#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khy s GLU 3 N 0.00 1.32 -0.13 -1.46 2.02 -0.20 -4.14 118.70 116.10 3khy s GLU 3 Ca 0.00 -1.44 0.01 0.00 0.02 0.00 0.00 54.97 53.56 3khy s GLU 3 Cb 0.00 -1.40 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 3khy s GLU 3 CO 0.00 0.29 -0.16 0.42 0.02 0.00 0.00 175.26 175.82 3khy s ILE 4 N -2.03 2.66 -0.28 -1.63 -1.09 0.78 -1.31 121.20 118.30 3khy s ILE 4 Ca 0.17 -0.79 -0.26 0.00 -2.23 0.00 0.00 60.65 57.54 3khy s ILE 4 Cb -0.06 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 3khy s ILE 4 CO 0.07 0.53 0.89 -0.22 -1.23 0.00 0.00 174.94 174.99 3khy s LEU 5 N 0.54 4.05 -0.17 2.97 2.96 -0.79 -1.18 118.68 127.06 3khy s LEU 5 Ca -0.10 0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 54.68 3khy s LEU 5 Cb -0.16 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 3khy s LEU 5 CO 0.04 -0.66 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.72 3khy s VAL 6 N 3.12 4.12 0.04 1.68 1.01 0.11 -0.86 120.40 129.63 3khy s VAL 6 Ca 0.37 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3khy s VAL 6 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3khy s VAL 6 CO 0.11 0.47 -0.24 -0.76 0.00 0.00 0.00 175.10 174.68 3khy s LEU 7 N 0.52 2.17 -0.32 3.92 1.43 0.08 -1.39 118.68 125.08 3khy s LEU 7 Ca -0.01 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3khy s LEU 7 Cb -0.14 -1.15 0.10 0.00 0.03 0.00 0.00 46.19 45.03 3khy s LEU 7 CO 0.02 0.22 0.10 0.21 0.23 0.00 0.00 176.35 177.12 3khy s ASN 8 N -1.21 4.11 -0.19 2.29 2.47 -0.02 -0.93 114.94 121.45 3khy s ASN 8 Ca 0.10 -1.72 -0.17 0.00 0.42 0.00 0.00 52.86 51.49 3khy s ASN 8 Cb -0.09 -0.95 -0.04 0.00 -1.45 0.00 0.00 41.25 38.72 3khy s ASN 8 CO 0.02 -0.41 0.45 0.00 -3.72 0.00 0.00 177.10 173.44 3khy s GLY 10 N 1.03 2.57 0.35 0.00 0.00 0.17 -3.95 107.32 107.49 3khy s GLY 10 Ca 0.22 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.84 3khy s GLY 10 CO 0.09 -2.02 1.95 1.48 0.00 0.00 0.00 173.10 174.60 3khy h SER 11 N 1.07 0.70 0.00 1.64 4.64 -1.92 -3.16 113.55 116.52 3khy h SER 11 Ca -0.40 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 3khy h SER 11 Cb 1.30 -0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 63.07 3khy h SER 11 CO 0.65 0.45 -0.69 -1.54 -0.87 0.00 0.00 176.83 174.83 3khy n SER 12 N -4.48 0.84 -3.73 4.97 3.41 -1.26 -4.98 113.62 108.38 3khy n SER 12 Ca 0.11 -2.31 -0.12 0.00 -0.26 0.00 0.00 58.87 56.29 3khy n SER 12 Cb 0.23 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 3khy n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3khy s SER 13 N -1.85 -0.19 -0.13 4.04 1.04 -1.19 -2.04 113.70 113.38 3khy s SER 13 Ca 0.22 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 3khy s SER 13 Cb 0.24 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.76 3khy s SER 13 CO -0.08 -0.59 0.01 -0.69 0.98 0.00 0.00 173.24 172.87 3khy s VAL 14 N -2.25 0.47 -0.10 5.02 1.01 -0.21 0.42 120.40 124.75 3khy s VAL 14 Ca -0.07 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 3khy s VAL 14 Cb -0.02 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3khy s VAL 14 CO -0.01 0.07 0.34 -0.75 0.00 0.00 0.00 175.10 174.75 3khy s LYS 15 N 1.91 4.10 0.07 2.72 2.20 -0.60 -0.33 119.74 129.81 3khy s LYS 15 Ca 0.03 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3khy s LYS 15 Cb -0.14 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3khy s LYS 15 CO -0.07 0.41 -0.05 -0.59 -0.36 0.00 0.00 175.35 174.69 3khy s PHE 16 N -0.09 0.67 -0.16 4.03 -0.12 -0.47 -0.84 117.98 120.99 3khy s PHE 16 Ca 0.20 -0.88 -0.20 0.00 -0.05 0.00 0.00 56.93 56.00 3khy s PHE 16 Cb -0.14 -0.42 0.05 0.00 -0.63 0.00 0.00 43.02 41.87 3khy s PHE 16 CO 0.08 -0.23 0.53 0.00 -0.05 0.00 0.00 175.22 175.55 3khy s ALA 17 N -3.24 -1.34 -0.30 1.99 0.00 -0.49 -1.04 121.76 117.35 3khy s ALA 17 Ca 0.05 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 3khy s ALA 17 Cb 0.03 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3khy s ALA 17 CO -0.06 -0.27 0.10 -1.17 0.00 0.00 0.00 175.76 174.36 3khy s LEU 18 N -0.11 3.94 -0.04 0.00 2.96 0.95 0.06 118.68 126.43 3khy s LEU 18 Ca -0.03 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 3khy s LEU 18 Cb -0.03 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 3khy s LEU 18 CO 0.02 -0.20 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.05 3khy s ILE 19 N 1.53 1.48 -0.43 6.68 1.01 -0.33 -0.83 121.20 130.31 3khy s ILE 19 Ca 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3khy s ILE 19 Cb -0.17 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.05 3khy s ILE 19 CO 0.03 0.42 0.66 0.21 0.00 0.00 0.00 174.94 176.27 3khy s ASN 20 N 0.02 6.34 0.45 3.58 3.84 0.04 -0.15 114.94 129.06 3khy s ASN 20 Ca -0.04 -0.28 0.21 0.00 0.21 0.00 0.00 52.86 52.97 3khy s ASN 20 Cb -0.12 -2.33 1.06 0.00 -0.55 0.00 0.00 41.25 39.31 3khy s ASN 20 CO 0.02 -0.78 1.92 -0.65 -2.79 0.00 0.00 177.10 174.82 3khy h PRO 21 N 8.86 0.00 -0.00 0.43 0.11 -1.87 0.60 132.00 140.12 3khy h PRO 21 Ca -0.25 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.61 3khy h PRO 21 Cb 1.10 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.22 3khy h PRO 21 CO 0.90 0.24 -0.98 0.45 -0.21 0.00 0.00 178.00 178.39 3khy h HIS 22 N 0.00 0.80 0.00 0.65 3.86 -1.92 -3.29 115.15 115.25 3khy h HIS 22 Ca -0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3khy h HIS 22 Cb 0.56 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3khy h HIS 22 CO 0.00 1.26 -1.25 0.25 0.86 0.00 0.00 177.93 179.05 3khy n THR 23 N -3.79 0.06 -1.24 2.45 -2.24 -1.13 -4.97 114.28 103.43 3khy n THR 23 Ca -0.08 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 3khy n THR 23 Cb 0.85 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3khy n THR 23 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3khy n SER 24 N -1.86 -4.70 -4.81 3.42 7.64 0.21 -4.99 113.62 108.52 3khy n SER 24 Ca 0.01 0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.71 3khy n SER 24 Cb 0.43 -2.92 -0.06 0.00 -1.01 0.00 0.00 64.21 60.65 3khy n SER 24 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3khy s GLN 25 N -2.40 4.22 -0.46 1.43 -1.52 -1.13 -4.87 119.66 114.93 3khy s GLN 25 Ca 0.00 0.76 -0.18 0.00 -1.95 0.00 0.00 55.36 53.99 3khy s GLN 25 Cb 0.00 -3.22 0.04 0.00 -0.22 0.00 0.00 33.01 29.61 3khy s GLN 25 CO 0.00 0.62 0.53 0.45 -0.25 0.00 0.00 175.29 176.64 3khy s SER 26 N -1.15 6.22 0.01 5.90 0.15 -1.26 -0.78 113.70 122.79 3khy s SER 26 Ca 0.30 -0.76 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 3khy s SER 26 Cb -0.20 -2.26 -0.34 0.00 -1.71 0.00 0.00 66.02 61.51 3khy s SER 26 CO 0.20 -0.73 0.91 -0.07 1.20 0.00 0.00 173.24 174.75 3khy h LEU 27 N 9.35 0.78 -7.52 3.45 3.38 -1.37 -3.46 115.31 119.91 3khy h LEU 27 Ca -0.27 -0.91 -0.21 0.00 0.09 0.00 0.00 57.88 56.59 3khy h LEU 27 Cb 1.10 -0.25 -0.28 0.00 0.09 0.00 0.00 40.66 41.32 3khy h LEU 27 CO 0.88 1.73 -0.56 -0.69 0.09 0.00 0.00 178.44 179.89 3khy s VAL 28 N -2.60 -0.02 0.22 1.22 1.01 -1.21 -4.64 120.40 114.39 3khy s VAL 28 Ca -0.11 0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3khy s VAL 28 Cb 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 3khy s VAL 28 CO 0.92 0.02 -0.04 0.42 0.00 0.00 0.00 175.10 176.42 3khy s THR 29 N 0.45 1.23 -0.01 3.92 -4.23 -0.76 -0.03 115.64 116.20 3khy s THR 29 Ca -0.03 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 3khy s THR 29 Cb -0.04 -2.24 0.11 0.00 1.34 0.00 0.00 72.50 71.67 3khy s THR 29 CO -0.02 -0.42 1.29 -0.83 -0.54 0.00 0.00 174.62 174.09 3khy s GLY 30 N -3.31 -0.32 -0.26 3.99 0.00 -0.20 -0.49 107.32 106.73 3khy s GLY 30 Ca 0.26 0.48 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 3khy s GLY 30 CO 0.08 1.81 0.58 -2.27 0.00 0.00 0.00 173.10 173.29 3khy s LEU 31 N -3.24 -0.88 -0.11 0.66 2.96 -0.67 -1.37 118.68 116.03 3khy s LEU 31 Ca 0.19 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.29 3khy s LEU 31 Cb 0.03 1.99 -0.05 0.00 0.50 0.00 0.00 46.19 48.67 3khy s LEU 31 CO -0.03 -0.22 0.40 0.00 -1.32 0.00 0.00 176.35 175.18 3khy s ALA 32 N 2.44 3.56 0.16 5.97 0.00 0.55 -1.04 121.76 133.40 3khy s ALA 32 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3khy s ALA 32 Cb -0.10 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 3khy s ALA 32 CO -0.17 0.14 0.09 -1.83 0.00 0.00 0.00 175.76 173.98 3khy s GLU 33 N 0.20 1.04 -1.66 0.00 -1.05 -0.51 -1.05 118.70 115.67 3khy s GLU 33 Ca 0.22 -1.52 -0.02 0.00 -0.15 0.00 0.00 54.97 53.51 3khy s GLU 33 Cb -0.15 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 3khy s GLU 33 CO 0.09 -0.31 0.23 0.09 0.95 0.00 0.00 175.26 176.30 3khy n ASN 34 N -0.17 -5.84 -4.78 0.83 3.02 -1.06 -2.08 115.26 105.19 3khy n ASN 34 Ca -0.02 -0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 3khy n ASN 34 Cb 0.65 -4.81 -0.00 0.00 -0.61 0.00 0.00 39.78 35.00 3khy n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khy s ILE 35 N -3.07 2.14 -1.14 2.41 1.01 -0.87 -2.25 121.20 119.43 3khy s ILE 35 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3khy s ILE 35 Cb -0.05 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3khy s ILE 35 CO 0.15 0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.12 3khy n ALA 36 N 0.46 -0.32 -2.38 9.38 0.00 0.92 -4.86 120.51 123.71 3khy n ALA 36 Ca 0.01 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 3khy n ALA 36 Cb 0.40 -1.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 3khy n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3khy s THR 37 N -2.58 0.57 -0.67 0.00 -4.23 -0.96 -4.96 115.64 102.81 3khy s THR 37 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3khy s THR 37 Cb 0.00 -2.56 0.23 0.00 1.34 0.00 0.00 72.50 71.50 3khy s THR 37 CO 0.00 0.00 1.69 2.29 -0.54 0.00 0.00 174.62 178.06 3khy n LYS 38 N -0.62 0.15 -0.35 3.99 2.85 -1.26 -0.93 118.16 121.99 3khy n LYS 38 Ca -0.01 0.32 0.10 0.00 -1.05 0.00 0.00 58.31 57.67 3khy n LYS 38 Cb 0.66 -1.76 0.29 0.00 -0.65 0.00 0.00 35.03 33.57 3khy n LYS 38 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3khy n ASN 39 N -2.04 3.55 -4.67 -5.58 3.02 -1.26 -4.28 115.26 104.00 3khy n ASN 39 Ca 0.03 -2.04 -0.45 0.00 -0.03 0.00 0.00 54.58 52.09 3khy n ASN 39 Cb 0.26 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3khy n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khy s LYS 41 N -0.39 1.05 -0.12 0.00 -2.85 -0.88 -1.33 119.74 115.22 3khy s LYS 41 Ca 0.69 -0.34 0.01 0.00 -1.00 0.00 0.00 55.97 55.32 3khy s LYS 41 Cb -0.66 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 35.61 3khy s LYS 41 CO 0.50 -0.39 -0.12 0.08 0.10 0.00 0.00 175.35 175.51 3khy s VAL 42 N -2.79 1.33 -0.23 1.79 1.01 0.12 -1.43 120.40 120.21 3khy s VAL 42 Ca -0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3khy s VAL 42 Cb -0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3khy s VAL 42 CO -0.04 0.41 0.14 -0.69 0.00 0.00 0.00 175.10 174.92 3khy s VAL 43 N 1.34 5.27 -0.15 2.92 1.01 -0.20 -0.28 120.40 130.31 3khy s VAL 43 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3khy s VAL 43 Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3khy s VAL 43 CO -0.06 0.37 -0.08 -0.36 0.00 0.00 0.00 175.10 174.97 3khy s PHE 44 N 0.92 2.92 -0.32 5.22 0.08 0.13 -1.68 117.98 125.26 3khy s PHE 44 Ca 0.07 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 56.65 3khy s PHE 44 Cb -0.13 -1.92 0.09 0.00 -0.57 0.00 0.00 43.02 40.49 3khy s PHE 44 CO 0.03 -0.15 0.01 0.15 -0.10 0.00 0.00 175.22 175.16 3khy s LYS 45 N 0.43 1.79 0.00 0.44 1.02 0.36 -0.36 119.74 123.42 3khy s LYS 45 Ca -0.07 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.23 3khy s LYS 45 Cb -0.15 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3khy s LYS 45 CO 0.04 -0.83 0.00 0.00 -0.92 0.00 0.00 175.35 173.64 3khy n ALA 46 N 4.35 0.00 -0.19 5.17 0.00 -1.26 -1.83 120.51 126.74 3khy n ALA 46 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3khy n ALA 46 Cb 0.42 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.96 3khy n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3khy h GLU 47 N 0.00 0.46 -5.39 0.00 4.39 -1.97 -3.43 114.58 108.64 3khy h GLU 47 Ca 0.00 -0.03 -0.43 0.00 0.34 0.00 0.00 59.36 59.24 3khy h GLU 47 Cb 0.00 -0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 28.40 3khy h GLU 47 CO 0.00 0.30 -0.70 -1.01 -1.16 0.00 0.00 179.01 176.44 3khy s HIS 48 N -6.10 1.70 0.07 4.33 3.76 -1.26 -5.14 115.29 112.64 3khy s HIS 48 Ca -0.13 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 53.82 3khy s HIS 48 Cb 0.16 -0.89 -0.06 0.00 1.11 0.00 0.00 32.58 32.90 3khy s HIS 48 CO 0.74 0.22 0.81 0.21 -0.85 0.00 0.00 174.74 175.88 3khy s LYS 49 N -3.72 4.55 -0.06 1.40 2.20 -1.26 -4.51 119.74 118.34 3khy s LYS 49 Ca 0.25 1.16 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 3khy s LYS 49 Cb 0.02 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3khy s LYS 49 CO 0.08 0.28 -0.08 0.42 -0.36 0.00 0.00 175.35 175.69 3khy s ILE 50 N -0.09 0.81 -0.19 5.43 1.01 0.51 -5.00 121.20 123.68 3khy s ILE 50 Ca 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 3khy s ILE 50 Cb -0.21 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 3khy s ILE 50 CO 0.25 0.29 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 3khy s VAL 51 N 0.84 2.95 -0.22 2.92 1.01 -1.26 0.22 120.40 126.86 3khy s VAL 51 Ca -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3khy s VAL 51 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3khy s VAL 51 CO 0.01 0.48 -0.08 -0.54 0.00 0.00 0.00 175.10 174.97 3khy s LYS 52 N 1.16 3.22 0.13 2.72 1.02 0.62 -4.96 119.74 123.65 3khy s LYS 52 Ca 0.01 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 3khy s LYS 52 Cb -0.14 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.19 3khy s LYS 52 CO -0.04 -0.23 0.51 0.71 -0.92 0.00 0.00 175.35 175.39 3khy s TYR 53 N 1.42 3.60 -0.41 3.18 1.51 -1.26 0.15 117.35 125.53 3khy s TYR 53 Ca 0.05 0.99 0.04 0.00 -1.01 0.00 0.00 57.07 57.14 3khy s TYR 53 Cb -0.14 -2.31 0.17 0.00 -0.11 0.00 0.00 41.96 39.56 3khy s TYR 53 CO -0.06 0.45 0.42 -1.17 -1.11 0.00 0.00 175.55 174.08 3khy s LEU 54 N -1.96 0.23 0.07 -1.29 2.96 -0.44 -4.96 118.68 113.29 3khy s LEU 54 Ca 0.37 -2.14 -0.33 0.00 -0.22 0.00 0.00 54.13 51.80 3khy s LEU 54 Cb -0.15 0.42 -0.12 0.00 0.50 0.00 0.00 46.19 46.84 3khy s LEU 54 CO 0.19 -0.19 1.74 -0.62 -1.32 0.00 0.00 176.35 176.15 3khy n GLU 55 N 3.52 2.33 -1.43 1.98 1.02 -1.26 -0.64 120.64 126.17 3khy n GLU 55 Ca 0.19 0.85 -0.13 0.00 -0.02 0.00 0.00 57.16 58.04 3khy n GLU 55 Cb 0.47 -2.