#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f9i n ALA 27 N 0.00 -2.17 0.00 3.55 0.00 -1.26 -4.62 120.51 116.01 2f9i n ALA 27 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2f9i n ALA 27 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2f9i n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f9i n GLY 28 N 0.29 2.24 0.27 0.00 0.00 -1.26 -4.77 105.19 101.96 2f9i n GLY 28 Ca 0.00 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.13 2f9i n GLY 28 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2f9i h ILE 29 N 0.00 0.00 -2.88 -0.61 3.07 -1.97 -3.43 117.51 111.69 2f9i h ILE 29 Ca 0.00 -0.43 -0.62 0.00 1.55 0.00 0.00 64.86 65.36 2f9i h ILE 29 Cb 0.00 1.40 -0.13 0.00 -0.27 0.00 0.00 36.82 37.81 2f9i h ILE 29 CO 0.00 0.00 -0.71 -0.04 -1.05 0.00 0.00 178.15 176.35 2f9i s MET 30 N -3.67 2.10 -0.03 0.16 -1.94 -1.26 -0.58 119.30 114.08 2f9i s MET 30 Ca 0.01 -1.29 0.01 0.00 -1.71 0.00 0.00 55.69 52.71 2f9i s MET 30 Cb 0.09 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.79 2f9i s MET 30 CO 0.51 0.43 -0.04 0.99 -0.01 0.00 0.00 175.02 176.90 2f9i s THR 31 N -1.80 0.45 -0.13 2.05 2.01 0.10 -4.68 115.64 113.64 2f9i s THR 31 Ca 0.26 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.01 2f9i s THR 31 Cb -0.08 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 2f9i s THR 31 CO 0.16 0.18 0.27 -0.75 -0.69 0.00 0.00 174.62 173.79 2f9i s LYS 32 N 0.62 4.06 -0.06 4.92 2.20 -1.26 -0.47 119.74 129.74 2f9i s LYS 32 Ca -0.08 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.32 2f9i s LYS 32 Cb -0.11 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2f9i s LYS 32 CO -0.00 0.41 1.47 0.00 -0.36 0.00 0.00 175.35 176.87 2f9i h PRO 34 N 8.62 0.00 0.00 0.00 0.11 -1.96 0.11 132.00 138.87 2f9i h PRO 34 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 2f9i h PRO 34 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2f9i h PRO 34 CO 0.94 0.00 -0.77 0.87 -0.21 0.00 0.00 178.00 178.83 2f9i h LYS 35 N 0.00 0.00 -0.01 1.05 1.79 -1.98 -3.41 116.57 114.01 2f9i h LYS 35 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2f9i h LYS 35 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2f9i h LYS 35 CO -0.00 0.49 -0.62 0.00 -1.08 0.00 0.00 179.45 178.24 2f9i n LYS 37 N -0.54 -0.63 -2.30 0.00 4.76 0.36 -4.98 118.16 114.83 2f9i n LYS 37 Ca 0.08 0.16 -0.41 0.00 -2.87 0.00 0.00 58.31 55.26 2f9i n LYS 37 Cb 0.42 -3.78 -0.03 0.00 -1.84 0.00 0.00 35.03 29.80 2f9i n LYS 37 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2f9i s LYS 38 N -0.79 4.45 -0.00 1.97 -0.14 -1.26 -4.60 119.74 119.37 2f9i s LYS 38 Ca 0.00 1.97 -0.19 0.00 -1.36 0.00 0.00 55.97 56.38 2f9i s LYS 38 Cb 0.00 -3.21 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 2f9i s LYS 38 CO 0.00 -0.15 0.56 0.42 -0.76 0.00 0.00 175.35 175.42 2f9i s ILE 39 N -0.11 4.92 0.04 2.17 1.01 -1.26 -0.94 121.20 127.02 2f9i s ILE 39 Ca 0.54 1.17 0.02 0.00 0.00 0.00 0.00 60.65 62.38 2f9i s ILE 39 Cb -0.35 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2f9i s ILE 39 CO 0.38 0.45 -0.08 -0.04 0.00 0.00 0.00 174.94 175.65 2f9i s MET 40 N -0.36 0.55 0.15 2.79 -1.94 0.38 -4.97 119.30 115.89 2f9i s MET 40 Ca 0.29 -0.70 -0.32 0.00 -1.71 0.00 0.00 55.69 53.25 2f9i s MET 40 Cb -0.18 -0.37 -0.12 0.00 2.01 0.00 0.00 34.83 36.17 2f9i s MET 40 CO 0.16 0.07 1.74 0.66 -0.01 0.00 0.00 175.02 177.65 2f9i n TYR 41 N 1.65 2.56 -0.25 -0.03 4.01 -1.26 0.01 117.16 123.85 2f9i n TYR 41 Ca -0.21 0.02 -0.01 0.00 -0.16 0.00 0.00 57.90 57.55 2f9i n TYR 41 Cb 0.55 -2.66 0.11 0.00 -0.31 0.00 0.00 39.34 37.03 2f9i n TYR 41 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2f9i h THR 42 N 4.17 0.96 0.19 -0.72 2.02 -1.11 -0.97 112.91 117.44 2f9i h THR 42 Ca -0.45 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.50 2f9i h THR 42 Cb 1.23 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2f9i h THR 42 CO 0.94 0.13 -0.47 0.11 0.37 0.00 0.00 175.52 176.59 2f9i h LYS 43 N 0.72 -0.72 -0.98 6.66 1.57 -1.91 0.16 116.57 122.07 2f9i h LYS 43 Ca 0.32 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.18 2f9i h LYS 43 Cb 0.22 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 2f9i h LYS 43 CO -0.20 -0.48 0.64 0.93 -0.57 0.00 0.00 179.45 179.77 2f9i h GLU 44 N -0.75 1.21 -0.14 3.15 3.07 -1.91 -1.33 114.58 117.88 2f9i h GLU 44 Ca -0.00 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2f9i h GLU 44 Cb 0.74 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2f9i h GLU 44 CO -0.23 0.80 0.08 1.25 -1.40 0.00 0.00 179.01 179.51 2f9i h LEU 45 N 1.25 0.18 -0.87 1.33 5.85 -0.86 -1.90 115.31 120.29 2f9i h LEU 45 Ca 0.38 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.09 2f9i h LEU 45 Cb -0.02 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2f9i h LEU 45 CO -0.11 0.20 0.54 0.00 -0.34 0.00 0.00 178.44 178.73 2f9i h ALA 46 N 0.98 1.20 0.00 1.25 0.00 -0.70 -0.06 119.26 121.92 2f9i h ALA 46 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2f9i h ALA 46 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2f9i h ALA 46 CO -0.01 0.28 -0.13 0.93 0.00 0.00 0.00 179.25 180.33 2f9i h GLU 47 N 0.98 0.00 -0.74 0.00 5.08 -1.11 -1.45 114.58 117.34 2f9i h GLU 47 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2f9i h GLU 47 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2f9i h GLU 47 CO -0.18 0.13 0.00 -1.71 -1.00 0.00 0.00 179.01 176.25 2f9i n ASN 48 N -3.80 3.10 -3.51 1.42 4.05 -0.25 -4.91 115.26 111.36 2f9i n ASN 48 Ca -0.02 -2.39 -0.25 0.00 0.45 0.00 0.00 54.58 52.37 2f9i n ASN 48 Cb 0.23 -0.54 0.04 0.00 1.23 0.00 0.00 39.78 40.74 2f9i n ASN 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2f9i n LEU 49 N 0.33 -2.75 -2.80 1.20 4.77 -0.55 -2.10 117.00 115.10 2f9i n LEU 49 Ca 0.13 -0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 55.38 2f9i n LEU 49 Cb 0.65 -2.78 0.01 0.00 -2.33 0.00 0.00 43.42 38.98 2f9i n LEU 49 CO 0.15 0.43 -0.11 0.59 -1.33 0.00 0.00 177.39 177.12 2f9i n ASN 50 N -2.75 -5.35 -4.65 -1.43 5.03 -0.20 -4.86 115.26 101.04 2f9i n ASN 50 Ca -0.01 -0.15 -0.37 0.00 0.87 0.00 0.00 54.58 54.92 2f9i n ASN 50 Cb 0.56 -4.40 -0.10 0.00 -1.02 0.00 0.00 39.78 34.82 2f9i n ASN 50 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2f9i s VAL 51 N -3.01 5.35 0.06 2.41 1.01 -0.89 -1.11 120.40 124.21 2f9i s VAL 51 Ca 0.18 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2f9i s VAL 51 Cb -0.09 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 2f9i s VAL 51 CO 0.23 0.33 1.95 0.00 0.00 0.00 0.00 175.10 177.61 2f9i n PHE 53 N 7.16 0.00 -0.03 0.00 1.16 -1.26 -0.67 117.46 123.82 2f9i n PHE 53 Ca 0.20 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.57 2f9i n PHE 53 Cb 0.40 -0.18 -0.13 0.00 -1.61 0.00 0.00 39.48 37.96 2f9i n PHE 53 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2f9i n ASN 54 N -1.18 2.09 0.00 5.98 3.02 -1.26 -4.70 115.26 119.21 2f9i n ASN 54 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 2f9i n ASN 54 Cb 0.18 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 2f9i n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2f9i n ASP 56 N -0.19 -2.75 -4.69 0.00 2.03 0.16 -4.99 116.55 106.12 2f9i n ASP 56 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 2f9i n ASP 56 Cb 0.07 -0.93 -0.04 0.00 -0.72 0.00 0.00 41.12 39.50 2f9i n ASP 56 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2f9i n HIS 57 N -2.63 2.52 -2.80 -0.67 -0.00 -1.26 -4.65 115.22 105.73 2f9i n HIS 57 Ca 0.00 0.08 -0.43 0.00 -0.00 0.00 0.00 57.72 57.37 2f9i n HIS 57 Cb 0.07 -2.64 -0.04 0.00 -0.00 0.00 0.00 29.99 27.39 2f9i n HIS 57 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f9i s HIS 58 N 1.63 3.00 0.13 1.57 3.76 -1.26 -1.21 115.29 122.90 2f9i s HIS 58 Ca 0.79 0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 56.17 2f9i s HIS 58 Cb -0.58 -3.82 -0.07 0.00 1.11 0.00 0.00 32.58 29.22 2f9i s HIS 58 CO 0.37 -0.96 0.52 0.42 -0.85 0.00 0.00 174.74 174.24 2f9i s ILE 59 N 3.64 4.89 0.34 0.60 1.01 -0.27 -5.00 121.20 126.41 2f9i s ILE 59 Ca 0.38 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 2f9i s ILE 59 Cb -0.11 -3.73 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 2f9i s ILE 59 CO 0.23 0.28 0.78 0.00 0.00 0.00 0.00 174.94 176.22 2f9i n ALA 60 N 0.89 -1.01 -2.81 9.38 0.00 -1.26 -4.79 120.51 120.91 2f9i n ALA 60 Ca -0.06 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 2f9i n ALA 60 Cb 0.52 -1.88 -0.13 0.00 0.00 0.00 0.00 19.45 17.96 2f9i n ALA 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2f9i s LEU 61 N 1.15 2.92 0.76 0.00 2.96 -1.26 -4.95 118.68 120.27 2f9i s LEU 61 Ca 0.61 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 2f9i s LEU 61 Cb -0.69 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 44.40 2f9i s LEU 61 CO 0.58 0.25 1.08 0.42 -1.32 0.00 0.00 176.35 177.37 2f9i s THR 62 N -0.14 3.46 0.15 3.68 -4.23 -1.26 -4.78 115.64 112.52 2f9i s THR 62 Ca 0.00 