#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 n THR 2 N 0.00 3.69 -3.63 0.00 -2.24 -1.26 -4.75 114.28 106.10 2af2 n THR 2 Ca 0.00 -2.62 -0.04 0.00 -2.27 0.00 0.00 64.05 59.12 2af2 n THR 2 Cb 0.00 -2.56 -0.06 0.00 -2.10 0.00 0.00 70.33 65.61 2af2 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2af2 s LYS 3 N 2.84 0.61 0.50 -0.78 2.20 -1.25 -4.03 119.74 119.83 2af2 s LYS 3 Ca 0.58 1.22 0.02 0.00 -0.36 0.00 0.00 55.97 57.42 2af2 s LYS 3 Cb 0.16 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.85 2af2 s LYS 3 CO -0.06 -0.16 0.02 0.00 -0.36 0.00 0.00 175.35 174.79 2af2 s ALA 4 N 2.06 4.03 -0.02 3.13 0.00 0.83 -2.24 121.76 129.56 2af2 s ALA 4 Ca -0.08 -0.61 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2af2 s ALA 4 Cb -0.07 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.11 2af2 s ALA 4 CO -0.19 -0.05 0.58 0.54 0.00 0.00 0.00 175.76 176.65 2af2 s VAL 5 N -2.85 0.02 -0.14 0.00 0.11 -0.69 -1.02 120.40 115.83 2af2 s VAL 5 Ca 0.10 -0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2af2 s VAL 5 Cb 0.02 -0.93 0.07 0.00 -1.53 0.00 0.00 36.38 34.01 2af2 s VAL 5 CO 0.05 -0.07 0.19 0.00 -3.33 0.00 0.00 175.10 171.94 2af2 s ALA 6 N -1.52 -0.18 -0.65 1.54 0.00 -0.63 -2.07 121.76 118.25 2af2 s ALA 6 Ca -0.10 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 2af2 s ALA 6 Cb -0.01 -1.05 0.17 0.00 0.00 0.00 0.00 23.12 22.22 2af2 s ALA 6 CO 0.06 -0.88 0.59 0.08 0.00 0.00 0.00 175.76 175.61 2af2 s VAL 7 N 2.30 5.18 0.49 0.00 1.01 -1.25 -1.43 120.40 126.70 2af2 s VAL 7 Ca 0.04 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 59.85 2af2 s VAL 7 Cb -0.14 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2af2 s VAL 7 CO -0.09 -0.92 0.98 -0.76 0.00 0.00 0.00 175.10 174.31 2af2 s LEU 8 N 0.92 3.75 0.10 3.92 1.02 0.76 -4.66 118.68 124.49 2af2 s LEU 8 Ca 0.10 1.65 -0.16 0.00 0.02 0.00 0.00 54.13 55.74 2af2 s LEU 8 Cb -0.21 -4.53 0.03 0.00 0.02 0.00 0.00 46.19 41.51 2af2 s LEU 8 CO -0.02 -0.55 0.39 -0.75 0.02 0.00 0.00 176.35 175.44 2af2 s LYS 9 N -3.68 1.02 0.15 1.70 2.20 -0.03 -1.16 119.74 119.94 2af2 s LYS 9 Ca 0.61 -0.62 0.05 0.00 -0.36 0.00 0.00 55.97 55.65 2af2 s LYS 9 Cb -0.10 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2af2 s LYS 9 CO 0.24 -0.38 -0.12 0.20 -0.36 0.00 0.00 175.35 174.93 2af2 s GLY 10 N -2.59 1.13 -1.11 5.54 0.00 -0.60 -1.22 107.32 108.46 2af2 s GLY 10 Ca 0.01 -1.45 -0.23 0.00 0.00 0.00 0.00 44.72 43.05 2af2 s GLY 10 CO -0.09 -1.54 1.87 0.99 0.00 0.00 0.00 173.10 174.33 2af2 s ASP 11 N -2.97 5.42 0.00 1.64 1.11 -1.26 -4.36 116.67 116.25 2af2 s ASP 11 Ca 0.15 -1.49 0.00 0.00 0.18 0.00 0.00 52.55 51.39 2af2 s ASP 11 Cb -0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2af2 s ASP 11 CO 0.02 -2.61 0.00 0.61 1.18 0.00 0.00 175.17 174.37 2af2 n GLY 12 N 6.12 0.32 1.00 0.21 0.00 -1.26 -4.98 105.19 106.59 2af2 n GLY 12 Ca 0.43 -1.27 0.09 0.00 0.00 0.00 0.00 46.02 45.27 2af2 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 