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.17 3khy n GLU 55 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3khy n ASN 56 N 5.00 -4.57 -4.74 1.62 3.02 -0.11 -4.95 115.26 110.53 3khy n ASN 56 Ca 0.19 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.63 3khy n ASN 56 Cb 0.31 -3.26 -0.02 0.00 -0.61 0.00 0.00 39.78 36.20 3khy n ASN 56 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3khy s GLY 57 N -2.84 1.90 0.71 7.41 0.00 0.19 -4.71 107.32 109.98 3khy s GLY 57 Ca 0.00 1.46 -0.04 0.00 0.00 0.00 0.00 44.72 46.14 3khy s GLY 57 CO 0.00 2.55 1.00 -1.35 0.00 0.00 0.00 173.10 175.30 3khy s SER 58 N 0.71 4.51 0.23 1.64 1.04 -1.26 -0.06 113.70 120.52 3khy s SER 58 Ca 0.66 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 3khy s SER 58 Cb -0.46 -0.57 0.26 0.00 0.10 0.00 0.00 66.02 65.36 3khy s SER 58 CO 0.40 -1.75 1.87 0.22 0.98 0.00 0.00 173.24 174.96 3khy h TYR 59 N -0.58 1.02 -0.58 5.02 3.20 -1.95 -1.47 116.97 121.63 3khy h TYR 59 Ca -0.41 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.43 3khy h TYR 59 Cb 1.28 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 3khy h TYR 59 CO -0.04 0.58 0.16 -0.22 -1.64 0.00 0.00 178.16 177.00 3khy h LYS 60 N 1.05 0.91 -0.78 1.82 3.64 -1.99 -1.84 116.57 119.37 3khy h LYS 60 Ca 0.34 -0.21 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3khy h LYS 60 Cb 0.02 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.66 3khy h LYS 60 CO -0.12 0.83 0.47 -0.44 -2.27 0.00 0.00 179.45 177.92 3khy h ASP 61 N 0.82 0.71 -0.17 4.20 3.32 -1.81 -0.60 116.42 122.89 3khy h ASP 61 Ca 0.18 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3khy h ASP 61 Cb 0.31 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3khy h ASP 61 CO -0.00 0.45 0.10 0.58 -1.72 0.00 0.00 179.24 178.65 3khy h VAL 62 N 0.84 1.08 -0.57 -1.35 2.07 -0.79 -2.70 116.25 114.83 3khy h VAL 62 Ca 0.35 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3khy h VAL 62 Cb 0.20 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3khy h VAL 62 CO -0.19 0.07 0.28 -0.26 0.02 0.00 0.00 177.57 177.49 3khy h PHE 63 N 0.20 0.80 0.00 1.57 0.04 -0.91 0.07 116.94 118.71 3khy h PHE 63 Ca 0.06 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3khy h PHE 63 Cb 0.03 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 37.92 3khy h PHE 63 CO -0.05 0.58 0.00 0.39 -0.60 0.00 0.00 178.31 178.63 3khy n GLU 64 N -4.36 0.44 0.00 1.51 1.02 -0.27 -1.13 120.64 117.84 3khy n GLU 64 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3khy n GLU 64 Cb 0.13 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3khy n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3khy n LEU 66 N 0.73 0.00 -0.07 -4.62 7.94 0.01 -1.17 117.00 119.83 3khy n LEU 66 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3khy n LEU 66 Cb 0.21 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 3khy n LEU 66 CO 0.00 0.00 0.91 0.50 -1.11 0.00 0.00 177.39 177.69 3khy h LYS 67 N 0.00 0.17 -0.71 1.96 3.64 -1.39 -1.23 116.57 119.01 3khy h LYS 67 Ca 0.00 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3khy h LYS 67 Cb 0.00 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.69 3khy h LYS 67 CO 0.00 0.12 0.25 -0.44 -2.27 0.00 0.00 179.45 177.10 3khy h ASP 68 N 0.18 0.19 -0.31 4.20 3.32 -1.41 0.21 116.42 122.80 3khy h ASP 68 Ca 0.12 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3khy h ASP 68 Cb 0.10 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3khy h ASP 68 CO -0.14 0.07 0.15 0.15 -1.72 0.00 0.00 179.24 177.75 3khy h PHE 69 N 0.38 0.45 -0.69 4.55 3.04 -1.72 -0.72 116.94 122.24 3khy h PHE 69 Ca 0.39 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 3khy h PHE 69 Cb 0.59 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 3khy h PHE 69 CO -0.19 0.40 0.29 -0.07 -2.02 0.00 0.00 178.31 176.72 3khy h LEU 70 N 0.37 0.91 0.26 0.59 3.38 -0.25 -1.33 115.31 119.25 3khy h LEU 70 Ca 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3khy h LEU 70 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3khy h LEU 70 CO -0.01 0.80 -0.13 0.58 0.09 0.00 0.00 178.44 179.77 3khy h VAL 71 N 0.99 0.72 -0.81 1.22 2.07 -0.83 0.35 116.25 119.95 3khy h VAL 71 Ca 0.24 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3khy h VAL 71 Cb 0.16 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3khy h VAL 71 CO -0.02 0.15 0.53 -0.33 0.02 0.00 0.00 177.57 177.91 3khy h GLU 72 N -0.81 0.73 -0.61 1.57 4.39 -1.01 -0.58 114.58 118.26 3khy h GLU 72 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3khy h GLU 72 Cb 0.51 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3khy h GLU 72 CO 0.06 0.49 0.00 0.09 -1.16 0.00 0.00 179.01 178.48 3khy n ASN 73 N -4.51 3.59 -3.73 1.42 3.02 -0.51 -4.95 115.26 109.58 3khy n ASN 73 Ca 0.14 -2.21 -0.25 0.00 -0.03 0.00 0.00 54.58 52.23 3khy n ASN 73 Cb 0.33 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 3khy n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3khy n LYS 74 N 1.01 -6.06 -0.08 3.52 5.02 -0.22 -4.91 118.16 116.45 3khy n LYS 74 Ca 0.20 0.68 -0.11 0.00 -2.02 0.00 0.00 58.31 57.07 3khy n LYS 74 Cb 0.64 -5.54 -0.15 0.00 -0.02 0.00 0.00 35.03 29.96 3khy n LYS 74 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3khy n HIS 75 N -4.59 0.35 -0.27 2.13 8.25 0.12 -4.63 115.22 116.58 3khy n HIS 75 Ca -0.09 0.12 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 3khy n HIS 75 Cb 0.59 -1.06 0.19 0.00 1.12 0.00 0.00 29.99 30.83 3khy n HIS 75 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3khy h LEU 76 N 0.00 0.41 -2.22 2.41 5.85 -1.75 0.92 115.31 120.93 3khy h LEU 76 Ca -0.47 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3khy h LEU 76 Cb 2.14 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.20 3khy h LEU 76 CO 0.03 0.18 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.97 3khy h GLU 77 N 0.54 0.00 0.00 1.25 4.39 -1.87 -2.45 114.58 116.44 3khy h GLU 77 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 3khy h GLU 77 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3khy h GLU 77 CO -0.36 0.02 -0.56 0.87 -1.16 0.00 0.00 179.01 177.82 3khy h LYS 78 N 0.00 0.00 -6.39 2.33 1.57 -1.09 -3.46 116.57 109.52 3khy h LYS 78 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3khy h LYS 78 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3khy h LYS 78 CO 0.00 0.00 0.56 0.42 -0.57 0.00 0.00 179.45 179.86 3khy s ILE 79 N -3.24 4.37 -0.34 1.86 1.01 -0.92 -1.03 121.20 122.91 3khy s ILE 79 Ca 0.05 1.70 0.12 0.00 0.00 0.00 0.00 60.65 62.51 3khy s ILE 79 Cb 0.10 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 3khy s ILE 79 CO 0.72 0.08 0.40 1.33 0.00 0.00 0.00 174.94 177.47 3khy n VAL 80 N 4.18 0.00 -3.59 2.92 0.24 -0.43 -4.89 118.33 116.77 3khy n VAL 80 Ca 0.09 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 3khy n VAL 80 Cb 0.48 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 3khy n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3khy s ALA 81 N -2.36 -1.89 -0.13 2.33 0.00 -1.26 -4.24 121.76 114.22 3khy s ALA 81 Ca 0.01 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.93 3khy s ALA 81 Cb 0.08 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.55 3khy s ALA 81 CO 0.48 -0.78 -0.22 0.42 0.00 0.00 0.00 175.76 175.66 3khy s ILE 82 N -2.93 2.05 -0.16 0.00 1.01 -0.88 -1.88 121.20 118.40 3khy s ILE 82 Ca 0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 3khy s ILE 82 Cb -0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3khy s ILE 82 CO -0.05 0.55 0.02 -0.83 0.00 0.00 0.00 174.94 174.62 3khy s GLY 83 N 0.73 1.82 -0.15 6.18 0.00 -0.04 -0.94 107.32 114.93 3khy s GLY 83 Ca -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 3khy s GLY 83 CO -0.00 -0.04 -0.07 0.30 0.00 0.00 0.00 173.10 173.28 3khy s HIS 84 N 0.27 2.94 -0.02 1.90 3.76 0.66 -0.74 115.29 124.05 3khy s HIS 84 Ca 0.01 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 3khy s HIS 84 Cb -0.13 -1.92 -0.05 0.00 1.11 0.00 0.00 32.58 31.59 3khy s HIS 84 CO 0.01 -0.13 1.35 0.50 -0.85 0.00 0.00 174.74 175.63 3khy s ARG 85 N 0.42 4.30 -0.14 1.40 3.52 -0.11 -1.37 118.95 126.97 3khy s ARG 85 Ca -0.06 1.88 0.01 0.00 -0.13 0.00 0.00 55.73 57.43 3khy s ARG 85 Cb -0.15 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.67 3khy s ARG 85 CO 0.04 -0.55 -0.15 0.08 -0.81 0.00 0.00 175.30 173.90 3khy s VAL 86 N 2.43 1.59 0.06 7.11 1.01 -0.53 -4.62 120.40 127.45 3khy s VAL 86 Ca 0.62 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 3khy s VAL 86 Cb -0.29 -1.47 -0.15 0.00 0.00 0.00 0.00 36.38 34.46 3khy s VAL 86 CO 0.25 0.46 1.58 0.58 0.00 0.00 0.00 175.10 177.97 3khy h VAL 87 N 6.01 1.15 -3.09 2.92 2.07 -1.91 -1.27 116.25 122.13 3khy h VAL 87 Ca -0.36 -0.45 -0.67 0.00 0.82 0.00 0.00 66.70 66.04 3khy h VAL 87 Cb 1.15 1.37 -0.35 0.00 -1.52 0.00 0.00 31.29 31.94 3khy h VAL 87 CO 0.52 0.12 -0.86 -2.28 0.02 0.00 0.00 177.57 175.09 3khy s HIS 88 N -5.48 2.75 -0.95 1.57 2.46 -1.26 -2.42 115.29 111.97 3khy s HIS 88 Ca -0.14 -1.59 0.10 0.00 0.47 0.00 0.00 55.06 53.90 3khy s HIS 88 Cb 0.05 -1.90 0.25 0.00 -0.13 0.00 0.00 32.58 30.86 3khy s HIS 88 CO 0.68 -0.77 1.17 0.41 -2.47 0.00 0.00 174.74 173.75 3khy n GLY 89 N 4.53 2.24 7.00 1.59 0.00 -1.26 -4.85 105.19 114.42 3khy n GLY 89 Ca -0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3khy n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khy n GLY 90 N 0.48 1.40 0.25 -0.02 0.00 -1.26 -1.76 105.19 104.27 3khy n GLY 90 Ca 0.10 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3khy n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3khy n GLN 91 N 7.27 1.33 0.03 1.61 6.02 -1.26 -4.09 117.38 128.30 3khy n GLN 91 Ca 0.00 -0.49 -0.19 0.00 -0.01 0.00 0.00 57.00 56.31 3khy n GLN 91 Cb 0.00 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 3khy n GLN 91 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3khy h TYR 92 N 1.12 1.02 -3.24 1.08 0.05 -1.77 -3.45 116.97 111.76 3khy h TYR 92 Ca 0.00 -0.53 -0.65 0.00 0.05 0.00 0.00 58.73 57.60 3khy h TYR 92 Cb 0.24 -0.12 -0.34 0.00 1.01 0.00 0.00 36.73 37.52 3khy h TYR 92 CO 0.02 1.37 -0.86 -0.06 -1.05 0.00 0.00 178.16 177.58 3khy s PHE 93 N -3.40 2.43 -0.56 4.88 0.08 -1.14 -4.94 117.98 115.33 3khy s PHE 93 Ca -0.10 -1.17 0.05 0.00 0.12 0.00 0.00 56.93 55.84 3khy s PHE 93 Cb 0.07 -1.67 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 3khy s PHE 93 CO 0.91 -0.54 0.79 -1.13 -0.10 0.00 0.00 175.22 175.15 3khy n SER 94 N 4.02 1.70 -3.40 1.36 3.41 -1.26 -4.29 113.62 115.16 3khy n SER 94 Ca -0.20 -1.43 -0.13 0.00 -0.26 0.00 0.00 58.87 56.85 3khy n SER 94 Cb 0.52 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 3khy n SER 94 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3khy s LYS 95 N -0.58 1.84 0.57 4.33 -2.85 -1.26 -4.66 119.74 117.13 3khy s LYS 95 Ca 0.07 -1.64 -0.16 0.00 -1.00 0.00 0.00 55.97 53.24 3khy s LYS 95 Cb 0.05 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 3khy s LYS 95 CO 0.06 -0.76 1.05 -1.12 0.10 0.00 0.00 175.35 174.68 3khy s SER 96 N -3.18 5.96 0.02 0.03 0.01 -1.26 -4.84 113.70 110.44 3khy s SER 96 Ca 0.28 1.80 -0.04 0.00 1.31 0.00 0.00 55.95 59.30 3khy s SER 96 Cb -0.00 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 3khy s SER 96 CO 0.17 -1.04 0.07 0.68 0.41 0.00 0.00 173.24 173.53 3khy s VAL 97 N -2.42 0.11 0.42 3.43 -7.23 -0.90 -4.99 120.40 108.82 3khy s VAL 97 Ca 0.63 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.61 3khy