#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 0.53 -3.69 2.52 -2.24 -0.06 -4.98 114.28 106.36 3ijr n THR 9 Ca 0.00 -0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 3ijr n THR 9 Cb 0.00 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 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 3.56 -0.19 -0.78 0.02 -1.26 -5.03 135.00 130.79 3ijr s PRO 11 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 61.00 60.50 3ijr s PRO 11 Cb 0.00 -2.85 -0.01 0.00 0.02 0.00 0.00 34.50 31.66 3ijr s PRO 11 CO 0.00 0.43 1.28 0.00 -0.33 0.00 0.00 177.00 178.38 3ijr s ALA 12 N -1.77 3.61 0.18 -1.55 0.00 -1.26 -4.45 121.76 116.53 3ijr s ALA 12 Ca 0.39 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 3ijr s ALA 12 Cb -0.12 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.38 3ijr s ALA 12 CO 0.27 -1.27 0.49 1.14 0.00 0.00 0.00 175.76 176.39 3ijr s GLN 13 N 3.62 1.31 -0.27 0.00 -2.07 -1.26 -5.02 119.66 115.97 3ijr s GLN 13 Ca 0.55 -0.85 -0.24 0.00 -1.82 0.00 0.00 55.36 53.01 3ijr s GLN 13 Cb -0.21 0.50 0.08 0.00 -1.09 0.00 0.00 33.01 32.29 3ijr s GLN 13 CO 0.16 -0.55 0.76 -1.58 -1.32 0.00 0.00 175.29 172.77 3ijr s HIS 14 N -3.86 -0.78 -0.21 9.60 2.46 -1.26 -3.77 115.29 117.46 3ijr s HIS 14 Ca 0.08 1.84 -0.06 0.00 0.47 0.00 0.00 55.06 57.39 3ijr s HIS 14 Cb -0.00 0.33 -0.03 0.00 -0.13 0.00 0.00 32.58 32.75 3ijr s HIS 14 CO -0.04 -0.38 0.03 -0.65 -2.47 0.00 0.00 174.74 171.23 3ijr s GLN 15 N 0.54 3.68 0.43 2.88 -0.21 0.60 -4.99 119.66 122.60 3ijr s GLN 15 Ca -0.01 -0.48 0.21 0.00 0.02 0.00 0.00 55.36 55.10 3ijr s GLN 15 Cb -0.05 -3.17 1.18 0.00 1.00 0.00 0.00 33.01 31.97 3ijr s GLN 15 CO -0.03 -0.00 1.80 -0.97 -2.12 0.00 0.00 175.29 173.97 3ijr h ASN 16 N 7.58 0.35 -3.33 5.90 -0.00 -1.92 -3.41 115.58 120.75 3ijr h ASN 16 Ca -0.37 0.06 -0.66 0.00 -0.00 0.00 0.00 56.30 55.34 3ijr h ASN 16 Cb 1.18 -0.00 -0.18 0.00 -0.00 0.00 0.00 38.32 39.32 3ijr h ASN 16 CO 0.61 0.09 -0.80 -0.75 -0.00 0.00 0.00 177.43 176.58 3ijr s LYS 17 N -5.37 1.69 -0.01 6.67 2.20 -1.26 -5.11 119.74 118.55 3ijr s LYS 17 Ca -0.08 -1.38 0.02 0.00 -0.36 0.00 0.00 55.97 54.17 3ijr s LYS 17 Cb 0.24 -1.98 -0.00 0.00 -1.51 0.00 0.00 37.83 34.58 3ijr s LYS 17 CO 0.79 0.43 -0.06 -1.14 -0.36 0.00 0.00 175.35 175.02 3ijr s GLN 18 N -2.54 0.47 0.34 4.03 0.74 -1.26 -4.03 119.66 117.41 3ijr s GLN 18 Ca 0.20 -0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.14 3ijr s GLN 18 Cb -0.09 -0.46 -0.12 0.00 1.10 0.00 0.00 33.01 33.44 3ijr s GLN 18 CO 0.11 0.11 1.32 -2.30 -0.55 0.00 0.00 175.29 173.98 3ijr n PRO 19 N 3.00 2.17 -1.25 1.67 -0.02 -1.26 -5.15 135.00 134.16 3ijr n PRO 19 Ca -0.14 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3ijr n PRO 19 Cb 0.58 -2.36 0.10 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.24 1.67 -0.19 -1.23 0.00 -1.25 -5.04 107.32 101.04 3ijr s GLY 20 Ca 0.56 0.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 3ijr s GLY 20 CO 0.61 0.58 -0.07 -0.42 0.00 0.00 0.00 173.10 173.80 3ijr s ILE 21 N -2.91 3.26 0.18 0.90 1.01 -1.26 -4.85 121.20 117.53 3ijr s ILE 21 Ca 0.61 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 3ijr s ILE 21 Cb -0.17 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 39.94 3ijr s ILE 21 CO 0.56 0.46 1.69 -0.08 0.00 0.00 0.00 174.94 177.57 3ijr h GLU 22 N 7.70 1.06 0.00 2.79 4.81 -1.96 -2.89 114.58 126.09 3ijr h GLU 22 Ca -0.38 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 3ijr h GLU 22 Cb 1.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3ijr h GLU 22 CO 0.60 0.96 0.04 0.66 -0.73 0.00 0.00 179.01 180.54 3ijr h SER 23 N 0.98 0.00 -0.88 1.04 4.64 -1.99 -3.45 113.55 113.88 3ijr h SER 23 Ca 0.20 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.99 3ijr h SER 23 Cb 0.40 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.35 3ijr h SER 23 CO 0.01 0.00 1.03 0.18 -0.87 0.00 0.00 176.83 177.18 3ijr n LEU 24 N -2.85 6.87 0.00 5.97 4.77 -1.09 -5.07 117.00 125.60 3ijr n LEU 24 Ca -0.02 -4.19 0.00 0.00 -0.03 0.00 0.00 56.01 51.77 3ijr n LEU 24 Cb 0.10 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3ijr n LEU 24 CO 0.17 1.84 0.00 -3.20 -1.33 0.00 0.00 177.39 174.86 3ijr n ASN 26 N 1.48 0.00 -4.90 -1.43 5.15 -1.26 -5.08 115.26 109.21 3ijr n ASN 26 Ca 0.54 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 54.23 3ijr n ASN 26 Cb 0.50 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.83 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 2.18 0.30 1.20 0.04 -1.26 -4.44 135.00 133.02 3ijr s PRO 27 Ca 0.00 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 3ijr s PRO 27 Cb 0.00 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3ijr s PRO 27 CO 0.00 -1.42 1.24 -0.51 0.04 0.00 0.00 177.00 176.35 3ijr s LEU 28 N -5.47 4.47 0.59 -3.56 1.43 -1.26 -4.97 118.68 109.91 3ijr s LEU 28 Ca 0.61 2.51 -0.20 0.00 -1.03 0.00 0.00 54.13 56.02 3ijr s LEU 28 Cb -0.11 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3ijr s LEU 28 CO 0.49 -0.40 1.34 -2.84 0.23 0.00 0.00 176.35 175.17 3ijr s PRO 29 N -1.48 2.87 -0.55 1.29 0.02 -1.26 -4.93 135.00 130.95 3ijr s PRO 29 Ca 0.48 2.18 -0.22 0.00 0.02 0.00 0.00 61.00 63.46 3ijr s PRO 29 Cb -0.37 -2.08 0.05 0.00 0.02 0.00 0.00 34.50 32.13 3ijr s PRO 29 CO 0.47 -1.39 0.84 -0.65 -0.33 0.00 0.00 177.00 175.95 3ijr s GLN 30 N -3.11 3.23 0.00 5.54 -0.21 -1.26 -4.85 119.66 119.00 3ijr s GLN 30 Ca 0.77 -0.55 0.24 0.00 0.02 0.00 0.00 55.36 55.83 3ijr s GLN 30 Cb -0.40 -4.09 0.23 0.00 1.00 0.00 0.00 33.01 29.75 3ijr s GLN 30 CO 0.45 -1.45 1.23 1.97 -2.12 0.00 0.00 175.29 175.37 3ijr n PHE 31 N 7.08 0.00 -4.32 0.91 1.16 -1.26 -1.63 117.46 119.40 3ijr n PHE 31 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.37 3ijr n PHE 31 Cb 0.46 -0.06 -0.15 0.00 -1.61 0.00 0.00 39.48 38.12 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 -2.61 0.82 -0.43 3.97 2.12 -1.26 -4.19 118.70 117.12 3ijr s GLU 32 Ca 0.18 -0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.09 3ijr s GLU 32 Cb 0.18 -0.78 0.03 0.00 0.26 0.00 0.00 34.13 33.82 3ijr s GLU 32 CO 0.61 0.10 0.38 0.34 -0.54 0.00 0.00 175.26 176.15 3ijr s ASP 33 N 0.18 6.15 0.56 -1.70 2.15 -1.26 -4.92 116.67 117.82 3ijr s ASP 33 Ca -0.02 -0.88 0.25 0.00 0.43 0.00 0.00 52.55 52.33 3ijr s ASP 33 Cb -0.08 -2.19 1.48 0.00 -0.30 0.00 0.00 42.92 41.84 3ijr s ASP 33 CO 0.00 -0.55 2.05 1.55 -0.17 0.00 0.00 175.17 178.05 3ijr h PRO 34 N 8.70 0.00 -0.01 4.34 0.13 -2.02 0.71 132.00 143.86 3ijr h PRO 34 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ijr h PRO 34 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ijr h PRO 34 CO 0.79 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.57 3ijr n ASN 35 N -4.13 0.80 -4.77 1.44 4.13 -1.26 -4.90 115.26 106.56 3ijr n ASN 35 Ca 0.04 -0.98 -0.41 0.00 1.68 0.00 0.00 54.58 54.91 3ijr n ASN 35 Cb 0.42 -0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.65 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 -2.25 2.61 -0.14 3.10 5.04 0.24 -4.98 117.35 120.96 3ijr s TYR 36 Ca 0.34 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 56.01 3ijr s TYR 36 Cb 0.21 -4.05 0.04 0.00 0.35 0.00 0.00 41.96 38.50 3ijr s TYR 36 CO 0.42 -3.21 -0.03 0.15 -1.34 0.00 0.00 175.55 171.54 3ijr s LYS 37 N -1.68 1.15 0.61 4.97 1.02 -1.26 -5.05 119.74 119.50 3ijr s LYS 37 Ca 0.56 -0.34 -0.15 0.00 0.02 0.00 0.00 55.97 56.06 3ijr s LYS 37 Cb -0.47 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 3ijr s LYS 37 CO 0.59 -0.42 1.05 0.20 -0.92 0.00 0.00 175.35 175.86 3ijr s GLY 38 N 1.75 2.04 -0.17 -3.33 0.00 -1.26 -4.99 107.32 101.35 3ijr s GLY 38 Ca 0.02 0.33 0.22 0.00 0.00 0.00 0.00 44.72 45.28 3ijr s GLY 38 CO -0.07 0.64 1.16 -1.14 0.00 0.00 0.00 173.10 173.69 3ijr n SER 39 N -2.20 0.99 -2.47 1.64 3.41 -1.26 -4.99 113.62 108.74 3ijr n SER 39 Ca 0.08 -2.03 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 3ijr n SER 39 Cb 0.53 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.32 -2.07 0.27 4.33 1.02 -1.26 -4.87 120.64 117.75 3ijr n GLU 40 Ca 0.03 0.97 0.13 0.00 -0.02 0.00 0.00 57.16 58.27 3ijr n GLU 40 Cb 0.91 -5.65 0.76 0.00 -0.02 0.00 0.00 31.44 27.44 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 -0.15 0.00 -0.34 3.49 1.57 -1.89 -2.77 116.57 116.49 3ijr h LYS 41 Ca -0.49 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.03 3ijr h LYS 41 Cb 1.36 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.35 3ijr h LYS 41 CO 0.57 0.09 -0.88 1.28 -0.57 0.00 0.00 179.45 179.94 3ijr n LEU 42 N -3.74 2.67 -4.66 2.94 4.77 -0.40 -4.63 117.00 113.95 3ijr n LEU 42 Ca -0.02 -3.50 -0.43 0.00 -0.03 0.00 0.00 56.01 52.03 3ijr n LEU 42 Cb 0.19 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3ijr n LEU 42 CO 0.30 1.31 1.60 1.17 -1.33 0.00 0.00 177.39 180.44 3ijr n LYS 43 N -0.51 2.76 -0.63 3.23 3.00 -0.91 -1.95 118.16 123.15 3ijr n LYS 43 Ca 0.20 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.52 3ijr n LYS 43 Cb 0.90 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 32.96 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 4.57 1.42 3.77 3.14 0.00 -0.09 -4.94 105.19 113.07 3ijr n GLY 44 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.12 3.75 -0.25 1.61 -0.14 -0.82 -4.82 119.74 118.95 3ijr s LYS 45 Ca 0.00 1.75 -0.06 0.00 -1.36 0.00 0.00 55.97 56.30 3ijr s LYS 45 Cb 0.00 -2.39 