0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 60.82 2f9i s THR 62 Cb -0.13 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.72 2f9i s THR 62 CO 0.03 -0.62 1.72 0.00 -0.54 0.00 0.00 174.62 175.21 2f9i h ALA 63 N -1.05 0.32 -0.27 3.99 0.00 -1.89 -0.63 119.26 119.73 2f9i h ALA 63 Ca -0.44 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2f9i h ALA 63 Cb 1.23 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2f9i h ALA 63 CO 0.53 -0.37 -0.30 1.88 0.00 0.00 0.00 179.25 180.98 2f9i h TYR 64 N 0.14 0.65 -0.20 0.00 0.05 -1.94 -2.16 116.97 113.51 2f9i h TYR 64 Ca 0.16 -0.16 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2f9i h TYR 64 Cb 0.20 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2f9i h TYR 64 CO -0.21 0.81 -0.29 0.87 -1.05 0.00 0.00 178.16 178.30 2f9i h LYS 65 N 0.49 0.38 -0.11 4.88 1.79 -1.78 -1.22 116.57 121.01 2f9i h LYS 65 Ca 0.06 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2f9i h LYS 65 Cb 0.77 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2f9i h LYS 65 CO 0.06 0.64 0.04 -0.09 -1.08 0.00 0.00 179.45 179.02 2f9i h ARG 66 N 0.34 0.17 -0.90 3.15 9.65 -0.87 -1.32 114.38 124.60 2f9i h ARG 66 Ca 0.05 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 2f9i h ARG 66 Cb 0.68 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.18 2f9i h ARG 66 CO 0.05 0.31 0.58 0.82 2.80 0.00 0.00 179.97 184.54 2f9i h ILE 67 N -0.00 1.15 -0.57 1.20 2.04 -1.21 -1.94 117.51 118.17 2f9i h ILE 67 Ca 0.04 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2f9i h ILE 67 Cb 0.21 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 2f9i h ILE 67 CO -0.00 0.21 0.32 -0.08 0.00 0.00 0.00 178.15 178.60 2f9i h GLU 68 N 1.13 0.78 0.00 2.37 4.81 -1.04 -2.63 114.58 120.00 2f9i h GLU 68 Ca 0.36 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2f9i h GLU 68 Cb 0.01 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2f9i h GLU 68 CO -0.12 0.58 -0.06 0.00 -0.73 0.00 0.00 179.01 178.68 2f9i h ALA 69 N 1.15 1.23 -0.15 2.92 0.00 -0.45 -3.18 119.26 120.78 2f9i h ALA 69 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2f9i h ALA 69 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2f9i h ALA 69 CO -0.03 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.74 2f9i n ILE 70 N -3.50 1.19 -4.23 0.00 -5.35 -1.04 -4.69 119.36 101.74 2f9i n ILE 70 Ca -0.02 -1.20 -0.13 0.00 -0.27 0.00 0.00 62.75 61.13 2f9i n ILE 70 Cb 0.19 0.37 -0.10 0.00 -1.74 0.00 0.00 39.64 38.35 2f9i n ILE 70 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2f9i s SER 71 N -1.26 1.43 0.25 7.28 1.04 -1.02 -4.59 113.70 116.83 2f9i s SER 71 Ca 0.15 -1.08 -0.30 0.00 0.48 0.00 0.00 55.95 55.20 2f9i s SER 71 Cb 0.10 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 66.19 2f9i s SER 71 CO 0.07 -0.46 1.19 -1.81 0.98 0.00 0.00 173.24 173.21 2f9i s ASP 72 N -3.15 7.08 0.15 7.02 1.01 0.19 -4.93 116.67 124.03 2f9i s ASP 72 Ca 0.19 2.36 -0.34 0.00 0.71 0.00 0.00 52.55 55.46 2f9i s ASP 72 Cb 0.05 -2.62 -0.16 0.00 1.01 0.00 0.00 42.92 41.20 2f9i s ASP 72 CO 0.01 -0.33 1.29 1.21 0.21 0.00 0.00 175.17 177.56 2f9i n GLU 73 N 1.66 1.33 -0.98 8.23 2.13 -1.26 -1.90 120.64 129.85 2f9i n GLU 73 Ca 0.01 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2f9i n GLU 73 Cb 0.44 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.08 2f9i n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2f9i n GLY 74 N 2.34 0.28 0.00 8.31 0.00 -1.26 -4.90 105.19 109.97 2f9i n GLY 74 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2f9i n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f9i n SER 75 N -0.44 0.75 -4.68 1.61 3.41 -0.80 -4.92 113.62 108.54 2f9i n SER 75 Ca 0.00 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.58 2f9i n SER 75 Cb 0.22 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 2f9i n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2f9i s PHE 76 N -3.03 3.26 -0.27 7.33 5.36 -1.26 -4.24 117.98 125.13 2f9i s PHE 76 Ca 0.08 1.33 -0.04 0.00 -0.96 0.00 0.00 56.93 57.34 2f9i s PHE 76 Cb 0.16 -3.35 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 2f9i s PHE 76 CO 0.80 -0.97 0.00 0.99 -1.46 0.00 0.00 175.22 174.58 2f9i s THR 77 N 2.35 3.33 0.17 0.12 2.01 0.15 -4.99 115.64 118.78 2f9i s THR 77 Ca 0.53 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2f9i s THR 77 Cb -0.22 -2.73 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 2f9i s THR 77 CO 0.19 0.12 1.06 -0.70 -0.69 0.00 0.00 174.62 174.59 2f9i s GLU 78 N 1.39 4.64 0.05 4.92 2.12 -1.26 -1.10 118.70 129.46 2f9i s GLU 78 Ca 0.01 1.64 0.01 0.00 0.36 0.00 0.00 54.97 56.99 2f9i s GLU 78 Cb -0.17 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2f9i s GLU 78 CO -0.01 0.15 0.13 -0.06 -0.54 0.00 0.00 175.26 174.92 2f9i s PHE 79 N -0.30 3.34 -1.81 5.30 0.40 -0.13 -4.67 117.98 120.11 2f9i s PHE 79 Ca 0.48 0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 56.80 2f9i s PHE 79 Cb -0.28 -1.70 0.19 0.00 0.51 0.00 0.00 43.02 41.73 2f9i s PHE 79 CO 0.34 0.56 0.49 -0.25 0.70 0.00 0.00 175.22 177.06 2f9i n ASP 80 N 0.59 -1.34 0.21 1.36 8.00 -1.26 -4.50 116.55 119.60 2f9i n ASP 80 Ca -0.09 -1.24 0.12 0.00 0.71 0.00 0.00 54.79 54.29 2f9i n ASP 80 Cb 0.52 -1.67 0.68 0.00 -0.02 0.00 0.00 41.12 40.62 2f9i n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2f9i h LYS 81 N -1.09 0.00 -0.01 -1.24 3.64 -1.92 -2.71 116.57 113.24 2f9i h LYS 81 Ca -0.61 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2f9i h LYS 81 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2f9i h LYS 81 CO 0.85 0.00 -0.36 0.41 -2.27 0.00 0.00 179.45 178.09 2f9i n GLY 82 N -1.54 -0.18 3.78 5.01 0.00 -1.26 -4.77 105.19 106.24 2f9i n GLY 82 Ca -0.00 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2f9i n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2f9i n MET 83 N -0.20 2.68 -4.15 1.61 0.00 -1.02 -5.00 117.12 111.03 2f9i n MET 83 Ca 0.11 0.94 -0.10 0.00 -0.00 0.00 0.00 57.70 58.64 2f9i n MET 83 Cb 0.42 -2.68 -0.10 0.00 0.00 0.00 0.00 33.22 30.86 2f9i n MET 83 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2f9i s THR 84 N -1.12 0.62 0.31 1.12 -1.32 -1.26 -4.68 115.64 109.30 2f9i s THR 84 Ca 0.54 -1.82 -0.27 0.00 -1.21 0.00 0.00 61.69 58.93 2f9i s THR 84 Cb -0.47 -1.54 -0.10 0.00 -1.51 0.00 0.00 72.50 68.89 2f9i s THR 84 CO 0.64 -0.83 0.98 -0.44 -2.21 0.00 0.00 174.62 172.75 2f9i s SER 85 N -2.86 7.30 0.59 8.08 0.01 -1.26 -4.91 113.70 120.65 2f9i s SER 85 Ca 0.09 1.94 0.09 0.00 1.31 0.00 0.00 55.95 59.38 2f9i s SER 85 Cb 0.04 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.77 2f9i s SER 85 CO -0.05 -0.10 0.77 0.00 0.41 0.00 0.00 173.24 174.27 2f9i n ALA 86 N 0.72 1.22 -3.35 1.44 0.00 -1.26 -5.04 120.51 114.23 2f9i n ALA 86 Ca 0.01 -2.17 -0.26 0.00 0.00 0.00 0.00 53.44 51.01 2f9i n ALA 86 Cb 0.49 0.64 -0.08 0.00 0.00 0.00 0.00 19.45 20.50 2f9i n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2f9i n ASN 87 N -2.25 3.32 0.29 0.00 2.85 -1.26 -4.94 115.26 113.27 2f9i n ASN 87 Ca 0.14 -3.36 0.13 0.00 -0.11 0.00 0.00 54.58 51.39 2f9i n ASN 87 Cb 0.62 -0.66 0.84 0.00 1.24 0.00 0.00 39.78 41.82 2f9i n ASN 87 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2f9i h PRO 88 N 4.05 0.00 -0.02 1.20 0.13 -1.97 -1.17 132.00 134.22 2f9i h PRO 88 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2f9i h PRO 88 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2f9i h PRO 88 CO 0.78 0.02 -0.15 1.28 -0.23 0.00 0.00 178.00 179.71 2f9i n LEU 89 N -3.96 2.04 -3.76 1.56 4.77 -1.26 -4.96 117.00 111.43 2f9i n LEU 89 Ca -0.03 -0.68 -0.27 0.00 -0.03 0.00 0.00 56.01 55.00 2f9i n LEU 89 Cb 0.10 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2f9i n LEU 89 CO 0.29 0.35 0.18 0.47 -1.33 0.00 0.00 177.39 177.35 2f9i n ASP 90 N 0.39 -5.58 -4.69 -1.43 8.00 -0.44 -4.91 116.55 107.88 2f9i n ASP 90 Ca 0.14 -0.66 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 2f9i n ASP 90 Cb 0.46 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.09 2f9i n ASP 90 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2f9i s PHE 91 N -3.31 2.74 0.29 1.24 5.36 -1.26 -4.93 117.98 118.11 2f9i s PHE 91 Ca 0.63 0.63 -0.30 0.00 -0.96 0.00 0.00 56.93 56.93 2f9i s PHE 91 Cb -0.30 -3.79 -0.12 0.00 -0.34 0.00 0.00 43.02 38.47 2f9i s PHE 91 CO 0.78 -3.03 1.59 -2.30 -1.46 0.00 0.00 175.22 170.80 2f9i n PRO 92 N 5.23 2.67 -1.00 10.12 -0.02 -1.26 -2.96 135.00 147.78 2f9i n PRO 92 Ca 0.14 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 2f9i n PRO 92 Cb 0.42 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2f9i n PRO 92 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2f9i n SER 93 N 2.18 -3.96 0.14 2.55 2.88 -1.26 -4.92 113.62 111.22 2f9i n SER 93 Ca 0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.54 2f9i n SER 93 Cb 0.36 -1.49 -0.05 0.00 -0.75 0.00 0.00 64.21 62.29 2f9i n SER 93 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2f9i h TYR 94 N 0.00 -0.40 -0.01 0.66 3.20 -1.94 -2.23 116.97 116.24 2f9i h TYR 94 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2f9i h TYR 94 Cb 0.33 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 2f9i h TYR 94 CO 0.21 -0.16 0.01 -0.07 -1.64 0.00 0.00 178.16 176.51 2f9i h LEU 95 N -1.06 0.00 -0.14 2.82 3.38 -1.91 -1.26 115.31 117.13 2f9i h LEU 95 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2f9i h LEU 95 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2f9i h LEU 95 CO 0.07 0.00 -0.39 -0.33 0.09 0.00 0.00 178.44 177.88 2f9i h GLU 96 N 0.00 0.52 -0.33 1.13 3.07 -1.97 -2.39 114.58 114.61 2f9i h GLU 96 Ca 0.00 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.47 2f9i h GLU 96 Cb 0.03 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2f9i h GLU 96 CO -0.00 0.98 0.06 0.87 -1.40 0.00 0.00 179.01 179.52 2f9i h LYS 97 N 0.14 0.48 -0.05 2.33 1.57 -0.62 -2.61 116.57 117.82 2f9i h LYS 97 Ca -0.01 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2f9i h LYS 97 Cb 1.