#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kre s LYS 6 N 0.00 4.62 -0.22 5.31 1.02 -1.26 -0.28 119.74 128.93 3kre s LYS 6 Ca 0.00 1.40 0.13 0.00 0.02 0.00 0.00 55.97 57.52 3kre s LYS 6 Cb 0.00 -3.41 -0.22 0.00 -0.52 0.00 0.00 37.83 33.67 3kre s LYS 6 CO 0.00 0.10 -0.03 -0.89 -0.92 0.00 0.00 175.35 173.61 3kre n ILE 7 N 3.30 1.41 -3.60 2.17 5.41 0.18 -4.88 119.36 123.36 3kre n ILE 7 Ca 0.04 -0.76 -0.16 0.00 1.00 0.00 0.00 62.75 62.87 3kre n ILE 7 Cb 0.50 -0.77 -0.07 0.00 -0.71 0.00 0.00 39.64 38.59 3kre n ILE 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3kre s TYR 8 N -2.50 -0.62 -0.04 1.39 5.04 -1.16 -5.00 117.35 114.46 3kre s TYR 8 Ca -0.18 1.26 -0.01 0.00 -2.44 0.00 0.00 57.07 55.69 3kre s TYR 8 Cb 0.07 0.31 0.03 0.00 0.35 0.00 0.00 41.96 42.71 3kre s TYR 8 CO 0.75 -0.48 0.03 -2.00 -1.34 0.00 0.00 175.55 172.51 3kre s GLU 9 N -0.62 0.16 0.00 4.97 2.12 -1.26 -0.45 118.70 123.62 3kre s GLU 9 Ca -0.07 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.50 3kre s GLU 9 Cb -0.02 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.77 3kre s GLU 9 CO 0.06 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 3kre n GLY 10 N 4.97 3.55 0.15 -1.50 0.00 -0.43 -5.02 105.19 106.92 3kre n GLY 10 Ca -0.10 -2.01 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 3kre n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kre h LYS 11 N 0.00 0.14 0.00 1.61 1.57 -2.01 -3.37 116.57 114.52 3kre h LYS 11 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3kre h LYS 11 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3kre h LYS 11 CO 0.00 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.60 3kre n ALA 12 N -2.45 1.37 -2.40 3.86 0.00 -1.26 -4.70 120.51 114.93 3kre n ALA 12 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 3kre n ALA 12 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 3kre n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kre s LYS 13 N -0.58 0.60 -0.05 0.00 1.02 -1.26 -0.81 119.74 118.67 3kre s LYS 13 Ca 0.00 -1.06 0.06 0.00 0.02 0.00 0.00 55.97 54.98 3kre s LYS 13 Cb 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 3kre s LYS 13 CO 0.00 -0.05 -0.23 0.42 -0.92 0.00 0.00 175.35 174.57 3kre s ILE 14 N -2.97 1.90 -0.25 2.17 1.01 0.16 -1.31 121.20 121.91 3kre s ILE 14 Ca 0.01 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 3kre s ILE 14 Cb 0.01 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3kre s ILE 14 CO -0.05 0.53 0.16 -0.63 0.00 0.00 0.00 174.94 174.95 3kre s ILE 15 N -0.16 5.22 -0.01 2.92 -1.09 0.40 -0.57 121.20 127.90 3kre s ILE 15 Ca -0.02 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 3kre s ILE 15 Cb -0.13 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3kre s ILE 15 CO 0.03 0.32 0.03 -0.36 -1.23 0.00 0.00 174.94 173.72 3kre s PHE 16 N 1.33 3.15 0.81 3.97 0.08 0.13 -0.64 117.98 126.81 3kre s PHE 16 Ca 0.07 0.14 -0.10 0.00 0.12 0.00 0.00 56.93 57.15 3kre s PHE 16 Cb -0.15 -1.71 0.08 0.00 -0.57 0.00 0.00 43.02 40.68 3kre s PHE 16 CO 0.07 0.49 1.10 0.00 -0.10 0.00 0.00 175.22 176.78 3kre s ALA 17 N -1.09 2.05 0.41 5.36 0.00 0.61 -0.75 121.76 128.35 3kre s ALA 17 Ca 0.20 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.53 3kre s ALA 17 Cb -0.12 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3kre s ALA 17 CO 0.10 -2.03 0.07 0.95 0.00 0.00 0.00 175.76 174.85 3kre s THR 18 N -2.84 1.03 0.43 0.00 -4.23 -1.24 -4.70 115.64 104.09 3kre s THR 18 Ca 0.63 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.48 3kre s THR 18 Cb -0.19 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.55 3kre s THR 18 CO 0.57 0.00 2.16 -0.07 -0.54 0.00 0.00 174.62 176.73 3kre h LEU 19 N 1.75 0.00 -8.82 4.79 3.38 -1.98 -3.39 115.31 111.04 3kre h LEU 19 Ca -0.40 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.97 3kre h LEU 19 Cb 1.27 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.92 3kre h LEU 19 CO 0.67 0.05 0.49 0.21 0.09 0.00 0.00 178.44 179.95 3kre s ASN 20 N -5.76 6.62 0.38 -0.43 3.84 -1.26 -4.95 114.94 113.38 3kre s ASN 20 Ca -0.03 0.48 0.26 0.00 0.21 0.00 0.00 52.86 53.78 3kre s ASN 20 Cb 0.12 -2.43 1.37 0.00 -0.55 0.00 0.00 41.25 39.76 3kre s ASN 20 CO 0.52 -0.79 1.81 1.55 -2.79 0.00 0.00 177.10 177.40 3kre h PRO 21 N 8.47 0.00 -0.18 0.43 0.13 -2.03 -2.00 132.00 136.82 3kre h PRO 21 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3kre h PRO 21 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3kre h PRO 21 CO 0.95 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.00 3kre n LEU 22 N -2.43 2.83 -4.17 1.56 4.77 -1.26 -4.87 117.00 113.42 3kre n LEU 22 Ca -0.01 -1.27 -0.26 0.00 -0.03 0.00 0.00 56.01 54.43 3kre n LEU 22 Cb 0.08 -0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 40.91 3kre n LEU 22 CO 0.14 0.57 -0.51 -1.61 -1.33 0.00 0.00 177.39 174.64 3kre s GLU 23 N -1.40 1.70 0.21 3.23 2.02 -0.75 -0.97 118.70 122.74 3kre s GLU 23 Ca 0.26 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.64 3kre s GLU 23 Cb 0.17 -1.56 -0.05 0.00 0.10 0.00 0.00 34.13 32.79 3kre s GLU 23 CO 0.24 0.34 -0.06 0.14 0.02 0.00 0.00 175.26 175.94 3kre s VAL 24 N -0.23 1.27 -0.22 2.63 -7.23 0.13 -3.63 120.40 113.12 3kre s VAL 24 Ca 0.02 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 3kre s VAL 24 Cb -0.09 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3kre s VAL 24 CO 0.01 -0.48 0.09 -0.63 -0.31 0.00 0.00 175.10 173.77 3kre s ILE 25 N -3.27 4.73 -0.34 -0.62 1.01 0.07 -0.86 121.20 121.93 3kre s ILE 25 Ca 0.24 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.68 3kre s ILE 25 Cb 0.04 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 3kre s ILE 25 CO 0.07 0.39 0.46 -1.58 0.00 0.00 0.00 174.94 174.27 3kre s GLN 26 N 0.96 3.66 -0.20 2.79 0.74 0.29 -0.69 119.66 127.21 3kre s GLN 26 Ca 0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.23 3kre s GLN 26 Cb -0.14 -3.78 -0.01 0.00 1.10 0.00 0.00 33.01 30.18 3kre s GLN 26 CO 0.03 -0.56 -0.07 -1.58 -0.55 0.00 0.00 175.29 172.56 3kre s HIS 27 N 2.25 2.93 -0.28 1.67 5.65 0.26 -1.51 115.29 126.25 3kre s HIS 27 Ca 0.16 -0.93 -0.21 0.00 0.25 0.00 0.00 55.06 54.34 3kre s HIS 27 Cb -0.16 -2.05 -0.01 0.00 -1.18 0.00 0.00 32.58 29.18 3kre s HIS 27 CO 0.12 -0.50 0.67 -0.06 -0.65 0.00 0.00 174.74 174.32 3kre s PHE 28 N 1.26 3.24 0.79 3.88 0.08 0.50 -0.66 117.98 127.08 3kre s PHE 28 Ca 0.03 0.75 -0.10 0.00 0.12 0.00 0.00 56.93 57.73 3kre s PHE 28 Cb -0.14 -2.98 0.10 0.00 -0.57 0.00 0.00 43.02 39.43 3kre s PHE 28 CO -0.03 -0.43 1.13 0.15 -0.10 0.00 0.00 175.22 175.94 3kre s LYS 29 N 2.65 1.76 0.00 0.44 1.02 0.01 -4.59 119.74 121.03 3kre s LYS 29 Ca 0.28 -0.24 0.23 0.00 0.02 0.00 0.00 55.97 56.25 3kre s LYS 29 Cb -0.15 -2.05 0.48 0.00 -0.52 0.00 0.00 37.83 35.59 3kre s LYS 29 CO 0.10 -1.61 1.44 -0.25 -0.92 0.00 0.00 175.35 174.11 3kre n ASP 30 N -3.21 3.60 -4.77 2.83 8.00 -1.26 -2.90 116.55 118.84 3kre n ASP 30 Ca 0.10 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.20 3kre n ASP 30 Cb 0.60 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 3kre n ASP 30 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kre s GLU 31 N -1.39 4.32 0.02 -1.24 2.02 -1.26 -0.83 118.70 120.34 3kre s GLU 31 Ca 0.41 2.07 0.04 0.00 0.02 0.00 0.00 54.97 57.51 3kre s GLU 31 Cb 0.24 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3kre s GLU 31 CO 0.32 -0.16 -0.11 -1.50 0.02 0.00 0.00 175.26 173.83 3kre s ILE 32 N -1.20 0.87 0.05 -1.63 2.07 -0.05 -4.67 121.20 116.63 3kre s ILE 32 Ca 0.50 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 3kre s ILE 32 Cb -0.37 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.42 3kre s ILE 32 CO 0.48 0.05 -0.06 0.42 -1.91 0.00 0.00 174.94 173.92 3kre s THR 33 N -0.62 0.43 0.10 4.00 -4.23 -1.26 -1.49 115.64 112.57 3kre s THR 33 Ca 0.01 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3kre s THR 33 Cb -0.06 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 3kre s THR 33 CO 0.00 -0.61 0.11 0.00 -0.54 0.00 0.00 174.62 173.58 3kre s ALA 34 N -2.30 0.34 -1.10 3.99 0.00 -0.32 -4.91 121.76 117.47 3kre s ALA 34 Ca -0.04 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 3kre s ALA 34 Cb -0.04 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3kre s ALA 34 CO -0.03 -0.49 0.91 1.19 0.00 0.00 0.00 175.76 177.35 3kre n PHE 35 N -0.05 -2.33 -4.02 0.00 3.72 -1.26 -1.92 117.46 111.60 3kre n PHE 35 Ca -0.10 0.84 -0.31 0.00 -0.05 0.00 0.00 57.45 57.83 3kre n PHE 35 Cb 0.62 -4.29 -0.00 0.00 -0.94 0.00 0.00 39.48 34.87 3kre n PHE 35 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3kre n ASN 36 N -3.15 -2.87 -1.38 4.37 3.02 -1.26 -1.29 115.26 112.71 3kre n ASN 36 Ca -0.13 -0.92 -0.14 0.00 -0.03 0.00 0.00 54.58 53.35 3kre n ASN 36 Cb 0.63 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 3kre n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kre n ASN 37 N -2.82 -4.59 0.25 6.41 4.13 -0.81 -4.89 115.26 112.94 3kre n ASN 37 Ca -0.06 0.17 0.14 0.00 1.68 0.00 0.00 54.58 56.51 3kre n ASN 37 Cb 0.56 -3.55 0.50 0.00 -1.54 0.00 0.00 39.78 35.75 3kre n ASN 37 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3kre h LYS 38 N 0.00 0.00 -4.01 3.52 1.57 -0.58 -3.44 116.57 113.63 3kre h LYS 38 Ca -0.32 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.02 3kre h LYS 38 Cb 1.10 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.06 3kre h LYS 38 CO 0.42 0.09 -0.78 0.21 -0.57 0.00 0.00 179.45 178.82 3kre s LYS 39 N -3.55 0.91 0.01 3.15 2.20 -1.02 -5.03 119.74 116.42 3kre s LYS 39 Ca 0.02 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.49 3kre s LYS 39 Cb 0.09 -0.98 -0.01 0.00 -1.51 0.00 0.00 37.83 35.42 3kre s LYS 39 CO 0.60 -0.14 0.07 0.00 -0.36 0.00 0.00 175.35 175.52 3kre s ALA 40 N 1.20 -0.11 0.17 3.13 0.00 -1.26 -1.17 121.76 123.71 3kre s ALA 40 Ca -0.06 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 3kre s ALA 40 Cb -0.14 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3kre s ALA 40 CO -0.02 -0.20 0.54 0.00 0.00 0.00 0.00 175.76 176.08 3kre s ALA 41 N -1.58 -1.21 -0.25 0.00 0.00 -0.56 -5.01 121.76 113.16 3kre s ALA 41 Ca -0.14 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 3kre s ALA 41 Cb -0.08 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3kre s ALA 41 CO -0.00 -0.77 0.13 0.42 0.00 0.00 0.00 175.76 175.53 3kre s ILE 42 N -3.81 4.92 -0.46 0.00 -1.09 -1.26 -0.87 121.20 118.63 3kre s ILE 42 Ca 0.05 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.47 3kre s ILE 42 Cb -0.01 -3.31 0.12 0.00 -1.58 0.00 0.00 42.46 37.69 3kre s ILE 42 CO -0.08 0.33 0.26 -0.63 -1.23 0.00 0.00 174.94 173.59 3kre s ILE 43 N 1.39 3.42 0.22 2.92 -1.09 -0.01 -5.00 121.20 123.05 3kre s ILE 43 Ca 0.06 -2.24 -0.32 0.00 -2.23 0.00 0.00 60.65 55.92 3kre s ILE 43 Cb -0.15 -3.32 -0.13 0.00 -1.58 0.00 0.00 42.46 37.28 3kre s ILE 43 CO 0.06 -0.74 1.48 1.57 -1.23 0.00 0.00 174.94 176.08 3kre n HIS 44 N 4.37 2.26 -0.25 3.97 -0.00 -1.26 -1.40 115.22 122.90 3kre n HIS 44 Ca -0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 3kre n HIS 44 Cb 0.40 -2.50 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 3kre n HIS 44 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3kre n GLU 45 N 2.46 0.00 -0.36 1.57 2.13 -1.26 -4.91 120.64 120.27 3kre n GLU 45 Ca 0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.94 3kre n GLU 45 Cb 0.31 -1.69 0.13 0.00 0.27 0.00 0.00 31.44 30.46 3kre n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3kre h LYS 46 N 2.34 1.27 -0.36 5.31 3.64 -1.54 -1.69 116.57 125.55 3kre h LYS 46 Ca 0.00 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3kre h LYS 46 Cb 0.00 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3kre h LYS 46 CO 0.00 0.84 -0.17 0.78 -2.27 0.00 0.00 179.45 178.63 3kre h GLY 47 N 1.31 0.71 0.89 5.01 0.00 -1.76 -0.52 103.07 108.71 3kre h GLY 47 Ca 0.36 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3kre h GLY 47 CO -0.08 0.51 0.04 -2.22 0.00 0.00 0.00 176.54 174.78 3kre h ILE 48 N 0.59 1.11 -0.65 2.60 2.04 -1.57 0.07 117.51 121.71 3kre h ILE 48 Ca 0.09 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3kre h ILE 48 Cb 0.63 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3kre h ILE 48 CO 0.04 0.10 0.14 -0.07 0.00 0.00 0.00 178.15 178.36 3kre h LEU 49 N 0.01 0.97 -0.70 1.44 3.38 -1.14 -1.68 115.31 117.59 3kre h LEU 49 Ca 0.03 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3kre h LEU 49 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3kre h LEU 49 CO -0.00 0.95 0.08 0.78 0.09 0.00 0.00 178.44 180.34 3kre h ASN 50 N 0.98 1.04 0.08 -0.43 -0.26 -0.99 0.12 115.58 116.12 3kre h ASN 50 Ca 0.20 -0.26 0.01 0.00 -0.56 0.00 0.00 56.30 55.70 3kre h ASN 50 Cb 0.37 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3kre h ASN 50 CO 0.00 1.04 -0.13 -1.13 -1.06 0.00 0.00 177.43 176.16 3kre h ASN 51 N 1.01 -0.36 -0.37 5.81 -1.24 -0.72 0.22 115.58 119.93 3kre h ASN 51 Ca 0.19 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 3kre h ASN 51 Cb 0.46 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3kre h ASN 51 CO 0.02 -0.19 0.16 1.88 -1.29 0.00 0.00 177.43 178.01 3kre h TYR 52 N -0.26 0.55 -0.29 0.67 0.05 -1.07 -1.16 116.97 115.46 3kre h TYR 52 Ca 0.02 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3kre h TYR 52 Cb 0.27 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3kre h TYR 52 CO -0.15 0.48 0.09 0.82 -1.05 0.00 0.00 178.16 178.35 3kre h ILE 53 N 0.46 1.20 -0.16 -2.88 2.04 -0.65 -1.53 117.51 115.99 3kre h ILE 53 Ca 0.13 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3kre h ILE 53 Cb 0.15 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3kre h ILE 53 CO -0.01 0.22 0.03 -1.28 0.00 0.00 0.00 178.15 177.11 3kre h SER 54 N 0.31 0.25 -0.50 1.72 0.87 -0.49 -0.04 113.55 115.67 3kre h SER 54 Ca 0.09 -0.25 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 3kre h SER 54 Cb 0.25 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 3kre h SER 54 CO -0.00 0.44 -0.06 -1.28 -0.53 0.00 0.00 176.83 175.39 3kre h SER 55 N 0.05 -0.34 0.22 6.23 0.87 -1.23 0.33 113.55 119.67 3kre h SER 55 Ca 0.05 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3kre h SER 55 Cb 0.29 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3kre h SER 55 CO 0.00 -0.12 -0.15 0.15 -0.53 0.00 0.00 176.83 176.18 3kre h PHE 56 N 0.05 -0.39 -0.33 2.24 3.57 -0.99 -2.00 116.94 119.10 3kre h PHE 56 Ca 0.25 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3kre h PHE 56 Cb 0.38 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3kre h PHE 56 CO -0.37 -0.23 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.16 3kre h LEU 57 N -0.36 0.65 -0.29 0.59 3.38 -0.72 -1.72 115.31 116.84 3kre h LEU 57 Ca -0.02 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3kre h LEU 57 Cb 0.31 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3kre h LEU 57 CO 0.01 0.88 0.07 0.24 0.09 0.00 0.00 178.44 179.73 3kre h MET 58 N 0.56 0.18 -0.83 1.13 2.86 -0.26 -0.56 114.93 118.01 3kre h MET 58 Ca 0.08 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3kre h MET 58 Cb 0.72 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3kre h MET 58 CO 0.06 0.12 0.38 -0.22 1.06 0.00 0.00 176.91 178.30 3kre h LYS 59 N 0.18 1.21 -0.90 1.72 1.63 -1.19 0.28 116.57 119.52 3kre h LYS 59 Ca 0.13 -0.19 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 3kre h LYS 59 Cb 0.13 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 3kre h LYS 59 CO -0.16 0.95 0.59 0.87 -3.45 0.00 0.00 179.45 178.24 3kre h LYS 60 N 1.20 1.06 -0.16 1.90 1.79 -0.90 -0.56 116.57 120.89 3kre h LYS 60 Ca 0.28 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.52 3kre h LYS 60 Cb 0.15 -0.24 0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3kre h LYS 60 CO -0.03 0.70 -0.56 -0.07 -1.08 0.00 0.00 179.45 178.41 3kre h LEU 61 N 1.09 0.76 -0.86 2.94 3.38 -0.33 -3.08 115.31 119.21 3kre h LEU 61 Ca 0.36 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3kre h LEU 61 Cb 0.07 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 3kre h LEU 61 CO -0.12 1.24 0.51 0.40 0.09 0.00 0.00 178.44 180.57 3kre h ILE 62 N 0.33 0.96 -0.14 1.22 2.04 -0.22 -1.53 117.51 120.17 3kre h ILE 62 Ca -0.03 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3kre h ILE 62 Cb 1.19 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3kre h ILE 62 CO 0.12 0.16 0.13 0.44 0.00 0.00 0.00 178.15 179.00 3kre h ASP 63 N 0.89 0.00 -0.66 1.72 3.32 -1.02 -0.37 116.42 120.30 3kre h ASP 63 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3kre h ASP 63 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kre h ASP 63 CO -0.22 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.59 3kre n LYS 64 N -4.07 2.71 -0.38 3.56 4.76 -0.65 -4.95 118.16 119.15 3kre n LYS 64 Ca 0.00 