s VAL 97 Cb -0.15 -0.59 -0.09 0.00 0.56 0.00 0.00 36.38 36.11 3khy s VAL 97 CO 0.34 -0.52 1.39 -0.76 -0.31 0.00 0.00 175.10 175.24 3khy s LEU 98 N -1.72 4.20 -0.26 1.32 1.43 -1.26 -0.97 118.68 121.42 3khy s LEU 98 Ca -0.11 2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.54 3khy s LEU 98 Cb -0.05 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.31 3khy s LEU 98 CO -0.02 -0.98 1.14 -0.63 0.23 0.00 0.00 176.35 176.09 3khy s ILE 99 N -1.20 4.46 0.17 -0.59 -1.09 0.56 -4.69 121.20 118.81 3khy s ILE 99 Ca 0.57 1.72 -0.03 0.00 -2.23 0.00 0.00 60.65 60.69 3khy s ILE 99 Cb -0.42 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.22 3khy s ILE 99 CO 0.55 -0.31 0.27 -0.46 -1.23 0.00 0.00 174.94 173.76 3khy n ASN 100 N 6.75 -0.77 -0.28 3.58 0.23 -1.26 -4.71 115.26 118.80 3khy n ASN 100 Ca 0.13 -1.83 0.07 0.00 -0.53 0.00 0.00 54.58 52.42 3khy n ASN 100 Cb 0.46 1.37 0.22 0.00 -2.08 0.00 0.00 39.78 39.75 3khy n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3khy h ALA 101 N 1.81 1.18 0.08 -2.53 0.00 -1.99 -1.13 119.26 116.68 3khy h ALA 101 Ca -0.14 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3khy h ALA 101 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3khy h ALA 101 CO 0.18 -0.20 -0.04 0.22 0.00 0.00 0.00 179.25 179.41 3khy h ASP 102 N 0.48 -0.09 -0.11 0.00 3.58 -1.96 -1.80 116.42 116.52 3khy h ASP 102 Ca 0.45 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 3khy h ASP 102 Cb 0.71 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 3khy h ASP 102 CO -0.42 0.32 -0.14 0.77 -2.88 0.00 0.00 179.24 176.89 3khy h SER 103 N -0.51 0.45 -0.51 2.28 4.64 -1.78 -2.11 113.55 116.00 3khy h SER 103 Ca -0.01 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 3khy h SER 103 Cb 0.43 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3khy h SER 103 CO 0.02 0.62 -0.10 0.25 -0.87 0.00 0.00 176.83 176.75 3khy h LEU 104 N 0.43 0.98 -0.83 5.97 5.85 -1.17 0.50 115.31 127.04 3khy h LEU 104 Ca 0.08 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3khy h LEU 104 Cb 0.50 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3khy h LEU 104 CO 0.03 1.10 0.50 -0.08 -0.34 0.00 0.00 178.44 179.65 3khy h GLU 105 N 0.84 0.89 -0.22 1.25 4.81 -1.00 -0.13 114.58 121.01 3khy h GLU 105 Ca 0.13 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 3khy h GLU 105 Cb 0.66 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3khy h GLU 105 CO 0.05 0.59 -0.57 0.87 -0.73 0.00 0.00 179.01 179.21 3khy h LYS 106 N 0.91 0.78 -0.89 1.92 1.57 -0.89 -1.50 116.57 118.47 3khy h LYS 106 Ca 0.37 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3khy h LYS 106 Cb 0.19 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3khy h LYS 106 CO -0.18 1.16 0.56 0.82 -0.57 0.00 0.00 179.45 181.24 3khy h ILE 107 N 0.52 1.24 -0.69 1.86 2.04 -0.57 -1.55 117.51 120.36 3khy h ILE 107 Ca -0.01 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3khy h ILE 107 Cb 1.18 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3khy h ILE 107 CO 0.12 0.24 0.29 0.50 0.00 0.00 0.00 178.15 179.31 3khy h LYS 108 N 1.22 1.02 -0.04 2.37 3.64 -0.92 -1.96 116.57 121.89 3khy h LYS 108 Ca 0.32 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3khy h LYS 108 Cb -0.09 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3khy h LYS 108 CO -0.06 0.83 -0.05 0.00 -2.27 0.00 0.00 179.45 177.90 3khy h ALA 109 N 1.13 1.85 -0.00 5.00 0.00 -0.63 -2.04 119.26 124.56 3khy h ALA 109 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3khy h ALA 109 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3khy h ALA 109 CO -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.34 3khy h ILE 111 N 0.07 0.92 -0.69 0.00 2.04 -1.24 0.18 117.51 118.78 3khy h ILE 111 Ca 0.00 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3khy h ILE 111 Cb 0.19 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 3khy h ILE 111 CO 0.00 0.16 0.46 0.00 0.00 0.00 0.00 178.15 178.77 3khy h ALA 112 N 1.56 1.81 0.11 1.87 0.00 -1.75 0.13 119.26 122.98 3khy h ALA 112 Ca 0.45 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.07 3khy h ALA 112 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3khy h ALA 112 CO -0.22 0.07 -1.35 -0.07 0.00 0.00 0.00 179.25 177.68 3khy h LEU 113 N 0.64 0.35 -6.03 0.00 3.38 -1.24 -3.39 115.31 109.02 3khy h LEU 113 Ca 0.31 -0.43 -0.57 0.00 0.09 0.00 0.00 57.88 57.28 3khy h LEU 113 Cb 0.37 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 40.60 3khy h LEU 113 CO -0.10 1.34 -0.89 0.00 0.09 0.00 0.00 178.44 178.88 3khy n ALA 114 N -2.57 3.17 0.29 1.53 0.00 -0.35 -4.60 120.51 117.98 3khy n ALA 114 Ca -0.11 -4.01 0.16 0.00 0.00 0.00 0.00 53.44 49.48 3khy n ALA 114 Cb 1.02 -0.85 0.88 0.00 0.00 0.00 0.00 19.45 20.50 3khy n ALA 114 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3khy h PRO 115 N 3.93 0.00 -0.05 0.00 0.13 -0.97 -0.91 132.00 134.13 3khy h PRO 115 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3khy h PRO 115 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3khy h PRO 115 CO 0.63 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.73 3khy n LEU 116 N -3.45 1.20 0.04 1.56 4.77 -1.26 -4.55 117.00 115.31 3khy n LEU 116 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3khy n LEU 116 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3khy n LEU 116 CO 0.27 0.22 -0.17 1.41 -1.33 0.00 0.00 177.39 177.79 3khy n HIS 117 N -0.04 -0.46 0.22 -1.77 8.25 -0.43 -4.86 115.22 116.14 3khy n HIS 117 Ca 0.19 0.08 0.05 0.00 -0.26 0.00 0.00 57.72 57.77 3khy n HIS 117 Cb 0.29 0.21 0.48 0.00 1.12 0.00 0.00 29.99 32.09 3khy n HIS 117 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3khy h ASN 118 N 0.00 0.00 -0.52 0.41 4.21 -1.59 -2.87 115.58 115.23 3khy h ASN 118 Ca 0.00 -0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.57 3khy h ASN 118 Cb 0.34 -0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.49 3khy h ASN 118 CO 0.00 0.22 0.23 -0.65 -1.29 0.00 0.00 177.43 175.94 3khy h PRO 119 N 0.00 0.44 -0.52 0.81 0.11 -1.80 -1.47 132.00 129.58 3khy h PRO 119 Ca -0.00 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3khy h PRO 119 Cb 0.38 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3khy h PRO 119 CO 0.03 0.29 -0.10 0.00 -0.21 0.00 0.00 178.00 178.01 3khy h ALA 120 N 1.31 0.85 -0.49 -0.75 0.00 -1.81 -0.90 119.26 117.48 3khy h ALA 120 Ca 0.24 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3khy h ALA 120 Cb 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3khy h ALA 120 CO -0.20 0.65 0.23 0.45 0.00 0.00 0.00 179.25 180.38 3khy h HIS 121 N 0.85 0.42 -0.55 0.00 3.86 -1.44 -0.86 115.15 117.43 3khy h HIS 121 Ca 0.14 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 3khy h HIS 121 Cb 0.64 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 3khy h HIS 121 CO 0.04 0.19 -0.08 0.82 0.86 0.00 0.00 177.93 179.77 3khy h ILE 122 N 0.45 1.27 -0.55 2.45 2.04 -0.79 -1.09 117.51 121.29 3khy h ILE 122 Ca 0.22 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3khy h ILE 122 Cb 0.15 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3khy h ILE 122 CO -0.17 0.44 0.33 -0.08 0.00 0.00 0.00 178.15 178.67 3khy h GLU 123 N 0.91 0.64 -0.29 2.37 4.81 -0.86 -0.51 114.58 121.65 3khy h GLU 123 Ca 0.15 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3khy h GLU 123 Cb 0.63 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3khy h GLU 123 CO 0.04 0.42 0.12 0.78 -0.73 0.00 0.00 179.01 179.64 3khy h GLY 124 N 0.65 0.37 0.80 1.92 0.00 -0.77 -0.55 103.07 105.50 3khy h GLY 124 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.51 3khy h GLY 124 CO -0.10 0.05 0.41 -2.22 0.00 0.00 0.00 176.54 174.69 3khy h ILE 125 N 0.26 1.05 -0.47 2.60 2.04 -0.77 -1.37 117.51 120.84 3khy h ILE 125 Ca 0.13 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3khy h ILE 125 Cb 0.08 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3khy h ILE 125 CO -0.11 0.14 0.08 0.03 0.00 0.00 0.00 178.15 178.29 3khy h ARG 126 N 0.79 0.77 -0.91 2.37 3.08 -0.70 -0.97 114.38 118.82 3khy h ARG 126 Ca 0.29 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.17 3khy h ARG 126 Cb 0.08 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3khy h ARG 126 CO -0.13 0.78 0.59 0.74 -1.07 0.00 0.00 179.97 180.87 3khy h PHE 127 N 0.64 1.10 -0.34 3.04 0.04 -0.83 -2.04 116.94 118.56 3khy h PHE 127 Ca 0.14 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.84 3khy h PHE 127 Cb 0.38 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3khy h PHE 127 CO 0.03 0.63 -0.19 0.00 -0.60 0.00 0.00 178.31 178.17 3khy h GLN 129 N 0.56 1.16 -0.09 0.00 4.20 -0.80 0.34 115.11 120.47 3khy h GLN 129 Ca 0.09 -0.19 -0.21 0.00 0.06 0.00 0.00 58.65 58.39 3khy h GLN 129 Cb 0.64 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.23 3khy h GLN 129 CO 0.05 0.92 -0.81 1.96 -0.67 0.00 0.00 178.83 180.28 3khy h GLN 130 N 1.14 0.60 0.00 1.46 1.08 -0.85 -3.12 115.11 115.42 3khy h GLN 130 Ca 0.27 -0.52 -0.33 0.00 -1.45 0.00 0.00 58.65 56.61 3khy h GLN 130 Cb 0.17 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 3khy h GLN 130 CO -0.03 1.14 -2.15 -0.89 -0.95 0.00 0.00 178.83 175.95 3khy n ILE 131 N -3.87 1.40 -3.12 2.54 5.41 0.13 -4.44 119.36 117.42 3khy n ILE 131 Ca -0.07 -0.83 -0.25 0.00 1.00 0.00 0.00 62.75 62.61 3khy n ILE 131 Cb 0.76 -0.62 -0.05 0.00 -0.71 0.00 0.00 39.64 39.02 3khy n ILE 131 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3khy n PHE 132 N -2.82 2.86 0.07 1.39 3.72 0.12 -4.98 117.46 117.82 3khy n PHE 132 Ca -0.27 -3.96 0.10 0.00 -0.05 0.00 0.00 57.45 53.26 3khy n PHE 132 Cb 1.10 -0.48 0.55 0.00 -0.94 0.00 0.00 39.48 39.71 3khy n PHE 132 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3khy h PRO 133 N 3.33 0.25 -0.02 -1.08 0.13 -1.65 -2.65 132.00 130.31 3khy h PRO 133 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3khy h PRO 133 Cb 0.66 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3khy h PRO 133 CO 0.73 0.16 -0.08 0.39 -0.23 0.00 0.00 178.00 178.98 3khy n GLU 134 N -4.48 1.58 -3.18 0.86 -0.58 -1.26 -4.89 120.64 108.68 3khy n GLU 134 Ca 0.04 -1.02 -0.39 0.00 -0.42 0.00 0.00 57.16 55.36 3khy n GLU 134 Cb 0.22 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 3khy n GLU 134 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3khy s LEU 135 N -2.13 4.50 0.58 -4.62 1.43 -1.00 -5.06 118.68 112.37 3khy s LEU 135 Ca 0.33 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.54 3khy s LEU 135 Cb 0.20 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3khy s LEU 135 CO 0.38 0.18 1.18 -2.16 0.23 0.00 0.00 176.35 176.16 3khy s PRO 136 N -0.72 3.09 0.04 1.29 0.04 -1.26 -4.89 135.00 132.59 3khy s PRO 136 Ca 0.32 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.14 3khy s PRO 136 Cb -0.20 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3khy s PRO 136 CO 0.20 -1.09 -0.14 -0.65 0.04 0.00 0.00 177.00 175.36 3khy s GLN 137 N -3.35 0.90 -0.01 4.56 -0.21 -1.26 -2.08 119.66 118.21 3khy s GLN 137 Ca 0.75 -0.78 0.05 0.00 0.02 0.00 0.00 55.36 55.41 3khy s GLN 137 Cb -0.28 -0.91 -0.01 0.00 1.00 0.00 0.00 33.01 32.81 3khy s GLN 137 CO 0.31 0.22 -0.16 0.08 -2.12 0.00 0.00 175.29 173.62 3khy s VAL 138 N -0.91 1.28 -0.17 1.09 1.01 -0.12 -0.33 120.40 122.25 3khy s VAL 138 Ca 0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3khy s VAL 138 Cb -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3khy s VAL 138 CO 0.01 0.36 0.06 0.00 0.00 0.00 0.00 175.10 175.53 3khy s ALA 139 N -0.38 3.40 -0.21 5.51 0.00 -0.14 -0.25 121.76 129.69 3khy s ALA 139 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3khy s ALA 139 Cb -0.06 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.21 3khy s ALA 139 CO -0.01 0.22 -0.15 0.08 0.00 0.00 0.00 175.76 175.91 3khy s VAL 140 N 0.23 2.00 -0.15 0.00 1.01 -0.47 -2.12 120.40 120.91 3khy s VAL 140 Ca 0.04 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 3khy s VAL 140 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 3khy s VAL 140 CO 0.00 0.27 0.25 -0.36 0.00 0.00 0.00 175.10 175.27 3khy s PHE 141 N 1.25 3.50 -0.92 5.22 0.08 -1.26 -1.45 117.98 124.40 3khy s PHE 141 Ca -0.01 0.57 0.20 0.00 0.12 0.00 0.00 56.93 57.82 3khy s PHE 141 Cb -0.16 -2.24 0.85 0.00 -0.57 0.00 0.00 43.02 40.89 3khy s PHE 141 CO -0.09 0.36 1.64 -0.25 -0.10 0.00 0.00 175.22 176.78 3khy n ASP 142 N 3.16 0.13 0.06 1.36 8.00 -0.48 -2.14 116.55 126.64 3khy n ASP 142 Ca -0.14 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.00 3khy n ASP 142 Cb 0.52 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 3khy n ASP 142 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3khy n THR 143 N -1.63 0.39 -0.13 -3.53 -2.24 -1.10 -0.36 114.28 105.67 3khy n THR 143 Ca 0.04 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 3khy n THR 143 Cb 0.24 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3khy n THR 143 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khy h ALA 144 N 2.17 0.52 -0.11 6.98 0.00 -1.62 -2.28 119.26 124.92 3khy h ALA 144 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3khy h ALA 144 Cb 0.92 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3khy h ALA 144 CO 0.00 -0.22 0.03 0.35 0.00 0.00 0.00 179.25 179.41 3khy h PHE 145 N 0.33 0.15 -0.01 0.00 3.57 -1.80 -1.99 116.94 117.20 3khy h PHE 145 Ca 0.20 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3khy h PHE 145 Cb 0.18 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3khy h PHE 145 CO -0.15 0.14 -0.01 0.72 -2.23 0.00 0.00 178.31 176.78 3khy n HIS 146 N -4.47 0.00 0.38 0.41 8.25 -0.86 -3.98 115.22 114.95 3khy n HIS 146 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 3khy n HIS 146 Cb 0.12 -0.01 0.24 0.00 1.12 0.00 0.00 29.99 31.46 3khy n HIS 146 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3khy n GLN 147 N -0.21 0.00 -2.63 -0.41 1.13 -0.75 -4.92 117.38 109.60 3khy n GLN 147 Ca 0.20 0.31 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 3khy n GLN 147 Cb 0.28 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 3khy n GLN 147 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3khy s THR 148 N -3.00 3.92 0.20 5.09 -4.23 -1.26 -5.10 115.64 111.27 3khy s THR 148 Ca 0.05 -0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.55 3khy s THR 148 Cb 0.07 -4.90 -0.05 0.00 1.34 0.00 0.00 72.50 68.97 3khy s THR 148 CO 0.20 -1.79 -0.14 -2.16 -0.54 0.00 0.00 174.62 170.19 3khy s PRO 150 N 5.12 1.30 0.28 3.99 0.04 -1.26 -4.84 135.00 139.63 3khy s PRO 150 Ca 0.35 -1.57 -0.03 0.00 0.04 0.00 0.00 61.00 59.79 3khy s PRO 150 Cb -0.08 -1.07 0.40 0.00 0.04 0.00 0.00 34.50 33.79 3khy s PRO 150 CO 0.07 0.18 1.94 0.77 0.04 0.00 0.00 177.00 180.00 3khy h SER 151 N 2.60 1.01 0.54 6.66 0.02 -1.98 -0.55 113.55 121.83 3khy h SER 151 Ca -0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3khy h SER 151 Cb 1.22 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3khy h SER 151 CO 0.62 0.71 0.00 0.00 -1.14 0.00 0.00 176.83 177.02 3khy n TYR 152 N -4.42 0.37 -0.12 3.45 0.18 -1.26 -0.87 117.16 114.50 3khy n TYR 152 Ca 0.11 0.15 -0.19 0.00 1.88 0.00 0.00 57.90 59.86 3khy n TYR 152 Cb 0.06 -0.74 -0.10 0.00 -0.38 0.00 0.00 39.34 38.18 3khy n TYR 152 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 3khy n ILE 153 N -1.85 1.30 0.09 -3.48 5.41 -0.63 -4.69 119.36 115.51 3khy n ILE 153 Ca 0.02 -0.45 -0.11 0.00 1.00 0.00 0.00 62.75 63.21 3khy n ILE 153 Cb 0.18 -1.45 -0.09 0.00 -0.71 0.00 0.00 39.64 37.56 3khy n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3khy h ALA 154 N -0.24 0.29 -2.42 -1.39 0.00 -0.94 -3.46 119.26 111.10 3khy h ALA 154 Ca -0.54 -0.84 -0.47 0.00 0.00 0.00 0.00 54.91 53.06 3khy h ALA 154 Cb 1.71 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.46 3khy h ALA 154 CO -0.16 1.03 0.39 -1.21 0.00 0.00 0.00 179.25 179.30 3khy s GLU 155 N -2.84 4.12 0.50 0.00 2.02 -0.05 -0.76 118.70 121.70 3khy s GLU 155 Ca -0.02 1.42 -0.03 0.00 0.02 0.00 0.00 54.97 56.36 3khy s GLU 155 Cb 0.09 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 3khy s GLU 155 CO 0.85 -0.16 0.77 0.71 0.02 0.00 0.00 175.26 177.45 3khy s TYR 156 N -1.78 3.31 -1.23 1.61 2.02 -1.26 -4.91 117.35 115.10 3khy s TYR 156 Ca 0.60 0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 57.67 3khy s TYR 156 Cb -0.19 -2.45 0.17 0.00 -0.40 0.00 0.00 41.96 39.08 3khy s TYR 156 CO 0.24 -0.50 1.55 0.00 -1.57 0.00 0.00 175.55 175.27 3khy n ALA 157 N -2.29 4.25 -2.28 3.71 0.00 -1.26 -4.92 120.51 117.72 3khy n ALA 157 Ca 0.02 -4.26 -0.16 0.00 0.00 0.00 0.00 53.44 49.04 3khy n ALA 157 Cb 0.57 -3.04 -0.10 0.00 0.00 0.00 0.00 19.45 16.88 3khy n ALA 157 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3khy s ILE 158 N 1.31 0.27 0.16 0.00 -4.36 -1.26 -5.12 121.20 112.20 3khy s ILE 158 Ca 0.42 -2.00 -0.34 0.00 -0.26 0.00 0.00 60.65 58.48 3khy s ILE 158 Cb 0.00 -2.55 -0.15 0.00 1.25 0.00 0.00 42.46 41.02 3khy s ILE 158 CO 0.00 0.00 1.30 -2.65 0.24 0.00 0.00 174.94 173.84 3khy n PRO 159 N -0.45 1.44 -0.32 0.37 -0.02 -1.26 -4.82 135.00 129.94 3khy n PRO 159 Ca 0.01 0.52 0.17 0.00 -2.02 0.00 0.00 63.50 62.18 3khy n PRO 159 Cb 0.65 -2.11 0.33 0.00 -0.02 0.00 0.00 33.50 32.35 3khy n PRO 159 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3khy h TYR 160 N 4.13 0.19 -0.33 6.00 5.03 -1.99 -1.09 116.97 128.92 3khy h TYR 160 Ca -0.45 0.06 -0.07 0.00 2.58 0.00 0.00 58.73 60.86 3khy h TYR 160 Cb 1.32 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.65 3khy h TYR 160 CO 0.57 -0.38 -0.08 1.49 -1.32 0.00 0.00 178.16 178.44 3khy h GLU 161 N 0.06 0.54 -0.37 1.82 4.81 -1.98 -0.16 114.58 119.30 3khy h GLU 161 Ca 0.62 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.57 3khy h GLU 161 Cb 1.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3khy h GLU 161 CO -0.82 0.63 -0.28 -0.07 -0.73 0.00 0.00 179.01 177.73 3khy h LEU 162 N 0.51 0.89 -0.28 1.64 3.38 -1.57 0.41 115.31 120.29 3khy h LEU 162 Ca 0.10 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3khy h LEU 162 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3khy h LEU 162 CO 0.02 1.14 0.15 0.74 0.09 0.00 0.00 178.44 180.59 3khy h THR 163 N 0.65 1.13 0.00 0.22 2.02 -1.06 -2.52 112.91 113.35 3khy h THR 163 Ca 0.07 -0.34 -0.43 0.00 0.77 0.00 0.00 66.41 66.48 3khy h THR 163 Cb 0.85 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3khy h THR 163 CO 0.07 0.13 -2.42 1.41 0.37 0.00 0.00 175.52 175.08 3khy n HIS 164 N -4.82 0.12 -0.10 3.16 8.25 -0.11 -2.50 115.22 119.21 3khy n HIS 164 Ca -0.02 0.04 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 3khy n HIS 164 Cb 0.08 -1.01 0.01 0.00 1.12 0.00 0.00 29.99 30.19 3khy n HIS 164 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3khy h LYS 165 N -0.71 0.87 -0.46 -0.41 3.64 -1.10 -3.29 116.57 115.11 3khy h LYS 165 Ca -0.64 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.31 3khy h LYS 165 Cb 1.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 3khy h LYS 165 CO -0.31 1.08 0.00 0.72 -2.27 0.00 0.00 179.45 178.67 3khy n HIS 166 N -4.06 0.60 -2.36 1.91 8.25 -1.13 -4.98 115.22 113.45 3khy n HIS 166 Ca -0.02 -0.42 -0.16 0.00 -0.26 0.00 0.00 57.72 56.86 3khy n HIS 166 Cb 0.52 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 3khy n HIS 166 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3khy n ASN 167 N 1.04 -4.83 -4.63 0.41 3.02 -1.04 -4.93 115.26 104.30 3khy n ASN 167 Ca 0.17 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.40 3khy n ASN 167 Cb 0.51 -4.08 -0.03 0.00 -0.61 0.00 0.00 39.78 35.57 3khy n ASN 167 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khy s ILE 168 N -2.79 4.64 0.16 2.41 1.01 -0.96 -4.96 121.20 120.71 3khy s ILE 168 Ca 0.00 1.57 -0.23 0.00 0.00 0.00 0.00 60.65 61.98 3khy s ILE 168 Cb 0.00 -4.30 0.08 0.00 0.01 0.00 0.00 42.46 38.25 3khy s ILE 168 CO 0.00 -0.35 1.03 0.00 0.00 0.00 0.00 174.94 175.62 3khy s ARG 169 N 3.32 1.23 -0.05 2.79 1.70 -1.26 -4.28 118.95 122.40 3khy s ARG 169 Ca 0.40 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.60 3khy s ARG 169 Cb -0.13 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3khy s ARG 169 CO 0.13 -0.57 1.09 0.21 -1.08 0.00 0.00 175.30 175.08 3khy s LYS 170 N -2.50 4.43 -0.09 3.89 2.20 0.06 -3.69 119.74 124.04 3khy s LYS 170 Ca 0.19 1.54 0.08 0.00 -0.36 0.00 0.00 55.97 57.41 3khy s LYS 170 Cb -0.02 -3.51 -0.11 0.00 -1.51 0.00 0.00 37.83 32.68 3khy s LYS 170 CO 0.04 -0.30 0.03 0.66 -0.36 0.00 0.00 175.35 175.42 3khy n TYR 171 N 4.73 0.00 -0.51 4.03 4.01 0.91 -4.86 117.16 125.46 3khy n TYR 171 Ca 0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.87 3khy n TYR 171 Cb 0.48 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 3khy n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3khy n GLY 172 N 2.45 -2.17 0.00 2.72 0.00 -0.45 -4.68 105.19 103.05 3khy n GLY 172 Ca -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3khy n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khy n ALA 173 N -1.22 0.00 -1.43 4.61 0.00 -1.26 -4.55 120.51 116.67 3khy n ALA 173 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3khy n ALA 173 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 3khy n ALA 173 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3khy n HIS 174 N 0.00 -0.23 -0.33 0.00 8.25 -1.24 -4.85 115.22 116.82 3khy n HIS 174 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 3khy n HIS 174 Cb 0.00 -2.83 0.26 0.00 1.12 0.00 0.00 29.99 28.53 3khy n HIS 174 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3khy h GLY 175 N 0.00 1.46 1.03 -1.41 0.00 -1.00 -1.18 103.07 101.98 3khy h GLY 175 Ca -0.31 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 3khy h GLY 175 CO 0.45 0.20 0.05 -0.84 0.00 0.00 0.00 176.54 176.41 3khy h THR 176 N 0.97 1.26 0.12 4.70 2.02 -1.79 0.13 112.91 120.31 3khy h THR 176 Ca 0.45 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3khy h THR 176 Cb 0.42 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3khy h THR 176 CO -0.21 0.38 -0.06 -1.28 0.37 0.00 0.00 175.52 174.72 3khy h SER 177 N 0.85 -0.14 -0.61 4.18 0.87 -1.77 -0.69 113.55 116.23 3khy h SER 177 Ca 0.17 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3khy h SER 177 Cb 0.48 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 3khy h SER 177 CO 0.02 -0.07 0.37 0.45 -0.53 0.00 0.00 176.83 177.07 3khy h HIS 178 N -0.19 0.82 0.25 2.24 -0.00 -0.99 0.11 115.15 117.39 3khy h HIS 178 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 3khy h HIS 178 Cb 0.15 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3khy h HIS 178 CO -0.06 0.55 -0.12 -0.22 -0.00 0.00 0.00 177.93 178.08 3khy h LYS 179 N 0.86 -0.32 -0.10 2.45 3.64 -0.88 -1.69 116.57 120.53 3khy h LYS 179 Ca 0.23 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3khy h LYS 179 Cb -0.03 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3khy h LYS 179 CO -0.04 -0.00 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.10 3khy h TYR 180 N -0.68 -0.28 -0.53 1.91 3.20 -0.78 -1.35 116.97 118.46 3khy h TYR 180 Ca -0.03 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 3khy h TYR 180 Cb 0.47 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3khy h TYR 180 CO 0.03 -0.17 -0.08 0.28 -1.64 0.00 0.00 178.16 176.57 3khy h VAL 181 N -0.14 1.26 -0.26 1.81 2.07 -0.85 0.08 116.25 120.21 3khy h VAL 181 Ca 0.08 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.25 3khy h VAL 181 Cb 0.25 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3khy h VAL 181 CO -0.19 0.43 -0.39 0.77 0.02 0.00 0.00 177.57 178.21 3khy h SER 182 N 0.87 0.65 -0.58 0.57 4.64 -1.19 0.02 113.55 118.53 3khy h SER 182 Ca 0.14 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 3khy h SER 182 Cb 0.62 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3khy h SER 182 CO 0.04 0.96 0.05 -0.33 -0.87 0.00 0.00 176.83 176.68 3khy h GLU 183 N 0.51 0.99 -0.88 4.77 5.08 -1.03 -2.00 114.58 122.02 3khy h GLU 183 Ca 0.05 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3khy h GLU 183 Cb 0.89 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 3khy h GLU 183 CO 0.08 0.97 0.55 1.96 -1.00 0.00 0.00 179.01 181.56 3khy h GLN 184 N 0.89 1.18 -0.37 2.33 1.08 -0.64 -1.72 115.11 117.85 3khy h GLN 184 Ca 0.17 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3khy h GLN 184 Cb 0.49 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 3khy h GLN 184 CO 0.02 0.81 0.23 0.00 -0.95 0.00 0.00 178.83 178.94 3khy h ALA 185 N 1.30 0.46 -0.92 3.87 0.00 -0.79 -0.56 119.26 122.63 3khy h ALA 185 Ca 0.32 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3khy h ALA 185 Cb -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3khy h ALA 185 CO -0.06 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.72 3khy h ALA 186 N 1.12 1.16 0.13 0.00 0.00 -1.07 -0.03 119.26 120.56 3khy h ALA 186 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3khy h ALA 186 Cb -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3khy h ALA 186 CO -0.03 0.58 -0.06 0.87 0.00 0.00 0.00 179.25 180.61 3khy h LYS 187 N 1.25 -0.17 -0.87 0.00 1.57 -0.91 0.34 116.57 117.77 3khy h LYS 187 Ca 0.33 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3khy h LYS 187 Cb -0.12 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3khy h LYS 187 CO -0.07 -0.08 0.58 0.82 -0.57 0.00 0.00 179.45 180.13 3khy h ILE 188 N -0.21 1.21 -0.02 1.86 2.04 -0.84 -1.82 117.51 119.73 3khy h ILE 188 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3khy h ILE 188 Cb 0.16 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3khy h ILE 188 CO 0.03 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.57 3khy n LEU 189 N -4.48 0.36 -3.85 1.44 4.77 -0.05 -4.92 117.00 110.27 3khy n LEU 189 Ca 0.10 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 3khy n LEU 189 Cb 0.02 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3khy n LEU 189 CO 0.36 0.07 -0.12 0.35 -1.33 0.00 0.00 177.39 176.72 3khy n THR 190 N -0.62 -3.51 -4.23 -5.08 -2.24 -0.16 -5.00 114.28 