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2f9i h LYS 97 CO 0.08 0.46 -0.04 0.82 -0.57 0.00 0.00 179.45 180.21 2f9i h ILE 98 N 0.47 1.36 -0.95 1.86 2.04 -1.35 -2.85 117.51 118.08 2f9i h ILE 98 Ca 0.11 -1.13 0.13 0.00 1.00 0.00 0.00 64.86 64.97 2f9i h ILE 98 Cb 0.22 2.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 2f9i h ILE 98 CO -0.00 0.31 0.58 -0.08 0.00 0.00 0.00 178.15 178.95 2f9i h GLU 99 N -0.31 0.87 -0.44 2.37 4.81 -1.34 0.26 114.58 120.80 2f9i h GLU 99 Ca 0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2f9i h GLU 99 Cb 0.51 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2f9i h GLU 99 CO 0.01 0.57 0.15 0.87 -0.73 0.00 0.00 179.01 179.88 2f9i h LYS 100 N 0.89 0.68 -0.74 1.92 1.79 -1.45 -0.72 116.57 118.95 2f9i h LYS 100 Ca 0.48 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.75 2f9i h LYS 100 Cb 0.52 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 2f9i h LYS 100 CO -0.28 0.66 0.23 -0.44 -1.08 0.00 0.00 179.45 178.53 2f9i h ASP 101 N 0.58 1.08 -0.99 0.86 3.45 -1.16 0.11 116.42 120.36 2f9i h ASP 101 Ca 0.14 -0.21 0.05 0.00 0.43 0.00 0.00 57.03 57.45 2f9i h ASP 101 Cb 0.25 -0.28 -0.06 0.00 -0.56 0.00 0.00 39.33 38.67 2f9i h ASP 101 CO -0.01 1.00 0.64 1.56 -1.57 0.00 0.00 179.24 180.87 2f9i h GLN 102 N 1.10 1.16 -0.25 3.56 4.20 -0.73 -0.85 115.11 123.29 2f9i h GLN 102 Ca 0.24 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 2f9i h GLN 102 Cb 0.31 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2f9i h GLN 102 CO -0.01 0.76 -0.57 1.96 -0.67 0.00 0.00 178.83 180.31 2f9i h GLN 103 N 1.19 0.79 -0.23 1.46 4.20 -0.55 0.74 115.11 122.71 2f9i h GLN 103 Ca 0.41 -0.51 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 2f9i h GLN 103 Cb 0.11 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2f9i h GLN 103 CO -0.16 1.14 -0.47 -0.22 -0.67 0.00 0.00 178.83 178.46 2f9i h LYS 104 N 0.60 0.59 0.00 1.46 3.64 -0.82 -3.35 116.57 118.70 2f9i h LYS 104 Ca 0.01 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2f9i h LYS 104 Cb 1.16 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2f9i h LYS 104 CO 0.12 0.93 -1.46 0.25 -2.27 0.00 0.00 179.45 177.03 2f9i n THR 105 N -4.00 0.00 -0.97 1.00 -2.24 -0.34 -4.99 114.28 102.73 2f9i n THR 105 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2f9i n THR 105 Cb 0.56 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2f9i n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f9i n GLY 106 N 1.78 0.36 3.90 3.38 0.00 0.25 -5.02 105.19 109.84 2f9i n GLY 106 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2f9i n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f9i s LEU 107 N 0.00 4.13 0.05 0.99 1.43 -1.25 -5.02 118.68 119.01 2f9i s LEU 107 Ca 0.00 0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 53.62 2f9i s LEU 107 Cb 0.00 -3.49 -0.15 0.00 0.03 0.00 0.00 46.19 42.58 2f9i s LEU 107 CO 0.00 -0.11 1.30 0.11 0.23 0.00 0.00 176.35 177.87 2f9i h LYS 108 N 2.07 0.51 -3.55 1.70 6.56 -1.91 -3.37 116.57 118.58 2f9i h LYS 108 Ca -0.47 -0.34 -0.14 0.00 -1.06 0.00 0.00 60.65 58.64 2f9i h LYS 108 Cb 1.18 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.85 2f9i h LYS 108 CO 0.68 0.95 0.04 -1.21 -2.06 0.00 0.00 179.45 177.85 2f9i s GLU 109 N -3.98 2.06 -0.02 3.15 0.41 -1.26 -4.82 118.70 114.24 2f9i s GLU 109 Ca -0.13 -1.58 0.03 0.00 -0.41 0.00 0.00 54.97 52.88 2f9i s GLU 109 Cb 0.06 0.54 0.11 0.00 -1.78 0.00 0.00 34.13 33.06 2f9i s GLU 109 CO 0.80 -0.91 0.91 0.00 -0.49 0.00 0.00 175.26 175.57 2f9i n ALA 110 N -0.54 2.59 -2.90 5.21 0.00 -1.26 -4.71 120.51 118.89 2f9i n ALA 110 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 2f9i n ALA 110 Cb 0.61 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 2f9i n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f9i s VAL 111 N -1.59 0.02 -0.17 0.00 0.11 -1.26 -0.56 120.40 116.95 2f9i s VAL 111 Ca 0.08 -0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2f9i s VAL 111 Cb 0.05 -0.07 -0.00 0.00 -1.53 0.00 0.00 36.38 34.83 2f9i s VAL 111 CO 0.04 -0.09 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.90 2f9i s VAL 112 N -0.26 2.76 0.29 2.04 1.01 -0.56 -4.97 120.40 120.72 2f9i s VAL 112 Ca -0.03 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2f9i s VAL 112 Cb -0.02 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 2f9i s VAL 112 CO -0.00 0.50 -0.13 0.42 0.00 0.00 0.00 175.10 175.89 2f9i s THR 113 N 1.02 2.15 -5.00 3.92 -4.23 -1.26 -0.78 115.64 111.46 2f9i s THR 113 Ca -0.01 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 2f9i s THR 113 Cb -0.15 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2f9i s THR 113 CO -0.03 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 2f9i n GLY 114 N -0.64 -0.62 3.54 3.99 0.00 -0.77 -0.95 105.19 109.72 2f9i n GLY 114 Ca -0.05 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 2f9i n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f9i s THR 115 N -2.94 2.93 0.34 2.61 -4.23 -0.26 -0.28 115.64 113.80 2f9i s THR 115 Ca 0.00 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 2f9i s THR 115 Cb 0.00 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.39 2f9i s THR 115 CO 0.00 -0.25 0.62 0.00 -0.54 0.00 0.00 174.62 174.46 2f9i n ALA 116 N -0.31 -1.23 -2.84 3.99 0.00 -0.41 -0.68 120.51 119.04 2f9i n ALA 116 Ca -0.09 -1.19 -0.14 0.00 0.00 0.00 0.00 53.44 52.03 2f9i n ALA 116 Cb 0.57 0.95 -0.12 0.00 0.00 0.00 0.00 19.45 20.85 2f9i n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2f9i s GLN 117 N -2.24 0.51 -0.12 0.00 -0.21 -1.26 -1.33 119.66 115.01 2f9i s GLN 117 Ca 0.17 -0.63 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 2f9i s GLN 117 Cb -0.03 -0.33 0.03 0.00 1.00 0.00 0.00 33.01 33.68 2f9i s GLN 117 CO 0.12 0.07 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.16 2f9i s LEU 118 N -1.24 1.10 -1.57 2.90 2.96 -0.39 0.56 118.68 122.99 2f9i s LEU 118 Ca -0.07 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 2f9i s LEU 118 Cb -0.08 -0.70 0.10 0.00 0.50 0.00 0.00 46.19 46.01 2f9i s LEU 118 CO 0.00 -0.18 0.91 0.47 -1.32 0.00 0.00 176.35 176.23 2f9i n ASP 119 N 5.00 -4.20 0.00 3.68 8.00 -1.26 -1.47 116.55 126.30 2f9i n ASP 119 Ca -0.10 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.55 2f9i n ASP 119 Cb 0.49 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 2f9i n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f9i n GLY 120 N -1.62 1.37 3.67 0.44 0.00 -1.26 -5.02 105.19 102.78 2f9i n GLY 120 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2f9i n GLY 120 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f9i s MET 121 N -0.17 4.12 0.29 1.61 -1.94 -0.54 -5.02 119.30 117.65 2f9i s MET 121 Ca 0.00 -0.04 -0.25 0.00 -1.71 0.00 0.00 55.69 53.68 2f9i s MET 121 Cb 0.00 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 2f9i s MET 121 CO 0.00 0.02 0.90 0.21 -0.01 0.00 0.00 175.02 176.14 2f9i s LYS 122 N 1.15 4.56 0.07 2.03 2.20 -1.26 -1.27 119.74 127.22 2f9i s LYS 122 Ca 0.13 1.26 -0.18 0.00 -0.36 0.00 0.00 55.97 56.83 2f9i s LYS 122 Cb -0.14 -2.88 0.04 0.00 -1.51 0.00 0.00 37.83 33.33 2f9i s LYS 122 CO 0.06 0.34 0.41 -0.59 -0.36 0.00 0.00 175.35 175.21 2f9i s PHE 123 N -1.53 -0.25 0.19 4.03 -0.12 -0.44 -4.44 117.98 115.42 2f9i s PHE 123 Ca 0.47 0.14 -0.07 0.00 -0.05 0.00 0.00 56.93 57.42 2f9i s PHE 123 Cb -0.19 0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.37 2f9i s PHE 123 CO 0.24 -0.61 0.47 0.20 -0.05 0.00 0.00 175.22 175.48 2f9i s GLY 124 N -2.23 2.26 0.02 1.99 0.00 -0.11 -1.28 107.32 107.97 2f9i s GLY 124 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.23 2f9i s GLY 124 CO -0.05 -0.28 0.11 0.54 0.00 0.00 0.00 173.10 173.41 2f9i s VAL 125 N -1.75 0.11 -0.11 1.40 0.11 0.61 -0.96 120.40 119.82 2f9i s VAL 125 Ca 0.45 -0.91 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 2f9i s VAL 125 Cb -0.12 -0.66 0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2f9i s VAL 125 