.46 3ijr n LEU 103 N 6.99 0.00 0.00 -1.34 4.77 -1.26 -2.38 117.00 123.78 3ijr n LEU 103 Ca 0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 3ijr n LEU 103 Cb 0.48 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.15 3ijr n LEU 103 CO 0.61 0.00 0.92 -1.54 -1.33 0.00 0.00 177.39 176.04 3ijr n SER 104 N -0.88 0.00 -4.60 -1.43 3.41 -1.26 -4.50 113.62 104.35 3ijr n SER 104 Ca 0.15 0.28 -0.39 0.00 -0.26 0.00 0.00 58.87 58.65 3ijr n SER 104 Cb 0.07 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.84 6.16 0.20 4.04 2.15 -1.00 -4.90 116.67 120.48 3ijr s ASP 105 Ca 0.17 0.17 -0.11 0.00 0.43 0.00 0.00 52.55 53.22 3ijr s ASP 105 Cb 0.17 -2.17 0.27 0.00 -0.30 0.00 0.00 42.92 40.88 3ijr s ASP 105 CO 0.44 -0.12 1.70 -0.08 -0.17 0.00 0.00 175.17 176.94 3ijr h GLU 106 N 8.19 0.22 -0.62 4.34 4.81 -1.89 -2.07 114.58 127.56 3ijr h GLU 106 Ca -0.33 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 3ijr h GLU 106 Cb 1.17 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3ijr h GLU 106 CO 0.61 0.15 0.31 0.37 -0.73 0.00 0.00 179.01 179.72 3ijr h GLN 107 N 0.23 0.89 -0.71 1.92 5.75 -1.95 -1.75 115.11 119.49 3ijr h GLN 107 Ca 0.30 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3ijr h GLN 107 Cb 0.44 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 3ijr h GLN 107 CO -0.40 0.71 0.47 1.25 -2.65 0.00 0.00 178.83 178.21 3ijr h HIS 108 N 0.85 0.89 -0.96 3.99 2.76 -1.70 0.14 115.15 121.12 3ijr h HIS 108 Ca 0.22 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3ijr h HIS 108 Cb 0.10 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.72 3ijr h HIS 108 CO -0.00 0.55 0.61 0.00 -1.30 0.00 0.00 177.93 177.79 3ijr h LYS 110 N 1.32 0.90 -0.72 0.00 1.57 -0.60 -3.26 116.57 115.78 3ijr h LYS 110 Ca 0.35 -0.45 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3ijr h LYS 110 Cb -0.11 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3ijr h LYS 110 CO -0.07 1.10 0.28 -0.44 -0.57 0.00 0.00 179.45 179.75 3ijr h ASP 111 N 0.71 0.99 -0.05 0.86 3.32 -0.23 -2.03 116.42 119.97 3ijr h ASP 111 Ca 0.07 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3ijr h ASP 111 Cb 0.91 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ijr h ASP 111 CO 0.08 0.88 -0.13 0.16 -1.72 0.00 0.00 179.24 178.51 3ijr h ILE 112 N 1.05 1.21 0.02 0.35 3.07 -1.31 0.72 117.51 122.62 3ijr h ILE 112 Ca 0.24 -0.94 -0.00 0.00 1.55 0.00 0.00 64.86 65.71 3ijr h ILE 112 Cb 0.21 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 3ijr h ILE 112 CO -0.02 0.30 -0.01 0.58 -1.05 0.00 0.00 178.15 177.95 3ijr h VAL 113 N 0.35 1.31 -0.75 0.16 2.07 -1.54 -1.10 116.25 116.76 3ijr h VAL 113 Ca 0.07 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.62 3ijr h VAL 113 Cb 0.45 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 3ijr h VAL 113 CO 0.03 0.26 0.44 -0.61 0.02 0.00 0.00 177.57 177.71 3ijr h GLN 114 N -0.47 0.79 -0.11 1.57 4.15 -1.10 -1.83 115.11 118.11 3ijr h GLN 114 Ca -0.00 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 3ijr h GLN 114 Cb 0.45 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3ijr h GLN 114 CO 0.00 0.52 -0.52 1.49 -1.93 0.00 0.00 178.83 178.40 3ijr h GLU 115 N 0.82 0.31 -0.30 1.69 4.81 -0.85 -1.50 114.58 119.57 3ijr h GLU 115 Ca 0.33 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ijr h GLU 115 Cb 0.17 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3ijr h GLU 115 CO -0.17 0.76 0.11 1.15 -0.73 0.00 0.00 179.01 180.13 3ijr h THR 116 N 0.25 1.18 -0.22 0.32 2.02 -0.60 -0.78 112.91 115.07 3ijr h THR 116 Ca 0.01 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3ijr h THR 116 Cb 1.00 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3ijr h THR 116 CO 0.08 0.19 -0.15 0.58 0.37 0.00 0.00 175.52 176.59 3ijr h VAL 117 N 0.33 1.22 -0.17 3.16 2.07 -1.19 0.24 116.25 121.90 3ijr h VAL 117 Ca 0.10 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 3ijr h VAL 117 Cb 0.19 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3ijr h VAL 117 CO -0.01 0.31 -0.20 -0.09 0.02 0.00 0.00 177.57 177.60 3ijr h ARG 118 N 0.35 0.44 -0.03 1.57 2.43 -0.97 0.28 114.38 118.44 3ijr h ARG 118 Ca 0.06 -0.24 -0.25 0.00 -0.81 0.00 0.00 59.98 58.74 3ijr h ARG 118 Cb 0.48 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3ijr h ARG 118 CO 0.03 0.82 -0.96 1.96 -1.51 0.00 0.00 179.97 180.31 3ijr h GLN 119 N 0.08 0.71 0.00 0.20 1.08 -0.86 -3.36 115.11 112.96 3ijr h GLN 119 Ca 0.02 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 3ijr h GLN 119 Cb 0.75 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 3ijr h GLN 119 CO 0.05 1.30 -1.39 1.28 -0.95 0.00 0.00 178.83 179.12 3ijr n LEU 120 N -3.90 0.51 0.00 1.46 4.77 0.82 -4.98 117.00 115.67 3ijr n LEU 120 Ca -0.10 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3ijr n LEU 120 Cb 0.84 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3ijr n LEU 120 CO 0.55 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3ijr n GLY 121 N 1.22 2.54 3.81 -0.72 0.00 0.09 -4.98 105.19 107.14 3ijr n GLY 121 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.58 -0.11 -0.07 1.61 1.04 -1.23 -4.88 113.70 110.64 3ijr s SER 122 Ca 0.00 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.85 3ijr s SER 122 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3ijr s SER 122 CO 0.00 -1.08 -0.12 -0.22 0.98 0.00 0.00 173.24 172.80 3ijr s LEU 123 N -3.09 1.61 -0.09 2.42 2.96 -1.26 -4.57 118.68 116.66 3ijr s LEU 123 Ca 0.15 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3ijr s LEU 123 Cb -0.03 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.74 3ijr s LEU 123 CO 0.05 0.02 -0.07 0.59 -1.32 0.00 0.00 176.35 175.62 3ijr n ASN 124 N 3.96 3.32 -3.87 3.68 5.03 0.68 -4.53 115.26 123.53 3ijr n ASN 124 Ca -0.21 -0.04 -0.22 0.00 0.87 0.00 0.00 54.58 54.97 3ijr n ASN 124 Cb 0.51 -0.06 -0.17 0.00 -1.02 0.00 0.00 39.78 39.05 3ijr n ASN 124 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ijr s ILE 125 N -2.17 0.62 -0.19 2.41 1.01 -0.67 -1.17 121.20 121.04 3ijr s ILE 125 Ca -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 3ijr s ILE 125 Cb 0.03 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 3ijr s ILE 125 CO 0.21 0.27 -0.04 -0.22 0.00 