#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wko s THR 2 N 0.00 3.04 0.06 0.00 2.01 -1.05 -4.81 115.64 114.89 2wko s THR 2 Ca 0.00 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.70 2wko s THR 2 Cb 0.00 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 2wko s THR 2 CO 0.00 -0.13 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.13 2wko s LYS 3 N -3.27 0.77 0.20 4.92 1.02 -1.26 -1.60 119.74 120.51 2wko s LYS 3 Ca 0.74 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 2wko s LYS 3 Cb -0.26 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2wko s LYS 3 CO 0.29 0.16 0.11 0.00 -0.92 0.00 0.00 175.35 174.98 2wko s ALA 4 N -1.27 1.23 -0.03 5.17 0.00 0.01 -1.39 121.76 125.49 2wko s ALA 4 Ca -0.03 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.02 2wko s ALA 4 Cb -0.10 1.21 0.04 0.00 0.00 0.00 0.00 23.12 24.27 2wko s ALA 4 CO 0.02 -0.54 0.46 0.54 0.00 0.00 0.00 175.76 176.24 2wko s VAL 5 N -4.05 0.03 -0.03 0.00 0.11 0.22 -0.67 120.40 116.02 2wko s VAL 5 Ca 0.36 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2wko s VAL 5 Cb 0.07 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2wko s VAL 5 CO 0.10 -0.15 -0.02 0.00 -3.33 0.00 0.00 175.10 171.70 2wko s VAL 7 N 0.86 4.54 -0.23 0.00 1.01 -1.26 -0.43 120.40 124.90 2wko s VAL 7 Ca -0.10 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2wko s VAL 7 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2wko s VAL 7 CO -0.01 -0.14 0.54 -0.76 0.00 0.00 0.00 175.10 174.73 2wko s LEU 8 N 1.56 4.11 0.13 3.92 1.43 0.14 -4.08 118.68 125.89 2wko s LEU 8 Ca 0.03 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2wko s LEU 8 Cb -0.19 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2wko s LEU 8 CO 0.06 -0.25 -0.00 -0.54 0.23 0.00 0.00 176.35 175.86 2wko s LYS 9 N 1.98 0.93 0.00 1.70 1.02 0.03 -1.96 119.74 123.44 2wko s LYS 9 Ca 0.24 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2wko s LYS 9 Cb -0.16 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2wko s LYS 9 CO 0.09 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 2wko n GLY 10 N -0.11 2.75 1.07 -3.33 0.00 -1.26 -0.84 105.19 103.47 2wko n GLY 10 Ca -0.08 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.33 2wko n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wko n ASP 11 N 0.00 3.21 0.00 1.61 3.85 -1.26 -4.97 116.55 118.99 2wko n ASP 11 Ca 0.00 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 2wko n ASP 11 Cb 0.00 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 2wko n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wko n GLY 12 N 1.45 5.55 0.00 6.12 0.00 -1.26 -5.03 105.19 112.02 2wko n GLY 12 Ca 0.18 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.46 2wko n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wko n PRO 13 N 0.00 0.45 -2.28 1.61 -0.04 -1.26 -4.87 135.00 128.61 2wko n PRO 13 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 2wko n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2wko n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wko s VAL 14 N -2.54 4.01 -0.01 0.52 1.01 -1.26 -4.31 120.40 117.82 2wko s VAL 14 Ca 0.29 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2wko s VAL 14 Cb 0.20 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2wko s VAL 14 CO 0.45 -0.19 -0.08 -1.10 0.00 0.00 0.00 175.10 174.18 2wko s GLN 15 N 3.90 0.69 0.16 2.72 -0.21 -0.84 -4.19 119.66 121.90 2wko s GLN 15 Ca 0.62 -0.30 -0.24 0.00 0.02 0.00 0.00 55.36 55.46 2wko s GLN 15 Cb -0.24 -0.67 0.06 0.00 1.00 0.00 0.00 33.01 33.16 2wko s GLN 15 CO 0.21 0.18 0.88 0.20 -2.12 0.00 0.00 175.29 174.64 2wko s GLY 16 N -0.17 -0.25 -0.07 3.09 0.00 -0.83 -1.01 107.32 108.08 2wko s GLY 16 Ca 0.03 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.92 2wko s GLY 16 CO -0.00 0.03 -0.14 -0.42 0.00 0.00 0.00 173.10 172.56 2wko s ILE 17 N -3.43 1.29 -0.09 0.90 1.01 -1.05 0.27 121.20 120.10 2wko s ILE 17 Ca 0.11 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.21 2wko s ILE 17 Cb -0.02 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.29 2wko s ILE 17 CO 0.01 0.39 -0.15 -0.63 0.00 0.00 0.00 174.94 174.56 2wko s ILE 18 N 0.63 1.40 -0.02 2.92 -1.09 0.43 -2.48 121.20 122.99 2wko s ILE 18 Ca -0.15 -0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 57.65 2wko s ILE 18 Cb -0.16 -1.27 -0.04 0.00 -1.58 0.00 0.00 42.46 39.41 2wko s ILE 18 CO 0.04 0.42 0.10 0.20 -1.23 0.00 0.00 174.94 174.47 2wko s ASN 19 N 0.78 5.80 -0.03 3.58 0.01 0.12 -0.47 114.94 124.73 2wko s ASN 19 Ca -0.11 0.20 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 2wko s ASN 19 Cb -0.16 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 2wko s ASN 19 CO 0.02 0.29 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.31 2wko s PHE 20 N -1.18 2.08 -0.09 2.20 0.40 0.16 -1.34 117.98 120.21 2wko s PHE 20 Ca 0.22 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2wko s PHE 20 Cb -0.12 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.10 2wko s PHE 20 CO 0.13 -0.10 0.21 -2.00 0.70 0.00 0.00 175.22 174.16 2wko