CO 0.23 -0.50 0.23 0.00 -3.33 0.00 0.00 175.10 171.73 2f9i s ALA 126 N -2.03 -0.48 -0.19 1.54 0.00 -0.68 -1.85 121.76 118.07 2f9i s ALA 126 Ca -0.10 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2f9i s ALA 126 Cb -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.28 2f9i s ALA 126 CO -0.02 -0.45 -0.16 0.08 0.00 0.00 0.00 175.76 175.21 2f9i s VAL 127 N 1.92 1.91 0.30 0.00 1.01 0.04 -0.09 120.40 125.50 2f9i s VAL 127 Ca -0.03 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 2f9i s VAL 127 Cb -0.11 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 2f9i s VAL 127 CO -0.08 0.39 0.86 -0.04 0.00 0.00 0.00 175.10 176.24 2f9i s MET 128 N 1.32 4.43 -0.26 2.72 -1.94 -0.37 -1.50 119.30 123.70 2f9i s MET 128 Ca 0.02 1.14 0.02 0.00 -1.71 0.00 0.00 55.69 55.16 2f9i s MET 128 Cb -0.14 -2.77 0.07 0.00 2.01 0.00 0.00 34.83 33.99 2f9i s MET 128 CO -0.11 0.29 -0.05 0.34 -0.01 0.00 0.00 175.02 175.48 2f9i s ASP 129 N -1.68 4.23 0.00 3.03 -1.08 0.27 -4.57 116.67 116.86 2f9i s ASP 129 Ca 0.49 -1.42 0.16 0.00 -0.52 0.00 0.00 52.55 51.25 2f9i s ASP 129 Cb -0.17 -1.37 0.86 0.00 -1.46 0.00 0.00 42.92 40.78 2f9i s ASP 129 CO 0.22 -0.25 1.40 -1.54 0.52 0.00 0.00 175.17 175.52 2f9i n SER 130 N 4.52 0.00 0.09 -0.34 3.41 -1.26 -2.20 113.62 117.85 2f9i n SER 130 Ca -0.10 -0.21 -0.04 0.00 -0.26 0.00 0.00 58.87 58.26 2f9i n SER 130 Cb 0.43 -0.14 0.16 0.00 -0.26 0.00 0.00 64.21 64.39 2f9i n SER 130 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2f9i h ARG 131 N 0.00 0.22 -5.37 4.33 3.08 -1.94 -3.10 114.38 111.59 2f9i h ARG 131 Ca 0.00 -0.13 -0.65 0.00 0.07 0.00 0.00 59.98 59.27 2f9i h ARG 131 Cb 0.07 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 29.98 2f9i h ARG 131 CO 0.00 0.71 0.27 0.12 -1.07 0.00 0.00 179.97 180.00 2f9i s PHE 132 N -3.86 2.94 -1.47 3.04 5.36 -0.93 -4.32 117.98 118.73 2f9i s PHE 132 Ca -0.04 -0.29 -0.12 0.00 -0.96 0.00 0.00 56.93 55.52 2f9i s PHE 132 Cb 0.12 -3.76 0.07 0.00 -0.34 0.00 0.00 43.02 39.12 2f9i s PHE 132 CO 0.79 -1.16 0.79 0.54 -1.46 0.00 0.00 175.22 174.71 2f9i n ARG 133 N 6.73 -4.76 -1.29 10.12 5.12 -1.26 -0.78 116.66 130.54 2f9i n ARG 133 Ca -0.03 0.60 -0.10 0.00 -1.93 0.00 0.00 57.85 56.38 2f9i n ARG 133 Cb 0.46 -5.43 -0.04 0.00 -1.16 0.00 0.00 32.46 26.29 2f9i n ARG 133 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2f9i n MET 134 N -4.32 -1.72 -1.58 5.56 2.81 -1.17 -1.24 117.12 115.45 2f9i n MET 134 Ca 0.01 0.85 -0.12 0.00 -1.81 0.00 0.00 57.70 56.63 2f9i n MET 134 Cb 0.54 -5.26 -0.04 0.00 -0.71 0.00 0.00 33.22 27.75 2f9i n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f9i n GLY 135 N 0.29 0.92 3.77 3.03 0.00 0.04 -0.01 105.19 113.22 2f9i n GLY 135 Ca -0.10 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 2f9i n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f9i s SER 136 N -2.76 6.80 -0.35 1.61 1.04 -0.37 -4.40 113.70 115.26 2f9i s SER 136 Ca 0.00 2.54 -0.17 0.00 0.48 0.00 0.00 55.95 58.80 2f9i s SER 136 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 2f9i s SER 136 CO 0.00 -0.50 0.47 -0.32 0.98 0.00 0.00 173.24 173.87 2f9i s MET 137 N -1.84 3.60 0.00 4.02 1.75 -1.26 -4.71 119.30 120.86 2f9i s MET 137 Ca 0.50 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.71 2f9i s MET 137 Cb -0.36 -3.81 0.00 0.00 2.84 0.00 0.00 34.83 33.50 2f9i s MET 137 CO 0.48 -0.62 0.00 0.41 -0.65 0.00 0.00 175.02 174.64 2f9i n GLY 138 N 4.84 4.17 0.29 2.11 0.00 -1.26 -4.18 105.19 111.16 2f9i n GLY 138 Ca -0.06 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2f9i n GLY 138 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2f9i h SER 139 N 0.00 0.65 0.14 1.61 0.02 -1.93 -1.80 113.55 112.24 2f9i h SER 139 Ca 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2f9i h SER 139 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2f9i h SER 139 CO 0.00 0.41 -0.07 0.58 -1.14 0.00 0.00 176.83 176.61 2f9i h VAL 140 N 0.78 0.94 -0.82 2.27 2.07 -1.96 0.16 116.25 119.69 2f9i h VAL 140 Ca 0.34 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2f9i h VAL 140 Cb 0.23 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2f9i h VAL 140 CO -0.20 0.08 0.50 0.40 0.02 0.00 0.00 177.57 178.37 2f9i h ILE 141 N -0.34 1.03 -0.44 4.57 2.04 -1.91 0.64 117.51 123.10 2f9i h ILE 141 Ca -0.02 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2f9i h ILE 141 Cb 0.27 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2f9i h ILE 141 CO 0.03 0.17 0.14 1.23 0.00 0.00 0.00 178.15 179.72 2f9i h GLY 142 N 0.92 0.73 0.98 5.37 0.00 -1.10 -0.75 103.07 109.22 2f9i h GLY 142 Ca 0.36 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 2f9i h GLY 142 CO -0.17 0.40 -0.31 -2.09 0.00 0.00 0.00 176.54 174.37 2f9i h GLU 143 N 0.57 0.71 -0.28 4.80 4.57 -0.49 -0.64 114.58 123.83 2f9i h GLU 143 Ca 0.14 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2f9i h GLU 143 Cb 0.26 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2f9i h GLU 143 CO -0.00 1.00 0.11 0.87 -1.18 0.00 0.00 179.01 179.81 2f9i h LYS 144 N 0.46 0.42 -0.34 1.92 1.57 -0.82 -0.70 116.57 119.09 2f9i h LYS 144 Ca 0.04 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2f9i h LYS 144 Cb 0.89 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2f9i h LYS 144 CO 0.08 0.44 0.17 0.82 -0.57 0.00 0.00 179.45 180.38 2f9i h ILE 145 N 0.30 0.98 -0.71 1.86 2.04 -1.12 -2.09 117.51 118.78 2f9i h ILE 145 Ca 0.09 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2f9i h ILE 145 Cb 0.18 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2f9i h ILE 145 CO -0.01 0.06 0.39 0.00 0.00 0.00 0.00 178.15 178.60 2f9i h ARG 147 N 0.70 0.75 -0.43 0.00 3.08 -0.72 0.75 114.38 118.51 2f9i h ARG 147 Ca 0.33 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2f9i h ARG 147 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2f9i h ARG 147 CO -0.21 0.80 -0.22 0.97 -1.07 0.00 0.00 179.97 180.24 2f9i h ILE 148 N 0.60 1.27 -0.31 2.04 6.09 -1.28 -0.92 117.51 125.00 2f9i h ILE 148 Ca 0.13 -1.36 -0.01 0.00 -1.37 0.00 0.00 64.86 62.25 2f9i h ILE 148 Cb 0.43 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 2f9i h ILE 148 CO 0.01 0.46 0.14 0.40 -3.07 0.00 0.00 178.15 176.10 2f9i h ILE 149 N 0.76 1.16 -0.61 2.19 2.04 -1.09 -1.07 117.51 120.90 2f9i h ILE 149 Ca 0.10 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2f9i h ILE 149 Cb 0.76 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2f9i h ILE 149 CO 0.06 0.17 0.27 0.44 0.00 0.00 0.00 178.15 179.09 2f9i h ASP 150 N 0.36 0.78 -0.56 1.72 3.32 -0.76 -0.96 116.42 120.32 2f9i h ASP 150 Ca 0.11 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2f9i h ASP 150 Cb 0.13 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2f9i h ASP 150 CO -0.01 0.68 0.33 0.22 -1.72 0.00 0.00 179.24 178.74 2f9i h TYR 151 N 0.86 0.74 -0.45 4.55 3.20 -0.78 -1.27 116.97 123.82 2f9i h TYR 151 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 2f9i h TYR 151 Cb 0.12 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2f9i h TYR 151 CO 0.01 0.51 0.05 0.00 -1.64 0.00 0.00 178.16 177.09 2f9i h THR 153 N 0.68 1.16 -0.36 0.00 2.02 -0.88 0.25 112.91 115.78 2f9i h THR 153 Ca 0.14 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2f9i h THR 153 Cb 0.35 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2f9i h THR 153 CO 0.01 0.13 0.08 1.05 0.37 0.00 0.00 175.52 177.16 2f9i h GLU 154 N -0.08 0.53 -0.60 6.66 4.11 -0.96 -2.86 114.58 121.39 2f9i h GLU 154 Ca 0.02 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2f9i h GLU 154 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2f9i h GLU 154 CO -0.00 0.50 0.00 0.09 0.07 0.00 0.00 179.01 179.67 2f9i n ASN 155 N -4.33 3.60 -3.88 3.06 4.13 -0.40 -4.98 115.26 112.46 2f9i n ASN 155 Ca 0.02 -2.01 -0.34 0.00 1.68 0.00 0.00 54.58 53.93 2f9i n ASN 155 Cb 0.19 -0.40 0.02 0.00 -1.54 0.00 0.00 39.78 38.05 2f9i n ASN 155 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2f9i n ARG 156 N 1.24 -1.36 -4.19 3.52 1.74 0.31 -4.99 116.66 112.93 2f9i n ARG 156 Ca 0.20 0.32 -0.29 0.00 -0.77 0.00 0.00 57.85 57.31 2f9i n ARG 156 Cb 0.56 -3.74 -0.09 0.00 -1.02 0.00 0.00 32.46 28.16 2f9i n ARG 156 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2f9i s LEU 157 N -6.89 3.20 0.70 0.55 1.43 0.62 -5.02 118.68 113.27 2f9i s LEU 157 Ca 0.36 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 2f9i s LEU 157 Cb -0.15 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2f9i s LEU 157 CO 0.90 0.17 1.07 -2.16 0.23 0.00 0.00 176.35 176.56 2f9i s PRO 158 N -2.34 2.81 -0.01 1.29 0.04 -1.26 -4.62 135.00 130.91 2f9i s PRO 158 Ca 0.23 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.37 2f9i s PRO 158 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 2f9i s PRO 158 CO 0.16 -1.21 -0.13 0.12 0.04 0.00 0.00 177.00 175.98 2f9i s PHE 159 N -2.90 1.14 -0.09 0.56 5.36 0.30 -0.94 117.98 121.41 2f9i s PHE 159 Ca 0.60 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 