#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 -3.83 2.52 -2.24 0.18 -4.96 114.28 105.95 3ijr n THR 9 Ca 0.00 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 3ijr n THR 9 Cb 0.00 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.53 3.51 0.13 -0.78 0.02 -1.26 -5.03 135.00 131.06 3ijr s PRO 11 Ca 0.01 -0.16 -0.31 0.00 0.02 0.00 0.00 61.00 60.56 3ijr s PRO 11 Cb 0.01 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 3ijr s PRO 11 CO 0.03 0.68 1.62 0.00 -0.33 0.00 0.00 177.00 179.00 3ijr s ALA 12 N -1.25 3.74 0.02 -1.55 0.00 -1.26 -4.50 121.76 116.96 3ijr s ALA 12 Ca 0.25 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.25 3ijr s ALA 12 Cb -0.13 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.42 3ijr s ALA 12 CO 0.15 -0.93 0.77 1.14 0.00 0.00 0.00 175.76 176.89 3ijr s GLN 13 N 1.82 0.98 -0.19 0.00 -2.07 -1.26 -5.02 119.66 113.92 3ijr s GLN 13 Ca 0.72 -0.19 -0.16 0.00 -1.82 0.00 0.00 55.36 53.91 3ijr s GLN 13 Cb -0.42 0.45 0.05 0.00 -1.09 0.00 0.00 33.01 32.00 3ijr s GLN 13 CO 0.32 -0.39 0.51 -1.58 -1.32 0.00 0.00 175.29 172.82 3ijr s HIS 14 N -2.68 -0.60 -0.10 9.60 2.46 -1.26 -4.17 115.29 118.53 3ijr s HIS 14 Ca -0.00 1.41 -0.03 0.00 0.47 0.00 0.00 55.06 56.90 3ijr s HIS 14 Cb -0.01 0.23 -0.03 0.00 -0.13 0.00 0.00 32.58 32.64 3ijr s HIS 14 CO -0.05 -0.30 0.02 -0.65 -2.47 0.00 0.00 174.74 171.29 3ijr s GLN 15 N 0.54 3.18 0.44 2.88 -0.21 0.93 -5.00 119.66 122.42 3ijr s GLN 15 Ca -0.02 -0.39 0.24 0.00 0.02 0.00 0.00 55.36 55.21 3ijr s GLN 15 Cb -0.04 -2.88 0.89 0.00 1.00 0.00 0.00 33.01 31.98 3ijr s GLN 15 CO -0.03 0.63 1.81 -0.91 -2.12 0.00 0.00 175.29 174.67 3ijr h ASN 16 N 5.42 0.00 -4.44 5.90 2.35 -1.91 -3.40 115.58 119.50 3ijr h ASN 16 Ca -0.48 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 54.84 3ijr h ASN 16 Cb 1.19 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.35 3ijr h ASN 16 CO 0.57 0.22 -0.78 -1.59 -1.65 0.00 0.00 177.43 174.20 3ijr s LYS 17 N -3.61 0.85 0.02 0.81 0.00 -1.26 -5.11 119.74 111.44 3ijr s LYS 17 Ca 0.01 -0.99 0.07 0.00 0.00 0.00 0.00 55.97 55.06 3ijr s LYS 17 Cb 0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 37.83 37.03 3ijr s LYS 17 CO 0.64 0.19 -0.22 -1.14 0.00 0.00 0.00 175.35 174.83 3ijr s GLN 18 N -1.80 1.59 0.46 1.78 0.74 -1.26 -3.96 119.66 117.21 3ijr s GLN 18 Ca -0.01 -0.88 -0.25 0.00 0.05 0.00 0.00 55.36 54.28 3ijr s GLN 18 Cb -0.10 -1.64 -0.08 0.00 1.10 0.00 0.00 33.01 32.30 3ijr s GLN 18 CO 0.02 0.43 1.40 -1.25 -0.55 0.00 0.00 175.29 175.35 3ijr s PRO 19 N -0.87 3.62 0.81 1.67 0.04 -1.26 -5.16 135.00 133.85 3ijr s PRO 19 Ca 0.08 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 3ijr s PRO 19 Cb -0.09 -2.60 0.08 0.00 0.04 0.00 0.00 34.50 31.93 3ijr s PRO 19 CO 0.01 -0.85 1.09 0.20 0.04 0.00 0.00 177.00 177.48 3ijr s GLY 20 N -0.60 1.65 -0.20 0.56 0.00 -1.25 -5.03 107.32 102.44 3ijr s GLY 20 Ca 0.62 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.37 3ijr s GLY 20 CO 0.54 0.46 -0.05 -0.42 0.00 0.00 0.00 173.10 173.64 3ijr s ILE 21 N -2.97 3.47 0.26 0.90 -1.09 -1.26 -4.86 121.20 115.65 3ijr s ILE 21 Ca 0.61 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3ijr s ILE 21 Cb -0.17 -2.56 0.05 0.00 -1.58 0.00 0.00 42.46 38.21 3ijr s ILE 21 CO 0.56 0.45 1.68 -0.08 -1.23 0.00 0.00 174.94 176.32 3ijr h GLU 22 N 7.65 0.57 0.00 2.79 4.81 -1.96 -2.97 114.58 125.46 3ijr h GLU 22 Ca -0.37 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 3ijr h GLU 22 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3ijr h GLU 22 CO 0.60 0.78 0.00 0.66 -0.73 0.00 0.00 179.01 180.32 3ijr h SER 23 N 0.50 0.00 -1.34 1.04 4.64 -1.98 -3.45 113.55 112.96 3ijr h SER 23 Ca 0.07 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.64 3ijr h SER 23 Cb 0.71 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.65 3ijr h SER 23 CO 0.05 0.00 2.19 0.18 -0.87 0.00 0.00 176.83 178.38 3ijr n LEU 24 N -2.67 7.70 0.00 5.97 4.77 -1.13 -5.07 117.00 126.58 3ijr n LEU 24 Ca -0.00 -4.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.08 3ijr n LEU 24 Cb 0.17 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3ijr n LEU 24 CO 0.20 1.93 0.00 -3.20 -1.33 0.00 0.00 177.39 174.98 3ijr n ASN 26 N 1.96 0.00 -4.88 -1.43 5.15 -1.26 -5.09 115.26 109.71 3ijr n ASN 26 Ca 0.56 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.24 3ijr n ASN 26 Cb 0.27 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.59 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 2.44 0.22 1.20 0.04 -1.26 -4.34 135.00 133.30 3ijr s PRO 27 Ca 0.00 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.11 3ijr s PRO 27 Cb 0.00 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3ijr s PRO 27 CO 0.00 -1.31 1.34 -0.51 0.04 0.00 0.00 177.00 176.55 3ijr s LEU 28 N -5.50 4.41 0.57 -3.56 1.43 -1.26 -4.95 118.68 109.83 3ijr s LEU 28 Ca 0.60 2.48 -0.20 0.00 -1.03 0.00 0.00 54.13 55.97 3ijr s LEU 28 Cb -0.12 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 3ijr s LEU 28 CO 0.51 -0.56 1.18 -2.65 0.23 0.00 0.00 176.35 175.06 3ijr n PRO 29 N 2.43 1.27 -3.09 1.29 -0.02 -1.26 -4.91 135.00 130.71 3ijr n PRO 29 Ca 0.06 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 3ijr n PRO 29 Cb 0.42 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3ijr n PRO 29 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3ijr s GLN 30 N -2.86 3.40 0.00 -0.52 0.74 -1.26 -4.88 119.66 114.28 3ijr s GLN 30 Ca 0.75 -0.22 0.20 0.00 0.05 0.00 0.00 55.36 56.14 3ijr s GLN 30 Cb -0.42 -3.91 0.13 0.00 1.10 0.00 0.00 33.01 29.91 3ijr s GLN 30 CO 0.47 -0.96 1.12 1.97 -0.55 0.00 0.00 175.29 177.35 3ijr n PHE 31 N 6.29 0.00 -3.87 1.67 1.16 -1.26 -1.91 117.46 119.54 3ijr n PHE 31 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.43 3ijr n PHE 31 Cb 0.48 0.00 -0.15 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 -1.81 0.06 -0.33 3.97 2.12 -1.26 -4.22 118.70 117.23 3ijr s GLU 32 Ca 0.23 0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.44 3ijr s GLU 32 Cb 0.17 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 3ijr s GLU 32 CO 0.30 -0.07 0.50 0.34 -0.54 0.00 0.00 175.26 175.79 3ijr s ASP 33 N 0.51 6.32 0.43 -1.70 2.15 -1.26 -4.91 116.67 118.20 3ijr s ASP 33 Ca -0.04 0.07 0.09 0.00 0.43 0.00 0.00 52.55 53.09 3ijr s ASP 33 Cb -0.07 -2.26 0.93 0.00 -0.30 0.00 0.00 42.92 41.22 3ijr s ASP 33 CO -0.01 -0.42 2.06 -0.65 -0.17 0.00 0.00 175.17 175.97 3ijr h PRO 34 N 8.37 0.46 -0.09 4.34 0.11 -2.02 -1.00 132.00 142.17 3ijr h PRO 34 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ijr h PRO 34 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ijr h PRO 34 CO 0.75 0.31 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 3ijr n ASN 35 N -4.48 1.13 -4.70 -2.05 4.13 -1.26 -4.89 115.26 103.13 3ijr n ASN 35 Ca 0.03 -1.55 -0.42 0.00 1.68 0.00 0.00 54.58 54.33 3ijr n ASN 35 Cb 0.10 -0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.26 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 -1.89 3.22 -0.17 3.10 5.04 -0.38 -5.01 117.35 121.26 3ijr s TYR 36 Ca 0.34 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 56.12 3ijr s TYR 36 Cb 0.17 -3.49 0.01 0.00 0.35 0.00 0.00 41.96 39.00 3ijr s TYR 36 CO 0.27 -1.62 -0.17 0.15 -1.34 0.00 0.00 175.55 172.84 3ijr s LYS 37 N 1.70 3.11 0.63 4.97 1.02 -1.26 -5.02 119.74 124.89 3ijr s LYS 37 Ca 0.59 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.66 3ijr s LYS 37 Cb -0.29 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3ijr s LYS 37 CO 0.26 -0.09 1.05 0.20 -0.92 0.00 0.00 175.35 175.86 3ijr s GLY 38 N 1.04 1.94 -0.18 -3.33 0.00 -1.26 -4.99 107.32 100.54 3ijr s GLY 38 Ca -0.01 0.26 0.19 0.00 0.00 0.00 0.00 44.72 45.16 3ijr s GLY 38 CO -0.05 0.57 1.20 -1.14 0.00 0.00 0.00 173.10 173.69 3ijr n SER 39 N -2.43 0.53 -1.80 1.64 3.41 -1.26 -4.99 113.62 108.72 3ijr n SER 39 Ca 0.08 -2.05 -0.18 0.00 -0.26 0.00 0.00 58.87 56.45 3ijr n SER 39 Cb 0.53 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.46 -1.39 0.31 4.33 1.02 -1.26 -4.88 120.64 118.30 3ijr n GLU 40 Ca -0.02 1.01 0.17 0.00 -0.02 0.00 0.00 57.16 58.30 3ijr n GLU 40 Cb 0.89 -5.43 0.99 0.00 -0.02 0.00 0.00 31.44 27.87 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 -0.12 3.49 1.57 -1.91 -2.69 116.57 116.91 3ijr h LYS 41 Ca -0.41 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 3ijr h LYS 41 Cb 1.27 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.30 3ijr h LYS 41 CO 0.53 0.02 -0.87 1.28 -0.57 0.00 0.00 179.45 179.84 3ijr n LEU 42 N -3.54 1.93 -4.69 2.94 4.77 -0.44 -4.59 117.00 113.38 3ijr n LEU 42 Ca -0.03 -2.95 -0.44 0.00 -0.03 0.00 0.00 56.01 52.56 3ijr n LEU 42 Cb 0.11 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3ijr n LEU 42 CO 0.25 0.99 1.41 1.17 -1.33 0.00 0.00 177.39 179.87 3ijr n LYS 43 N -0.24 2.59 -0.23 3.23 4.81 -1.02 -1.35 118.16 125.96 3ijr n LYS 43 Ca 0.13 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 3ijr n LYS 43 Cb 0.95 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 4.04 2.46 3.77 3.14 0.00 -0.47 -4.92 105.19 113.22 3ijr n GLY 44 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 4.20 -0.24 1.61 -0.14 -0.46 -4.81 119.74 119.90 3ijr s LYS 45 Ca 0.00 1.86 -0.08 0.00 -1.36 0.00 0.00 55.97 56.39 