#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijr s PRO 11 N 0.00 2.51 0.18 -0.78 0.02 -1.26 -4.92 135.00 130.74 3ijr s PRO 11 Ca 0.00 -0.75 -0.33 0.00 0.02 0.00 0.00 61.00 59.95 3ijr s PRO 11 Cb 0.00 -2.47 -0.13 0.00 0.02 0.00 0.00 34.50 31.92 3ijr s PRO 11 CO 0.00 0.60 1.68 0.00 -0.33 0.00 0.00 177.00 178.94 3ijr n ALA 12 N 1.55 2.21 -3.55 -1.55 0.00 -1.26 -4.54 120.51 113.38 3ijr n ALA 12 Ca -0.15 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 3ijr n ALA 12 Cb 0.52 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 3ijr n ALA 12 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ijr s GLN 13 N 1.19 0.66 -0.26 0.00 -2.07 -1.26 -5.04 119.66 112.88 3ijr s GLN 13 Ca 0.77 -0.04 -0.06 0.00 -1.82 0.00 0.00 55.36 54.21 3ijr s GLN 13 Cb -0.57 0.31 0.13 0.00 -1.09 0.00 0.00 33.01 31.78 3ijr s GLN 13 CO 0.35 -0.24 0.52 -1.58 -1.32 0.00 0.00 175.29 173.01 3ijr s HIS 14 N -1.95 -1.12 0.27 9.60 2.46 -1.26 -4.11 115.29 119.18 3ijr s HIS 14 Ca 0.02 1.71 -0.29 0.00 0.47 0.00 0.00 55.06 56.97 3ijr s HIS 14 Cb -0.01 0.47 -0.09 0.00 -0.13 0.00 0.00 32.58 32.82 3ijr s HIS 14 CO -0.03 -0.65 0.98 -0.65 -2.47 0.00 0.00 174.74 171.92 3ijr s GLN 15 N 2.74 4.72 0.24 2.88 -0.21 -0.69 -4.97 119.66 124.37 3ijr s GLN 15 Ca 0.03 1.52 0.03 0.00 0.02 0.00 0.00 55.36 56.96 3ijr s GLN 15 Cb -0.13 -3.12 0.25 0.00 1.00 0.00 0.00 33.01 31.01 3ijr s GLN 15 CO -0.17 0.37 1.57 -0.97 -2.12 0.00 0.00 175.29 173.98 3ijr h ASN 16 N 3.79 0.36 -1.84 5.90 -0.73 -1.93 -3.40 115.58 117.74 3ijr h ASN 16 Ca -0.46 -0.19 -0.62 0.00 1.87 0.00 0.00 56.30 56.90 3ijr h ASN 16 Cb 1.20 -0.10 -0.13 0.00 0.27 0.00 0.00 38.32 39.56 3ijr h ASN 16 CO 0.67 0.84 -0.64 -1.59 -0.37 0.00 0.00 177.43 176.34 3ijr s LYS 17 N -3.90 1.88 0.01 6.67 -2.85 -1.26 -5.09 119.74 115.19 3ijr s LYS 17 Ca -0.05 -2.02 0.03 0.00 -1.00 0.00 0.00 55.97 52.93 3ijr s LYS 17 Cb 0.12 -1.65 -0.01 0.00 -2.06 0.00 0.00 37.83 34.23 3ijr s LYS 17 CO 0.80 0.04 -0.10 -1.14 0.10 0.00 0.00 175.35 175.05 3ijr s GLN 18 N -3.67 0.74 0.58 1.78 0.74 -1.26 -4.14 119.66 114.43 3ijr s GLN 18 Ca 0.34 -0.46 -0.20 0.00 0.05 0.00 0.00 55.36 55.09 3ijr s GLN 18 Cb 0.06 -0.70 -0.03 0.00 1.10 0.00 0.00 33.01 33.44 3ijr s GLN 18 CO 0.17 0.18 1.30 -1.25 -0.55 0.00 0.00 175.29 175.15 3ijr s PRO 19 N -0.55 2.94 0.83 1.67 0.04 -1.26 -5.15 135.00 133.52 3ijr s PRO 19 Ca 0.02 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 3ijr s PRO 19 Cb -0.05 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.51 3ijr s PRO 19 CO 0.00 -1.30 1.09 0.20 0.04 0.00 0.00 177.00 177.03 3ijr s GLY 20 N -1.22 1.65 -0.23 0.56 0.00 -1.25 -5.04 107.32 101.79 3ijr s GLY 20 Ca 0.76 0.12 -0.05 0.00 0.00 0.00 0.00 44.72 45.54 3ijr s GLY 20 CO 0.42 0.53 0.00 -0.42 0.00 0.00 0.00 173.10 173.64 3ijr s ILE 21 N -2.91 3.81 0.32 0.90 -1.09 -1.26 -4.91 121.20 116.05 3ijr s ILE 21 Ca 0.62 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.75 3ijr s ILE 21 Cb -0.18 -2.75 0.09 0.00 -1.58 0.00 0.00 42.46 38.05 3ijr s ILE 21 CO 0.57 0.40 1.78 -0.08 -1.23 0.00 0.00 174.94 176.37 3ijr h GLU 22 N 8.03 0.37 0.00 2.79 4.81 -1.96 -2.93 114.58 125.69 3ijr h GLU 22 Ca -0.39 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3ijr h GLU 22 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3ijr h GLU 22 CO 0.60 0.58 0.00 0.66 -0.73 0.00 0.00 179.01 180.12 3ijr h SER 23 N 0.34 0.00 -0.74 1.04 4.64 -1.98 -3.46 113.55 113.39 3ijr h SER 23 Ca 0.05 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.81 3ijr h SER 23 Cb 0.59 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.57 3ijr h SER 23 CO 0.04 0.00 1.60 0.18 -0.87 0.00 0.00 176.83 177.78 3ijr n LEU 24 N -2.99 7.25 0.00 5.97 4.77 -1.11 -5.10 117.00 125.79 3ijr n LEU 24 Ca -0.01 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 3ijr n LEU 24 Cb 0.21 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 3ijr n LEU 24 CO 0.23 1.91 0.00 -3.20 -1.33 0.00 0.00 177.39 175.00 3ijr n ASN 26 N 1.91 0.00 -4.74 -1.43 2.85 -1.26 -5.09 115.26 107.49 3ijr n ASN 26 Ca 0.58 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.72 3ijr n ASN 26 Cb 0.44 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.55 3ijr n ASN 26 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3ijr s PRO 27 N 0.00 2.31 0.16 1.20 0.02 -1.26 -4.65 135.00 132.78 3ijr s PRO 27 Ca 0.00 1.55 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 3ijr s PRO 27 Cb 0.00 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 3ijr s PRO 27 CO 0.00 -1.66 1.23 -0.51 -0.33 0.00 0.00 177.00 175.73 3ijr s LEU 28 N -5.21 4.42 0.27 -5.54 1.43 -1.26 -4.96 118.68 107.84 3ijr s LEU 28 Ca 0.70 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.71 3ijr s LEU 28 Cb -0.24 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.25 3ijr s LEU 28 CO 0.46 -0.43 1.51 -2.65 0.23 0.00 0.00 176.35 175.46 3ijr n PRO 29 N 2.91 2.40 -2.59 1.29 -0.02 -1.26 -4.88 135.00 132.85 3ijr n PRO 29 Ca 0.06 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 3ijr n PRO 29 Cb 0.45 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 3ijr n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ijr s GLN 30 N -0.52 3.32 0.00 -0.52 -0.21 -1.26 -4.81 119.66 115.66 3ijr s GLN 30 Ca 0.65 -0.09 0.25 0.00 0.02 0.00 0.00 55.36 56.19 3ijr s GLN 30 Cb -0.56 -4.11 0.35 0.00 1.00 0.00 0.00 33.01 29.68 3ijr s GLN 30 CO 0.49 -1.92 1.33 1.97 -2.12 0.00 0.00 175.29 175.04 3ijr n PHE 31 N 8.85 0.00 -4.30 0.91 1.16 -1.26 -2.36 117.46 120.46 3ijr n PHE 31 Ca 0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.45 3ijr n PHE 31 Cb 0.49 -0.02 -0.15 0.00 -1.61 0.00 0.00 39.48 38.19 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 -2.23 0.68 -0.44 3.97 2.12 -1.26 -4.24 118.70 117.31 3ijr s GLU 32 Ca 0.26 -0.27 -0.17 0.00 0.36 0.00 0.00 54.97 55.16 3ijr s GLU 32 Cb 0.19 -0.66 0.03 0.00 0.26 0.00 0.00 34.13 33.96 3ijr s GLU 32 CO 0.43 0.14 0.43 0.34 -0.54 0.00 0.00 175.26 176.06 3ijr s ASP 33 N -0.04 6.18 0.41 -1.70 2.15 -1.26 -4.93 116.67 117.48 3ijr s ASP 33 Ca 0.01 -0.84 0.15 0.00 0.43 0.00 0.00 52.55 52.29 3ijr s ASP 33 Cb -0.05 -2.22 1.01 0.00 -0.30 0.00 0.00 42.92 41.37 3ijr s ASP 33 CO -0.00 -0.61 1.89 -0.65 -0.17 0.00 0.00 175.17 175.63 3ijr h PRO 34 N 8.75 0.46 0.00 4.34 0.11 -2.02 0.10 132.00 143.74 3ijr h PRO 34 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ijr h PRO 34 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ijr h PRO 34 CO 0.82 0.30 0.00 0.09 -0.21 0.00 0.00 178.00 179.00 3ijr n ASN 35 N -4.50 0.00 -4.67 -2.05 3.02 -1.26 -4.89 115.26 100.90 3ijr n ASN 35 Ca 0.16 0.37 -0.46 0.00 -0.03 0.00 0.00 54.58 54.63 3ijr n ASN 35 Cb 0.55 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3ijr n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ijr n TYR 36 N -1.46 2.25 -4.03 3.10 9.36 0.35 -4.97 117.16 121.77 3ijr n TYR 36 Ca 0.08 0.30 -0.30 0.00 3.32 0.00 0.00 57.90 61.30 3ijr n TYR 36 Cb 0.32 -2.53 -0.16 0.00 -0.63 0.00 0.00 39.34 36.34 3ijr n TYR 36 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3ijr s LYS 37 N 0.65 2.34 0.61 2.98 1.02 -1.26 -5.04 119.74 121.04 3ijr s LYS 37 Ca 0.77 -0.63 -0.15 0.00 0.02 0.00 0.00 55.97 55.98 3ijr s LYS 37 Cb -0.68 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3ijr s LYS 37 CO 0.40 -0.26 1.06 0.20 -0.92 0.00 0.00 175.35 175.83 3ijr s GLY 38 N 1.45 2.05 -0.08 -3.33 0.00 -1.26 -5.00 107.32 101.15 3ijr s GLY 38 Ca 0.04 0.34 0.21 0.00 0.00 0.00 0.00 44.72 45.31 3ijr s GLY 38 CO -0.11 0.66 1.15 -1.14 0.00 0.00 0.00 173.10 173.66 3ijr n SER 39 N -2.20 0.69 -2.89 1.64 3.41 -1.26 -5.01 113.62 107.99 3ijr n SER 39 Ca 0.08 -2.02 -0.20 0.00 -0.26 0.00 0.00 58.87 56.48 3ijr n SER 39 Cb 0.53 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.05 -3.30 0.22 4.33 1.02 -1.26 -4.87 120.64 116.83 3ijr n GLU 40 Ca -0.00 0.70 0.05 0.00 -0.02 0.00 0.00 57.16 57.89 3ijr n GLU 40 Cb 0.99 -5.42 0.49 0.00 -0.02 0.00 0.00 31.44 27.48 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 -0.71 0.00 -0.55 3.49 1.57 -1.91 -2.97 116.57 115.49 3ijr h LYS 41 Ca -0.43 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 57.95 3ijr h LYS 41 Cb 1.30 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.25 3ijr h LYS 41 CO 0.50 0.20 -0.84 1.28 -0.57 0.00 0.00 179.45 180.02 3ijr n LEU 42 N -4.29 3.85 -4.64 2.94 4.77 -0.18 -4.61 117.00 114.83 3ijr n LEU 42 Ca -0.02 -4.21 -0.48 0.00 -0.03 0.00 0.00 56.01 51.27 3ijr n LEU 42 Cb 0.26 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3ijr n LEU 42 CO 0.36 1.75 1.59 1.17 -1.33 0.00 0.00 177.39 180.93 3ijr n LYS 43 N -0.70 2.05 -0.74 3.23 4.81 -0.94 -2.00 118.16 123.87 3ijr n LYS 43 Ca 0.32 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 3ijr n LYS 43 Cb 0.91 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 33.24 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 4.87 0.98 3.77 3.14 0.00 -0.28 -4.95 105.19 112.72 3ijr n GLY 44 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 3ijr n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijr s LYS 45 N -0.21 3.13 -0.23 1.61 -0.14 -0.85 -4.81 119.74 118.25 3ijr s LYS 45 Ca 0.00 1.56 -0.04 0.00 -1.36 0.00 0.00 55.97 56.13 3ijr s LYS 45 Cb 0.00 -1.