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 3ijr s LYS 45 CO 0.00 -0.55 0.04 -0.80 -0.76 0.00 0.00 175.35 173.28 3ijr s ASN 46 N -1.39 4.93 -0.08 2.83 0.01 -1.26 -1.06 114.94 118.92 3ijr s ASN 46 Ca 0.64 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 52.49 3ijr s ASN 46 Cb -0.28 -1.87 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 3ijr s ASN 46 CO 0.34 -0.06 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.00 3ijr s VAL 47 N 1.56 2.61 -0.25 1.60 1.01 -0.33 -0.28 120.40 126.33 3ijr s VAL 47 Ca 0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 3ijr s VAL 47 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3ijr s VAL 47 CO 0.02 0.56 0.02 -0.22 0.00 0.00 0.00 175.10 175.48 3ijr s LEU 48 N -0.15 3.27 -0.18 3.92 2.96 -0.48 -0.10 118.68 127.92 3ijr s LEU 48 Ca -0.02 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3ijr s LEU 48 Cb -0.14 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3ijr s LEU 48 CO 0.04 -0.06 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.33 3ijr s ILE 49 N 1.53 2.45 -0.05 6.68 2.07 -0.31 -0.18 121.20 133.38 3ijr s ILE 49 Ca 0.05 -0.82 -0.23 0.00 -1.41 0.00 0.00 60.65 58.24 3ijr s ILE 49 Cb -0.15 -2.04 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 3ijr s ILE 49 CO 0.00 0.51 0.67 0.42 -1.91 0.00 0.00 174.94 174.64 3ijr s THR 50 N 1.14 5.01 -0.53 4.00 -4.23 0.02 -1.42 115.64 119.62 3ijr s THR 50 Ca 0.01 1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 61.91 3ijr s THR 50 Cb -0.14 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.68 3ijr s THR 50 CO -0.06 0.29 0.05 0.61 -0.54 0.00 0.00 174.62 174.96 3ijr n GLY 51 N 2.97 0.16 0.55 3.99 0.00 0.16 -2.87 105.19 110.15 3ijr n GLY 51 Ca -0.03 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.48 3ijr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijr n GLY 52 N -1.00 0.34 0.15 -0.02 0.00 -1.15 -3.99 105.19 99.52 3ijr n GLY 52 Ca -0.07 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 1.89 0.00 -5.00 1.61 2.03 -1.82 -3.13 116.42 112.00 3ijr h ASP 53 Ca 0.00 -0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3ijr h ASP 53 Cb 0.42 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.92 3ijr h ASP 53 CO 0.00 0.01 0.26 -0.94 -1.03 0.00 0.00 179.24 177.55 3ijr s SER 54 N -5.35 -0.04 1.10 4.15 1.04 -1.26 -4.08 113.70 109.27 3ijr s SER 54 Ca 0.07 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3ijr s SER 54 Cb 0.09 0.83 0.00 0.00 0.10 0.00 0.00 66.02 67.04 3ijr s SER 54 CO 0.68 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3ijr n GLY 55 N -0.52 2.99 0.24 7.32 0.00 -1.26 -1.41 105.19 112.55 3ijr n GLY 55 Ca -0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 1.19 -0.79 -0.61 2.04 -1.89 -2.61 117.51 114.84 3ijr h ILE 56 Ca 0.00 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.41 3ijr h ILE 56 Cb 0.00 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3ijr h ILE 56 CO 0.00 0.21 0.52 1.23 0.00 0.00 0.00 178.15 180.11 3ijr h GLY 57 N 0.73 1.09 0.87 5.37 0.00 -1.52 0.23 103.07 109.85 3ijr h GLY 57 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 3ijr h GLY 57 CO -0.03 0.24 -0.03 -0.09 0.00 0.00 0.00 176.54 176.64 3ijr h ARG 58 N 0.84 0.52 -0.72 4.80 2.43 -0.87 -0.16 114.38 121.22 3ijr h ARG 58 Ca 0.35 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3ijr h ARG 58 Cb 0.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3ijr h ARG 58 CO -0.12 0.70 0.38 0.00 -1.51 0.00 0.00 179.97 179.42 3ijr h ALA 59 N 0.81 0.93 -0.38 2.80 0.00 -1.02 -1.71 119.26 120.69 3ijr h ALA 59 Ca 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3ijr h ALA 59 Cb 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ijr h ALA 59 CO 0.02 0.46 -0.01 0.28 0.00 0.00 0.00 179.25 180.00 3ijr h VAL 60 N 1.00 1.26 -0.28 0.00 2.07 -0.84 -1.04 116.25 118.42 3ijr h VAL 60 Ca 0.25 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3ijr h VAL 60 Cb 0.06 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3ijr h VAL 60 CO -0.04 0.34 0.06 0.28 0.02 0.00 0.00 177.57 178.23 3ijr h SER 61 N 0.49 0.02 -0.23 0.57 0.02 -0.83 0.29 113.55 113.88 3ijr h SER 61 Ca 0.11 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3ijr h SER 61 Cb 0.48 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3ijr h SER 61 CO 0.02 0.05 0.05 0.40 -1.14 0.00 0.00 176.83 176.21 3ijr h ILE 62 N 0.17 1.21 -0.67 3.27 2.04 -1.22 -0.83 117.51 121.47 3ijr h ILE 62 Ca 0.13 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3ijr h ILE 62 Cb 0.13 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3ijr h ILE 62 CO -0.17 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.44 3ijr h ALA 63 N 0.87 1.15 -0.50 1.87 0.00 -1.05 -0.43 119.26 121.17 3ijr h ALA 63 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ijr h ALA 63 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ijr h ALA 63 CO 0.00 0.60 -0.05 0.74 0.00 0.00 0.00 179.25 180.54 3ijr h PHE 64 N 0.98 0.95 -0.45 0.00 -1.00 -0.80 -1.77 116.94 114.84 3ijr h PHE 64 Ca 0.22 -0.16 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 3ijr h PHE 64 Cb 0.24 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 3ijr h PHE 64 CO 0.02 0.89 0.12 0.00 -1.61 0.00 0.00 178.31 177.72 3ijr h ALA 65 N 1.14 0.60 0.00 2.45 0.00 -0.56 -0.98 119.26 121.91 3ijr h ALA 65 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ijr h ALA 65 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ijr h ALA 65 CO 0.03 0.28 -0.02 0.87 0.00 0.00 0.00 179.25 180.41 3ijr h LYS 66 N 0.60 0.00 -0.35 0.00 1.57 -0.75 0.57 116.57 118.21 3ijr h LYS 66 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3ijr h LYS 66 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ijr h LYS 66 CO 0.00 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3ijr n GLU 67 N -3.79 1.97 -0.39 3.15 -0.58 -0.70 -4.32 120.64 115.99 3ijr n GLU 67 Ca -0.03 -1.49 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 3ijr n GLU 67 Cb 0.10 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.20 0.79 3.86 0.62 0.00 0.19 -1.28 105.19 110.58 3ijr n GLY 68 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3ijr n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijr s ALA 69 N -2.07 3.55 -0.06 4.61 0.00 -0.45 -0.91 121.76 126.42 3ijr s ALA 69 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.58 3ijr s ALA 69 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 3ijr s ALA 69 CO 0.00 0.47 0.54 -0.80 0.00 0.00 0.00 175.76 175.97 3ijr s ASN 70 N -2.12 6.83 -0.16 0.00 0.01 -0.22 -4.12 114.94 115.16 3ijr s ASN 70 Ca 0.45 1.00 0.01 0.00 -0.71 0.00 0.00 52.86 53.60 3ijr s ASN 70 Cb -0.12 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.22 3ijr s ASN 70 CO 0.20 0.06 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.03 3ijr s ILE 71 N 0.18 2.25 -0.28 0.60 -1.09 0.21 -1.18 121.20 121.90 3ijr s ILE 71 Ca 0.29 -0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 57.69 3ijr s ILE 71 Cb -0.17 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 3ijr s ILE 71 CO 0.14 0.53 0.26 0.00 -1.23 0.00 0.00 174.94 174.64 3ijr s ALA 72 N 1.02 3.54 -0.30 9.38 0.00 0.86 -0.45 121.76 135.81 3ijr s ALA 72 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 3ijr s ALA 72 Cb -0.15 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.44 3ijr s ALA 72 CO -0.06 -0.60 0.04 0.42 0.00 0.00 0.00 175.76 175.56 3ijr s ILE 73 N 1.87 3.41 0.00 0.00 1.01 0.14 -1.16 121.20 126.47 3ijr s ILE 73 Ca 0.10 -1.12 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 3ijr s ILE 73 Cb -0.16 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3ijr s ILE 73 CO 0.11 -0.05 0.31 0.00 0.00 0.00 0.00 174.94 175.30 3ijr s ALA 74 N 1.36 3.80 0.23 9.38 0.00 -0.51 -0.32 121.76 135.69 3ijr s ALA 74 Ca -0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 3ijr s ALA 74 Cb -0.19 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.82 3ijr s ALA 74 CO 0.00 0.59 0.86 1.52 0.00 0.00 0.00 175.76 178.73 3ijr s TYR 75 N -1.24 -0.12 0.00 0.00 -0.85 -0.83 0.36 117.35 114.67 3ijr s TYR 75 Ca 0.26 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 3ijr s TYR 75 Cb -0.14 0.69 0.00 0.00 0.38 0.00 0.00 41.96 42.89 3ijr s TYR 75 CO 0.14 -1.06 0.15 -0.11 -1.52 0.00 0.00 175.55 173.16 3ijr n LEU 76 N -0.49 0.45 -0.39 -3.49 7.94 -1.25 -0.33 117.00 119.44 3ijr n LEU 76 Ca -0.05 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 3ijr n LEU 76 Cb 0.60 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.14 3ijr n LEU 76 CO 0.16 -0.41 0.21 -0.90 -1.11 0.00 0.00 177.39 175.33 3ijr n ASP 77 N -1.73 0.00 -3.85 1.96 5.75 -1.26 -1.43 116.55 116.00 3ijr n ASP 77 Ca 0.00 -1.15 -0.42 0.00 -0.01 0.00 0.00 54.79 53.20 3ijr n ASP 77 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3ijr n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ijr n GLU 78 N 0.00 3.54 -0.27 0.11 4.71 -1.26 -4.78 120.64 122.68 3ijr n GLU 78 Ca 0.00 -3.43 0.02 0.00 -0.01 0.00 0.00 57.16 53.74 3ijr n GLU 78 Cb 0.53 -2.96 0.15 0.00 -1.01 0.00 0.00 31.44 28.15 3ijr n GLU 78 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3ijr h GLU 79 N 5.77 0.70 0.53 3.49 4.39 -1.98 0.13 114.58 127.60 3ijr h GLU 79 Ca 0.41 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 3ijr h GLU 79 Cb 0.63 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3ijr h GLU 79 CO 1.66 0.46 -0.32 0.78 -1.16 0.00 0.00 179.01 180.42 3ijr h GLY 80 N 0.72 -0.87 0.66 -3.84 0.00 -1.99 0.98 103.07 98.74 3ijr h GLY 80 Ca 0.38 0.36 0.04 0.00 0.00 0.00 0.00 47.33 48.11 3ijr h GLY 80 CO -0.25 -0.31 0.12 -0.55 0.00 0.00 0.00 176.54 175.54 3ijr h ASP 81 N -0.81 0.11 -0.86 0.19 3.32 -1.76 -0.21 116.42 116.41 3ijr h ASP 81 Ca -0.06 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ijr h ASP 81 Cb 0.66 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 3ijr h ASP 81 CO 0.06 0.10 0.52 0.00 -1.72 0.00 0.00 179.24 178.20 3ijr h ALA 82 N 1.24 1.09 -0.75 3.45 0.00 -0.58 -1.27 119.26 122.45 3ijr h ALA 82 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ijr h ALA 82 Cb 0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3ijr h ALA 82 CO -0.18 0.55 0.33 -0.91 0.00 0.00 0.00 179.25 179.05 3ijr h ASN 83 N 1.18 0.99 -0.72 0.00 2.35 -0.30 0.16 115.58 119.23 3ijr h ASN 83 Ca 0.31 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3ijr h ASN 83 Cb -0.