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.00 3kre n LYS 64 Cb 0.25 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3kre n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kre n GLY 65 N 1.49 0.81 3.71 0.72 0.00 -0.15 -5.06 105.19 106.72 3kre n GLY 65 Ca 0.23 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kre n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kre s ILE 66 N -2.00 4.48 0.05 -0.61 -1.09 -0.76 -4.99 121.20 116.29 3kre s ILE 66 Ca 0.00 1.83 -0.30 0.00 -2.23 0.00 0.00 60.65 59.95 3kre s ILE 66 Cb 0.00 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3kre s ILE 66 CO 0.00 0.17 0.96 -0.54 -1.23 0.00 0.00 174.94 174.30 3kre s LYS 67 N 0.84 4.61 0.19 2.79 1.02 -1.26 -3.88 119.74 124.06 3kre s LYS 67 Ca 0.54 1.41 -0.01 0.00 0.02 0.00 0.00 55.97 57.93 3kre s LYS 67 Cb -0.25 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 3kre s LYS 67 CO 0.29 0.07 0.11 0.95 -0.92 0.00 0.00 175.35 175.85 3kre s THR 68 N 0.55 0.09 -1.94 2.17 -4.23 -1.26 -0.91 115.64 110.11 3kre s THR 68 Ca 0.49 -1.98 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 3kre s THR 68 Cb -0.22 -2.39 0.75 0.00 1.34 0.00 0.00 72.50 71.98 3kre s THR 68 CO 0.28 -0.13 2.09 0.00 -0.54 0.00 0.00 174.62 176.33 3kre n HIS 69 N -0.24 0.00 -2.52 3.99 1.44 0.70 -4.76 115.22 113.83 3kre n HIS 69 Ca -0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3kre n HIS 69 Cb 0.65 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 3kre n HIS 69 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 3kre s PHE 70 N -2.14 3.42 -0.12 -1.40 5.36 -1.26 -0.48 117.98 121.36 3kre s PHE 70 Ca 0.41 1.38 -0.11 0.00 -0.96 0.00 0.00 56.93 57.66 3kre s PHE 70 Cb 0.21 -3.34 -0.05 0.00 -0.34 0.00 0.00 43.02 39.50 3kre s PHE 70 CO 0.39 -0.93 -0.23 -0.89 -1.46 0.00 0.00 175.22 172.10 3kre n ILE 71 N 4.16 1.26 -3.52 3.12 5.41 0.20 -4.88 119.36 125.12 3kre n ILE 71 Ca 0.09 0.05 -0.17 0.00 1.00 0.00 0.00 62.75 63.72 3kre n ILE 71 Cb 0.47 -1.96 -0.06 0.00 -0.71 0.00 0.00 39.64 37.39 3kre n ILE 71 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3kre s SER 72 N -6.20 -0.64 -0.10 4.38 1.04 -0.85 -4.99 113.70 106.33 3kre s SER 72 Ca -0.21 0.64 -0.28 0.00 0.48 0.00 0.00 55.95 56.57 3kre s SER 72 Cb 0.05 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 3kre s SER 72 CO 0.29 -0.64 0.94 -0.22 0.98 0.00 0.00 173.24 174.59 3kre s LEU 73 N -1.34 4.25 -0.24 2.42 2.96 -1.26 -0.07 118.68 125.40 3kre s LEU 73 Ca -0.10 1.44 -0.09 0.00 -0.22 0.00 0.00 54.13 55.16 3kre s LEU 73 Cb -0.00 -3.45 -0.17 0.00 0.50 0.00 0.00 46.19 43.07 3kre s LEU 73 CO 0.08 -0.39 -0.13 0.18 -1.32 0.00 0.00 176.35 174.77 3kre n LEU 74 N 4.83 2.38 0.00 -0.68 4.77 -0.57 -4.91 117.00 122.82 3kre n LEU 74 Ca 0.07 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 3kre n LEU 74 Cb 0.49 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3kre n LEU 74 CO 0.51 0.69 0.06 -0.46 -1.33 0.00 0.00 177.39 176.86 3kre n ASN 75 N -3.84 -0.18 0.08 -1.43 0.23 -1.06 -5.00 115.26 104.07 3kre n ASN 75 Ca -0.45 -1.11 0.12 0.00 -0.53 0.00 0.00 54.58 52.61 3kre n ASN 75 Cb 0.91 0.30 0.60 0.00 -2.08 0.00 0.00 39.78 39.51 3kre n ASN 75 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3kre h GLN 76 N 0.00 0.15 -0.00 -3.83 3.07 -1.99 -3.01 115.11 109.50 3kre h GLN 76 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.70 3kre h GLN 76 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.64 3kre h GLN 76 CO 0.04 0.10 -0.27 0.54 0.09 0.00 0.00 178.83 179.32 3kre n ARG 77 N -4.47 3.94 -4.29 0.06 1.74 -1.26 -4.30 116.66 108.09 3kre n ARG 77 Ca 0.04 -0.16 -0.18 0.00 -0.77 0.00 0.00 57.85 56.78 3kre n ARG 77 Cb 0.31 -0.88 -0.13 0.00 -1.02 0.00 0.00 32.46 30.73 3kre n ARG 77 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kre s GLU 78 N -1.49 0.80 0.05 5.56 2.02 -1.14 -0.37 118.70 124.13 3kre s GLU 78 Ca 0.04 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.39 3kre s GLU 78 Cb 0.05 -0.76 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 3kre s GLU 78 CO 0.25 0.19 -0.09 1.14 0.02 0.00 0.00 175.26 176.77 3kre s GLN 79 N -1.02 0.61 -0.10 1.61 -2.07 -0.57 -1.51 119.66 116.60 3kre s GLN 79 Ca -0.00 -0.82 -0.22 0.00 -1.82 0.00 0.00 55.36 52.49 3kre s GLN 79 Cb -0.07 -0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 31.40 3kre s GLN 79 CO 0.01 0.08 0.66 -1.17 -1.32 0.00 0.00 175.29 173.55 3kre s LEU 80 N -1.67 4.28 0.08 2.60 2.96 0.90 -0.54 118.68 127.29 3kre s LEU 80 Ca -0.07 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3kre s LEU 80 Cb -0.10 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 3kre s LEU 80 CO 0.01 -0.13 -0.05 0.68 -1.32 0.00 0.00 176.35 175.53 3kre s VAL 81 N 1.00 0.51 0.35 1.68 -7.23 -0.04 -0.62 120.40 116.04 3kre s VAL 81 Ca 0.34 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.34 3kre s VAL 81 Cb -0.17 -1.64 -0.11 0.00 0.56 0.00 0.00 36.38 35.03 3kre s VAL 81 CO 0.15 -0.91 1.38 -0.54 -0.31 0.00 0.00 175.10 174.88 3kre s LYS 82 N -3.87 4.26 -0.35 4.82 1.02 0.37 -0.69 119.74 125.30 3kre s LYS 82 Ca 0.10 2.35 -0.28 0.00 0.02 0.00 0.00 55.97 58.17 3kre s LYS 82 Cb 0.06 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3kre s LYS 82 CO -0.06 -0.33 1.04 0.21 -0.92 0.00 0.00 175.35 175.29 3kre s LYS 83 N -1.87 3.98 0.15 1.68 2.20 -0.14 -4.71 119.74 121.03 3kre s LYS 83 Ca 0.51 0.90 0.03 0.00 -0.36 0.00 0.00 55.97 57.04 3kre s LYS 83 Cb -0.42 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.08 3kre s LYS 83 CO 0.57 -0.96 -0.05 0.96 -0.36 0.00 0.00 175.35 175.51 3kre s ILE 84 N 3.68 0.86 -0.22 5.43 -4.36 -1.26 -4.40 121.20 120.94 3kre s ILE 84 Ca 0.44 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.63 3kre s ILE 84 Cb -0.12 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 3kre s ILE 84 CO 0.18 -0.64 0.60 -0.89 0.24 0.00 0.00 174.94 174.43 3kre s THR 85 N -3.53 5.03 0.03 8.37 2.01 -0.22 -4.87 115.64 122.46 3kre s THR 85 Ca 0.19 1.11 -0.28 0.00 0.31 0.00 0.00 61.69 63.02 3kre s THR 85 Cb 0.05 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3kre s THR 85 CO 0.01 0.09 0.87 -0.63 -0.69 0.00 0.00 174.62 174.28 3kre s ILE 86 N 2.08 4.75 0.13 1.82 -1.09 -1.26 -0.82 121.20 126.82 3kre s ILE 86 Ca 0.26 1.85 -0.30 0.00 -2.23 0.00 0.00 60.65 60.24 3kre s ILE 86 Cb -0.16 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.43 3kre s ILE 86 CO 0.09 0.28 1.17 -0.63 -1.23 0.00 0.00 174.94 174.62 3kre s ILE 87 N 0.39 3.84 -0.24 2.92 1.01 -0.19 -4.92 121.20 124.01 3kre s ILE 87 Ca 0.45 1.46 -0.04 0.00 0.00 0.00 0.00 60.65 62.52 3kre s ILE 87 Cb -0.21 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 3kre s ILE 87 CO 0.26 0.19 3.02 -0.81 0.00 0.00 0.00 174.94 177.60 3kre n PRO 88 N 3.01 2.13 -4.46 2.79 -0.04 -1.26 -4.65 135.00 132.52 3kre n PRO 88 Ca 0.06 -1.64 -0.22 0.00 -0.04 0.00 0.00 63.50 61.66 3kre n PRO 88 Cb 0.46 -1.99 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 3kre n PRO 88 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3kre s ILE 89 N -0.84 1.28 -0.20 0.52 -4.36 -1.26 -1.12 121.20 115.22 3kre s ILE 89 Ca 0.57 -1.03 -0.08 0.00 -0.26 0.00 0.00 60.65 59.85 3kre s ILE 89 Cb 0.33 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.86 3kre s ILE 89 CO -0.11 0.09 0.08 -1.61 0.24 0.00 0.00 174.94 173.64 3kre s GLU 90 N -1.09 3.95 -0.27 0.37 2.02 0.35 -4.55 118.70 119.48 3kre s GLU 90 Ca 0.04 -0.35 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 3kre s GLU 90 Cb -0.08 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 3kre s GLU 90 CO 0.01 0.17 0.16 0.08 0.02 0.00 0.00 175.26 175.71 3kre s VAL 91 N 0.67 5.13 -0.18 2.63 1.01 -0.05 -1.12 120.40 128.49 3kre s VAL 91 Ca 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3kre s VAL 91 Cb -0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3kre s VAL 91 CO 0.02 0.28 -0.02 -0.69 0.00 0.00 0.00 175.10 174.68 3kre s VAL 92 N 1.66 3.86 -0.18 2.92 1.01 0.68 -0.34 120.40 130.01 3kre s VAL 92 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3kre s VAL 92 Cb -0.16 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3kre s VAL 92 CO 0.09 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 174.92 3kre s ILE 93 N 0.73 3.07 -0.13 2.22 1.09 -0.09 -0.39 121.20 127.70 3kre s ILE 93 Ca -0.01 -0.62 0.03 0.00 -1.10 0.00 0.00 60.65 58.95 3kre s ILE 93 Cb -0.14 -2.34 0.00 0.00 -1.06 0.00 0.00 42.46 38.92 3kre s ILE 93 CO 0.02 0.48 -0.21 -0.13 -0.10 0.00 0.00 174.94 175.00 3kre s ARG 94 N 0.99 3.08 -0.24 2.79 0.52 0.42 -1.20 118.95 125.31 3kre s ARG 94 Ca -0.01 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3kre s ARG 94 Cb -0.15 -2.42 -0.18 0.00 0.52 0.00 0.00 34.95 32.71 3kre s ARG 94 CO -0.01 0.07 -0.14 0.09 0.02 0.00 0.00 175.30 175.33 3kre n ASN 95 N 3.85 1.99 -4.41 0.23 3.02 0.57 -0.85 115.26 119.66 3kre n ASN 95 Ca -0.19 -0.09 -0.21 0.00 -0.03 0.00 0.00 54.58 54.06 3kre n ASN 95 Cb 0.52 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 3kre n ASN 95 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kre s LEU 96 N -6.59 2.57 0.17 3.41 1.43 -0.91 -2.14 118.68 116.63 3kre s LEU 96 Ca -0.33 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 51.45 3kre s LEU 96 Cb 0.09 -0.89 -0.08 0.00 0.03 0.00 0.00 46.19 45.33 3kre s LEU 96 CO 0.63 -0.06 1.30 0.00 0.23 0.00 0.00 176.35 178.44 3kre s ALA 97 N -2.72 3.51 0.31 4.21 0.00 0.39 -4.74 121.76 122.71 3kre s ALA 97 Ca 0.26 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 3kre s ALA 97 Cb -0.03 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3kre s ALA 97 CO 0.11 -0.52 0.70 0.00 0.00 0.00 0.00 175.76 176.06 3kre s ALA 98 N 0.31 -0.91 0.00 0.00 0.00 -1.26 0.05 121.76 119.94 3kre s ALA 98 Ca 0.57 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3kre s ALA 98 Cb -0.35 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.60 3kre s ALA 98 CO 0.36 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3kre n GLY 99 N -0.47 3.12 0.23 0.00 0.00 -1.26 -2.30 105.19 104.51 3kre n GLY 99 Ca -0.05 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3kre n GLY 99 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kre h ASN 100 N 5.90 0.00 0.35 1.61 2.35 -2.00 -2.79 115.58 121.00 3kre h ASN 100 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kre h ASN 100 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kre h ASN 100 CO 0.00 0.12 -0.17 0.15 -1.65 0.00 0.00 177.43 175.88 3kre h PHE 101 N 0.00 -0.43 -0.70 1.19 3.57 -1.89 -0.28 116.94 118.39 3kre h PHE 101 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3kre h PHE 101 Cb 0.81 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 3kre h PHE 101 CO 0.00 -0.20 0.33 0.77 -2.23 0.00 0.00 178.31 176.98 3kre h SER 102 N -0.58 0.42 -0.12 0.41 0.02 -1.32 -2.26 113.55 110.12 3kre h SER 102 Ca -0.05 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3kre h SER 102 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3kre h SER 102 CO 0.08 0.23 -0.01 0.11 -1.14 0.00 0.00 176.83 176.10 3kre h LYS 103 N 0.56 0.22 0.00 3.45 1.57 -1.33 -0.18 116.57 120.86 3kre h LYS 103 Ca 0.35 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3kre h LYS 103 Cb 0.40 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3kre h LYS 103 CO -0.29 0.48 -0.10 0.07 -0.57 0.00 0.00 179.45 179.04 3kre h ARG 104 N -0.07 0.00 -0.02 3.15 0.11 -0.82 -2.94 114.38 113.80 3kre h ARG 104 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3kre h ARG 104 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3kre h ARG 104 CO 0.01 0.10 -0.03 1.19 0.10 0.00 0.00 179.97 181.33 3kre n PHE 105 N -3.15 0.00 -3.83 4.08 3.72 -0.87 -5.00 117.46 112.42 3kre n PHE 105 Ca 0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 3kre n PHE 105 Cb 0.49 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.03 3kre n PHE 105 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kre n GLN 106 N 0.98 -3.74 -4.99 -1.08 6.02 -0.17 -4.99 117.38 109.41 3kre n GLN 106 Ca 0.11 0.49 -0.32 0.00 -0.01 0.00 0.00 57.00 57.27 3kre n GLN 106 Cb 0.47 -4.75 -0.15 0.00 1.02 0.00 0.00 30.24 26.83 3kre n GLN 106 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kre s ILE 107 N -3.81 2.68 0.28 5.09 1.01 -0.64 -5.05 121.20 120.77 3kre s ILE 107 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3kre s ILE 107 Cb -0.01 -2.06 -0.11 0.00 0.01 0.00 0.00 42.46 40.29 3kre s ILE 107 CO 0.86 0.56 1.53 0.00 0.00 0.00 0.00 174.94 177.89 3kre s ALA 108 N -0.11 3.69 0.07 9.38 0.00 -1.26 -4.46 121.76 129.07 3kre s ALA 108 Ca -0.03 1.48 -0.37 0.00 0.00 0.00 0.00 51.96 53.04 3kre s ALA 108 Cb -0.14 -3.61 -0.18 0.00 0.00 0.00 0.00 23.12 19.19 3kre s ALA 108 CO 0.04 -0.89 1.22 -0.25 0.00 0.00 0.00 175.76 175.88 3kre n ASP 109 N 2.15 1.06 0.00 0.00 8.00 -1.26 -1.91 116.55 124.58 3kre n ASP 109 Ca 0.07 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3kre n ASP 109 Cb 0.39 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 3kre n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kre n GLY 110 N 2.15 0.81 3.67 0.44 0.00 0.11 -4.97 105.19 107.40 3kre n GLY 110 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kre n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kre s THR 111 N -2.54 3.00 0.36 2.61 2.01 -0.80 -4.68 115.64 115.60 3kre s THR 111 Ca 0.00 0.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 3kre s THR 111 Cb 0.00 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 3kre s THR 111 CO 0.00 -0.01 0.98 -2.16 -0.69 0.00 0.00 174.62 172.74 3kre s PRO 112 N 3.70 4.42 0.19 4.92 0.04 -1.26 -0.46 135.00 146.54 3kre s PRO 112 Ca 0.82 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 3kre s PRO 112 Cb -0.41 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3kre s PRO 112 CO 0.37 0.12 0.38 -0.06 0.04 0.00 0.00 177.00 177.84 3kre s PHE 113 N -1.67 3.48 0.26 0.56 0.08 -0.91 -4.94 117.98 114.84 3kre s PHE 113 Ca 0.54 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.96 3kre s PHE 113 Cb -0.19 -1.87 0.33 0.00 -0.57 0.00 0.00 43.02 40.72 3kre s PHE 113 CO 0.24 0.40 1.66 -0.22 -0.10 0.00 0.00 175.22 177.20 3kre h LYS 114 N 2.16 0.49 -3.76 0.44 3.64 -1.97 -3.44 116.57 114.12 3kre h LYS 114 Ca -0.48 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 58.55 3kre h LYS 114 Cb 1.19 -0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 32.80 3kre h LYS 114 CO 0.69 0.76 -0.55 -1.54 -2.27 0.00 0.00 179.45 176.55 3kre s SER 115 N -6.83 0.16 0.57 4.20 1.04 -1.26 -5.14 113.70 106.43 3kre s SER 115 Ca -0.07 -0.45 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 3kre s SER 115 Cb 0.13 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3kre s SER 115 CO 0.80 -0.44 1.35 -2.84 0.98 0.00 0.00 173.24 173.09 3kre s PRO 116 N -2.13 2.97 -0.23 4.02 0.02 -1.26 -4.96 135.00 133.43 3kre s PRO 116 Ca -0.09 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.08 3kre s PRO 116 Cb -0.04 -2.14 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 3kre s PRO 116 CO -0.02 -1.31 -0.01 0.42 -0.33 0.00 0.00 177.00 175.75 3kre s ILE 117 N -1.32 3.66 -0.15 2.83 1.01 -0.03 -4.92 121.20 122.28 3kre s ILE 117 Ca 0.75 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 3kre s ILE 117 Cb -0.40 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3kre s ILE 117 CO 0.46 0.39 0.28 -0.63 0.00 0.00 0.00 174.94 175.44 3kre s ILE 118 N 1.52 5.31 0.03 2.92 1.01 -1.26 -0.43 121.20 130.30 3kre s ILE 118 Ca 0.06 0.53 0.06 0.00 0.00 0.00 0.00 60.65 61.30 3kre s ILE 118 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3kre s ILE 118 CO -0.01 0.41 -0.18 -1.61 0.00 0.00 0.00 174.94 173.55 3kre s GLU 119 N 0.35 1.23 -0.07 2.79 2.02 0.47 -4.99 118.70 120.51 3kre s GLU 119 Ca 0.16 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3kre s GLU 119 Cb -0.13 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.79 3kre s GLU 119 CO 0.04 0.33 -0.04 -0.06 0.02 0.00 0.00 175.26 175.54 3kre s PHE 120 N -0.74 3.01 0.01 1.61 0.08 -1.26 -0.23 117.98 120.47 3kre s PHE 120 Ca 0.05 0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.22 3kre s PHE 120 Cb -0.08 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3kre s PHE 120 CO 0.01 0.38 -0.12 0.71 -0.10 0.00 0.00 175.22 176.10 3kre s TYR 121 N -0.85 1.10 -0.10 0.36 2.02 -0.27 -1.49 117.35 118.11 3kre s TYR 121 Ca 0.13 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 3kre s TYR 121 Cb -0.11 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.75 3kre s TYR 121 CO 0.02 0.00 1.10 -0.47 -1.57 0.00 0.00 175.55 174.63 3kre s TYR 122 N -0.55 3.33 -0.55 2.71 5.04 0.16 -0.50 117.35 126.99 3kre s TYR 122 Ca 0.03 1.40 -0.27 0.00 -2.44 0.00 0.00 57.07 55.78 3kre s TYR 122 Cb -0.06 -3.31 0.03 0.00 0.35 0.00 0.00 41.96 38.97 3kre s TYR 122 CO 0.00 -0.76 1.12 0.21 -1.34 0.00 0.00 175.55 174.78 3kre s LYS 123 N 2.32 3.51 -0.30 4.97 2.20 -0.27 -3.50 119.74 128.67 3kre s LYS 123 Ca 0.51 0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 56.27 3kre s LYS 123 Cb -0.21 -4.00 0.17 0.00 -1.51 0.00 0.00 37.83 32.29 3kre s LYS 123 CO 0.18 -1.57 0.66 1.21 -0.36 0.00 0.00 175.35 175.47 3kre s ASN 124 N 2.82 -1.23 0.12 1.43 3.84 -1.26 -4.93 114.94 115.73 3kre s ASN 124 Ca 0.41 1.01 -0.18 0.00 0.21 0.00 0.00 52.86 54.30 3kre s ASN 124 Cb -0.08 2.12 -0.04 0.00 -0.55 0.00 0.00 41.25 42.70 3kre s ASN 124 CO 0.25 -0.23 1.72 0.44 -2.79 0.00 0.00 177.10 176.49 3kre h ASP 125 N 7.98 0.36 -0.93 -4.21 3.32 -1.95 0.17 116.42 121.16 3kre h ASP 125 Ca -0.21 -0.09 0.13 0.00 0.02 0.00 0.00 57.03 56.88 3kre h ASP 125 Cb 1.14 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 3kre h ASP 125 CO 0.19 0.35 0.59 -0.33 -1.72 0.00 0.00 179.24 178.32 3kre h GLU 126 N 0.35 0.79 -0.21 3.56 3.07 -2.01 -1.41 114.58 118.72 3kre h GLU 126 Ca 0.10 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3kre h GLU 126 Cb 0.07 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3kre h GLU 126 CO -0.02 0.52 0.00 1.28 -1.40 0.00 0.00 179.01 179.40 3kre n LEU 127 N -4.58 2.87 -3.64 1.33 4.77 -1.14 -4.96 117.00 111.65 3kre n LEU 127 Ca 0.18 -1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 54.82 3kre n LEU 127 Cb 0.42 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3kre n LEU 127 CO 0.29 0.56 0.04 -1.20 -1.33 0.00 0.00 177.39 175.75 3kre n SER 128 N 1.15 -2.38 -3.69 -1.43 7.64 -0.53 -3.93 113.62 110.46 3kre n SER 128 Ca 0.17 -0.73 -0.27 0.00 1.01 0.00 0.00 58.87 59.06 3kre n SER 128 Cb 0.54 -4.45 0.02 0.00 -1.01 0.00 0.00 64.21 59.30 3kre n SER 128 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kre n ASP 129 N -3.05 -5.37 -4.77 6.43 8.00 0.52 -4.88 116.55 113.43 3kre n ASP 129 Ca -0.23 -0.90 -0.40 0.00 0.71 0.00 0.00 54.79 53.97 3kre n ASP 129 Cb 0.65 -2.80 -0.01 0.00 -0.02 0.00 0.00 41.12 38.93 3kre n ASP 129 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3kre s PRO 130 N -5.39 4.17 0.46 -0.24 0.04 -1.23 -4.57 135.00 128.24 3kre s PRO 130 Ca 0.24 2.27 -0.25 0.00 0.04 0.00 0.00 61.00 63.30 3kre s PRO 130 Cb -0.10 -2.94 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 3kre s PRO 130 CO 0.88 -0.37 1.40 1.41 0.04 0.00 0.00 177.00 180.36 3kre s MET 131 N -2.01 3.64 0.03 4.56 1.75 -1.26 -0.67 119.30 125.35 3kre s MET 131 Ca 0.52 2.35 0.04 0.00 -1.25 0.00 0.00 55.69 57.36 3kre s MET 131 Cb -0.41 -2.61 -0.02 0.00 2.84 0.00 0.00 34.83 34.63 3kre s MET 131 CO 0.54 -0.83 -0.12 0.14 -0.65 0.00 0.00 175.02 174.10 3kre s VAL 132 N -1.23 0.97 0.77 10.11 -7.23 -0.56 -4.82 120.40 118.41 3kre s VAL 132 Ca 0.62 -0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 3kre s VAL 132 Cb -0.42 -0.89 0.05 0.00 0.56 0.00 0.00 36.38 35.68 3kre s VAL 132 CO 0.54 -0.03 1.13 -0.94 -0.31 0.00 0.00 175.10 175.49 3kre s SER 133 N -1.07 4.87 0.22 4.85 1.04 -1.26 -4.27 113.70 118.08 3kre s SER 133 Ca 0.00 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 3kre s SER 133 Cb -0.07 -1.68 0.28 0.00 0.10 0.00 0.00 66.02 64.65 3kre s SER 133 CO 0.01 -1.70 1.83 -0.33 0.98 0.00 0.00 173.24 174.03 3kre h GLU 134 N -0.91 0.81 -0.14 4.02 5.08 -1.99 -2.12 114.58 119.33 3kre h GLU 134 Ca -0.46 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 3kre h GLU 134 Cb 1.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3kre h GLU 134 CO 0.64 0.53 -0.09 0.78 -1.00 0.00 0.00 179.01 179.87 3kre h GLY 135 N 0.83 0.22 0.71 -3.84 0.00 -1.98 -0.16 103.07 98.85 3kre h GLY 135 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kre h GLY 135 CO -0.17 0.12 -0.05 0.84 0.00 0.00 0.00 176.54 177.28 3kre h HIS 136 N 0.20 -0.12 -0.64 5.60 -0.00 -1.83 0.98 115.15 119.34 3kre h HIS 136 Ca 0.04 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.51 3kre h HIS 136 Cb 0.29 0.04 -0.08 0.00 -0.00 0.00 0.00 27.41 27.67 3kre h HIS 136 CO 0.00 0.18 0.24 0.82 -0.00 0.00 0.00 177.93 179.17 3kre h ILE 137 N -0.43 0.75 -0.26 6.26 2.04 -0.79 -0.15 117.51 124.93 3kre h ILE 137 Ca -0.01 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 3kre h ILE 137 Cb 0.36 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3kre h ILE 137 CO 0.02 0.08 -0.51 -0.07 0.00 0.00 0.00 178.15 177.66 3kre h LEU 138 N 0.42 0.90 -0.47 1.44 3.38 -0.93 -1.90 115.31 118.15 3kre h LEU 138 Ca 0.33 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kre h LEU 138 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kre h LEU 138 CO -0.32 1.27 0.17 -1.28 0.09 0.00 0.00 178.44 178.37 3kre h SER 139 N 0.56 0.66 0.06 -0.43 0.87 -0.31 -1.96 113.55 113.01 3kre h SER 139 Ca 0.01 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 3kre h SER 139 Cb 1.12 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3kre h SER 139 CO 0.11 0.67 0.00 0.49 -0.53 0.00 0.00 176.83 177.57 3kre n PHE 140 N -4.56 0.00 -3.22 2.24 3.01 -0.11 -4.91 117.46 109.91 3kre n PHE 140 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 3kre n PHE 140 Cb 0.17 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 39.64 3kre n PHE 140 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3kre n GLN 141 N -1.04 -5.09 0.10 -1.08 6.02 -0.74 -4.89 117.38 110.67 3kre n GLN 141 Ca 0.21 0.80 -0.05 0.00 -0.01 0.00 0.00 57.00 57.95 3kre n GLN 141 Cb 0.11 -5.67 0.09 0.00 1.02 0.00 0.00 30.24 25.79 3kre n GLN 141 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3kre h TRP 142 N -1.54 0.17 -3.96 1.08 6.55 -1.63 -3.45 115.95 113.17 3kre h TRP 142 Ca -0.52 -0.08 -0.14 0.00 0.95 0.00 0.00 58.89 59.10 3kre h TRP 142 Cb 1.35 -0.02 -0.18 0.00 -0.86 0.00 0.00 29.16 29.45 3kre h TRP 142 CO 0.56 0.79 -0.62 -0.51 -1.05 0.00 0.00 178.44 177.60 3kre s LEU 143 N -7.58 2.12 0.82 -4.49 1.43 -1.25 -4.93 118.68 104.80 3kre s LEU 143 Ca -0.02 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 3kre s LEU 143 Cb 0.12 0.33 0.09 0.00 0.03 0.00 0.00 46.19 46.75 3kre s LEU 143 CO 0.79 -0.45 1.17 0.42 0.23 0.00 0.00 176.35 178.51 3kre s THR 144 N -2.48 2.05 0.16 5.49 -4.23 -1.26 -4.38 115.64 110.99 3kre s THR 144 Ca -0.06 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 3kre s THR 144 Cb -0.02 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.89 3kre s THR 144 CO -0.04 -0.02 1.74 0.78 -0.54 0.00 0.00 174.62 176.53 3kre h ASN 145 N -1.13 0.07 -0.52 3.99 2.35 -1.99 -0.78 115.58 117.57 3kre h ASN 145 Ca -0.47 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 3kre h ASN 145 Cb 1.33 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 3kre h ASN 145 CO 0.65 0.07 0.27 1.56 -1.65 0.00 0.00 177.43 178.33 3kre h GLN 146 N 0.24 0.74 -0.64 0.81 1.08 -2.00 -2.07 115.11 113.27 3kre h GLN 146 Ca 0.18 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3kre h GLN 146 Cb 0.19 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3kre h GLN 146 CO -0.22 0.59 0.30 0.93 -0.95 0.00 0.00 178.83 179.48 3kre h GLU 147 N 0.70 0.92 -0.29 1.46 5.08 -1.87 -0.69 114.58 119.89 3kre h GLU 147 Ca 0.18 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3kre h GLU 147 Cb 0.08 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kre h GLU 147 CO -0.03 0.72 -0.36 1.25 -1.00 0.00 0.00 179.01 179.59 3kre h LEU 148 N 0.91 0.81 -0.72 1.33 5.85 -0.82 0.24 115.31 122.92 3kre h LEU 148 Ca 0.22 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3kre h LEU 148 Cb 0.11 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3kre h LEU 148 CO -0.03 1.15 0.31 -0.08 -0.34 0.00 0.00 178.44 179.45 3kre h GLU 149 N 0.50 1.06 -0.56 1.25 4.57 -1.21 -2.59 114.58 117.60 3kre h GLU 149 Ca 0.04 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 3kre h GLU 149 Cb 0.95 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 3kre h GLU 149 CO 0.09 0.86 0.26 -0.22 -1.18 0.00 0.00 179.01 178.81 3kre h LYS 150 N 1.02 0.81 -0.30 1.92 1.63 -0.75 -1.97 116.57 118.92 3kre h LYS 150 Ca 0.24 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3kre h LYS 150 Cb 0.18 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3kre h LYS 150 CO -0.02 0.67 0.05 0.97 -3.45 0.00 0.00 179.45 177.67 3kre h ILE 151 N 0.76 1.15 -0.19 2.00 2.10 -0.33 1.00 117.51 123.99 3kre h ILE 151 Ca 0.19 -0.56 -0.19 0.00 1.08 0.00 0.00 64.86 65.38 3kre h ILE 151 Cb 0.13 0.87 0.01 0.00 -1.09 0.00 0.00 36.82 36.74 3kre h ILE 151 CO -0.02 0.20 -0.61 0.11 -1.08 0.00 0.00 178.15 176.74 3kre h LYS 152 N 0.43 0.76 -0.33 2.19 1.57 -1.19 -0.52 116.57 