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.16 3ijr s LYS 45 CO 0.00 -1.02 -0.02 -0.80 -0.76 0.00 0.00 175.35 172.75 3ijr s ASN 46 N -2.02 4.46 -0.08 2.83 0.01 -1.26 -1.27 114.94 117.61 3ijr s ASN 46 Ca 0.71 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 52.48 3ijr s ASN 46 Cb -0.23 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 3ijr s ASN 46 CO 0.32 -0.03 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.09 3ijr s VAL 47 N 1.49 3.47 -0.19 1.60 1.01 0.36 -1.31 120.40 126.83 3ijr s VAL 47 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3ijr s VAL 47 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3ijr s VAL 47 CO -0.02 0.58 -0.13 -0.22 0.00 0.00 0.00 175.10 175.31 3ijr s LEU 48 N -0.53 2.51 -0.13 3.92 2.96 -0.57 0.89 118.68 127.73 3ijr s LEU 48 Ca 0.08 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3ijr s LEU 48 Cb -0.12 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 45.00 3ijr s LEU 48 CO 0.02 0.02 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.47 3ijr s ILE 49 N 1.20 1.17 -0.14 6.68 2.07 0.02 -0.36 121.20 131.84 3ijr s ILE 49 Ca 0.02 -0.40 -0.24 0.00 -1.41 0.00 0.00 60.65 58.61 3ijr s ILE 49 Cb -0.14 -1.17 -0.02 0.00 0.13 0.00 0.00 42.46 41.25 3ijr s ILE 49 CO -0.06 0.37 0.78 0.42 -1.91 0.00 0.00 174.94 174.54 3ijr s THR 50 N 1.65 4.94 0.00 4.00 -4.23 -0.55 -0.90 115.64 120.55 3ijr s THR 50 Ca 0.05 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 3ijr s THR 50 Cb -0.13 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.62 3ijr s THR 50 CO -0.09 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3ijr n GLY 51 N 3.40 0.42 0.08 3.99 0.00 0.10 -2.23 105.19 110.95 3ijr n GLY 51 Ca 0.02 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.31 -0.81 0.13 -0.02 0.00 -1.16 -3.92 105.19 97.10 3ijr n GLY 52 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.32 0.00 -5.22 1.61 2.03 -1.83 -3.08 116.42 110.26 3ijr h ASP 53 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 3ijr h ASP 53 Cb 0.07 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.53 3ijr h ASP 53 CO 0.00 0.58 0.07 -0.94 -1.03 0.00 0.00 179.24 177.92 3ijr s SER 54 N -6.46 0.34 0.54 4.15 1.04 -1.25 -3.98 113.70 108.08 3ijr s SER 54 Ca 0.03 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3ijr s SER 54 Cb 0.08 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.96 3ijr s SER 54 CO 0.76 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3ijr n GLY 55 N -0.53 1.92 0.25 7.32 0.00 -1.26 -1.74 105.19 111.15 3ijr n GLY 55 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.62 3ijr n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ijr h ILE 56 N 0.00 0.63 -0.79 -0.61 2.04 -1.89 -1.68 117.51 115.20 3ijr h ILE 56 Ca 0.00 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3ijr h ILE 56 Cb 0.00 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 3ijr h ILE 56 CO 0.00 0.06 0.52 1.23 0.00 0.00 0.00 178.15 179.95 3ijr h GLY 57 N 0.31 1.10 1.00 5.37 0.00 -1.58 -0.95 103.07 108.32 3ijr h GLY 57 Ca 0.35 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3ijr h GLY 57 CO -0.42 0.31 0.11 -0.09 0.00 0.00 0.00 176.54 176.45 3ijr h ARG 58 N 0.94 0.89 -0.71 4.80 2.43 -0.45 0.98 114.38 123.26 3ijr h ARG 58 Ca 0.32 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3ijr h ARG 58 Cb 0.09 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3ijr h ARG 58 CO -0.10 0.85 0.20 0.00 -1.51 0.00 0.00 179.97 179.42 3ijr h ALA 59 N 1.00 1.02 -0.04 2.80 0.00 -1.05 -0.25 119.26 122.74 3ijr h ALA 59 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ijr h ALA 59 Cb 0.38 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ijr h ALA 59 CO 0.01 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 180.15 3ijr h VAL 60 N 1.06 1.37 -0.53 0.00 2.07 -0.98 0.36 116.25 119.61 3ijr h VAL 60 Ca 0.23 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.69 3ijr h VAL 60 Cb 0.32 2.06 -0.10 0.00 -1.52 0.00 0.00 31.29 32.06 3ijr h VAL 60 CO -0.00 0.31 -0.10 0.28 0.02 0.00 0.00 177.57 178.08 3ijr h SER 61 N -0.35 -0.42 -0.22 0.57 0.02 -0.63 0.21 113.55 112.73 3ijr h SER 61 Ca 0.01 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3ijr h SER 61 Cb 0.52 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3ijr h SER 61 CO 0.01 -0.15 0.02 0.40 -1.14 0.00 0.00 176.83 175.96 3ijr h ILE 62 N 0.03 1.24 -0.67 3.27 2.04 -0.92 -1.48 117.51 121.01 3ijr h ILE 62 Ca 0.26 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3ijr h ILE 62 Cb 0.40 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3ijr h ILE 62 CO -0.52 0.25 0.33 0.00 0.00 0.00 0.00 178.15 178.22 3ijr h ALA 63 N 0.82 0.86 -0.77 1.87 0.00 -0.50 -0.82 119.26 120.71 3ijr h ALA 63 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ijr h ALA 63 Cb 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3ijr h ALA 63 CO 0.01 0.42 0.49 0.74 0.00 0.00 0.00 179.25 180.90 3ijr h PHE 64 N 0.93 1.00 -0.39 0.00 -1.00 -0.49 -0.92 116.94 116.06 3ijr h PHE 64 Ca 0.23 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.91 3ijr h PHE 64 Cb 0.10 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 3ijr h PHE 64 CO 0.00 0.65 -0.20 0.00 -1.61 0.00 0.00 178.31 177.15 3ijr h ALA 65 N 1.48 0.55 0.00 2.45 0.00 -0.84 -0.05 119.26 122.85 3ijr h ALA 65 Ca 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ijr h ALA 65 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ijr h ALA 65 CO -0.06 0.51 -0.08 0.87 0.00 0.00 0.00 179.25 180.50 3ijr h LYS 66 N 0.64 0.00 -0.51 0.00 1.57 -0.35 0.06 116.57 117.98 3ijr h LYS 66 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3ijr h LYS 66 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3ijr h LYS 66 CO 0.06 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.41 3ijr n GLU 67 N -3.68 2.21 -0.75 3.15 -0.58 -0.43 -4.45 120.64 116.12 3ijr n GLU 67 Ca -0.02 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.32 3ijr n GLU 67 Cb 0.19 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 0.83 0.58 3.87 0.62 0.00 0.01 -1.01 105.19 110.08 3ijr n GLY 68 Ca 0.13 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3ijr n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijr s ALA 69 N -2.00 3.77 0.01 4.61 0.00 -0.07 -1.12 121.76 126.95 3ijr s ALA 69 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 3ijr s ALA 69 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 3ijr s ALA 69 CO 0.00 0.58 0.69 -0.80 0.00 0.00 0.00 175.76 176.23 3ijr s ASN 70 N -1.60 7.08 -0.13 0.00 0.01 -0.39 -4.10 114.94 115.80 3ijr s ASN 70 Ca 0.29 1.29 0.02 0.00 -0.71 0.00 0.00 52.86 53.74 3ijr s ASN 70 Cb -0.14 -2.42 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 3ijr s ASN 70 CO 0.16 0.03 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.96 3ijr s ILE 71 N 0.05 2.45 -0.25 0.60 -1.09 0.10 -0.49 121.20 122.57 3ijr s ILE 71 Ca 0.35 -0.86 -0.08 0.00 -2.23 0.00 0.00 60.65 57.84 3ijr s ILE 71 Cb -0.19 -2.00 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 3ijr s ILE 71 CO 0.20 0.54 0.08 0.00 -1.23 0.00 0.00 174.94 174.52 3ijr s ALA 72 N 0.60 3.20 -0.28 9.38 0.00 0.26 -0.50 121.76 134.42 3ijr s ALA 72 Ca -0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 3ijr s ALA 72 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 20.90 3ijr s ALA 72 CO 0.03 -0.45 -0.03 0.42 0.00 0.00 0.00 175.76 175.73 3ijr s ILE 73 N 1.55 2.92 0.03 0.00 1.01 0.66 -0.80 121.20 126.57 3ijr s ILE 73 Ca 0.06 -1.27 -0.06 0.00 0.00 0.00 0.00 60.65 59.38 3ijr s ILE 73 Cb -0.15 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 3ijr s ILE 73 CO 0.04 -0.00 0.28 0.00 0.00 0.00 0.00 174.94 175.26 3ijr s ALA 74 N 1.27 3.85 0.18 9.38 0.00 -0.08 -0.84 121.76 135.51 3ijr s ALA 74 Ca -0.04 -0.58 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 3ijr s ALA 74 Cb -0.19 -2.06 0.06 0.00 0.00 0.00 0.00 23.12 20.93 3ijr s ALA 74 CO -0.02 0.66 0.93 1.52 0.00 0.00 0.00 175.76 178.85 3ijr s TYR 75 N -1.36 -0.12 0.00 0.00 -0.85 -1.06 0.01 117.35 113.97 3ijr s TYR 75 Ca 0.30 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.62 3ijr s TYR 75 Cb -0.13 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3ijr s TYR 75 CO 0.18 -0.91 0.28 -0.11 -1.52 0.00 0.00 175.55 173.48 3ijr n LEU 76 N -0.49 0.02 -0.19 -3.49 7.94 -1.26 -1.01 117.00 118.53 3ijr n LEU 76 Ca -0.06 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 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 0.10 -0.90 -1.11 0.00 0.00 177.39 175.13 3ijr n ASP 77 N -1.98 0.00 -4.27 1.96 5.75 -1.26 -1.02 116.55 115.73 3ijr n ASP 77 Ca 0.00 -1.01 -0.43 0.00 -0.01 0.00 0.00 54.79 53.35 3ijr n ASP 77 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 3.14 -0.19 0.11 4.71 -1.26 -4.77 120.64 122.38 3ijr n GLU 78 Ca 0.00 -3.16 0.00 0.00 -0.01 0.00 0.00 57.16 54.00 3ijr n GLU 78 Cb 0.50 -3.35 0.25 0.00 -1.01 0.00 0.00 31.44 27.84 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 6.93 0.95 0.13 3.49 4.39 -1.98 -0.29 114.58 128.20 3ijr h GLU 79 Ca 0.47 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 3ijr h GLU 79 Cb 0.79 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3ijr h GLU 79 CO 1.58 0.64 -0.06 0.78 -1.16 0.00 0.00 179.01 180.79 3ijr h GLY 80 N 0.98 -0.18 0.90 -3.84 0.00 -2.00 -1.87 103.07 97.06 3ijr h GLY 80 Ca 0.26 