3ijr s LYS 45 Cb 0.00 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 3ijr s LYS 45 CO 0.00 -0.20 0.09 -0.80 -0.76 0.00 0.00 175.35 173.68 3ijr s ASN 46 N -1.04 5.45 -0.03 2.83 0.01 -1.26 -0.64 114.94 120.27 3ijr s ASN 46 Ca 0.54 -0.08 0.07 0.00 -0.71 0.00 0.00 52.86 52.68 3ijr s ASN 46 Cb -0.31 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.36 3ijr s ASN 46 CO 0.40 0.02 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.08 3ijr s VAL 47 N 1.27 1.94 -0.17 1.60 1.01 -0.08 -0.68 120.40 125.30 3ijr s VAL 47 Ca 0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3ijr s VAL 47 Cb -0.15 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 3ijr s VAL 47 CO 0.04 0.55 -0.13 -0.22 0.00 0.00 0.00 175.10 175.34 3ijr s LEU 48 N -0.43 2.60 -0.13 3.92 2.96 -0.33 0.48 118.68 127.76 3ijr s LEU 48 Ca 0.05 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3ijr s LEU 48 Cb -0.11 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3ijr s LEU 48 CO 0.00 0.07 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.49 3ijr s ILE 49 N 0.89 1.27 -0.07 6.68 2.07 0.15 -0.43 121.20 131.76 3ijr s ILE 49 Ca -0.03 -0.44 -0.20 0.00 -1.41 0.00 0.00 60.65 58.56 3ijr s ILE 49 Cb -0.15 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.17 3ijr s ILE 49 CO -0.01 0.41 0.56 0.42 -1.91 0.00 0.00 174.94 174.41 3ijr s THR 50 N 1.57 5.06 -0.25 4.00 -4.23 -0.56 -1.39 115.64 119.84 3ijr s THR 50 Ca 0.04 1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3ijr s THR 50 Cb -0.13 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.81 3ijr s THR 50 CO -0.09 0.35 0.01 0.61 -0.54 0.00 0.00 174.62 174.97 3ijr n GLY 51 N 2.91 0.29 0.24 3.99 0.00 0.15 -2.49 105.19 110.27 3ijr n GLY 51 Ca -0.06 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.48 0.17 -0.02 0.00 -1.11 -3.93 105.19 98.83 3ijr n GLY 52 Ca -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 1.05 0.00 -5.31 1.61 2.03 -1.83 -2.74 116.42 111.23 3ijr h ASP 53 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 3ijr h ASP 53 Cb 0.23 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.68 3ijr h ASP 53 CO 0.00 0.29 0.01 -0.94 -1.03 0.00 0.00 179.24 177.57 3ijr s SER 54 N -6.27 0.57 0.68 4.15 1.04 -1.26 -4.03 113.70 108.58 3ijr s SER 54 Ca 0.05 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.11 3ijr s SER 54 Cb 0.07 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.94 3ijr s SER 54 CO 0.72 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3ijr n GLY 55 N -0.56 2.43 0.26 7.32 0.00 -1.26 -1.31 105.19 112.07 3ijr n GLY 55 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 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 1.01 -0.83 -0.61 2.04 -1.89 -2.31 117.51 114.92 3ijr h ILE 56 Ca 0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ijr h ILE 56 Cb 0.00 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 3ijr h ILE 56 CO 0.00 0.14 0.52 1.23 0.00 0.00 0.00 178.15 180.03 3ijr h GLY 57 N 0.74 1.20 0.98 5.37 0.00 -1.58 0.06 103.07 109.84 3ijr h GLY 57 Ca 0.29 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3ijr h GLY 57 CO -0.15 0.47 0.26 -0.09 0.00 0.00 0.00 176.54 177.02 3ijr h ARG 58 N 1.14 0.59 -0.56 4.80 2.43 -0.66 0.77 114.38 122.89 3ijr h ARG 58 Ca 0.30 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3ijr h ARG 58 Cb -0.07 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3ijr h ARG 58 CO -0.06 0.44 0.01 0.00 -1.51 0.00 0.00 179.97 178.85 3ijr h ALA 59 N 1.12 0.97 -0.14 2.80 0.00 -0.89 -2.15 119.26 120.96 3ijr h ALA 59 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ijr h ALA 59 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ijr h ALA 59 CO -0.03 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.13 3ijr h VAL 60 N 0.88 1.25 -0.48 0.00 2.07 -0.81 -1.48 116.25 117.68 3ijr h VAL 60 Ca 0.16 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 66.97 3ijr h VAL 60 Cb 0.50 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 3ijr h VAL 60 CO 0.02 0.24 -0.00 0.28 0.02 0.00 0.00 177.57 178.12 3ijr h SER 61 N -0.02 -0.22 -0.40 0.57 0.02 -0.68 0.05 113.55 112.87 3ijr h SER 61 Ca 0.04 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 3ijr h SER 61 Cb 0.36 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3ijr h SER 61 CO 0.01 -0.07 -0.02 0.40 -1.14 0.00 0.00 176.83 176.01 3ijr h ILE 62 N 0.11 1.26 -0.72 3.27 2.04 -1.34 -1.02 117.51 121.11 3ijr h ILE 62 Ca 0.24 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 3ijr h ILE 62 Cb 0.36 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3ijr h ILE 62 CO -0.41 0.35 0.23 0.00 0.00 0.00 0.00 178.15 178.33 3ijr h ALA 63 N 0.88 0.95 -0.72 1.87 0.00 -0.91 -0.29 119.26 121.03 3ijr h ALA 63 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ijr h ALA 63 Cb 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ijr h ALA 63 CO 0.02 0.62 0.27 0.74 0.00 0.00 0.00 179.25 180.91 3ijr h PHE 64 N 1.06 1.11 -0.45 0.00 -1.00 -0.90 -0.77 116.94 116.01 3ijr h PHE 64 Ca 0.23 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 3ijr h PHE 64 Cb 0.30 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3ijr h PHE 64 CO 0.02 0.86 0.17 0.00 -1.61 0.00 0.00 178.31 177.76 3ijr h ALA 65 N 1.13 0.58 0.00 2.45 0.00 -0.83 -1.32 119.26 121.27 3ijr h ALA 65 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ijr h ALA 65 Cb 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ijr h ALA 65 CO -0.02 0.20 -0.01 0.87 0.00 0.00 0.00 179.25 180.29 3ijr h LYS 66 N 0.58 0.00 -0.54 0.00 1.57 -0.42 0.53 116.57 118.30 3ijr h LYS 66 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ijr h LYS 66 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 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 -3.33 2.26 -0.56 3.15 -0.58 -0.35 -4.23 120.64 117.00 3ijr n GLU 67 Ca -0.03 -1.94 0.00 0.00 -0.42 0.00 0.00 57.16 54.77 3ijr n GLU 67 Cb 0.10 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.35 0.73 3.86 0.62 0.00 0.18 -1.33 105.19 110.60 3ijr n GLY 68 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 3.51 0.03 4.61 0.00 -0.59 -1.36 121.76 125.71 3ijr s ALA 69 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 3ijr s ALA 69 Cb 0.00 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 3ijr s ALA 69 CO 0.00 0.46 0.68 -0.80 0.00 0.00 0.00 175.76 176.10 3ijr s ASN 70 N -2.21 7.11 -0.17 0.00 0.01 0.19 -4.16 114.94 115.71 3ijr s ASN 70 Ca 0.47 1.32 0.01 0.00 -0.71 0.00 0.00 52.86 53.96 3ijr s ASN 70 Cb -0.12 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 39.14 3ijr s ASN 70 CO 0.20 0.07 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.04 3ijr s ILE 71 N -0.20 2.18 -0.25 0.60 -1.09 0.06 -0.90 121.20 121.60 3ijr s ILE 71 Ca 0.35 -0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 57.76 3ijr s ILE 71 Cb -0.20 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 3ijr s ILE 71 CO 0.20 0.53 0.15 0.00 -1.23 0.00 0.00 174.94 174.60 3ijr s ALA 72 N 1.17 3.53 -0.28 9.38 0.00 0.18 -0.81 121.76 134.93 3ijr s ALA 72 Ca 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3ijr s ALA 72 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.70 3ijr s ALA 72 CO -0.09 -0.29 0.01 0.42 0.00 0.00 0.00 175.76 175.80 3ijr s ILE 73 N 1.26 3.34 -0.02 0.00 1.01 0.11 -0.68 121.20 126.21 3ijr s ILE 73 Ca 0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3ijr s ILE 73 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3ijr s ILE 73 CO 0.06 0.07 0.22 0.00 0.00 0.00 0.00 174.94 175.28 3ijr s ALA 74 N 1.38 3.89 0.25 9.38 0.00 -0.49 -0.08 121.76 136.09 3ijr s ALA 74 Ca -0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 3ijr s ALA 74 Cb -0.18 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 20.99 3ijr s ALA 74 CO -0.01 0.68 0.80 1.52 0.00 0.00 0.00 175.76 178.75 3ijr s TYR 75 N -1.26 -0.15 0.00 0.00 -0.85 -0.99 0.30 117.35 114.40 3ijr s TYR 75 Ca 0.25 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 3ijr s TYR 75 Cb -0.13 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.91 3ijr s TYR 75 CO 0.15 -1.13 0.13 -0.11 -1.52 0.00 0.00 175.55 173.08 3ijr n LEU 76 N -0.47 0.06 -0.15 -3.49 7.94 -1.25 -1.08 117.00 118.56 3ijr n LEU 76 Ca -0.05 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 3ijr n LEU 76 Cb 0.60 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.06 3ijr n LEU 76 CO 0.15 -0.49 0.13 -0.90 -1.11 0.00 0.00 177.39 175.17 3ijr n ASP 77 N -1.96 0.00 -4.28 1.96 5.68 -1.26 -1.61 116.55 115.07 3ijr n ASP 77 Ca 0.00 -1.09 -0.43 0.00 -0.50 0.00 0.00 54.79 52.77 3ijr n ASP 77 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 3.16 -0.24 0.11 4.71 -1.26 -4.79 120.64 122.34 3ijr n GLU 78 Ca 0.00 -3.20 -0.05 0.00 -0.01 0.00 0.00 57.16 53.90 3ijr n GLU 78 Cb 0.52 -3.33 0.05 0.00 -1.01 0.00 0.00 31.44 27.66 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 6.94 0.89 0.27 3.49 4.39 -1.98 -0.04 114.58 128.53 3ijr h GLU 79 Ca 0.46 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 3ijr h GLU 79 Cb 0.79 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3ijr h GLU 79 CO 1.56 0.60 -0.13 0.78 -1.16 0.00 0.00 179.01 180.65 3ijr h GLY 80 N 0.91 -0.38 1.00 -3.84 0.00 -1.99 0.20 103.07 98.97 3ijr h GLY 80 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3ijr