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 3ijr h ASN 83 CO -0.06 0.86 0.33 -0.33 -1.65 0.00 0.00 177.43 176.57 3ijr h GLU 84 N 1.07 1.06 -0.28 0.81 5.08 -0.37 -2.31 114.58 119.64 3ijr h GLU 84 Ca 0.26 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3ijr h GLU 84 Cb 0.15 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ijr h GLU 84 CO -0.03 0.85 -0.40 1.15 -1.00 0.00 0.00 179.01 179.58 3ijr h THR 85 N 1.02 1.30 -0.84 1.13 2.02 -0.73 -3.04 112.91 113.76 3ijr h THR 85 Ca 0.25 -1.59 0.06 0.00 0.77 0.00 0.00 66.41 65.90 3ijr h THR 85 Cb 0.15 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 3ijr h THR 85 CO -0.03 0.51 0.52 0.50 0.37 0.00 0.00 175.52 177.39 3ijr h LYS 86 N 0.51 0.92 -0.57 6.66 3.64 -0.55 -0.89 116.57 126.29 3ijr h LYS 86 Ca 0.03 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3ijr h LYS 86 Cb 0.99 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3ijr h LYS 86 CO 0.09 0.61 0.37 1.96 -2.27 0.00 0.00 179.45 180.21 3ijr h GLN 87 N 0.95 0.73 -0.45 1.90 7.50 -1.31 -0.35 115.11 124.08 3ijr h GLN 87 Ca 0.37 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.37 3ijr h GLN 87 Cb 0.17 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 3ijr h GLN 87 CO -0.17 0.49 -0.12 1.88 -1.50 0.00 0.00 178.83 179.41 3ijr h TYR 88 N 0.76 0.91 0.19 2.96 0.05 -1.28 -1.55 116.97 119.01 3ijr h TYR 88 Ca 0.21 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3ijr h TYR 88 Cb -0.08 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.43 3ijr h TYR 88 CO -0.04 0.89 -0.09 0.28 -1.05 0.00 0.00 178.16 178.15 3ijr h VAL 89 N 0.74 0.89 -0.11 -2.88 2.07 -0.79 -3.20 116.25 112.98 3ijr h VAL 89 Ca 0.12 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3ijr h VAL 89 Cb 0.62 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3ijr h VAL 89 CO 0.04 0.10 -0.14 -0.33 0.02 0.00 0.00 177.57 177.26 3ijr h GLU 90 N -0.49 0.17 -0.66 1.57 5.08 -1.02 -1.58 114.58 117.66 3ijr h GLU 90 Ca -0.03 -0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.49 3ijr h GLU 90 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3ijr h GLU 90 CO 0.04 0.32 0.48 -0.22 -1.00 0.00 0.00 179.01 178.64 3ijr h LYS 91 N 0.17 0.00 -0.00 2.33 3.64 -1.27 0.30 116.57 121.73 3ijr h LYS 91 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ijr h LYS 91 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3ijr h LYS 91 CO 0.02 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 3ijr n GLU 92 N -4.31 1.00 -1.43 1.90 -0.58 -0.59 -4.90 120.64 111.74 3ijr n GLU 92 Ca 0.13 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.81 3ijr n GLU 92 Cb 0.74 -1.34 -0.02 0.00 -0.57 0.00 0.00 31.44 30.25 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 0.84 0.59 3.75 0.62 0.00 0.10 -4.94 105.19 106.16 3ijr n GLY 93 Ca 0.16 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.21 2.36 0.18 1.61 -7.23 -1.26 -5.08 120.40 108.77 3ijr s VAL 94 Ca 0.00 -1.67 -0.21 0.00 -1.81 0.00 0.00 61.98 58.30 3ijr s VAL 94 Cb 0.00 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.86 3ijr s VAL 94 CO 0.00 -0.01 0.70 -0.54 -0.31 0.00 0.00 175.10 174.94 3ijr s LYS 95 N -3.92 4.30 -0.01 4.82 3.01 -1.26 -4.38 119.74 122.31 3ijr s LYS 95 Ca 0.42 0.89 0.04 0.00 -1.01 0.00 0.00 55.97 56.31 3ijr s LYS 95 Cb 0.03 -3.03 -0.01 0.00 -1.01 0.00 0.00 37.83 33.81 3ijr s LYS 95 CO 0.23 0.48 -0.14 0.00 0.51 0.00 0.00 175.35 176.43 3ijr s VAL 97 N -0.38 0.89 -0.17 0.00 1.01 0.40 -4.97 120.40 117.18 3ijr s VAL 97 Ca 0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 3ijr s VAL 97 Cb -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3ijr s VAL 97 CO -0.00 0.32 0.26 -0.76 0.00 0.00 0.00 175.10 174.92 3ijr s LEU 98 N 1.11 4.23 -0.51 3.92 1.43 -1.26 0.23 118.68 127.83 3ijr s LEU 98 Ca -0.07 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 3ijr s LEU 98 Cb -0.14 -2.32 0.16 0.00 0.03 0.00 0.00 46.19 43.92 3ijr s LEU 98 CO -0.01 0.11 0.35 -0.76 0.23 0.00 0.00 176.35 176.26 3ijr s LEU 99 N 0.50 2.90 0.69 1.79 1.43 0.56 -4.93 118.68 121.62 3ijr s LEU 99 Ca 0.15 -3.12 -0.12 0.00 -1.03 0.00 0.00 54.13 50.01 3ijr s LEU 99 Cb -0.13 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.09 3ijr s LEU 99 CO 0.03 -0.18 1.07 -2.16 0.23 0.00 0.00 176.35 175.33 3ijr s PRO 100 N -0.26 2.89 0.00 1.29 0.04 -1.26 -1.96 135.00 135.74 3ijr s PRO 100 Ca 0.24 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.33 3ijr s PRO 100 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3ijr s PRO 100 CO -0.11 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.20 3ijr n GLY 101 N -1.64 4.46 3.56 0.56 0.00 0.55 -4.85 105.19 107.84 3ijr n GLY 101 Ca 0.08 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 6.48 0.00 1.61 -1.08 -1.26 -3.95 116.67 118.47 3ijr s ASP 102 Ca 0.00 0.08 0.29 0.00 -0.52 0.00 0.00 52.55 52.39 3ijr s ASP 102 Cb 0.00 -2.45 1.61 0.00 -1.46 0.00 0.00 42.92 40.62 3ijr s ASP 102 CO 0.00 -1.07 2.03 0.18 0.52 0.00 0.00 175.17 176.83 3ijr n LEU 103 N 7.20 0.00 0.03 -1.34 4.77 -1.26 -2.49 117.00 123.90 3ijr n LEU 103 Ca 0.06 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.26 3ijr n LEU 103 Cb 0.48 -0.12 0.44 0.00 -2.33 0.00 0.00 43.42 41.90 3ijr n LEU 103 CO 0.64 -0.01 0.83 -1.54 -1.33 0.00 0.00 177.39 175.98 3ijr n SER 104 N -1.12 0.16 -4.61 -1.43 3.41 -1.26 -4.57 113.62 104.20 3ijr n SER 104 Ca 0.18 0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 58.93 3ijr n SER 104 Cb 0.15 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.29 6.32 0.14 4.04 2.15 -1.04 -4.90 116.67 120.08 3ijr s ASP 105 Ca 0.09 0.36 -0.27 0.00 0.43 0.00 0.00 52.55 53.16 3ijr s ASP 105 Cb 0.13 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.48 3ijr s ASP 105 CO 0.39 -0.23 1.60 -0.08 -0.17 0.00 0.00 175.17 176.68 3ijr h GLU 106 N 8.13 -0.40 -0.92 4.34 4.81 -1.89 -2.21 114.58 126.44 3ijr h GLU 106 Ca -0.30 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3ijr h GLU 106 Cb 1.15 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 3ijr h GLU 106 CO 0.67 -0.27 0.55 0.37 -0.73 0.00 0.00 179.01 179.60 3ijr h GLN 107 N -0.42 0.85 -0.64 1.92 5.75 -1.95 -0.16 115.11 120.45 3ijr h GLN 107 Ca 0.09 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3ijr h GLN 107 Cb 0.57 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 3ijr h GLN 107 CO -0.37 0.56 0.22 1.25 -2.65 0.00 0.00 178.83 177.84 3ijr h HIS 108 N 0.87 0.97 -0.76 3.99 2.76 -1.72 0.18 115.15 121.45 3ijr h HIS 108 Ca 0.45 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.60 3ijr h HIS 108 Cb 0.46 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 3ijr h HIS 108 CO -0.04 0.77 0.50 0.00 -1.30 0.00 0.00 177.93 177.86 3ijr h LYS 110 N 0.87 0.79 -0.92 0.00 1.57 -0.29 -3.29 116.57 115.31 3ijr h LYS 110 Ca 0.31 -0.51 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3ijr h LYS 110 Cb 0.14 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 3ijr h LYS 110 CO -0.10 1.14 0.59 -0.44 -0.57 0.00 0.00 179.45 180.07 3ijr h ASP 111 N 0.55 0.98 0.09 0.86 3.32 0.24 -2.50 116.42 119.95 3ijr h ASP 111 Ca 0.01 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3ijr h ASP 111 Cb 1.