93.44 3khy n THR 190 Ca 0.18 -0.43 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 3khy n THR 190 Cb 0.14 -3.14 -0.10 0.00 -2.10 0.00 0.00 70.33 65.13 3khy n THR 190 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3khy s GLN 191 N -6.32 2.11 0.20 -0.78 -1.52 0.10 -5.02 119.66 108.44 3khy s GLN 191 Ca 0.10 -1.04 -0.07 0.00 -1.95 0.00 0.00 55.36 52.40 3khy s GLN 191 Cb -0.05 -2.29 0.14 0.00 -0.22 0.00 0.00 33.01 30.59 3khy s GLN 191 CO 0.85 0.50 1.68 0.37 -0.25 0.00 0.00 175.29 178.44 3khy h GLN 192 N 3.58 1.01 -4.13 2.91 4.15 -1.95 -3.39 115.11 117.29 3khy h GLN 192 Ca -0.49 -0.30 -0.20 0.00 0.77 0.00 0.00 58.65 58.43 3khy h GLN 192 Cb 1.17 -0.10 -0.21 0.00 0.21 0.00 0.00 27.48 28.55 3khy h GLN 192 CO 0.52 0.98 -0.71 0.15 -1.93 0.00 0.00 178.83 177.84 3khy s LYS 193 N -5.03 0.37 0.06 1.69 -0.14 -1.26 -4.98 119.74 110.45 3khy s LYS 193 Ca -0.11 -0.66 -0.15 0.00 -1.36 0.00 0.00 55.97 53.69 3khy s LYS 193 Cb 0.14 0.01 -0.06 0.00 -1.68 0.00 0.00 37.83 36.24 3khy s LYS 193 CO 0.85 -0.03 0.47 0.00 -0.76 0.00 0.00 175.35 175.88 3khy s ALA 194 N -1.49 3.66 -0.55 5.17 0.00 -1.26 -4.71 121.76 122.57 3khy s ALA 194 Ca -0.14 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3khy s ALA 194 Cb -0.10 -2.44 0.14 0.00 0.00 0.00 0.00 23.12 20.72 3khy s ALA 194 CO -0.01 0.47 0.31 -0.80 0.00 0.00 0.00 175.76 175.73 3khy s ASN 195 N -1.34 4.37 0.06 0.00 0.01 -1.26 -0.44 114.94 116.35 3khy s ASN 195 Ca 0.29 -3.17 -0.01 0.00 -0.71 0.00 0.00 52.86 49.26 3khy s ASN 195 Cb -0.16 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 3khy s ASN 195 CO 0.16 -0.20 -0.02 0.68 -1.51 0.00 0.00 177.10 176.22 3khy s VAL 196 N -0.51 0.20 -0.18 1.60 -7.23 -0.47 -0.52 120.40 113.30 3khy s VAL 196 Ca 0.19 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 3khy s VAL 196 Cb -0.21 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3khy s VAL 196 CO -0.04 -0.92 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.19 3khy s ILE 197 N -3.94 3.97 -0.20 -0.62 1.01 -0.78 -0.72 121.20 119.92 3khy s ILE 197 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 3khy s ILE 197 Cb 0.08 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3khy s ILE 197 CO -0.08 0.45 -0.08 -0.69 0.00 0.00 0.00 174.94 174.54 3khy s VAL 198 N 0.76 3.14 -0.48 2.92 1.01 -0.46 -0.21 120.40 127.09 3khy s VAL 198 Ca -0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 3khy s VAL 198 Cb -0.14 -2.40 0.11 0.00 0.00 0.00 0.00 36.38 33.95 3khy s VAL 198 CO 0.02 0.46 0.38 0.00 0.00 0.00 0.00 175.10 175.95 3khy s ALA 199 N 1.24 3.46 -0.56 5.51 0.00 0.63 -1.38 121.76 130.67 3khy s ALA 199 Ca 0.03 -2.43 -0.23 0.00 0.00 0.00 0.00 51.96 49.33 3khy s ALA 199 Cb -0.14 -2.93 0.05 0.00 0.00 0.00 0.00 23.12 20.09 3khy s ALA 199 CO -0.03 -1.87 0.88 -1.58 0.00 0.00 0.00 175.76 173.16 3khy s HIS 200 N 1.46 2.83 -0.27 0.00 2.46 0.36 -1.42 115.29 120.71 3khy s HIS 200 Ca 0.04 -0.19 -0.03 0.00 0.47 0.00 0.00 55.06 55.36 3khy s HIS 200 Cb -0.26 -4.00 0.02 0.00 -0.13 0.00 0.00 32.58 28.21 3khy s HIS 200 CO 0.01 -1.33 -0.02 -0.51 -2.47 0.00 0.00 174.74 170.43 3khy s LEU 201 N 3.70 3.44 0.00 8.88 1.43 0.05 -1.02 118.68 135.16 3khy s LEU 201 Ca 0.26 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3khy s LEU 201 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3khy s LEU 201 CO 0.17 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3khy n GLY 202 N 4.71 4.18 0.23 -3.19 0.00 -1.26 -0.40 105.19 109.45 3khy n GLY 202 Ca -0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 3khy n GLY 202 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khy h ASN 203 N 0.00 0.53 -2.88 1.61 2.35 -1.96 -3.39 115.58 111.85 3khy h ASN 203 Ca 0.00 0.01 -0.61 0.00 -0.55 0.00 0.00 56.30 55.15 3khy h ASN 203 Cb 0.00 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3khy h ASN 203 CO 0.00 0.37 -0.50 -0.83 -1.65 0.00 0.00 177.43 174.82 3khy s GLY 204 N -2.80 2.11 -0.03 2.83 0.00 -1.26 -1.37 107.32 106.80 3khy s GLY 204 Ca -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3khy s GLY 204 CO 0.75 -0.86 -0.08 0.00 0.00 0.00 0.00 173.10 172.91 3khy s SER 206 N 0.31 -0.10 -0.02 0.00 1.04 -0.19 -4.34 113.70 110.39 3khy s SER 206 Ca -0.04 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 3khy s SER 206 Cb -0.09 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3khy s SER 206 CO 0.00 -0.96 0.10 -0.51 0.98 0.00 0.00 173.24 172.85 3khy s ILE 207 N -3.92 0.03 -0.00 -1.02 2.07 -1.26 -0.48 121.20 116.62 3khy s ILE 207 Ca 0.13 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 3khy s ILE 207 Cb 0.01 -0.24 0.01 0.00 0.13 0.00 0.00 42.46 42.37 3khy s ILE 207 CO -0.02 -0.16 0.01 -0.89 -1.91 0.00 0.00 174.94 171.97 3khy s THR 208 N -0.49 -0.01 -0.22 4.00 2.01 -0.48 -1.44 115.64 119.01 3khy s THR 208 Ca -0.06 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 3khy s THR 208 Cb -0.04 -0.03 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 3khy s THR 208 CO 0.00 0.02 0.44 0.00 -0.69 0.00 0.00 174.62 174.39 3khy s ALA 209 N 0.24 3.56 -0.24 7.40 0.00 -0.22 -1.35 121.76 131.14 3khy s ALA 209 Ca -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3khy s ALA 209 Cb -0.03 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.39 3khy s ALA 209 CO -0.01 -0.45 -0.06 0.08 0.00 0.00 0.00 175.76 175.32 3khy s VAL 210 N 1.65 2.95 -0.16 0.00 1.01 0.10 -0.86 120.40 125.09 3khy s VAL 210 Ca 0.20 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3khy s VAL 210 Cb -0.15 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 3khy s VAL 210 CO 0.09 0.24 -0.14 -0.69 0.00 0.00 0.00 175.10 174.60 3khy s VAL 211 N 1.35 2.80 -1.62 2.92 1.01 0.06 -1.36 120.40 125.56 3khy s VAL 211 Ca 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 3khy s VAL 211 Cb -0.16 -2.20 0.12 0.00 0.00 0.00 0.00 36.38 34.15 3khy s VAL 211 CO -0.04 0.51 0.85 0.47 0.00 0.00 0.00 175.10 176.89 3khy n ASP 212 N 4.07 -3.78 0.00 3.32 8.00 -0.91 -1.67 116.55 125.59 3khy n ASP 212 Ca -0.19 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3khy n ASP 212 Cb 0.52 -3.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 3khy n ASP 212 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3khy n GLY 213 N -1.54 1.94 3.49 0.44 0.00 0.42 -4.72 105.19 105.21 3khy n GLY 213 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3khy n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khy s LYS 214 N -0.27 2.67 0.15 1.61 1.02 -0.67 -4.89 119.74 119.37 3khy s LYS 214 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 3khy s LYS 214 Cb 0.00 -2.46 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 3khy s LYS 214 CO 0.00 0.58 1.79 0.45 -0.92 0.00 0.00 175.35 177.25 3khy s SER 215 N -0.61 6.41 -0.05 2.83 0.15 -1.26 -0.76 113.70 120.40 3khy s SER 215 Ca 0.09 2.79 0.09 0.00 0.70 0.00 0.00 55.95 59.62 3khy s SER 215 Cb -0.11 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.48 3khy s SER 215 CO 0.01 -0.99 0.13 0.00 1.20 0.00 0.00 173.24 173.59 3khy n ILE 216 N 4.49 0.33 -3.54 6.45 3.06 -0.04 -4.49 119.36 125.62 3khy n ILE 216 Ca 0.17 -0.32 -0.16 0.00 -2.50 0.00 0.00 62.75 59.95 3khy n ILE 216 Cb 0.37 -0.25 -0.05 0.00 0.54 0.00 0.00 39.64 40.25 3khy n ILE 216 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3khy s ASP 217 N -3.67 -0.56 0.16 9.51 -1.08 -1.22 -4.48 116.67 115.33 3khy s ASP 217 Ca -0.04 0.44 -0.18 0.00 -0.52 0.00 0.00 52.55 52.25 3khy s ASP 217 Cb 0.05 0.52 0.04 0.00 -1.46 0.00 0.00 42.92 42.06 3khy s ASP 217 CO 0.40 -0.67 0.48 0.28 0.52 0.00 0.00 175.17 176.18 3khy s THR 218 N -1.86 0.04 -0.32 1.71 -1.32 -1.26 -1.06 115.64 111.57 3khy s THR 218 Ca -0.08 -0.57 -0.02 0.00 -1.21 0.00 0.00 61.69 59.82 3khy s THR 218 Cb -0.01 -1.30 0.16 0.00 -1.51 0.00 0.00 72.50 69.84 3khy s THR 218 CO 0.03 -0.19 2.21 -1.54 -2.21 0.00 0.00 174.62 172.93 3khy n SER 219 N -0.29 6.38 0.00 8.08 3.41 -0.52 -4.94 113.62 125.73 3khy n SER 219 Ca -0.14 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 3khy n SER 219 Cb 0.63 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 3khy n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khy n GLY 221 N 0.58 3.89 0.37 5.00 0.00 -1.26 -3.26 105.19 110.50 3khy n GLY 221 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.05 3khy n GLY 221 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3khy h LEU 222 N 0.00 0.98 -9.01 0.99 5.85 -1.91 0.29 115.31 112.51 3khy h LEU 222 Ca 0.00 -0.01 -0.40 0.00 0.84 0.00 0.00 57.88 58.31 3khy h LEU 222 Cb 0.00 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 40.67 3khy h LEU 222 CO 0.00 0.67 -0.59 0.42 -0.34 0.00 0.00 178.44 178.60 3khy s THR 223 N -5.97 0.58 -2.00 1.05 -4.23 -1.26 -4.63 115.64 99.18 3khy s THR 223 Ca -0.12 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.45 3khy s THR 223 Cb 0.19 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.61 3khy s THR 223 CO 0.80 0.00 0.79 -2.65 -0.54 0.00 0.00 174.62 173.02 3khy n PRO 224 N -0.57 0.41 0.11 3.99 -0.02 -1.26 -3.37 135.00 134.29 3khy n PRO 224 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 3khy n PRO 224 Cb 0.66 -1.24 0.12 0.00 -0.02 0.00 0.00 33.50 33.02 3khy n PRO 224 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3khy h LEU 225 N 0.00 0.09-10.35 2.45 5.85 -1.96 -3.47 115.31 107.92 3khy h LEU 225 Ca 0.00 -0.06 -0.51 0.00 0.84 0.00 0.00 57.88 58.15 3khy h LEU 225 Cb 0.00 -0.03 0.06 0.00 0.37 0.00 0.00 40.66 41.06 3khy h LEU 225 CO 0.00 0.73 0.37 -0.62 -0.34 0.00 0.00 178.44 178.58 3khy s ASP 226 N -6.86 6.24 0.00 1.25 2.15 -1.22 -2.46 116.67 115.77 3khy s ASP 226 Ca -0.02 1.34 0.00 0.00 0.43 0.00 0.00 52.55 54.30 3khy s ASP 226 Cb 0.12 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3khy s ASP 226 CO 0.78 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 3khy n GLY 227 N -2.66 0.87 3.77 2.66 0.00 -1.20 -4.49 105.19 104.15 3khy n GLY 227 Ca 0.05 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 3khy n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3khy s LEU 228 N 0.00 3.03 0.86 0.99 1.43 -1.26 -0.76 118.68 122.97 3khy s LEU 228 Ca 0.00 1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 3khy s LEU 228 Cb 0.00 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.82 3khy s LEU 228 CO 0.00 -1.99 1.11 -0.69 0.23 0.00 0.00 176.35 175.01 3khy s VAL 229 N -2.92 2.75 -0.05 -1.59 1.01 -1.26 -3.70 120.40 114.64 3khy s VAL 229 Ca 0.61 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.58 3khy s VAL 229 Cb -0.17 -2.56 -0.20 0.00 0.00 0.00 0.00 36.38 33.46 3khy s VAL 229 CO 0.56 -0.32 1.06 1.23 0.00 0.00 0.00 175.10 177.63 3khy h GLY 231 N -1.51 -0.09 0.00 4.51 0.00 -1.45 -3.43 103.07 101.10 3khy h GLY 231 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3khy h GLY 231 CO 0.49 -0.03 0.00 -1.30 0.00 0.00 0.00 176.54 175.69 3khy n THR 232 N -4.85 0.02 -4.04 4.70 -2.24 -1.26 -1.60 114.28 105.01 3khy n THR 232 Ca -0.08 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 3khy n THR 232 Cb 0.29 1.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.90 3khy n THR 232 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3khy s ARG 233 N -0.02 3.28 0.27 -0.78 0.52 -1.25 -0.89 118.95 120.08 3khy s ARG 233 Ca 0.00 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.01 3khy s ARG 233 Cb 0.00 -3.05 0.37 0.00 0.52 0.00 0.00 34.95 32.80 3khy s ARG 233 CO 0.00 0.74 1.65 0.66 0.02 0.00 0.00 175.30 178.37 3khy h SER 234 N 4.87 0.32 0.00 0.23 4.64 -1.42 -3.05 113.55 119.14 3khy h SER 234 Ca -0.53 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 3khy h SER 234 Cb 1.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3khy h SER 234 CO 0.58 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.88 3khy n GLY 235 N -0.07 0.62 3.53 -0.77 0.00 -1.03 -4.47 105.19 103.00 3khy n GLY 235 Ca -0.02 -0.81 -0.53 0.00 0.00 0.00 0.00 46.02 44.66 3khy n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khy s ILE 237 N -0.12 0.01 0.05 0.00 2.07 -1.26 -4.94 121.20 117.01 3khy s ILE 237 Ca 0.80 -0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 59.69 3khy s ILE 237 Cb -1.02 -0.97 -0.08 0.00 0.13 0.00 0.00 42.46 40.52 3khy s ILE 237 CO 0.53 -0.03 1.74 -0.62 -1.91 0.00 0.00 174.94 174.66 3khy s ASP 238 N -1.32 6.55 0.62 4.50 -1.08 -1.26 -4.87 116.67 119.82 3khy s ASP 238 Ca -0.10 2.53 0.39 0.00 -0.52 0.00 0.00 52.55 54.85 3khy s ASP 238 Cb -0.00 -2.55 2.15 0.00 -1.46 0.00 0.00 42.92 41.05 3khy s ASP 238 CO 0.08 -0.95 2.21 1.55 0.52 0.00 0.00 175.17 178.58 3khy h PRO 239 N 8.99 0.00 0.00 4.34 0.13 -2.02 -2.03 132.00 141.41 3khy h PRO 239 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3khy h PRO 239 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3khy h PRO 239 CO 0.94 0.00 0.10 0.77 -0.23 0.00 0.00 178.00 179.58 3khy h SER 240 N 0.00 0.00 0.26 1.44 0.02 -2.03 -2.75 113.55 110.49 3khy h SER 240 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3khy h SER 240 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3khy h SER 240 CO 0.00 0.00 -0.12 0.16 -1.14 0.00 0.00 176.83 175.73 3khy h ILE 241 N 0.00 0.70 0.24 3.27 -0.00 -1.75 -2.35 117.51 117.61 3khy h ILE 241 Ca 0.00 -0.48 -0.01 0.00 -0.00 0.00 0.00 64.86 64.37 3khy h ILE 241 Cb 0.21 1.