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 3ijr h GLY 80 CO -0.05 -0.07 -0.02 -0.55 0.00 0.00 0.00 176.54 175.85 3ijr h ASP 81 N -0.19 0.59 -0.79 0.19 3.32 -1.77 -2.50 116.42 115.26 3ijr h ASP 81 Ca -0.02 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3ijr h ASP 81 Cb 0.15 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3ijr h ASP 81 CO 0.03 0.77 0.45 0.00 -1.72 0.00 0.00 179.24 178.77 3ijr h ALA 82 N 0.84 1.28 -0.37 3.45 0.00 -1.07 -0.94 119.26 122.45 3ijr h ALA 82 Ca 0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3ijr h ALA 82 Cb 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ijr h ALA 82 CO 0.02 0.59 -0.20 -0.97 0.00 0.00 0.00 179.25 178.69 3ijr h ASN 83 N 1.12 0.82 -0.45 0.00 -1.24 -1.30 0.42 115.58 114.95 3ijr h ASN 83 Ca 0.28 -0.42 0.03 0.00 0.71 0.00 0.00 56.30 56.91 3ijr h ASN 83 Cb 0.01 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 3ijr h ASN 83 CO -0.05 1.05 0.25 -0.08 -1.29 0.00 0.00 177.43 177.31 3ijr h GLU 84 N 0.58 0.48 -0.81 6.67 4.81 -1.12 0.22 114.58 125.41 3ijr h GLU 84 Ca 0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3ijr h GLU 84 Cb 0.76 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3ijr h GLU 84 CO 0.06 0.32 0.39 1.15 -0.73 0.00 0.00 179.01 180.19 3ijr h THR 85 N 0.50 1.25 -0.64 0.32 2.02 -1.08 -2.45 112.91 112.83 3ijr h THR 85 Ca 0.19 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.72 3ijr h THR 85 Cb 0.06 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 66.64 3ijr h THR 85 CO -0.11 0.30 0.34 0.50 0.37 0.00 0.00 175.52 176.93 3ijr h LYS 86 N 1.14 0.62 -0.28 6.66 3.64 0.03 -1.30 116.57 127.07 3ijr h LYS 86 Ca 0.28 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3ijr h LYS 86 Cb 0.12 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3ijr h LYS 86 CO -0.03 0.41 -0.08 1.96 -2.27 0.00 0.00 179.45 179.43 3ijr h GLN 87 N 0.64 0.45 -0.14 1.90 4.20 -0.51 -1.39 115.11 120.26 3ijr h GLN 87 Ca 0.29 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 3ijr h GLN 87 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3ijr h GLN 87 CO -0.19 0.54 -0.61 1.88 -0.67 0.00 0.00 178.83 179.79 3ijr h TYR 88 N 0.43 0.61 0.54 2.96 0.05 -1.18 -2.52 116.97 117.85 3ijr h TYR 88 Ca 0.09 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.61 3ijr h TYR 88 Cb 0.41 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 38.04 3ijr h TYR 88 CO 0.01 0.96 -0.26 0.28 -1.05 0.00 0.00 178.16 178.10 3ijr h VAL 89 N 0.35 0.22 -0.09 -2.88 2.07 -0.66 -3.20 116.25 112.05 3ijr h VAL 89 Ca -0.01 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3ijr h VAL 89 Cb 1.15 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3ijr h VAL 89 CO 0.11 0.04 0.09 -0.33 0.02 0.00 0.00 177.57 177.50 3ijr h GLU 90 N -1.09 0.00 -0.45 1.57 5.08 -1.37 0.62 114.58 118.94 3ijr h GLU 90 Ca -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ijr h GLU 90 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3ijr h GLU 90 CO 0.12 0.00 0.30 -0.22 -1.00 0.00 0.00 179.01 178.21 3ijr h LYS 91 N 0.00 0.51 0.00 2.33 3.64 -1.44 -0.67 116.57 120.94 3ijr h LYS 91 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ijr h LYS 91 Cb 0.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3ijr h LYS 91 CO -0.00 0.34 0.00 0.39 -2.27 0.00 0.00 179.45 177.91 3ijr n GLU 92 N -4.48 0.49 -0.39 1.90 -0.58 0.21 -4.86 120.64 112.94 3ijr n GLU 92 Ca 0.04 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3ijr n GLU 92 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.57 0.79 3.90 0.62 0.00 -0.26 -4.95 105.19 105.87 3ijr n GLY 93 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.10 3.14 0.19 1.61 -7.23 -1.26 -5.06 120.40 109.69 3ijr s VAL 94 Ca 0.00 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 3ijr s VAL 94 Cb 0.00 -3.10 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 3ijr s VAL 94 CO 0.00 -0.07 1.01 -0.54 -0.31 0.00 0.00 175.10 175.19 3ijr s LYS 95 N -4.13 4.70 -0.09 4.82 1.02 -1.26 -4.28 119.74 120.53 3ijr s LYS 95 Ca 0.47 1.58 -0.00 0.00 0.02 0.00 0.00 55.97 58.04 3ijr s LYS 95 Cb -0.06 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3ijr s LYS 95 CO 0.29 0.26 -0.05 0.00 -0.92 0.00 0.00 175.35 174.92 3ijr s VAL 97 N 1.59 3.18 -0.13 0.00 1.01 0.35 -5.00 120.40 121.39 3ijr s VAL 97 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3ijr s VAL 97 Cb -0.13 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3ijr s VAL 97 CO -0.05 0.52 0.27 -0.76 0.00 0.00 0.00 175.10 175.08 3ijr s LEU 98 N 0.31 4.30 -0.55 3.92 1.43 -1.26 -0.24 118.68 126.59 3ijr s LEU 98 Ca -0.09 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3ijr s LEU 98 Cb -0.16 -2.33 0.18 0.00 0.03 0.00 0.00 46.19 43.92 3ijr s LEU 98 CO 0.05 0.19 0.45 0.18 0.23 0.00 0.00 176.35 177.46 3ijr n LEU 99 N 3.05 1.35 -4.75 1.79 4.77 -0.02 -4.93 117.00 118.26 3ijr n LEU 99 Ca -0.14 -4.83 -0.30 0.00 -0.03 0.00 0.00 56.01 50.71 3ijr n LEU 99 Cb 0.52 -0.07 0.12 0.00 -2.33 0.00 0.00 43.42 41.66 3ijr n LEU 99 CO 0.38 1.85 0.68 -2.16 -1.33 0.00 0.00 177.39 176.81 3ijr s PRO 100 N -0.88 1.65 0.00 3.23 0.04 -1.26 -2.56 135.00 135.21 3ijr s PRO 100 Ca 0.30 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3ijr s PRO 100 Cb 0.03 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3ijr s PRO 100 CO -0.16 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.30 3ijr n GLY 101 N -1.34 4.26 3.62 0.56 0.00 -0.18 -4.85 105.19 107.27 3ijr n GLY 101 Ca 0.07 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 6.73 0.00 1.61 -1.08 -1.26 -4.01 116.67 118.66 3ijr s ASP 102 Ca 0.00 0.87 0.21 0.00 -0.52 0.00 0.00 52.55 53.11 3ijr s ASP 102 Cb 0.00 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.11 3ijr s ASP 102 CO 0.00 -1.09 1.77 0.18 0.52 0.00 0.00 175.17 176.56 3ijr n LEU 103 N 7.50 0.17 0.02 -1.34 4.77 -1.26 -3.11 117.00 123.75 3ijr n LEU 103 Ca 0.13 -0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 3ijr n LEU 103 Cb 0.48 -0.01 0.48 0.00 -2.33 0.00 0.00 43.42 42.04 3ijr n LEU 103 CO 0.65 0.03 0.87 -1.54 -1.33 0.00 0.00 177.39 176.07 3ijr n SER 104 N -0.70 0.12 -4.63 -1.43 3.41 -1.26 -4.55 113.62 104.58 3ijr n SER 104 Ca 0.16 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.90 3ijr n SER 104 Cb 0.10 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 63.42 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 -3.22 6.29 0.15 4.04 2.15 -1.18 -4.92 116.67 119.98 3ijr s ASP 105 Ca 0.11 0.34 -0.24 0.00 0.43 0.00 0.00 52.55 53.18 3ijr s ASP 105 Cb 0.14 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.57 3ijr s ASP 105 CO 0.43 -0.12 1.61 -0.08 -0.17 0.00 0.00 175.17 176.84 3ijr h GLU 106 N 7.85 -0.32 -0.68 4.34 4.81 -1.90 -1.97 114.58 126.71 3ijr h GLU 106 Ca -0.34 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.02 3ijr h GLU 106 Cb 1.16 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 3ijr h GLU 106 CO 0.67 -0.21 0.29 0.37 -0.73 0.00 0.00 179.01 179.39 3ijr h GLN 107 N -0.33 0.47 -0.84 1.92 5.75 -1.96 -0.29 115.11 119.83 3ijr h GLN 107 Ca 0.13 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3ijr h GLN 107 Cb 0.53 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 3ijr h GLN 107 CO -0.42 0.31 0.51 1.25 -2.65 0.00 0.00 178.83 177.83 3ijr h HIS 108 N 0.48 1.10 -0.87 3.99 2.76 -1.71 -0.31 115.15 120.59 3ijr h HIS 108 Ca 0.35 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.56 3ijr h HIS 108 Cb 0.43 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 3ijr h HIS 108 CO -0.15 0.73 0.57 0.00 -1.30 0.00 0.00 177.93 177.78 3ijr h LYS 110 N 1.08 0.51 -0.40 0.00 1.57 -0.59 -3.32 116.57 115.42 3ijr h LYS 110 Ca 0.35 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3ijr h LYS 110 Cb 0.04 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ijr h LYS 110 CO -0.11 0.94 0.12 -0.44 -0.57 0.00 0.00 179.45 179.40 3ijr h ASP 111 N 0.38 0.59 -0.08 0.86 3.32 -0.19 -2.71 116.42 118.59 3ijr h ASP 111 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3ijr h ASP 111 Cb 1.