s GLU 21 N -0.37 0.17 -0.25 0.44 2.12 -0.15 -0.81 118.70 119.86 2wko s GLU 21 Ca 0.04 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 55.80 2wko s GLU 21 Cb -0.10 -0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.26 2wko s GLU 21 CO 0.01 -0.14 0.06 -1.14 -0.54 0.00 0.00 175.26 173.50 2wko s GLN 22 N 1.06 0.70 0.15 4.30 0.74 -0.63 -0.77 119.66 125.22 2wko s GLN 22 Ca -0.08 -0.74 -0.14 0.00 0.05 0.00 0.00 55.36 54.45 2wko s GLN 22 Cb -0.09 -2.01 0.02 0.00 1.10 0.00 0.00 33.01 32.02 2wko s GLN 22 CO -0.06 -0.81 1.70 0.87 -0.55 0.00 0.00 175.29 176.43 2wko h LYS 23 N 8.17 0.70 -5.92 1.67 1.57 -1.83 -2.78 116.57 118.15 2wko h LYS 23 Ca -0.16 -0.13 -0.52 0.00 -1.87 0.00 0.00 60.65 57.97 2wko h LYS 23 Cb 1.06 -0.11 -0.17 0.00 0.08 0.00 0.00 32.23 33.09 2wko h LYS 23 CO 0.41 0.64 -0.77 -1.21 -0.57 0.00 0.00 179.45 177.94 2wko s GLU 24 N -5.54 1.35 0.60 3.15 2.02 -1.26 -3.69 118.70 115.33 2wko s GLU 24 Ca -0.13 -1.50 0.29 0.00 0.02 0.00 0.00 54.97 53.65 2wko s GLU 24 Cb 0.11 -1.37 1.55 0.00 0.10 0.00 0.00 34.13 34.53 2wko s GLU 24 CO 0.77 0.27 1.96 0.66 0.02 0.00 0.00 175.26 178.93 2wko h SER 25 N 2.97 0.00 0.00 -0.19 4.64 -1.99 -0.72 113.55 118.26 2wko h SER 25 Ca -0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 2wko h SER 25 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 2wko h SER 25 CO 0.54 0.00 -0.46 -0.46 -0.87 0.00 0.00 176.83 175.58 2wko n ASN 26 N -3.63 1.54 -4.94 4.97 0.23 -1.26 -4.86 115.26 107.30 2wko n ASN 26 Ca 0.05 -3.09 -0.24 0.00 -0.53 0.00 0.00 54.58 50.77 2wko n ASN 26 Cb 0.53 -0.42 0.03 0.00 -2.08 0.00 0.00 39.78 37.84 2wko n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2wko s GLY 27 N -2.63 1.66 0.85 4.83 0.00 -0.28 -5.09 107.32 106.66 2wko s GLY 27 Ca 0.31 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 43.92 2wko s GLY 27 CO -0.05 -0.74 1.11 2.56 0.00 0.00 0.00 173.10 175.98 2wko s PRO 28 N -4.83 1.62 -0.19 2.90 0.04 -1.26 -4.86 135.00 128.41 2wko s PRO 28 Ca 0.54 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 62.80 2wko s PRO 28 Cb -0.10 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2wko s PRO 28 CO 0.41 -2.13 0.04 0.08 0.04 0.00 0.00 177.00 175.45 2wko s VAL 29 N -2.80 4.50 -0.13 -0.36 1.01 -0.02 -4.43 120.40 118.17 2wko s VAL 29 Ca 0.64 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 2wko s VAL 29 Cb -0.20 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2wko s VAL 29 CO 0.57 0.44 0.64 -0.75 0.00 0.00 0.00 175.10 176.00 2wko s LYS 30 N 0.65 4.32 -0.15 2.72 2.20 0.05 -0.44 119.74 129.10 2wko s LYS 30 Ca 0.02 0.72 0.02 0.00 -0.36 0.00 0.00 55.97 56.36 2wko s LYS 30 Cb -0.13 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 2wko s LYS 30 CO 0.02 -0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.82 2wko s VAL 31 N 1.29 2.20 -0.04 4.02 1.01 0.19 -0.98 120.40 128.09 2wko s VAL 31 Ca 0.32 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 2wko s VAL 31 Cb -0.16 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.37 2wko s VAL 31 CO 0.13 0.54 0.50 -1.66 0.00 0.00 0.00 175.10 174.61 2wko s TRP 32 N 0.89 -0.43 -4.32 5.22 -2.14 -0.45 0.04 118.94 117.75 2wko s TRP 32 Ca -0.05 0.75 0.00 0.00 2.66 0.00 0.00 56.10 59.46 2wko s TRP 32 Cb -0.15 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 2wko s TRP 32 CO -0.03 -0.49 0.00 0.41 -2.66 0.00 0.00 176.95 174.18 2wko n GLY 33 N 1.19 -0.52 2.93 3.67 0.00 -0.64 0.14 105.19 111.96 2wko n GLY 33 Ca -0.20 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 2wko n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wko s SER 34 N -4.00 -0.07 -0.15 1.61 0.15 -1.03 0.60 113.70 110.80 2wko s SER 34 Ca 0.00 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.85 2wko s SER 34 Cb 0.00 0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2wko s SER 34 CO 0.00 -0.07 -0.19 -0.63 1.20 0.00 0.00 173.24 173.55 2wko s ILE 35 N 0.42 2.33 0.35 6.45 1.01 0.09 -2.54 121.20 129.31 2wko s ILE 35 Ca -0.03 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.81 2wko s ILE 35 Cb -0.04 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2wko s ILE 35 CO -0.02 0.53 0.21 -1.59 0.00 0.00 0.00 174.94 174.08 2wko s LYS 36 N 0.86 2.48 0.00 2.79 -2.85 -0.18 -0.21 119.74 122.63 2wko s LYS 36 Ca -0.05 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 2wko s LYS 36 Cb -0.15 -2.27 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2wko s LYS 36 CO -0.02 0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.91 2wko n GLY 37 N -1.26 0.62 3.87 0.59 0.00 -0.38 -1.99 105.19 106.64 2wko n GLY 37 Ca -0.02 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2wko n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wko s LEU 38 N 0.00 4.40 0.54 0.99 1.43 -0.63 -4.31 118.68 121.10 2wko s LEU 38 Ca 0.00 0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 53.52 2wko s LEU 38 Cb 0.00 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2wko s LEU 38 CO 0.00 0.31 1.35 0.35 0.23 0.00 0.00 176.35 178.59 2wko n THR 39 N 1.50 3.80 -1.74 5.49 -2.24 -1.26 -4.15 114.28 