13 N 0.00 2.25 -3.56 1.61 -0.04 -1.26 -4.93 135.00 129.07 2af2 n PRO 13 Ca 0.00 -1.94 -0.37 0.00 -0.04 0.00 0.00 63.50 61.15 2af2 n PRO 13 Cb 0.00 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 2af2 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2af2 s VAL 14 N -1.30 5.25 0.17 0.52 1.01 -1.26 -4.43 120.40 120.35 2af2 s VAL 14 Ca 0.36 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 2af2 s VAL 14 Cb 0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2af2 s VAL 14 CO 0.25 0.47 0.33 -1.10 0.00 0.00 0.00 175.10 175.05 2af2 s GLN 15 N -0.15 1.18 -0.34 2.72 1.11 -0.40 -1.56 119.66 122.22 2af2 s GLN 15 Ca 0.19 -1.08 0.01 0.00 0.01 0.00 0.00 55.36 54.48 2af2 s GLN 15 Cb -0.14 0.41 0.11 0.00 -1.01 0.00 0.00 33.01 32.38 2af2 s GLN 15 CO 0.07 -0.45 0.12 0.20 0.01 0.00 0.00 175.29 175.24 2af2 s GLY 16 N -2.94 1.35 -0.47 3.09 0.00 -0.31 -0.50 107.32 107.54 2af2 s GLY 16 Ca 0.14 -2.02 -0.18 0.00 0.00 0.00 0.00 44.72 42.67 2af2 s GLY 16 CO -0.02 1.49 0.51 -1.50 0.00 0.00 0.00 173.10 173.59 2af2 s ILE 17 N 1.23 5.03 0.06 0.90 1.10 -0.29 -0.17 121.20 129.05 2af2 s ILE 17 Ca 0.12 -0.61 0.04 0.00 -0.51 0.00 0.00 60.65 59.69 2af2 s ILE 17 Cb -0.19 -4.18 -0.03 0.00 0.15 0.00 0.00 42.46 38.21 2af2 s ILE 17 CO -0.17 -0.64 -0.11 0.27 -2.11 0.00 0.00 174.94 172.18 2af2 s ILE 18 N 2.24 0.80 0.05 2.00 -4.36 -0.51 -0.34 121.20 121.08 2af2 s ILE 18 Ca 0.11 -1.19 0.08 0.00 -0.26 0.00 0.00 60.65 59.39 2af2 s ILE 18 Cb -0.20 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.65 2af2 s ILE 18 CO 0.11 -0.32 -0.23 0.20 0.24 0.00 0.00 174.94 174.94 2af2 s ASN 19 N -1.67 2.77 -0.30 4.36 0.02 -0.16 -1.60 114.94 118.36 2af2 s ASN 19 Ca -0.06 -0.57 0.03 0.00 -1.02 0.00 0.00 52.86 51.24 2af2 s ASN 19 Cb -0.10 -0.23 0.08 0.00 0.02 0.00 0.00 41.25 41.02 2af2 s ASN 19 CO 0.01 0.19 -0.02 -0.36 0.02 0.00 0.00 177.10 176.94 2af2 s PHE 20 N -0.84 3.36 -0.22 2.20 0.40 -0.19 -2.29 117.98 120.40 2af2 s PHE 20 Ca 0.09 -2.57 -0.24 0.00 -0.60 0.00 0.00 56.93 53.62 2af2 s PHE 20 Cb -0.09 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 2af2 s PHE 20 CO 0.02 -0.90 0.77 -2.00 0.70 0.00 0.00 175.22 173.81 2af2 s GLU 21 N 1.05 4.20 -0.11 0.44 -6.30 -0.45 -0.12 118.70 117.42 2af2 s GLU 21 Ca 0.01 0.86 -0.09 0.00 -2.50 0.00 0.00 54.97 53.25 2af2 s GLU 21 Cb -0.19 -3.62 0.03 0.00 0.00 0.00 0.00 34.13 30.35 2af2 s GLU 21 CO -0.07 -0.43 0.28 -1.14 0.02 0.00 0.00 175.26 173.92 2af2 s GLN 22 N 2.54 0.31 0.06 4.30 2.00 -1.26 -2.03 119.66 125.58 2af2 s GLN 22 Ca 0.33 0.43 0.19 0.00 -2.00 0.00 0.00 55.36 54.31 2af2 s GLN 22 Cb -0.16 0.11 -0.14 0.00 0.80 0.00 0.00 33.01 33.62 2af2 s GLN 22 CO 0.09 -0.06 0.77 0.36 -0.50 0.00 0.00 175.29 175.95 2af2 n LYS 23 N 3.20 0.63 0.00 1.67 0.00 -1.26 -3.99 118.16 118.41 2af2 n LYS 23 Ca -0.15 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2af2 n LYS 23 Cb 0.57 -1.76 0.00 0.00 -0.00 0.00 0.00 35.03 33.84 2af2 n LYS 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2af2 