h GLY 80 CO -0.05 -0.14 0.26 -0.55 0.00 0.00 0.00 176.54 176.06 3ijr h ASP 81 N -0.37 0.45 -0.61 0.19 3.32 -1.84 -0.99 116.42 116.57 3ijr h ASP 81 Ca -0.04 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3ijr h ASP 81 Cb 0.29 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3ijr h ASP 81 CO 0.06 0.32 0.39 0.00 -1.72 0.00 0.00 179.24 178.29 3ijr h ALA 82 N 1.14 0.79 0.00 3.45 0.00 -0.90 -0.81 119.26 122.92 3ijr h ALA 82 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ijr h ALA 82 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ijr h ALA 82 CO -0.03 0.16 -0.36 -0.91 0.00 0.00 0.00 179.25 178.10 3ijr h ASN 83 N 0.78 0.00 -0.48 0.00 -0.26 -0.66 -0.01 115.58 114.95 3ijr h ASN 83 Ca 0.24 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.87 3ijr h ASN 83 Cb -0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 3ijr h ASN 83 CO -0.08 0.36 -0.10 -0.33 -1.06 0.00 0.00 177.43 176.22 3ijr h GLU 84 N 0.00 0.95 -0.26 0.81 5.08 -0.33 -2.67 114.58 118.16 3ijr h GLU 84 Ca -0.00 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 3ijr h GLU 84 Cb 0.68 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ijr h GLU 84 CO 0.05 1.00 -0.31 1.15 -1.00 0.00 0.00 179.01 179.90 3ijr h THR 85 N 0.85 1.31 -0.93 1.13 2.02 -0.70 -2.97 112.91 113.62 3ijr h THR 85 Ca 0.14 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 65.91 3ijr h THR 85 Cb 0.64 1.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.63 3ijr h THR 85 CO 0.04 0.47 0.58 0.50 0.37 0.00 0.00 175.52 177.49 3ijr h LYS 86 N 0.40 0.99 -0.37 6.66 3.64 -0.97 -1.36 116.57 125.56 3ijr h LYS 86 Ca 0.04 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ijr h LYS 86 Cb 0.88 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3ijr h LYS 86 CO 0.07 0.66 0.23 1.96 -2.27 0.00 0.00 179.45 180.10 3ijr h GLN 87 N 1.02 0.50 -0.73 1.90 1.08 -1.34 -0.81 115.11 116.73 3ijr h GLN 87 Ca 0.42 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.53 3ijr h GLN 87 Cb 0.26 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 3ijr h GLN 87 CO -0.20 0.37 0.27 1.88 -0.95 0.00 0.00 178.83 180.19 3ijr h TYR 88 N 0.49 1.15 -0.19 2.96 0.05 -1.26 -1.77 116.97 118.38 3ijr h TYR 88 Ca 0.13 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3ijr h TYR 88 Cb -0.01 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 3ijr h TYR 88 CO -0.04 0.89 0.04 0.28 -1.05 0.00 0.00 178.16 178.28 3ijr h VAL 89 N 1.07 1.22 0.00 -2.88 2.07 -0.98 -3.12 116.25 113.63 3ijr h VAL 89 Ca 0.24 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3ijr h VAL 89 Cb 0.25 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3ijr h VAL 89 CO -0.01 0.22 -0.28 -0.33 0.02 0.00 0.00 177.57 177.18 3ijr h GLU 90 N 0.12 0.00 -0.02 1.57 5.08 -1.02 -1.14 114.58 119.17 3ijr h GLU 90 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3ijr h GLU 90 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ijr h GLU 90 CO 0.00 0.28 0.03 -0.22 -1.00 0.00 0.00 179.01 178.11 3ijr h LYS 91 N 0.00 0.00 -0.18 2.33 3.64 -1.25 0.02 116.57 121.13 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 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3ijr h LYS 91 CO 0.04 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.61 3ijr n GLU 92 N -3.46 1.70 -1.58 1.90 -0.58 -0.43 -4.91 120.64 113.28 3ijr n GLU 92 Ca -0.03 -1.05 -0.07 0.00 -0.42 0.00 0.00 57.16 55.59 3ijr n GLU 92 Cb 0.11 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.10 0.59 3.82 0.62 0.00 -0.01 -4.92 105.19 106.39 3ijr n GLY 93 Ca 0.15 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.31 2.41 0.37 1.61 -7.23 -1.26 -5.08 120.40 108.92 3ijr s VAL 94 Ca 0.00 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.43 3ijr s VAL 94 Cb 0.00 -2.93 -0.10 0.00 0.56 0.00 0.00 36.38 33.91 3ijr s VAL 94 CO 0.00 0.00 0.92 -0.54 -0.31 0.00 0.00 175.10 175.17 3ijr s LYS 95 N -4.04 4.37 -0.02 4.82 1.02 -1.26 -4.47 119.74 120.15 3ijr s LYS 95 Ca 0.44 1.17 -0.01 0.00 0.02 0.00 0.00 55.97 57.59 3ijr s LYS 95 Cb 0.00 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3ijr s LYS 95 CO 0.25 0.14 0.04 0.00 -0.92 0.00 0.00 175.35 174.86 3ijr s VAL 97 N 0.79 1.26 -0.17 0.00 1.01 0.01 -4.99 120.40 118.31 3ijr s VAL 97 Ca -0.06 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3ijr s VAL 97 Cb -0.09 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3ijr s VAL 97 CO -0.03 0.39 0.23 -0.76 0.00 0.00 0.00 175.10 174.93 3ijr s LEU 98 N 0.73 4.23 -0.53 3.92 1.43 -1.26 0.04 118.68 127.24 3ijr s LEU 98 Ca -0.13 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3ijr s LEU 98 Cb -0.16 -2.27 0.16 0.00 0.03 0.00 0.00 46.19 43.95 3ijr s LEU 98 CO 0.03 0.13 0.36 -0.76 0.23 0.00 0.00 176.35 176.34 3ijr s LEU 99 N 0.41 3.15 0.71 1.79 1.43 0.89 -4.93 118.68 122.12 3ijr s LEU 99 Ca 0.13 -3.22 -0.11 0.00 -1.03 0.00 0.00 54.13 49.91 3ijr s LEU 99 Cb -0.12 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.01 3ijr s LEU 99 CO 0.02 -0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.33 3ijr s PRO 100 N -0.42 2.83 0.00 1.29 0.04 -1.26 -2.34 135.00 135.15 3ijr s PRO 100 Ca 0.25 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3ijr s PRO 100 Cb -0.09 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3ijr s PRO 100 CO -0.12 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.16 3ijr n GLY 101 N -1.97 3.95 3.53 0.56 0.00 -0.24 -4.87 105.19 106.15 3ijr n GLY 101 Ca 0.08 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.97 116.67 118.32 3ijr s ASP 102 Ca 0.00 -0.20 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 3ijr s ASP 102 Cb 0.00 -2.33 1.55 0.00 -1.46 0.00 0.00 42.92 40.67 3ijr s ASP 102 CO 0.00 -0.77 1.99 0.18 0.52 0.00 0.00 175.17 177.09 3ijr n LEU 103 N 6.31 0.00 0.07 -1.34 4.77 -1.26 -2.76 117.00 122.79 3ijr n LEU 103 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3ijr n LEU 103 Cb 0.48 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.03 3ijr n LEU 103 CO 0.54 0.00 0.87 -1.54 -1.33 0.00 0.00 177.39 175.92 3ijr n SER 104 N -0.91 0.46 -4.60 -1.43 3.41 -1.26 -4.56 113.62 104.74 3ijr n SER 104 Ca 0.19 0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 58.98 3ijr n SER 104 Cb 0.09 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 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 -3.87 6.37 0.21 4.04 2.15 -1.11 -4.90 116.67 119.56 3ijr s ASP 105 Ca 0.09 0.36 -0.10 0.00 0.43 0.00 0.00 52.55 53.33 3ijr s ASP 105 Cb 0.12 -2.26 0.30 0.00 -0.30 0.00 0.00 42.92 40.78 3ijr s ASP 105 CO 0.47 -0.30 1.69 -0.08 -0.17 0.00 0.00 175.17 176.78 3ijr h GLU 106 N 8.14 0.21 -0.96 4.34 4.81 -1.89 -1.83 114.58 127.40 3ijr h GLU 106 Ca -0.29 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3ijr h GLU 106 Cb 1.14 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3ijr h GLU 106 CO 0.71 0.14 0.64 0.37 -0.73 0.00 0.00 179.01 180.13 3ijr h GLN 107 N 0.22 1.27 -0.48 1.92 5.75 -1.96 -1.81 115.11 120.02 3ijr h GLN 107 Ca 0.32 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 3ijr h GLN 107 Cb 0.50 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3ijr h GLN 107 CO -0.44 0.84 0.13 1.25 -2.65 0.00 0.00 178.83 177.96 3ijr h HIS 108 N 1.31 0.73 -0.95 3.99 2.76 -1.64 0.12 115.15 121.46 3ijr h HIS 108 Ca 0.35 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.48 3ijr h HIS 108 Cb -0.15 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.54 3ijr h HIS 108 CO -0.00 0.61 0.63 0.00 -1.30 0.00 0.00 177.93 177.86 3ijr h LYS 110 N 1.29 0.85 -0.69 0.00 1.57 -0.78 -3.27 116.57 115.54 3ijr h LYS 110 Ca 0.35 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3ijr h LYS 110 Cb -0.14 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3ijr h LYS 110 CO -0.08 1.18 0.34 -0.44 -0.57 0.00 0.00 179.45 179.88 3ijr h ASP 111 N 0.63 0.88 0.21 0.86 3.32 -0.27 -2.17 116.42 119.88 3ijr h ASP 111 Ca 0.01 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3ijr h ASP 111 Cb 1.