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3ijr h ASP 111 CO 0.11 0.64 0.02 0.16 -1.72 0.00 0.00 179.24 178.45 3ijr h ILE 112 N 0.50 1.07 -0.08 0.35 3.07 -1.45 0.31 117.51 121.28 3ijr h ILE 112 Ca 0.13 -0.26 -0.07 0.00 1.55 0.00 0.00 64.86 66.21 3ijr h ILE 112 Cb 0.26 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3ijr h ILE 112 CO -0.00 0.09 -0.21 0.58 -1.05 0.00 0.00 178.15 177.55 3ijr h VAL 113 N 0.18 1.41 -0.78 0.16 2.07 -1.63 -0.49 116.25 117.17 3ijr h VAL 113 Ca 0.05 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 3ijr h VAL 113 Cb 0.09 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3ijr h VAL 113 CO -0.00 0.44 0.33 -0.61 0.02 0.00 0.00 177.57 177.76 3ijr h GLN 114 N -0.19 1.15 -0.02 1.57 4.15 -1.13 -1.32 115.11 119.33 3ijr h GLN 114 Ca -0.00 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 3ijr h GLN 114 Cb 0.82 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3ijr h GLN 114 CO 0.05 0.92 -0.49 1.49 -1.93 0.00 0.00 178.83 178.86 3ijr h GLU 115 N 1.13 0.05 -0.01 1.69 4.57 -0.39 -0.21 114.58 121.41 3ijr h GLU 115 Ca 0.26 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3ijr h GLU 115 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3ijr h GLU 115 CO -0.03 0.53 -0.02 1.15 -1.18 0.00 0.00 179.01 179.47 3ijr h THR 116 N 0.04 1.48 -0.40 0.32 2.02 -0.48 -1.59 112.91 114.30 3ijr h THR 116 Ca -0.00 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 3ijr h THR 116 Cb 0.89 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 3ijr h THR 116 CO 0.07 0.38 0.21 0.58 0.37 0.00 0.00 175.52 177.13 3ijr h VAL 117 N -0.58 1.13 0.89 3.16 2.07 -1.20 0.95 116.25 122.68 3ijr h VAL 117 Ca -0.00 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3ijr h VAL 117 Cb 0.63 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3ijr h VAL 117 CO 0.00 0.15 -0.45 0.03 0.02 0.00 0.00 177.57 177.32 3ijr h ARG 118 N 0.56 -1.18 0.18 1.57 2.47 -0.95 -0.28 114.38 116.75 3ijr h ARG 118 Ca 0.14 0.08 -0.26 0.00 -1.26 0.00 0.00 59.98 58.68 3ijr h ARG 118 Cb 0.03 0.27 0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3ijr h ARG 118 CO -0.02 -0.79 -1.19 1.96 0.56 0.00 0.00 179.97 180.49 3ijr h GLN 119 N -1.23 0.39 0.00 0.04 4.20 -1.10 -3.35 115.11 114.06 3ijr h GLN 119 Ca -0.12 -0.67 -0.15 0.00 0.06 0.00 0.00 58.65 57.77 3ijr h GLN 119 Cb 0.95 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 3ijr h GLN 119 CO 0.19 1.32 -0.80 -0.07 -0.67 0.00 0.00 178.83 178.80 3ijr h LEU 120 N -0.14 0.00 0.00 1.46 3.38 -0.97 -3.48 115.31 115.56 3ijr h LEU 120 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ijr h LEU 120 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3ijr h LEU 120 CO 0.19 0.69 0.00 0.61 0.09 0.00 0.00 178.44 180.02 3ijr n GLY 121 N 1.29 2.13 3.10 0.83 0.00 -0.12 -5.00 105.19 107.43 3ijr n GLY 121 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.68 -3.80 1.61 3.41 -1.22 -4.84 113.62 107.10 3ijr n SER 122 Ca 0.00 -2.06 -0.18 0.00 -0.26 0.00 0.00 58.87 56.37 3ijr n SER 122 Cb 0.00 2.78 -0.17 0.00 -0.26 0.00 0.00 64.21 66.56 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 0.98 -0.05 1.04 2.96 -1.26 -4.40 118.68 117.94 3ijr s LEU 123 Ca 0.15 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3ijr s LEU 123 Cb -0.03 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 3ijr s LEU 123 CO 0.07 -0.13 -0.02 0.59 -1.32 0.00 0.00 176.35 175.55 3ijr n ASN 124 N 4.40 3.71 -3.87 3.68 4.13 -0.43 -4.51 115.26 122.37 3ijr n ASN 124 Ca -0.21 -0.02 -0.20 0.00 1.68 0.00 0.00 54.58 55.83 3ijr n ASN 124 Cb 0.50 0.24 -0.16 0.00 -1.54 0.00 0.00 39.78 38.81 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 -2.11 0.48 -0.16 2.41 1.01 -1.00 -1.18 121.20 120.65 3ijr s ILE 125 Ca -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 3ijr s ILE 125 Cb 0.02 -0.53 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 3ijr s ILE 125 CO 0.16 0.22 -0.14 -0.22 0.00 0.00 0.00 174.94 174.95 3ijr s LEU 126 N 1.05 2.52 -0.32 2.97 2.96 -0.35 -1.51 118.68 126.00 3ijr s LEU 126 Ca -0.09 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3ijr s LEU 126 Cb -0.14 -1.58 0.06 0.00 0.50 0.00 0.00 46.19 45.03 3ijr s LEU 126 CO -0.01 0.08 0.04 -0.69 -1.32 0.00 0.00 176.35 174.45 3ijr s VAL 127 N 0.84 3.13 -0.34 1.68 1.01 0.51 -0.71 120.40 126.52 3ijr s VAL 127 Ca -0.05 -1.44 -0.24 0.00 0.00 0.00 0.00 61.98 60.25 3ijr s VAL 127 Cb -0.15 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3ijr s VAL 127 CO -0.00 -0.20 0.81 0.20 0.00 0.00 0.00 175.10 175.91 3ijr s ASN 128 N 1.34 6.63 0.00 3.32 0.01 0.01 -1.48 114.94 124.77 3ijr s ASN 128 Ca -0.03 0.54 0.00 0.00 -0.71 0.00 0.00 52.86 52.67 3ijr s ASN 128 Cb -0.20 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3ijr s ASN 128 CO -0.01 -0.70 0.00 -3.20 -1.51 0.00 0.00 177.10 171.68 3ijr n ASN 129 N 6.38 0.00 -4.75 -1.22 5.15 -1.13 -0.87 115.26 118.82 3ijr n ASN 129 Ca 0.04 -0.19 -0.38 0.00 -0.60 0.00 0.00 54.58 53.45 3ijr n ASN 129 Cb 0.48 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.76 3ijr n ASN 129 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ijr s VAL 130 N 0.00 2.36 0.01 3.44 0.11 -0.95 -4.80 120.40 120.57 3ijr s VAL 130 Ca 0.00 0.26 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 3ijr s VAL 130 Cb 0.00 -3.12 0.10 0.00 -1.53 0.00 0.00 36.38 31.82 3ijr s VAL 130 CO 0.00 -0.02 0.85 0.00 -3.33 0.00 0.00 175.10 172.60 3ijr s ALA 131 N -1.40 -1.80 0.02 1.54 0.00 -1.26 -4.65 121.76 114.21 3ijr s ALA 131 Ca 0.72 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3ijr s ALA 131 Cb -0.36 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3ijr s ALA 131 CO 0.42 -0.67 -0.04 -0.65 0.00 0.00 0.00 175.76 174.82 3ijr s GLN 132 N -3.07 0.35 -0.09 0.00 -0.21 -1.26 -5.00 119.66 110.38 3ijr s GLN 132 Ca 0.04 -0.65 -0.06 0.00 0.02 0.00 0.00 55.36 54.71 3ijr s GLN 132 Cb -0.01 0.06 0.03 0.00 1.00 0.00 0.00 33.01 34.09 3ijr s GLN 132 CO -0.09 -0.04 0.21 1.14 -2.12 0.00 0.00 175.29 174.40 3ijr s GLN 133 N -1.55 0.20 -0.40 2.91 -2.07 -1.26 -4.90 119.66 112.59 3ijr s GLN 133 Ca -0.14 0.40 0.02 0.00 -1.82 0.00 0.00 55.36 53.82 3ijr s GLN 133 Cb -0.09 -0.03 0.12 0.00 -1.09 0.00 0.00 33.01 31.91 3ijr s GLN 133 CO -0.01 -0.11 0.17 0.71 -1.32 0.00 0.00 175.29 174.73 3ijr s TYR 134 N 0.76 2.50 0.42 9.60 2.02 -1.26 -4.76 117.35 126.63 3ijr s TYR 134 Ca -0.05 -2.51 -0.25 0.00 -0.37 0.00 0.00 57.07 53.88 3ijr s TYR 134 Cb -0.07 -2.23 -0.08 0.00 -0.40 0.00 0.00 41.96 39.18 3ijr s TYR 134 CO -0.04 -0.83 1.27 -2.14 -1.57 0.00 0.00 175.55 172.23 3ijr s PRO 135 N 0.67 3.91 0.01 -1.71 0.02 -1.26 -4.92 135.00 131.72 3ijr s PRO 135 Ca 0.14 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.20 3ijr s PRO 135 Cb -0.22 -2.68 -0.01 0.00 0.02 0.00 0.00 34.50 31.61 3ijr s PRO 135 CO -0.08 -0.51 0.04 -0.65 -0.33 0.00 0.00 177.00 175.47 3ijr s GLN 136 N -2.33 0.33 0.40 5.54 -1.52 -0.12 -5.04 119.66 116.92 3ijr s GLN 136 Ca 0.58 -0.45 0.29 0.00 -1.95 0.00 0.00 55.36 53.83 3ijr s GLN 136 Cb -0.36 0.13 1.26 0.00 -0.22 0.00 0.00 33.01 33.82 3ijr s GLN 136 CO 0.46 -0.07 1.86 -0.56 -0.25 0.00 0.00 175.29 176.72 3ijr h GLN 137 N 4.72 0.00 -1.86 2.91 3.07 -1.90 -3.39 115.11 118.67 3ijr h GLN 137 Ca -0.31 0.00 0.21 0.00 0.09 0.00 0.00 58.65 58.65 3ijr h GLN 137 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.62 3ijr h GLN 137 CO 0.42 0.00 0.67 0.20 0.09 0.00 0.00 178.83 180.20 3ijr s GLY 138 N -3.81 -0.36 0.42 0.06 0.00 -1.26 -4.88 107.32 97.49 3ijr s GLY 138 Ca 0.02 0.98 0.17 0.00 0.00 0.00 0.00 44.72 45.89 3ijr s GLY 138 CO 0.42 0.30 1.87 -2.00 0.00 0.00 0.00 173.10 173.69 3ijr h LEU 139 N 2.00 0.41 -2.13 0.66 5.85 -1.89 -1.56 115.31 118.65 3ijr h LEU 139 Ca -0.20 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3ijr h LEU 139 Cb 1.21 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ijr h LEU 139 CO 0.27 0.18 -0.02 1.05 -0.34 0.00 0.00 178.44 179.57 3ijr h GLU 140 N 0.42 0.00 -0.52 1.25 9.09 -2.00 -1.56 114.58 121.26 3ijr h GLU 140 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3ijr h GLU 140 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3ijr h GLU 140 CO -0.16 0.02 0.00 0.66 0.05 0.00 0.00 179.01 179.58 3ijr n TYR 141 N -3.19 0.74 -3.47 2.06 4.02 -0.59 -4.76 117.16 111.97 3ijr n TYR 141 Ca -0.01 -0.35 -0.43 0.00 -0.01 0.00 0.00 57.90 57.10 3ijr n TYR 141 Cb 0.20 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.42 4.85 0.77 -0.72 1.01 -0.59 -4.96 121.20 120.15 3ijr s ILE 142 Ca 0.34 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3ijr s ILE 142 Cb 0.18 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.80 3ijr s ILE 142 CO 0.21 -0.53 1.08 0.42 0.00 0.00 0.00 174.94 176.12 3ijr s THR 143 N 1.56 3.39 0.35 2.92 -4.23 -1.26 -4.89 115.64 113.49 3ijr s THR 143 Ca 0.04 0.45 0.09 0.00 -1.18 0.00 0.00 61.69 61.09 3ijr s THR 143 Cb -0.23 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 70.56 3ijr s THR 143 CO 0.05 -0.59 1.83 0.00 -0.54 0.00 0.00 174.62 175.37 3ijr h ALA 144 N -1.00 1.36 0.31 3.99 0.00 -1.99 -1.76 119.26 120.16 3ijr h ALA 144 Ca -0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3ijr h ALA 144 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ijr h ALA 144 CO 0.57 0.44 -0.15 0.93 0.00 0.00 0.00 179.25 181.05 3ijr h GLU 145 N 0.18 -0.40 -0.55 0.00 3.07 -2.00 -1.91 114.58 112.98 3ijr h GLU 145 Ca 0.03 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.97 3ijr h GLU 145 Cb 0.56 0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.51 3ijr h GLU 145 CO 0.04 -0.17 0.28 0.37 -1.40 0.00 0.00 179.01 178.13 3ijr h GLN 146 N -0.57 0.52 -0.10 2.33 4.15 -1.89 -1.76 115.11 117.79 3ijr h GLN 146 Ca -0.04 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.37 3ijr h GLN 146 Cb 0.42 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3ijr h GLN 146 CO 0.07 0.34 -0.06 1.25 -1.93 0.00 0.00 178.83 178.50 3ijr h LEU 147 N 0.54 -0.19 -0.49 -2.39 5.85 -1.22 -0.50 115.31 116.90 3ijr h LEU 147 Ca 0.24 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 3ijr h LEU 147 Cb 0.15 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ijr h LEU 147 CO -0.17 -0.08 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.35 3ijr h GLU 148 N -0.06 0.98 -0.47 1.25 5.08 -1.23 -1.79 114.58 118.35 3ijr h GLU 148 Ca 0.06 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3ijr h GLU 148 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ijr h GLU 148 CO -0.14 1.08 0.22 -0.22 -1.00 0.00 0.00 179.01 178.95 3ijr h LYS 149 N 0.84 0.68 -0.50 2.33 