n GLU 24 N -2.77 0.00 -0.25 -1.58 -0.00 -1.26 -4.97 120.64 109.81 2af2 n GLU 24 Ca -0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.15 2af2 n GLU 24 Cb 0.78 0.00 0.21 0.00 -0.00 0.00 0.00 31.44 32.43 2af2 n GLU 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2af2 n SER 25 N 0.00 3.31 0.00 -1.84 7.64 -1.26 -3.47 113.62 118.00 2af2 n SER 25 Ca 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.86 2af2 n SER 25 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2af2 n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2af2 n ASN 26 N 0.87 0.06 -4.96 6.43 6.94 -1.26 -4.61 115.26 118.73 2af2 n ASN 26 Ca 0.16 -0.21 -0.22 0.00 -0.02 0.00 0.00 54.58 54.29 2af2 n ASN 26 Cb 0.50 0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 38.35 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2af2 s GLY 27 N -0.45 1.30 0.50 4.83 0.00 -1.26 -4.97 107.32 107.27 2af2 s GLY 27 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 44.72 43.37 2af2 s GLY 27 CO 0.00 -1.13 1.01 2.56 0.00 0.00 0.00 173.10 175.54 2af2 s PRO 28 N -4.12 3.83 -0.04 2.90 0.04 -1.26 -4.16 135.00 132.19 2af2 s PRO 28 Ca 0.37 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.70 2af2 s PRO 28 Cb -0.09 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2af2 s PRO 28 CO 0.32 -0.39 -0.25 0.08 0.04 0.00 0.00 177.00 176.80 2af2 s VAL 29 N -2.21 2.10 -0.10 -0.36 1.01 -0.99 -4.80 120.40 115.05 2af2 s VAL 29 Ca 0.64 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 2af2 s VAL 29 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2af2 s VAL 29 CO 0.23 0.58 0.81 -0.54 0.00 0.00 0.00 175.10 176.18 2af2 s LYS 30 N -0.39 4.39 -0.16 2.72 1.02 -0.86 -2.29 119.74 124.18 2af2 s LYS 30 Ca 0.03 1.04 -0.04 0.00 0.02 0.00 0.00 55.97 57.02 2af2 s LYS 30 Cb -0.12 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 2af2 s LYS 30 CO 0.01 -0.14 -0.01 0.08 -0.92 0.00 0.00 175.35 174.37 2af2 s VAL 31 N 1.45 4.10 0.19 3.17 1.01 0.10 -1.34 120.40 129.09 2af2 s VAL 31 Ca 0.40 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2af2 s VAL 31 Cb -0.18 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2af2 s VAL 31 CO 0.17 0.49 0.40 -1.66 0.00 0.00 0.00 175.10 174.50 2af2 s TRP 32 N 0.34 0.21 -2.48 5.22 -2.14 -0.97 -0.76 118.94 118.36 2af2 s TRP 32 Ca -0.02 -0.57 0.00 0.00 2.66 0.00 0.00 56.10 58.17 2af2 s TRP 32 Cb -0.14 0.14 0.00 0.00 -3.10 0.00 0.00 33.47 30.38 2af2 s TRP 32 CO 0.02 -0.84 0.00 0.41 -2.66 0.00 0.00 176.95 173.89 2af2 n GLY 33 N -0.29 0.50 2.86 3.67 0.00 -0.62 -0.99 105.19 110.31 2af2 n GLY 33 Ca -0.07 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 2af2 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2af2 s SER 34 N -4.00 0.19 -0.37 1.61 1.04 0.54 -0.93 113.70 111.78 2af2 s SER 34 Ca 0.00 0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 2af2 s SER 34 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2af2 s SER 34 CO 0.00 -0.17 0.24 -0.63 0.98 0.00 0.00 173.24 