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3ijr h ASP 111 CO 0.11 0.66 -0.17 0.16 -1.72 0.00 0.00 179.24 178.28 3ijr h ILE 112 N 1.13 1.18 0.01 0.35 3.07 -1.36 -0.27 117.51 121.63 3ijr h ILE 112 Ca 0.37 -0.81 -0.00 0.00 1.55 0.00 0.00 64.86 65.97 3ijr h ILE 112 Cb 0.04 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 3ijr h ILE 112 CO -0.13 0.25 -0.01 0.58 -1.05 0.00 0.00 178.15 177.79 3ijr h VAL 113 N 0.16 1.45 -0.55 0.16 2.07 -1.55 -0.55 116.25 117.44 3ijr h VAL 113 Ca 0.03 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 3ijr h VAL 113 Cb 0.40 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 3ijr h VAL 113 CO 0.03 0.37 0.26 -0.61 0.02 0.00 0.00 177.57 177.63 3ijr h GLN 114 N -0.63 0.76 -0.42 1.57 4.15 -1.37 -1.60 115.11 117.56 3ijr h GLN 114 Ca -0.00 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 3ijr h GLN 114 Cb 0.61 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 3ijr h GLN 114 CO 0.00 0.59 -0.24 1.49 -1.93 0.00 0.00 178.83 178.74 3ijr h GLU 115 N 0.77 0.91 -0.48 1.69 4.57 -1.05 0.20 114.58 121.19 3ijr h GLU 115 Ca 0.19 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3ijr h GLU 115 Cb 0.08 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3ijr h GLU 115 CO -0.03 1.07 0.29 1.15 -1.18 0.00 0.00 179.01 180.32 3ijr h THR 116 N 0.74 1.15 -0.37 0.32 2.02 -0.66 -1.33 112.91 114.78 3ijr h THR 116 Ca 0.09 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 3ijr h THR 116 Cb 0.82 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3ijr h THR 116 CO 0.07 0.15 -0.19 0.58 0.37 0.00 0.00 175.52 176.51 3ijr h VAL 117 N 0.64 1.26 -0.57 3.16 2.07 -1.17 0.70 116.25 122.34 3ijr h VAL 117 Ca 0.17 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3ijr h VAL 117 Cb -0.00 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3ijr h VAL 117 CO -0.03 0.42 0.20 -0.09 0.02 0.00 0.00 177.57 178.08 3ijr h ARG 118 N 0.62 0.87 0.07 1.57 2.43 -0.47 0.15 114.38 119.62 3ijr h ARG 118 Ca 0.09 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 3ijr h ARG 118 Cb 0.66 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3ijr h ARG 118 CO 0.05 0.77 -0.75 1.96 -1.51 0.00 0.00 179.97 180.49 3ijr h GLN 119 N 0.79 0.15 0.00 0.20 1.08 -1.14 -3.38 115.11 112.82 3ijr h GLN 119 Ca 0.19 -0.25 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 3ijr h GLN 119 Cb 0.25 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 3ijr h GLN 119 CO -0.01 1.12 -0.95 -0.07 -0.95 0.00 0.00 178.83 177.97 3ijr h LEU 120 N -0.65 0.00 0.00 1.46 3.38 -0.95 -3.48 115.31 115.08 3ijr h LEU 120 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ijr h LEU 120 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3ijr h LEU 120 CO 0.03 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.88 3ijr n GLY 121 N 1.33 1.86 3.48 0.83 0.00 0.53 -5.00 105.19 108.21 3ijr n GLY 121 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 3ijr n GLY 121 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ijr n SER 122 N 0.00 -1.69 -3.87 1.61 3.41 -1.24 -4.88 113.62 106.95 3ijr n SER 122 Ca 0.00 -1.96 -0.20 0.00 -0.26 0.00 0.00 58.87 56.45 3ijr n SER 122 Cb 0.00 2.77 -0.16 0.00 -0.26 0.00 0.00 64.21 66.55 3ijr n SER 122 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ijr s LEU 123 N 0.00 1.26 -0.04 1.04 2.96 -1.26 -4.52 118.68 118.12 3ijr s LEU 123 Ca 0.19 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3ijr s LEU 123 Cb -0.03 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3ijr s LEU 123 CO 0.06 -0.07 -0.03 0.59 -1.32 0.00 0.00 176.35 175.58 3ijr n ASN 124 N 4.13 3.77 -3.89 3.68 4.13 0.61 -4.49 115.26 123.20 3ijr n ASN 124 Ca -0.24 -0.02 -0.23 0.00 1.68 0.00 0.00 54.58 55.78 3ijr n ASN 124 Cb 0.51 0.06 -0.17 0.00 -1.54 0.00 0.00 39.78 38.64 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 -2.09 0.68 -0.18 2.41 1.01 -0.79 -1.30 121.20 120.95 3ijr s ILE 125 Ca -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 3ijr s ILE 125 Cb 0.01 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 3ijr s ILE 125 CO 0.11 0.28 -0.04 -0.22 0.00 0.00 0.00 174.94 175.07 3ijr s LEU 126 N 1.26 3.15 -0.31 2.97 2.96 -0.37 -1.38 118.68 126.96 3ijr s LEU 126 Ca -0.05 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3ijr s LEU 126 Cb -0.14 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.83 3ijr s LEU 126 CO -0.02 0.11 0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 3ijr s VAL 127 N 0.71 3.03 -0.30 1.68 1.01 0.74 -0.69 120.40 126.59 3ijr s VAL 127 Ca -0.02 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 3ijr s VAL 127 Cb -0.14 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 3ijr s VAL 127 CO 0.02 -0.14 0.76 0.20 0.00 0.00 0.00 175.10 175.94 3ijr s ASN 128 N 1.28 6.65 0.00 3.32 0.01 0.05 -0.80 114.94 125.46 3ijr s ASN 128 Ca -0.04 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 52.77 3ijr s ASN 128 Cb -0.20 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3ijr s ASN 128 CO -0.01 -0.57 0.00 -3.20 -1.51 0.00 0.00 177.10 171.81 3ijr n ASN 129 N 6.11 0.00 -4.77 -1.22 2.85 -1.14 -0.85 115.26 116.24 3ijr n ASN 129 Ca 0.03 -0.70 -0.36 0.00 -0.11 0.00 0.00 54.58 53.43 3ijr n ASN 129 Cb 0.48 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.50 3ijr n ASN 129 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3ijr s VAL 130 N 0.00 3.05 -0.03 3.44 -7.23 -1.15 -4.78 120.40 113.69 3ijr s VAL 130 Ca 0.00 0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 60.62 3ijr s VAL 130 Cb 0.00 -3.35 0.10 0.00 0.56 0.00 0.00 36.38 33.69 3ijr s VAL 130 CO 0.00 -0.06 0.83 0.00 -0.31 0.00 0.00 175.10 175.57 3ijr s ALA 131 N -1.61 -1.81 0.07 1.32 0.00 -1.26 -4.68 121.76 113.80 3ijr s ALA 131 Ca 0.68 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.84 3ijr s ALA 131 Cb -0.28 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3ijr s ALA 131 CO 0.33 -0.53 -0.12 -0.65 0.00 0.00 0.00 175.76 174.79 3ijr s GLN 132 N -2.26 0.77 -0.07 0.00 -0.21 -1.26 -5.00 119.66 111.62 3ijr s GLN 132 Ca -0.01 -0.97 -0.05 0.00 0.02 0.00 0.00 55.36 54.36 3ijr s GLN 132 Cb -0.01 -0.64 0.03 0.00 1.00 0.00 0.00 33.01 33.40 3ijr s GLN 132 CO -0.03 0.13 0.17 1.14 -2.12 0.00 0.00 175.29 174.58 3ijr s GLN 133 N -1.99 0.16 -0.42 2.91 -2.07 -1.26 -4.89 119.66 112.09 3ijr s GLN 133 Ca -0.02 0.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.88 3ijr s GLN 133 Cb -0.08 -0.04 0.12 0.00 -1.09 0.00 0.00 33.01 31.93 3ijr s GLN 133 CO 0.01 -0.10 0.20 0.71 -1.32 0.00 0.00 175.29 174.80 3ijr s TYR 134 N 0.66 2.40 0.41 9.60 2.02 -1.26 -4.75 117.35 126.43 3ijr s TYR 134 Ca -0.05 -2.54 -0.26 0.00 -0.37 0.00 0.00 57.07 53.85 3ijr s TYR 134 Cb -0.06 -2.18 -0.09 0.00 -0.40 0.00 0.00 41.96 39.23 3ijr s TYR 134 CO -0.03 -0.81 1.41 -2.14 -1.57 0.00 0.00 175.55 172.41 3ijr s PRO 135 N 0.49 3.90 0.04 -1.71 0.02 -1.26 -4.91 135.00 131.56 3ijr s PRO 135 Ca 0.15 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 3ijr s PRO 135 Cb -0.23 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 3ijr s PRO 135 CO -0.05 -0.64 -0.02 -0.65 -0.33 0.00 0.00 177.00 175.31 3ijr s GLN 136 N -2.27 0.51 0.54 5.54 -1.52 -0.06 -5.04 119.66 117.36 3ijr s GLN 136 Ca 0.57 -0.99 0.32 0.00 -1.95 0.00 0.00 55.36 53.32 3ijr s GLN 136 Cb -0.43 0.18 1.23 0.00 -0.22 0.00 0.00 33.01 33.76 3ijr s GLN 136 CO 0.57 -0.09 1.93 0.37 -0.25 0.00 0.00 175.29 177.82 3ijr h GLN 137 N 3.68 0.00 -1.47 2.91 4.15 -1.92 -3.39 115.11 119.07 3ijr h GLN 137 Ca -0.33 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.40 3ijr h GLN 137 Cb 1.17 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.73 3ijr h GLN 137 CO 0.57 0.00 0.82 0.20 -1.93 0.00 0.00 178.83 178.48 3ijr s GLY 138 N -4.18 -0.40 0.40 2.39 0.00 -1.26 -4.92 107.32 99.34 3ijr s GLY 138 Ca 0.02 0.79 0.10 0.00 0.00 0.00 0.00 44.72 45.63 3ijr s GLY 138 CO 0.56 0.17 1.98 -2.00 0.00 0.00 0.00 173.10 173.81 3ijr h LEU 139 N 2.00 0.51 -0.54 0.66 5.85 -1.90 -1.06 115.31 120.82 3ijr h LEU 139 Ca -0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3ijr h LEU 139 Cb 1.20 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3ijr h LEU 139 CO 0.28 0.32 0.00 -1.84 -0.34 0.00 0.00 178.44 176.86 3ijr n GLU 140 N -4.48 0.06 0.00 1.25 0.00 -1.26 -1.27 120.64 114.95 3ijr n GLU 140 Ca 0.10 0.51 0.11 0.00 0.00 0.00 0.00 57.16 57.88 3ijr n GLU 140 Cb 0.28 -1.69 0.07 0.00 0.00 0.00 0.00 31.44 30.10 3ijr n GLU 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ijr n TYR 141 N -1.82 0.00 -3.18 -1.84 4.02 -0.40 -4.87 117.16 109.08 3ijr n TYR 141 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3ijr n TYR 141 Cb 0.05 0.00 -0.07 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 -2.09 4.94 0.66 -0.72 1.01 -0.39 -5.01 121.20 119.59 3ijr s ILE 142 Ca 0.24 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 3ijr s ILE 142 Cb 0.19 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3ijr s ILE 142 CO 0.37 -0.36 1.05 0.42 0.00 0.00 0.00 174.94 176.42 3ijr s THR 143 N 2.57 4.31 0.35 2.92 -4.23 -1.26 -4.90 115.64 115.40 3ijr s THR 143 Ca 0.21 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.50 3ijr s THR 143 Cb -0.15 -3.64 0.21 0.00 1.34 0.00 0.00 72.50 70.26 3ijr s THR 143 CO 0.15 -0.98 1.95 0.00 -0.54 0.00 0.00 174.62 175.20 3ijr h ALA 144 N -0.52 1.47 0.10 3.99 0.00 -1.99 -0.73 119.26 121.59 3ijr h ALA 144 Ca -0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3ijr h ALA 144 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ijr h ALA 144 CO 0.60 0.41 -0.05 0.93 0.00 0.00 0.00 179.25 181.14 3ijr h GLU 145 N 0.66 -0.13 -0.73 0.00 3.07 -2.00 -1.72 114.58 113.73 3ijr h GLU 145 Ca 0.16 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3ijr h GLU 145 Cb 0.11 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 3ijr h GLU 145 CO -0.02 0.01 0.22 0.37 -1.40 0.00 0.00 179.01 178.19 3ijr h GLN 146 N -0.25 1.15 0.10 2.33 4.15 -1.86 -2.13 115.11 118.59 3ijr h GLN 146 Ca -0.01 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.17 3ijr h GLN 146 Cb 0.20 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3ijr h GLN 146 CO 0.02 0.98 -0.19 1.25 -1.93 0.00 0.00 178.83 178.97 3ijr h LEU 147 N 1.09 -0.53 -0.75 -2.39 5.85 -0.99 -0.78 115.31 116.81 3ijr h LEU 147 Ca 0.23 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 3ijr h LEU 147 Cb 0.32 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3ijr h LEU 147 CO -0.01 -0.27 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.40 3ijr h GLU 148 N -0.36 0.85 -0.21 1.25 5.08 -1.24 -1.62 114.58 118.33 3ijr h GLU 148 Ca 0.03 