0.00 0.00 174.94 175.16 3ijr s LEU 126 N 1.35 3.02 -0.30 2.97 2.96 -0.50 -0.96 118.68 127.23 3ijr s LEU 126 Ca -0.04 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3ijr s LEU 126 Cb -0.14 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.85 3ijr s LEU 126 CO -0.03 0.05 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.36 3ijr s VAL 127 N 1.05 2.96 -0.29 1.68 1.01 0.30 -0.51 120.40 126.61 3ijr s VAL 127 Ca 0.01 -1.40 -0.21 0.00 0.00 0.00 0.00 61.98 60.38 3ijr s VAL 127 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3ijr s VAL 127 CO 0.00 -0.11 0.67 0.20 0.00 0.00 0.00 175.10 175.86 3ijr s ASN 128 N 1.25 6.56 0.00 3.32 0.01 -0.08 -1.48 114.94 124.52 3ijr s ASN 128 Ca -0.05 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.66 3ijr s ASN 128 Cb -0.20 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3ijr s ASN 128 CO -0.01 -0.48 0.00 -3.20 -1.51 0.00 0.00 177.10 171.90 3ijr n ASN 129 N 5.90 0.00 -4.74 -1.22 2.85 -1.09 -0.30 115.26 116.65 3ijr n ASN 129 Ca 0.00 -0.33 -0.37 0.00 -0.11 0.00 0.00 54.58 53.77 3ijr n ASN 129 Cb 0.49 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.57 3ijr n ASN 129 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3ijr s VAL 130 N 0.00 2.19 -0.11 3.44 1.01 -0.98 -4.78 120.40 121.16 3ijr s VAL 130 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3ijr s VAL 130 Cb 0.00 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.48 3ijr s VAL 130 CO 0.00 -0.03 0.99 0.00 0.00 0.00 0.00 175.10 176.06 3ijr s ALA 131 N -1.48 -1.91 0.06 5.51 0.00 -1.26 -4.71 121.76 117.97 3ijr s ALA 131 Ca 0.81 1.40 0.04 0.00 0.00 0.00 0.00 51.96 54.20 3ijr s ALA 131 Cb -0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3ijr s ALA 131 CO 0.38 -0.47 -0.11 -0.65 0.00 0.00 0.00 175.76 174.92 3ijr s GLN 132 N -1.94 0.69 -0.07 0.00 -0.21 -1.26 -5.00 119.66 111.87 3ijr s GLN 132 Ca 0.02 -0.90 -0.05 0.00 0.02 0.00 0.00 55.36 54.45 3ijr s GLN 132 Cb -0.01 -0.53 0.03 0.00 1.00 0.00 0.00 33.01 33.50 3ijr s GLN 132 CO -0.03 0.10 0.17 1.14 -2.12 0.00 0.00 175.29 174.56 3ijr s GLN 133 N -1.85 0.16 -0.47 2.91 -2.07 -1.26 -4.91 119.66 112.17 3ijr s GLN 133 Ca -0.04 0.32 0.03 0.00 -1.82 0.00 0.00 55.36 53.84 3ijr s GLN 133 Cb -0.09 -0.02 0.14 0.00 -1.09 0.00 0.00 33.01 31.96 3ijr s GLN 133 CO 0.01 -0.09 0.28 0.71 -1.32 0.00 0.00 175.29 174.89 3ijr s TYR 134 N 0.59 2.14 0.62 9.60 2.02 -1.26 -4.77 117.35 126.29 3ijr s TYR 134 Ca -0.04 -2.56 -0.19 0.00 -0.37 0.00 0.00 57.07 53.91 3ijr s TYR 134 Cb -0.06 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 3ijr s TYR 134 CO -0.03 -0.76 1.18 -0.35 -1.57 0.00 0.00 175.55 174.03 3ijr n PRO 135 N 3.25 1.10 -3.78 -1.71 -0.05 -1.26 -4.92 135.00 127.63 3ijr n PRO 135 Ca 0.12 0.43 -0.13 0.00 -0.05 0.00 0.00 63.50 63.87 3ijr n PRO 135 Cb 0.36 -2.41 -0.09 0.00 -0.05 0.00 0.00 33.50 31.31 3ijr n PRO 135 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 3ijr s GLN 136 N -3.09 0.59 0.21 0.54 -1.52 -0.38 -5.04 119.66 110.97 3ijr s GLN 136 Ca 0.79 -0.12 0.22 0.00 -1.95 0.00 0.00 55.36 54.31 3ijr s GLN 136 Cb -0.40 0.26 0.92 0.00 -0.22 0.00 0.00 33.01 33.57 3ijr s GLN 136 CO 0.44 -0.15 1.67 0.00 -0.25 0.00 0.00 175.29 177.00 3ijr n GLN 137 N 1.58 0.16 -3.66 2.91 10.64 -1.26 -4.38 117.38 123.38 3ijr n GLN 137 Ca -0.20 0.38 -0.00 0.00 -1.83 0.00 0.00 57.00 55.35 3ijr n GLN 137 Cb 0.56 -1.81 -0.01 0.00 -0.86 0.00 0.00 30.24 28.13 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 -3.45 -0.36 0.31 2.61 0.00 -1.26 -4.88 107.32 100.28 3ijr s GLY 138 Ca 0.05 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.36 3ijr s GLY 138 CO 0.38 0.11 1.88 -2.00 0.00 0.00 0.00 173.10 173.46 3ijr h LEU 139 N 2.00 0.86 -2.58 0.66 5.85 -1.89 -1.10 115.31 119.11 3ijr h LEU 139 Ca -0.28 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3ijr h LEU 139 Cb 1.21 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3ijr h LEU 139 CO 0.27 0.50 0.00 -0.33 -0.34 0.00 0.00 178.44 178.54 3ijr h GLU 140 N 0.95 0.00 -0.56 1.25 5.08 -2.00 -1.74 114.58 117.56 3ijr h GLU 140 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3ijr h GLU 140 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ijr h GLU 140 CO -0.20 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.47 3ijr n TYR 141 N -2.98 0.78 -3.56 4.33 4.02 -0.42 -4.80 117.16 114.52 3ijr n TYR 141 Ca -0.02 -0.38 -0.41 0.00 -0.01 0.00 0.00 57.90 57.08 3ijr n TYR 141 Cb 0.10 -0.02 -0.11 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.30 4.74 0.62 -0.72 1.01 -0.66 -4.95 121.20 119.94 3ijr s ILE 142 Ca 0.37 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3ijr s ILE 142 Cb 0.20 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 3ijr s ILE 142 CO 0.25 -0.26 1.03 0.42 0.00 0.00 0.00 174.94 176.38 3ijr s THR 143 N 1.58 4.59 0.41 2.92 -4.23 -1.26 -4.90 115.64 114.76 3ijr s THR 143 Ca 0.03 0.88 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 3ijr s THR 143 Cb -0.19 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.12 3ijr s THR 143 CO 0.07 -1.06 2.05 0.00 -0.54 0.00 0.00 174.62 175.14 3ijr h ALA 144 N -0.26 1.69 -0.06 3.99 0.00 -1.98 -0.65 119.26 121.99 3ijr h ALA 144 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ijr h ALA 144 Cb 1.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ijr h ALA 144 CO 0.61 0.28 0.03 1.49 0.00 0.00 0.00 179.25 181.66 3ijr h GLU 145 N 0.56 0.08 -0.54 0.00 4.81 -1.99 0.17 114.58 117.67 3ijr h GLU 145 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3ijr h GLU 145 Cb -0.05 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3ijr h GLU 145 CO -0.03 0.15 0.21 0.37 -0.73 0.00 0.00 179.01 178.97 3ijr h GLN 146 N -0.00 0.82 -0.27 1.92 4.15 -1.78 -1.00 115.11 118.95 3ijr h GLN 146 Ca 0.02 -0.16 0.03 0.00 0.77 0.00 0.00 58.65 59.32 3ijr h GLN 146 Cb 0.09 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3ijr h GLN 146 CO -0.00 0.72 0.07 1.25 -1.93 0.00 0.00 178.83 178.94 3ijr h LEU 147 N 0.74 0.06 -0.52 -2.39 5.85 -0.83 0.49 115.31 118.71 3ijr h LEU 147 Ca 0.18 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 3ijr h LEU 147 Cb 0.