173.66 2af2 s ILE 35 N 1.46 5.07 0.10 -1.02 -1.09 -0.81 -1.14 121.20 123.78 2af2 s ILE 35 Ca -0.06 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 57.93 2af2 s ILE 35 Cb -0.12 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2af2 s ILE 35 CO -0.05 -0.14 -0.15 -1.59 -1.23 0.00 0.00 174.94 171.78 2af2 s LYS 36 N 1.67 0.94 0.00 2.79 -2.85 0.35 -0.81 119.74 121.82 2af2 s LYS 36 Ca 0.05 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 2af2 s LYS 36 Cb -0.18 -0.91 0.00 0.00 -2.06 0.00 0.00 37.83 34.68 2af2 s LYS 36 CO 0.09 0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.14 2af2 n GLY 37 N 0.93 0.76 0.00 0.59 0.00 0.31 -1.28 105.19 106.50 2af2 n GLY 37 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2af2 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2af2 n LEU 38 N 0.00 0.00 -4.00 0.99 4.32 -0.40 -4.79 117.00 113.12 2af2 n LEU 38 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2af2 n LEU 38 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 2af2 n LEU 38 CO 0.00 -0.21 0.20 0.28 -1.22 0.00 0.00 177.39 176.43 2af2 s THR 39 N -0.16 0.00 0.22 -5.08 -1.32 -1.26 -4.34 115.64 103.70 2af2 s THR 39 Ca 0.00 -1.40 -0.31 0.00 -1.21 0.00 0.00 61.69 58.77 2af2 s THR 39 Cb 0.00 -2.27 -0.15 0.00 -1.51 0.00 0.00 72.50 68.57 2af2 s THR 39 CO 0.00 0.00 1.09 1.21 -2.21 0.00 0.00 174.62 174.71 2af2 n GLU 40 N -0.41 1.24 0.00 7.08 2.13 -1.19 -4.42 120.64 125.07 2af2 n GLU 40 Ca -0.02 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2af2 n GLU 40 Cb 0.62 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2af2 n GLY 41 N 1.71 -2.49 3.80 8.31 0.00 -0.51 -4.89 105.19 111.12 2af2 n GLY 41 Ca 0.13 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2af2 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 42 N 0.00 3.04 -0.13 0.99 1.02 -1.26 -1.34 118.68 121.00 2af2 s LEU 42 Ca 0.00 1.67 -0.10 0.00 0.02 0.00 0.00 54.13 55.72 2af2 s LEU 42 Cb 0.00 -4.45 0.04 0.00 0.02 0.00 0.00 46.19 41.80 2af2 s LEU 42 CO 0.00 -1.72 0.33 -1.00 0.02 0.00 0.00 176.35 173.98 2af2 s HIS 43 N -3.00 -0.40 0.59 0.29 3.76 0.15 -1.38 115.29 115.31 2af2 s HIS 43 Ca 0.59 0.94 -0.19 0.00 -0.15 0.00 0.00 55.06 56.25 2af2 s HIS 43 Cb -0.15 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 2af2 s HIS 43 CO 0.55 -0.22 1.13 0.41 -0.85 0.00 0.00 174.74 175.77 2af2 n GLY 44 N 3.41 0.13 2.62 -2.22 0.00 -0.91 -0.01 105.19 108.22 2af2 n GLY 44 Ca -0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2af2 n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2af2 n PHE 45 N -1.57 -2.79 -4.36 1.61 7.35 -1.13 -0.80 117.46 115.76 2af2 n PHE 45 Ca 0.13 -2.07 -0.21 0.00 -0.76 0.00 0.00 57.45 54.55 2af2 n PHE 45 Cb 0.46 1.05 -0.11 0.00 0.35 0.00 0.00 39.48 41.24 2af2 n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2af2 s HIS 46 N 0.52 1.86 0.32 -5.13 3.76 -1.02 -1.90 115.29 113.70 2af2 s HIS 46 Ca 0.31 -0.49 -0.12 0.00 -0.15 0.00 0.00 55.06 54.62 2af2 s HIS 46 Cb 0.04 -0.88 -0.08 0.00 