115.67 2wko n THR 39 Ca -0.14 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 2wko n THR 39 Cb 0.53 -1.65 -0.01 0.00 -2.10 0.00 0.00 70.33 67.10 2wko n THR 39 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wko n GLU 40 N -0.98 2.63 0.00 -0.78 2.13 -1.26 -4.61 120.64 117.76 2wko n GLU 40 Ca 0.10 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.85 2wko n GLU 40 Cb 0.44 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.47 2wko n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wko n GLY 41 N 1.71 0.42 3.88 8.31 0.00 -0.61 -4.93 105.19 113.97 2wko n GLY 41 Ca 0.07 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 2wko n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wko s LEU 42 N 0.00 4.39 -0.05 0.99 1.43 -1.26 -0.36 118.68 123.83 2wko s LEU 42 Ca 0.00 0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2wko s LEU 42 Cb 0.00 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2wko s LEU 42 CO 0.00 0.33 0.01 -1.00 0.23 0.00 0.00 176.35 175.92 2wko s HIS 43 N -1.17 0.40 0.61 0.29 3.76 -0.34 -2.89 115.29 115.94 2wko s HIS 43 Ca 0.22 -0.01 -0.20 0.00 -0.15 0.00 0.00 55.06 54.93 2wko s HIS 43 Cb -0.13 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 2wko s HIS 43 CO 0.11 -0.21 1.33 0.20 -0.85 0.00 0.00 174.74 175.32 2wko s GLY 44 N 1.59 2.88 -0.15 -2.22 0.00 -0.65 -0.77 107.32 108.01 2wko s GLY 44 Ca -0.02 1.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.95 2wko s GLY 44 CO -0.03 1.76 0.14 -0.12 0.00 0.00 0.00 173.10 174.84 2wko s PHE 45 N -1.34 -0.03 0.03 1.90 5.36 0.05 -1.36 117.98 122.59 2wko s PHE 45 Ca 0.78 0.06 -0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2wko s PHE 45 Cb -0.39 -0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 41.76 2wko s PHE 45 CO 0.44 -0.47 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.69 2wko s HIS 46 N 2.23 0.34 -0.12 10.12 3.76 -0.54 -2.46 115.29 128.62 2wko s HIS 46 Ca 0.04 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2wko s HIS 46 Cb -0.15 -0.25 -0.02 0.00 1.11 0.00 0.00 32.58 33.27 2wko s HIS 46 CO -0.09 -0.25 0.85 0.08 -0.85 0.00 0.00 174.74 174.48 2wko s VAL 47 N -2.26 4.89 0.22 -0.90 1.01 -0.21 -0.70 120.40 122.45 2wko s VAL 47 Ca -0.09 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.66 2wko s VAL 47 Cb -0.04 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2wko s VAL 47 CO -0.04 0.08 0.28 -1.00 0.00 0.00 0.00 175.10 174.42 2wko s HIS 48 N 1.77 3.33 0.17 5.22 3.76 0.17 -0.63 115.29 129.08 2wko s HIS 48 Ca 0.41 -0.02 -0.14 0.00 -0.15 0.00 0.00 55.06 55.16 2wko s HIS 48 Cb -0.17 -1.53 0.09 0.00 1.11 0.00 0.00 32.58 32.07 2wko s HIS 48 CO 0.16 0.48 1.81 1.49 -0.85 0.00 0.00 174.74 177.83 2wko h GLU 49 N 1.54 0.57 -6.03 1.40 4.81 -0.63 -2.98 114.58 113.25 2wko h GLU 49 Ca -0.50 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 2wko h GLU 49 Cb 1.22 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 2wko h GLU 49 CO 0.62 0.38 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.61 2wko s PHE 50 N -6.14 3.18 -0.34 0.92 0.08 0.68 -4.71 117.98 111.64 2wko s PHE 50 Ca -0.13 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.06 2wko s PHE 50 Cb 0.13 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 2wko s PHE 50 CO 0.74 0.49 2.65 0.41 -0.10 0.00 0.00 175.22 179.41 2wko n GLY 51 N 1.70 4.05 3.19 4.36 0.00 -1.07 -3.37 105.19 114.05 2wko n GLY 51 Ca -0.16 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 2wko n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wko s ASP 52 N 0.57 4.29 -0.00 1.61 -1.08 -1.26 -4.93 116.67 115.86 2wko s ASP 52 Ca 0.51 -0.90 0.05 0.00 -0.52 0.00 0.00 52.55 51.69 2wko s ASP 52 Cb 0.33 -1.65 0.13 0.00 -1.46 0.00 0.00 42.92 40.27 2wko s ASP 52 CO -0.13 -0.13 1.11 -3.20 0.52 0.00 0.00 175.17 173.34 2wko n ASN 53 N 4.65 2.40 -0.02 -0.34 5.15 -1.26 -2.63 115.26 123.21 2wko n ASN 53 Ca -0.16 -2.03 0.14 0.00 -0.60 0.00 0.00 54.58 51.93 2wko n ASN 53 Cb 0.47 -0.11 0.57 0.00 -0.53 0.00 0.00 39.78 40.18 2wko n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2wko h THR 54 N 0.84 0.86 -0.82 -0.44 1.35 -1.93 -0.20 112.91 112.57 2wko h THR 54 Ca 0.00 -0.09 -0.59 0.00 -0.55 0.00 0.00 66.41 65.19 2wko h THR 54 Cb 0.61 0.58 -0.39 0.00 -1.73 0.00 0.00 68.15 67.23 2wko h THR 54 CO 0.00 0.05 -0.33 0.00 -0.25 0.00 0.00 175.52 174.99 2wko n ALA 55 N -2.55 5.40 -0.55 6.62 0.00 -1.26 -5.07 120.51 123.09 2wko n ALA 55 Ca 0.08 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.83 2wko n ALA 55 Cb 0.40 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2wko n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wko n GLY 56 N -0.77 0.43 0.25 0.00 0.00 -0.09 -3.83 105.19 101.18 2wko n GLY 56 Ca 0.49 -0.83 0.16 0.00 0.00 0.00 0.00 46.02 45.85 2wko n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wko h THR 58 N 0.00 1.26 0.00 0.00 2.02 -1.90 -2.76 112.91 111.53 2wko h THR 58 Ca 0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2wko h THR 58 Cb 0.51 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2wko h THR 58 CO 