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3ijr h ASP 111 CO 0.12 0.74 -0.30 0.16 -1.72 0.00 0.00 179.24 178.24 3ijr h ILE 112 N 0.97 1.25 -0.09 0.35 3.07 -1.36 0.13 117.51 121.82 3ijr h ILE 112 Ca 0.24 -1.16 -0.04 0.00 1.55 0.00 0.00 64.86 65.45 3ijr h ILE 112 Cb 0.09 1.52 -0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3ijr h ILE 112 CO -0.03 0.34 -0.11 0.58 -1.05 0.00 0.00 178.15 177.89 3ijr h VAL 113 N 0.13 1.37 -0.88 0.16 2.07 -1.55 -0.59 116.25 116.96 3ijr h VAL 113 Ca 0.02 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3ijr h VAL 113 Cb 0.60 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3ijr h VAL 113 CO 0.04 0.36 0.48 -0.61 0.02 0.00 0.00 177.57 177.87 3ijr h GLN 114 N -0.19 1.24 -0.31 1.57 4.15 -1.08 -1.94 115.11 118.54 3ijr h GLN 114 Ca 0.01 -0.15 -0.14 0.00 0.77 0.00 0.00 58.65 59.15 3ijr h GLN 114 Cb 0.63 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3ijr h GLN 114 CO 0.03 0.90 -0.35 1.49 -1.93 0.00 0.00 178.83 178.97 3ijr h GLU 115 N 1.24 0.71 -0.37 1.69 4.57 -0.73 -0.86 114.58 120.83 3ijr h GLU 115 Ca 0.31 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3ijr h GLU 115 Cb 0.03 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3ijr h GLU 115 CO -0.05 0.96 0.23 1.15 -1.18 0.00 0.00 179.01 180.12 3ijr h THR 116 N 0.59 1.12 -0.59 0.32 2.02 -0.54 -0.87 112.91 114.95 3ijr h THR 116 Ca 0.06 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3ijr h THR 116 Cb 0.88 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3ijr h THR 116 CO 0.08 0.12 0.00 0.58 0.37 0.00 0.00 175.52 176.66 3ijr h VAL 117 N 0.49 1.26 -0.24 3.16 2.07 -1.17 0.23 116.25 122.06 3ijr h VAL 117 Ca 0.13 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3ijr h VAL 117 Cb -0.01 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3ijr h VAL 117 CO -0.03 0.41 0.14 -0.09 0.02 0.00 0.00 177.57 178.03 3ijr h ARG 118 N 0.95 0.32 0.09 1.57 2.43 -0.85 0.27 114.38 119.17 3ijr h ARG 118 Ca 0.17 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.10 3ijr h ARG 118 Cb 0.55 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3ijr h ARG 118 CO 0.03 0.26 -0.89 1.96 -1.51 0.00 0.00 179.97 179.82 3ijr h GLN 119 N 0.29 0.44 0.00 0.20 1.08 -0.99 -3.36 115.11 112.77 3ijr h GLN 119 Ca 0.08 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 3ijr h GLN 119 Cb 0.02 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3ijr h GLN 119 CO -0.02 1.24 -1.01 1.28 -0.95 0.00 0.00 178.83 179.38 3ijr n LEU 120 N -4.05 0.76 0.00 1.46 4.77 0.80 -4.98 117.00 115.76 3ijr n LEU 120 Ca -0.13 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3ijr n LEU 120 Cb 0.83 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3ijr n LEU 120 CO 0.51 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3ijr n GLY 121 N 1.23 2.85 3.86 -0.72 0.00 0.95 -4.98 105.19 108.37 3ijr n GLY 121 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 0.72 0.02 -0.06 1.61 1.04 -1.24 -4.88 113.70 110.91 3ijr s SER 122 Ca 0.00 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 55.54 3ijr s SER 122 Cb 0.00 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3ijr s SER 122 CO 0.00 -1.28 -0.03 -0.22 0.98 0.00 0.00 173.24 172.69 3ijr s LEU 123 N -3.30 1.02 -0.08 2.42 2.96 -1.26 -4.55 118.68 115.90 3ijr s LEU 123 Ca 0.20 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3ijr s LEU 123 Cb -0.04 -0.49 -0.06 0.00 0.50 0.00 0.00 46.19 46.11 3ijr s LEU 123 CO 0.08 -0.12 -0.05 0.59 -1.32 0.00 0.00 176.35 175.53 3ijr n ASN 124 N 4.57 3.39 -3.90 3.68 4.13 0.14 -4.53 115.26 122.74 3ijr n ASN 124 Ca -0.16 -0.03 -0.23 0.00 1.68 0.00 0.00 54.58 55.83 3ijr n ASN 124 Cb 0.50 0.06 -0.17 0.00 -1.54 0.00 0.00 39.78 38.63 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 -2.16 0.77 -0.18 2.41 1.01 -0.63 -1.13 121.20 121.28 3ijr s ILE 125 Ca -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3ijr s ILE 125 Cb 0.03 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 3ijr s ILE 125 CO 0.20 0.30 -0.08 -0.22 0.00 0.00 0.00 174.94 175.14 3ijr s LEU 126 N 1.23 2.86 -0.32 2.97 2.96 -0.39 -1.18 118.68 126.81 3ijr s LEU 126 Ca -0.05 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3ijr s LEU 126 Cb -0.14 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 44.92 3ijr s LEU 126 CO -0.02 0.07 0.04 -0.69 -1.32 0.00 0.00 176.35 174.42 3ijr s VAL 127 N 0.95 2.89 -0.27 1.68 1.01 0.43 -0.54 120.40 126.56 3ijr s VAL 127 Ca -0.01 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 3ijr s VAL 127 Cb -0.15 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3ijr s VAL 127 CO 0.00 -0.27 0.77 0.20 0.00 0.00 0.00 175.10 175.80 3ijr s ASN 128 N 1.32 6.72 0.00 3.32 0.01 0.43 -1.50 114.94 125.25 3ijr s ASN 128 Ca -0.01 0.85 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 3ijr s ASN 128 Cb -0.20 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3ijr s ASN 128 CO -0.03 -0.52 0.00 -3.20 -1.51 0.00 0.00 177.10 171.84 3ijr n ASN 129 N 6.01 0.00 -4.75 -1.22 5.15 -1.13 -0.66 115.26 118.66 3ijr n ASN 129 Ca 0.04 -0.34 -0.37 0.00 -0.60 0.00 0.00 54.58 53.30 3ijr n ASN 129 Cb 0.48 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.77 3ijr n ASN 129 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ijr s VAL 130 N 0.00 2.35 -0.05 3.44 -7.23 -1.04 -4.79 120.40 113.09 3ijr s VAL 130 Ca 0.00 0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.13 3ijr s VAL 130 Cb 0.00 -3.12 0.10 0.00 0.56 0.00 0.00 36.38 33.92 3ijr s VAL 130 CO 0.00 -0.02 0.82 0.00 -0.31 0.00 0.00 175.10 175.58 3ijr s ALA 131 N -1.42 -1.81 0.05 1.32 0.00 -1.26 -4.65 121.76 113.99 3ijr s ALA 131 Ca 0.74 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.96 3ijr s ALA 131 Cb -0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3ijr s ALA 131 CO 0.41 -0.48 -0.11 -0.65 0.00 0.00 0.00 175.76 174.93 3ijr s GLN 132 N -1.95 0.70 -0.04 0.00 -0.21 -1.26 -5.00 119.66 111.89 3ijr s GLN 132 Ca -0.03 -0.83 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 3ijr s GLN 132 Cb -0.01 -0.61 0.02 0.00 1.00 0.00 0.00 33.01 33.41 3ijr s GLN 132 CO -0.00 0.13 0.11 1.14 -2.12 0.00 0.00 175.29 174.55 3ijr s GLN 133 N -1.56 0.10 -0.42 2.91 -2.07 -1.26 -4.90 119.66 112.46 3ijr s GLN 133 Ca -0.05 0.20 0.02 0.00 -1.82 0.00 0.00 55.36 53.71 3ijr s GLN 133 Cb -0.10 -0.02 0.13 0.00 -1.09 0.00 0.00 33.01 31.93 3ijr s GLN 133 CO 0.01 -0.06 0.21 0.71 -1.32 0.00 0.00 175.29 174.84 3ijr s TYR 134 N 0.40 2.03 0.46 9.60 2.02 -1.26 -4.78 117.35 125.82 3ijr s TYR 134 Ca -0.03 -2.35 -0.25 0.00 -0.37 0.00 0.00 57.07 54.07 3ijr s TYR 134 Cb -0.04 -1.92 -0.08 0.00 -0.40 0.00 0.00 41.96 39.51 3ijr s TYR 134 CO -0.02 -0.80 1.42 -2.30 -1.57 0.00 0.00 175.55 172.28 3ijr n PRO 135 N 3.77 2.18 -3.91 -1.71 -0.02 -1.26 -4.91 135.00 129.14 3ijr n PRO 135 Ca 0.07 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3ijr n PRO 135 Cb 0.36 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 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 -2.47 0.46 0.35 -0.52 -1.52 -0.52 -5.04 119.66 110.41 3ijr s GLN 136 Ca 0.62 -0.53 0.27 0.00 -1.95 0.00 0.00 55.36 53.77 3ijr s GLN 136 Cb -0.45 0.19 1.07 0.00 -0.22 0.00 0.00 33.01 33.59 3ijr s GLN 136 CO 0.57 -0.11 1.80 1.96 -0.25 0.00 0.00 175.29 179.26 3ijr h GLN 137 N 4.23 0.00 -1.91 2.91 4.20 -1.91 -3.40 115.11 119.23 3ijr h GLN 137 Ca -0.31 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.63 3ijr h GLN 137 Cb 1.20 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.86 3ijr h GLN 137 CO 0.43 0.00 0.65 0.20 -0.67 0.00 0.00 178.83 179.43 3ijr s GLY 138 N -3.77 -0.34 0.41 3.46 0.00 -1.26 -4.91 107.32 100.92 3ijr s GLY 138 Ca 0.04 0.62 0.11 0.00 0.00 0.00 0.00 44.72 45.49 3ijr s GLY 138 CO 0.47 0.15 1.98 -2.00 0.00 0.00 0.00 173.10 173.70 3ijr h LEU 139 N 2.00 0.47 -1.53 0.66 5.85 -1.89 -1.68 115.31 119.19 3ijr h LEU 139 Ca -0.24 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ijr h LEU 139 Cb 1.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3ijr h LEU 139 CO 0.27 0.29 0.00 1.05 -0.34 0.00 0.00 178.44 179.71 3ijr h GLU 140 N 0.53 0.00 -0.56 1.25 9.09 -2.00 -1.47 114.58 121.42 3ijr h GLU 140 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3ijr h GLU 140 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 3ijr h GLU 140 CO -0.08 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.64 3ijr n TYR 141 N -2.46 0.74 -3.40 2.06 4.02 -0.63 -4.83 117.16 112.66 3ijr n TYR 141 Ca -0.01 -0.37 -0.43 0.00 -0.01 0.00 0.00 57.90 57.08 3ijr n TYR 141 Cb 0.11 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 -1.26 5.20 0.69 -0.72 1.01 -0.56 -4.99 121.20 120.57 3ijr s ILE 142 Ca 0.44 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3ijr s ILE 142 Cb 0.24 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3ijr s ILE 142 CO 0.32 -0.40 1.06 0.42 0.00 0.00 0.00 174.94 176.34 3ijr s THR 143 N 1.82 4.05 0.30 2.92 -4.23 -1.26 -4.89 115.64 114.36 3ijr s THR 143 Ca 0.07 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.24 3ijr s THR 143 Cb -0.19 -3.46 0.23 0.00 1.34 0.00 0.00 72.50 70.42 3ijr s THR 143 CO 0.10 -0.87 1.94 0.00 -0.54 0.00 0.00 174.62 175.25 3ijr h ALA 144 N -0.68 1.38 -0.17 3.99 0.00 -1.99 -1.38 119.26 120.42 3ijr h ALA 144 Ca -0.44 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3ijr h ALA 144 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ijr h ALA 144 CO 0.58 0.52 0.05 1.49 0.00 0.00 0.00 179.25 181.89 3ijr h GLU 145 N 0.98 0.13 -0.24 0.00 4.81 -1.99 -0.23 114.58 118.04 3ijr h GLU 145 Ca 0.25 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3ijr h GLU 145 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3ijr h GLU 145 CO -0.04 0.09 0.12 0.37 -0.73 0.00 0.00 179.01 178.81 3ijr h GLN 146 N 0.13 0.35 -0.24 1.92 4.15 -1.85 -0.95 115.11 118.62 3ijr h GLN 146 Ca 0.07 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.50 3ijr h GLN 146 Cb 0.05 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 3ijr h GLN 146 CO -0.08 0.35 -0.13 1.25 -1.93 0.00 0.00 178.83 178.29 3ijr h LEU 147 N 0.26 -0.43 -0.43 -2.39 5.85 -1.07 0.49 115.31 117.59 3ijr h LEU 147 Ca 0.08 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3ijr h LEU 147 Cb 0.12 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3ijr h LEU 147 CO -0.01 -0.17 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.28 3ijr h GLU 148 N -0.11 0.96 -0.40 1.25 5.08 -0.96 -1.85 114.58 118.56 3ijr h GLU 148 Ca 0.13 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3ijr h GLU 148 