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3ijr h LEU 147 CO -0.01 0.07 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.55 3ijr h GLU 148 N 0.18 0.91 -0.36 1.25 5.08 -0.84 -2.05 114.58 118.75 3ijr h GLU 148 Ca 0.12 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3ijr h GLU 148 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3ijr h GLU 148 CO -0.14 1.07 0.22 -0.22 -1.00 0.00 0.00 179.01 178.94 3ijr h LYS 149 N 0.77 0.49 -0.38 2.33 3.64 -0.89 0.73 116.57 123.25 3ijr h LYS 149 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ijr h LYS 149 Cb 0.85 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3ijr h LYS 149 CO 0.07 0.35 0.23 1.15 -2.27 0.00 0.00 179.45 178.99 3ijr h THR 150 N 0.48 1.13 -0.43 1.00 2.02 -0.77 -2.70 112.91 113.64 3ijr h THR 150 Ca 0.13 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.88 3ijr h THR 150 Cb -0.01 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3ijr h THR 150 CO -0.03 0.13 -0.26 -0.26 0.37 0.00 0.00 175.52 175.48 3ijr h PHE 151 N 0.50 1.08 -0.67 3.16 -1.00 -1.20 -0.95 116.94 117.86 3ijr h PHE 151 Ca 0.14 -0.28 0.04 0.00 2.81 0.00 0.00 57.97 60.67 3ijr h PHE 151 Cb 0.01 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 3ijr h PHE 151 CO -0.03 1.10 0.41 -0.09 -1.61 0.00 0.00 178.31 178.08 3ijr h ARG 152 N 0.76 0.77 0.17 1.51 2.43 -0.68 -0.66 114.38 118.69 3ijr h ARG 152 Ca 0.09 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 58.88 3ijr h ARG 152 Cb 0.84 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3ijr h ARG 152 CO 0.07 0.51 -1.67 0.97 -1.51 0.00 0.00 179.97 178.35 3ijr h ILE 153 N 0.80 0.97 -0.04 1.20 6.09 -1.50 -1.99 117.51 123.03 3ijr h ILE 153 Ca 0.28 -2.49 -0.18 0.00 -1.37 0.00 0.00 64.86 61.10 3ijr h ILE 153 Cb 0.05 2.77 -0.01 0.00 0.47 0.00 0.00 36.82 40.10 3ijr h ILE 153 CO -0.12 0.83 -0.75 0.78 -3.07 0.00 0.00 178.15 175.81 3ijr h ASN 154 N 0.02 0.35 0.00 2.19 4.21 -1.10 -3.35 115.58 117.90 3ijr h ASN 154 Ca -0.33 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 56.94 3ijr h ASN 154 Cb 2.03 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 39.12 3ijr h ASN 154 CO 0.16 0.98 -0.67 0.00 -1.29 0.00 0.00 177.43 176.60 3ijr n ILE 155 N -3.78 0.00 -0.37 2.81 0.13 -0.50 -4.60 119.36 113.05 3ijr n ILE 155 Ca -0.04 0.00 -0.00 0.00 -1.10 0.00 0.00 62.75 61.61 3ijr n ILE 155 Cb 0.72 -0.39 0.14 0.00 -0.84 0.00 0.00 39.64 39.27 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 1.23 -0.53 9.51 0.04 -1.16 -1.66 116.94 124.37 3ijr h PHE 156 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3ijr h PHE 156 Cb 0.67 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3ijr h PHE 156 CO 0.00 0.73 0.22 0.66 -0.60 0.00 0.00 178.31 179.32 3ijr h SER 157 N 1.29 0.69 -0.70 2.17 4.64 -1.49 -0.79 113.55 119.36 3ijr h SER 157 Ca 0.39 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 3ijr h SER 157 Cb -0.04 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 3ijr h SER 157 CO -0.11 0.61 0.29 1.88 -0.87 0.00 0.00 176.83 178.63 3ijr h TYR 158 N 0.75 1.05 0.09 4.77 -1.99 -1.56 0.46 116.97 120.54 3ijr h TYR 158 Ca 0.18 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 3ijr h TYR 158 Cb 0.14 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.55 3ijr h TYR 158 CO 0.01 0.81 -0.04 0.74 -0.00 0.00 0.00 178.16 179.68 3ijr h PHE 159 N 0.99 -0.12 -0.20 4.88 0.04 -0.70 -2.19 116.94 119.65 3ijr h PHE 159 Ca 0.23 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 3ijr h PHE 159 Cb 0.20 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3ijr h PHE 159 CO 0.01 0.01 -0.10 0.45 -0.60 0.00 0.00 178.31 178.09 3ijr h HIS 160 N -0.22 0.47 -0.37 -0.55 3.86 -0.97 0.18 115.15 117.57 3ijr h HIS 160 Ca -0.01 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3ijr h HIS 160 Cb 0.18 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3ijr h HIS 160 CO -0.04 0.71 0.20 0.28 0.86 0.00 0.00 177.93 179.93 3ijr h VAL 161 N 0.10 1.15 -0.50 2.45 2.07 -1.02 -2.09 116.25 118.42 3ijr h VAL 161 Ca 0.04 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3ijr h VAL 161 Cb 0.58 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ijr h VAL 161 CO 0.03 0.15 0.11 0.74 0.02 0.00 0.00 177.57 178.62 3ijr h THR 162 N 0.47 1.24 -0.56 2.57 2.02 -1.33 -1.53 112.91 115.80 3ijr h THR 162 Ca 0.13 -0.87 0.08 0.00 0.77 0.00 0.00 66.41 66.52 3ijr h THR 162 Cb 0.07 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 3ijr h THR 162 CO -0.02 0.31 0.22 0.50 0.37 0.00 0.00 175.52 176.90 3ijr h LYS 163 N 0.68 0.39 -0.04 6.66 3.64 -0.88 -0.77 116.57 126.26 3ijr h LYS 163 Ca 0.15 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3ijr h LYS 163 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3ijr h LYS 163 CO 0.00 0.26 -0.46 0.00 -2.27 0.00 0.00 179.45 176.98 3ijr h ALA 164 N 1.37 1.15 0.00 5.00 0.00 -1.14 -2.92 119.26 122.72 3ijr h ALA 164 Ca 0.27 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3ijr h ALA 164 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ijr h ALA 164 CO -0.26 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.30 3ijr h ALA 165 N 1.45 1.23 -0.39 0.00 0.00 -0.11 -3.25 119.26 118.19 3ijr h ALA 165 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3ijr h ALA 165 Cb 0.85 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ijr h ALA 165 CO 0.06 0.37 0.27 -0.07 0.00 0.00 0.00 179.25 179.89 3ijr h LEU 166 N 0.00 0.09 -2.37 0.00 3.38 -1.17 0.13 115.31 115.37 3ijr h LEU 166 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ijr h LEU 166 Cb 0.63 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ijr h LEU 166 CO 0.04 0.05 -0.02 0.28 0.09 0.00 0.00 178.44 178.88 3ijr h SER 167 N 0.10 0.00 0.00 -0.43 0.02 -1.75 -3.15 113.55 108.33 3ijr h SER 167 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3ijr h SER 167 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3ijr h SER 167 CO -0.02 0.02 -0.47 1.41 -1.14 0.00 0.00 176.83 176.64 3ijr n HIS 168 N -3.25 0.00 -3.39 3.45 8.25 0.42 -4.99 115.22 115.71 3ijr n HIS 168 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 3ijr n HIS 168 Cb 0.16 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.48 4.48 0.00 2.41 1.43 -0.90 -4.50 118.68 119.12 3ijr s LEU 169 Ca 0.03 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3ijr