0.00 0.40 0.00 -1.54 0.37 0.00 0.00 175.52 174.75 2wko n SER 59 N -4.12 0.00 0.12 4.18 3.41 -1.14 -3.23 113.62 112.83 2wko n SER 59 Ca -0.00 0.29 0.10 0.00 -0.26 0.00 0.00 58.87 59.00 2wko n SER 59 Cb 0.40 -0.40 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 2wko n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wko n ALA 60 N -1.40 1.37 -0.48 7.33 0.00 -1.04 -4.52 120.51 121.77 2wko n ALA 60 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2wko n ALA 60 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2wko n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wko n GLY 61 N -0.63 -0.18 3.10 0.00 0.00 -1.20 -0.23 105.19 106.05 2wko n GLY 61 Ca 0.01 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 2wko n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wko n PRO 62 N 0.00 -0.59 -1.72 1.61 -0.04 -1.26 -4.61 135.00 128.38 2wko n PRO 62 Ca 0.00 -1.87 -0.41 0.00 -0.04 0.00 0.00 63.50 61.18 2wko n PRO 62 Cb 0.00 -0.86 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 2wko n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wko n HIS 63 N -3.09 2.33 -1.90 0.54 8.25 -1.26 -0.41 115.22 119.68 2wko n HIS 63 Ca 0.13 0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 2wko n HIS 63 Cb 0.47 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.14 2wko n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wko s PHE 64 N -1.19 1.87 -0.43 4.41 5.36 0.20 -4.43 117.98 123.77 2wko s PHE 64 Ca 0.61 0.04 0.08 0.00 -0.96 0.00 0.00 56.93 56.69 2wko s PHE 64 Cb -0.49 -4.02 0.29 0.00 -0.34 0.00 0.00 43.02 38.47 2wko s PHE 64 CO 0.58 -4.33 0.83 -1.71 -1.46 0.00 0.00 175.22 169.13 2wko n ASN 65 N 6.94 -1.10 0.07 6.13 5.15 -1.26 -1.90 115.26 129.29 2wko n ASN 65 Ca 0.18 -3.20 0.11 0.00 -0.60 0.00 0.00 54.58 51.07 2wko n ASN 65 Cb 0.42 0.67 0.43 0.00 -0.53 0.00 0.00 39.78 40.77 2wko n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wko n PRO 66 N 0.90 0.12 -0.33 1.20 -0.04 -1.26 -2.24 135.00 133.36 2wko n PRO 66 Ca 0.15 0.29 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2wko n PRO 66 Cb 0.63 -1.70 0.27 0.00 -0.04 0.00 0.00 33.50 32.66 2wko n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wko n LEU 67 N -1.93 3.68 -3.59 1.53 4.77 -1.26 -5.00 117.00 115.21 2wko n LEU 67 Ca 0.04 -2.04 -0.26 0.00 -0.03 0.00 0.00 56.01 53.72 2wko n LEU 67 Cb 0.25 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2wko n LEU 67 CO 0.20 0.89 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.92 2wko n SER 68 N 1.23 -5.70 -4.72 -1.43 7.64 -0.95 -4.99 113.62 104.70 2wko n SER 68 Ca 0.20 -0.87 -0.25 0.00 1.01 0.00 0.00 58.87 58.97 2wko n SER 68 Cb 0.58 -3.53 -0.08 0.00 -1.01 0.00 0.00 64.21 60.17 2wko n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wko s ARG 69 N -5.36 2.18 0.65 1.43 1.81 -1.26 -5.14 118.95 113.27 2wko s ARG 69 Ca 0.35 -1.86 -0.11 0.00 -1.72 0.00 0.00 55.73 52.39 2wko s ARG 69 Cb -0.12 -1.94 -0.02 0.00 -0.45 0.00 0.00 34.95 32.42 2wko s ARG 69 CO 0.84 -0.08 1.05 0.15 -0.68 0.00 0.00 175.30 176.58 2wko s LYS 70 N -3.86 3.31 0.28 3.54 1.02 -1.26 -4.71 119.74 118.06 2wko s LYS 70 Ca 0.40 0.62 -0.29 0.00 0.02 0.00 0.00 55.97 56.72 2wko s LYS 70 Cb 0.04 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.19 2wko s LYS 70 CO 0.22 -0.74 1.17 -1.58 -0.92 0.00 0.00 175.35 173.50 2wko s HIS 71 N -3.24 3.41 0.19 3.18 5.65 -0.38 -2.76 115.29 121.33 2wko s HIS 71 Ca 0.56 1.57 0.00 0.00 0.25 0.00 0.00 55.06 57.44 2wko s HIS 71 Cb -0.11 -3.42 0.00 0.00 -1.18 0.00 0.00 32.58 27.87 2wko s HIS 71 CO 0.53 -1.02 0.24 0.41 -0.65 0.00 0.00 174.74 174.25 2wko n GLY 72 N 1.26 2.76 3.81 1.59 0.00 -1.24 -4.43 105.19 108.94 2wko n GLY 72 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 2wko n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wko s GLY 73 N -2.18 1.59 0.52 -0.02 0.00 -1.11 -4.75 107.32 101.38 2wko s GLY 73 Ca 0.17 -0.43 0.25 0.00 0.00 0.00 0.00 44.72 44.71 2wko s GLY 73 CO 0.12 0.07 2.09 -0.56 0.00 0.00 0.00 173.10 174.82 2wko h PRO 74 N -1.28 0.00 -0.41 2.90 0.13 -1.87 -2.01 132.00 129.47 2wko h PRO 74 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wko h PRO 74 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2wko h PRO 74 CO 0.62 0.11 0.00 1.63 -0.23 0.00 0.00 178.00 180.13 2wko n LYS 75 N -3.80 2.48 -3.04 0.86 4.76 -1.26 -4.88 118.16 113.27 2wko n LYS 75 Ca -0.02 -2.24 -0.39 0.00 -2.87 0.00 0.00 58.31 52.78 2wko n LYS 75 Cb 0.21 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 2wko n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wko s ASP 76 N -1.45 7.32 0.35 4.39 1.01 -0.76 -4.97 116.67 122.57 2wko s ASP 76 Ca 0.39 1.57 0.17 0.00 0.71 0.00 0.00 52.55 55.39 2wko s ASP 76 Cb 0.23 -2.47 0.61 0.00 1.01 0.00 0.00 42.92 42.29 2wko s ASP 76 CO 0.32 0.22 1.71 -0.33 0.21 0.00 0.00 175.17 177.29 2wko h GLU 77 N 4.35 0.00 -4.64 8.23 5.08 -1.91 -3.38 114.58 122.31 2wko h GLU 77 Ca -0.48 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.18 2wko h GLU 77 Cb 1.21 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.26 