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3ijr h GLU 148 CO -0.31 1.13 0.26 -0.22 -1.00 0.00 0.00 179.01 178.87 3ijr h LYS 149 N 0.80 0.54 -0.50 2.33 3.64 -0.90 0.82 116.57 123.30 3ijr h LYS 149 Ca 0.08 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3ijr h LYS 149 Cb 0.90 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3ijr h LYS 149 CO 0.08 0.37 0.32 1.15 -2.27 0.00 0.00 179.45 179.11 3ijr h THR 150 N 0.54 1.11 -0.39 1.00 2.02 -0.72 -2.51 112.91 113.96 3ijr h THR 150 Ca 0.15 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 3ijr h THR 150 Cb -0.04 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3ijr h THR 150 CO -0.03 0.12 -0.31 -0.26 0.37 0.00 0.00 175.52 175.41 3ijr h PHE 151 N 0.65 1.06 -0.80 3.16 -1.00 -1.06 -1.32 116.94 117.63 3ijr h PHE 151 Ca 0.19 -0.30 0.02 0.00 2.81 0.00 0.00 57.97 60.68 3ijr h PHE 151 Cb -0.06 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.23 3ijr h PHE 151 CO -0.05 1.11 0.53 -0.09 -1.61 0.00 0.00 178.31 178.19 3ijr h ARG 152 N 0.71 1.03 0.14 1.51 2.43 -0.58 -1.24 114.38 118.37 3ijr h ARG 152 Ca 0.07 -0.06 -0.27 0.00 -0.81 0.00 0.00 59.98 58.91 3ijr h ARG 152 Cb 0.89 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3ijr h ARG 152 CO 0.08 0.68 -1.31 0.97 -1.51 0.00 0.00 179.97 178.88 3ijr h ILE 153 N 1.06 1.16 -0.01 1.20 6.09 -1.48 -2.45 117.51 123.06 3ijr h ILE 153 Ca 0.30 -2.47 -0.16 0.00 -1.37 0.00 0.00 64.86 61.16 3ijr h ILE 153 Cb -0.08 2.86 -0.02 0.00 0.47 0.00 0.00 36.82 40.06 3ijr h ILE 153 CO -0.08 0.73 -0.74 0.78 -3.07 0.00 0.00 178.15 175.77 3ijr h ASN 154 N -0.25 0.12 0.00 2.19 4.21 -1.24 -3.36 115.58 117.25 3ijr h ASN 154 Ca -0.27 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.16 3ijr h ASN 154 Cb 1.80 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.96 3ijr h ASN 154 CO 0.11 0.81 -0.66 0.00 -1.29 0.00 0.00 177.43 176.40 3ijr n ILE 155 N -3.71 0.00 -0.02 2.81 0.13 -0.61 -4.62 119.36 113.35 3ijr n ILE 155 Ca -0.02 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.66 3ijr n ILE 155 Cb 0.71 -0.62 0.39 0.00 -0.84 0.00 0.00 39.64 39.29 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 0.55 -0.18 9.51 0.04 -1.29 -1.18 116.94 124.39 3ijr h PHE 156 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 3ijr h PHE 156 Cb 0.66 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3ijr h PHE 156 CO 0.00 0.37 -0.32 0.66 -0.60 0.00 0.00 178.31 178.42 3ijr h SER 157 N 0.58 0.37 -0.62 2.17 4.64 -1.58 0.97 113.55 120.08 3ijr h SER 157 Ca 0.15 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3ijr h SER 157 Cb -0.01 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3ijr h SER 157 CO -0.03 0.67 0.16 1.88 -0.87 0.00 0.00 176.83 178.65 3ijr h TYR 158 N 0.31 1.02 0.16 4.77 -1.99 -1.49 -0.13 116.97 119.63 3ijr h TYR 158 Ca 0.04 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3ijr h TYR 158 Cb 0.72 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.16 3ijr h TYR 158 CO 0.02 0.85 -0.08 0.74 -0.00 0.00 0.00 178.16 179.69 3ijr h PHE 159 N 0.90 -0.20 -0.36 4.88 0.04 -0.66 -2.58 116.94 118.96 3ijr h PHE 159 Ca 0.20 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 3ijr h PHE 159 Cb 0.33 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3ijr h PHE 159 CO 0.02 -0.02 0.01 0.45 -0.60 0.00 0.00 178.31 178.17 3ijr h HIS 160 N -0.34 0.69 -0.20 -0.55 3.86 -0.62 -0.38 115.15 117.61 3ijr h HIS 160 Ca -0.02 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3ijr h HIS 160 Cb 0.27 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3ijr h HIS 160 CO -0.03 0.73 0.02 0.28 0.86 0.00 0.00 177.93 179.79 3ijr h VAL 161 N 0.46 1.23 -0.57 2.45 2.07 -1.13 -1.97 116.25 118.79 3ijr h VAL 161 Ca 0.10 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3ijr h VAL 161 Cb 0.45 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3ijr h VAL 161 CO 0.02 0.24 0.29 0.74 0.02 0.00 0.00 177.57 178.88 3ijr h THR 162 N 0.12 1.20 -0.68 2.57 2.02 -1.43 -0.67 112.91 116.05 3ijr h THR 162 Ca 0.06 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.76 3ijr h THR 162 Cb 0.34 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 3ijr h THR 162 CO 0.01 0.22 0.39 0.50 0.37 0.00 0.00 175.52 177.00 3ijr h LYS 163 N 0.76 0.71 -0.11 6.66 3.64 -0.96 -1.20 116.57 126.06 3ijr h LYS 163 Ca 0.20 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3ijr h LYS 163 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3ijr h LYS 163 CO -0.03 0.47 -0.48 0.00 -2.27 0.00 0.00 179.45 177.14 3ijr h ALA 164 N 1.34 0.98 0.00 5.00 0.00 -0.95 -2.93 119.26 122.70 3ijr h ALA 164 Ca 0.30 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3ijr h ALA 164 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ijr h ALA 164 CO -0.16 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.33 3ijr h ALA 165 N 1.27 1.33 -0.96 0.00 0.00 -0.02 -3.31 119.26 117.57 3ijr h ALA 165 Ca 0.01 -0.36 0.21 0.00 0.00 0.00 0.00 54.91 54.77 3ijr h ALA 165 Cb 0.93 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 3ijr h ALA 165 CO 0.08 0.50 0.54 -0.07 0.00 0.00 0.00 179.25 180.30 3ijr h LEU 166 N 0.00 0.62 0.00 0.00 3.38 -1.07 0.13 115.31 118.37 3ijr h LEU 166 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ijr h LEU 166 Cb 0.71 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ijr h LEU 166 CO 0.05 0.15 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 3ijr n SER 167 N -4.88 0.00 -0.00 -0.43 3.41 -1.25 -2.52 113.62 107.95 3ijr n SER 167 Ca 0.24 0.22 0.05 0.00 -0.26 0.00 0.00 58.87 59.11 3ijr n SER 167 Cb 0.64 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.35 0.00 -3.46 7.33 8.25 0.40 -5.00 115.22 121.39 3ijr n HIS 168 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 3ijr n HIS 168 Cb 0.12 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.67 4.44 0.00 2.41 1.43 -1.00 -4.54 118.68 118.75 3ijr s LEU 169 Ca 0.02 0.99 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 3ijr s LEU 169 Cb 0.07 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 3ijr s LEU 169 CO 0.40 0.25 0.18 2.29 0.23 0.00 0.00 176.35 179.70 3ijr n LYS 170 N 1.46 0.36 -1.56 1.70 2.85 -1.26 -4.98 118.16 116.72 3ijr n LYS 170 Ca -0.11 -2.32 -0.53 0.00 -1.05 0.00 0.00 58.31 54.30 3ijr n LYS 170 Cb 0.52 1.78 -0.06 0.00 -0.65 0.00 0.00 35.03 36.62 3ijr n LYS 170 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3ijr n GLN 171 N -0.48 0.85 -0.01 -1.58 6.02 -1.18 -0.96 117.38 120.06 3ijr n GLN 171 Ca 0.04 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3ijr n GLN 171 Cb 0.42 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3ijr n GLN 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ijr n GLY 172 N 2.22 0.83 3.92 1.08 0.00 0.67 -4.99 105.19 108.92 3ijr n GLY 172 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.57 4.96 -0.07 1.61 1.01 -0.13 -4.95 116.67 116.53 3ijr s ASP 173 Ca 0.00 0.57 -0.11 0.00 0.71 0.00 0.00 52.55 53.72 3ijr s ASP 173 Cb 0.00 -1.28 0.02 0.00 1.01 0.00 0.00 42.92 42.68 3ijr s ASP 173 CO 0.00 -1.52 0.28 -0.69 0.21 0.00 0.00 175.17 173.45 3ijr s VAL 174 N -3.24 0.03 -0.08 -1.27 1.01 -0.28 -2.26 120.40 114.30 3ijr s VAL 174 Ca 0.59 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3ijr s VAL 174 Cb -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3ijr s VAL 174 CO 0.46 -0.12 -0.21 -0.63 0.00 0.00 0.00 175.10 174.60 3ijr s ILE 175 N -0.45 1.77 -0.07 2.22 1.01 -0.01 -1.27 121.20 124.41 3ijr s ILE 175 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3ijr s ILE 175 Cb -0.04 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3ijr s ILE 175 CO 0.02 0.50 -0.17 -0.63 0.00 0.00 0.00 174.94 174.66 3ijr s ILE 176 N 0.28 1.45 -0.13 2.92 1.01 0.30 -1.47 121.20 125.55 3ijr s ILE 176 Ca -0.13 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3ijr s ILE 176 Cb -0.16 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3ijr s ILE 176 CO 0.06 0.42 -0.16 0.20 0.00 0.00 0.00 174.94 175.46 3ijr s ASN 177 N 0.37 3.70 -0.23 3.58 0.01 -0.46 -0.43 114.94 121.49 3ijr s ASN 177 Ca -0.12 -0.42 -0.25 0.00 -0.71 0.00 0.00 52.86 51.36 3ijr s ASN 177 Cb -0.15 -1.