s LEU 169 Cb 0.07 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 3ijr s LEU 169 CO 0.37 0.28 0.08 0.29 0.23 0.00 0.00 176.35 177.59 3ijr n LYS 170 N 1.92 0.46 -1.65 1.70 4.01 -1.26 -4.97 118.16 118.38 3ijr n LYS 170 Ca -0.12 -1.20 -0.47 0.00 -0.51 0.00 0.00 58.31 56.01 3ijr n LYS 170 Cb 0.52 0.82 -0.04 0.00 -0.51 0.00 0.00 35.03 35.82 3ijr n LYS 170 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3ijr n GLN 171 N -0.27 1.90 0.00 1.97 7.27 -1.20 -1.05 117.38 125.99 3ijr n GLN 171 Ca 0.00 0.68 0.00 0.00 0.07 0.00 0.00 57.00 57.76 3ijr n GLN 171 Cb 0.22 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.49 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 2.74 0.97 3.91 1.69 0.00 0.49 -5.00 105.19 109.99 3ijr n GLY 172 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.64 4.97 -0.03 1.61 1.01 -0.22 -4.94 116.67 116.43 3ijr s ASP 173 Ca 0.00 0.71 -0.07 0.00 0.71 0.00 0.00 52.55 53.90 3ijr s ASP 173 Cb 0.00 -1.40 0.01 0.00 1.01 0.00 0.00 42.92 42.54 3ijr s ASP 173 CO 0.00 -1.55 0.16 -0.69 0.21 0.00 0.00 175.17 173.30 3ijr s VAL 174 N -3.32 0.04 -0.06 -1.27 1.01 -0.31 -2.32 120.40 114.17 3ijr s VAL 174 Ca 0.59 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3ijr s VAL 174 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3ijr s VAL 174 CO 0.47 -0.20 -0.22 -0.63 0.00 0.00 0.00 175.10 174.53 3ijr s ILE 175 N -0.69 1.80 -0.06 2.22 1.01 0.27 -1.40 121.20 124.34 3ijr s ILE 175 Ca -0.08 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.69 3ijr s ILE 175 Cb -0.05 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.90 3ijr s ILE 175 CO 0.01 0.50 -0.14 -0.63 0.00 0.00 0.00 174.94 174.68 3ijr s ILE 176 N 0.03 1.28 -0.12 2.92 1.01 0.34 -2.05 121.20 124.60 3ijr s ILE 176 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3ijr s ILE 176 Cb -0.14 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3ijr s ILE 176 CO 0.04 0.38 -0.13 0.20 0.00 0.00 0.00 174.94 175.43 3ijr s ASN 177 N 0.51 3.99 -0.37 3.58 0.01 -0.21 -0.91 114.94 121.55 3ijr s ASN 177 Ca -0.13 -0.32 -0.27 0.00 -0.71 0.00 0.00 52.86 51.43 3ijr s ASN 177 Cb -0.15 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 39.97 3ijr s ASN 177 CO 0.04 0.18 0.97 -0.89 -1.51 0.00 0.00 177.10 175.89 3ijr s THR 178 N 0.28 4.54 0.00 1.60 2.01 0.58 -1.86 115.64 122.79 3ijr s THR 178 Ca -0.10 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.21 3ijr s THR 178 Cb -0.16 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 67.98 3ijr s THR 178 CO 0.05 -0.56 0.00 0.00 -0.69 0.00 0.00 174.62 173.43 3ijr n ALA 179 N 6.87 0.00 -3.60 7.40 0.00 0.88 -4.87 120.51 127.19 3ijr n ALA 179 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 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 -1.00 -0.20 0.53 0.00 0.15 -1.26 -4.44 113.70 107.48 3ijr s SER 180 Ca 0.00 0.14 0.23 0.00 0.70 0.00 0.00 55.95 57.02 3ijr s SER 180 Cb 0.00 0.18 1.38 0.00 -1.71 0.00 0.00 66.02 65.88 3ijr s SER 180 CO 0.00 -0.24 2.05 -0.29 1.20 0.00 0.00 173.24 175.95 3ijr h ILE 181 N 2.19 0.78 0.00 6.45 2.10 -1.55 -2.28 117.51 125.21 3ijr h ILE 181 Ca -0.13 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 3ijr h ILE 181 Cb 1.18 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 37.72 3ijr h ILE 181 CO 0.26 0.00 -0.09 -0.37 -1.08 0.00 0.00 178.15 176.86 3ijr h VAL 182 N 0.00 0.57 0.00 2.19 -1.51 -1.85 0.81 116.25 116.45 3ijr h VAL 182 Ca 0.17 -0.42 -0.05 0.00 -1.23 0.00 0.00 66.70 65.17 3ijr h VAL 182 Cb 0.70 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 3ijr h VAL 182 CO -0.00 0.09 -0.25 0.00 -1.23 0.00 0.00 177.57 176.18 3ijr h ALA 183 N 1.91 1.37 0.04 5.19 0.00 -1.64 0.16 119.26 126.29 3ijr h ALA 183 Ca -0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.31 3ijr h ALA 183 Cb 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3ijr h ALA 183 CO 0.01 0.31 -2.27 0.66 0.00 0.00 0.00 179.25 177.96 3ijr n TYR 184 N -3.93 0.45 0.52 0.00 4.01 0.11 -4.56 117.16 113.76 3ijr n TYR 184 Ca -0.02 0.10 0.06 0.00 -0.16 0.00 0.00 57.90 57.89 3ijr n TYR 184 Cb 0.33 -1.06 0.02 0.00 -0.31 0.00 0.00 39.34 38.31 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 -3.25 1.51 -0.20 -0.72 0.28 -0.23 -5.08 120.64 112.94 3ijr n GLU 185 Ca -0.38 -0.87 0.02 0.00 -0.16 0.00 0.00 57.16 55.76 3ijr n GLU 185 Cb 1.03 -1.17 -0.01 0.00 1.43 0.00 0.00 31.44 32.72 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 0.87 -2.76 2.80 -1.84 0.00 0.57 -5.00 105.19 99.83 3ijr n GLY 186 Ca 0.06 -1.37 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.31 1.14 0.58 1.61 3.84 -1.26 -4.76 114.94 111.78 3ijr s ASN 187 Ca 0.00 0.01 0.27 0.00 0.21 0.00 0.00 52.86 53.36 3ijr s ASN 187 Cb 0.00 0.34 1.64 0.00 -0.55 0.00 0.00 41.25 42.68 3ijr s ASN 187 CO 0.00 -0.29 2.14 1.05 -2.79 0.00 0.00 177.10 177.21 3ijr h GLU 188 N 8.33 0.00 -0.14 0.43 4.11 -1.97 -1.30 114.58 124.04 3ijr h GLU 188 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3ijr h GLU 188 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3ijr h GLU 188 CO 0.22 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.55 3ijr n THR 189 N -3.95 0.22 -2.82 -1.06 -2.24 -1.26 -4.52 114.28 98.65 3ijr n THR 189 Ca 0.00 -0.61 -0.18 0.00 -2.27 0.00 0.00 64.05 60.99 3ijr n THR 189 Cb 0.24 1.19 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.05 2.44 -0.03 3.22 4.77 -0.50 -1.25 117.00 126.69 3ijr n LEU 190 Ca 0.12 -4.71 -0.12 0.00 -0.03 0.00 0.00 56.01 51.27 3ijr n LEU 190 Cb 0.47 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3ijr n LEU 190 CO 0.12 2.04 0.78 0.40 -1.33 0.00 0.00 177.39 179.39 3ijr h ILE 191 N 2.34 1.21 -0.11 -0.08 2.04 -1.78 0.15 117.51 121.29 3ijr h ILE 191 Ca 0.08 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3ijr h ILE 191 Cb 0.96 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3ijr h ILE 191 CO 0.62 0.19 -0.01 -2.24 0.00 0.00 0.00 178.15 176.72 3ijr h ASP 192 N -0.01 0.19 -0.45 1.72 2.03 -1.91 -2.09 116.42 115.90 3ijr h ASP 192 Ca 0.04 -0.33 0.06 0.00 -0.73 0.00 0.00 57.03 56.07 3ijr h ASP 192 Cb 0.28 -0.05 -0.05 0.00 -0.83 0.00 0.00 39.33 38.68 3ijr h ASP 192 CO 0.00 0.47 0.14 0.22 -1.03 0.00 0.00 179.24 179.04 3ijr h TYR 193 N -0.10 0.24 -0.72 4.15 3.20 -1.91 -1.54 116.97 120.29 3ijr h TYR 193 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ijr h TYR 193 Cb 0.38 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3ijr h TYR 193 CO 0.04 0.07 0.45 0.66 -1.64 0.00 0.00 178.16 177.73 3ijr h SER 194 N 0.29 0.84 -0.42 -2.11 4.64 -0.59 -1.04 113.55 115.17 3ijr h SER 194 Ca 0.21 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3ijr h SER 194 Cb 0.23 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3ijr h SER 194 CO -0.24 0.64 -0.01 0.00 -0.87 0.00 0.00 176.83 176.35 3ijr h ALA 195 N 1.51 1.06 -0.56 5.18 0.00 -0.64 0.09 119.26 125.91 3ijr h ALA 195 Ca 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ijr h ALA 195 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3ijr h ALA 195 CO -0.05 0.59 0.10 1.79 0.00 0.00 0.00 179.25 181.67 3ijr h THR 196 N 0.77 1.24 -0.14 0.00 1.35 -0.28 -0.69 112.91 115.16 3ijr h THR 196 Ca 0.15 -0.91 -0.16 0.00 -0.55 0.00 0.00 66.41 64.94 3ijr h THR 196 Cb 0.47 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 3ijr h THR 196 CO 0.02 0.34 -0.59 0.11 -0.25 0.00 0.00 175.52 175.15 3ijr h LYS 197 N 0.84 0.45 -0.52 4.72 1.79 -0.70 -1.28 116.57 121.86 3ijr h LYS 197 Ca 0.18 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.28 3ijr h LYS 197 Cb 0.36 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3ijr h LYS 197 CO 0.01 0.91 0.04 0.78 -1.08 0.00 0.00 179.45 180.10 3ijr h GLY 198 N 1.20 0.92 0.97 3.86 0.00 -0.74 -1.96 103.07 107.31 3ijr h GLY 198 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.74 3ijr h GLY 198 CO 0.10 0.56 0.50 0.00 0.00 0.00 0.00 176.54 177.70 3ijr h ALA 199 N 1.24 0.98 -0.81 3.60 0.00 -0.70 -2.43 119.26 121.13 3ijr h ALA 199 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ijr h ALA 199 Cb 0.43 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3ijr h ALA 199 CO 0.02 0.36 0.38 0.82 0.00 0.00 0.00 179.25 180.82 3ijr h ILE 200 N 1.01 1.25 -0.23 0.00 2.04 -0.79 0.25 117.51 121.05 3ijr h ILE 200 Ca 0.29 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3ijr h ILE 200 Cb -0.08 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3ijr h ILE 200 CO -0.08 0.31 0.08 0.58 0.00 0.00 0.00 178.15 179.04 3ijr h VAL 201 N 1.16 1.18 -0.51 1.67 2.07 -1.13 0.24 116.25 120.92 3ijr h VAL 201 Ca 0.28 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 3ijr h VAL 201 Cb 0.13 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3ijr h VAL 201 CO -0.03 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.68 3ijr h ALA 202 N 0.92 0.94 -0.29 1.67 0.00 -1.23 -1.81 119.26 119.45 3ijr h ALA 202 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ijr h ALA 202 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ijr h ALA 202 CO -0.00 0.63 0.14 0.35 0.00 0.00 0.00 179.25 180.36 3ijr h PHE 203 N 0.83 0.26 -0.31 0.00 3.57 -0.77 -0.73 116.94 119.79 3ijr h PHE 203 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3ijr h PHE 203 Cb 0.57 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3ijr h PHE 203 CO 0.03 0.14 0.17 1.15 -2.23 0.00 0.00 178.31 177.57 3ijr h THR 204 N 0.29 1.02 -0.18 4.41 2.02 -0.58 0.86 112.91 120.76 3ijr h THR 204 Ca 0.12 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3ijr h THR 204 Cb 0.05 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3ijr h THR 204 CO -0.09 0.06 0.08 0.03 0.37 0.00 0.00 175.52 175.97 3ijr h ARG 205 N 0.35 0.27 -0.49 6.66 3.08 -1.10 -1.42 114.38 121.74 3ijr h ARG 205 Ca 0.12 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3ijr h ARG 205 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3ijr h ARG 205 CO -0.07 0.32 0.04 0.77 -1.07 0.00 0.00 179.97 179.97 3ijr h SER 206 N 0.16 0.80 -0.18 7.04 0.02 -0.95 -2.82 113.55 117.62 3ijr h SER 206 Ca 0.06 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 3ijr h SER 206 Cb 0.15 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3ijr h SER 206 CO -0.01 0.89 -0.26 0.25 -1.14 0.00 0.00 176.83 176.56 3ijr h LEU 207 N 0.69 0.66 -0.80 5.07 5.85 -0.82 -1.14 115.31 124.83 3ijr h LEU 207 Ca 0.14 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3ijr h LEU 207 Cb 0.45 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3ijr h LEU 207 CO 0.02 0.90 0.49 0.77 -0.34 0.00 0.00 178.44 180.28 3ijr h SER 208 N 0.56 0.79 0.23 1.25 4.64 -1.10 0.06 113.55 119.98 3ijr h SER 208 Ca 0.08 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 3ijr h SER 208 Cb 0.74 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3ijr h SER 208 CO 0.06 0.52 -0.59 1.56 -0.87 0.00 0.00 176.83 177.51 3ijr h GLN 209 N 0.93 0.37 -0.51 4.77 1.08 -1.23 -1.85 115.11 118.67 3ijr h GLN 209 Ca 0.34 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 3ijr h GLN 209 Cb 0.10 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3ijr h GLN 209 CO -0.15 0.85 0.00 1.03 -0.95 0.00 0.00 178.83 179.61 3ijr h SER 210 N 0.28 0.84 -0.01 1.46 0.87 -0.37 -3.30 113.55 113.31 3ijr h SER 210 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3ijr h SER 210 Cb 1.11 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3ijr h SER 210 CO 0.10 0.90 -0.47 0.18 -0.53 0.00 0.00 176.83 177.01 3ijr n LEU 211 N -4.20 2.01 -0.34 2.23 4.77 -0.07 -4.62 117.00 116.78 3ijr n LEU 211 Ca 0.03 -0.74 -0.01 0.00 -0.03 0.00 0.00 56.01 55.25 3ijr n LEU 211 Cb 0.31 -0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.52 3ijr n LEU 211 CO 0.42 0.37 1.24 1.62 -1.33 0.00 0.00 177.39 179.72 3ijr h VAL 212 N 2.43 1.15 0.00 4.08 3.04 -1.42 -0.18 116.25 125.34 3ijr h VAL 212 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 3ijr h VAL 212 Cb 0.75 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 3ijr h VAL 212 CO 0.00 0.21 0.00 0.00 -1.01 0.00 0.00 177.57 176.77 3ijr n GLN 213 N -4.51 0.16 0.00 4.17 6.02 -1.26 -1.25 117.38 120.72 3ijr n GLN 213 Ca 0.12 0.29 0.14 0.00 -0.01 0.00 0.00 57.00 57.54 3ijr n GLN 213 Cb 0.09 -1.76 0.53 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.06 0.86 -1.80 -1.09 5.02 -0.10 -4.93 118.16 114.06 3ijr n LYS 214 Ca 0.04 -0.39 -0.05 0.00 -2.02 0.00 0.00 58.31 55.88 3ijr n LYS 214 Cb 0.29 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.28 0.35 3.39 0.72 0.00 -0.38 -3.27 