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3ijr h GLU 148 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ijr h GLU 148 CO -0.11 0.91 0.03 -0.22 -1.00 0.00 0.00 179.01 178.62 3ijr h LYS 149 N 0.77 0.36 -0.31 2.33 3.64 -1.24 0.29 116.57 122.40 3ijr h LYS 149 Ca 0.13 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3ijr h LYS 149 Cb 0.60 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3ijr h LYS 149 CO 0.04 0.51 0.13 1.15 -2.27 0.00 0.00 179.45 179.01 3ijr h THR 150 N 0.15 0.94 -0.56 1.00 2.02 -1.00 -1.92 112.91 113.54 3ijr h THR 150 Ca 0.06 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 3ijr h THR 150 Cb 0.33 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3ijr h THR 150 CO 0.01 0.05 -0.08 -0.26 0.37 0.00 0.00 175.52 175.61 3ijr h PHE 151 N 0.27 1.17 -0.54 3.16 -1.00 -1.17 -0.48 116.94 118.36 3ijr h PHE 151 Ca 0.14 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 60.69 3ijr h PHE 151 Cb 0.09 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 3ijr h PHE 151 CO -0.12 1.06 0.34 -0.09 -1.61 0.00 0.00 178.31 177.89 3ijr h ARG 152 N 0.93 0.72 0.16 1.51 2.43 -0.02 -0.92 114.38 119.19 3ijr h ARG 152 Ca 0.15 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 59.01 3ijr h ARG 152 Cb 0.65 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3ijr h ARG 152 CO 0.04 0.50 -1.23 0.97 -1.51 0.00 0.00 179.97 178.75 3ijr h ILE 153 N 0.72 1.25 0.00 1.20 6.09 -1.39 -2.14 117.51 123.24 3ijr h ILE 153 Ca 0.19 -2.51 -0.13 0.00 -1.37 0.00 0.00 64.86 61.04 3ijr h ILE 153 Cb -0.04 2.96 -0.02 0.00 0.47 0.00 0.00 36.82 40.19 3ijr h ILE 153 CO -0.04 0.74 -0.62 0.78 -3.07 0.00 0.00 178.15 175.95 3ijr h ASN 154 N -0.22 0.00 0.00 2.19 4.21 -1.08 -3.35 115.58 117.33 3ijr h ASN 154 Ca -0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.27 3ijr h ASN 154 Cb 1.82 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.02 3ijr h ASN 154 CO 0.14 0.62 -0.44 0.00 -1.29 0.00 0.00 177.43 176.45 3ijr n ILE 155 N -3.67 0.00 -0.28 2.81 0.13 -0.72 -4.61 119.36 113.02 3ijr n ILE 155 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.61 3ijr n ILE 155 Cb 0.64 -0.24 0.13 0.00 -0.84 0.00 0.00 39.64 39.34 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 1.12 -0.33 9.51 0.04 -1.20 -1.61 116.94 124.47 3ijr h PHE 156 Ca 0.00 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 3ijr h PHE 156 Cb 0.44 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3ijr h PHE 156 CO 0.00 0.79 0.05 0.66 -0.60 0.00 0.00 178.31 179.21 3ijr h SER 157 N 1.14 0.46 -0.69 2.17 4.64 -1.51 -0.33 113.55 119.43 3ijr h SER 157 Ca 0.28 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 3ijr h SER 157 Cb 0.05 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3ijr h SER 157 CO -0.04 0.49 0.19 1.88 -0.87 0.00 0.00 176.83 178.47 3ijr h TYR 158 N 0.48 1.13 -0.19 4.77 -1.99 -1.56 -1.54 116.97 118.07 3ijr h TYR 158 Ca 0.11 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 3ijr h TYR 158 Cb 0.24 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 3ijr h TYR 158 CO 0.01 0.92 0.11 0.74 -0.00 0.00 0.00 178.16 179.93 3ijr h PHE 159 N 1.02 0.26 -0.08 4.88 0.04 -0.43 -2.47 116.94 120.16 3ijr h PHE 159 Ca 0.22 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.88 3ijr h PHE 159 Cb 0.34 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.41 3ijr h PHE 159 CO 0.03 0.24 -0.33 0.45 -0.60 0.00 0.00 178.31 178.09 3ijr h HIS 160 N 0.21 0.48 -0.13 -0.55 3.86 -0.99 -0.89 115.15 117.15 3ijr h HIS 160 Ca 0.07 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3ijr h HIS 160 Cb 0.06 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3ijr h HIS 160 CO -0.04 0.95 0.07 0.28 0.86 0.00 0.00 177.93 180.04 3ijr h VAL 161 N -0.12 1.09 -0.52 2.45 2.07 -1.41 -1.77 116.25 118.04 3ijr h VAL 161 Ca -0.02 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3ijr h VAL 161 Cb 0.98 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3ijr h VAL 161 CO 0.07 0.08 0.25 0.74 0.02 0.00 0.00 177.57 178.74 3ijr h THR 162 N 0.11 1.20 -0.77 2.57 2.02 -1.47 0.16 112.91 116.73 3ijr h THR 162 Ca 0.04 -0.55 0.07 0.00 0.77 0.00 0.00 66.41 66.74 3ijr h THR 162 Cb 0.08 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 3ijr h THR 162 CO -0.01 0.22 0.45 0.50 0.37 0.00 0.00 175.52 177.05 3ijr h LYS 163 N 0.70 0.77 -0.26 6.66 3.64 -1.10 -1.40 116.57 125.58 3ijr h LYS 163 Ca 0.18 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 3ijr h LYS 163 Cb 0.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3ijr h LYS 163 CO -0.02 0.51 -0.42 0.00 -2.27 0.00 0.00 179.45 177.24 3ijr h ALA 164 N 1.40 0.77 -0.27 5.00 0.00 -0.81 -3.09 119.26 122.26 3ijr h ALA 164 Ca 0.35 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ijr h ALA 164 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ijr h ALA 164 CO -0.20 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.74 3ijr h ALA 165 N 1.01 1.56 -0.19 0.00 0.00 -0.02 -3.13 119.26 118.49 3ijr h ALA 165 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ijr h ALA 165 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ijr h ALA 165 CO 0.09 0.32 0.35 -0.07 0.00 0.00 0.00 179.25 179.94 3ijr h LEU 166 N 0.38 0.00 -1.38 0.00 3.38 -1.21 0.13 115.31 116.62 3ijr h LEU 166 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ijr h LEU 166 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ijr h LEU 166 CO 0.00 0.00 -0.08 0.28 0.09 0.00 0.00 178.44 178.73 3ijr h SER 167 N 0.00 0.00 0.00 -0.43 0.02 -1.74 -3.28 113.55 108.12 3ijr h SER 167 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3ijr h SER 167 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3ijr h SER 167 CO -0.00 0.08 -0.72 1.41 -1.14 0.00 0.00 176.83 176.46 3ijr n HIS 168 N -3.23 0.00 -2.97 3.45 8.25 0.41 -5.00 115.22 116.13 3ijr n HIS 168 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 3ijr n HIS 168 Cb 0.34 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.79 4.56 0.00 2.41 1.43 -0.86 -4.59 118.68 118.84 3ijr s LEU 169 Ca 0.01 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 3ijr s LEU 169 Cb 0.06 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 3ijr s LEU 169 CO 0.37 0.15 0.16 0.29 0.23 0.00 0.00 176.35 177.55 3ijr n LYS 170 N 1.94 0.56 -1.65 1.70 5.02 -1.26 -4.96 118.16 119.50 3ijr n LYS 170 Ca -0.05 -3.58 -0.48 0.00 -2.02 0.00 0.00 58.31 52.19 3ijr n LYS 170 Cb 0.49 1.99 -0.05 0.00 -0.02 0.00 0.00 35.03 37.44 3ijr n LYS 170 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3ijr n GLN 171 N -0.94 1.89 -0.08 1.97 7.27 -1.20 -0.88 117.38 125.41 3ijr n GLN 171 Ca -0.05 0.68 0.00 0.00 0.07 0.00 0.00 57.00 57.70 3ijr n GLN 171 Cb 0.64 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.86 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 3.25 0.57 3.93 1.69 0.00 1.00 -4.99 105.19 110.64 3ijr n GLY 172 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.63 5.11 -0.03 1.61 1.01 -0.06 -4.96 116.67 116.71 3ijr s ASP 173 Ca 0.00 0.43 -0.09 0.00 0.71 0.00 0.00 52.55 53.60 3ijr s ASP 173 Cb 0.00 -1.22 0.01 0.00 1.01 0.00 0.00 42.92 42.72 3ijr s ASP 173 CO 0.00 -1.37 0.21 -0.69 0.21 0.00 0.00 175.17 173.53 3ijr s VAL 174 N -3.08 0.05 -0.05 -1.27 1.01 -0.42 -2.42 120.40 114.21 3ijr s VAL 174 Ca 0.58 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3ijr s VAL 174 Cb -0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3ijr s VAL 174 CO 0.44 -0.22 -0.16 -0.63 0.00 0.00 0.00 175.10 174.52 3ijr s ILE 175 N -0.85 1.36 -0.06 2.22 1.01 -0.08 -1.23 121.20 123.57 3ijr s ILE 175 Ca -0.09 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3ijr s ILE 175 Cb -0.05 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.24 3ijr s ILE 175 CO 0.02 0.40 -0.15 -0.63 0.00 0.00 0.00 174.94 174.57 3ijr s ILE 176 N 0.12 1.33 -0.11 2.92 1.01 0.14 -2.12 121.20 124.50 3ijr s ILE 176 Ca -0.05 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3ijr s ILE 176 Cb -0.12 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3ijr s ILE 176 CO 0.02 0.39 -0.15 0.20 0.00 0.00 0.00 174.94 175.41 3ijr s ASN 177 N 0.34 3.87 -0.39 3.58 0.01 -0.58 -0.77 114.94 121.01 3ijr s ASN 177 Ca -0.10 -0.34 -0.25 0.00 -0.71 0.00 0.00 52.86 51.46 3ijr s ASN 177 Cb -0.14 -1.42 0.02 0.00 0.41 0.00 0.00 41.25 40.12 3ijr s ASN 177 CO 0.03 0.20 0.89 -0.89 -1.51 0.00 0.00 177.10 175.82 3ijr s THR 178 N 0.13 4.60 0.00 1.60 2.01 -0.03 -2.11 115.64 121.84 3ijr s THR 178 Ca -0.07 1.02 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3ijr s THR 178 Cb -0.15 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.04 3ijr s THR 178 CO 0.05 -0.57 0.00 0.00 -0.69 0.00 0.00 174.62 173.41 3ijr n ALA 179 N 6.76 0.00 -3.57 7.40 0.00 0.01 -4.87 120.51 126.23 3ijr n ALA 179 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 3ijr n ALA 179 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 0.51 0.00 0.15 -1.26 -4.50 113.70 107.40 3ijr s SER 180 Ca 0.00 0.02 0.18 0.00 0.70 0.00 0.00 55.95 56.86 3ijr s SER 180 Cb 0.00 0.20 1.28 0.00 -1.71 0.00 0.00 66.02 65.79 3ijr s SER 180 CO 0.00 -0.32 2.11 -0.29 1.20 0.00 0.00 173.24 175.94 3ijr h ILE 181 N 2.03 0.95 0.00 6.45 2.10 -1.54 -2.56 117.51 124.93 3ijr h ILE 181 Ca -0.12 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.58 3ijr h ILE 181 Cb 1.18 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 38.04 3ijr h ILE 181 CO 0.25 0.06 -0.04 -0.37 -1.08 0.00 0.00 178.15 176.98 3ijr h VAL 182 N 0.00 0.15 -0.32 2.19 -1.51 -1.86 0.25 116.25 115.14 3ijr h VAL 182 Ca -0.00 -0.38 -0.06 0.00 -1.23 0.00 0.00 66.70 65.02 3ijr h VAL 182 Cb 0.12 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 3ijr h VAL 182 CO 0.01 0.04 -0.06 0.00 -1.23 0.00 0.00 177.57 176.32 3ijr h ALA 183 N 1.96 1.29 0.09 5.19 0.00 -1.68 0.33 119.26 126.45 3ijr h ALA 183 Ca -0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 54.91 54.30 3ijr h ALA 183 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ijr h ALA 183 CO 0.00 0.47 -2.11 0.66 0.00 0.00 0.00 179.25 178.28 3ijr n TYR 184 N -4.24 0.96 0.01 0.00 4.01 -0.51 -4.53 117.16 112.86 3ijr n TYR 184 Ca 0.01 0.20 -0.17 0.00 -0.16 0.00 0.00 57.90 57.78 3ijr n TYR 184 Cb 0.29 -1.12 -0.14 0.00 -0.31 0.00 0.00 39.34 38.05 3ijr n TYR 184 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ijr h GLU 185 N 0.04 0.19 0.00 -0.72 5.08 -1.10 -3.51 114.58 114.56 3ijr h GLU 185 Ca -0.46 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 3ijr h GLU 185 Cb 2.