3.64 -1.15 0.06 116.57 122.47 3ijr h LYS 149 Ca 0.12 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3ijr h LYS 149 Cb 0.75 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3ijr h LYS 149 CO 0.06 0.58 0.30 1.15 -2.27 0.00 0.00 179.45 179.27 3ijr h THR 150 N 0.61 1.06 -0.38 1.00 2.02 -0.83 -2.07 112.91 114.32 3ijr h THR 150 Ca 0.16 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 3ijr h THR 150 Cb 0.13 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3ijr h THR 150 CO -0.02 0.11 -0.30 -0.26 0.37 0.00 0.00 175.52 175.42 3ijr h PHE 151 N 0.61 1.04 -0.82 3.16 -1.00 -1.16 -1.04 116.94 117.73 3ijr h PHE 151 Ca 0.20 -0.29 0.04 0.00 2.81 0.00 0.00 57.97 60.72 3ijr h PHE 151 Cb 0.00 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.28 3ijr h PHE 151 CO -0.06 1.09 0.52 -0.09 -1.61 0.00 0.00 178.31 178.16 3ijr h ARG 152 N 0.69 0.98 0.13 1.51 2.43 -0.62 -0.01 114.38 119.48 3ijr h ARG 152 Ca 0.07 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 3ijr h ARG 152 Cb 0.88 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3ijr h ARG 152 CO 0.08 0.65 -1.41 0.97 -1.51 0.00 0.00 179.97 178.75 3ijr h ILE 153 N 1.01 1.06 -0.09 1.20 6.09 -1.39 -2.52 117.51 122.87 3ijr h ILE 153 Ca 0.33 -2.43 -0.15 0.00 -1.37 0.00 0.00 64.86 61.24 3ijr h ILE 153 Cb 0.03 2.77 -0.01 0.00 0.47 0.00 0.00 36.82 40.08 3ijr h ILE 153 CO -0.12 0.73 -0.59 0.78 -3.07 0.00 0.00 178.15 175.87 3ijr h ASN 154 N -0.24 0.32 0.00 2.19 4.21 -1.16 -3.35 115.58 117.55 3ijr h ASN 154 Ca -0.29 -0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.03 3ijr h ASN 154 Cb 1.81 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.91 3ijr h ASN 154 CO 0.09 0.84 -0.64 0.00 -1.29 0.00 0.00 177.43 176.43 3ijr n ILE 155 N -3.89 0.00 -0.00 2.81 0.13 -0.46 -4.62 119.36 113.33 3ijr n ILE 155 Ca -0.03 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.61 3ijr n ILE 155 Cb 0.61 -0.43 0.25 0.00 -0.84 0.00 0.00 39.64 39.23 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 0.56 -0.36 9.51 0.04 -1.01 -2.11 116.94 123.57 3ijr h PHE 156 Ca 0.00 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 3ijr h PHE 156 Cb 0.64 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 3ijr h PHE 156 CO 0.00 0.61 -0.05 0.66 -0.60 0.00 0.00 178.31 178.93 3ijr h SER 157 N 0.49 0.56 -0.60 2.17 4.64 -1.59 -0.48 113.55 118.74 3ijr h SER 157 Ca 0.09 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3ijr h SER 157 Cb 0.47 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3ijr h SER 157 CO 0.03 0.67 0.33 1.88 -0.87 0.00 0.00 176.83 178.86 3ijr h TYR 158 N 0.55 0.84 0.15 4.77 -1.99 -1.65 -0.00 116.97 119.65 3ijr h TYR 158 Ca 0.11 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 3ijr h TYR 158 Cb 0.43 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3ijr h TYR 158 CO 0.02 0.61 -0.07 0.74 -0.00 0.00 0.00 178.16 179.45 3ijr h PHE 159 N 0.82 -0.19 -0.27 4.88 0.04 -0.90 -2.11 116.94 119.20 3ijr h PHE 159 Ca 0.21 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 3ijr h PHE 159 Cb 0.06 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3ijr h PHE 159 CO -0.01 -0.02 -0.12 0.45 -0.60 0.00 0.00 178.31 178.01 3ijr h HIS 160 N -0.32 0.63 -0.20 -0.55 3.86 -0.90 0.53 115.15 118.20 3ijr h HIS 160 Ca -0.02 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 3ijr h HIS 160 Cb 0.26 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3ijr h HIS 160 CO -0.03 0.80 0.02 0.28 0.86 0.00 0.00 177.93 179.86 3ijr h VAL 161 N 0.29 1.23 -0.60 2.45 2.07 -1.11 -1.34 116.25 119.24 3ijr h VAL 161 Ca 0.06 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3ijr h VAL 161 Cb 0.62 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3ijr h VAL 161 CO 0.04 0.24 0.28 0.74 0.02 0.00 0.00 177.57 178.89 3ijr h THR 162 N 0.11 1.22 -0.87 2.57 2.02 -1.33 -0.05 112.91 116.58 3ijr h THR 162 Ca 0.06 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.65 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 0.25 0.56 0.50 0.37 0.00 0.00 175.52 177.20 3ijr h LYS 163 N 0.83 1.06 -0.18 6.66 3.64 -0.82 -0.94 116.57 126.81 3ijr h LYS 163 Ca 0.21 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3ijr h LYS 163 Cb 0.13 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3ijr h LYS 163 CO -0.02 0.70 -0.30 0.00 -2.27 0.00 0.00 179.45 177.56 3ijr h ALA 164 N 1.36 1.15 -0.08 5.00 0.00 -0.71 -2.93 119.26 123.05 3ijr h ALA 164 Ca 0.34 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ijr h ALA 164 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ijr h ALA 164 CO -0.11 0.54 -0.42 0.00 0.00 0.00 0.00 179.25 179.26 3ijr h ALA 165 N 1.37 1.15 -0.48 0.00 0.00 0.27 -3.25 119.26 118.33 3ijr h ALA 165 Ca 0.04 -0.41 0.14 0.00 0.00 0.00 0.00 54.91 54.68 3ijr h ALA 165 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3ijr h ALA 165 CO 0.05 0.58 0.43 -0.07 0.00 0.00 0.00 179.25 180.24 3ijr h LEU 166 N 0.15 0.00 -1.89 0.00 3.38 -1.09 0.33 115.31 116.19 3ijr h LEU 166 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ijr h LEU 166 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ijr h LEU 166 CO 0.06 0.00 -0.09 0.28 0.09 0.00 0.00 178.44 178.78 3ijr h SER 167 N 0.00 0.00 -0.00 -0.43 0.02 -1.75 -3.22 113.55 108.17 3ijr h SER 167 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3ijr h SER 167 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3ijr h SER 167 CO -0.00 0.09 -0.13 1.41 -1.14 0.00 0.00 176.83 177.06 3ijr n HIS 168 N -3.42 0.00 -3.52 3.45 8.25 0.11 -5.00 115.22 115.09 3ijr n HIS 168 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 3ijr n HIS 168 Cb 0.25 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.37 4.26 0.00 2.41 1.43 -0.97 -4.52 118.68 119.91 3ijr s LEU 169 Ca 0.05 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 3ijr s LEU 169 Cb 0.05 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 3ijr s LEU 169 CO 0.15 0.04 0.23 2.29 0.23 0.00 0.00 176.35 179.29 3ijr n LYS 170 N 0.29 0.33 -1.59 1.70 2.85 -1.26 -4.97 118.16 115.51 3ijr n LYS 170 Ca -0.03 -1.96 -0.52 0.00 -1.05 0.00 0.00 58.31 54.75 3ijr n LYS 170 Cb 0.52 1.71 -0.06 0.00 -0.65 0.00 0.00 35.03 36.55 3ijr n LYS 170 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 3ijr n GLN 171 N -0.38 1.13 0.00 -1.58 7.27 -1.18 -0.70 117.38 121.93 3ijr n GLN 171 Ca 0.03 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.51 3ijr n GLN 171 Cb 0.38 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.00 3ijr n GLN 171 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ijr n GLY 172 N 2.42 1.49 3.90 1.69 0.00 0.75 -4.99 105.19 110.46 3ijr n GLY 172 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.38 4.69 -0.04 1.61 1.01 0.12 -4.96 116.67 116.73 3ijr s ASP 173 Ca 0.00 0.76 -0.10 0.00 0.71 0.00 0.00 52.55 53.92 3ijr s ASP 173 Cb 0.00 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.62 3ijr s ASP 173 CO 0.00 -1.77 0.24 -0.69 0.21 0.00 0.00 175.17 173.16 3ijr s VAL 174 N -3.48 0.05 -0.06 -1.27 1.01 -0.33 -2.74 120.40 113.58 3ijr s VAL 174 Ca 0.61 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.26 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 0.48 -0.21 -0.18 -0.63 0.00 0.00 0.00 175.10 174.56 3ijr s ILE 175 N -0.82 1.57 -0.07 2.22 1.01 -0.12 -1.21 121.20 123.77 3ijr s ILE 175 Ca -0.09 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3ijr s ILE 175 Cb -0.05 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.08 3ijr s ILE 175 CO 0.02 0.45 -0.14 -0.63 0.00 0.00 0.00 174.94 174.64 3ijr s ILE 176 N 0.19 1.29 -0.14 2.92 1.01 0.11 -1.87 121.20 124.71 3ijr s ILE 176 Ca -0.09 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3ijr s ILE 176 Cb -0.14 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 3ijr s ILE 176 CO 0.04 0.39 -0.12 0.20 0.00 0.00 0.00 174.94 175.45 3ijr s ASN 177 N 0.61 4.06 -0.39 3.58 0.01 -0.23 -0.81 114.94 121.77 3ijr s ASN 177 Ca -0.15 -0.33 -0.28 0.00 -0.71 0.00 0.00 52.86 51.39 3ijr s ASN 177 Cb -0.16 -1.63 0.02 0.00 0.41 0.00 0.00 41.25 39.89 3ijr s ASN 177 CO 0.05 0.14 1.03 -0.89 -1.51 0.00 0.00 177.10 175.92 3ijr s THR 178 N 0.51 4.45 0.00 1.60 2.01 -0.05 -1.97 115.64 122.18 3ijr s THR 178 Ca -0.08 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.27 3ijr s THR 178 Cb -0.16 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 67.91 3ijr s THR 178 CO 0.04 -0.67 0.00 0.00 -0.69 0.00 0.00 174.62 173.30 3ijr n ALA 179 N 7.13 0.00 -3.55 7.40 0.00 0.29 -4.87 120.51 126.92 3ijr n ALA 179 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 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 -0.92 -0.25 0.53 0.00 0.15 -1.26 -4.40 113.70 107.54 3ijr s SER 180 Ca 0.00 0.01 0.19 0.00 0.70 0.00 0.00 55.95 56.86 3ijr s SER 180 Cb 0.00 0.26 1.37 0.00 -1.71 0.00 0.00 66.02 65.94 3ijr s SER 180 CO 0.00 -0.41 2.15 -0.29 1.20 0.00 0.00 173.24 175.89 3ijr h ILE 181 N 2.02 0.89 0.00 6.45 2.10 -1.67 -2.74 117.51 124.56 3ijr h ILE 181 Ca -0.15 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.69 3ijr h ILE 181 Cb 1.20 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.98 3ijr h ILE 181 CO 0.27 0.03 -0.03 -0.37 -1.08 0.00 0.00 178.15 176.96 3ijr h VAL 182 N 0.00 0.11 0.00 2.19 -1.51 -1.85 0.99 116.25 116.17 3ijr h VAL 182 Ca -0.00 -0.45 -0.05 