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.32 3khy h ILE 241 CO 0.00 0.12 -0.11 -0.26 -0.00 0.00 0.00 178.15 177.89 3khy h PHE 242 N 0.00 -0.29 -0.76 0.16 0.04 -1.74 0.50 116.94 114.84 3khy h PHE 242 Ca -0.00 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3khy h PHE 242 Cb 0.28 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 3khy h PHE 242 CO 0.00 -0.05 0.30 0.00 -0.60 0.00 0.00 178.31 177.96 3khy h ALA 243 N 0.20 1.08 -0.09 2.45 0.00 -1.73 -0.50 119.26 120.68 3khy h ALA 243 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3khy h ALA 243 Cb 0.38 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3khy h ALA 243 CO 0.05 0.65 0.03 -0.92 0.00 0.00 0.00 179.25 179.07 3khy h TYR 244 N 1.11 0.14 -0.25 0.00 5.03 -1.27 -0.03 116.97 121.70 3khy h TYR 244 Ca 0.25 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.47 3khy h TYR 244 Cb 0.22 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 3khy h TYR 244 CO 0.02 0.26 -0.16 0.82 -1.32 0.00 0.00 178.16 177.78 3khy h ILE 245 N -0.02 1.31 -0.15 1.81 2.04 -0.79 -1.71 117.51 120.00 3khy h ILE 245 Ca 0.03 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.65 3khy h ILE 245 Cb 0.18 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3khy h ILE 245 CO -0.00 0.40 -0.02 -1.28 0.00 0.00 0.00 178.15 177.24 3khy h SER 246 N 0.26 -0.10 -0.70 1.72 0.87 -1.06 0.45 113.55 115.00 3khy h SER 246 Ca 0.05 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3khy h SER 246 Cb 0.68 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 3khy h SER 246 CO 0.04 -0.03 0.22 0.44 -0.53 0.00 0.00 176.83 176.98 3khy h ASP 247 N 0.02 1.02 0.23 6.23 3.32 -0.98 -1.05 116.42 125.22 3khy h ASP 247 Ca 0.07 -0.21 -0.34 0.00 0.02 0.00 0.00 57.03 56.57 3khy h ASP 247 Cb 0.10 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 3khy h ASP 247 CO -0.13 0.96 -2.02 0.59 -1.72 0.00 0.00 179.24 176.91 3khy n ASN 248 N -4.30 1.24 -0.00 6.45 3.02 -0.65 -4.52 115.26 116.50 3khy n ASN 248 Ca 0.05 0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.85 3khy n ASN 248 Cb 0.22 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 3khy n ASN 248 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3khy n LEU 249 N -3.15 0.25 -0.09 3.41 4.77 0.16 -5.02 117.00 117.33 3khy n LEU 249 Ca -0.28 -0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 55.36 3khy n LEU 249 Cb 1.06 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3khy n LEU 249 CO 0.41 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.14 3khy n GLY 250 N 1.48 0.50 3.78 -0.72 0.00 -0.40 -4.98 105.19 104.86 3khy n GLY 250 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3khy n GLY 250 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3khy s TRP 251 N -2.00 2.80 0.70 1.61 0.52 -1.25 -4.95 118.94 116.37 3khy s TRP 251 Ca 0.00 1.55 -0.09 0.00 0.02 0.00 0.00 56.10 57.58 3khy s TRP 251 Cb 0.00 -3.18 0.03 0.00 -1.15 0.00 0.00 33.47 29.17 3khy s TRP 251 CO 0.00 -1.29 1.05 -1.54 0.02 0.00 0.00 176.95 175.19 3khy s SER 252 N -1.97 5.18 0.28 2.95 1.04 -1.26 -4.32 113.70 115.60 3khy s SER 252 Ca 0.70 0.84 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 3khy s SER 252 Cb -0.20 -1.60 0.43 0.00 0.10 0.00 0.00 66.02 64.75 3khy s SER 252 CO 0.26 -1.43 1.92 0.58 0.98 0.00 0.00 173.24 175.56 3khy h VAL 253 N -0.61 1.15 -0.44 5.02 2.07 -1.96 -0.40 116.25 121.07 3khy h VAL 253 Ca -0.45 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3khy h VAL 253 Cb 1.28 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3khy h VAL 253 CO 0.63 0.21 0.23 0.74 0.02 0.00 0.00 177.57 179.40 3khy h THR 254 N 1.15 1.17 -0.54 2.57 2.02 -1.98 0.22 112.91 117.53 3khy h THR 254 Ca 0.37 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3khy h THR 254 Cb 0.04 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3khy h THR 254 CO -0.12 0.19 -0.06 -0.33 0.37 0.00 0.00 175.52 175.57 3khy h GLU 255 N 0.58 0.99 -0.35 6.66 5.08 -1.82 -0.12 114.58 125.60 3khy h GLU 255 Ca 0.15 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3khy h GLU 255 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3khy h GLU 255 CO -0.02 1.02 0.01 0.82 -1.00 0.00 0.00 179.01 179.83 3khy h ILE 256 N 0.86 1.26 -0.65 3.13 2.04 -0.90 -3.13 117.51 120.12 3khy h ILE 256 Ca 0.14 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 3khy h ILE 256 Cb 0.61 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3khy h ILE 256 CO 0.04 0.32 0.19 0.74 0.00 0.00 0.00 178.15 179.44 3khy h THR 257 N 0.42 1.25 0.00 -0.27 2.02 -0.86 -1.99 112.91 113.49 3khy h THR 257 Ca 0.10 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3khy h THR 257 Cb 0.44 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3khy h THR 257 CO 0.02 0.34 0.00 -3.20 0.37 0.00 0.00 175.52 173.04 3khy n ASN 258 N -4.34 0.00 0.00 4.18 2.85 -0.07 -1.78 115.26 116.11 3khy n ASN 258 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 3khy n ASN 258 Cb 0.22 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.24 3khy n ASN 258 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3khy n LEU 260 N 0.90 0.00 0.00 1.20 4.77 -0.75 0.04 117.00 123.16 3khy n LEU 260 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3khy n LEU 260 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3khy n LEU 260 CO 0.00 0.00 -0.36 0.78 -1.33 0.00 0.00 177.39 176.48 3khy h ASN 261 N 0.00 0.04 0.00 -1.43 2.35 -1.53 -1.07 115.58 113.94 3khy h ASN 261 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3khy h ASN 261 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3khy h ASN 261 CO 0.00 1.06 -0.63 0.29 -1.65 0.00 0.00 177.43 176.50 3khy n LYS 262 N -3.16 2.54 0.00 0.81 4.76 0.11 -3.91 118.16 119.30 3khy n LYS 262 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3khy n LYS 262 Cb 1.02 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 3khy n LYS 262 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3khy n GLN 263 N -1.31 1.73 0.00 1.97 1.13 -1.20 -4.87 117.38 114.83 3khy n GLN 263 Ca 0.00 -1.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.98 3khy n GLN 263 Cb 0.00 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 29.53 3khy n GLN 263 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3khy n SER 264 N -0.30 0.25 0.00 1.08 7.64 -0.07 -2.85 113.62 119.37 3khy n SER 264 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3khy n SER 264 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3khy n SER 264 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khy n GLY 265 N 5.00 0.92 0.37 0.23 0.00 -1.15 -1.44 105.19 109.12 3khy n GLY 265 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.45 3khy n GLY 265 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3khy h LEU 266 N 0.00 0.79 -0.09 0.99 3.38 -1.78 -1.54 115.31 117.07 3khy h LEU 266 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3khy h LEU 266 Cb 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3khy h LEU 266 CO 0.00 0.44 0.06 0.25 0.09 0.00 0.00 178.44 179.27 3khy h LEU 267 N 0.86 0.11 -0.79 1.67 5.85 -1.00 -0.69 115.31 121.32 3khy h LEU 267 Ca 0.45 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 3khy h LEU 267 Cb 0.52 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3khy h LEU 267 CO -0.21 0.10 0.33 1.23 -0.34 0.00 0.00 178.44 179.55 3khy h GLY 268 N 0.11 1.26 0.51 3.75 0.00 -0.62 0.25 103.07 108.33 3khy h GLY 268 Ca 0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3khy h GLY 268 CO -0.01 0.64 -0.05 -2.22 0.00 0.00 0.00 176.54 174.90 3khy h ILE 269 N 1.14 1.43 0.00 2.60 2.04 -1.02 -3.40 117.51 120.30 3khy h ILE 269 Ca 0.27 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3khy h ILE 269 Cb 0.19 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3khy h ILE 269 CO -0.02 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.49 3khy n GLY 271 N 0.15 0.75 2.89 0.00 0.00 0.87 -4.80 105.19 105.04 3khy n GLY 271 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3khy n GLY 271 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3khy s HIS 272 N -2.00 -0.14 -0.29 1.61 3.76 -1.25 -4.94 115.29 112.04 3khy s HIS 272 Ca 0.00 0.46 0.22 0.00 -0.15 0.00 0.00 55.06 55.60 3khy s HIS 272 Cb 0.00 -0.14 0.10 0.00 1.11 0.00 0.00 32.58 33.65 3khy s HIS 272 CO 0.00 -0.18 1.22 -2.95 -0.85 0.00 0.00 174.74 171.98 3khy h ASN 273 N 7.46 0.00 -2.59 1.40 -1.07 -1.83 -3.13 115.58 115.82 3khy h ASN 273 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.99 3khy h ASN 273 Cb 1.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 3khy h ASN 273 CO 0.38 0.04 0.00 -0.67 0.07 0.00 0.00 177.43 177.25 3khy n ASP 274 N -2.83 0.00 0.00 6.14 2.03 -1.26 -4.51 116.55 116.11 3khy n ASP 274 Ca 0.01 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.45 3khy n ASP 274 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 3khy n ASP 274 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3khy n ARG 276 N -0.87 0.00 -0.18 -0.67 1.74 -1.26 -1.60 116.66 113.82 3khy n ARG 276 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3khy n ARG 276 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 3khy n ARG 276 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3khy h GLU 277 N 0.00 1.03 -0.35 5.56 5.08 -1.97 -1.73 114.58 122.20 3khy h GLU 277 Ca 0.00 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3khy h GLU 277 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3khy h GLU 277 CO 0.00 1.07 0.21 0.28 -1.00 0.00 0.00 179.01 179.57 3khy h VAL 278 N 0.91 1.12 -0.70 3.13 2.07 -1.63 -0.28 116.25 120.88 3khy h VAL 278 Ca 0.14 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3khy h VAL 278 Cb 0.68 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3khy h VAL 278 CO 0.05 0.12 0.44 0.28 0.02 0.00 0.00 177.57 178.48 3khy h SER 279 N 0.45 0.74 -0.61 0.57 0.02 -1.80 0.08 113.55 113.00 3khy h SER 279 Ca 0.12 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3khy h SER 279 Cb 0.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3khy h SER 279 CO -0.02 0.52 0.08 1.56 -1.14 0.00 0.00 176.83 177.83 3khy h GLN 280 N 0.88 1.02 -0.44 3.45 4.20 -1.03 -1.17 115.11 122.02 3khy h GLN 280 Ca 0.27 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3khy h GLN 280 Cb -0.01 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3khy h GLN 280 CO -0.09 0.96 0.03 -0.07 -0.67 0.00 0.00 178.83 178.99 3khy h LEU 281 N 0.93 0.74 -0.75 1.46 3.38 -0.75 -2.69 115.31 117.62 3khy h LEU 281 Ca 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3khy h LEU 281 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3khy h LEU 281 CO 0.01 0.85 0.38 0.00 0.09 0.00 0.00 178.44 179.78 3khy h ALA 282 N 0.92 0.97 0.00 1.53 0.00 -0.86 -1.44 119.26 120.38 3khy h ALA 282 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3khy h ALA 282 Cb 0.45 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3khy h ALA 282 CO 0.02 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 3khy h ALA 283 N 1.19 1.99 -0.01 0.00 0.00 -1.12 -1.13 119.26 120.19 3khy h ALA 283 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3khy h ALA 283 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3khy h ALA 283 CO -0.04 0.00 -0.08 1.63 0.00 0.00 0.00 179.25 180.76 3khy n LYS 284 N -4.53 1.07 0.00 0.00 5.02 -0.66 -4.92 118.16 114.14 3khy n LYS 284 Ca -0.03 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 3khy n LYS 284 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3khy n LYS 284 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3khy n GLY 285 N 1.21 1.07 3.65 0.72 0.00 -0.43 -5.06 105.19 106.36 3khy n GLY 285 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3khy n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khy s ASP 286 N -2.02 6.63 0.15 1.61 2.15 -0.64 -4.89 116.67 119.66 3khy s ASP 286 Ca 0.00 2.00 -0.13 0.00 0.43 0.00 0.00 52.55 54.85 3khy s ASP 286 Cb 0.00 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 3khy s ASP 286 CO 0.00 -0.99 1.67 0.77 -0.17 0.00 0.00 175.17 176.46 3khy h SER 287 N 9.65 0.75 -0.02 -0.34 4.64 -1.93 -1.74 113.55 124.57 3khy h SER 287 Ca -0.36 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 60.65 3khy h SER 287 Cb 1.16 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3khy h SER 287 CO 0.97 0.76 -0.29 -0.07 -0.87 0.00 0.00 176.83 177.33 3khy h LEU 288 N 0.69 0.46 -0.40 5.97 3.38 -1.92 -0.36 115.31 123.13 3khy h LEU 288 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3khy h LEU 288 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3khy h LEU 288 CO -0.00 0.74 0.05 0.00 0.09 0.00 0.00 178.44 179.31 3khy h ALA 289 N 1.30 0.54 -0.72 1.53 0.00 -1.82 0.79 119.26 120.88 3khy h ALA 289 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3khy h ALA 289 Cb 0.71 