2wko h GLU 77 CO 0.65 0.43 -0.35 -2.00 -1.00 0.00 0.00 179.01 176.74 2wko s GLU 78 N -3.63 3.03 0.01 2.33 2.56 -1.26 -5.03 118.70 116.72 2wko s GLU 78 Ca -0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 54.97 53.77 2wko s GLU 78 Cb 0.11 -3.97 0.10 0.00 2.00 0.00 0.00 34.13 32.37 2wko s GLU 78 CO 0.70 -0.77 0.89 -0.98 -0.56 0.00 0.00 175.26 174.54 2wko s ARG 79 N 1.84 0.86 0.47 4.30 1.70 -1.11 -3.67 118.95 123.33 2wko s ARG 79 Ca 0.08 -0.33 -0.22 0.00 -0.47 0.00 0.00 55.73 54.78 2wko s ARG 79 Cb -0.18 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.50 2wko s ARG 79 CO 0.11 -0.38 1.08 -1.01 -1.08 0.00 0.00 175.30 174.03 2wko s HIS 80 N -3.14 2.99 0.25 5.89 3.76 -1.13 -4.72 115.29 119.20 2wko s HIS 80 Ca 0.06 1.58 -0.08 0.00 -0.15 0.00 0.00 55.06 56.47 2wko s HIS 80 Cb -0.01 -3.19 0.43 0.00 1.11 0.00 0.00 32.58 30.92 2wko s HIS 80 CO -0.08 -1.05 1.61 0.28 -0.85 0.00 0.00 174.74 174.65 2wko h VAL 81 N 1.74 0.22 0.00 -0.90 2.07 -1.88 -2.21 116.25 115.29 2wko h VAL 81 Ca -0.49 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2wko h VAL 81 Cb 1.23 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2wko h VAL 81 CO 0.60 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.80 2wko n GLY 82 N -1.49 -0.84 3.55 2.17 0.00 -0.80 -4.27 105.19 103.52 2wko n GLY 82 Ca 0.14 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2wko n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wko s ASP 83 N -1.59 6.09 0.00 1.61 1.01 -0.83 -1.04 116.67 121.92 2wko s ASP 83 Ca 0.20 -0.76 0.21 0.00 0.71 0.00 0.00 52.55 52.92 2wko s ASP 83 Cb 0.09 -2.56 0.59 0.00 1.01 0.00 0.00 42.92 42.05 2wko s ASP 83 CO 0.16 -1.86 1.49 0.18 0.21 0.00 0.00 175.17 175.35 2wko n LEU 84 N 10.00 3.79 0.00 1.23 4.77 -1.03 -3.75 117.00 132.01 2wko n LEU 84 Ca 0.20 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 2wko n LEU 84 Cb 0.50 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2wko n LEU 84 CO 0.68 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 2wko n GLY 85 N 1.51 0.46 3.30 -0.72 0.00 -1.18 -4.78 105.19 103.78 2wko n GLY 85 Ca 0.23 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2wko n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wko s ASN 86 N -4.00 2.91 0.24 1.61 0.01 -1.26 -0.77 114.94 113.67 2wko s ASN 86 Ca 0.00 -0.51 -0.06 0.00 -0.71 0.00 0.00 52.86 51.58 2wko s ASN 86 Cb 0.00 -0.29 -0.06 0.00 0.41 0.00 0.00 41.25 41.32 2wko s ASN 86 CO 0.00 0.26 0.50 0.68 -1.51 0.00 0.00 177.10 177.03 2wko s VAL 87 N -0.69 5.05 -0.18 1.60 -7.23 0.05 -4.87 120.40 114.12 2wko s VAL 87 Ca 0.10 0.12 -0.01 0.00 -1.81 0.00 0.00 61.98 60.37 2wko s VAL 87 Cb -0.09 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.16 2wko s VAL 87 CO 0.01 -0.18 -0.11 0.28 -0.31 0.00 0.00 175.10 174.79 2wko s THR 88 N -1.92 2.91 -0.08 5.32 -1.32 -1.26 -1.20 115.64 118.09 2wko s THR 88 Ca 0.44 -0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 2wko s THR 88 Cb -0.11 -2.27 -0.05 0.00 -1.51 0.00 0.00 72.50 68.56 2wko s THR 88 CO 0.27 0.48 0.28 0.00 -2.21 0.00 0.00 174.62 173.44 2wko s ALA 89 N 1.08 3.74 0.88 11.08 0.00 0.52 -4.22 121.76 134.84 2wko s ALA 89 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2wko s ALA 89 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2wko s ALA 89 CO -0.03 0.44 0.00 -0.40 0.00 0.00 0.00 175.76 175.77 2wko n ASP 90 N 2.28 0.00 0.22 0.00 5.68 -0.05 -1.58 116.55 123.11 2wko n ASP 90 Ca -0.16 -0.99 0.09 0.00 -0.50 0.00 0.00 54.79 53.23 2wko n ASP 90 Cb 0.53 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.96 2wko n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2wko h LYS 91 N 0.00 0.00 -0.78 0.11 2.10 -1.96 -1.58 116.57 114.46 2wko h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wko h LYS 91 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2wko h LYS 91 CO 0.00 0.24 0.00 -0.25 -2.00 0.00 0.00 179.45 177.44 2wko n ASP 92 N -3.42 2.78 -1.67 7.07 8.00 -1.26 -4.91 116.55 123.15 2wko n ASP 92 Ca 0.00 -2.34 -0.21 0.00 0.71 0.00 0.00 54.79 52.95 2wko n ASP 92 Cb 0.43 -0.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 2wko n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wko n ALA 93 N 0.26 -0.35 -2.82 2.24 0.00 -0.60 -4.76 120.51 114.49 2wko n ALA 93 Ca 0.11 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2wko n ALA 93 Cb 0.60 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.89 2wko n ALA 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wko s VAL 94 N -2.80 4.72 -0.26 0.00 1.01 -1.26 -1.25 120.40 120.56 2wko s VAL 94 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2wko s VAL 94 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2wko s VAL 94 CO 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 2wko s ALA 95 N 0.07 2.84 -0.29 5.51 0.00 0.71 -0.87 121.76 129.73 2wko s ALA 95 Ca 0.05 -1.41 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 2wko s ALA 95 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 2wko s ALA 95 CO 0.01 -0.79 0.66 -0.51 0.00 0.00 0.00 175.76 175.13 2wko s ASP 96 N 1.41 6.55 -0.21 0.00 1.01 -1.26 -0.73 116.67 123.44 2wko s ASP 96 Ca 0.02 0.56 -0.12 0.00 0.71 0.00 0.00 52.55 53.72 2wko s ASP 96 Cb -0.16 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 2wko s ASP 96 CO -0.02 -0.47 0.22 -0.69 0.21 0.00 0.00 175.17 174.42 2wko s VAL 97 N 2.63 5.33 -0.27 -1.27 1.01 0.20 -4.85 120.40 123.19 2wko s VAL 97 Ca 0.27 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 2wko s VAL 97 Cb -0.15 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.82 2wko s VAL 97 CO 0.11 0.36 0.36 -0.55 0.00 0.00 0.00 175.10 175.38 2wko s SER 98 N 0.78 0.67 0.05 3.32 0.15 -1.25 -1.63 113.70 115.79 2wko s SER 98 Ca 0.11 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.57 2wko s SER 98 Cb -0.13 0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 65.09 2wko s SER 98 CO 0.03 -0.34 -0.14 -0.63 1.20 0.00 0.00 173.24 173.36 2wko s ILE 99 N 2.49 1.12 -0.10 6.45 1.01 0.11 -5.01 121.20 127.27 2wko s ILE 99 Ca 0.10 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2wko s ILE 99 Cb -0.14 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2wko s ILE 99 CO -0.25 -0.07 -0.17 -0.70 0.00 0.00 0.00 174.94 173.75 2wko s GLU 100 N -1.34 2.37 -0.00 2.79 2.12 -1.26 -0.64 118.70 122.74 2wko s GLU 100 Ca 0.01 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.77 2wko s GLU 100 Cb -0.09 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.36 2wko s GLU 100 CO 0.02 0.02 -0.20 0.34 -0.54 0.00 0.00 175.26 174.90 2wko s ASP 101 N 0.74 2.32 0.07 -1.70 2.15 0.42 -4.95 116.67 115.72 2wko s ASP 101 Ca -0.11 -0.39 0.23 0.00 0.43 0.00 0.00 52.55 52.70 2wko s ASP 101 Cb -0.16 -0.24 -0.06 0.00 -0.30 0.00 0.00 42.92 42.16 2wko s ASP 101 CO 0.02 0.22 0.90 -1.20 -0.17 0.00 0.00 175.17 174.94 2wko n SER 102 N 2.42 0.54 -0.13 -0.34 7.64 -1.26 -0.84 113.62 121.64 2wko n SER 102 Ca -0.16 -0.05 -0.25 0.00 1.01 0.00 0.00 58.87 59.43 2wko n SER 102 Cb 0.53 1.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.62 2wko n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wko n VAL 103 N -2.20 1.51 -1.49 0.44 0.31 -1.26 -4.92 118.33 110.72 2wko n VAL 103 Ca 0.00 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.53 2wko n VAL 103 Cb 0.49 -1.68 0.08 0.00 -0.91 0.00 0.00 33.84 31.83 2wko n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2wko s ILE 104 N -2.51 2.69 0.09 2.52 -4.36 -1.26 -4.83 121.20 113.53 2wko s ILE 104 Ca -0.37 0.32 -0.07 0.00 -0.26 0.00 0.00 60.65 60.26 2wko s ILE 104 Cb 0.12 -2.82 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 2wko s ILE 104 CO 0.54 -0.20 0.16 -0.55 0.24 0.00 0.00 174.94 175.13 2wko s SER 105 N -2.36 0.17 -0.11 4.36 0.15 -0.87 -4.61 113.70 110.44 2wko s SER 105 Ca 0.70 -0.73 0.15 0.00 0.70 0.00 0.00 55.95 56.78 2wko s SER 105 Cb -0.25 0.33 0.64 0.00 -1.71 0.00 0.00 66.02 65.03 2wko s SER 105 CO 0.45 -0.72 1.53 0.18 1.20 0.00 0.00 173.24 175.88 2wko n LEU 106 N -0.05 4.33 -3.91 3.45 4.77 -1.26 -2.08 117.00 122.25 2wko n LEU 106 Ca -0.14 -2.18 -0.09 0.00 -0.03 0.00 0.00 56.01 53.56 2wko n LEU 106 Cb 0.62 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2wko n LEU 106 CO 0.24 0.70 0.19 -0.44 -1.33 0.00 0.00 177.39 176.74 2wko s SER 107 N -0.81 -0.13 0.24 -1.43 0.01 -1.26 -4.89 113.70 105.42 2wko s SER 107 Ca 0.45 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2wko s SER 107 Cb 0.30 0.57 0.00 0.00 0.21 0.00 0.00 66.02 67.09 2wko s SER 107 CO 0.20 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2wko n GLY 108 N -0.34 -0.83 0.04 3.44 0.00 -1.26 -3.98 105.19 102.26 2wko n GLY 108 Ca -0.05 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.93 2wko n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wko n ASP 109 N -0.63 0.27 -4.46 1.61 3.85 -1.26 -4.91 116.55 111.03 2wko n ASP 109 Ca 0.00 0.53 -0.44 0.00 -0.71 0.00 0.00 54.79 54.17 2wko n ASP 109 Cb 0.00 -0.60 -0.05 0.00 -1.35 0.00 0.00 41.12 39.12 2wko n ASP 109 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 2wko s HIS 110 N -3.04 2.96 0.00 2.11 3.76 -1.26 -4.89 115.29 114.94 2wko s HIS 110 Ca 0.13 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2wko s HIS 110 Cb 0.17 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 30.10 2wko s HIS 110 CO 0.54 -1.17 0.00 0.44 -0.85 0.00 0.00 174.74 173.70 2wko n ILE 112 N 5.78 0.00 -2.02 0.60 -5.35 -0.89 -2.04 119.36 115.44 2wko n ILE 112 Ca -0.04 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 2wko n ILE 112 Cb 0.46 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 2wko n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2wko s ILE 113 N 0.00 2.69 0.00 7.28 1.01 -1.26 -2.34 121.20 128.57 2wko s ILE 113 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2wko s ILE 113 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2wko s ILE 113 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2wko n GLY 114 N 2.35 0.75 1.46 6.18 0.00 0.61 -5.00 105.19 111.54 2wko n GLY 114 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2wko n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wko n ARG 115 N -2.15 1.24 -4.98 1.61 1.74 -0.99 -2.59 116.66 110.53 2wko n ARG 115 Ca 0.00 -1.34 -0.32 0.00 -0.77 0.00 0.00 57.85 55.41 2wko n ARG 115 Cb 0.00 0.18 -0.15 0.00 -1.02 0.00 0.00 32.46 31.48 2wko n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wko s THR 116 N -1.15 2.72 -0.11 0.55 2.01 -1.13 -0.53 115.64 118.00 2wko s THR 116 Ca 0.10 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 2wko s THR 116 Cb -0.01 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 2wko s THR 116 CO 0.06 0.56 0.29 -0.22 -0.69 0.00 0.00 174.62 174.62 2wko s LEU 117 N -0.14 4.34 -0.05 4.42 2.96 -0.42 0.44 118.68 130.22 2wko s LEU 117 Ca -0.02 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 2wko s LEU 117 Cb -0.14 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.19 2wko s LEU 117 CO 0.04 0.23 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.45 2wko s VAL 118 N -0.27 1.31 -0.14 1.68 1.01 0.12 -1.95 120.40 122.17 2wko s VAL 118 Ca 0.18 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2wko s VAL 118 Cb -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2wko s VAL 118 CO 0.06 0.39 0.01 0.54 0.00 0.00 0.00 175.10 176.10 2wko s VAL 119 N 0.29 4.35 0.30 2.92 0.11 -0.42 -1.47 120.40 126.49 2wko s VAL 119 Ca -0.09 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 58.83 2wko s VAL 119 Cb -0.13 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2wko s VAL 119 CO 0.03 0.52 0.26 -1.00 -3.33 0.00 0.00 175.10 171.58 2wko s HIS 120 N -0.01 2.99 0.25 1.54 3.76 -0.46 0.37 115.29 123.73 2wko s HIS 120 Ca 0.03 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2wko s HIS 120 Cb -0.13 -1.65 0.32 0.00 1.11 0.00 0.00 32.58 32.23 2wko s HIS 120 CO 0.02 0.31 1.67 1.49 -0.85 0.00 0.00 174.74 177.38 2wko h GLU 121 N 1.33 0.56 -5.04 1.40 4.81 -1.06 -3.39 114.58 113.19 2wko h GLU 121 Ca -0.46 -0.23 -0.52 0.00 -0.13 0.00 0.00 59.36 58.02 2wko h GLU 121 Cb 1.25 -0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 2wko h GLU 121 CO 0.59 0.78 -0.53 0.15 -0.73 0.00 0.00 179.01 179.27 2wko s LYS 122 N -4.45 1.84 0.36 1.92 1.02 -0.25 -4.90 119.74 115.27 2wko s LYS 122 Ca -0.07 -2.10 -0.27 0.00 0.02 0.00 0.00 55.97 53.55 2wko s LYS 122 Cb 0.13 -0.55 -0.09 0.00 -0.52 0.00 0.00 37.83 36.79 2wko s LYS 122 CO 0.81 -0.44 1.25 0.00 -0.92 0.00 0.00 175.35 176.05 2wko s ALA 123 N -3.29 3.35 -0.12 5.17 0.00 -1.14 -1.63 121.76 124.10 2wko s ALA 123 Ca 0.28 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2wko s ALA 123 Cb 0.04 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2wko s ALA 123 CO 0.15 -0.61 1.14 0.34 0.00 0.00 0.00 175.76 176.78 2wko s ASP 124 N -0.74 7.09 0.00 0.00 -1.08 -1.26 -3.88 116.67 116.80 2wko s ASP 124 Ca 0.52 1.65 0.11 0.00 -0.52 0.00 0.00 52.55 54.31 2wko s ASP 124 Cb -0.36 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.20 2wko s ASP 124 CO 0.47 -0.60 1.25 -0.90 0.52 0.00 0.00 175.17 175.91 2wko n ASP 125 N 5.61 0.00 -1.20 -0.34 5.68 0.56 -4.87 116.55 122.00 2wko n ASP 125 Ca 0.11 -1.21 -0.16 0.00 -0.50 0.00 0.00 54.79 53.04 2wko n ASP 125 Cb 0.47 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.38 2wko n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2wko n LEU 126 N -0.72 -1.03 0.00 -2.12 4.77 -1.26 -2.08 117.00 114.56 2wko n LEU 126 Ca 0.08 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2wko n LEU 126 Cb 0.04 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.63 2wko n LEU 126 CO 0.06 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 2wko n GLY 127 N -0.61 0.55 1.23 -0.72 0.00 -1.25 -2.75 105.19 101.64 2wko n GLY 127 Ca -0.16 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.53 2wko n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wko n LYS 128 N -2.81 2.74 -2.18 1.61 4.76 -0.88 -4.57 118.16 116.82 2wko n LYS 128 Ca 0.00 -2.54 -0.29 0.00 -2.87 0.00 0.00 58.31 52.60 2wko n LYS 128 Cb 0.00 -1.52 0.01 0.00 -1.84 0.00 0.00 35.03 31.68 2wko n LYS 128 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wko s GLY 129 N -1.02 1.59 -0.63 0.72 0.00 -1.26 -4.98 107.32 101.74 2wko s GLY 129 Ca 0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 2wko s GLY 129 CO 0.30 -0.06 2.70 0.61 0.00 0.00 0.00 173.10 176.66 2wko n GLY 130 N -2.58 4.52 3.34 0.20 0.00 -1.26 -4.83 105.19 104.58 2wko n GLY 130 Ca 0.04 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2wko n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wko s ASN 131 N 0.38 -0.32 0.28 1.61 2.20 -1.26 -5.05 114.94 112.79 2wko s ASN 131 Ca 0.58 -0.22 -0.01 0.00 -0.94 0.00 0.00 52.86 52.26 2wko s ASN 131 Cb 0.34 0.50 0.41 0.00 -2.00 0.00 0.00 41.25 40.50 2wko s ASN 131 CO -0.19 -0.87 1.85 -0.08 -2.94 0.00 0.00 177.10 174.86 2wko h GLU 132 N 2.31 0.86 -1.01 3.55 4.81 -2.01 -2.98 114.58 120.11 2wko h GLU 132 Ca -0.34 -0.16 0.24 0.00 -0.13 0.00 0.00 59.36 58.97 2wko h GLU 132 Cb 1.27 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2wko h GLU 132 CO 0.45 0.74 0.64 1.49 -0.73 0.00 0.00 179.01 181.59 2wko h GLU 133 N 0.84 0.49 -0.94 1.92 4.57 -1.96 -0.01 114.58 119.48 2wko h GLU 133 