0.00 -1.23 0.00 0.00 66.70 64.97 3ijr h VAL 182 Cb 0.05 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 3ijr h VAL 182 CO 0.00 0.03 -0.23 0.00 -1.23 0.00 0.00 177.57 176.14 3ijr h ALA 183 N 1.97 1.13 0.04 5.19 0.00 -1.71 0.34 119.26 126.21 3ijr h ALA 183 Ca -0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 54.91 54.32 3ijr h ALA 183 Cb 0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3ijr h ALA 183 CO 0.00 0.29 -2.30 0.66 0.00 0.00 0.00 179.25 177.90 3ijr n TYR 184 N -3.56 0.43 0.23 0.00 4.01 0.19 -4.64 117.16 113.84 3ijr n TYR 184 Ca -0.01 0.10 0.08 0.00 -0.16 0.00 0.00 57.90 57.90 3ijr n TYR 184 Cb 0.38 -1.06 -0.11 0.00 -0.31 0.00 0.00 39.34 38.24 3ijr n TYR 184 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3ijr n GLU 185 N -3.30 0.97 0.00 -0.72 0.28 -0.33 -5.08 120.64 112.46 3ijr n GLU 185 Ca -0.40 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 3ijr n GLU 185 Cb 1.02 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.57 3ijr n GLU 185 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ijr n GLY 186 N 1.53 -2.10 2.92 -1.84 0.00 0.11 -5.01 105.19 100.79 3ijr n GLY 186 Ca -0.01 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.63 0.45 0.58 1.61 3.84 -1.26 -4.76 114.94 111.76 3ijr s ASN 187 Ca 0.00 0.23 0.32 0.00 0.21 0.00 0.00 52.86 53.62 3ijr s ASN 187 Cb 0.00 0.95 1.78 0.00 -0.55 0.00 0.00 41.25 43.42 3ijr s ASN 187 CO 0.00 -0.29 2.20 1.05 -2.79 0.00 0.00 177.10 177.26 3ijr h GLU 188 N 8.22 0.00 -0.02 0.43 4.11 -1.97 -1.80 114.58 123.56 3ijr h GLU 188 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3ijr h GLU 188 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3ijr h GLU 188 CO 0.25 0.04 -0.37 0.25 0.07 0.00 0.00 179.01 179.25 3ijr n THR 189 N -3.60 0.00 -2.81 -1.06 -2.24 -1.26 -4.47 114.28 98.83 3ijr n THR 189 Ca -0.02 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 3ijr n THR 189 Cb 0.15 1.22 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.16 2.33 -0.11 3.22 4.77 -0.68 -0.95 117.00 125.74 3ijr n LEU 190 Ca 0.10 -4.64 -0.10 0.00 -0.03 0.00 0.00 56.01 51.35 3ijr n LEU 190 Cb 0.48 0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 3ijr n LEU 190 CO 0.26 2.01 0.90 0.40 -1.33 0.00 0.00 177.39 179.62 3ijr h ILE 191 N 2.36 1.19 -0.34 -0.08 2.04 -1.76 0.24 117.51 121.17 3ijr h ILE 191 Ca 0.07 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 3ijr h ILE 191 Cb 0.98 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3ijr h ILE 191 CO 0.61 0.20 -0.16 -2.24 0.00 0.00 0.00 178.15 176.57 3ijr h ASP 192 N 0.41 0.72 -0.44 1.72 2.03 -1.92 -1.87 116.42 117.06 3ijr h ASP 192 Ca 0.11 -0.40 0.02 0.00 -0.73 0.00 0.00 57.03 56.03 3ijr h ASP 192 Cb 0.19 -0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 3ijr h ASP 192 CO -0.01 0.96 0.27 0.22 -1.03 0.00 0.00 179.24 179.65 3ijr h TYR 193 N 0.47 0.50 -0.86 4.15 3.20 -1.90 -1.36 116.97 121.17 3ijr h TYR 193 Ca 0.08 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3ijr h TYR 193 Cb 0.69 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 3ijr h TYR 193 CO 0.06 0.29 0.55 0.66 -1.64 0.00 0.00 178.16 178.09 3ijr h SER 194 N 0.54 0.92 -0.82 -2.11 4.64 -0.42 -1.45 113.55 114.85 3ijr h SER 194 Ca 0.17 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 3ijr h SER 194 Cb -0.00 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 3ijr h SER 194 CO -0.07 0.64 0.45 0.00 -0.87 0.00 0.00 176.83 176.97 3ijr h ALA 195 N 1.35 1.22 -0.23 5.18 0.00 -0.61 -0.78 119.26 125.40 3ijr h ALA 195 Ca 0.34 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ijr h ALA 195 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3ijr h ALA 195 CO -0.11 0.62 -0.24 1.79 0.00 0.00 0.00 179.25 181.31 3ijr h THR 196 N 1.16 1.26 0.00 0.00 1.35 -0.25 -1.96 112.91 114.47 3ijr h THR 196 Ca 0.29 -1.21 -0.15 0.00 -0.55 0.00 0.00 66.41 64.79 3ijr h THR 196 Cb 0.04 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 3ijr h THR 196 CO -0.05 0.38 -0.72 0.11 -0.25 0.00 0.00 175.52 174.99 3ijr h LYS 197 N 0.38 0.00 -0.08 4.72 1.79 -0.73 -1.46 116.57 121.19 3ijr h LYS 197 Ca 0.06 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 3ijr h LYS 197 Cb 0.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 3ijr h LYS 197 CO 0.04 0.72 -0.49 0.78 -1.08 0.00 0.00 179.45 179.43 3ijr h GLY 198 N 2.23 0.24 1.33 3.86 0.00 -1.01 -2.04 103.07 107.68 3ijr h GLY 198 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3ijr h GLY 198 CO 0.09 0.23 -0.26 0.00 0.00 0.00 0.00 176.54 176.61 3ijr h ALA 199 N 1.32 0.85 -0.57 3.60 0.00 -0.90 -2.44 119.26 121.12 3ijr h ALA 199 Ca 0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3ijr h ALA 199 Cb 0.93 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ijr h ALA 199 CO 0.07 0.64 0.13 0.82 0.00 0.00 0.00 179.25 180.91 3ijr h ILE 200 N 0.66 1.25 0.27 0.00 2.04 -1.05 0.27 117.51 120.95 3ijr h ILE 200 Ca 0.09 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3ijr h ILE 200 Cb 0.77 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3ijr h ILE 200 CO 0.06 0.34 -0.22 0.58 0.00 0.00 0.00 178.15 178.90 3ijr h VAL 201 N 0.83 0.52 -0.83 1.67 2.07 -1.20 0.15 116.25 119.45 3ijr h VAL 201 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 3ijr h VAL 201 Cb 0.36 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ijr h VAL 201 CO 0.00 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.15 3ijr h ALA 202 N 0.16 1.06 -0.47 1.67 0.00 -1.37 -1.61 119.26 118.69 3ijr h ALA 202 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ijr h ALA 202 Cb 0.46 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3ijr h ALA 202 CO -0.02 0.46 0.18 0.35 0.00 0.00 0.00 179.25 180.22 3ijr h PHE 203 N 1.13 0.32 -0.50 0.00 3.57 -0.65 -0.11 116.94 120.70 3ijr h PHE 203 Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3ijr h PHE 203 Cb -0.13 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3ijr h PHE 203 CO -0.01 0.12 0.26 1.15 -2.23 0.00 0.00 178.31 177.60 3ijr h THR 204 N 0.36 1.18 0.06 4.41 2.02 -0.10 0.86 112.91 121.70 3ijr h THR 204 Ca 0.22 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3ijr h THR 204 Cb 0.20 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3ijr h THR 204 CO -0.21 0.20 -0.03 0.03 0.37 0.00 0.00 175.52 175.88 3ijr h ARG 205 N 0.67 -0.07 -0.13 6.66 3.08 -1.01 -1.40 114.38 122.18 3ijr h ARG 205 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3ijr h ARG 205 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3ijr h ARG 205 CO -0.03 0.16 0.08 0.77 -1.07 0.00 0.00 179.97 179.88 3ijr h SER 206 N -0.30 0.15 -0.35 7.04 0.02 -0.89 -2.89 113.55 116.34 3ijr h SER 206 Ca -0.01 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3ijr h SER 206 Cb 0.27 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3ijr h SER 206 CO 0.01 0.14 -0.00 0.25 -1.14 0.00 0.00 176.83 176.09 3ijr h LEU 207 N 0.15 0.68 -0.52 5.07 5.85 -0.83 -1.41 115.31 124.29 3ijr h LEU 207 Ca 0.05 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3ijr h LEU 207 Cb 0.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3ijr h LEU 207 CO -0.01 0.75 0.24 0.77 -0.34 0.00 0.00 178.44 179.85 3ijr h SER 208 N 0.67 0.31 -0.05 1.25 4.64 -1.05 0.55 113.55 119.87 3ijr h SER 208 Ca 0.13 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 3ijr h SER 208 Cb 0.42 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3ijr h SER 208 CO 0.02 0.21 -0.34 1.56 -0.87 0.00 0.00 176.83 177.41 3ijr h GLN 209 N 0.46 0.53 -0.81 4.77 1.08 -1.29 -1.57 115.11 118.28 3ijr h GLN 209 Ca 0.24 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3ijr h GLN 209 Cb 0.20 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 3ijr h GLN 209 CO -0.20 0.80 0.43 1.03 -0.95 0.00 0.00 178.83 179.95 3ijr h SER 210 N 0.45 1.03 -0.06 1.46 0.87 -0.15 -3.28 113.55 113.88 3ijr h SER 210 Ca 0.05 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3ijr h SER 210 Cb 0.81 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3ijr h SER 210 CO 0.07 0.84 0.00 0.18 -0.53 0.00 0.00 176.83 177.39 3ijr n LEU 211 N -4.39 2.71 -0.16 2.23 4.77 0.07 -4.62 117.00 117.61 3ijr n LEU 211 Ca 0.08 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3ijr n LEU 211 Cb 0.10 -0.02 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 3ijr n LEU 211 CO 0.39 0.48 1.16 1.62 -1.33 0.00 0.00 177.39 179.71 3ijr h VAL 212 N 3.88 1.19 0.00 4.08 3.04 -1.35 -0.36 116.25 126.73 3ijr h VAL 212 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3ijr h VAL 212 Cb 0.83 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3ijr h VAL 212 CO 0.00 0.20 0.00 0.00 -1.01 0.00 0.00 177.57 176.76 3ijr n GLN 213 N -4.39 0.10 0.00 4.17 6.02 -1.26 -1.84 117.38 120.17 3ijr n GLN 213 Ca 0.06 0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.27 3ijr n GLN 213 Cb 0.08 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.44 1.51 -1.68 -1.09 5.02 -0.17 -4.94 118.16 115.37 3ijr n LYS 214 Ca 0.07 -1.05 -0.05 0.00 -2.02 0.00 0.00 58.31 55.26 3ijr n LYS 214 Cb 0.25 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.42 3.33 0.72 0.00 -0.77 -3.12 105.19 107.07 3ijr n GLY 215 Ca 0.14 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.21 3.46 0.13 -0.61 1.01 -1.12 -0.18 121.20 121.68 3ijr s ILE 216 