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3khy h ALA 289 CO 0.05 0.27 0.46 0.87 0.00 0.00 0.00 179.25 180.90 3khy h LYS 290 N 0.53 0.96 -0.48 0.00 1.57 -1.06 -1.94 116.57 116.14 3khy h LYS 290 Ca 0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3khy h LYS 290 Cb 0.40 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3khy h LYS 290 CO 0.01 0.65 0.15 1.25 -0.57 0.00 0.00 179.45 180.94 3khy h LEU 291 N 0.98 0.70 -0.83 2.94 5.85 -0.79 -2.08 115.31 122.08 3khy h LEU 291 Ca 0.26 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3khy h LEU 291 Cb -0.08 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 3khy h LEU 291 CO -0.05 0.72 0.49 0.00 -0.34 0.00 0.00 178.44 179.26 3khy h ALA 292 N 1.01 1.16 -0.70 1.25 0.00 -0.53 -0.28 119.26 121.17 3khy h ALA 292 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3khy h ALA 292 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3khy h ALA 292 CO -0.00 0.17 0.20 0.82 0.00 0.00 0.00 179.25 180.44 3khy h ILE 293 N 0.86 1.26 -0.17 0.00 2.04 -1.10 -0.76 117.51 119.64 3khy h ILE 293 Ca 0.38 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3khy h ILE 293 Cb 0.27 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3khy h ILE 293 CO -0.21 0.35 0.03 -0.33 0.00 0.00 0.00 178.15 177.99 3khy h GLU 294 N 1.05 0.28 -0.28 2.37 4.39 -0.60 0.16 114.58 121.95 3khy h GLU 294 Ca 0.23 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3khy h GLU 294 Cb 0.32 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3khy h GLU 294 CO -0.00 0.45 0.12 0.82 -1.16 0.00 0.00 179.01 179.24 3khy h ILE 295 N 0.07 1.17 0.11 3.13 2.04 -0.92 0.10 117.51 123.21 3khy h ILE 295 Ca 0.05 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.42 3khy h ILE 295 Cb 0.31 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3khy h ILE 295 CO 0.00 0.17 -0.19 0.15 0.00 0.00 0.00 178.15 178.28 3khy h PHE 296 N 0.30 -0.51 -0.31 1.37 3.04 -1.10 -2.13 116.94 117.61 3khy h PHE 296 Ca 0.09 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.91 3khy h PHE 296 Cb 0.16 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 3khy h PHE 296 CO -0.01 -0.28 -0.37 0.77 -2.02 0.00 0.00 178.31 176.40 3khy h SER 297 N -0.37 0.75 -0.55 0.41 0.02 -0.82 -2.67 113.55 110.31 3khy h SER 297 Ca 0.02 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.56 3khy h SER 297 Cb 0.39 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3khy h SER 297 CO -0.10 1.04 -0.02 -0.74 -1.14 0.00 0.00 176.83 175.86 3khy h HIS 298 N 0.59 1.09 -0.46 3.45 -0.00 -0.93 -1.75 115.15 117.14 3khy h HIS 298 Ca 0.06 -0.19 -0.10 0.00 -0.00 0.00 0.00 60.37 60.13 3khy h HIS 298 Cb 0.90 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 28.00 3khy h HIS 298 CO 0.04 0.98 -0.13 -0.09 -0.00 0.00 0.00 177.93 178.73 3khy h ARG 299 N 0.92 0.86 -0.37 5.26 2.43 -1.20 -0.11 114.38 122.17 3khy h ARG 299 Ca 0.16 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3khy h ARG 299 Cb 0.56 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3khy h ARG 299 CO 0.03 0.94 0.22 0.28 -1.51 0.00 0.00 179.97 179.93 3khy h VAL 300 N 0.77 1.13 -0.79 0.20 2.07 -1.30 -1.94 116.25 116.39 3khy h VAL 300 Ca 0.12 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.36 3khy h VAL 300 Cb 0.65 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3khy h VAL 300 CO 0.05 0.13 0.50 0.00 0.02 0.00 0.00 177.57 178.26 3khy h ALA 301 N 1.08 1.05 -0.85 1.67 0.00 -0.96 -0.94 119.26 120.32 3khy h ALA 301 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3khy h ALA 301 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3khy h ALA 301 CO -0.02 0.28 0.45 0.87 0.00 0.00 0.00 179.25 180.82 3khy h LYS 302 N 0.95 1.20 -0.38 0.00 1.57 -0.73 -0.69 116.57 118.49 3khy h LYS 302 Ca 0.33 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3khy h LYS 302 Cb 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3khy h LYS 302 CO -0.13 0.89 -0.25 0.74 -0.57 0.00 0.00 179.45 180.13 3khy h PHE 303 N 1.20 0.99 -0.38 -1.35 0.04 -0.77 -1.38 116.94 115.29 3khy h PHE 303 Ca 0.30 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3khy h PHE 303 Cb 0.06 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3khy h PHE 303 CO 0.01 1.05 0.24 0.28 -0.60 0.00 0.00 178.31 179.29 3khy h VAL 304 N 0.65 1.11 -0.54 -0.55 2.07 -0.95 -1.02 116.25 117.01 3khy h VAL 304 Ca 0.08 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3khy h VAL 304 Cb 0.82 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3khy h VAL 304 CO 0.07 0.11 0.28 0.00 0.02 0.00 0.00 177.57 178.04 3khy h ALA 305 N 1.12 0.69 -0.75 1.67 0.00 -1.05 -2.60 119.26 118.34 3khy h ALA 305 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3khy h ALA 305 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3khy h ALA 305 CO -0.03 -0.06 0.42 1.03 0.00 0.00 0.00 179.25 180.61 3khy h SER 306 N 0.53 0.93 0.00 0.00 0.87 -0.73 -3.39 113.55 111.77 3khy h SER 306 Ca 0.24 -0.09 -0.65 0.00 -1.23 0.00 0.00 61.79 60.06 3khy h SER 306 Cb 0.14 -0.24 0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3khy h SER 306 CO -0.16 0.75 2.66 -1.22 -0.53 0.00 0.00 176.83 178.33 3khy n TYR 307 N -4.46 2.37 0.00 2.24 4.01 -0.43 -4.67 117.16 116.22 3khy n TYR 307 Ca 0.07 -2.24 0.00 0.00 -0.16 0.00 0.00 57.90 55.56 3khy n TYR 307 Cb 0.09 -2.00 0.00 0.00 -0.31 0.00 0.00 39.34 37.11 3khy n TYR 307 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3khy n ILE 309 N 5.45 0.00 1.19 -0.72 -5.35 -1.26 -4.38 119.36 114.29 3khy n ILE 309 Ca 0.51 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 63.12 3khy n ILE 309 Cb 0.37 0.00 0.66 0.00 -1.74 0.00 0.00 39.64 38.92 3khy n ILE 309 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3khy n TYR 310 N -0.05 0.00 -4.11 4.28 4.01 -1.26 -4.81 117.16 115.22 3khy n TYR 310 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 3khy n TYR 310 Cb 0.00 -0.34 -0.16 0.00 -0.31 0.00 0.00 39.34 38.53 3khy n TYR 310 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3khy s PHE 311 N -2.68 2.86 0.09 -0.72 0.08 -1.26 -4.95 117.98 111.40 3khy s PHE 311 Ca 0.22 -1.74 -0.19 0.00 0.12 0.00 0.00 56.93 55.34 3khy s PHE 311 Cb 0.18 -1.93 -0.08 0.00 -0.57 0.00 0.00 43.02 40.62 3khy s PHE 311 CO 0.43 -0.82 1.57 -0.97 -0.10 0.00 0.00 175.22 175.34 3khy h ASN 312 N 7.92 0.36 -3.25 1.36 -1.24 -2.00 -3.42 115.58 115.31 3khy h ASN 312 Ca -0.42 -0.24 -0.44 0.00 0.71 0.00 0.00 56.30 55.92 3khy h ASN 312 Cb 1.12 -0.10 -0.39 0.00 0.73 0.00 0.00 38.32 39.69 3khy h ASN 312 CO 0.61 0.51 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.75 3khy s LYS 313 N -5.25 0.45 -0.17 6.67 2.47 -1.26 -5.12 119.74 117.53 3khy s LYS 313 Ca -0.14 0.08 -0.27 0.00 -1.56 0.00 0.00 55.97 54.08 3khy s LYS 313 Cb 0.07 -1.09 -0.01 0.00 -1.46 0.00 0.00 37.83 35.34 3khy s LYS 313 CO 0.73 -0.38 0.93 -1.17 0.16 0.00 0.00 175.35 175.62 3khy s LEU 314 N 2.01 4.17 0.06 5.43 2.96 -1.26 -4.94 118.68 127.11 3khy s LEU 314 Ca 0.04 1.32 -0.18 0.00 -0.22 0.00 0.00 54.13 55.09 3khy s LEU 314 Cb -0.13 -3.40 -0.12 0.00 0.50 0.00 0.00 46.19 43.04 3khy s LEU 314 CO -0.05 -0.48 1.39 0.44 -1.32 0.00 0.00 176.35 176.32 3khy h ASP 315 N 7.30 0.51 -4.16 3.68 3.32 -1.21 -3.45 116.42 122.41 3khy h ASP 315 Ca -0.27 -0.46 0.11 0.00 0.02 0.00 0.00 57.03 56.42 3khy h ASP 315 Cb 1.12 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.31 3khy h ASP 315 CO 0.88 0.86 0.58 0.00 -1.72 0.00 0.00 179.24 179.84 3khy s ALA 316 N -4.39 -1.93 -0.20 3.45 0.00 -1.23 -4.27 121.76 113.18 3khy s ALA 316 Ca -0.13 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 3khy s ALA 316 Cb 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3khy s ALA 316 CO 0.78 -0.39 0.33 -1.17 0.00 0.00 0.00 175.76 175.32 3khy s LEU 317 N -1.40 4.16 -0.13 0.00 2.96 -0.55 -1.87 118.68 121.84 3khy s LEU 317 Ca 0.01 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3khy s LEU 317 Cb -0.01 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 3khy s LEU 317 CO -0.01 -0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.14 3khy s VAL 318 N 1.14 2.70 -0.11 1.68 1.01 0.71 -4.19 120.40 123.34 3khy s VAL 318 Ca 0.16 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3khy s VAL 318 Cb -0.14 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3khy s VAL 318 CO 0.07 0.53 0.25 -0.36 0.00 0.00 0.00 175.10 175.59 3khy s PHE 319 N 0.48 3.58 0.36 5.22 0.08 -1.26 -0.27 117.98 126.17 3khy s PHE 319 Ca -0.11 0.65 -0.06 0.00 0.12 0.00 0.00 56.93 57.53 3khy s PHE 319 Cb -0.16 -2.16 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3khy s PHE 319 CO 0.05 0.54 0.57 -0.08 -0.10 0.00 0.00 175.22 176.20 3khy s THR 320 N -0.52 0.00 0.00 0.64 -1.32 -0.51 -1.43 115.64 112.50 3khy s THR 320 Ca 0.17 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 3khy s THR 320 Cb -0.13 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 3khy s THR 320 CO 0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3khy n GLY 321 N -0.56 -0.41 0.20 6.08 0.00 -1.26 -0.77 105.19 108.47 3khy n GLY 321 Ca -0.02 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 3khy n GLY 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3khy h GLY 322 N 0.00 0.60 0.49 -0.02 0.00 -1.85 1.00 103.07 103.28 3khy h GLY 322 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3khy h GLY 322 CO 0.00 -0.10 -0.09 -2.22 0.00 0.00 0.00 176.54 174.14 3khy h ILE 323 N 0.20 1.46 -0.63 2.60 2.04 -0.99 -3.01 117.51 119.18 3khy h ILE 323 Ca 0.26 -1.50 0.03 0.00 1.00 0.00 0.00 64.86 64.64 3khy h ILE 323 Cb 0.36 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 3khy h ILE 323 CO -0.36 0.41 0.42 1.23 0.00 0.00 0.00 178.15 179.84 3khy h GLY 324 N -0.45 0.86 2.00 5.37 0.00 -1.08 0.97 103.07 110.73 3khy h GLY 324 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 3khy h GLY 324 CO 0.02 0.27 -0.75 0.83 0.00 0.00 0.00 176.54 176.91 3khy h GLU 325 N 0.78 0.00 0.00 4.80 5.08 -0.90 -3.40 114.58 120.94 3khy h GLU 325 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3khy h GLU 325 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3khy h GLU 325 CO -0.07 0.75 -1.02 0.09 -1.00 0.00 0.00 179.01 177.76 3khy n ASN 326 N -3.38 4.76 -4.37 1.42 3.02 -0.96 -4.91 115.26 110.84 3khy n ASN 326 Ca 0.00 -0.01 -0.46 0.00 -0.03 0.00 0.00 54.58 54.09 3khy n ASN 326 Cb 0.80 1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.99 3khy n ASN 326 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khy s ALA 327 N -2.04 3.97 0.29 5.41 0.00 0.29 -4.86 121.76 124.82 3khy s ALA 327 Ca -0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 51.96 48.70 3khy s ALA 327 Cb 0.00 -3.72 0.43 0.00 0.00 0.00 0.00 23.12 19.83 3khy s ALA 327 CO 0.03 -2.50 1.89 0.00 0.00 0.00 0.00 175.76 175.18 3khy h ALA 328 N 7.88 1.30 -0.56 0.00 0.00 -1.86 -1.95 119.26 124.07 3khy h ALA 328 Ca 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3khy h ALA 328 Cb 1.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3khy h ALA 328 CO 0.92 0.53 0.21 -2.95 0.00 0.00 0.00 179.25 177.96 3khy h ASN 329 N 0.92 0.75 -0.09 0.00 -1.07 -1.94 -0.22 115.58 113.92 3khy h ASN 329 Ca 0.22 -0.10 -0.20 0.00 0.07 0.00 0.00 56.30 56.29 3khy h ASN 329 Cb 0.12 -0.19 0.01 0.00 -2.07 0.00 0.00 38.32 36.19 3khy h ASN 329 CO -0.03 0.68 -0.74 0.40 0.07 0.00 0.00 177.43 177.82 3khy h ILE 330 N 0.81 1.32 -0.71 6.14 1.08 -1.82 -1.92 117.51 122.40 3khy h ILE 330 Ca 0.19 -2.00 -0.00 0.00 -0.39 0.00 0.00 64.86 62.66 3khy h ILE 330 Cb 0.18 2.19 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 3khy h ILE 330 CO -0.02 0.62 0.44 0.03 -0.69 0.00 0.00 178.15 178.53 3khy h ARG 331 N 0.32 0.96 -0.77 2.37 3.08 -1.15 -1.03 114.38 118.17 3khy h ARG 331 Ca -0.07 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3khy h ARG 331 Cb 1.39 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 3khy h ARG 331 CO 0.15 0.67 0.39 -0.22 -1.07 0.00 0.00 179.97 179.89 3khy h LYS 332 N 0.97 1.09 0.01 0.04 3.64 -1.01 -0.76 116.57 120.56 3khy h LYS 332 Ca 0.26 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3khy h LYS 332 Cb -0.05 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3khy h LYS 332 CO -0.05 0.83 -0.01 -0.97 -2.27 0.00 0.00 179.45 176.98 3khy h ASN 333 N 1.07 -0.02 -0.47 4.20 -0.73 -0.90 -0.56 115.58 118.17 3khy h ASN 333 Ca 0.27 -0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.23 3khy h ASN 333 Cb 0.08 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 3khy h ASN 333 CO -0.04 0.21 0.30 0.40 -0.37 0.00 0.00 177.43 177.93 3khy h ILE 334 N -0.24 1.09 -0.51 2.57 2.04 -1.05 -2.36 117.51 119.04 3khy h ILE 334 Ca -0.00 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3khy h ILE 334 Cb 0.24 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3khy h ILE 334 CO 0.00 0.11 0.03 0.40 0.00 0.00 0.00 178.15 178.70 3khy h ILE 335 N 0.60 1.24 -0.91 -0.67 1.08 -1.03 -2.15 117.51 115.67 3khy h ILE 335 Ca 0.18 -0.98 0.07 0.00 -0.39 0.00 0.00 64.86 63.74 3khy h ILE 335 Cb -0.04 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 3khy h ILE 335 CO -0.06 0.35 0.57 0.77 -0.69 0.00 0.00 178.15 179.10 3khy h SER 336 N 0.79 0.90 0.56 1.72 4.64 -0.71 -0.48 113.55 120.96 3khy h SER 336 Ca 0.16 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3khy h SER 336 Cb 0.43 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3khy h SER 336 CO 0.02 0.57 0.00 0.29 -0.87 0.00 0.00 176.83 176.84 3khy n LYS 337 N -4.59 0.02 -0.33 4.77 5.02 -0.83 -2.36 118.16 119.86 3khy n LYS 337 Ca 0.14 0.25 0.08 0.00 -2.02 0.00 0.00 58.31 56.76 3khy n LYS 337 Cb 0.19 -1.54 0.24 0.00 -0.02 0.00 0.00 35.03 33.90 3khy n LYS 337 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3khy n LEU 338 N -1.57 3.59 -0.34 -0.35 4.77 -0.21 -4.66 117.00 118.23 3khy n LEU 338 Ca 0.04 -2.24 0.11 0.00 -0.03 0.00 0.00 56.01 53.88 3khy n LEU 338 Cb 0.19 -0.39 0.31 0.00 -2.33 0.00 0.00 43.42 41.20 3khy n LEU 338 CO 0.15 0.78 1.22 0.00 -1.33 0.00 0.00 177.39 178.21 3khy h ALA 339 N 2.75 1.66 0.00 -1.18 0.00 -1.29 -0.99 119.26 120.22 3khy h ALA 339 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3khy h ALA 339 Cb 1.