119.48 3kre h LYS 152 Ca 0.10 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3kre h LYS 152 Cb 0.20 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3kre h LYS 152 CO -0.00 1.18 0.14 0.82 -0.57 0.00 0.00 179.45 181.02 3kre h ILE 153 N 0.48 1.18 -0.50 1.86 2.04 -0.59 -1.21 117.51 120.77 3kre h ILE 153 Ca -0.02 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3kre h ILE 153 Cb 1.24 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3kre h ILE 153 CO 0.13 0.19 0.17 -0.07 0.00 0.00 0.00 178.15 178.57 3kre h LEU 154 N 0.39 0.71 -0.50 1.44 3.38 -0.83 -0.50 115.31 119.42 3kre h LEU 154 Ca 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kre h LEU 154 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kre h LEU 154 CO -0.01 0.71 0.33 0.28 0.09 0.00 0.00 178.44 179.84 3kre h SER 155 N 0.67 0.57 -0.33 -0.43 0.02 -0.87 0.12 113.55 113.30 3kre h SER 155 Ca 0.16 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3kre h SER 155 Cb 0.25 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3kre h SER 155 CO -0.01 0.41 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.87 3kre h LEU 156 N 0.68 0.79 -0.38 5.07 3.38 -1.05 0.24 115.31 124.05 3kre h LEU 156 Ca 0.18 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kre h LEU 156 Cb -0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3kre h LEU 156 CO -0.04 0.95 0.05 0.50 0.09 0.00 0.00 178.44 180.00 3kre h LYS 157 N 0.71 0.63 -0.59 1.13 3.64 -0.74 -0.73 116.57 120.61 3kre h LYS 157 Ca 0.11 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3kre h LYS 157 Cb 0.66 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3kre h LYS 157 CO 0.05 0.69 0.39 0.82 -2.27 0.00 0.00 179.45 179.13 3kre h ILE 158 N 0.47 1.15 -0.39 2.00 2.04 -0.65 -0.53 117.51 121.59 3kre h ILE 158 Ca 0.11 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3kre h ILE 158 Cb 0.37 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3kre h ILE 158 CO 0.01 0.15 0.15 -1.13 0.00 0.00 0.00 178.15 177.32 3kre h ASN 159 N 0.80 0.17 -0.19 1.72 -1.24 -0.69 0.25 115.58 116.40 3kre h ASN 159 Ca 0.22 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 3kre h ASN 159 Cb -0.08 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3kre h ASN 159 CO -0.05 0.13 0.12 0.78 -1.29 0.00 0.00 177.43 177.12 3kre h ASN 160 N 0.31 0.23 0.21 1.15 2.35 -0.46 0.15 115.58 119.52 3kre h ASN 160 Ca 0.18 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3kre h ASN 160 Cb 0.15 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kre h ASN 160 CO -0.17 0.20 -0.10 0.40 -1.65 0.00 0.00 177.43 176.10 3kre h ILE 161 N 0.23 0.80 -0.61 2.81 2.04 -0.89 -2.07 117.51 119.83 3kre h ILE 161 Ca 0.07 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3kre h ILE 161 Cb 0.01 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3kre h ILE 161 CO -0.01 0.01 0.16 -0.07 0.00 0.00 0.00 178.15 178.23 3kre h LEU 162 N -0.30 0.91 -0.90 1.44 3.38 -0.92 -1.60 115.31 117.33 3kre h LEU 162 Ca -0.03 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3kre h LEU 162 Cb 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3kre h LEU 162 CO 0.05 0.90 0.58 0.28 0.09 0.00 0.00 178.44 180.35 3kre h SER 163 N 0.88 0.98 -0.24 -0.43 0.02 -0.63 -0.94 113.55 113.18 3kre h SER 163 Ca 0.19 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3kre h SER 163 Cb 0.34 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3kre h SER 163 CO -0.00 0.69 -0.29 -0.08 -1.14 0.00 0.00 176.83 176.01 3kre h GLU 164 N 1.15 0.63 -0.20 3.45 4.81 -1.16 -0.62 114.58 122.64 3kre h GLU 164 Ca 0.35 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3kre h GLU 164 Cb -0.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3kre h GLU 164 CO -0.11 0.95 -0.47 1.37 -0.73 0.00 0.00 179.01 180.03 3kre h LEU 165 N 0.34 0.56 -0.35 1.64 8.10 -1.03 -1.45 115.31 123.12 3kre h LEU 165 Ca 0.03 -0.27 -0.14 0.00 0.11 0.00 0.00 57.88 57.62 3kre h LEU 165 Cb 0.86 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.92 3kre h LEU 165 CO 0.07 0.94 -0.31 -0.26 -4.11 0.00 0.00 178.44 174.77 3kre h PHE 166 N 0.42 1.00 -0.98 0.17 0.04 -1.15 -3.04 116.94 113.39 3kre h PHE 166 Ca 0.02 -0.29 0.05 0.00 2.80 0.00 0.00 57.97 60.56 3kre h PHE 166 Cb 0.98 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.85 3kre h PHE 166 CO 0.04 1.08 0.63 0.35 -0.60 0.00 0.00 178.31 179.81 3kre h PHE 167 N 0.63 1.17 0.00 -0.55 3.57 -0.55 -0.40 116.94 120.82 3kre h PHE 167 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kre h PHE 167 Cb 0.89 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3kre h PHE 167 CO 0.07 0.64 0.00 -0.91 -2.23 0.00 0.00 178.31 175.87 3kre h ASN 168 N 1.18 0.00 -0.16 0.41 2.35 -1.16 -0.82 115.58 117.37 3kre h ASN 168 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3kre h ASN 168 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3kre h ASN 168 CO -0.15 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 176.96 3kre n VAL 169 N -2.39 2.13 -1.92 2.81 0.24 -0.55 -4.99 118.33 113.67 3kre n VAL 169 Ca 0.01 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 3kre n VAL 169 Cb 0.21 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 3kre n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kre n GLY 170 N -0.86 0.42 3.10 7.63 0.00 -0.31 -4.99 105.19 110.18 3kre n GLY 170 Ca 0.19 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 3kre n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kre s ILE 171 N -2.00 1.27 -0.21 -0.61 1.01 -0.27 -1.50 121.20 118.89 3kre s ILE 171 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3kre s ILE 171 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3kre s ILE 171 CO 0.00 0.37 0.34 -0.75 0.00 0.00 0.00 174.94 174.90 3kre s LYS 172 N 0.09 4.14 -0.65 2.79 2.47 0.82 -2.11 119.74 127.30 3kre s LYS 172 Ca -0.04 0.08 -0.26 0.00 -1.56 0.00 0.00 55.97 54.19 3kre s LYS 172 Cb -0.11 -3.54 0.04 0.00 -1.46 0.00 0.00 37.83 32.76 3kre s LYS 172 CO 0.02 -0.02 1.13 -1.17 0.16 0.00 0.00 175.35 175.46 3kre s LEU 173 N 1.28 3.65 -0.08 5.43 2.96 -1.26 -1.51 118.68 129.14 3kre s LEU 173 Ca 0.16 -0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 3kre s LEU 173 Cb -0.14 -2.74 -0.21 0.00 0.50 0.00 0.00 46.19 43.60 3kre s LEU 173 CO 0.07 -1.55 0.90 0.58 -1.32 0.00 0.00 176.35 175.03 3kre h VAL 174 N 6.05 1.38 -2.86 1.68 2.07 -1.37 -3.43 116.25 119.77 3kre h VAL 174 Ca -0.27 -1.66 0.09 0.00 0.82 0.00 0.00 66.70 65.68 3kre h VAL 174 Cb 1.06 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 33.21 3kre h VAL 174 CO 1.20 0.40 0.29 1.51 0.02 0.00 0.00 177.57 180.99 3kre s ASP 175 N -5.87 -0.23 0.09 0.57 1.47 -1.23 -0.32 116.67 111.15 3kre s ASP 175 Ca -0.16 -0.59 -0.26 0.00 1.18 0.00 0.00 52.55 52.73 3kre s ASP 175 Cb -0.01 0.68 0.08 0.00 -0.34 0.00 0.00 42.92 43.34 3kre s ASP 175 CO 0.60 -1.27 0.82 0.72 0.68 0.00 0.00 175.17 176.73 3kre s PHE 176 N -3.73 -0.33 -0.06 2.11 -0.12 -0.34 -0.60 117.98 114.91 3kre s PHE 176 Ca 0.11 0.12 0.06 0.00 -0.05 0.00 0.00 56.93 57.17 3kre s PHE 176 Cb -0.05 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3kre s PHE 176 CO 0.06 -0.73 -0.23 0.21 -0.05 0.00 0.00 175.22 174.48 3kre s LYS 177 N -3.36 2.57 0.15 1.99 2.36 -0.13 -0.91 119.74 122.40 3kre s LYS 177 Ca 0.06 -0.87 0.11 0.00 -2.55 0.00 0.00 55.97 52.72 3kre s LYS 177 Cb -0.01 -2.21 -0.04 0.00 -1.05 0.00 0.00 37.83 34.52 3kre s LYS 177 CO -0.06 0.41 -0.25 -0.51 1.55 0.00 0.00 175.35 176.48 3kre s LEU 178 N -0.22 2.36 0.03 5.43 1.43 0.54 -4.88 118.68 123.36 3kre s LEU 178 Ca -0.02 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3kre s LEU 178 Cb -0.13 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 3kre s LEU 178 CO 0.03 0.14 -0.12 -1.61 0.23 0.00 0.00 176.35 175.02 3kre s GLU 179 N -2.26 0.82 0.21 1.70 2.02 -1.26 -0.87 118.70 119.06 3kre s GLU 179 Ca 0.15 -0.69 0.09 0.00 0.02 0.00 0.00 54.97 54.54 3kre s GLU 179 Cb -0.09 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.30 3kre s GLU 179 CO 0.07 0.19 -0.16 -0.06 0.02 0.00 0.00 175.26 175.32 3kre s PHE 180 N -0.84 1.86 0.29 1.61 0.08 -1.26 -0.71 117.98 119.02 3kre s PHE 180 Ca -0.00 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.55 3kre s PHE 180 Cb -0.07 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 3kre s PHE 180 CO 0.01 0.43 0.32 0.20 -0.10 0.00 0.00 175.22 176.08 3kre s GLY 181 N -3.24 1.69 0.09 4.36 0.00 0.06 -1.03 107.32 109.25 3kre s GLY 181 Ca 0.23 -1.70 0.06 0.00 0.00 0.00 0.00 44.72 43.30 3kre s GLY 181 CO 0.09 -1.23 -0.15 0.54 0.00 0.00 0.00 173.10 172.34 3kre s LYS 182 N -3.56 0.93 0.36 2.90 1.02 0.00 -0.78 119.74 120.61 3kre s LYS 182 Ca 0.36 -1.