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.37 3ijr h GLU 185 CO 0.04 0.99 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 3ijr n GLY 186 N 1.82 -0.93 2.89 -3.84 0.00 0.11 -5.02 105.19 100.22 3ijr n GLY 186 Ca -0.26 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.62 0.43 0.52 1.61 3.84 -1.26 -4.77 114.94 112.69 3ijr s ASN 187 Ca 0.00 0.12 0.29 0.00 0.21 0.00 0.00 52.86 53.47 3ijr s ASN 187 Cb 0.00 1.01 1.42 0.00 -0.55 0.00 0.00 41.25 43.13 3ijr s ASN 187 CO 0.00 -0.31 1.91 1.05 -2.79 0.00 0.00 177.10 176.97 3ijr h GLU 188 N 8.20 0.04 -0.16 0.43 4.11 -1.97 -1.21 114.58 124.02 3ijr h GLU 188 Ca -0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3ijr h GLU 188 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3ijr h GLU 188 CO 0.28 0.03 0.00 0.25 0.07 0.00 0.00 179.01 179.63 3ijr n THR 189 N -4.32 0.19 -2.84 -1.06 -2.24 -1.26 -4.39 114.28 98.35 3ijr n THR 189 Ca 0.16 -0.59 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 3ijr n THR 189 Cb 0.85 1.31 -0.01 0.00 -2.10 0.00 0.00 70.33 70.38 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 1.38 2.53 -0.08 3.22 4.77 -0.46 -0.88 117.00 127.49 3ijr n LEU 190 Ca 0.16 -4.81 -0.11 0.00 -0.03 0.00 0.00 56.01 51.22 3ijr n LEU 190 Cb 0.59 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 3ijr n LEU 190 CO 0.15 2.08 0.84 0.40 -1.33 0.00 0.00 177.39 179.53 3ijr h ILE 191 N 2.30 1.20 -0.03 -0.08 2.04 -1.76 0.33 117.51 121.52 3ijr h ILE 191 Ca 0.09 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3ijr h ILE 191 Cb 0.92 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3ijr h ILE 191 CO 0.64 0.21 -0.02 -2.24 0.00 0.00 0.00 178.15 176.74 3ijr h ASP 192 N 0.24 0.07 -0.47 1.72 2.03 -1.92 -2.29 116.42 115.80 3ijr h ASP 192 Ca 0.08 -0.43 0.08 0.00 -0.73 0.00 0.00 57.03 56.04 3ijr h ASP 192 Cb 0.25 -0.02 -0.07 0.00 -0.83 0.00 0.00 39.33 38.66 3ijr h ASP 192 CO -0.00 0.48 0.04 0.22 -1.03 0.00 0.00 179.24 178.95 3ijr h TYR 193 N -0.34 0.05 -0.59 4.15 3.20 -1.91 -1.57 116.97 119.97 3ijr h TYR 193 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3ijr h TYR 193 Cb 0.45 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 3ijr h TYR 193 CO 0.07 -0.06 0.35 0.66 -1.64 0.00 0.00 178.16 177.54 3ijr h SER 194 N 0.16 0.70 -0.10 -2.11 4.64 -0.30 -1.65 113.55 114.89 3ijr h SER 194 Ca 0.23 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.41 3ijr h SER 194 Cb 0.33 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3ijr h SER 194 CO -0.35 0.55 -0.27 0.00 -0.87 0.00 0.00 176.83 175.89 3ijr h ALA 195 N 1.58 1.02 -0.27 5.18 0.00 -0.72 -0.41 119.26 125.64 3ijr h ALA 195 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3ijr h ALA 195 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ijr h ALA 195 CO -0.04 0.59 -0.23 1.79 0.00 0.00 0.00 179.25 181.36 3ijr h THR 196 N 0.48 1.26 -0.17 0.00 1.35 -0.43 -1.23 112.91 114.17 3ijr h THR 196 Ca 0.07 -1.23 -0.15 0.00 -0.55 0.00 0.00 66.41 64.55 3ijr h THR 196 Cb 0.72 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3ijr h THR 196 CO 0.06 0.39 -0.53 0.11 -0.25 0.00 0.00 175.52 175.30 3ijr h LYS 197 N 0.44 0.48 -0.48 4.72 1.79 -0.82 -1.02 116.57 121.68 3ijr h LYS 197 Ca 0.07 -0.29 -0.09 0.00 -2.18 0.00 0.00 60.65 58.15 3ijr h LYS 197 Cb 0.64 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 3ijr h LYS 197 CO 0.05 0.89 -0.08 0.78 -1.08 0.00 0.00 179.45 180.01 3ijr h GLY 198 N 1.14 0.94 0.87 3.86 0.00 -0.86 -1.64 103.07 107.38 3ijr h GLY 198 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 47.33 46.67 3ijr h GLY 198 CO 0.10 0.65 0.38 0.00 0.00 0.00 0.00 176.54 177.67 3ijr h ALA 199 N 1.12 0.81 -0.88 3.60 0.00 -0.91 -1.67 119.26 121.33 3ijr h ALA 199 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ijr h ALA 199 Cb 0.58 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3ijr h ALA 199 CO 0.04 0.13 0.48 0.82 0.00 0.00 0.00 179.25 180.72 3ijr h ILE 200 N 0.76 1.25 -0.12 0.00 2.04 -0.73 0.18 117.51 120.89 3ijr h ILE 200 Ca 0.25 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3ijr h ILE 200 Cb 0.02 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3ijr h ILE 200 CO -0.10 0.28 0.04 0.58 0.00 0.00 0.00 178.15 178.95 3ijr h VAL 201 N 1.22 1.17 -0.68 1.67 2.07 -0.96 0.10 116.25 120.85 3ijr h VAL 201 Ca 0.31 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3ijr h VAL 201 Cb 0.02 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ijr h VAL 201 CO -0.05 0.15 0.13 0.00 0.02 0.00 0.00 177.57 177.83 3ijr h ALA 202 N 0.86 0.96 -0.40 1.67 0.00 -1.12 -1.98 119.26 119.24 3ijr h ALA 202 Ca 0.04 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ijr h ALA 202 Cb 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3ijr h ALA 202 CO -0.00 0.66 0.14 0.35 0.00 0.00 0.00 179.25 180.40 3ijr h PHE 203 N 1.03 0.25 -0.32 0.00 3.57 -0.41 -1.03 116.94 120.03 3ijr h PHE 203 Ca 0.21 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.75 3ijr h PHE 203 Cb 0.41 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3ijr h PHE 203 CO 0.03 0.09 0.17 1.15 -2.23 0.00 0.00 178.31 177.53 3ijr h THR 204 N 0.30 1.02 0.16 4.41 2.02 -0.49 0.91 112.91 121.23 3ijr h THR 204 Ca 0.19 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3ijr h THR 204 Cb 0.17 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3ijr h THR 204 CO -0.19 0.07 -0.08 0.03 0.37 0.00 0.00 175.52 175.71 3ijr h ARG 205 N 0.36 -0.21 -0.48 6.66 3.08 -1.06 -1.64 114.38 121.08 3ijr h ARG 205 Ca 0.13 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 3ijr h ARG 205 Cb 0.02 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3ijr h ARG 205 CO -0.07 -0.09 -0.01 0.77 -1.07 0.00 0.00 179.97 179.49 3ijr h SER 206 N -0.27 0.85 -0.47 7.04 0.02 -1.12 -2.88 113.55 116.72 3ijr h SER 206 Ca -0.02 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 3ijr h SER 206 Cb 0.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3ijr h SER 206 CO 0.04 0.95 0.01 0.25 -1.14 0.00 0.00 176.83 176.94 3ijr h LEU 207 N 0.72 0.86 -0.64 5.07 5.85 -0.78 -0.77 115.31 125.62 3ijr h LEU 207 Ca 0.14 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3ijr h LEU 207 Cb 0.53 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3ijr h LEU 207 CO 0.03 0.92 0.39 0.77 -0.34 0.00 0.00 178.44 180.21 3ijr h SER 208 N 0.83 0.63 -0.36 1.25 4.64 -1.20 -0.46 113.55 118.88 3ijr h SER 208 Ca 0.16 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 3ijr h SER 208 Cb 0.48 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3ijr h SER 208 CO 0.02 0.43 -0.29 1.56 -0.87 0.00 0.00 176.83 177.69 3ijr h GLN 209 N 0.76 0.88 -0.80 4.77 1.08 -1.27 -2.03 115.11 118.50 3ijr h GLN 209 Ca 0.26 -0.40 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3ijr h GLN 209 Cb 0.05 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 3ijr h GLN 209 CO -0.12 1.05 0.52 1.03 -0.95 0.00 0.00 178.83 180.37 3ijr h SER 210 N 0.75 0.89 -0.11 1.46 0.87 -0.11 -3.24 113.55 114.06 3ijr h SER 210 Ca 0.09 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3ijr h SER 210 Cb 0.85 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3ijr h SER 210 CO 0.07 0.64 0.00 0.18 -0.53 0.00 0.00 176.83 177.19 3ijr n LEU 211 N -4.55 2.96 -0.27 2.23 4.77 -0.28 -4.60 117.00 117.26 3ijr n LEU 211 Ca 0.08 -1.06 -0.03 0.00 -0.03 0.00 0.00 56.01 54.98 3ijr n LEU 211 Cb 0.04 -0.05 0.14 0.00 -2.33 0.00 0.00 43.42 41.21 3ijr n LEU 211 CO 0.35 0.53 1.16 1.62 -1.33 0.00 0.00 177.39 179.73 3ijr h VAL 212 N 4.44 1.24 0.00 4.08 3.04 -1.39 -1.42 116.25 126.23 3ijr h VAL 212 Ca 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3ijr h VAL 212 Cb 0.95 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 3ijr h VAL 212 CO 0.00 0.27 0.00 0.00 -1.01 0.00 0.00 177.57 176.83 3ijr n GLN 213 N -4.34 0.19 0.00 4.17 6.02 -1.26 -1.94 117.38 120.22 3ijr n GLN 213 Ca 0.08 0.27 0.13 0.00 -0.01 0.00 0.00 57.00 57.48 3ijr n GLN 213 Cb 0.10 -1.77 0.45 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.10 0.91 -1.80 -1.09 5.02 -0.56 -4.95 118.16 113.59 3ijr n LYS 214 Ca 0.04 -0.49 -0.03 0.00 -2.02 0.00 0.00 58.31 55.81 3ijr n LYS 214 Cb 0.33 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 1.30 0.34 3.31 0.72 0.00 -0.82 -3.26 105.19 106.78 3ijr n GLY 215 