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.96 3ijr s ASN 177 CO 0.04 0.14 0.85 -0.89 -1.51 0.00 0.00 177.10 175.74 3ijr s THR 178 N 0.50 4.82 0.00 1.60 2.01 0.16 -2.04 115.64 122.70 3ijr s THR 178 Ca -0.11 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3ijr s THR 178 Cb -0.16 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.21 3ijr s THR 178 CO 0.05 -0.08 0.00 0.00 -0.69 0.00 0.00 174.62 173.90 3ijr n ALA 179 N 5.98 0.00 -3.63 7.40 0.00 0.23 -4.86 120.51 125.62 3ijr n ALA 179 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 3ijr n ALA 179 Cb 0.47 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 -0.60 -0.08 0.55 0.00 0.15 -1.26 -4.47 113.70 107.99 3ijr s SER 180 Ca 0.00 0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.98 3ijr s SER 180 Cb 0.00 0.07 1.44 0.00 -1.71 0.00 0.00 66.02 65.82 3ijr s SER 180 CO 0.00 -0.08 2.01 -0.29 1.20 0.00 0.00 173.24 176.08 3ijr h ILE 181 N 2.10 0.66 0.00 6.45 2.10 -1.57 -2.23 117.51 125.02 3ijr h ILE 181 Ca -0.09 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.84 3ijr h ILE 181 Cb 1.18 0.76 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 3ijr h ILE 181 CO 0.23 0.00 -0.08 -0.37 -1.08 0.00 0.00 178.15 176.85 3ijr h VAL 182 N 0.00 0.36 0.00 2.19 -1.51 -1.86 -0.54 116.25 114.88 3ijr h VAL 182 Ca 0.20 -0.45 -0.05 0.00 -1.23 0.00 0.00 66.70 65.17 3ijr h VAL 182 Cb 0.88 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 3ijr h VAL 182 CO -0.00 0.08 -0.25 0.00 -1.23 0.00 0.00 177.57 176.16 3ijr h ALA 183 N 1.92 1.17 0.01 5.19 0.00 -1.63 -0.02 119.26 125.90 3ijr h ALA 183 Ca -0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 54.91 54.30 3ijr h ALA 183 Cb 0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ijr h ALA 183 CO 0.01 0.32 -2.37 0.66 0.00 0.00 0.00 179.25 177.87 3ijr n TYR 184 N -3.64 0.15 -0.01 0.00 4.01 -0.35 -4.63 117.16 112.70 3ijr n TYR 184 Ca -0.01 0.04 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 3ijr n TYR 184 Cb 0.38 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.26 3ijr n TYR 184 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ijr n GLU 185 N -3.09 0.50 0.00 -0.72 1.02 -0.40 -5.08 120.64 112.88 3ijr n GLU 185 Ca -0.39 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 3ijr n GLU 185 Cb 1.06 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3ijr n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ijr n GLY 186 N 1.61 -2.08 2.94 0.62 0.00 -0.02 -5.01 105.19 103.24 3ijr n GLY 186 Ca -0.03 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.40 0.51 0.55 1.61 3.84 -1.26 -4.78 114.94 112.01 3ijr s ASN 187 Ca 0.00 0.29 0.23 0.00 0.21 0.00 0.00 52.86 53.59 3ijr s ASN 187 Cb 0.00 0.85 1.48 0.00 -0.55 0.00 0.00 41.25 43.04 3ijr s ASN 187 CO 0.00 -0.28 2.12 1.05 -2.79 0.00 0.00 177.10 177.20 3ijr h GLU 188 N 8.24 0.00 -0.14 0.43 4.11 -1.97 -1.91 114.58 123.34 3ijr h GLU 188 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 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 -4.21 0.16 -2.90 -1.06 -2.24 -1.26 -4.44 114.28 98.32 3ijr n THR 189 Ca 0.01 -0.54 -0.17 0.00 -2.27 0.00 0.00 64.05 61.08 3ijr n THR 189 Cb 0.25 1.19 -0.01 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 1.22 1.89 -0.12 3.22 4.77 -0.72 -1.43 117.00 125.82 3ijr n LEU 190 Ca 0.16 -4.66 -0.09 0.00 -0.03 0.00 0.00 56.01 51.39 3ijr n LEU 190 Cb 0.56 0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.98 3ijr n LEU 190 CO 0.15 2.04 0.91 0.40 -1.33 0.00 0.00 177.39 179.56 3ijr h ILE 191 N 2.11 1.20 -0.11 -0.08 2.04 -1.77 0.17 117.51 121.06 3ijr h ILE 191 Ca 0.05 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3ijr h ILE 191 Cb 0.98 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3ijr h ILE 191 CO 0.58 0.22 -0.02 -2.24 0.00 0.00 0.00 178.15 176.68 3ijr h ASP 192 N 0.45 0.21 -0.49 1.72 2.03 -1.92 -2.18 116.42 116.24 3ijr h ASP 192 Ca 0.12 -0.35 0.04 0.00 -0.73 0.00 0.00 57.03 56.11 3ijr h ASP 192 Cb 0.20 -0.06 -0.04 0.00 -0.83 0.00 0.00 39.33 38.60 3ijr h ASP 192 CO -0.01 0.51 0.25 0.22 -1.03 0.00 0.00 179.24 179.18 3ijr h TYR 193 N -0.10 0.45 -0.53 4.15 3.20 -1.90 -1.44 116.97 120.80 3ijr h TYR 193 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3ijr h TYR 193 Cb 0.42 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3ijr h TYR 193 CO 0.05 0.22 0.18 0.66 -1.64 0.00 0.00 178.16 177.64 3ijr h SER 194 N 0.49 0.70 -0.69 -2.11 4.64 -0.64 -1.53 113.55 114.41 3ijr h SER 194 Ca 0.21 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3ijr h SER 194 Cb 0.12 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3ijr h SER 194 CO -0.15 0.66 0.34 0.00 -0.87 0.00 0.00 176.83 176.81 3ijr h ALA 195 N 1.45 0.89 -0.32 5.18 0.00 -0.70 0.20 119.26 125.97 3ijr h ALA 195 Ca 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3ijr h ALA 195 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ijr h ALA 195 CO -0.01 0.45 -0.10 1.79 0.00 0.00 0.00 179.25 181.38 3ijr h THR 196 N 0.96 1.23 -0.16 0.00 1.35 -0.44 -1.28 112.91 114.57 3ijr h THR 196 Ca 0.24 -0.99 -0.16 0.00 -0.55 0.00 0.00 66.41 64.95 3ijr h THR 196 Cb 0.11 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 3ijr h THR 196 CO -0.03 0.33 -0.56 0.11 -0.25 0.00 0.00 175.52 175.12 3ijr h LYS 197 N 0.50 0.49 -0.58 4.72 1.79 -0.61 -1.24 116.57 121.63 3ijr h LYS 197 Ca 0.09 -0.32 -0.06 0.00 -2.18 0.00 0.00 60.65 58.19 3ijr h LYS 197 Cb 0.47 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3ijr h LYS 197 CO 0.03 0.92 0.12 0.78 -1.08 0.00 0.00 179.45 180.21 3ijr h GLY 198 N 1.13 0.99 1.10 3.86 0.00 -0.68 -1.76 103.07 107.72 3ijr h GLY 198 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3ijr h GLY 198 CO 0.10 0.57 0.43 0.00 0.00 0.00 0.00 176.54 177.64 3ijr h ALA 199 N 1.24 1.19 -0.60 3.60 0.00 -0.90 -2.12 119.26 121.67 3ijr h ALA 199 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ijr h ALA 199 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ijr h ALA 199 CO 0.00 0.63 0.12 0.82 0.00 0.00 0.00 179.25 180.83 3ijr h ILE 200 N 1.17 1.25 -0.05 0.00 2.04 -0.79 0.17 117.51 121.30 3ijr h ILE 200 Ca 0.29 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3ijr h ILE 200 Cb 0.07 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3ijr h ILE 200 CO -0.04 0.35 -0.02 0.58 0.00 0.00 0.00 178.15 179.02 3ijr h VAL 201 N 0.89 0.92 -0.67 1.67 2.07 -1.03 0.11 116.25 120.20 3ijr h VAL 201 Ca 0.19 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 3ijr h VAL 201 Cb 0.39 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3ijr h VAL 201 CO 0.01 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.72 3ijr h ALA 202 N 1.03 0.89 -0.50 1.67 0.00 -1.26 -1.84 119.26 119.25 3ijr h ALA 202 Ca 0.03 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3ijr h ALA 202 Cb 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3ijr h ALA 202 CO -0.06 0.65 0.16 0.35 0.00 0.00 0.00 179.25 180.34 3ijr h PHE 203 N 1.03 0.27 -0.42 0.00 3.57 -0.67 -0.41 116.94 120.31 3ijr h PHE 203 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3ijr h PHE 203 Cb 0.42 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3ijr h PHE 203 CO 0.03 0.07 0.27 1.15 -2.23 0.00 0.00 178.31 177.60 3ijr h THR 204 N 0.32 1.09 -0.21 4.41 2.02 -0.30 0.42 112.91 120.66 3ijr h THR 204 Ca 0.24 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3ijr h THR 204 Cb 0.28 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3ijr h THR 204 CO -0.27 0.10 0.03 0.03 0.37 0.00 0.00 175.52 175.78 3ijr h ARG 205 N 0.55 0.35 -0.50 6.66 3.08 -1.04 -1.60 114.38 121.86 3ijr h ARG 205 Ca 0.16 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 3ijr h ARG 205 Cb -0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3ijr h ARG 205 CO -0.05 0.50 -0.08 0.77 -1.07 0.00 0.00 179.97 180.04 3ijr h SER 206 N 0.14 0.94 -0.28 7.04 0.02 -0.89 -2.98 113.55 117.55 3ijr h SER 206 Ca 0.06 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 3ijr h SER 206 Cb 0.32 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3ijr h SER 206 CO 0.00 1.06 -0.20 0.25 -1.14 0.00 0.00 176.83 176.80 3ijr h LEU 207 N 0.80 0.75 -0.84 5.07 5.85 -0.92 -0.45 115.31 125.56 3ijr h LEU 207 Ca 0.13 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3ijr h LEU 207 Cb 0.63 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3ijr h LEU 207 CO 0.04 0.94 0.54 0.77 -0.34 0.00 0.00 178.44 180.39 3ijr h SER 208 N 0.65 0.89 -0.05 1.25 4.64 -1.18 -0.88 113.55 118.88 3ijr h SER 208 Ca 0.10 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 3ijr h SER 208 Cb 0.70 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3ijr h SER 208 CO 0.05 0.60 -0.57 1.56 -0.87 0.00 0.00 176.83 177.60 3ijr h GLN 209 N 1.04 0.64 -0.95 4.77 1.08 -1.34 -1.96 115.11 118.40 3ijr h GLN 209 Ca 0.34 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3ijr h GLN 209 Cb 0.03 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 3ijr h GLN 209 CO -0.12 1.04 0.61 1.03 -0.95 0.00 0.00 178.83 180.43 3ijr h SER 210 N 0.49 1.11 -0.08 1.46 0.87 -0.35 -3.28 113.55 113.77 3ijr h SER 210 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3ijr h SER 210 Cb 1.14 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3ijr h SER 210 CO 0.11 0.82 0.00 0.18 -0.53 0.00 0.00 176.83 177.41 3ijr n LEU 211 N -4.40 2.71 -0.24 2.23 4.77 -0.40 -4.57 117.00 117.08 3ijr n LEU 211 Ca 0.11 -1.09 -0.02 0.00 -0.03 0.00 0.00 56.01 54.97 3ijr n LEU 211 Cb 0.03 -0.04 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 3ijr n LEU 211 CO 0.37 0.49 1.16 1.62 -1.33 0.00 0.00 177.39 179.70 3ijr h VAL 212 N 3.77 1.23 0.00 4.08 3.04 -1.41 0.71 116.25 127.67 3ijr h VAL 212 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3ijr h VAL 212 Cb 0.82 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3ijr h VAL 212 CO 0.00 0.25 0.00 0.00 -1.01 0.00 0.00 177.57 176.81 3ijr n GLN 213 N -4.35 0.06 0.00 4.17 6.02 -1.26 -1.84 117.38 120.18 3ijr n GLN 213 Ca 0.08 0.16 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 3ijr n GLN 213 Cb 0.10 -1.59 0.59 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.69 1.49 -1.57 -1.09 5.02 0.23 -4.93 118.16 115.61 3ijr n LYS 214 Ca 0.05 -0.77 -0.07 0.00 -2.02 0.00 0.00 58.31 55.51 3ijr n LYS 214 Cb 0.28 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.16 0.59 3.33 0.72 0.00 -0.77 -3.09 105.19 107.13 3ijr n GLY 215 Ca 