2f9i s PHE 159 Cb -0.15 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2f9i s PHE 159 CO 0.52 -0.03 -0.09 0.42 -1.46 0.00 0.00 175.22 174.59 2f9i s ILE 160 N -0.24 1.00 -0.16 3.12 1.01 -0.13 -0.87 121.20 124.93 2f9i s ILE 160 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2f9i s ILE 160 Cb -0.05 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.44 2f9i s ILE 160 CO -0.00 0.35 -0.19 -0.22 0.00 0.00 0.00 174.94 174.88 2f9i s LEU 161 N 1.33 2.24 -0.46 2.97 0.20 -0.33 -1.69 118.68 122.93 2f9i s LEU 161 Ca -0.02 -0.58 -0.17 0.00 0.69 0.00 0.00 54.13 54.04 2f9i s LEU 161 Cb -0.14 -1.50 0.05 0.00 -0.43 0.00 0.00 46.19 44.17 2f9i s LEU 161 CO -0.04 0.05 0.47 -0.36 -0.29 0.00 0.00 176.35 176.18 2f9i s PHE 162 N 1.01 3.16 0.28 5.38 0.08 0.87 0.30 117.98 129.07 2f9i s PHE 162 Ca -0.02 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.24 2f9i s PHE 162 Cb -0.15 -3.13 -0.09 0.00 -0.57 0.00 0.00 43.02 39.09 2f9i s PHE 162 CO -0.05 -0.81 0.80 -1.12 -0.10 0.00 0.00 175.22 173.93 2f9i s SER 163 N 2.26 7.08 -0.30 1.36 0.01 -0.73 -1.24 113.70 122.15 2f9i s SER 163 Ca 0.10 1.53 -0.04 0.00 1.31 0.00 0.00 55.95 58.85 2f9i s SER 163 Cb -0.20 -2.46 0.19 0.00 0.21 0.00 0.00 66.02 63.76 2f9i s SER 163 CO 0.11 -0.06 0.73 0.00 0.41 0.00 0.00 173.24 174.43 2f9i s ALA 164 N -1.66 -2.64 -0.26 1.44 0.00 -1.26 -0.88 121.76 116.49 2f9i s ALA 164 Ca 0.48 1.64 -0.12 0.00 0.00 0.00 0.00 51.96 53.96 2f9i s ALA 164 Cb -0.16 -2.32 0.10 0.00 0.00 0.00 0.00 23.12 20.74 2f9i s ALA 164 CO 0.20 -1.45 0.60 0.45 0.00 0.00 0.00 175.76 175.56 2f9i s SER 165 N 2.88 -0.87 -0.11 0.00 0.15 0.24 -4.41 113.70 111.57 2f9i s SER 165 Ca 0.15 1.39 0.14 0.00 0.70 0.00 0.00 55.95 58.33 2f9i s SER 165 Cb -0.13 1.63 0.42 0.00 -1.71 0.00 0.00 66.02 66.23 2f9i s SER 165 CO -0.19 -0.23 1.33 0.61 1.20 0.00 0.00 173.24 175.96 2f9i n GLY 166 N 4.86 3.69 0.00 9.45 0.00 0.99 -0.88 105.19 123.29 2f9i n GLY 166 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2f9i n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f9i n GLY 167 N -0.29 -1.70 3.92 -0.02 0.00 -1.26 -4.98 105.19 100.87 2f9i n GLY 167 Ca 0.17 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2f9i n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f9i s ALA 168 N -1.46 3.91 -1.27 4.61 0.00 -1.26 -4.18 121.76 122.12 2f9i s ALA 168 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2f9i s ALA 168 Cb 0.00 -1.92 0.12 0.00 0.00 0.00 0.00 23.12 21.32 2f9i s ALA 168 CO 0.00 0.64 1.66 -2.13 0.00 0.00 0.00 175.76 175.93 2f9i n ARG 169 N -0.15 3.29 0.28 0.00 3.00 -1.26 -4.81 116.66 117.01 2f9i n ARG 169 Ca -0.05 -3.51 0.18 0.00 -0.00 0.00 0.00 57.85 54.47 2f9i n ARG 169 Cb 0.52 -3.22 0.74 0.00 0.00 0.00 0.00 32.46 30.50 2f9i n ARG 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f9i h MET 170 N 7.06 0.00 0.00 -0.14 -0.00 -1.93 -2.21 114.93 117.72 2f9i h MET 170 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.09 2f9i h MET 170 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.43 2f9i h MET 170 CO 1.41 0.00 0.00 1.96 -0.00 0.00 0.00 176.91 180.28 2f9i h GLN 171 N 0.00 0.00 -0.35 -0.10 7.50 -2.01 -1.37 115.11 118.79 2f9i h GLN 171 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2f9i h GLN 171 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2f9i h GLN 171 CO 0.00 0.00 0.00 0.39 -1.50 0.00 0.00 178.83 177.72 2f9i n GLU 172 N -2.43 2.47 0.00 1.46 1.02 -0.83 -4.60 120.64 117.72 2f9i n GLU 172 Ca 0.01 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 2f9i n GLU 172 Cb 0.17 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2f9i n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f9i n GLY 173 N 0.75 2.90 0.34 0.62 0.00 -0.52 -1.01 105.19 108.27 2f9i n GLY 173 Ca 0.13 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.25 2f9i n GLY 173 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2f9i h ILE 174 N 0.00 0.64 -0.36 -0.61 6.09 -1.93 -1.29 117.51 120.06 2f9i h ILE 174 Ca 0.00 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.36 2f9i h ILE 174 Cb 0.00 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.12 2f9i h ILE 174 CO 0.00 0.00 -0.31 0.40 -3.07 0.00 0.00 178.15 175.17 2f9i h ILE 175 N 0.00 1.28 -0.30 2.19 2.04 -1.47 -1.42 117.51 119.82 2f9i h ILE 175 Ca 0.12 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 2f9i h ILE 175 Cb 0.55 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2f9i h ILE 175 CO -0.00 0.48 0.13 0.28 0.00 0.00 0.00 178.15 179.04 2f9i h SER 176 N 0.65 0.41 -0.44 1.72 0.02 -1.11 -2.86 113.55 111.94 2f9i h SER 176 Ca 0.07 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2f9i h SER 176 Cb 0.84 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 2f9i h SER 176 CO 0.07 0.45 0.09 0.25 -1.14 0.00 0.00 176.83 176.56 2f9i h LEU 177 N 0.35 0.01 -2.32 5.07 5.85 -1.33 -1.91 115.31 121.03 2f9i h LEU 177 Ca 0.10 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2f9i h LEU 177 Cb 0.16 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2f9i h LEU 177 CO -0.01 0.04 0.00 0.24 -0.34 0.00 0.00 178.44 178.37 2f9i h MET 178 N 0.23 0.00 0.00 1.25 2.86 -1.04 -2.10 114.93 116.12 2f9i h MET 178 Ca 0.22 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2f9i h MET 178 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2f9i h MET 178 CO -0.28 0.00 -0.09 1.96 1.06 0.00 0.00 176.91 179.56 2f9i h GLN 179 N 0.00 0.00 -0.49 1.72 1.08 -1.17 0.34 115.11 116.59 2f9i h GLN 179 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2f9i h GLN 179 Cb 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2f9i h GLN 179 CO 0.00 0.09 0.25 0.52 -0.95 0.00 0.00 178.83 178.74 2f9i h MET 180 N 0.00 0.70 -0.16 1.46 2.86 -1.52 -0.48 114.93 117.79 2f9i h MET 180 Ca -0.00 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 2f9i h MET 180 Cb 0.22 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2f9i h MET 180 CO 0.01 0.57 -0.34 0.78 1.06 0.00 0.00 176.91 178.99 2f9i h GLY 181 N 0.65 0.57 0.53 8.32 0.00 -1.44 -2.54 103.07 109.16 2f9i h GLY 181 Ca 0.17 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.84 2f9i h GLY 181 CO -0.02 0.61 -0.26 1.70 0.00 0.00 0.00 176.54 178.57 2f9i h LYS 182 N 0.16 -0.44 -0.47 4.80 3.64 -0.89 -1.54 116.57 121.82 2f9i h LYS 182 Ca 0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2f9i h LYS 182 Cb 0.94 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2f9i h LYS 182 CO 0.08 -0.30 0.12 1.79 -2.27 0.00 0.00 179.45 178.87 2f9i h THR 183 N -0.46 1.21 -0.63 1.00 1.35 -1.18 -3.10 112.91 111.09 2f9i h THR 183 Ca 0.03 -0.73 -0.03 0.00 -0.55 0.00 0.00 66.41 65.13 2f9i h THR 183 Cb 0.49 0.72 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 2f9i h THR 183 CO -0.16 0.27 0.26 0.28 -0.25 0.00 0.00 175.52 175.92 2f9i h SER 184 N 0.69 0.86 -0.62 5.36 0.02 -0.99 -0.70 113.55 118.17 2f9i h SER 184 Ca 0.16 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2f9i h SER 184 Cb 0.26 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2f9i h SER 184 CO -0.00 0.79 0.25 -0.37 -1.14 0.00 0.00 176.83 176.36 2f9i h VAL 185 N 0.88 1.23 -0.26 2.27 -1.51 -1.22 0.07 116.25 117.71 2f9i h VAL 185 Ca 0.21 -0.74 -0.07 0.00 -1.23 0.00 0.00 66.70 64.87 2f9i h VAL 185 Cb 0.19 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 2f9i h VAL 185 CO -0.02 0.29 -0.13 0.28 -1.23 0.00 0.00 177.57 176.77 2f9i h SER 186 N 0.94 0.56 -0.49 4.19 0.02 -1.50 -2.36 113.55 114.91 2f9i h SER 186 Ca 0.22 -0.41 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2f9i h SER 186 Cb 0.20 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2f9i h SER 186 CO -0.02 0.85 0.28 0.25 -1.14 0.00 0.00 176.83 177.05 2f9i h LEU 187 N 0.26 0.44 -0.76 5.07 5.85 -0.86 -1.36 115.31 123.96 2f9i h LEU 187 Ca 0.06 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2f9i h LEU 187 Cb 0.64 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2f9i h LEU 187 CO 0.04 0.31 -0.37 0.50 -0.34 0.00 0.00 178.44 178.58 2f9i h LYS 188 N 0.56 0.51 -0.55 1.25 1.63 -0.98 -0.36 116.57 118.63 2f9i h LYS 188 Ca 0.20 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 2f9i h LYS 188 Cb 0.04 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2f9i h LYS 188 CO -0.10 0.81 0.16 -0.09 -3.45 0.00 0.00 179.45 176.77 2f9i h ARG 189 N 0.43 0.87 -0.64 1.90 2.43 -1.17 0.10 114.38 118.30 2f9i h ARG 189 Ca 0.04 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2f9i h ARG 189 Cb 0.84 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 2f9i h ARG 189 CO 0.07 0.80 0.38 1.25 -1.51 0.00 0.00 179.97 180.96 2f9i h HIS 190 N 0.78 0.70 -0.37 2.20 2.76 -0.93 -2.18 115.15 118.11 2f9i h HIS 190 Ca 0.18 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2f9i h HIS 190 Cb 0.31 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2f9i h HIS 190 CO 0.02 0.38 0.09 1.03 -1.30 0.00 0.00 177.93 178.15 2f9i h SER 191 N 0.73 0.56 0.42 3.26 0.87 -0.58 -2.70 113.55 116.10 2f9i h SER 191 Ca 