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 3kre s LYS 182 Cb 0.02 -0.96 -0.11 0.00 -0.52 0.00 0.00 37.83 36.27 3kre s LYS 182 CO 0.20 0.21 1.44 -0.51 -0.92 0.00 0.00 175.35 175.77 3kre s LEU 183 N -1.94 4.35 -0.12 3.17 1.43 -1.26 -1.06 118.68 123.25 3kre s LEU 183 Ca 0.02 2.95 -0.40 0.00 -1.03 0.00 0.00 54.13 55.67 3kre s LEU 183 Cb -0.09 -3.66 -0.19 0.00 0.03 0.00 0.00 46.19 42.28 3kre s LEU 183 CO 0.03 -0.78 1.15 0.00 0.23 0.00 0.00 176.35 176.97 3kre n HIS 184 N 0.63 0.88 -1.84 0.29 -0.00 -1.26 -2.98 115.22 110.94 3kre n HIS 184 Ca 0.01 1.03 -0.19 0.00 -0.00 0.00 0.00 57.72 58.58 3kre n HIS 184 Cb 0.40 -2.03 -0.05 0.00 -0.00 0.00 0.00 29.99 28.31 3kre n HIS 184 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3kre n ASN 185 N 2.03 -5.29 -3.76 4.39 3.02 -1.26 -4.91 115.26 109.49 3kre n ASN 185 Ca 0.22 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.76 3kre n ASN 185 Cb 0.04 -4.39 -0.15 0.00 -0.61 0.00 0.00 39.78 34.67 3kre n ASN 185 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kre s ASP 186 N -2.57 3.76 0.06 6.41 -1.08 -1.16 -4.98 116.67 117.11 3kre s ASP 186 Ca 0.00 -1.40 0.21 0.00 -0.52 0.00 0.00 52.55 50.84 3kre s ASP 186 Cb 0.00 -0.84 0.88 0.00 -1.46 0.00 0.00 42.92 41.50 3kre s ASP 186 CO 0.00 -0.37 1.67 -1.84 0.52 0.00 0.00 175.17 175.15 3kre n GLU 187 N 4.87 0.06 -0.47 4.34 0.00 -1.26 -2.07 120.64 126.11 3kre n GLU 187 Ca -0.05 0.20 0.08 0.00 0.00 0.00 0.00 57.16 57.39 3kre n GLU 187 Cb 0.43 -1.59 0.27 0.00 0.00 0.00 0.00 31.44 30.56 3kre n GLU 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3kre n GLN 188 N -1.69 3.29 -1.67 3.44 1.13 -1.26 -5.03 117.38 115.59 3kre n GLN 188 Ca 0.05 -2.71 -0.43 0.00 -1.94 0.00 0.00 57.00 51.96 3kre n GLN 188 Cb 0.26 -1.77 -0.01 0.00 0.11 0.00 0.00 30.24 28.82 3kre n GLN 188 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kre n SER 189 N 0.14 2.45 -4.18 1.08 2.88 -0.88 -5.00 113.62 110.11 3kre n SER 189 Ca 0.21 1.20 -0.30 0.00 -1.33 0.00 0.00 58.87 58.64 3kre n SER 189 Cb 0.82 -1.44 0.18 0.00 -0.75 0.00 0.00 64.21 63.03 3kre n SER 189 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kre s ASP 190 N -0.30 2.92 -0.20 -3.46 -1.08 -1.26 -4.91 116.67 108.37 3kre s ASP 190 Ca 0.57 0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 52.79 3kre s ASP 190 Cb -0.61 -0.54 -0.02 0.00 -1.46 0.00 0.00 42.92 40.29 3kre s ASP 190 CO 0.60 -2.87 0.66 -0.76 0.52 0.00 0.00 175.17 173.33 3kre s LEU 191 N -6.03 4.13 -0.17 -1.34 1.43 -1.26 -4.50 118.68 110.94 3kre s LEU 191 Ca 0.72 0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.62 3kre s LEU 191 Cb -0.06 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3kre s LEU 191 CO 0.53 -0.31 0.03 -0.36 0.23 0.00 0.00 176.35 176.47 3kre s PHE 192 N 2.06 3.17 0.19 0.29 0.08 0.04 -4.68 117.98 119.13 3kre s PHE 192 Ca 0.30 -0.06 -0.31 0.00 0.12 0.00 0.00 56.93 56.98 3kre s PHE 192 Cb -0.16 -2.04 -0.09 0.00 -0.57 0.00 0.00 43.02 40.16 3kre s PHE 192 CO 0.10 0.08 1.41 -1.17 -0.10 0.00 0.00 175.22 175.55 3kre s LEU 193 N 0.39 4.39 0.00 -0.37 2.96 -0.09 -0.76 118.68 125.19 3kre s LEU 193 Ca 0.01 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3kre s LEU 193 Cb -0.13 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3kre s LEU 193 CO 0.01 -0.66 0.00 0.00 -1.32 0.00 0.00 176.35 174.38 3kre n ALA 194 N 3.10 0.00 -0.45 5.97 0.00 0.12 -0.22 120.51 129.03 3kre n ALA 194 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kre n ALA 194 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3kre n ALA 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kre n ASP 195 N 0.00 0.00 -4.08 0.00 2.03 -1.26 -4.55 116.55 108.68 3kre n ASP 195 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 3kre n ASP 195 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 3kre n ASP 195 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3kre s GLU 196 N 0.00 0.64 -0.29 -0.67 -1.05 -1.26 -5.08 118.70 110.98 3kre s GLU 196 Ca 0.00 -1.22 0.02 0.00 -0.15 0.00 0.00 54.97 53.62 3kre s GLU 196 Cb 0.00 0.22 0.08 0.00 -0.44 0.00 0.00 34.13 33.99 3kre s GLU 196 CO 0.00 -0.12 -0.00 0.42 0.95 0.00 0.00 175.26 176.50 3kre s ILE 197 N -3.92 1.84 0.37 1.83 1.01 -1.26 -4.86 121.20 116.20 3kre s ILE 197 Ca 0.08 -1.76 -0.10 0.00 0.00 0.00 0.00 60.65 58.87 3kre s ILE 197 Cb 0.08 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.38 3kre s ILE 197 CO -0.09 -0.37 0.67 -1.54 0.00 0.00 0.00 174.94 173.61 3kre n SER 198 N 4.49 -1.92 0.00 3.58 3.41 -1.26 -3.06 113.62 118.86 3kre n SER 198 Ca -0.05 -2.67 0.04 0.00 -0.26 0.00 0.00 58.87 55.93 3kre n SER 198 Cb 0.43 3.30 0.18 0.00 -0.26 0.00 0.00 64.21 67.85 3kre n SER 198 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kre n PRO 199 N -0.54 0.02 0.22 4.33 -0.02 -1.26 -0.84 135.00 136.91 3kre n PRO 199 Ca -0.05 0.34 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3kre n PRO 199 Cb 0.58 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.84 3kre n PRO 199 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kre h ASP 200 N 0.00 0.00 0.00 2.55 5.19 -1.95 -1.10 116.42 121.10 3kre h ASP 200 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kre h ASP 200 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3kre h ASP 200 CO 0.00 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 176.54 3kre n THR 201 N -3.13 0.00 -4.55 0.35 -2.24 -0.02 -4.89 114.28 99.81 3kre n THR 201 Ca 0.03 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 3kre n THR 201 Cb 0.50 1.17 -0.16 0.00 -2.10 0.00 0.00 70.33 69.74 3kre n THR 201 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kre s ARG 203 N 0.31 4.47 -0.12 0.00 0.52 0.24 -4.59 118.95 119.77 3kre s ARG 203 Ca -0.07 1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 56.15 3kre s ARG 203 Cb -0.11 -3.45 0.04 0.00 0.52 0.00 0.00 34.95 31.95 3kre s ARG 203 CO 0.02 0.04 0.04 -0.51 0.02 0.00 0.00 175.30 174.91 3kre s LEU 204 N 0.82 0.59 -0.06 2.53 1.43 -1.26 -0.83 118.68 121.90 3kre s LEU 204 Ca 0.41 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3kre s LEU 204 Cb -0.19 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 3kre s LEU 204 CO 0.21 -0.26 -0.20 0.26 0.23 0.00 0.00 176.35 176.58 3kre s TRP 205 N 2.02 2.55 0.21 0.29 0.51 -0.57 -0.66 118.94 123.28 3kre s TRP 205 Ca 0.03 -0.47 -0.32 0.00 -2.12 0.00 0.00 56.10 53.22 3kre s TRP 205 Cb -0.14 -1.62 -0.11 0.00 -0.81 0.00 0.00 33.47 30.79 3kre s TRP 205 CO -0.06 -0.05 1.67 0.34 -0.51 0.00 0.00 176.95 178.34 3kre s ASP 206 N -0.38 6.43 0.14 2.95 2.15 0.30 -0.13 116.67 128.13 3kre s ASP 206 Ca 0.03 2.82 -0.13 0.00 0.43 0.00 0.00 52.55 55.70 3kre s ASP 206 Cb -0.12 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3kre s ASP 206 CO 0.02 -0.93 1.57 0.40 -0.17 0.00 0.00 175.17 176.06 3kre h ILE 207 N 3.81 1.27 -0.14 4.11 2.04 -1.61 0.35 117.51 127.34 3kre h ILE 207 Ca -0.43 -1.10 -0.14 0.00 1.00 0.00 0.00 64.86 64.19 3kre h ILE 207 Cb 1.20 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3kre h ILE 207 CO 0.93 0.38 -0.50 0.77 0.00 0.00 0.00 178.15 179.73 3kre h SER 208 N 0.65 0.40 0.00 1.72 4.64 -1.91 -3.35 113.55 115.70 3kre h SER 208 Ca 0.12 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kre h SER 208 Cb 0.54 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3kre h SER 208 CO 0.03 0.83 -0.71 0.35 -0.87 0.00 0.00 176.83 176.46 3kre n THR 209 N -3.96 0.00 -1.56 2.95 -2.24 -1.22 -4.99 114.28 103.26 3kre n THR 209 Ca -0.02 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 3kre n THR 209 Cb 0.56 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 3kre n THR 209 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kre n ASN 210 N -1.39 -5.34 -4.74 3.42 5.03 0.11 -4.98 115.26 107.38 3kre n ASN 210 Ca 0.00 0.47 -0.42 0.00 0.87 0.00 0.00 54.58 55.51 3kre n ASN 210 Cb 0.13 -4.53 -0.02 0.00 -1.02 0.00 0.00 39.78 34.33 3kre n ASN 210 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3kre s LYS 211 N -3.62 4.23 0.10 3.52 2.20 -1.25 -4.70 119.74 120.21 3kre s LYS 211 Ca 0.00 2.37 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 3kre s LYS 211 Cb 0.00 