0.19 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.30 3.61 0.27 -0.61 1.01 -1.15 -0.24 121.20 121.79 3ijr s ILE 216 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 3ijr s ILE 216 Cb 0.00 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 3ijr s ILE 216 CO 0.00 0.32 0.65 -0.13 0.00 0.00 0.00 174.94 175.78 3ijr s ARG 217 N 1.49 3.94 -0.06 2.79 0.52 -0.96 -4.14 118.95 122.53 3ijr s ARG 217 Ca 0.05 0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.75 3ijr s ARG 217 Cb -0.15 -2.58 0.03 0.00 0.52 0.00 0.00 34.95 32.77 3ijr s ARG 217 CO -0.01 0.26 0.04 0.08 0.02 0.00 0.00 175.30 175.69 3ijr s VAL 218 N -1.85 0.08 0.29 3.52 1.01 -1.26 -0.83 120.40 121.36 3ijr s VAL 218 Ca 0.50 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.76 3ijr s VAL 218 Cb -0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3ijr s VAL 218 CO 0.19 0.16 0.28 0.20 0.00 0.00 0.00 175.10 175.93 3ijr s ASN 219 N 2.09 1.05 0.22 3.32 0.01 -0.54 0.23 114.94 121.32 3ijr s ASN 219 Ca 0.05 -1.58 0.00 0.00 -0.71 0.00 0.00 52.86 50.62 3ijr s ASN 219 Cb -0.13 0.52 -0.05 0.00 0.41 0.00 0.00 41.25 42.01 3ijr s ASN 219 CO -0.04 -1.04 0.10 -0.83 -1.51 0.00 0.00 177.10 173.77 3ijr s GLY 220 N -3.28 1.52 -0.07 0.66 0.00 0.77 -1.35 107.32 105.58 3ijr s GLY 220 Ca 0.38 -1.75 0.03 0.00 0.00 0.00 0.00 44.72 43.38 3ijr s GLY 220 CO 0.21 -1.50 -0.15 0.14 0.00 0.00 0.00 173.10 171.80 3ijr s VAL 221 N -3.91 1.34 -0.54 1.40 1.01 -0.86 -1.20 120.40 117.63 3ijr s VAL 221 Ca 0.36 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3ijr s VAL 221 Cb 0.07 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.39 3ijr s VAL 221 CO 0.11 0.40 0.34 0.00 0.00 0.00 0.00 175.10 175.95 3ijr s ALA 222 N 0.53 3.41 0.68 5.51 0.00 0.01 -0.60 121.76 131.29 3ijr s ALA 222 Ca -0.14 -2.99 -0.12 0.00 0.00 0.00 0.00 51.96 48.71 3ijr s ALA 222 Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.42 3ijr s ALA 222 CO 0.05 -1.99 1.06 -2.14 0.00 0.00 0.00 175.76 172.74 3ijr s PRO 223 N 0.38 2.98 0.00 0.00 0.02 -1.26 -2.56 135.00 134.55 3ijr s PRO 223 Ca 0.14 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.17 3ijr s PRO 223 Cb -0.21 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3ijr s PRO 223 CO -0.04 -1.07 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 3ijr n GLY 224 N -1.76 1.74 3.61 0.52 0.00 -0.39 -1.88 105.19 107.04 3ijr n GLY 224 Ca 0.08 -1.82 -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 3.69 -0.05 1.61 0.04 -1.26 -4.93 135.00 137.50 3ijr s PRO 225 Ca 0.00 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.17 3ijr s PRO 225 Cb 0.00 -3.98 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 3ijr s PRO 225 CO 0.00 -1.42 -0.21 0.42 0.04 0.00 0.00 177.00 175.83 3ijr s ILE 226 N 5.12 2.41 -0.65 0.56 -1.09 -1.26 -0.34 121.20 125.94 3ijr s ILE 226 Ca 0.61 -0.95 -0.26 0.00 -2.23 0.00 0.00 60.65 57.81 3ijr s ILE 226 Cb -0.15 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.82 3ijr s ILE 226 CO 0.30 0.57 1.77 0.86 -1.23 0.00 0.00 174.94 177.21 3ijr s TRP 227 N -0.39 1.77 0.19 3.97 -0.00 -0.36 -4.84 118.94 119.27 3ijr s TRP 227 Ca 0.04 0.63 -0.04 0.00 -0.00 0.00 0.00 56.10 56.73 3ijr s TRP 227 Cb -0.12 -4.18 -0.03 0.00 -0.00 0.00 0.00 33.47 29.14 3ijr s TRP 227 CO 0.02 -2.24 0.19 0.95 -0.00 0.00 0.00 176.95 175.86 3ijr s THR 228 N 8.57 0.03 0.21 5.86 -4.23 -1.26 -4.46 115.64 120.36 3ijr s THR 228 Ca 0.62 -1.82 0.32 0.00 -1.18 0.00 0.00 61.69 59.63 3ijr s THR 228 Cb -0.11 -2.29 0.32 0.00 1.34 0.00 0.00 72.50 71.75 3ijr s THR 228 CO 0.18 -0.12 1.98 -0.65 -0.54 0.00 0.00 174.62 175.47 3ijr h PRO 229 N 2.60 0.00 -0.16 3.99 0.11 -1.90 -2.00 132.00 134.65 3ijr h PRO 229 Ca -0.34 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 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ijr h PRO 229 CO 0.51 0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 179.49 3ijr h LEU 230 N 0.00 0.21 0.16 2.35 5.85 -1.93 -3.00 115.31 118.96 3ijr h LEU 230 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3ijr h LEU 230 Cb 0.03 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3ijr h LEU 230 CO 0.00 0.30 -0.08 0.40 -0.34 0.00 0.00 178.44 178.73 3ijr h ILE 231 N 0.23 0.00 0.00 4.05 1.08 -1.68 -2.53 117.51 118.65 3ijr h ILE 231 Ca 0.05 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3ijr h ILE 231 Cb 0.25 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 3ijr h ILE 231 CO 0.01 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.66 3ijr n PRO 232 N -3.26 0.01 0.00 2.37 -0.04 -1.26 -1.29 135.00 131.54 3ijr n PRO 232 Ca -0.03 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 3ijr n PRO 232 Cb 0.09 -1.52 0.19 0.00 -0.04 0.00 0.00 33.50 32.22 3ijr n PRO 232 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ijr n SER 233 N -1.53 0.57 -0.04 3.54 3.41 -1.13 -0.05 113.62 118.40 3ijr n SER 233 Ca 0.02 -0.33 -0.06 0.00 -0.26 0.00 0.00 58.87 58.24 3ijr n SER 233 Cb 0.12 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.54 1.85 -4.94 4.04 3.41 -0.83 -4.50 113.62 111.12 3ijr n SER 234 Ca 0.05 0.03 -0.25 0.00 -0.26 0.00 0.00 58.87 58.45 3ijr n SER 234 Cb 0.34 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.13 3.51 0.80 7.33 0.08 -0.41 -4.62 117.98 122.54 3ijr s PHE 235 Ca -0.10 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.27 3ijr s PHE 235 Cb 0.03 -1.97 0.07 0.00 -0.57 0.00 0.00 43.02 40.59 3ijr s PHE 235 CO 0.14 0.05 1.09 0.16 -0.10 0.00 0.00 175.22 176.56 3ijr s ASP 236 N -4.03 4.40 0.57 1.36 3.84 -1.26 -4.74 116.67 116.80 3ijr s ASP 236 Ca 0.41 1.45 0.25 0.00 -0.00 0.00 0.00 52.55 54.66 3ijr s ASP 236 Cb -0.10 -2.19 1.62 0.00 -1.38 0.00 0.00 42.92 40.87 3ijr s ASP 236 CO 0.37 -2.05 2.19 -0.33 -0.00 0.00 0.00 175.17 175.35 3ijr h GLU 237 N -1.14 0.00 0.03 2.11 5.08 -1.95 -1.07 114.58 117.64 3ijr h GLU 237 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3ijr h GLU 237 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3ijr h GLU 237 CO 0.57 0.00 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.34 3ijr h LYS 238 N 0.00 -0.04 -0.58 2.33 3.11 -1.92 -2.26 116.57 117.21 3ijr h LYS 238 Ca 0.03 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 3ijr h LYS 238 Cb 0.13 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.34 3ijr h LYS 238 CO -0.00 0.58 0.37 -0.22 -2.81 0.00 0.00 179.45 177.37 3ijr h LYS 239 N -0.71 0.72 -0.70 1.90 1.63 -1.84 -2.47 116.57 115.09 3ijr h LYS 239 Ca -0.00 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3ijr h LYS 239 Cb 0.64 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 3ijr h LYS 239 CO 0.01 0.48 0.43 0.28 -3.45 0.00 0.00 179.45 177.19 3ijr h VAL 240 N 0.74 1.05 0.00 2.00 2.07 -1.24 -1.09 116.25 119.78 3ijr h VAL 240 Ca 0.22 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3ijr h VAL 240 Cb -0.04 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3ijr h VAL 240 CO -0.07 0.15 -0.09 0.77 0.02 0.00 0.00 177.57 178.35 3ijr h SER 241 N 0.81 0.00 -0.02 0.57 4.64 -0.93 -2.37 113.55 116.26 3ijr h SER 241 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ijr h SER 241 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3ijr h SER 241 CO -0.14 0.09 -0.04 0.00 -0.87 0.00 0.00 176.83 175.88 3ijr n GLN 242 N -3.90 1.50 -1.61 4.77 6.02 -0.96 0.48 117.38 123.68 3ijr n GLN 242 Ca -0.02 -1.49 -0.54 0.00 -0.01 0.00 0.00 57.00 54.94 3ijr n GLN 242 Cb 0.19 -1.34 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 0.89 1.54 -0.63 1.08 7.35 -0.45 -1.64 117.46 125.59 3ijr n PHE 243 Ca 0.10 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3ijr n PHE 243 Cb 0.44 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 37.94 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 2.81 1.13 0.12 7.13 0.00 -1.26 -4.19 105.19 110.93 3ijr n GLY 244 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 0.75 0.20 1.61 3.41 -0.65 -1.92 113.62 117.01 3ijr n SER 245 Ca 0.00 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3ijr n SER 245 Cb 0.00 -0.80 0.29 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.39 4.04 -1.07 -1.91 -3.43 115.58 109.82 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 0.57 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.84 3ijr h ASN 246 CO 0.00 0.00 0.03 0.68 0.07 0.00 0.00 177.43 178.21 3ijr s VAL 247 N -3.24 4.95 0.00 6.14 -7.23 -1.23 -4.96 120.40 114.84 3ijr s VAL 247 Ca 0.07 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 3ijr s VAL 247 Cb 0.07 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.16 3ijr s VAL 247 CO 0.63 -0.75 0.00 -2.65 -0.31 0.00 0.00 175.10 172.02 3ijr n PRO 248 N -2.05 0.00 -1.38 4.82 -0.02 -1.19 -4.56 135.00 130.61 3ijr n PRO 248 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3ijr n PRO 248 Cb 0.55 -1.28 0.01 0.00 -0.02 0.00 0.00 33.50 32.76 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 1.65 0.07 -3.49 -0.52 6.02 -1.26 -5.04 117.38 114.80 3ijr n GLN 250 Ca 0.00 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.78 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 1.04 0.67 -1.09 1.70 -0.81 -4.69 118.95 115.78 3ijr s ARG 251 Ca 0.00 -0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.11 3ijr s ARG 251 Cb 0.02 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 