0.26 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2f9i h SER 191 Cb 0.07 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2f9i h SER 191 CO -0.13 0.65 0.00 0.44 -0.53 0.00 0.00 176.83 177.26 2f9i h ASP 192 N 0.44 0.00 0.48 6.23 3.32 -0.56 0.91 116.42 127.24 2f9i h ASP 192 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2f9i h ASP 192 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2f9i h ASP 192 CO 0.00 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2f9i n ALA 193 N -2.04 2.52 -1.23 3.45 0.00 -0.84 -4.91 120.51 117.46 2f9i n ALA 193 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2f9i n ALA 193 Cb 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2f9i n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f9i n GLY 194 N 1.24 0.71 3.74 0.00 0.00 0.31 -5.06 105.19 106.14 2f9i n GLY 194 Ca 0.16 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 2f9i n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f9i s LEU 195 N 0.00 3.58 -0.03 0.99 1.43 -1.16 -5.06 118.68 118.43 2f9i s LEU 195 Ca 0.00 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 2f9i s LEU 195 Cb 0.00 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2f9i s LEU 195 CO 0.00 0.06 0.83 -0.22 0.23 0.00 0.00 176.35 177.25 2f9i s LEU 196 N -3.17 4.35 -0.20 1.79 2.96 -1.26 -4.50 118.68 118.65 2f9i s LEU 196 Ca 0.30 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.64 2f9i s LEU 196 Cb -0.09 -3.32 0.02 0.00 0.50 0.00 0.00 46.19 43.30 2f9i s LEU 196 CO 0.22 -0.18 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.43 2f9i s TYR 197 N 0.86 2.88 -0.29 5.38 5.04 -1.26 -0.54 117.35 129.41 2f9i s TYR 197 Ca 0.44 -1.70 -0.11 0.00 -2.44 0.00 0.00 57.07 53.26 2f9i s TYR 197 Cb -0.19 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.14 2f9i s TYR 197 CO 0.23 -0.80 0.18 0.42 -1.34 0.00 0.00 175.55 174.23 2f9i s ILE 198 N 1.27 5.04 -0.27 3.14 1.01 -0.05 -0.61 121.20 130.74 2f9i s ILE 198 Ca 0.03 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2f9i s ILE 198 Cb -0.14 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2f9i s ILE 198 CO -0.11 0.18 0.44 -0.55 0.00 0.00 0.00 174.94 174.91 2f9i s SER 199 N 1.71 6.34 -0.49 3.58 0.15 -0.75 -1.19 113.70 123.05 2f9i s SER 199 Ca 0.06 0.39 -0.03 0.00 0.70 0.00 0.00 55.95 57.07 2f9i s SER 199 Cb -0.16 -2.24 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 2f9i s SER 199 CO 0.09 -0.24 0.29 -0.47 1.20 0.00 0.00 173.24 174.11 2f9i s TYR 200 N 2.19 3.52 -0.10 3.44 6.04 0.15 -0.90 117.35 131.68 2f9i s TYR 200 Ca 0.18 -2.52 -0.27 0.00 0.04 0.00 0.00 57.07 54.50 2f9i s TYR 200 Cb -0.16 -3.22 -0.02 0.00 -1.04 0.00 0.00 41.96 37.52 2f9i s TYR 200 CO 0.10 -0.92 0.90 -0.51 -1.54 0.00 0.00 175.55 173.57 2f9i s LEU 201 N 0.70 4.26 0.39 6.97 1.02 0.64 -1.76 118.68 130.89 2f9i s LEU 201 Ca 0.11 1.38 0.08 0.00 0.02 0.00 0.00 54.13 55.73 2f9i s LEU 201 Cb -0.22 -3.38 -0.07 0.00 0.02 0.00 0.00 46.19 42.54 2f9i s LEU 201 CO -0.04 -0.35 0.00 0.42 0.02 0.00 0.00 176.35 176.41 2f9i s THR 202 N 1.69 2.17 -0.05 5.49 -4.23 -0.06 -3.79 115.64 116.84 2f9i s THR 202 Ca 0.44 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 2f9i s THR 202 Cb -0.18 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 2f9i s THR 202 CO 0.18 -0.08 1.01 -2.28 -0.54 0.00 0.00 174.62 172.92 2f9i s HIS 203 N -2.65 3.56 0.25 3.99 2.46 -1.26 -2.86 115.29 118.77 2f9i s HIS 203 Ca 0.35 1.61 0.02 0.00 0.47 0.00 0.00 55.06 57.52 2f9i s HIS 203 Cb 0.06 -3.18 -0.03 0.00 -0.13 0.00 0.00 32.58 29.30 2f9i s HIS 203 CO 0.18 -0.22 0.40 -1.25 -2.47 0.00 0.00 174.74 171.39 2f9i s PRO 204 N 1.54 3.47 -0.32 2.88 0.04 -1.26 -4.88 135.00 136.47 2f9i s PRO 204 Ca 0.51 -0.56 0.01 0.00 0.04 0.00 0.00 61.00 61.00 2f9i s PRO 204 Cb -0.20 -2.84 0.10 0.00 0.04 0.00 0.00 34.50 31.60 2f9i s PRO 204 CO 0.23 0.37 0.08 0.99 0.04 0.00 0.00 177.00 178.70 2f9i s THR 205 N -2.01 1.34 0.29 1.26 2.01 -0.43 0.80 115.64 118.91 2f9i s THR 205 Ca 0.36 -1.68 0.04 0.00 0.31 0.00 0.00 61.69 60.72 2f9i s THR 205 Cb -0.10 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 2f9i s THR 205 CO 0.31 -0.62 0.04 0.42 -0.69 0.00 0.00 174.62 174.07 2f9i s THR 206 N 1.38 1.13 0.00 -0.82 -4.23 -0.06 -1.71 115.64 111.33 2f9i s THR 206 Ca 0.09 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2f9i s THR 206 Cb -0.18 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.00 2f9i s THR 206 CO -0.19 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 2f9i n GLY 207 N -0.60 1.38 0.38 3.99 0.00 -0.79 -3.24 105.19 106.31 2f9i n GLY 207 Ca -0.03 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.49 2f9i n GLY 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2f9i h GLY 208 N 0.00 0.95 0.64 -0.02 0.00 -1.89 -1.30 103.07 101.45 2f9i h GLY 208 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2f9i h GLY 208 CO 0.00 0.06 -0.04 -2.08 0.00 0.00 0.00 176.54 174.48 2f9i h VAL 209 N 0.54 1.34 -1.00 4.60 2.07 -1.92 -1.79 116.25 120.09 2f9i h VAL 209 Ca 0.42 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2f9i h VAL 209 Cb 0.84 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 2f9i h VAL 209 CO -0.17 0.30 0.64 -1.28 0.02 0.00 0.00 177.57 177.08 2f9i h SER 210 N -0.26 0.97 -0.29 0.57 0.87 -1.42 -2.00 113.55 111.99 2f9i h SER 210 Ca 0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2f9i h SER 210 Cb 0.50 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2f9i h SER 210 CO 0.01 0.56 0.00 0.00 -0.53 0.00 0.00 176.83 176.87 2f9i n ALA 211 N -2.35 2.91 -2.19 6.23 0.00 -0.53 -3.69 120.51 120.89 2f9i n ALA 211 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2f9i n ALA 211 Cb 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2f9i n ALA 211 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2f9i n SER 212 N 0.36 0.00 0.26 0.00 3.41 -0.69 -5.00 113.62 111.96 2f9i n SER 212 Ca 0.12 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.82 2f9i n SER 212 Cb 0.55 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.16 2f9i n SER 212 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2f9i h PHE 213 N 0.00 0.00 0.00 7.33 -5.15 -1.83 -2.59 116.94 114.70 2f9i h PHE 213 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 2f9i h PHE 213 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 2f9i h PHE 213 CO 0.00 0.05 -0.09 0.00 -2.00 0.00 0.00 178.31 176.26 2f9i h ALA 214 N 1.95 1.59 -0.03 12.09 0.00 -1.73 -3.11 119.26 130.03 2f9i h ALA 214 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2f9i h ALA 214 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2f9i h ALA 214 CO 0.01 0.12 -0.06 0.43 0.00 0.00 0.00 179.25 179.74 2f9i n SER 215 N -4.05 2.84 -1.27 0.00 7.64 -0.98 -4.51 113.62 113.29 2f9i n SER 215 Ca -0.02 -1.92 -0.08 0.00 1.01 0.00 0.00 58.87 57.85 2f9i n SER 215 Cb 0.18 0.06 0.12 0.00 -1.01 0.00 0.00 64.21 63.56 2f9i n SER 215 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2f9i n VAL 216 N 1.14 2.36 -1.83 0.44 0.24 -1.17 -5.04 118.33 114.47 2f9i n VAL 216 Ca 0.13 -3.70 -0.35 0.00 -2.04 0.00 0.00 64.34 58.38 2f9i n VAL 216 Cb 0.58 -0.66 0.05 0.00 -1.47 0.00 0.00 33.84 32.34 2f9i n VAL 216 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f9i s GLY 217 N -3.40 2.61 0.35 7.63 0.00 -1.26 -4.89 107.32 108.35 2f9i s GLY 217 Ca 0.44 0.96 0.05 0.00 0.00 0.00 0.00 44.72 46.18 2f9i s GLY 217 CO -0.02 1.36 1.93 -0.55 0.00 0.00 0.00 173.10 175.82 2f9i h ASP 218 N 0.50 0.72 -3.40 1.64 3.32 -1.26 -3.40 116.42 114.54 2f9i h ASP 218 Ca -0.50 0.01 -0.43 0.00 0.02 0.00 0.00 57.03 56.14 2f9i h ASP 218 Cb 1.30 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.36 2f9i h ASP 218 CO 0.54 0.44 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.09 2f9i s ILE 219 N -5.73 0.58 -0.22 0.35 1.01 -1.20 -5.07 121.20 110.93 2f9i s ILE 219 Ca -0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 2f9i s ILE 219 Cb 0.20 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 2f9i s ILE 219 CO 0.78 0.25 0.06 0.20 0.00 0.00 0.00 174.94 176.23 2f9i s ASN 220 N 1.14 5.31 0.11 3.58 0.01 -1.26 -1.81 114.94 122.01 2f9i s ASN 220 Ca -0.07 -0.09 0.10 0.00 -0.71 0.00 0.00 52.86 52.09 2f9i s ASN 220 Cb -0.14 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 2f9i s ASN 220 CO -0.01 0.06 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.62 2f9i s LEU 221 N 1.04 2.28 0.00 0.60 1.43 -0.08 -0.46 118.68 123.49 2f9i s LEU 221 Ca 0.04 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2f9i s LEU 221 Cb -0.14 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 2f9i s LEU 221 CO 0.03 0.19 0.08 -0.24 0.23 0.00 0.00 176.35 176.63 2f9i n SER 222 N 1.15 -0.21 -4.35 2.29 2.88 -0.91 -0.26 113.62 114.21 2f9i n SER 222 Ca -0.18 -1.49 -0.25 0.00 -1.33 0.00 0.00 58.87 55.63 2f9i n SER 222 Cb 0.53 0.44 -0.12 0.00 -0.75 0.00 0.00 64.21 64.31 2f9i n SER 222 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2f9i s GLU 223 N -2.28 1.32 0.14 -1.46 2.02 -1.25 -0.12 118.70 117.07 2f9i s GLU 223 Ca 0.09 -1.36 -0.35 0.00 0.02 0.00 0.00 54.97 53.37 2f9i s GLU 223 Cb 0.00 -1.57 -0.15 0.00 0.10 0.00 0.00 34.13 32.51 2f9i s GLU 223 CO 0.06 0.35 1.36 -2.30 0.02 0.00 0.00 175.26 174.75 2f9i n PRO 224 N 0.59 1.48 -0.79 0.39 -0.02 -1.26 -2.08 135.00 133.30 2f9i n PRO 224 Ca -0.15 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2f9i n PRO 224 Cb 0.55 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2f9i n PRO 224 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2f9i n LYS 225 N 2.49 -0.58 -1.77 -0.52 4.76 -1.26 -4.71 118.16 116.57 2f9i n LYS 225 Ca 0.17 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.34 2f9i n LYS 225 Cb 0.24 -4.12 -0.01 0.00 -1.84 0.00 0.00 35.03 29.30 2f9i n LYS 225 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2f9i n ALA 226 N 1.00 2.47 -2.63 7.82 0.00 -0.88 -4.60 120.51 123.69 2f9i n ALA 226 Ca 0.00 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 2f9i n ALA 226 Cb 0.15 -2.44 -0.08 0.00 0.00 0.00 0.00 19.45 17.07 2f9i n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2f9i s LEU 227 N -1.46 4.08 -0.04 0.00 1.43 -1.26 -0.22 118.68 121.21 2f9i s LEU 227 Ca 0.57 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2f9i s LEU 227 Cb -0.48 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.23 2f9i s LEU 227 CO 0.58 -0.18 -0.09 -0.63 0.23 0.00 0.00 176.35 176.26 2f9i s ILE 228 N 1.92 0.82 0.00 -0.59 1.01 0.10 -1.32 121.20 123.14 2f9i s ILE 228 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2f9i s ILE 228 Cb -0.15 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2f9i s ILE 228 CO 0.09 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2f9i n GLY 229 N 3.69 0.60 0.09 6.18 0.00 -0.70 -4.70 105.19 110.34 2f9i n GLY 229 Ca -0.22 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 2f9i n GLY 229 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2f9i h PHE 230 N 0.00 0.18 -2.40 1.61 3.57 -1.87 -2.11 116.94 115.92 2f9i h PHE 230 Ca 0.00 -0.11 -0.60 0.00 3.53 0.00 0.00 57.97 60.80 2f9i h PHE 230 Cb 0.00 -0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.60 2f9i h PHE 230 CO 0.00 0.95 -0.72 0.00 -2.23 0.00 0.00 178.31 176.32 2f9i s ALA 231 N -2.88 2.91 0.62 2.41 0.00 -1.26 -2.31 121.76 121.25 2f9i s ALA 231 Ca -0.17 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 49.99 2f9i s ALA 231 Cb -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2f9i s ALA 231 CO 0.73 0.31 0.97 0.20 0.00 0.00 0.00 175.76 177.97 2f9i s GLY 232 N -3.41 1.61 0.20 0.00 0.00 -1.26 -4.93 107.32 99.53 2f9i s GLY 232 Ca 0.29 -0.46 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 2f9i s GLY 232 CO 0.16 -0.17 1.84 -0.09 0.00 0.00 0.00 173.10 174.85 2f9i h ARG 233 N -0.30 0.78 0.28 2.90 2.43 -1.99 -2.45 114.38 116.03 2f9i h ARG 233 Ca -0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2f9i h ARG 233 Cb 1.24 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2f9i h ARG 233 CO 0.62 0.52 -0.13 -0.09 -1.51 0.00 0.00 179.97 179.37 2f9i h ARG 234 N 0.80 -0.36 -0.86 0.20 2.43 -1.99 0.40 114.38 115.00 2f9i h ARG 234 Ca 0.27 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.59 2f9i h ARG 234 Cb 0.03 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 2f9i h ARG 234 CO -0.11 -0.13 0.55 -0.24 -1.51 0.00 0.00 179.97 178.53 2f9i h VAL 235 N -0.54 0.88 -0.02 0.20 3.04 -1.95 -1.75 116.25 116.11 2f9i h VAL 235 Ca -0.04 -0.25 -0.12 0.00 -1.01 0.00 0.00 66.70 65.29 2f9i h VAL 235 Cb 0.40 0.10 0.01 0.00 -2.01 0.00 0.00 31.29 29.79 2f9i h VAL 235 CO 0.06 0.13 -0.44 0.40 -1.01 0.00 0.00 177.57 176.71 2f9i h ILE 236 N 0.72 1.45 -0.77 3.17 2.04 -1.18 -2.03 117.51 120.91 2f9i h ILE 236 Ca 0.42 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2f9i h ILE 236 Cb 0.60 2.56 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 2f9i h ILE 236 CO -0.18 0.56 0.43 -0.33 0.00 0.00 0.00 178.15 178.63 2f9i h GLU 237 N -0.21 1.07 -0.50 2.37 5.08 -0.75 -0.85 114.58 120.79 2f9i h GLU 237 Ca -0.05 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2f9i h GLU 237 Cb 1.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2f9i h GLU 237 CO 0.09 0.78 -0.20 0.37 -1.00 0.00 0.00 179.01 179.05 2f9i h GLN 238 N 1.08 1.01 -0.25 2.33 4.15 -1.37 0.18 115.11 122.24 2f9i h GLN 238 Ca 0.27 -0.42 -0.19 0.00 0.77 0.00 0.00 58.65 59.08 2f9i h GLN 238 Cb 0.02 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2f9i h GLN 238 CO -0.05 1.10 -0.59 1.15 -1.93 0.00 0.00 178.83 178.52 2f9i h THR 239 N 0.87 1.28 -0.00 2.39 2.02 -0.69 -3.27 112.91 115.51 2f9i h THR 239 Ca 0.12 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.51 2f9i h THR 239 Cb 0.78 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2f9i h THR 239 CO 0.06 0.58 -0.81 2.30 0.37 0.00 0.00 175.52 178.02 2f9i n ILE 240 N -3.99 0.00 -3.64 3.11 -5.35 -0.39 -5.00 119.36 104.11 2f9i n ILE 240 Ca -0.05 -0.07 -0.21 0.00 -0.27 0.00 0.00 62.75 62.16 2f9i n ILE 240 Cb 0.65 1.00 0.04 0.00 -1.74 0.00 0.00 39.64 39.59 2f9i n ILE 240 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2f9i n ASN 241 N -1.10 -1.54 -3.92 7.28 2.85 0.62 -5.00 115.26 114.46 2f9i n ASN 241 Ca 0.06 -0.79 -0.10 0.00 -0.11 0.00 0.00 54.58 53.65 2f9i n ASN 241 Cb 0.37 -4.26 -0.06 0.00 1.24 0.00 0.00 39.78 37.06 2f9i n ASN 241 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2f9i s GLU 242 N -5.83 1.25 -0.25 1.20 2.02 -1.14 -5.07 118.70 110.88 2f9i s GLU 242 Ca 0.02 -1.12 -0.10 0.00 0.02 0.00 0.00 54.97 53.79 2f9i s GLU 242 Cb -0.01 0.42 -0.05 0.00 0.10 0.00 0.00 34.13 34.60 2f9i s GLU 242 CO 0.80 -0.48 0.16 0.21 0.02 0.00 0.00 175.26 175.96 2f9i s LYS 243 N -3.95 3.98 0.32 1.61 2.20 -1.26 -4.61 119.74 118.03 2f9i s LYS 243 Ca 0.16 -0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 55.19 2f9i s LYS 243 Cb 0.02 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 2f9i s LYS 243 CO 0.01 -0.04 1.00 -0.51 -0.36 0.00 0.00 175.35 175.45 2f9i s LEU 244 N 1.33 4.39 0.95 5.43 1.43 -1.26 -5.02 118.68 125.94 2f9i s LEU 244 Ca 0.07 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 2f9i s LEU 244 Cb -0.15 -3.90 0.14 0.00 0.03 0.00 0.00 46.19 42.31 2f9i s LEU 244 CO 0.07 -0.15 0.98 -2.65 0.23 0.00 0.00 176.35 174.83 2f9i n PRO 245 N 0.70 -0.64 -0.37 1.29 -0.02 -1.26 -4.89 135.00 129.81 2f9i n PRO 245 Ca 0.01 -0.13 0.01 0.00 -2.02 0.00 0.00 63.50 61.37 2f9i n PRO 245 Cb 0.48 -2.25 0.15 0.00 -0.02 0.00 0.00 33.50 31.86 2f9i n PRO 245 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2f9i h ASP 246 N -1.92 1.09 -0.02 2.55 3.32 -2.08 -2.26 116.42 117.11 2f9i h ASP 246 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2f9i h ASP 246 Cb 1.28 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2f9i h ASP 246 CO 0.40 0.74 0.00 -0.90 -1.72 0.00 0.00 179.24 177.76 2f9i n ASP 247 N -4.45 0.22 -4.68 6.45 5.75 -1.26 -4.90 116.55 113.69 2f9i n ASP 247 Ca 0.14 -1.37 -0.46 0.00 -0.01 0.00 0.00 54.79 53.08 2f9i n ASP 247 Cb 0.11 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 2f9i n ASP 247 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2f9i n PHE 248 N -0.68 2.35 -0.90 2.11 7.35 -0.85 -1.83 117.46 125.01 2f9i n PHE 248 Ca 0.16 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2f9i n PHE 248 Cb 0.11 -2.64 0.00 0.00 0.35 0.00 0.00 39.48 37.30 2f9i n PHE 248 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2f9i n GLN 249 N 5.39 -0.57 -1.81 -4.13 6.02 -1.26 -4.96 117.38 116.06 2f9i n GLN 249 Ca 0.20 0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 57.01 2f9i n GLN 249 Cb 0.31 -3.75 0.04 0.00 1.02 0.00 0.00 30.24 27.85 2f9i n GLN 249 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2f9i s THR 250 N -1.94 3.64 0.30 5.09 -4.23 -0.76 0.00 115.64 117.74 2f9i s THR 250 Ca 0.00 0.71 0.05 0.00 -1.18 0.00 0.00 61.69 61.27 2f9i s THR 250 Cb 0.00 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2f9i s THR 250 CO 0.00 -0.53 1.73 0.00 -0.54 0.00 0.00 174.62 175.28 2f9i h ALA 251 N -0.03 1.55 -0.48 3.99 0.00 -0.84 -0.44 119.26 123.01 2f9i h ALA 251 Ca -0.46 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2f9i h ALA 251 Cb 1.23 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2f9i h ALA 251 CO 0.56 -0.24 0.30 0.93 0.00 0.00 0.00 179.25 180.80 2f9i h GLU 252 N 0.54 0.60 -0.12 0.00 3.07 -1.88 -0.30 114.58 116.50 2f9i h GLU 252 Ca 0.57 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.41 2f9i h GLU 252 Cb 1.03 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 2f9i h GLU 252 CO -0.47 0.40 0.01 0.35 -1.40 0.00 0.00 179.01 177.89 2f9i h PHE 253 N 0.62 0.00 -0.92 4.33 3.57 -1.38 -1.28 116.94 121.88 2f9i h PHE 253 Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2f9i h PHE 253 Cb -0.03 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2f9i h PHE 253 CO -0.05 -0.01 0.60 -0.07 -2.23 0.00 0.00 178.31 176.55 2f9i h LEU 254 N 0.05 1.00 -0.44 0.59 4.07 -0.84 -0.65 115.31 