105.19 107.28 3ijr n GLY 215 Ca 0.14 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.25 3.73 0.07 -0.61 1.01 -1.12 -0.38 121.20 121.65 3ijr s ILE 216 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 3ijr s ILE 216 Cb 0.00 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 3ijr s ILE 216 CO 0.00 0.42 0.38 -0.13 0.00 0.00 0.00 174.94 175.61 3ijr s ARG 217 N 1.27 3.73 -0.08 2.79 0.52 -0.98 -4.00 118.95 122.19 3ijr s ARG 217 Ca 0.04 0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.36 3ijr s ARG 217 Cb -0.15 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.36 3ijr s ARG 217 CO 0.00 0.57 0.03 0.08 0.02 0.00 0.00 175.30 175.99 3ijr s VAL 218 N -1.40 0.23 0.28 3.52 1.01 -1.26 -0.57 120.40 122.22 3ijr s VAL 218 Ca 0.33 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.47 3ijr s VAL 218 Cb -0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3ijr s VAL 218 CO 0.18 0.17 0.24 0.20 0.00 0.00 0.00 175.10 175.89 3ijr s ASN 219 N 2.03 1.01 0.20 3.32 0.01 -0.87 -0.19 114.94 120.45 3ijr s ASN 219 Ca 0.04 -1.58 0.02 0.00 -0.71 0.00 0.00 52.86 50.63 3ijr s ASN 219 Cb -0.13 0.50 -0.05 0.00 0.41 0.00 0.00 41.25 41.98 3ijr s ASN 219 CO -0.05 -1.00 0.03 -0.83 -1.51 0.00 0.00 177.10 173.75 3ijr s GLY 220 N -3.27 1.38 -0.07 0.66 0.00 0.13 -1.05 107.32 105.09 3ijr s GLY 220 Ca 0.39 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.47 3ijr s GLY 220 CO 0.21 -1.55 -0.19 0.14 0.00 0.00 0.00 173.10 171.71 3ijr s VAL 221 N -3.69 1.66 -0.60 1.40 1.01 -0.78 -1.27 120.40 118.14 3ijr s VAL 221 Ca 0.28 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3ijr s VAL 221 Cb 0.07 -1.45 0.15 0.00 0.00 0.00 0.00 36.38 35.15 3ijr s VAL 221 CO 0.07 0.47 0.40 0.00 0.00 0.00 0.00 175.10 176.04 3ijr s ALA 222 N 0.28 3.52 0.69 5.51 0.00 0.04 -0.09 121.76 131.71 3ijr s ALA 222 Ca -0.12 -3.23 -0.12 0.00 0.00 0.00 0.00 51.96 48.50 3ijr s ALA 222 Cb -0.15 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.40 3ijr s ALA 222 CO 0.05 -2.07 1.07 -2.14 0.00 0.00 0.00 175.76 172.66 3ijr s PRO 223 N -0.04 2.89 0.00 0.00 0.02 -1.26 -2.61 135.00 134.01 3ijr s PRO 223 Ca 0.16 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.24 3ijr s PRO 223 Cb -0.21 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3ijr s PRO 223 CO -0.03 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3ijr n GLY 224 N -1.61 1.82 3.60 0.52 0.00 -0.47 -1.80 105.19 107.25 3ijr n GLY 224 Ca 0.08 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 3.94 3.59 -0.08 1.61 0.04 -1.26 -4.93 135.00 137.91 3ijr s PRO 225 Ca 0.00 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.80 3ijr s PRO 225 Cb 0.00 -4.00 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 3ijr s PRO 225 CO 0.00 -1.55 -0.13 0.42 0.04 0.00 0.00 177.00 175.78 3ijr s ILE 226 N 5.17 3.15 -0.67 0.56 -1.09 -1.26 -0.48 121.20 126.57 3ijr s ILE 226 Ca 0.55 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 58.04 3ijr s ILE 226 Cb -0.11 -2.27 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 3ijr s ILE 226 CO 0.32 0.57 1.48 0.86 -1.23 0.00 0.00 174.94 176.94 3ijr s TRP 227 N -0.33 2.08 0.25 3.97 -0.11 -0.35 -4.84 118.94 119.61 3ijr s TRP 227 Ca 0.03 0.29 0.02 0.00 1.22 0.00 0.00 56.10 57.66 3ijr s TRP 227 Cb -0.13 -4.42 -0.04 0.00 -1.50 0.00 0.00 33.47 27.38 3ijr s TRP 227 CO 0.02 -2.14 0.17 0.95 -4.62 0.00 0.00 176.95 171.34 3ijr s THR 228 N 6.85 0.06 0.57 5.86 -4.23 -1.26 -4.46 115.64 119.02 3ijr s THR 228 Ca 0.48 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.42 3ijr s THR 228 Cb -0.10 -2.51 0.44 0.00 1.34 0.00 0.00 72.50 71.67 3ijr s THR 228 CO 0.18 0.00 2.31 -0.65 -0.54 0.00 0.00 174.62 175.92 3ijr h PRO 229 N 2.43 0.00 -0.03 3.99 0.11 -1.90 -2.55 132.00 134.06 3ijr h PRO 229 Ca -0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 3ijr h PRO 229 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ijr h PRO 229 CO 0.49 0.00 -0.12 1.25 -0.21 0.00 0.00 178.00 179.40 3ijr h LEU 230 N 0.00 0.04 0.24 2.35 5.85 -1.93 -3.08 115.31 118.77 3ijr h LEU 230 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ijr h LEU 230 Cb 0.06 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3ijr h LEU 230 CO 0.00 0.17 -0.12 0.40 -0.34 0.00 0.00 178.44 178.55 3ijr h ILE 231 N 0.04 0.00 0.00 4.05 1.08 -1.78 -2.82 117.51 118.08 3ijr h ILE 231 Ca 0.01 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3ijr h ILE 231 Cb 0.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 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 -0.76 0.00 0.00 2.37 0.13 -1.73 -0.96 132.00 131.05 3ijr h PRO 232 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ijr h PRO 232 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 3ijr h PRO 232 CO 0.05 0.00 -0.44 -1.13 -0.23 0.00 0.00 178.00 176.25 3ijr n SER 233 N -2.69 0.48 -0.02 1.44 3.41 -1.16 -0.52 113.62 114.55 3ijr n SER 233 Ca -0.01 -0.02 -0.03 0.00 -0.26 0.00 0.00 58.87 58.56 3ijr n SER 233 Cb 0.14 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.67 3.69 -4.90 4.04 3.41 -0.89 -4.53 113.62 112.77 3ijr n SER 234 Ca 0.05 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.36 3ijr n SER 234 Cb 0.36 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.08 3.48 0.73 7.33 0.08 -0.42 -4.60 117.98 122.52 3ijr s PHE 235 Ca -0.05 0.74 -0.11 0.00 0.12 0.00 0.00 56.93 57.62 3ijr s PHE 235 Cb 0.01 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3ijr s PHE 235 CO 0.09 0.06 1.09 0.16 -0.10 0.00 0.00 175.22 176.52 3ijr s ASP 236 N -3.30 5.16 0.25 1.36 -4.77 -1.26 -4.73 116.67 109.37 3ijr s ASP 236 Ca 0.46 1.22 -0.04 0.00 -3.30 0.00 0.00 52.55 50.89 3ijr s ASP 236 Cb -0.10 -2.01 0.44 0.00 -1.09 0.00 0.00 42.92 40.15 3ijr s ASP 236 CO 0.32 -1.54 1.78 1.05 0.70 0.00 0.00 175.17 177.49 3ijr h GLU 237 N -0.79 0.66 0.53 2.11 9.09 -1.94 0.20 114.58 124.44 3ijr h GLU 237 Ca -0.46 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 58.90 3ijr h GLU 237 Cb 1.25 -0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3ijr h GLU 237 CO 0.62 0.44 -0.33 -0.22 0.05 0.00 0.00 179.01 179.57 3ijr h LYS 238 N 0.68 -0.79 -0.58 1.06 1.63 -1.93 -1.12 116.57 115.52 3ijr h LYS 238 Ca 0.41 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.29 