Ca 0.14 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.15 3.31 0.18 -0.61 1.01 -1.14 -0.00 121.20 121.80 3ijr s ILE 216 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3ijr s ILE 216 Cb 0.00 -2.50 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 3ijr s ILE 216 CO 0.00 0.43 0.53 -0.13 0.00 0.00 0.00 174.94 175.77 3ijr s ARG 217 N 1.40 3.86 -0.05 2.79 0.52 -1.02 -4.20 118.95 122.24 3ijr s ARG 217 Ca 0.05 0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 55.58 3ijr s ARG 217 Cb -0.14 -2.80 0.03 0.00 0.52 0.00 0.00 34.95 32.56 3ijr s ARG 217 CO -0.03 0.41 0.02 0.08 0.02 0.00 0.00 175.30 175.79 3ijr s VAL 218 N -1.64 0.20 0.29 3.52 1.01 -1.26 -0.91 120.40 121.62 3ijr s VAL 218 Ca 0.42 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.61 3ijr s VAL 218 Cb -0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 3ijr s VAL 218 CO 0.20 0.22 0.31 0.20 0.00 0.00 0.00 175.10 176.03 3ijr s ASN 219 N 1.87 0.90 0.16 3.32 0.01 -0.90 -0.36 114.94 119.94 3ijr s ASN 219 Ca 0.02 -1.51 -0.00 0.00 -0.71 0.00 0.00 52.86 50.66 3ijr s ASN 219 Cb -0.12 0.54 -0.04 0.00 0.41 0.00 0.00 41.25 42.03 3ijr s ASN 219 CO -0.04 -1.07 0.07 -0.83 -1.51 0.00 0.00 177.10 173.72 3ijr s GLY 220 N -3.25 1.19 -0.07 0.66 0.00 0.56 -1.53 107.32 104.88 3ijr s GLY 220 Ca 0.36 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.53 3ijr s GLY 220 CO 0.20 -1.42 -0.15 0.14 0.00 0.00 0.00 173.10 171.87 3ijr s VAL 221 N -3.99 1.37 -0.59 1.40 1.01 -0.90 -0.65 120.40 118.06 3ijr s VAL 221 Ca 0.29 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3ijr s VAL 221 Cb 0.07 -1.23 0.15 0.00 0.00 0.00 0.00 36.38 35.37 3ijr s VAL 221 CO 0.05 0.41 0.39 0.00 0.00 0.00 0.00 175.10 175.95 3ijr s ALA 222 N 0.58 3.50 0.54 5.51 0.00 0.18 -0.81 121.76 131.26 3ijr s ALA 222 Ca -0.16 -3.19 -0.20 0.00 0.00 0.00 0.00 51.96 48.41 3ijr s ALA 222 Cb -0.16 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.34 3ijr s ALA 222 CO 0.05 -2.06 1.13 -2.14 0.00 0.00 0.00 175.76 172.74 3ijr s PRO 223 N 0.01 3.38 0.00 0.00 0.02 -1.26 -2.56 135.00 134.58 3ijr s PRO 223 Ca 0.16 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3ijr s PRO 223 Cb -0.21 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3ijr s PRO 223 CO -0.03 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 3ijr n GLY 224 N 0.16 1.25 3.59 0.52 0.00 0.01 -1.76 105.19 108.96 3ijr n GLY 224 Ca 0.11 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 1.47 3.53 -0.11 1.61 0.04 -1.26 -4.88 135.00 135.40 3ijr s PRO 225 Ca 0.00 0.60 -0.00 0.00 0.04 0.00 0.00 61.00 61.64 3ijr s PRO 225 Cb 0.00 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 3ijr s PRO 225 CO 0.00 -1.63 -0.11 0.42 0.04 0.00 0.00 177.00 175.72 3ijr s ILE 226 N 5.26 3.27 -0.70 0.56 -1.09 -1.26 -0.61 121.20 126.64 3ijr s ILE 226 Ca 0.53 -0.60 -0.26 0.00 -2.23 0.00 0.00 60.65 58.09 3ijr s ILE 226 Cb -0.10 -2.37 -0.01 0.00 -1.58 0.00 0.00 42.46 38.40 3ijr s ILE 226 CO 0.29 0.54 1.75 0.86 -1.23 0.00 0.00 174.94 177.15 3ijr s TRP 227 N 0.04 1.84 0.28 3.97 -0.11 -0.74 -4.81 118.94 119.42 3ijr s TRP 227 Ca -0.04 0.53 0.02 0.00 1.22 0.00 0.00 56.10 57.84 3ijr s TRP 227 Cb -0.14 -4.21 -0.04 0.00 -1.50 0.00 0.00 33.47 27.58 3ijr s TRP 227 CO 0.04 -2.16 0.15 0.95 -4.62 0.00 0.00 176.95 171.30 3ijr s THR 228 N 8.41 0.30 -0.30 5.86 -4.23 -1.26 -4.48 115.64 119.94 3ijr s THR 228 Ca 0.61 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.35 3ijr s THR 228 Cb -0.10 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.45 3ijr s THR 228 CO 0.15 0.00 1.72 -0.65 -0.54 0.00 0.00 174.62 175.30 3ijr h PRO 229 N 2.30 0.00 -0.07 3.99 0.11 -1.91 -2.16 132.00 134.27 3ijr h PRO 229 Ca -0.34 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3ijr h PRO 229 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ijr h PRO 229 CO 0.53 0.00 -0.16 1.25 -0.21 0.00 0.00 178.00 179.41 3ijr h LEU 230 N 0.00 0.10 0.36 2.35 5.85 -1.93 -3.12 115.31 118.92 3ijr h LEU 230 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3ijr h LEU 230 Cb 0.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3ijr h LEU 230 CO 0.00 0.27 -0.17 0.40 -0.34 0.00 0.00 178.44 178.60 3ijr h ILE 231 N 0.10 0.00 0.00 4.05 1.08 -1.70 -2.91 117.51 118.13 3ijr h ILE 231 Ca 0.02 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3ijr h ILE 231 Cb 0.34 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3ijr h ILE 231 CO 0.02 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.67 3ijr n PRO 232 N -4.92 0.03 0.00 2.37 -0.04 -1.25 -1.70 135.00 129.49 3ijr n PRO 232 Ca -0.06 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 3ijr n PRO 232 Cb 0.19 -1.57 0.16 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.63 1.35 -0.01 3.54 3.41 -1.18 -0.29 113.62 118.81 3ijr n SER 233 Ca 0.03 -1.07 -0.02 0.00 -0.26 0.00 0.00 58.87 57.56 3ijr n SER 233 Cb 0.19 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 3ijr n SER 233 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ijr n SER 234 N -0.61 2.73 -4.90 4.04 3.41 -1.08 -4.58 113.62 112.63 3ijr n SER 234 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.41 3ijr n SER 234 Cb 0.39 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.04 3.47 0.72 7.33 0.08 -0.69 -4.56 117.98 122.29 3ijr s PHE 235 Ca -0.03 0.67 -0.11 0.00 0.12 0.00 0.00 56.93 57.58 3ijr s PHE 235 Cb 0.01 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3ijr s PHE 235 CO 0.04 0.17 1.10 0.16 -0.10 0.00 0.00 175.22 176.58 3ijr s ASP 236 N -3.12 5.33 0.25 1.36 3.84 -1.26 -4.72 116.67 118.34 3ijr s ASP 236 Ca 0.44 1.17 -0.04 0.00 -0.00 0.00 0.00 52.55 54.12 3ijr s ASP 236 Cb -0.11 -1.96 0.48 0.00 -1.38 0.00 0.00 42.92 39.95 3ijr s ASP 236 CO 0.29 -1.42 1.70 1.05 -0.00 0.00 0.00 175.17 176.79 3ijr h GLU 237 N -0.71 0.32 -0.23 2.11 9.09 -1.94 -0.47 114.58 122.76 3ijr h GLU 237 Ca -0.45 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 59.00 3ijr h GLU 237 Cb 1.25 -0.07 -0.07 0.00 -1.65 0.00 0.00 28.75 28.21 3ijr h GLU 237 CO 0.63 0.21 -0.30 -0.22 0.05 0.00 0.00 179.01 179.38 3ijr h LYS 238 N 0.33 -0.31 0.00 1.06 1.63 -1.93 0.32 116.57 117.66 3ijr h LYS 238 Ca 0.42 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.19 3ijr h LYS 238 Cb 0.71 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 3ijr h LYS 238 CO -0.48 -0.21 -0.28 -0.22 -3.45 0.00 0.00 179.45 174.81 3ijr h LYS 239 N -0.32 0.00 -0.16 1.90 1.63 -1.72 -2.91 116.57 114.98 3ijr h LYS 239 Ca 0.13 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.74 3ijr h LYS 239 Cb 0.52 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3ijr h LYS 239 CO -0.41 0.28 -0.64 0.28 -3.45 0.00 0.00 179.45 175.51 3ijr h VAL 240 N 0.00 1.32 0.00 2.00 2.07 -0.58 -2.69 116.25 118.37 3ijr h VAL 240 Ca -0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.60 3ijr h VAL 240 Cb 0.96 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3ijr h VAL 240 CO 0.04 0.60 0.00 -1.54 0.02 0.00 0.00 177.57 176.68 3ijr n SER 241 N -3.93 0.00 -0.10 0.57 3.41 0.05 -2.46 113.62 111.17 3ijr n SER 241 Ca -0.04 0.48 0.01 0.00 -0.26 0.00 0.00 58.87 59.06 3ijr n SER 241 Cb 0.66 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3ijr n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ijr n GLN 242 N -1.49 2.29 -1.66 4.33 6.02 -1.19 -0.88 117.38 124.80 3ijr n GLN 242 Ca 0.05 -1.41 -0.48 0.00 -0.01 0.00 0.00 57.00 55.15 3ijr n GLN 242 Cb 0.24 -1.04 -0.05 0.00 1.02 0.00 0.00 30.24 30.41 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 -0.26 2.13 -0.99 1.08 7.35 -1.02 -1.88 117.46 123.88 3ijr n PHE 243 Ca 0.02 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 3ijr n PHE 243 Cb 0.24 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.54 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 3.50 0.63 0.08 7.13 0.00 -1.26 -4.25 105.19 111.01 3ijr n GLY 244 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.03 0.61 -0.16 1.61 3.41 -0.79 -1.57 113.62 116.70 3ijr n SER 245 Ca 0.00 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 3ijr n SER 245 Cb 0.02 -0.71 0.25 0.00 -0.26 0.00 0.00 64.21 63.51 3ijr n SER 245 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ijr n ASN 246 N -2.07 0.94 -4.89 4.04 6.94 -1.26 -4.69 115.26 114.27 3ijr n ASN 246 Ca 0.06 -0.74 -0.29 0.00 -0.02 0.00 0.00 54.58 53.59 3ijr n ASN 246 Cb 0.41 0.29 0.01 0.00 -2.36 0.00 0.00 39.78 38.13 3ijr n ASN 246 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3ijr s VAL 247 N -2.72 4.58 0.00 3.53 -7.23 -1.24 -4.94 120.40 112.37 3ijr s VAL 247 Ca 0.18 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.87 3ijr s VAL 247 Cb 0.18 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.33 3ijr s VAL 247 CO 0.62 -0.94 0.00 -2.65 -0.31 0.00 0.00 175.10 171.82 3ijr n PRO 248 N -2.59 0.00 -2.04 4.82 -0.02 -1.15 -4.55 135.00 129.48 3ijr n PRO 248 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 3ijr n PRO 248 Cb 0.55 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.67 0.01 -3.58 -0.52 6.02 -1.26 -5.04 117.38 114.67 3ijr n GLN 250 Ca 0.00 -0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 56.65 3ijr n GLN 250 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 3ijr n GLN 250 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3ijr s ARG 251 N 0.00 0.54 0.84 -1.09 1.70 -0.61 -4.79 118.95 115.54 3ijr s ARG 251 Ca 