119.09 2f9i h LEU 254 Ca 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 2f9i h LEU 254 Cb 0.06 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2f9i h LEU 254 CO -0.09 0.69 0.17 0.25 -1.08 0.00 0.00 178.44 178.39 2f9i h LEU 255 N 1.16 0.61 -1.05 1.67 6.46 -0.76 -0.23 115.31 123.17 2f9i h LEU 255 Ca 0.36 -0.17 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 2f9i h LEU 255 Cb 0.01 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 39.72 2f9i h LEU 255 CO -0.11 0.62 0.64 -0.08 -0.62 0.00 0.00 178.44 178.88 2f9i h GLU 256 N 0.57 1.15 -0.68 1.25 4.81 -0.71 -1.96 114.58 119.01 2f9i h GLU 256 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2f9i h GLU 256 Cb 0.20 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2f9i h GLU 256 CO -0.01 0.76 0.00 0.72 -0.73 0.00 0.00 179.01 179.75 2f9i n HIS 257 N -4.47 0.83 -0.81 0.92 8.25 -0.30 -4.91 115.22 114.74 2f9i n HIS 257 Ca 0.14 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2f9i n HIS 257 Cb 0.14 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2f9i n HIS 257 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f9i n GLY 258 N 0.50 0.61 0.40 -1.41 0.00 -0.74 -4.93 105.19 99.62 2f9i n GLY 258 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2f9i n GLY 258 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f9i n GLN 259 N -2.78 1.01 -4.58 1.61 1.13 -0.16 -4.89 117.38 108.72 2f9i n GLN 259 Ca 0.00 -0.81 -0.22 0.00 -1.94 0.00 0.00 57.00 54.04 2f9i n GLN 259 Cb 0.00 -1.48 -0.15 0.00 0.11 0.00 0.00 30.24 28.71 2f9i n GLN 259 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2f9i s LEU 260 N -2.55 1.94 0.22 1.08 1.43 -1.25 -4.88 118.68 114.68 2f9i s LEU 260 Ca 0.18 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2f9i s LEU 260 Cb 0.18 -0.69 0.20 0.00 0.03 0.00 0.00 46.19 45.91 2f9i s LEU 260 CO 0.60 0.13 1.65 0.44 0.23 0.00 0.00 176.35 179.40 2f9i h ASP 261 N 6.05 0.81 -4.31 2.29 3.32 -1.11 -3.44 116.42 120.03 2f9i h ASP 261 Ca -0.33 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 2f9i h ASP 261 Cb 1.17 -0.22 -0.21 0.00 0.22 0.00 0.00 39.33 40.29 2f9i h ASP 261 CO 0.49 0.98 0.24 -0.75 -1.72 0.00 0.00 179.24 178.48 2f9i s LYS 262 N -4.71 0.86 -0.20 3.56 2.20 -1.15 -5.04 119.74 115.26 2f9i s LYS 262 Ca -0.10 0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 55.95 2f9i s LYS 262 Cb 0.13 0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 36.82 2f9i s LYS 262 CO 0.83 -0.20 0.24 0.08 -0.36 0.00 0.00 175.35 175.95 2f9i s VAL 263 N -0.43 5.33 -0.22 4.02 1.01 -1.26 -2.14 120.40 126.70 2f9i s VAL 263 Ca -0.04 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2f9i s VAL 263 Cb -0.03 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2f9i s VAL 263 CO 0.04 0.36 -0.14 -0.69 0.00 0.00 0.00 175.10 174.67 2f9i s VAL 264 N 0.76 1.99 0.31 2.92 1.01 0.83 -4.95 120.40 123.27 2f9i s VAL 264 Ca 0.13 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 2f9i s VAL 264 Cb -0.13 -1.99 -0.12 0.00 0.00 0.00 0.00 36.38 34.14 2f9i s VAL 264 CO 0.03 0.21 1.48 1.57 0.00 0.00 0.00 175.10 178.39 2f9i n HIS 265 N 4.56 2.66 0.15 5.22 -0.00 -1.26 -4.34 115.22 122.21 2f9i n HIS 265 Ca -0.16 0.38 0.18 0.00 -0.00 0.00 0.00 57.72 58.12 2f9i n HIS 265 Cb 0.46 -2.53 0.78 0.00 -0.00 0.00 0.00 29.99 28.70 2f9i n HIS 265 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2f9i h ARG 266 N 3.89 0.00 0.00 1.57 2.43 -1.96 0.16 114.38 120.46 2f9i h ARG 266 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2f9i h ARG 266 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2f9i h ARG 266 CO 0.72 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.27 2f9i n ASN 267 N -3.87 0.41 -0.60 -3.80 3.02 -1.26 -2.35 115.26 106.81 2f9i n ASN 267 Ca 0.04 0.59 0.08 0.00 -0.03 0.00 0.00 54.58 55.26 2f9i n ASN 267 Cb 0.44 -0.68 0.06 0.00 -0.61 0.00 0.00 39.78 38.99 2f9i n ASN 267 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2f9i n ASP 268 N -1.94 2.24 0.25 6.41 8.00 0.53 -4.72 116.55 127.31 2f9i n ASP 268 Ca 0.03 -1.62 -0.16 0.00 0.71 0.00 0.00 54.79 53.75 2f9i n ASP 268 Cb 0.23 0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.28 2f9i n ASP 268 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2f9i h MET 269 N 2.94 -0.70 -0.26 -1.24 1.85 -1.29 0.99 114.93 117.21 2f9i h MET 269 Ca 0.00 0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 2f9i h MET 269 Cb 0.63 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 2f9i h MET 269 CO 0.00 -0.47 0.16 -0.09 -0.40 0.00 0.00 176.91 176.11 2f9i h ARG 270 N -0.73 0.35 -0.74 0.39 2.43 -1.84 -0.56 114.38 113.68 2f9i h ARG 270 Ca -0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2f9i h ARG 270 Cb 0.63 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2f9i h ARG 270 CO -0.00 0.27 0.42 0.37 -1.51 0.00 0.00 179.97 179.52 2f9i h GLN 271 N 0.33 1.02 -0.14 0.20 5.75 -1.86 -1.11 115.11 119.29 2f9i h GLN 271 Ca 0.09 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2f9i h GLN 271 Cb 0.01 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 2f9i h GLN 271 CO -0.02 0.74 0.05 1.15 -2.65 0.00 0.00 178.83 178.10 2f9i h THR 272 N 1.01 1.18 -0.57 2.39 2.02 -0.43 -1.26 112.91 117.25 2f9i h THR 272 Ca 0.26 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 2f9i h THR 272 Cb 0.01 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2f9i h THR 272 CO -0.04 0.16 0.21 -0.07 0.37 0.00 0.00 175.52 176.15 2f9i h LEU 273 N 0.05 0.80 -0.42 2.58 3.38 -1.00 -2.19 115.31 118.51 2f9i h LEU 273 Ca 0.05 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2f9i h LEU 273 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2f9i h LEU 273 CO -0.00 0.77 0.19 -1.28 0.09 0.00 0.00 178.44 178.21 2f9i h SER 274 N 0.79 0.26 -0.67 -0.43 0.87 -1.04 -0.62 113.55 112.71 2f9i h SER 274 Ca 0.19 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2f9i h SER 274 Cb 0.23 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2f9i h SER 274 CO -0.01 0.19 0.38 -0.33 -0.53 0.00 0.00 176.83 176.52 2f9i h GLU 275 N 0.39 0.93 -0.54 2.24 5.08 -1.07 -1.15 114.58 120.45 2f9i h GLU 275 Ca 0.19 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2f9i h GLU 275 Cb 0.12 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2f9i h GLU 275 CO -0.15 0.69 0.07 0.82 -1.00 0.00 0.00 179.01 179.44 2f9i h ILE 276 N 0.91 1.26 -0.74 3.13 2.04 -1.21 -1.40 117.51 121.49 2f9i h ILE 276 Ca 0.24 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2f9i h ILE 276 Cb 0.02 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2f9i h ILE 276 CO -0.04 0.36 0.32 -0.07 0.00 0.00 0.00 178.15 178.72 2f9i h LEU 277 N 0.80 1.01 -0.61 1.44 3.38 -0.90 -2.14 115.31 118.29 2f9i h LEU 277 Ca 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2f9i h LEU 277 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2f9i h LEU 277 CO 0.01 0.89 0.24 0.50 0.09 0.00 0.00 178.44 180.17 2f9i h LYS 278 N 1.06 0.91 -0.63 1.13 3.64 -1.03 -0.75 116.57 120.91 2f9i h LYS 278 Ca 0.25 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2f9i h LYS 278 Cb 0.18 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2f9i h LYS 278 CO -0.02 0.78 0.31 0.82 -2.27 0.00 0.00 179.45 179.06 2f9i h ILE 279 N 0.85 1.20 -0.11 2.00 2.04 -0.89 -2.78 117.51 119.82 2f9i h ILE 279 Ca 0.20 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2f9i h ILE 279 Cb 0.21 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2f9i h ILE 279 CO -0.02 0.24 0.00 1.41 0.00 0.00 0.00 178.15 179.78 2f9i n HIS 280 N -4.35 0.11 -1.92 1.37 8.25 -0.84 -4.96 115.22 112.89 2f9i n HIS 280 Ca 0.06 -0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2f9i n HIS 280 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2f9i n HIS 280 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2f9i s GLN 281 N -1.89 4.20 0.00 -0.41 0.74 -0.30 -4.92 119.66 117.08 2f9i s GLN 281 Ca 0.33 2.36 -0.30 0.00 0.05 0.00 0.00 55.36 57.80 2f9i s GLN 281 Cb 0.20 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 2f9i s GLN 281 CO 0.31 -0.69 1.15 -1.21 -0.55 0.00 0.00 175.29 174.30 2f9i s GLU 282 N 2.04 4.43 -0.20 1.67 2.02 -1.26 -4.91 118.70 122.48 2f9i s GLU 282 Ca 0.73 1.66 -0.34 0.00 0.02 0.00 0.00 54.97 57.03 2f9i s GLU 282 Cb -0.42 -3.45 -0.11 0.00 0.10 0.00 0.00 34.13 30.25 2f9i s GLU 282 CO 0.32 -0.29 2.00 0.28 0.02 0.00 0.00 175.26 177.59 2f9i n VAL 283 N 4.19 0.41 -3.92 2.63 0.31 -1.26 -4.89 118.33 115.81 2f9i n VAL 283 Ca 0.09 -0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 2f9i n VAL 283 Cb 0.47 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 2f9i n VAL 283 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2f9i n THR 284 N 6.04 0.00 -0.75 2.52 -1.04 -1.26 -5.32 114.28 114.47 2f9i n THR 284 Ca 0.29 -1.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 2f9i n THR 284 Cb 0.28 0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 2f9i n THR 284 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72