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 3kre s LYS 211 CO 0.00 -0.50 0.97 1.03 -0.36 0.00 0.00 175.35 176.49 3kre s ARG 212 N -0.07 4.67 0.00 4.03 0.52 -1.26 -0.54 118.95 126.30 3kre s ARG 212 Ca 0.62 1.46 0.12 0.00 -0.52 0.00 0.00 55.73 57.41 3kre s ARG 212 Cb -0.43 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 31.55 3kre s ARG 212 CO 0.42 0.17 0.55 1.28 0.02 0.00 0.00 175.30 177.74 3kre n LEU 213 N 2.94 0.74 0.00 2.53 4.77 0.17 -4.82 117.00 123.33 3kre n LEU 213 Ca 0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3kre n LEU 213 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3kre n LEU 213 CO 0.51 0.17 0.00 -0.90 -1.33 0.00 0.00 177.39 175.84 3kre n ASP 214 N -1.05 0.48 0.19 -1.43 5.75 -1.26 -3.07 116.55 116.15 3kre n ASP 214 Ca 0.03 -0.54 0.18 0.00 -0.01 0.00 0.00 54.79 54.45 3kre n ASP 214 Cb 0.20 0.00 0.79 0.00 -1.03 0.00 0.00 41.12 41.08 3kre n ASP 214 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3kre h LYS 215 N 0.00 0.00 -0.25 0.11 3.64 -1.46 0.06 116.57 118.67 3kre h LYS 215 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3kre h LYS 215 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kre h LYS 215 CO 0.00 0.00 0.28 -0.44 -2.27 0.00 0.00 179.45 177.02 3kre h ASP 216 N 0.00 0.00 -0.66 4.20 3.32 -1.93 0.77 116.42 122.12 3kre h ASP 216 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3kre h ASP 216 Cb 0.85 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 3kre h ASP 216 CO -0.00 0.00 0.35 0.03 -1.72 0.00 0.00 179.24 177.90 3kre h ARG 217 N 0.00 0.95 -0.00 3.56 3.08 -1.29 0.20 114.38 120.87 3kre h ARG 217 Ca 0.12 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3kre h ARG 217 Cb 0.67 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kre h ARG 217 CO -0.00 0.71 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.63 3kre h TYR 218 N 0.95 0.06 -0.92 3.04 3.20 -1.10 0.64 116.97 122.84 3kre h TYR 218 Ca 0.24 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.18 3kre h TYR 218 Cb 0.06 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.24 3kre h TYR 218 CO 0.01 0.78 0.55 0.00 -1.64 0.00 0.00 178.16 177.86 3kre h ARG 219 N -0.67 0.87 -0.68 1.82 3.08 -0.94 -2.07 114.38 115.79 3kre h ARG 219 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kre h ARG 219 Cb 0.79 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3kre h ARG 219 CO 0.01 0.58 0.00 1.28 -1.07 0.00 0.00 179.97 180.77 3kre n LEU 220 N -4.68 4.18 -4.08 3.04 4.77 0.04 -4.96 117.00 115.31 3kre n LEU 220 Ca 0.16 -2.10 -0.32 0.00 -0.03 0.00 0.00 56.01 53.72 3kre n LEU 220 Cb 0.31 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3kre n LEU 220 CO 0.27 0.87 -0.30 -3.20 -1.33 0.00 0.00 177.39 173.70 3kre n ASN 221 N 1.35 -1.09 -0.03 -1.43 4.05 -0.78 -4.89 115.26 112.44 3kre n ASN 221 Ca 0.24 -1.16 0.13 0.00 0.45 0.00 0.00 54.58 54.24 3kre n ASN 221 Cb 0.72 -2.29 0.39 0.00 1.23 0.00 0.00 39.78 39.83 3kre n ASN 221 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3kre n LEU 222 N -4.57 0.42 -0.64 1.20 4.77 0.20 -5.04 117.00 113.34 3kre n LEU 222 Ca -0.26 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3kre n LEU 222 Cb 0.66 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3kre n LEU 222 CO 0.78 0.10 -0.16 0.61 -1.33 0.00 0.00 177.39 177.38 3kre n GLY 223 N 1.46 -1.89 3.84 -0.72 0.00 -1.25 -4.92 105.19 101.71 3kre n GLY 223 Ca 0.07 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 3kre n GLY 223 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kre n ASN 224 N -2.86 -4.76 0.06 1.61 4.13 -1.26 -4.89 115.26 107.29 3kre n ASN 224 Ca -0.01 -0.74 -0.13 0.00 1.68 0.00 0.00 54.58 55.39 3kre n ASN 224 Cb 0.29 -4.12 -0.08 0.00 -1.54 0.00 0.00 39.78 34.34 3kre n ASN 224 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3kre h VAL 225 N -2.18 1.04 -0.31 2.41 2.07 -1.91 -2.30 116.25 115.07 3kre h VAL 225 Ca -0.58 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 3kre h VAL 225 Cb 1.37 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3kre h VAL 225 CO 0.64 0.11 -0.23 -0.29 0.02 0.00 0.00 177.57 177.82 3kre h ILE 226 N -0.30 1.27 -0.84 4.57 6.09 -1.92 -1.97 117.51 124.40 3kre h ILE 226 Ca -0.01 -1.27 0.02 0.00 -1.37 0.00 0.00 64.86 62.23 3kre h ILE 226 Cb 0.26 1.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.78 3kre h ILE 226 CO 0.02 0.41 0.55 -0.33 -3.07 0.00 0.00 178.15 175.73 3kre h GLU 227 N 0.52 1.06 -0.24 2.19 3.07 -1.93 0.18 114.58 119.42 3kre h GLU 227 Ca 0.08 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3kre h GLU 227 Cb 0.68 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3kre h GLU 227 CO 0.05 0.70 0.01 0.78 -1.40 0.00 0.00 179.01 179.15 3kre h GLY 228 N 1.09 0.46 1.20 -3.84 0.00 -0.78 0.73 103.07 101.92 3kre h GLY 228 Ca 0.32 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3kre h GLY 228 CO -0.08 0.31 0.18 -0.97 0.00 0.00 0.00 176.54 175.98 3kre h TYR 229 N 0.20 1.04 -0.41 5.60 0.99 -1.00 -2.05 116.97 121.33 3kre h TYR 229 Ca 0.07 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 3kre h TYR 229 Cb 0.40 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 3kre h TYR 229 CO 0.03 0.84 -0.22 -0.09 -0.00 0.00 0.00 178.16 178.72 3kre h ARG 230 N 0.96 0.82 -0.69 4.88 2.43 -0.52 -1.45 114.38 120.81 3kre h ARG 230 Ca 0.21 -0.33 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3kre h ARG 230 Cb 0.30 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 3kre h ARG 230 CO -0.00 0.96 0.42 1.49 -1.51 0.00 0.00 179.97 181.32 3kre h GLU 231 N 0.71 0.77 -0.22 0.20 4.81 -0.38 0.19 114.58 120.66 3kre h GLU 231 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kre h GLU 231 Cb 0.74 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3kre h GLU 231 CO 0.06 0.51 0.12 0.28 -0.73 0.00 0.00 179.01 179.25 3kre h VAL 232 N 0.79 1.12 -0.71 0.32 2.07 -1.08 -0.44 116.25 118.32 3kre h VAL 232 Ca 0.29 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kre h VAL 232 Cb 0.10 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3kre h VAL 232 CO -0.14 0.11 0.47 0.00 0.02 0.00 0.00 177.57 178.03 3kre h ALA 233 N 1.00 0.91 -0.15 1.67 0.00 -0.81 -0.90 119.26 120.98 3kre h ALA 233 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kre h ALA 233 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kre h ALA 233 CO -0.01 0.30 0.04 0.45 0.00 0.00 0.00 179.25 180.03 3kre h HIS 234 N 0.94 0.25 -0.31 0.00 -0.00 -0.40 -1.24 115.15 114.39 3kre h HIS 234 Ca 0.27 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 3kre h HIS 234 Cb -0.07 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 3kre h HIS 234 CO -0.03 0.37 0.01 0.87 -0.00 0.00 0.00 177.93 179.15 3kre h LYS 235 N 0.05 0.47 0.00 2.45 1.57 -0.91 -2.00 116.57 118.21 3kre h LYS 235 Ca 0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kre h LYS 235 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kre h LYS 235 CO -0.00 0.50 0.00 -0.07 -0.57 0.00 0.00 179.45 179.31 3kre h LEU 236 N 0.46 0.00 -1.20 2.94 3.38 -1.06 -3.47 115.31 116.36 3kre h LEU 236 Ca 0.10 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.68 3kre h LEU 236 Cb 0.29 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.15 3kre h LEU 236 CO 0.01 0.00 -0.73 -3.20 0.09 0.00 0.00 178.44 174.60 3kre n ASN 237 N -2.64 -4.36 0.06 -0.43 5.15 -0.57 -4.93 115.26 107.54 3kre n ASN 237 Ca 0.03 -0.63 0.12 0.00 -0.60 0.00 0.00 54.58 53.51 3kre n ASN 237 Cb 0.39 -4.77 0.24 0.00 -0.53 0.00 0.00 39.78 35.10 3kre n ASN 237 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kre n ALA 238 N -4.64 2.85 -2.63 5.20 0.00 -0.62 -4.82 120.51 115.85 3kre n ALA 238 Ca -0.10 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 3kre n ALA 238 Cb 0.60 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3kre n ALA 238 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kre s ILE 239 N -3.13 5.03 0.74 0.00 1.01 -1.26 -4.67 121.20 118.92 3kre s ILE 239 Ca 0.08 1.05 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 3kre s ILE 239 Cb 0.14 -3.89 0.04 0.00 0.01 0.00 0.00 42.46 38.76 3kre s ILE 239 CO 0.69 0.08 1.10 -2.16 0.00 0.00 0.00 174.94 174.64 3kre s PRO 240 N 2.24 2.39 0.00 2.79 0.04 -1.26 -5.14 135.00 136.06 3kre s PRO 240 Ca 0.25 1.25 0.16 0.00 0.04 0.00 0.00 61.00 62.69 3kre s PRO 240 Cb -0.16 -1.91 0.95 0.00 0.04 0.00 0.00 34.50 33.43 3kre s PRO 240 CO 0.09 -1.55 1.36 0.09 0.04 0.00 0.00 177.00 177.03