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 3ijr s ILE 216 Cb 0.00 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.84 3ijr s ILE 216 CO 0.00 0.43 0.52 -0.13 0.00 0.00 0.00 174.94 175.75 3ijr s ARG 217 N 1.37 3.93 -0.10 2.79 0.52 -1.11 -4.02 118.95 122.34 3ijr s ARG 217 Ca 0.04 0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 55.66 3ijr s ARG 217 Cb -0.14 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.42 3ijr s ARG 217 CO -0.02 0.50 0.00 0.08 0.02 0.00 0.00 175.30 175.88 3ijr s VAL 218 N -1.45 0.44 0.23 3.52 1.01 -1.26 -0.95 120.40 121.94 3ijr s VAL 218 Ca 0.37 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3ijr s VAL 218 Cb -0.15 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3ijr s VAL 218 CO 0.19 0.17 0.17 0.20 0.00 0.00 0.00 175.10 175.82 3ijr s ASN 219 N 1.93 0.49 0.20 3.32 0.01 -0.78 0.29 114.94 120.40 3ijr s ASN 219 Ca 0.04 -1.47 0.02 0.00 -0.71 0.00 0.00 52.86 50.74 3ijr s ASN 219 Cb -0.13 0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.90 3ijr s ASN 219 CO -0.06 -0.89 0.02 -0.83 -1.51 0.00 0.00 177.10 173.83 3ijr s GLY 220 N -3.21 1.38 -0.05 0.66 0.00 0.13 -1.07 107.32 105.17 3ijr s GLY 220 Ca 0.39 -1.68 0.05 0.00 0.00 0.00 0.00 44.72 43.48 3ijr s GLY 220 CO 0.15 -1.56 -0.19 0.14 0.00 0.00 0.00 173.10 171.65 3ijr s VAL 221 N -3.65 1.55 -0.40 1.40 1.01 -0.83 -1.58 120.40 117.89 3ijr s VAL 221 Ca 0.28 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3ijr s VAL 221 Cb 0.06 -1.32 0.11 0.00 0.00 0.00 0.00 36.38 35.23 3ijr s VAL 221 CO 0.07 0.44 0.14 0.00 0.00 0.00 0.00 175.10 175.75 3ijr s ALA 222 N 0.02 3.07 0.41 5.51 0.00 0.28 -0.54 121.76 130.50 3ijr s ALA 222 Ca -0.04 -2.72 -0.21 0.00 0.00 0.00 0.00 51.96 48.99 3ijr s ALA 222 Cb -0.12 -2.13 -0.11 0.00 0.00 0.00 0.00 23.12 20.76 3ijr s ALA 222 CO 0.03 -1.80 0.92 -2.14 0.00 0.00 0.00 175.76 172.77 3ijr s PRO 223 N 0.66 4.23 0.00 0.00 0.02 -1.26 -2.28 135.00 136.37 3ijr s PRO 223 Ca 0.12 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.22 3ijr s PRO 223 Cb -0.21 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3ijr s PRO 223 CO -0.06 0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3ijr n GLY 224 N -0.52 1.38 3.55 0.52 0.00 -0.62 -2.26 105.19 107.24 3ijr n GLY 224 Ca 0.06 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 2.15 2.52 -0.17 1.61 0.04 -1.26 -4.92 135.00 134.96 3ijr s PRO 225 Ca 0.00 0.88 -0.05 0.00 0.04 0.00 0.00 61.00 61.87 3ijr s PRO 225 Cb 0.00 -4.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 3ijr s PRO 225 CO 0.00 -2.84 0.01 0.42 0.04 0.00 0.00 177.00 174.63 3ijr s ILE 226 N 9.85 4.28 -0.61 0.56 -1.09 -1.26 0.10 121.20 133.03 3ijr s ILE 226 Ca 0.77 -0.21 -0.26 0.00 -2.23 0.00 0.00 60.65 58.71 3ijr s ILE 226 Cb -0.14 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 3ijr s ILE 226 CO 0.23 0.47 1.90 0.86 -1.23 0.00 0.00 174.94 177.16 3ijr s TRP 227 N 0.47 1.62 0.34 3.97 -0.11 -0.19 -4.86 118.94 120.19 3ijr s TRP 227 Ca -0.00 0.83 0.05 0.00 1.22 0.00 0.00 56.10 58.20 3ijr s TRP 227 Cb -0.14 -4.06 -0.03 0.00 -1.50 0.00 0.00 33.47 27.75 3ijr s TRP 227 CO 0.02 -2.31 0.20 0.95 -4.62 0.00 0.00 176.95 171.19 3ijr s THR 228 N 9.32 0.23 -0.84 5.86 -4.23 -1.26 -4.42 115.64 120.30 3ijr s THR 228 Ca 0.69 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.41 3ijr s THR 228 Cb -0.13 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.44 3ijr s THR 228 CO 0.20 0.00 1.64 -0.81 -0.54 0.00 0.00 174.62 175.11 3ijr n PRO 229 N -0.66 0.07 0.12 3.99 -0.04 -1.26 -2.92 135.00 134.30 3ijr n PRO 229 Ca 0.02 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.76 3ijr n PRO 229 Cb 0.64 -1.62 0.43 0.00 -0.04 0.00 0.00 33.50 32.90 3ijr n PRO 229 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ijr h LEU 230 N 0.00 0.23 0.20 1.53 5.85 -1.93 -3.11 115.31 118.09 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 0.37 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3ijr h LEU 230 CO 0.00 0.32 -0.10 0.40 -0.34 0.00 0.00 178.44 178.72 3ijr h ILE 231 N 0.24 0.76 0.00 4.05 1.08 -1.86 -2.82 117.51 118.97 3ijr h ILE 231 Ca 0.05 -1.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.48 3ijr h ILE 231 Cb 0.26 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 3ijr h ILE 231 CO 0.01 0.19 -0.25 1.55 -0.69 0.00 0.00 178.15 178.96 3ijr h PRO 232 N -0.86 0.00 -0.00 2.37 0.13 -1.75 -0.94 132.00 130.95 3ijr h PRO 232 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ijr h PRO 232 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3ijr h PRO 232 CO 0.05 0.25 -0.07 -1.13 -0.23 0.00 0.00 178.00 176.86 3ijr n SER 233 N -3.50 0.46 0.00 1.44 3.41 -1.17 -1.70 113.62 112.56 3ijr n SER 233 Ca -0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 3ijr n SER 233 Cb 0.41 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.86 1.03 -4.93 4.04 3.41 -1.06 -4.44 113.62 110.80 3ijr n SER 234 Ca 0.17 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.53 3ijr n SER 234 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.00 3.39 0.98 7.33 0.08 -0.38 -4.57 117.98 122.81 3ijr s PHE 235 Ca 0.00 0.44 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 3ijr s PHE 235 Cb 0.00 -2.23 0.20 0.00 -0.57 0.00 0.00 43.02 40.42 3ijr s PHE 235 CO 0.00 -0.24 1.30 0.16 -0.10 0.00 0.00 175.22 176.34 3ijr s ASP 236 N -4.15 2.99 0.07 1.36 1.47 -1.26 -4.70 116.67 112.45 3ijr s ASP 236 Ca 0.46 0.32 -0.22 0.00 1.18 0.00 0.00 52.55 54.29 3ijr s ASP 236 Cb -0.10 -0.39 -0.13 0.00 -0.34 0.00 0.00 42.92 41.96 3ijr s ASP 236 CO 0.40 -2.82 1.58 -0.33 0.68 0.00 0.00 175.17 174.68 3ijr h GLU 237 N -1.70 0.16 -0.27 2.11 5.08 -1.94 -2.58 114.58 115.45 3ijr h GLU 237 Ca -0.45 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3ijr h GLU 237 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3ijr h GLU 237 CO 0.39 0.31 0.16 -0.22 -1.00 0.00 0.00 179.01 178.65 3ijr h LYS 238 N -0.01 0.36 0.08 2.33 3.11 -1.95 -2.31 116.57 118.17 3ijr h LYS 238 Ca 0.03 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.63 3ijr h LYS 238 Cb 0.21 -0.08 0.02 0.00 -1.00 0.00 0.00 32.23 31.39 3ijr h LYS 238 CO -0.00 0.25 -0.90 -0.22 -2.81 0.00 0.00 179.45 175.77 3ijr h LYS 239 N 0.37 0.48 -0.57 1.90 1.63 -1.93 -3.25 116.57 115.19 3ijr h LYS 239 Ca 0.10 -0.61 0.04 0.00 -0.85 0.00 0.00 60.65 59.32 3ijr h LYS 239 Cb -0.02 0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 3ijr h LYS 239 CO -0.02 1.25 0.38 0.28 -3.45 0.00 0.00 179.45 177.88 3ijr h VAL 240 N -0.01 1.05 -0.27 2.00 2.07 -1.11 -2.61 116.25 117.37 3ijr h VAL 240 Ca -0.13 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3ijr h VAL 240 Cb 1.62 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3ijr h VAL 240 CO 0.17 0.12 0.14 0.77 0.02 0.00 0.00 177.57 178.79 3ijr h SER 241 N 0.63 0.32 -0.32 0.57 4.64 -1.46 -2.21 113.55 115.72 3ijr h SER 241 Ca 0.23 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 3ijr h SER 241 Cb 0.13 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3ijr h SER 241 CO -0.06 0.26 0.01 0.00 -0.87 0.00 0.00 176.83 176.17 3ijr n GLN 242 N -4.47 2.69 -1.76 4.77 6.02 -1.01 -4.44 117.38 119.18 3ijr n GLN 242 Ca 0.01 -2.95 -0.42 0.00 -0.01 0.00 0.00 57.00 53.63 3ijr n GLN 242 Cb 0.09 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.46 3ijr n GLN 242 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3ijr s PHE 243 N -2.95 2.70 -0.16 1.08 5.36 -0.83 -2.64 117.98 120.52 3ijr s PHE 243 Ca 0.44 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 3ijr s PHE 243 Cb 0.37 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 3ijr s PHE 243 CO 0.07 -4.32 0.00 0.41 -1.46 0.00 0.00 175.22 169.92 3ijr n GLY 244 N 4.02 0.52 0.61 13.12 0.00 -1.26 -4.10 105.19 118.10 3ijr n GLY 244 Ca 0.16 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 0.80 1.89 -0.47 1.61 3.41 -1.08 -0.27 113.62 119.51 3ijr n SER 245 Ca -0.02 -1.65 0.08 0.00 -0.26 0.00 0.00 58.87 57.02 3ijr n SER 245 Cb 0.08 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.47 1.88 -4.91 4.04 6.94 -1.26 -4.61 115.26 117.81 3ijr n ASN 246 Ca 0.18 -1.44 -0.27 0.00 -0.02 0.00 0.00 54.58 53.02 3ijr n ASN 246 Cb 0.40 0.29 -0.00 0.00 -2.36 0.00 0.00 39.78 38.11 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 -1.65 4.92 0.00 3.53 -7.23 -1.26 -4.94 120.40 113.78 3ijr s VAL 247 Ca 0.15 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 3ijr s VAL 247 Cb 0.13 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.21 3ijr s VAL 247 CO 0.32 -0.82 0.00 -2.65 -0.31 0.00 0.00 175.10 171.64 3ijr n PRO 248 N -2.19 0.00 -1.26 4.82 -0.02 -1.12 -4.54 135.00 130.69 3ijr n PRO 248 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 3ijr n PRO 248 Cb 0.55 -1.03 0.01 0.00 -0.02 0.00 0.00 33.50 33.01 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 1.30 0.15 -3.49 -0.52 6.02 -1.26 -5.02 117.38 114.55 3ijr n GLN 250 Ca 0.00 -0.20 -0.16 0.00 -0.01 0.00 0.00 57.00 56.63 3ijr n GLN 250 Cb 0.00 0.24 -0.05 0.00 1.02 0.00 0.00 30.24 31.46 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 1.12 0.60 -1.09 1.70 0.63 -4.58 118.95 117.34 3ijr s ARG 251 Ca 0.01 0.04 -0.15 0.00 -0.47 0.00 0.00 55.73 55.16 3ijr s ARG 251 Cb 0.05 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 3ijr s ARG 