3ijr h LYS 238 Cb 0.48 0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 3ijr h LYS 238 CO -0.30 -0.53 0.35 -0.22 -3.45 0.00 0.00 179.45 175.30 3ijr h LYS 239 N -0.82 0.67 -0.84 1.90 1.63 -1.80 -2.34 116.57 114.97 3ijr h LYS 239 Ca -0.06 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.79 3ijr h LYS 239 Cb 0.67 -0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.07 3ijr h LYS 239 CO 0.06 0.45 0.49 0.28 -3.45 0.00 0.00 179.45 177.28 3ijr h VAL 240 N 0.69 0.92 0.00 2.00 2.07 -0.46 -2.01 116.25 119.46 3ijr h VAL 240 Ca 0.23 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3ijr h VAL 240 Cb 0.03 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3ijr h VAL 240 CO -0.10 0.15 -0.09 0.77 0.02 0.00 0.00 177.57 178.32 3ijr h SER 241 N 0.82 0.00 -0.34 0.57 4.64 -0.64 -2.33 113.55 116.28 3ijr h SER 241 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3ijr h SER 241 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ijr h SER 241 CO -0.24 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.80 3ijr n GLN 242 N -3.60 2.30 -1.67 4.77 6.02 -0.81 -0.01 117.38 124.38 3ijr n GLN 242 Ca -0.02 -2.00 -0.46 0.00 -0.01 0.00 0.00 57.00 54.51 3ijr n GLN 242 Cb 0.21 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 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 0.90 2.30 -0.13 1.08 7.35 -0.88 -2.19 117.46 125.89 3ijr n PHE 243 Ca 0.14 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3ijr n PHE 243 Cb 0.46 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.73 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 3.51 1.86 0.00 7.13 0.00 -1.26 -4.22 105.19 112.21 3ijr n GLY 244 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3ijr n GLY 244 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ijr n SER 245 N 0.00 0.00 0.13 1.61 3.41 -0.93 -2.03 113.62 115.81 3ijr n SER 245 Ca 0.00 0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.85 3ijr n SER 245 Cb 0.00 -0.36 0.04 0.00 -0.26 0.00 0.00 64.21 63.62 3ijr n SER 245 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ijr h ASN 246 N 0.00 0.00 -3.90 4.04 -1.07 -1.91 -3.44 115.58 109.30 3ijr h ASN 246 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.87 3ijr h ASN 246 Cb 0.27 0.00 0.04 0.00 -2.07 0.00 0.00 38.32 36.56 3ijr h ASN 246 CO 0.00 0.19 0.24 0.68 0.07 0.00 0.00 177.43 178.61 3ijr s VAL 247 N -3.17 4.80 0.00 6.14 -7.23 -1.23 -4.96 120.40 114.76 3ijr s VAL 247 Ca 0.02 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 3ijr s VAL 247 Cb 0.08 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.17 3ijr s VAL 247 CO 0.75 -0.92 0.12 -2.65 -0.31 0.00 0.00 175.10 172.10 3ijr n PRO 248 N -2.30 0.00 -1.51 4.82 -0.02 -1.19 -4.52 135.00 130.27 3ijr n PRO 248 Ca 0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3ijr n PRO 248 Cb 0.55 -1.39 0.01 0.00 -0.02 0.00 0.00 33.50 32.65 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 2.15 0.15 -3.53 -0.52 6.02 -1.26 -5.03 117.38 115.35 3ijr n GLN 250 Ca 0.00 -0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 56.73 3ijr n GLN 250 Cb 0.00 0.11 -0.04 0.00 1.02 0.00 0.00 30.24 31.33 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 0.01 0.82 0.66 -1.09 1.70 -0.86 -4.71 118.95 115.48 3ijr s ARG 251 Ca 0.01 -0.01 -0.11 0.00 -0.47 0.00 0.00 55.73 55.15 3ijr s ARG 251 Cb 0.05 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3ijr s ARG 251 CO -0.01 -0.30 1.05 -1.25 -1.08 0.00 0.00 175.30 173.70 3ijr s PRO 252 N -1.92 3.26 0.59 3.89 0.04 -1.25 -4.75 135.00 134.86 3ijr s PRO 252 Ca -0.02 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 3ijr s PRO 252 Cb -0.01 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3ijr s PRO 252 CO -0.01 -0.84 0.90 0.20 0.04 0.00 0.00 177.00 177.29 3ijr s GLY 253 N -4.00 1.61 0.10 0.56 0.00 0.36 -4.87 107.32 101.08 3ijr s GLY 253 Ca 0.57 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.62 3ijr s GLY 253 CO 0.54 -0.42 0.09 1.20 0.00 0.00 0.00 173.10 174.52 3ijr s GLN 254 N -4.99 2.88 0.46 2.90 -1.52 -1.26 -1.21 119.66 116.93 3ijr s GLN 254 Ca 0.54 -0.72 0.21 0.00 -1.95 0.00 0.00 55.36 53.44 3ijr s GLN 254 Cb -0.11 -2.71 1.21 0.00 -0.22 0.00 0.00 33.01 31.18 3ijr s GLN 254 CO 0.45 0.55 1.90 -1.35 -0.25 0.00 0.00 175.29 176.60 3ijr h PRO 255 N 3.13 0.25 0.00 2.91 0.11 -1.75 0.32 132.00 136.98 3ijr h PRO 255 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ijr h PRO 255 Cb 1.17 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ijr h PRO 255 CO 0.65 0.17 -0.04 0.10 -0.21 0.00 0.00 178.00 178.67 3ijr h TYR 256 N 0.26 0.00 0.00 0.65 -0.00 -1.58 -1.22 116.97 115.08 3ijr h TYR 256 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.13 3ijr h TYR 256 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.89 3ijr h TYR 256 CO -0.00 0.04 0.00 0.39 -0.00 0.00 0.00 178.16 178.59 3ijr n GLU 257 N -3.19 0.03 -0.04 0.10 1.02 0.10 -2.87 120.64 115.79 3ijr n GLU 257 Ca -0.00 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 3ijr n GLU 257 Cb 0.28 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.59 0.82 -0.21 -4.62 7.99 -0.47 -4.58 117.00 114.35 3ijr n LEU 258 Ca 0.06 0.33 -0.01 0.00 -0.01 0.00 0.00 56.01 56.37 3ijr n LEU 258 Cb 0.29 0.16 0.10 0.00 -0.11 0.00 0.00 43.42 43.86 3ijr n LEU 258 CO 0.23 0.44 1.04 0.00 -1.51 0.00 0.00 177.39 177.58 3ijr h ALA 259 N 0.95 0.81 0.00 -1.18 0.00 -1.48 -2.65 119.26 115.70 3ijr h ALA 259 Ca -0.34 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ijr h ALA 259 Cb 2.