1.11 0.00 0.00 32.58 32.77 2af2 s HIS 46 CO -0.11 0.41 0.68 0.14 -0.85 0.00 0.00 174.74 175.01 2af2 s VAL 47 N -2.48 4.80 0.40 -0.90 -7.23 0.06 -0.67 120.40 114.36 2af2 s VAL 47 Ca 0.21 0.68 0.08 0.00 -1.81 0.00 0.00 61.98 61.13 2af2 s VAL 47 Cb -0.04 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 2af2 s VAL 47 CO 0.08 -0.25 0.16 -1.00 -0.31 0.00 0.00 175.10 173.78 2af2 s HIS 48 N -2.04 2.61 0.37 2.82 3.76 0.28 -1.20 115.29 121.89 2af2 s HIS 48 Ca 0.51 -0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 54.81 2af2 s HIS 48 Cb -0.10 -1.87 0.09 0.00 1.11 0.00 0.00 32.58 31.81 2af2 s HIS 48 CO 0.23 0.24 0.27 -0.85 -0.85 0.00 0.00 174.74 173.77 2af2 n GLU 49 N -1.19 -2.22 -0.00 1.40 0.28 -1.01 -1.88 120.64 116.01 2af2 n GLU 49 Ca -0.02 -0.44 -0.00 0.00 -0.16 0.00 0.00 57.16 56.54 2af2 n GLU 49 Cb 0.64 -0.48 -0.00 0.00 1.43 0.00 0.00 31.44 33.02 2af2 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2af2 n PHE 50 N -3.48 0.00 0.18 -1.84 -1.74 -1.26 -1.96 117.46 107.37 2af2 n PHE 50 Ca 0.04 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.06 2af2 n PHE 50 Cb 0.16 -0.03 0.68 0.00 1.52 0.00 0.00 39.48 41.81 2af2 n PHE 50 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2af2 h GLY 51 N 0.08 0.00 -3.91 4.97 0.00 -1.96 -3.39 103.07 98.85 2af2 h GLY 51 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 2af2 h GLY 51 CO -0.00 0.00 -0.82 -0.35 0.00 0.00 0.00 176.54 175.36 2af2 s ASP 52 N -6.69 2.74 -0.28 0.19 2.15 -1.26 -5.14 116.67 108.38 2af2 s ASP 52 Ca -0.05 -0.74 -0.00 0.00 0.43 0.00 0.00 52.55 52.19 2af2 s ASP 52 Cb 0.18 -0.16 0.14 0.00 -0.30 0.00 0.00 42.92 42.78 2af2 s ASP 52 CO 0.68 0.06 0.33 0.21 -0.17 0.00 0.00 175.17 176.28 2af2 s ASN 53 N -2.12 1.13 0.00 -0.34 3.84 -0.86 -4.62 114.94 111.96 2af2 s ASN 53 Ca 0.10 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 52.65 2af2 s ASN 53 Cb -0.09 0.74 0.00 0.00 -0.55 0.00 0.00 41.25 41.35 2af2 s ASN 53 CO 0.05 -0.37 0.00 0.35 -2.79 0.00 0.00 177.10 174.35 2af2 n THR 54 N 5.33 0.00 0.00 -5.21 -2.24 -0.73 -5.01 114.28 106.43 2af2 n THR 54 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2af2 n THR 54 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N -0.46 0.00 0.00 6.98 0.00 -1.26 -3.26 120.51 122.51 2af2 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 55 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2af2 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 56 N -0.90 0.67 0.00 0.00 0.00 -1.26 -4.14 105.19 99.56 2af2 n GLY 56 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.93 2af2 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2af2 h THR 58 N 0.00 0.70 -0.06 0.00 2.02 -1.84 -3.43 112.91 110.30 2af2 h THR 58 Ca 0.00 -1.98 -0.21 0.00 0.77 0.00 0.00 66.41 64.99 2af2 h THR 58 Cb 0.06 2.34 -0.17 0.00 -1.74 0.00 0.00 68.15 68.64 2af2 h THR 58 CO 0.00 0.40 -0.38 -1.20 0.37 0.00 0.00 175.52 174.71 2af2 n SER 59 N -3.20 -1.46 0.00 4.18 7.64 -0.48 -5.00 113.62 115.30 2af2 