251 CO -0.01 -0.40 1.04 -1.25 -1.08 0.00 0.00 175.30 173.60 3ijr s PRO 252 N -1.96 3.37 0.55 3.89 0.04 -1.20 -4.74 135.00 134.95 3ijr s PRO 252 Ca -0.07 1.10 -0.09 0.00 0.04 0.00 0.00 61.00 61.98 3ijr s PRO 252 Cb -0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3ijr s PRO 252 CO 0.03 -0.76 0.93 0.20 0.04 0.00 0.00 177.00 177.44 3ijr s GLY 253 N -3.06 1.66 -0.06 0.56 0.00 0.28 -4.84 107.32 101.86 3ijr s GLY 253 Ca 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.09 3ijr s GLY 253 CO 0.40 0.02 0.09 1.20 0.00 0.00 0.00 173.10 174.81 3ijr s GLN 254 N -4.87 3.21 0.42 2.90 -1.52 -1.26 -1.02 119.66 117.52 3ijr s GLN 254 Ca 0.53 -0.34 0.24 0.00 -1.95 0.00 0.00 55.36 53.84 3ijr s GLN 254 Cb -0.11 -2.97 1.27 0.00 -0.22 0.00 0.00 33.01 30.98 3ijr s GLN 254 CO 0.48 0.70 1.70 -1.35 -0.25 0.00 0.00 175.29 176.57 3ijr h PRO 255 N 4.57 0.23 0.00 2.91 0.11 -1.76 0.28 132.00 138.34 3ijr h PRO 255 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3ijr h PRO 255 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ijr h PRO 255 CO 0.60 0.15 -0.13 0.10 -0.21 0.00 0.00 178.00 178.51 3ijr h TYR 256 N 0.24 0.00 0.00 0.65 -0.00 -1.64 -2.33 116.97 113.89 3ijr h TYR 256 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.43 3ijr h TYR 256 Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.75 3ijr h TYR 256 CO -0.00 0.13 0.00 0.39 -0.00 0.00 0.00 178.16 178.68 3ijr n GLU 257 N -3.42 0.38 -0.10 0.10 1.02 0.97 -3.07 120.64 116.53 3ijr n GLU 257 Ca -0.01 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 3ijr n GLU 257 Cb 0.31 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.20 0.58 -0.17 -4.62 7.99 -0.88 -4.71 117.00 114.00 3ijr n LEU 258 Ca 0.11 -0.02 -0.03 0.00 -0.01 0.00 0.00 56.01 56.06 3ijr n LEU 258 Cb 0.13 0.20 0.04 0.00 -0.11 0.00 0.00 43.42 43.68 3ijr n LEU 258 CO 0.14 0.54 0.75 0.00 -1.51 0.00 0.00 177.39 177.31 3ijr h ALA 259 N 0.73 0.32 -0.28 -1.18 0.00 -1.58 -1.75 119.26 115.52 3ijr h ALA 259 Ca -0.50 0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3ijr h ALA 259 Cb 2.06 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 3ijr h ALA 259 CO 0.01 -0.45 0.22 -1.35 0.00 0.00 0.00 179.25 177.67 3ijr h PRO 260 N -0.01 0.00 -0.51 0.00 0.11 -1.84 0.97 132.00 130.71 3ijr h PRO 260 Ca 0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 3ijr h PRO 260 Cb 0.40 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3ijr h PRO 260 CO -0.55 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.09 3ijr h ALA 261 N 1.83 0.71 -0.37 -0.75 0.00 -1.62 0.12 119.26 119.18 3ijr h ALA 261 Ca 0.13 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3ijr h ALA 261 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ijr h ALA 261 CO -0.00 0.65 -0.41 1.88 0.00 0.00 0.00 179.25 181.37 3ijr h TYR 262 N 0.87 1.12 -0.40 0.00 0.05 -0.88 -1.69 116.97 116.04 3ijr h TYR 262 Ca 0.13 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.56 3ijr h TYR 262 Cb 0.72 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3ijr h TYR 262 CO 0.05 1.18 0.24 0.28 -1.05 0.00 0.00 178.16 178.86 3ijr h VAL 263 N 0.75 1.13 -0.03 -2.88 2.07 -0.68 0.99 116.25 117.61 3ijr h VAL 263 Ca 0.05 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3ijr h VAL 263 Cb 1.01 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3ijr h VAL 263 CO 0.10 0.13 -0.24 0.22 0.02 0.00 0.00 177.57 177.80 3ijr h TYR 264 N 0.53 -0.64 0.00 1.57 3.20 -0.58 -2.20 116.97 118.85 3ijr h TYR 264 Ca 0.14 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3ijr h TYR 264 Cb 0.00 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3ijr h TYR 264 CO -0.03 -0.33 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.68 3ijr h LEU 265 N -0.36 0.00 0.00 2.82 3.38 -1.07 -3.12 115.31 116.95 3ijr h LEU 265 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ijr h LEU 265 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ijr h LEU 265 CO -0.23 0.41 -0.21 0.00 0.09 0.00 0.00 178.44 178.50 3ijr h ALA 266 N 1.59 0.88 -0.74 1.53 0.00 -0.53 -3.45 119.26 118.54 3ijr h ALA 266 Ca -0.00 -0.14 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 3ijr h ALA 266 Cb 0.74 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3ijr h ALA 266 CO 0.05 0.19 -0.16 -1.54 0.00 0.00 0.00 179.25 177.80 3ijr s SER 267 N -6.24 4.98 0.19 0.00 1.04 -0.85 -4.90 113.70 107.92 3ijr s SER 267 Ca 0.06 -0.95 0.16 0.00 0.48 0.00 0.00 55.95 55.70 3ijr s SER 267 Cb 0.06 0.32 0.78 0.00 0.10 0.00 0.00 66.02 67.28 3ijr s SER 267 CO 0.70 -1.27 1.50 -1.20 0.98 0.00 0.00 173.24 173.95 3ijr n SER 268 N -2.11 0.38 0.16 7.02 7.64 -1.26 -2.68 113.62 122.78 3ijr n SER 268 Ca 0.11 0.64 0.09 0.00 1.01 0.00 0.00 58.87 60.72 3ijr n SER 268 Cb 0.62 -0.71 0.59 0.00 -1.01 0.00 0.00 64.21 63.71 3ijr n SER 268 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ijr h ASP 269 N 0.00 0.12 -0.56 6.43 3.32 -1.91 -2.51 116.42 121.31 3ijr h ASP 269 Ca 0.00 -0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3ijr h ASP 269 Cb 0.13 -0.03 -0.19 0.00 0.22 0.00 0.00 39.33 39.46 3ijr h ASP 269 CO 0.00 0.08 0.04 -1.54 -1.72 0.00 0.00 179.24 176.11 3ijr n SER 270 N -4.50 3.40 0.20 6.45 3.41 -1.09 -4.78 113.62 116.70 3ijr n SER 270 Ca 0.01 -3.77 0.18 0.00 -0.26 0.00 0.00 58.87 55.03 3ijr n SER 270 Cb 0.16 -0.67 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 1.22 0.00 -0.52 4.04 4.64 -1.63 -0.15 113.55 121.15 3ijr h SER 271 Ca 0.34 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.55 3ijr h SER 271 Cb 1.76 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.78 3ijr h SER 271 CO 0.66 0.00 0.11 0.00 -0.87 0.00 0.00 176.83 176.73 3ijr n TYR 272 N -3.47 1.78 -4.15 4.77 9.36 -1.26 -4.93 117.16 119.26 3ijr n TYR 272 Ca 0.03 -1.09 -0.31 0.00 3.32 0.00 0.00 57.90 59.85 3ijr n TYR 272 Cb 0.46 -0.53 -0.16 0.00 -0.63 0.00 0.00 39.34 38.48 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 -2.95 1.71 -0.10 2.97 1.01 -0.07 -5.10 120.40 117.87 3ijr s VAL 273 Ca 0.50 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 3ijr s VAL 273 Cb 0.40 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 35.26 3ijr s VAL 273 CO 0.11 0.48 0.51 0.28 0.00 0.00 0.00 175.10 176.48 3ijr s THR 274 N 1.32 0.02 0.00 3.92 -1.32 -1.26 -4.68 115.64 113.64 3ijr s THR 274 Ca 0.02 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 3ijr s THR 274 Cb -0.13 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3ijr s THR 274 CO -0.09 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 3ijr n GLY 275 N 1.78 0.50 0.00 6.08 0.00 0.14 -4.96 105.19 108.73 3ijr n GLY 275 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.95 3.25 -3.57 1.61 1.13 -1.26 -4.67 117.38 110.92 3ijr n GLN 276 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 3ijr n GLN 276 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 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 4.13 -0.50 -0.47 5.09 -1.09 -0.62 -0.70 121.20 127.05 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 -0.61 0.03 0.00 -1.58 0.00 0.00 42.46 40.30 3ijr s ILE 278 CO 0.00 0.01 0.70 -1.00 -1.23 0.00 0.00 174.94 173.41 3ijr s HIS 279 N 2.48 3.02 -0.67 3.97 3.76 -1.26 -0.56 115.29 126.03 3ijr s HIS 279 Ca 0.04 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 54.81 3ijr s HIS 279 Cb -0.13 -3.52 0.17 0.00 1.11 0.00 0.00 32.58 30.21 3ijr s HIS 279 CO -0.12 -0.98 0.49 0.08 -0.85 0.00 0.00 174.74 173.36 3ijr s VAL 280 N 2.98 3.73 -0.00 -0.90 1.01 -0.97 -4.91 120.40 121.34 3ijr s VAL 280 Ca 0.23 -3.18 0.00 0.00 0.00 0.00 0.00 61.98 59.03 3ijr s VAL 280 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3ijr s VAL 280 CO 0.18 -0.91 0.71 -0.46 0.00 0.00 0.00 175.10 174.62 3ijr n ASN 281 N 3.22 0.14 0.00 3.32 0.23 -1.26 -1.59 115.26 119.32 3ijr n ASN 281 Ca 0.10 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 3ijr n ASN 281 Cb 0.37 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.06 0.48 0.00 4.83 0.00 -1.26 -4.07 105.19 105.12 3ijr n GLY 282 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.92 1.02 3.68 -0.02 0.00 -1.26 -2.79 105.19 102.90 3ijr n GLY 283 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ijr n GLY 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ijr s VAL 284 N -2.00 4.24 -0.03 1.61 1.01 -1.26 -4.65 120.40 119.33 3ijr s VAL 284 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 3ijr s VAL 284 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3ijr s VAL 284 CO 0.00 -0.05 1.01 -0.63 0.00 0.00 0.00 175.10 175.43 3ijr s ILE 285 N 2.69 4.76 -0.13 2.22 -1.09 -1.26 -4.92 121.20 123.47 3ijr s ILE 285 Ca 0.56 1.99 0.16 0.00 -2.23 0.00 0.00 60.65 61.13 3ijr s ILE 285 Cb -0.24 -4.28 0.39 0.00 -1.58 0.00 0.00 42.46 36.75 3ijr s ILE 285 CO 0.19 0.10 1.19 1.33 -1.23 0.00 0.00 174.94 176.53 3ijr n VAL 286 N 4.12 1.38 -3.34 2.92 0.24 -1.26 -4.94 118.33 117.46 3ijr n VAL 286 Ca 0.07 -2.29 -0.24 0.00 -2.04 0.00 0.00 64.34 59.84 3ijr n VAL 286 Cb 0.50 0.18 0.03 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.59 -5.18 0.00 -1.34 5.15 -1.26 -5.03 115.26 107.01 3ijr n ASN 287 Ca 0.14 -0.43 0.15 0.00 -0.60 0.00 0.00 54.58 53.84 3ijr n ASN 287 Cb 0.83 -4.19 0.87 0.00 -0.53 0.00 0.00 39.78 36.77 3ijr n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27