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 3ijr h ALA 259 CO 0.07 -0.07 -0.05 -1.35 0.00 0.00 0.00 179.25 177.84 3ijr h PRO 260 N 0.54 0.00 -0.61 0.00 0.11 -1.81 -0.97 132.00 129.26 3ijr h PRO 260 Ca 0.29 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 3ijr h PRO 260 Cb 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3ijr h PRO 260 CO -0.23 0.05 0.09 0.00 -0.21 0.00 0.00 178.00 177.71 3ijr h ALA 261 N 1.95 0.81 -0.50 -0.75 0.00 -1.76 -0.59 119.26 118.42 3ijr h ALA 261 Ca -0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3ijr h ALA 261 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ijr h ALA 261 CO 0.01 0.58 -0.00 1.88 0.00 0.00 0.00 179.25 181.71 3ijr h TYR 262 N 0.93 0.96 -0.52 0.00 0.05 -1.37 -1.57 116.97 115.45 3ijr h TYR 262 Ca 0.18 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3ijr h TYR 262 Cb 0.44 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 3ijr h TYR 262 CO 0.03 0.90 0.28 0.28 -1.05 0.00 0.00 178.16 178.60 3ijr h VAL 263 N 0.74 0.98 -0.02 -2.88 2.07 -0.98 0.99 116.25 117.15 3ijr h VAL 263 Ca 0.14 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3ijr h VAL 263 Cb 0.52 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3ijr h VAL 263 CO 0.03 0.10 -0.05 0.22 0.02 0.00 0.00 177.57 177.89 3ijr h TYR 264 N 0.54 -0.12 -0.00 1.57 3.20 -0.95 -2.12 116.97 119.09 3ijr h TYR 264 Ca 0.22 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3ijr h TYR 264 Cb 0.11 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3ijr h TYR 264 CO -0.09 -0.08 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.87 3ijr h LEU 265 N -0.07 0.01 -0.22 2.82 3.38 -0.98 -3.18 115.31 117.06 3ijr h LEU 265 Ca 0.03 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3ijr h LEU 265 Cb 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ijr h LEU 265 CO -0.07 0.42 -0.60 0.00 0.09 0.00 0.00 178.44 178.28 3ijr h ALA 266 N 1.58 0.67 -1.34 1.53 0.00 -0.62 -3.46 119.26 117.62 3ijr h ALA 266 Ca -0.00 -0.55 -0.44 0.00 0.00 0.00 0.00 54.91 53.91 3ijr h ALA 266 Cb 0.74 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.46 3ijr h ALA 266 CO 0.05 0.76 -0.15 -1.54 0.00 0.00 0.00 179.25 178.37 3ijr s SER 267 N -6.53 5.34 0.00 0.00 1.04 -0.81 -4.89 113.70 107.85 3ijr s SER 267 Ca 0.02 -0.45 0.09 0.00 0.48 0.00 0.00 55.95 56.10 3ijr s SER 267 Cb 0.09 -0.40 0.48 0.00 0.10 0.00 0.00 66.02 66.29 3ijr s SER 267 CO 0.75 -1.07 1.18 -1.54 0.98 0.00 0.00 173.24 173.54 3ijr n SER 268 N -2.12 0.00 0.28 7.02 3.41 -1.26 -2.26 113.62 118.69 3ijr n SER 268 Ca 0.11 0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 3ijr n SER 268 Cb 0.60 -0.28 0.82 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.45 4.04 3.32 -1.91 -2.61 116.42 118.81 3ijr h ASP 269 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3ijr h ASP 269 Cb 0.09 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.48 3ijr h ASP 269 CO 0.00 0.01 -0.05 -1.54 -1.72 0.00 0.00 179.24 175.94 3ijr n SER 270 N -4.06 2.93 0.15 6.45 3.41 -0.96 -4.80 113.62 116.74 3ijr n SER 270 Ca -0.03 -3.79 0.19 0.00 -0.26 0.00 0.00 58.87 54.98 3ijr n SER 270 Cb 0.09 -0.65 0.76 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.13 0.00 -0.48 4.04 4.64 -1.65 0.74 113.55 121.97 3ijr h SER 271 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3ijr h SER 271 Cb 1.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 3ijr h SER 271 CO 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 3ijr n TYR 272 N -3.52 1.69 -4.10 4.77 9.36 -1.26 -4.93 117.16 119.17 3ijr n TYR 272 Ca 0.05 -0.77 -0.33 0.00 3.32 0.00 0.00 57.90 60.17 3ijr n TYR 272 Cb 0.56 -0.44 -0.16 0.00 -0.63 0.00 0.00 39.34 38.67 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 -2.75 2.15 -0.05 2.97 1.01 0.25 -5.10 120.40 118.89 3ijr s VAL 273 Ca 0.50 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3ijr s VAL 273 Cb 0.39 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3ijr s VAL 273 CO 0.14 0.43 0.35 0.28 0.00 0.00 0.00 175.10 176.30 3ijr s THR 274 N 1.27 0.04 0.00 3.92 -1.32 -1.26 -4.68 115.64 113.60 3ijr s THR 274 Ca 0.03 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 3ijr s THR 274 Cb -0.14 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 3ijr s THR 274 CO -0.11 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 3ijr n GLY 275 N 1.68 0.65 0.00 6.08 0.00 0.74 -4.98 105.19 109.37 3ijr n GLY 275 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.66 3.89 -3.63 1.61 1.13 -1.26 -4.69 117.38 111.76 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 2.88 -0.65 -0.40 5.09 -1.09 -0.39 0.18 121.20 126.83 3ijr s ILE 278 Ca 0.00 0.15 -0.18 0.00 -2.23 0.00 0.00 60.65 58.39 3ijr s ILE 278 Cb 0.00 -0.67 0.01 0.00 -1.58 0.00 0.00 42.46 40.22 3ijr s ILE 278 CO 0.00 0.06 0.51 -1.00 -1.23 0.00 0.00 174.94 173.28 3ijr s HIS 279 N 2.61 3.14 -0.57 3.97 3.76 -1.26 -0.78 115.29 126.16 3ijr s HIS 279 Ca -0.00 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 54.83 3ijr s HIS 279 Cb -0.12 -3.02 0.14 0.00 1.11 0.00 0.00 32.58 30.69 3ijr s HIS 279 CO -0.13 -0.69 0.33 0.08 -0.85 0.00 0.00 174.74 173.48 3ijr s VAL 280 N 2.39 2.69 0.00 -0.90 1.01 -1.07 -4.91 120.40 119.61 3ijr s VAL 280 Ca 0.17 -3.59 0.00 0.00 0.00 0.00 0.00 61.98 58.55 3ijr s VAL 280 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3ijr s VAL 280 CO 0.15 -0.86 0.72 -0.46 0.00 0.00 0.00 175.10 174.65 3ijr n ASN 281 N 2.79 0.00 0.00 3.32 0.23 -1.26 -1.37 115.26 118.97 3ijr n ASN 281 Ca 0.09 -1.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 3ijr n ASN 281 Cb 0.33 -0.09 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 0.44 0.00 4.83 0.00 -1.26 -4.08 105.19 105.12 3ijr n GLY 282 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.98 1.09 3.68 -0.02 0.00 -1.26 -3.16 105.19 102.54 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 4.39 -0.00 1.61 1.01 -1.26 -4.71 120.40 119.44 3ijr s VAL 284 Ca 0.00 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 3ijr s VAL 284 Cb 0.00 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3ijr s VAL 284 CO 0.00 -0.03 0.93 -0.63 0.00 0.00 0.00 175.10 175.37 3ijr s ILE 285 N 2.43 4.87 -0.10 2.22 -1.09 -1.26 -4.94 121.20 123.34 3ijr s ILE 285 Ca 0.53 1.95 0.19 0.00 -2.23 0.00 0.00 60.65 61.10 3ijr s ILE 285 Cb -0.22 -4.27 0.43 0.00 -1.58 0.00 0.00 42.46 36.81 3ijr s ILE 285 CO 0.19 0.19 1.19 1.33 -1.23 0.00 0.00 174.94 176.61 3ijr n VAL 286 N 3.79 1.02 -2.87 2.92 0.24 -1.26 -4.95 118.33 117.22 3ijr n VAL 286 Ca 0.04 -2.07 -0.20 0.00 -2.04 0.00 0.00 64.34 60.08 3ijr n VAL 286 Cb 0.51 0.44 0.01 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.24 -5.04 -0.05 -1.34 5.15 -1.26 -5.03 115.26 107.46 3ijr n ASN 287 Ca 0.12 -0.16 0.16 0.00 -0.60 0.00 0.00 54.58 54.10 3ijr n ASN 287 Cb 0.94 -4.15 0.91 0.00 -0.53 0.00 0.00 39.78 36.95 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27