Ca 0.19 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.48 2wko h GLU 133 Cb 0.24 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.63 2wko h GLU 133 CO -0.01 0.32 0.56 1.03 -1.18 0.00 0.00 179.01 179.74 2wko h SER 134 N 0.50 0.77 0.00 1.04 0.87 -1.85 0.17 113.55 115.06 2wko h SER 134 Ca 0.58 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 2wko h SER 134 Cb 1.28 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2wko h SER 134 CO -0.32 0.37 0.00 0.35 -0.53 0.00 0.00 176.83 176.70 2wko n THR 135 N -4.72 0.00 -0.03 2.23 -2.24 -0.02 -2.10 114.28 107.39 2wko n THR 135 Ca 0.19 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.91 2wko n THR 135 Cb 0.41 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 2wko n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wko n LYS 136 N -0.99 0.13 0.00 -0.78 5.02 0.05 -1.26 118.16 120.33 2wko n LYS 136 Ca 0.20 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2wko n LYS 136 Cb 0.09 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2wko n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wko n THR 137 N -3.18 0.00 -0.95 -0.18 -2.24 0.39 -4.71 114.28 103.40 2wko n THR 137 Ca -0.12 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2wko n THR 137 Cb 0.59 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 2wko n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wko n GLY 138 N 0.76 0.63 2.54 3.38 0.00 -0.89 -3.77 105.19 107.83 2wko n GLY 138 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2wko n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wko n ASN 139 N -0.08 -5.56 0.00 1.61 3.02 -1.26 -0.32 115.26 112.67 2wko n ASN 139 Ca 0.00 -0.10 0.13 0.00 -0.03 0.00 0.00 54.58 54.58 2wko n ASN 139 Cb 0.04 -4.53 0.67 0.00 -0.61 0.00 0.00 39.78 35.35 2wko n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wko n ALA 140 N -2.41 2.34 0.00 5.41 0.00 -1.25 -4.79 120.51 119.81 2wko n ALA 140 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2wko n ALA 140 Cb 0.65 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2wko n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wko n GLY 141 N 1.11 -1.67 3.72 0.00 0.00 -1.26 -1.09 105.19 105.99 2wko n GLY 141 Ca 0.12 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 2wko n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wko s SER 142 N -4.00 3.66 -0.30 1.61 1.04 -1.26 -4.57 113.70 109.88 2wko s SER 142 Ca 0.00 1.97 -0.22 0.00 0.48 0.00 0.00 55.95 58.18 2wko s SER 142 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 2wko s SER 142 CO 0.00 -2.60 0.73 -0.13 0.98 0.00 0.00 173.24 172.23 2wko s ARG 143 N -4.78 3.98 -0.06 4.02 0.52 -1.26 -0.91 118.95 120.46 2wko s ARG 143 Ca 0.64 0.54 0.05 0.00 -0.52 0.00 0.00 55.73 56.44 2wko s ARG 143 Cb -0.20 -3.71 -0.24 0.00 0.52 0.00 0.00 34.95 31.31 2wko s ARG 143 CO 0.57 -0.61 0.60 -0.07 0.02 0.00 0.00 175.30 175.80 2wko h LEU 144 N 9.31 0.16 -7.37 2.53 3.38 -0.38 -3.48 115.31 119.47 2wko h LEU 144 Ca -0.25 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.41 2wko h LEU 144 Cb 1.10 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 2wko h LEU 144 CO 0.85 1.31 0.29 0.00 0.09 0.00 0.00 178.44 180.98 2wko s ALA 145 N -2.59 -1.53 0.11 1.53 0.00 -1.12 -4.27 121.76 113.89 2wko s ALA 145 Ca -0.11 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 2wko s ALA 145 Cb 0.07 0.78 0.07 0.00 0.00 0.00 0.00 23.12 24.05 2wko s ALA 145 CO 0.81 -0.87 0.94 0.00 0.00 0.00 0.00 175.76 176.64 2wko s GLY 147 N -2.81 -0.52 0.18 0.00 0.00 -0.82 -0.79 107.32 102.57 2wko s GLY 147 Ca 0.10 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 2wko s GLY 147 CO -0.01 0.43 0.91 0.14 0.00 0.00 0.00 173.10 174.56 2wko s VAL 148 N -2.87 4.27 -0.29 1.40 1.01 -1.26 -1.31 120.40 121.35 2wko s VAL 148 Ca 0.01 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.74 2wko s VAL 148 Cb -0.01 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 2wko s VAL 148 CO -0.07 0.45 0.81 -0.63 0.00 0.00 0.00 175.10 175.67 2wko s ILE 149 N -0.82 4.79 0.35 2.22 1.01 0.31 -4.48 121.20 124.59 2wko s ILE 149 Ca 0.41 1.32 0.09 0.00 0.00 0.00 0.00 60.65 62.47 2wko s ILE 149 Cb -0.24 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2wko s ILE 149 CO 0.30 -0.21 -0.08 -0.83 0.00 0.00 0.00 174.94 174.11 2wko s GLY 150 N 1.55 2.21 0.12 6.18 0.00 -0.33 -0.28 107.32 116.76 2wko s GLY 150 Ca 0.34 -2.10 -0.31 0.00 0.00 0.00 0.00 44.72 42.65 2wko s GLY 150 CO 0.11 -2.03 1.28 -0.42 0.00 0.00 0.00 173.10 172.04 2wko s ILE 151 N -2.61 3.60 0.33 0.90 1.01 -1.26 -0.61 121.20 122.56 2wko s ILE 151 Ca 0.33 1.19 0.09 0.00 0.00 0.00 0.00 60.65 62.27 2wko s ILE 151 Cb 0.03 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 2wko s ILE 151 CO 0.17 0.12 -0.04 0.00 0.00 0.00 0.00 174.94 175.19 2wko s ALA 152 N 0.77 3.09 -2.00 9.38 0.00 -0.48 -4.81 121.76 127.70 2wko s ALA 152 Ca 0.59 -1.96 0.30 0.00 0.00 0.00 0.00 51.96 50.89 2wko s ALA 152 Cb -0.33 -0.31 1.78 0.00 0.00 0.00 0.00 23.12 24.26 2wko s ALA 152 CO 0.32 0.11 2.11 0.94 0.00 0.00 0.00 175.76 179.24