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3khy h ALA 339 CO 0.08 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.46 3khy n ASN 340 N -4.65 0.67 -1.30 0.00 3.02 -1.26 -2.25 115.26 109.48 3khy n ASN 340 Ca 0.20 0.66 0.11 0.00 -0.03 0.00 0.00 54.58 55.52 3khy n ASN 340 Cb 0.47 -0.80 0.31 0.00 -0.61 0.00 0.00 39.78 39.15 3khy n ASN 340 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3khy n LEU 341 N -2.23 3.91 0.00 3.41 4.32 -0.38 -4.94 117.00 121.08 3khy n LEU 341 Ca 0.02 -2.03 0.00 0.00 -0.02 0.00 0.00 56.01 53.99 3khy n LEU 341 Cb 0.24 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 3khy n LEU 341 CO 0.20 0.96 0.00 0.61 -1.22 0.00 0.00 177.39 177.94 3khy n GLY 342 N 1.51 0.66 3.98 -0.72 0.00 -0.96 -4.95 105.19 104.72 3khy n GLY 342 Ca 0.23 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 3khy n GLY 342 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khy s PHE 343 N -2.00 2.60 0.01 1.61 0.40 -1.19 -2.42 117.98 116.98 3khy s PHE 343 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3khy s PHE 343 Cb 0.00 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 3khy s PHE 343 CO 0.00 -0.43 -0.02 -1.50 0.70 0.00 0.00 175.22 173.98 3khy s ILE 345 N -2.43 0.09 -0.38 0.64 1.10 -1.26 -4.11 121.20 114.85 3khy s ILE 345 Ca 0.53 -0.38 -0.16 0.00 -0.51 0.00 0.00 60.65 60.13 3khy s ILE 345 Cb -0.08 -0.15 0.00 0.00 0.15 0.00 0.00 42.46 42.39 3khy s ILE 345 CO 0.32 -0.18 0.41 -0.62 -2.11 0.00 0.00 174.94 172.76 3khy s ASP 346 N -0.58 6.20 0.27 4.50 -1.08 0.23 -4.34 116.67 121.87 3khy s ASP 346 Ca -0.06 -0.42 -0.04 0.00 -0.52 0.00 0.00 52.55 51.51 3khy s ASP 346 Cb -0.04 -2.21 0.36 0.00 -1.46 0.00 0.00 42.92 39.56 3khy s ASP 346 CO -0.00 -0.46 1.92 0.45 0.52 0.00 0.00 175.17 177.60 3khy h HIS 347 N 8.59 1.10 -0.27 -5.34 3.86 -1.97 -0.02 115.15 121.10 3khy h HIS 347 Ca -0.28 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.88 3khy h HIS 347 Cb 1.13 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3khy h HIS 347 CO 0.66 0.73 -0.01 0.37 0.86 0.00 0.00 177.93 180.54 3khy h GLN 348 N 1.15 0.48 -0.56 2.45 4.15 -1.95 0.82 115.11 121.65 3khy h GLN 348 Ca 0.30 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 3khy h GLN 348 Cb -0.05 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3khy h GLN 348 CO -0.06 0.66 0.09 0.87 -1.93 0.00 0.00 178.83 178.46 3khy h LYS 349 N 0.26 0.91 -0.38 1.69 1.57 -1.81 -2.75 116.57 116.05 3khy h LYS 349 Ca 0.07 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3khy h LYS 349 Cb 0.45 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3khy h LYS 349 CO 0.02 0.85 0.10 -0.97 -0.57 0.00 0.00 179.45 178.87 3khy h ASN 350 N 0.86 0.57 -0.04 0.86 -1.24 -0.77 -2.01 115.58 113.81 3khy h ASN 350 Ca 0.18 -0.22 0.01 0.00 0.71 0.00 0.00 56.30 56.97 3khy h ASN 350 Cb 0.39 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 3khy h ASN 350 CO 0.01 0.65 0.03 0.77 -1.29 0.00 0.00 177.43 177.60 3khy h SER 351 N 0.47 0.00 -0.25 1.15 4.64 -0.64 -0.34 113.55 118.58 3khy h SER 351 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3khy h SER 351 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3khy h SER 351 CO -0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 3khy n ASN 352 N -4.22 2.94 -3.87 4.97 3.02 -1.05 -4.98 115.26 112.07 3khy n ASN 352 Ca -0.02 -1.92 -0.24 0.00 -0.03 0.00 0.00 54.58 52.37 3khy n ASN 352 Cb 0.13 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3khy n ASN 352 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3khy n SER 353 N 1.19 -0.66 -4.71 6.41 7.64 -0.14 -4.95 113.62 118.39 3khy n SER 353 Ca 0.18 -0.94 -0.29 0.00 1.01 0.00 0.00 58.87 58.83 3khy n SER 353 Cb 0.54 -3.40 0.16 0.00 -1.01 0.00 0.00 64.21 60.51 3khy n SER 353 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3khy s GLU 354 N -6.36 0.71 0.22 1.43 2.02 -0.92 -4.91 118.70 110.88 3khy s GLU 354 Ca 0.02 0.36 -0.08 0.00 0.02 0.00 0.00 54.97 55.29 3khy s GLU 354 Cb -0.01 -1.78 0.19 0.00 0.10 0.00 0.00 34.13 32.62 3khy s GLU 354 CO 0.86 -2.51 1.86 1.15 0.02 0.00 0.00 175.26 176.64 3khy h THR 355 N -1.73 1.24 -3.49 3.63 2.02 -1.92 -3.32 112.91 109.34 3khy h THR 355 Ca -0.52 -0.55 -0.66 0.00 0.77 0.00 0.00 66.41 65.45 3khy h THR 355 Cb 1.33 0.08 -0.25 0.00 -1.74 0.00 0.00 68.15 67.57 3khy h THR 355 CO 0.59 0.26 -0.74 -0.36 0.37 0.00 0.00 175.52 175.63 3khy s PHE 356 N -5.93 2.84 0.00 3.16 0.40 -1.26 -1.21 117.98 115.98 3khy s PHE 356 Ca -0.13 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 3khy s PHE 356 Cb 0.16 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.88 3khy s PHE 356 CO 0.81 -0.05 0.71 0.44 0.70 0.00 0.00 175.22 177.82 3khy n ILE 357 N 3.16 0.50 -2.50 0.64 -5.35 0.95 -4.82 119.36 111.94 3khy n ILE 357 Ca -0.18 -0.61 -0.32 0.00 -0.27 0.00 0.00 62.75 61.38 3khy n ILE 357 Cb 0.53 0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 39.23 3khy n ILE 357 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3khy s ASN 358 N -0.50 6.59 1.00 7.28 4.22 -1.23 -0.60 114.94 131.70 3khy s ASN 358 Ca 0.00 1.46 -0.16 0.00 -2.14 0.00 0.00 52.86 52.02 3khy s ASN 358 Cb 0.00 -2.46 0.22 0.00 1.28 0.00 0.00 41.25 40.28 3khy s ASN 358 CO 0.00 -0.55 1.29 -1.54 -2.04 0.00 0.00 177.10 174.27 3khy n SER 359 N -1.53 0.11 -0.20 3.54 3.41 -1.26 -4.28 113.62 113.41 3khy n SER 359 Ca 0.06 -1.47 -0.07 0.00 -0.26 0.00 0.00 58.87 57.12 3khy n SER 359 Cb 0.54 -0.99 0.03 0.00 -0.26 0.00 0.00 64.21 63.53 3khy n SER 359 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3khy h LYS 360 N 0.00 0.81 -3.27 4.33 1.57 -1.98 -3.28 116.57 114.75 3khy h LYS 360 Ca -0.42 -0.10 -0.78 0.00 -1.87 0.00 0.00 60.65 57.48 3khy h LYS 360 Cb 1.15 -0.16 -0.22 0.00 0.08 0.00 0.00 32.23 33.09 3khy h LYS 360 CO 0.30 0.63 1.39 0.09 -0.57 0.00 0.00 179.45 181.28 3khy n ASN 361 N -4.58 5.73 -3.50 0.86 3.02 -1.26 -4.94 115.26 110.60 3khy n ASN 361 Ca 0.04 -3.25 -0.13 0.00 -0.03 0.00 0.00 54.58 51.21 3khy n ASN 361 Cb 0.09 -1.38 -0.04 0.00 -0.61 0.00 0.00 39.78 37.84 3khy n ASN 361 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3khy s SER 362 N -0.30 -0.51 0.78 6.41 0.15 -1.24 -4.83 113.70 114.16 3khy s SER 362 Ca 0.35 0.28 -0.14 0.00 0.70 0.00 0.00 55.95 57.14 3khy s SER 362 Cb 0.06 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 3khy s SER 362 CO 0.05 -0.67 1.13 1.41 1.20 0.00 0.00 173.24 176.36 3khy n HIS 363 N 0.22 1.10 -1.70 3.44 8.25 -1.02 -4.92 115.22 120.60 3khy n HIS 363 Ca -0.14 0.40 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 3khy n HIS 363 Cb 0.61 -2.11 -0.02 0.00 1.12 0.00 0.00 29.99 29.59 3khy n HIS 363 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3khy n ASN 364 N -2.71 3.13 -4.23 0.41 3.02 -1.26 -4.81 115.26 108.81 3khy n ASN 364 Ca 0.13 1.15 -0.19 0.00 -0.03 0.00 0.00 54.58 55.65 3khy n ASN 364 Cb 0.50 -1.49 -0.11 0.00 -0.61 0.00 0.00 39.78 38.06 3khy n ASN 364 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khy s ILE 365 N -0.21 1.32 -0.25 2.41 1.01 -1.26 -1.49 121.20 122.73 3khy s ILE 365 Ca 0.65 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 3khy s ILE 365 Cb -0.59 -1.44 0.12 0.00 0.01 0.00 0.00 42.46 40.57 3khy s ILE 365 CO 0.51 -0.34 0.52 -0.69 0.00 0.00 0.00 174.94 174.95 3khy s VAL 367 N -1.87 -0.82 -0.07 2.92 1.01 -0.35 -0.04 120.40 121.19 3khy s VAL 367 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3khy s VAL 367 Cb -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3khy s VAL 367 CO 0.03 0.02 -0.10 -0.63 0.00 0.00 0.00 175.10 174.42 3khy s ILE 368 N 2.75 0.99 0.12 2.22 1.01 -0.51 -4.38 121.20 123.39 3khy s ILE 368 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 3khy s ILE 368 Cb -0.13 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.32 3khy s ILE 368 CO -0.16 0.33 1.41 0.00 0.00 0.00 0.00 174.94 176.52 3khy s ALA 369 N 0.93 3.61 0.52 9.38 0.00 -1.26 -4.33 121.76 130.61 3khy s ALA 369 Ca -0.10 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 3khy s ALA 369 Cb -0.15 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3khy s ALA 369 CO 0.01 -0.64 0.96 -0.08 0.00 0.00 0.00 175.76 176.01 3khy s THR 370 N 1.12 4.61 -0.42 0.00 -1.32 -1.26 -4.93 115.64 113.43 3khy s THR 370 Ca 0.65 1.04 0.07 0.00 -1.21 0.00 0.00 61.69 62.24 3khy s THR 370 Cb -0.38 -3.75 0.22 0.00 -1.51 0.00 0.00 72.50 67.09 3khy s THR 370 CO 0.30 -0.75 0.56 -3.20 -2.21 0.00 0.00 174.62 169.33 3khy n ASN 371 N -1.77 -0.86 -0.17 8.08 2.85 -1.26 -4.98 115.26 117.14 3khy n ASN 371 Ca 0.06 -2.75 -0.01 0.00 -0.11 0.00 0.00 54.58 51.77 3khy n ASN 371 Cb 0.54 0.04 0.23 0.00 1.24 0.00 0.00 39.78 41.83 3khy n ASN 371 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3khy h GLU 372 N 4.47 0.90 -0.39 1.20 5.08 -1.95 -2.91 114.58 120.97 3khy h GLU 372 Ca 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3khy h GLU 372 Cb 0.93 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3khy h GLU 372 CO 0.38 0.68 0.18 0.93 -1.00 0.00 0.00 179.01 180.18 3khy h GLU 373 N 0.91 0.57 -1.34 2.33 3.07 -1.99 -0.15 114.58 117.98 3khy h GLU 373 Ca 0.23 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3khy h GLU 373 Cb 0.05 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3khy h GLU 373 CO -0.03 0.51 0.00 -0.11 -1.40 0.00 0.00 179.01 177.98 3khy n LEU 374 N -4.69 0.26 0.00 1.33 7.94 -1.10 -0.99 117.00 119.75 3khy n LEU 374 Ca -0.00 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 3khy n LEU 374 Cb 0.12 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.01 3khy n LEU 374 CO 0.36 0.05 0.00 -0.38 -1.11 0.00 0.00 177.39 176.31 3khy n ILE 376 N 0.79 0.00 -0.29 1.96 5.41 -0.07 -1.11 119.36 126.05 3khy n ILE 376 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 3khy n ILE 376 Cb 0.05 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.05 3khy n ILE 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3khy h ALA 377 N 0.00 1.01 -0.26 -1.39 0.00 -1.32 -0.62 119.26 116.68 3khy h ALA 377 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3khy h ALA 377 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3khy h ALA 377 CO 0.00 0.48 -0.19 1.96 0.00 0.00 0.00 179.25 181.50 3khy h GLN 378 N 1.09 0.59 -0.97 0.00 4.20 -1.39 -0.28 115.11 118.35 3khy h GLN 378 Ca 0.29 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3khy h GLN 378 Cb -0.04 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 3khy h GLN 378 CO -0.05 0.87 0.63 0.93 -0.67 0.00 0.00 178.83 180.54 3khy h GLU 379 N 0.31 1.17 0.05 1.46 4.39 -1.76 -1.83 114.58 118.36 3khy h GLU 379 Ca 0.05 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3khy h GLU 379 Cb 0.72 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3khy h GLU 379 CO 0.05 0.77 -0.02 1.15 -1.16 0.00 0.00 179.01 179.80 3khy h THR 380 N 1.20 1.24 -0.88 1.13 2.02 -0.91 -3.03 112.91 113.69 3khy h THR 380 Ca 0.39 -1.01 0.18 0.00 0.77 0.00 0.00 66.41 66.74 3khy h THR 380 Cb 0.03 1.90 -0.07 0.00 -1.74 0.00 0.00 68.15 68.28 3khy h THR 380 CO -0.13 0.25 0.58 -0.61 0.37 0.00 0.00 175.52 175.98 3khy h GLN 381 N -0.52 0.49 0.00 6.66 5.75 -0.85 -1.02 115.11 125.62 3khy h GLN 381 Ca -0.01 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3khy h GLN 381 Cb 0.46 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3khy h GLN 381 CO 0.01 0.32 -0.03 -0.91 -2.65 0.00 0.00 178.83 175.57 3khy h ASN 382 N 0.50 0.00 0.02 -0.69 2.35 -1.21 -3.12 115.58 113.43 3khy h ASN 382 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 3khy h ASN 382 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3khy h ASN 382 CO -0.19 0.03 -1.23 0.18 -1.65 0.00 0.00 177.43 174.57 3khy n LEU 383 N -4.19 0.75 -0.88 1.61 4.77 -0.39 -5.12 117.00 113.54 3khy n LEU 383 Ca -0.03 -0.36 0.12 0.00 -0.03 0.00 0.00 56.01 55.71 3khy n LEU 383 Cb 0.12 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 3khy n LEU 383 CO 0.32 0.18 0.67 2.30 -1.33 0.00 0.00 177.39 179.53