3ijr s ARG 251 CO -0.01 -0.39 1.05 -1.25 -1.08 0.00 0.00 175.30 173.63 3ijr s PRO 252 N -2.20 3.17 0.62 3.89 0.04 -1.25 -4.77 135.00 134.50 3ijr s PRO 252 Ca -0.04 0.77 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 3ijr s PRO 252 Cb -0.00 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3ijr s PRO 252 CO -0.00 -0.88 1.02 0.20 0.04 0.00 0.00 177.00 177.37 3ijr s GLY 253 N -4.05 1.64 0.06 0.56 0.00 0.53 -4.85 107.32 101.21 3ijr s GLY 253 Ca 0.57 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.12 3ijr s GLY 253 CO 0.54 0.10 0.12 1.20 0.00 0.00 0.00 173.10 175.05 3ijr s GLN 254 N -5.17 3.07 0.39 2.90 -1.52 -1.26 -1.23 119.66 116.85 3ijr s GLN 254 Ca 0.55 -0.59 0.15 0.00 -1.95 0.00 0.00 55.36 53.52 3ijr s GLN 254 Cb -0.11 -2.84 1.00 0.00 -0.22 0.00 0.00 33.01 30.84 3ijr s GLN 254 CO 0.53 0.59 1.85 -1.35 -0.25 0.00 0.00 175.29 176.65 3ijr h PRO 255 N 3.33 0.48 0.00 2.91 0.11 -1.76 0.31 132.00 137.38 3ijr h PRO 255 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3ijr h PRO 255 Cb 1.16 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ijr h PRO 255 CO 0.68 0.32 -0.02 0.10 -0.21 0.00 0.00 178.00 178.87 3ijr h TYR 256 N 0.49 0.00 0.00 0.65 -0.00 -1.55 -1.67 116.97 114.89 3ijr h TYR 256 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.21 3ijr h TYR 256 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.80 3ijr h TYR 256 CO -0.00 0.02 0.00 0.39 -0.00 0.00 0.00 178.16 178.57 3ijr n GLU 257 N -3.97 0.02 -0.03 0.10 1.02 0.10 -2.82 120.64 115.06 3ijr n GLU 257 Ca -0.03 0.17 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 3ijr n GLU 257 Cb 0.11 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.48 0.41 -0.33 -4.62 7.99 -0.63 -4.62 117.00 113.72 3ijr n LEU 258 Ca 0.05 0.18 -0.02 0.00 -0.01 0.00 0.00 56.01 56.22 3ijr n LEU 258 Cb 0.22 0.23 0.14 0.00 -0.11 0.00 0.00 43.42 43.90 3ijr n LEU 258 CO 0.18 0.28 1.27 0.00 -1.51 0.00 0.00 177.39 177.60 3ijr h ALA 259 N 1.31 1.31 0.00 -1.18 0.00 -1.53 -2.66 119.26 116.51 3ijr h ALA 259 Ca -0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3ijr h ALA 259 Cb 1.78 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3ijr h ALA 259 CO 0.04 0.63 -0.13 -1.35 0.00 0.00 0.00 179.25 178.43 3ijr h PRO 260 N 1.27 0.00 -0.50 0.00 0.11 -1.82 -0.56 132.00 130.51 3ijr h PRO 260 Ca 0.34 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.36 3ijr h PRO 260 Cb -0.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3ijr h PRO 260 CO -0.07 0.13 -0.05 0.00 -0.21 0.00 0.00 178.00 177.80 3ijr h ALA 261 N 1.87 0.68 -0.51 -0.75 0.00 -1.77 0.53 119.26 119.30 3ijr h ALA 261 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3ijr h ALA 261 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3ijr h ALA 261 CO 0.02 0.53 -0.08 1.88 0.00 0.00 0.00 179.25 181.60 3ijr h TYR 262 N 0.77 1.06 -0.34 0.00 0.05 -1.29 -1.23 116.97 115.99 3ijr h TYR 262 Ca 0.14 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.73 3ijr h TYR 262 Cb 0.58 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3ijr h TYR 262 CO 0.04 1.00 0.14 0.28 -1.05 0.00 0.00 178.16 178.58 3ijr h VAL 263 N 0.82 0.95 -0.25 -2.88 2.07 -0.98 0.20 116.25 116.17 3ijr h VAL 263 Ca 0.14 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3ijr h VAL 263 Cb 0.63 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3ijr h VAL 263 CO 0.04 0.06 0.05 0.22 0.02 0.00 0.00 177.57 177.96 3ijr h TYR 264 N 0.31 0.08 0.00 1.57 3.20 -0.66 -2.03 116.97 119.44 3ijr h TYR 264 Ca 0.15 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3ijr h TYR 264 Cb 0.09 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3ijr h TYR 264 CO -0.12 0.02 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.01 3ijr h LEU 265 N 0.15 0.00 0.00 2.82 3.38 -0.86 -3.17 115.31 117.63 3ijr h LEU 265 Ca 0.12 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3ijr h LEU 265 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3ijr h LEU 265 CO -0.16 0.34 -0.96 0.00 0.09 0.00 0.00 178.44 177.76 3ijr h ALA 266 N 1.66 0.54 -1.46 1.53 0.00 -0.38 -3.46 119.26 117.68 3ijr h ALA 266 Ca -0.00 -0.82 -0.45 0.00 0.00 0.00 0.00 54.91 53.64 3ijr h ALA 266 Cb 0.86 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.68 3ijr h ALA 266 CO 0.04 1.05 -0.07 -1.54 0.00 0.00 0.00 179.25 178.74 3ijr s SER 267 N -6.46 5.13 0.00 0.00 1.04 -0.78 -4.89 113.70 107.74 3ijr s SER 267 Ca 0.01 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.24 3ijr s SER 267 Cb 0.09 -0.43 0.68 0.00 0.10 0.00 0.00 66.02 66.46 3ijr s SER 267 CO 0.80 -1.25 1.25 -1.54 0.98 0.00 0.00 173.24 173.47 3ijr n SER 268 N -2.32 0.00 0.28 7.02 3.41 -1.26 -2.36 113.62 118.39 3ijr n SER 268 Ca 0.11 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 3ijr n SER 268 Cb 0.60 -0.15 0.82 0.00 -0.26 0.00 0.00 64.21 65.21 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 -0.47 4.04 3.32 -1.90 -2.81 116.42 118.60 3ijr h ASP 269 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 3ijr h ASP 269 Cb 0.06 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.42 3ijr h ASP 269 CO 0.00 0.05 -0.25 -1.54 -1.72 0.00 0.00 179.24 175.78 3ijr n SER 270 N -3.84 3.48 0.32 6.45 3.41 -0.99 -4.82 113.62 117.63 3ijr n SER 270 Ca -0.03 -3.80 0.19 0.00 -0.26 0.00 0.00 58.87 54.97 3ijr n SER 270 Cb 0.14 -0.58 1.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 1.40 0.00 -0.40 4.04 4.64 -1.68 -0.17 113.55 121.38 3ijr h SER 271 Ca 0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 3ijr h SER 271 Cb 1.45 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.50 3ijr h SER 271 CO 0.54 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 176.55 3ijr n TYR 272 N -3.13 1.40 -4.18 4.77 9.36 -1.26 -4.94 117.16 119.17 3ijr n TYR 272 Ca -0.02 -1.01 -0.31 0.00 3.32 0.00 0.00 57.90 59.88 3ijr n TYR 272 Cb 0.23 -0.43 -0.16 0.00 -0.63 0.00 0.00 39.34 38.34 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 -0.01 2.97 1.01 -0.08 -5.11 120.40 118.06 3ijr s VAL 273 Ca 0.47 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 3ijr s VAL 273 Cb 0.38 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 35.17 3ijr s VAL 273 CO 0.10 0.49 0.43 0.28 0.00 0.00 0.00 175.10 176.40 3ijr s THR 274 N 1.28 0.04 -0.05 3.92 -1.32 -1.26 -4.67 115.64 113.58 3ijr s THR 274 Ca 0.02 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 3ijr s THR 274 Cb -0.13 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 3ijr s THR 274 CO -0.09 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 3ijr n GLY 275 N 1.00 0.47 0.00 6.08 0.00 0.14 -4.97 105.19 107.92 3ijr n GLY 275 Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.71 3.61 -3.60 1.61 1.13 -1.26 -4.70 117.38 111.47 3ijr n GLN 276 Ca -0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3ijr n GLN 276 Cb 0.05 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.31 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 3.32 -0.67 -0.51 5.09 -1.09 -0.34 -0.16 121.20 126.84 3ijr s ILE 278 Ca 0.00 0.12 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 3ijr s ILE 278 Cb 0.00 -0.72 0.05 0.00 -1.58 0.00 0.00 42.46 40.21 3ijr s ILE 278 CO 0.00 0.04 0.72 -1.00 -1.23 0.00 0.00 174.94 173.47 3ijr s HIS 279 N 2.63 2.98 -0.58 3.97 3.76 -1.26 -0.81 115.29 125.97 3ijr s HIS 279 Ca 0.01 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3ijr s HIS 279 Cb -0.13 -3.65 0.15 0.00 1.11 0.00 0.00 32.58 30.06 3ijr s HIS 279 CO -0.14 -1.09 0.36 0.08 -0.85 0.00 0.00 174.74 173.11 3ijr s VAL 280 N 3.04 3.20 0.00 -0.90 1.01 -1.06 -4.89 120.40 120.80 3ijr s VAL 280 Ca 0.21 -3.17 0.00 0.00 0.00 0.00 0.00 61.98 59.02 3ijr s VAL 280 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3ijr s VAL 280 CO 0.15 -0.85 0.62 -0.46 0.00 0.00 0.00 175.10 174.56 3ijr n ASN 281 N 3.26 0.00 0.00 3.32 0.23 -1.26 -1.27 115.26 119.54 3ijr n ASN 281 Ca 0.07 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 3ijr n ASN 281 Cb 0.35 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 0.43 0.00 4.83 0.00 -1.26 -4.03 105.19 105.17 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 1.07 3.68 -0.02 0.00 -1.26 -3.19 105.19 102.49 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 4.11 -0.06 1.61 1.01 -1.26 -4.70 120.40 119.11 3ijr s VAL 284 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 3ijr s VAL 284 Cb 0.00 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3ijr s VAL 284 CO 0.00 -0.04 0.97 -0.63 0.00 0.00 0.00 175.10 175.40 3ijr s ILE 285 N 2.68 4.84 -0.12 2.22 -1.09 -1.26 -4.93 121.20 123.54 3ijr s ILE 285 Ca 0.58 2.00 0.15 0.00 -2.23 0.00 0.00 60.65 61.14 3ijr s ILE 285 Cb -0.26 -4.29 0.33 0.00 -1.58 0.00 0.00 42.46 36.66 3ijr s ILE 285 CO 0.21 0.09 1.16 1.33 -1.23 0.00 0.00 174.94 176.50 3ijr n VAL 286 N 4.24 1.44 -3.65 2.92 0.24 -1.26 -4.94 118.33 117.31 3ijr n VAL 286 Ca 0.07 -2.15 -0.26 0.00 -2.04 0.00 0.00 64.34 59.96 3ijr n VAL 286 Cb 0.50 0.07 0.06 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.78 -5.89 -0.19 -1.34 5.15 -1.26 -5.03 115.26 105.91 3ijr n ASN 287 Ca 0.13 -0.59 0.15 0.00 -0.60 0.00 0.00 54.58 53.67 3ijr n ASN 287 Cb 0.76 -4.66 0.78 0.00 -0.53 0.00 0.00 39.78 36.13 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27