n SER 59 Ca 0.02 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2af2 n SER 59 Cb 0.69 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 n ALA 60 N -0.97 0.00 -1.78 -0.43 0.00 -1.08 -1.76 120.51 114.49 2af2 n ALA 60 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2af2 n ALA 60 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.29 2af2 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2af2 s GLY 61 N 0.00 2.62 -0.36 0.00 0.00 -1.26 -4.53 107.32 103.78 2af2 s GLY 61 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 44.72 45.19 2af2 s GLY 61 CO 0.00 1.11 2.03 2.56 0.00 0.00 0.00 173.10 178.80 2af2 s PRO 62 N -3.11 2.97 -1.05 2.90 0.04 -1.26 -2.40 135.00 133.09 2af2 s PRO 62 Ca 0.68 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 2af2 s PRO 62 Cb -0.22 -4.34 0.03 0.00 0.04 0.00 0.00 34.50 30.01 2af2 s PRO 62 CO 0.25 -2.29 0.39 -2.39 0.04 0.00 0.00 177.00 173.01 2af2 n HIS 63 N 11.96 -1.07 -0.59 0.56 -0.00 -0.34 -4.65 115.22 121.09 2af2 n HIS 63 Ca 0.27 0.16 -0.23 0.00 -0.00 0.00 0.00 57.72 57.92 2af2 n HIS 63 Cb 0.48 -2.22 -0.03 0.00 -0.00 0.00 0.00 29.99 28.22 2af2 n HIS 63 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2af2 n PHE 64 N -4.18 0.51 -2.15 -1.40 7.35 -1.26 -4.71 117.46 111.63 2af2 n PHE 64 Ca -0.14 0.40 -0.39 0.00 -0.76 0.00 0.00 57.45 56.55 2af2 n PHE 64 Cb 0.48 -0.77 -0.03 0.00 0.35 0.00 0.00 39.48 39.51 2af2 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2af2 s ASN 65 N 0.76 5.53 0.08 -2.13 0.01 -1.26 -4.76 114.94 113.17 2af2 s ASN 65 Ca 0.36 0.29 0.26 0.00 -0.71 0.00 0.00 52.86 53.05 2af2 s ASN 65 Cb -0.51 -2.54 0.72 0.00 0.41 0.00 0.00 41.25 39.34 2af2 s ASN 65 CO 0.26 -2.18 1.61 -0.81 -1.51 0.00 0.00 177.10 174.47 2af2 n PRO 66 N 9.10 0.14 0.00 -0.60 -0.04 -1.26 -3.74 135.00 138.60 2af2 n PRO 66 Ca 0.17 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2af2 n PRO 66 Cb 0.51 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2af2 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2af2 n LEU 67 N -1.85 0.02 -2.66 1.53 4.77 -1.26 -5.05 117.00 112.49 2af2 n LEU 67 Ca 0.05 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2af2 n LEU 67 Cb 0.39 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2af2 n LEU 67 CO 0.32 0.00 0.06 -0.24 -1.33 0.00 0.00 177.39 176.20 2af2 n SER 68 N -0.00 -3.10 -4.43 -1.43 2.88 -1.25 -5.05 113.62 101.24 2af2 n SER 68 Ca 0.00 -0.44 -0.30 0.00 -1.33 0.00 0.00 58.87 56.80 2af2 n SER 68 Cb 0.32 -3.66 -0.07 0.00 -0.75 0.00 0.00 64.21 60.05 2af2 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 69 N -4.59 2.12 1.02 -1.46 3.03 -1.26 -5.16 118.95 112.65 2af2 s ARG 69 Ca 0.11 -2.35 -0.15 0.00 2.03 0.00 0.00 55.73 55.37 2af2 s ARG 69 Cb -0.01 -1.07 0.20 0.00 -1.03 0.00 0.00 34.95 33.03 2af2 s ARG 69 CO 0.50 -0.46 1.15 0.15 -1.13 0.00 0.00 175.30 175.51 2af2 s LYS 70 N -3.79 0.25 0.69 3.89 -0.14 -1.26 -4.95 119.74 114.43 2af2 s LYS 70 Ca 0.11 0.10 -0.13 0.00 -1.36 0.00 0.00 55.97 