0.00 0.12 -0.12 0.00 -0.47 0.00 0.00 55.73 55.26 3ijr s ARG 251 Cb 0.00 0.26 0.09 0.00 -0.57 0.00 0.00 34.95 34.73 3ijr s ARG 251 CO -0.00 -0.17 1.12 -1.25 -1.08 0.00 0.00 175.30 173.92 3ijr s PRO 252 N -1.18 1.75 0.50 3.89 0.04 -1.24 -4.81 135.00 133.95 3ijr s PRO 252 Ca -0.00 0.45 -0.03 0.00 0.04 0.00 0.00 61.00 61.46 3ijr s PRO 252 Cb -0.01 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3ijr s PRO 252 CO 0.00 -1.81 0.76 0.20 0.04 0.00 0.00 177.00 176.20 3ijr s GLY 253 N -4.04 1.55 0.08 0.56 0.00 0.22 -4.92 107.32 100.78 3ijr s GLY 253 Ca 0.62 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.54 3ijr s GLY 253 CO 0.53 -0.62 0.12 1.20 0.00 0.00 0.00 173.10 174.33 3ijr s GLN 254 N -4.73 3.02 0.46 2.90 -1.52 -1.26 -1.79 119.66 116.75 3ijr s GLN 254 Ca 0.50 -0.64 0.20 0.00 -1.95 0.00 0.00 55.36 53.47 3ijr s GLN 254 Cb -0.10 -2.80 1.20 0.00 -0.22 0.00 0.00 33.01 31.08 3ijr s GLN 254 CO 0.42 0.57 1.92 -1.35 -0.25 0.00 0.00 175.29 176.59 3ijr h PRO 255 N 3.18 0.26 0.00 2.91 0.11 -1.75 -0.88 132.00 135.82 3ijr h PRO 255 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3ijr h PRO 255 Cb 1.16 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ijr h PRO 255 CO 0.68 0.17 -0.10 0.10 -0.21 0.00 0.00 178.00 178.64 3ijr h TYR 256 N 0.26 0.00 0.00 0.65 -0.00 -1.47 -1.68 116.97 114.73 3ijr h TYR 256 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 3ijr h TYR 256 Cb 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 0.10 0.00 0.39 -0.00 0.00 0.00 178.16 178.65 3ijr n GLU 257 N -3.43 0.13 -0.05 0.10 1.02 -0.34 -2.86 120.64 115.21 3ijr n GLU 257 Ca -0.01 0.10 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 3ijr n GLU 257 Cb 0.26 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.41 0.47 -0.21 -4.62 7.99 -0.63 -4.63 117.00 113.95 3ijr n LEU 258 Ca 0.07 0.22 -0.03 0.00 -0.01 0.00 0.00 56.01 56.27 3ijr n LEU 258 Cb 0.22 0.31 0.08 0.00 -0.11 0.00 0.00 43.42 43.92 3ijr n LEU 258 CO 0.19 0.42 1.07 0.00 -1.51 0.00 0.00 177.39 177.56 3ijr h ALA 259 N 1.03 0.80 0.00 -1.18 0.00 -1.55 -2.15 119.26 116.21 3ijr h ALA 259 Ca -0.40 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3ijr h ALA 259 Cb 2.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 3ijr h ALA 259 CO 0.05 0.01 -0.03 -1.35 0.00 0.00 0.00 179.25 177.93 3ijr h PRO 260 N 0.63 0.00 -0.55 0.00 0.11 -1.82 -0.44 132.00 129.93 3ijr h PRO 260 Ca 0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.27 3ijr h PRO 260 Cb 0.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3ijr h PRO 260 CO -0.16 0.03 -0.06 0.00 -0.21 0.00 0.00 178.00 177.60 3ijr h ALA 261 N 1.97 0.85 -0.49 -0.75 0.00 -1.68 -0.16 119.26 118.99 3ijr h ALA 261 Ca -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3ijr h ALA 261 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ijr h ALA 261 CO 0.00 0.66 -0.20 1.88 0.00 0.00 0.00 179.25 181.59 3ijr h TYR 262 N 0.90 1.14 -0.56 0.00 0.05 -1.13 -1.23 116.97 116.13 3ijr h TYR 262 Ca 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 3ijr h TYR 262 Cb 0.61 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 3ijr h TYR 262 CO 0.04 1.09 0.33 0.28 -1.05 0.00 0.00 178.16 178.85 3ijr h VAL 263 N 0.86 1.17 0.17 -2.88 2.07 -0.94 0.34 116.25 117.05 3ijr h VAL 263 Ca 0.11 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3ijr h VAL 263 Cb 0.78 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3ijr h VAL 263 CO 0.06 0.18 -0.18 0.22 0.02 0.00 0.00 177.57 177.87 3ijr h TYR 264 N 0.76 -0.48 0.00 1.57 3.20 -0.80 -2.31 116.97 118.90 3ijr h TYR 264 Ca 0.20 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3ijr h TYR 264 Cb 0.01 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3ijr h TYR 264 CO -0.02 -0.28 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.83 3ijr h LEU 265 N -0.39 0.00 0.00 2.82 3.38 -0.92 -3.11 115.31 117.08 3ijr h LEU 265 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3ijr h LEU 265 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3ijr h LEU 265 CO -0.05 0.32 -0.31 0.00 0.09 0.00 0.00 178.44 178.49 3ijr h ALA 266 N 1.68 0.82 -1.43 1.53 0.00 -0.15 -3.46 119.26 118.26 3ijr h ALA 266 Ca -0.00 -0.23 -0.45 0.00 0.00 0.00 0.00 54.91 54.23 3ijr h ALA 266 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ijr h ALA 266 CO 0.04 0.30 -0.30 -1.54 0.00 0.00 0.00 179.25 177.76 3ijr s SER 267 N -6.27 5.40 0.00 0.00 1.04 -0.88 -4.88 113.70 108.11 3ijr s SER 267 Ca 0.05 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 55.98 3ijr s SER 267 Cb 0.06 -0.57 0.33 0.00 0.10 0.00 0.00 66.02 65.94 3ijr s SER 267 CO 0.71 -0.75 1.04 -1.54 0.98 0.00 0.00 173.24 173.68 3ijr n SER 268 N -1.76 0.00 0.28 7.02 3.41 -1.26 -1.96 113.62 119.35 3ijr n SER 268 Ca 0.07 0.15 0.14 0.00 -0.26 0.00 0.00 58.87 58.96 3ijr n SER 268 Cb 0.60 -0.26 0.84 0.00 -0.26 0.00 0.00 64.21 65.13 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 -0.50 4.04 3.32 -1.91 -2.41 116.42 118.96 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 0.05 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.42 3ijr h ASP 269 CO 0.00 0.03 -0.08 -1.54 -1.72 0.00 0.00 179.24 175.93 3ijr n SER 270 N -3.89 3.39 0.18 6.45 3.41 -0.83 -4.79 113.62 117.54 3ijr n SER 270 Ca -0.03 -3.79 0.18 0.00 -0.26 0.00 0.00 58.87 54.98 3ijr n SER 270 Cb 0.12 -0.63 0.80 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.28 0.00 -0.46 4.04 4.64 -1.61 -0.86 113.55 120.58 3ijr h SER 271 Ca 0.30 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.49 3ijr h SER 271 Cb 1.60 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.61 3ijr h SER 271 CO 0.59 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.64 3ijr n TYR 272 N -3.58 1.53 -4.07 4.77 9.36 -1.26 -4.92 117.16 118.99 3ijr n TYR 272 Ca 0.03 -1.21 -0.32 0.00 3.32 0.00 0.00 57.90 59.73 3ijr n TYR 272 Cb 0.45 -0.50 -0.16 0.00 -0.63 0.00 0.00 39.34 38.50 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 -3.02 1.84 -0.07 2.97 1.01 -0.33 -5.10 120.40 117.70 3ijr s VAL 273 Ca 0.47 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3ijr s VAL 273 Cb 0.40 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 35.09 3ijr s VAL 273 CO 0.08 0.43 0.43 0.28 0.00 0.00 0.00 175.10 176.32 3ijr s THR 274 N 1.36 0.03 0.00 3.92 -1.32 -1.26 -4.73 115.64 113.64 3ijr s THR 274 Ca 0.03 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 3ijr s THR 274 Cb -0.14 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 3ijr s THR 274 CO -0.11 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 3ijr n GLY 275 N 1.71 0.57 0.00 6.08 0.00 0.52 -4.98 105.19 109.08 3ijr n GLY 275 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.86 3.57 -3.64 1.61 1.13 -1.26 -4.69 117.38 111.25 3ijr n GLN 276 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 3ijr n GLN 276 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 3ijr n GLN 276 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ijr s ILE 278 N 3.65 -0.70 -0.43 5.09 -1.09 0.18 -0.33 121.20 127.57 3ijr s ILE 278 Ca 0.00 0.13 -0.18 0.00 -2.23 0.00 0.00 60.65 58.37 3ijr s ILE 278 Cb 0.00 -0.72 0.02 0.00 -1.58 0.00 0.00 42.46 40.18 3ijr s ILE 278 CO 0.00 0.05 0.50 -1.00 -1.23 0.00 0.00 174.94 173.26 3ijr s HIS 279 N 2.65 3.14 -0.62 3.97 3.76 -1.26 -0.65 115.29 126.28 3ijr s HIS 279 Ca -0.02 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.64 3ijr s HIS 279 Cb -0.12 -3.02 0.15 0.00 1.11 0.00 0.00 32.58 30.70 3ijr s HIS 279 CO -0.14 -0.75 0.40 0.08 -0.85 0.00 0.00 174.74 173.48 3ijr s VAL 280 N 2.33 2.99 -0.01 -0.90 1.01 -1.06 -4.90 120.40 119.86 3ijr s VAL 280 Ca 0.15 -3.61 0.01 0.00 0.00 0.00 0.00 61.98 58.53 3ijr s VAL 280 Cb -0.16 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3ijr s VAL 280 CO 0.15 -0.90 0.81 -0.46 0.00 0.00 0.00 175.10 174.70 3ijr n ASN 281 N 2.75 0.31 -0.17 3.32 0.23 -1.26 -0.81 115.26 119.62 3ijr n ASN 281 Ca 0.11 -1.67 -0.02 0.00 -0.53 0.00 0.00 54.58 52.47 3ijr n ASN 281 Cb 0.34 -0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 37.91 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 -0.14 0.57 0.00 4.83 0.00 -1.26 -4.05 105.19 105.14 3ijr n GLY 282 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.59 1.05 3.68 -0.02 0.00 -1.26 -2.94 105.19 103.10 3ijr n GLY 283 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.75 -0.05 1.61 1.01 -1.26 -4.63 120.40 119.82 3ijr s VAL 284 Ca 0.00 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.73 3ijr s VAL 284 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3ijr s VAL 284 CO 0.00 -0.05 0.95 -0.63 0.00 0.00 0.00 175.10 175.37 3ijr s ILE 285 N 2.37 4.86 -0.11 2.22 -1.09 -1.26 -4.93 121.20 123.26 3ijr s ILE 285 Ca 0.47 1.96 0.17 0.00 -2.23 0.00 0.00 60.65 61.03 3ijr s ILE 285 Cb -0.17 -4.28 0.41 0.00 -1.58 0.00 0.00 42.46 36.84 3ijr s ILE 285 CO 0.14 0.11 1.19 1.33 -1.23 0.00 0.00 174.94 176.49 3ijr n VAL 286 N 4.16 1.20 -3.20 2.92 0.24 -1.26 -4.94 118.33 117.45 3ijr n VAL 286 Ca 0.06 -2.19 -0.23 0.00 -2.04 0.00 0.00 64.34 59.94 3ijr n VAL 286 Cb 0.50 0.31 0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.40 -4.97 0.00 -1.34 5.15 -1.26 -5.03 115.26 107.41 3ijr n ASN 287 Ca 0.13 -0.34 0.15 0.00 -0.60 0.00 0.00 54.58 53.92 3ijr n ASN 287 Cb 0.89 -4.05 0.91 0.00 -0.53 0.00 0.00 39.78 37.01 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27