54.69 2af2 s LYS 70 Cb 0.01 -1.75 0.01 0.00 -1.68 0.00 0.00 37.83 34.42 2af2 s LYS 70 CO 0.07 -2.76 1.08 -1.58 -0.76 0.00 0.00 175.35 171.40 2af2 s HIS 71 N -3.26 2.82 0.00 3.18 5.65 -0.26 -4.06 115.29 119.37 2af2 s HIS 71 Ca 0.68 1.51 0.00 0.00 0.25 0.00 0.00 55.06 57.50 2af2 s HIS 71 Cb -0.12 -3.02 0.00 0.00 -1.18 0.00 0.00 32.58 28.26 2af2 s HIS 71 CO 0.55 -1.47 0.00 0.41 -0.65 0.00 0.00 174.74 173.57 2af2 n GLY 72 N -1.22 0.41 0.00 1.59 0.00 -1.23 -3.96 105.19 100.78 2af2 n GLY 72 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2af2 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 73 N 0.00 1.71 0.00 -0.02 0.00 -0.56 -4.59 105.19 101.72 2af2 n GLY 73 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.44 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 74 N 0.00 0.18 0.00 1.61 -0.04 -1.26 -1.60 135.00 133.88 2af2 n PRO 74 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2af2 n PRO 74 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2af2 n LYS 75 N -1.11 0.00 -3.82 0.54 2.85 -1.26 -5.06 118.16 110.30 2af2 n LYS 75 Ca 0.05 -0.16 -0.27 0.00 -1.05 0.00 0.00 58.31 56.87 2af2 n LYS 75 Cb 0.04 -0.40 -0.17 0.00 -0.65 0.00 0.00 35.03 33.85 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2af2 s ASP 76 N 0.00 2.74 0.22 -5.58 2.15 -0.63 -4.80 116.67 110.77 2af2 s ASP 76 Ca 0.00 -0.67 0.23 0.00 0.43 0.00 0.00 52.55 52.54 2af2 s ASP 76 Cb 0.00 -0.75 0.93 0.00 -0.30 0.00 0.00 42.92 42.80 2af2 s ASP 76 CO 0.00 -0.23 1.69 -0.62 -0.17 0.00 0.00 175.17 175.84 2af2 n GLU 77 N 4.96 0.18 0.01 4.34 1.02 -1.26 -1.50 120.64 128.39 2af2 n GLU 77 Ca -0.10 0.38 -0.02 0.00 -0.02 0.00 0.00 57.16 57.40 2af2 n GLU 77 Cb 0.48 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 2af2 n GLU 77 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2af2 h GLU 78 N 0.00 -0.10 -2.60 3.49 4.39 -1.93 -3.49 114.58 114.33 2af2 h GLU 78 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2af2 h GLU 78 Cb 0.39 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2af2 h GLU 78 CO 0.00 -0.07 -0.46 -2.13 -1.16 0.00 0.00 179.01 175.19 2af2 n ARG 79 N -4.28 -2.72 -2.10 2.33 0.63 -1.24 -4.91 116.66 104.38 2af2 n ARG 79 Ca -0.01 2.17 -0.41 0.00 -0.92 0.00 0.00 57.85 58.68 2af2 n ARG 79 Cb 0.04 -2.07 -0.02 0.00 0.45 0.00 0.00 32.46 30.86 2af2 n ARG 79 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2af2 s HIS 80 N -0.30 3.09 0.55 -0.14 3.76 -1.26 -4.87 115.29 116.11 2af2 s HIS 80 Ca 0.00 1.21 0.28 0.00 -0.15 0.00 0.00 55.06 56.40 2af2 s HIS 80 Cb 0.00 -3.72 1.53 0.00 1.11 0.00 0.00 32.58 31.51 2af2 s HIS 80 CO 0.00 -2.18 1.85 0.28 -0.85 0.00 0.00 174.74 173.83 2af2 h VAL 81 N 3.41 0.00 -0.67 -0.90 2.07 -1.90 -2.34 116.25 115.91 2af2 h VAL 81 Ca -0.47 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 66.63 2af2 h VAL 81 Cb 1.22 0.63 -0.18 0.00 -1.52 0.00 0.00 31.29 31.44 2af2 h VAL 81 CO 0.73 0.00 0.53 0.61 0.02 0.00 0.00 177.57 179.46 2af2 n GLY 82 N -1.22 4.55 2.91 2.17 0.00 -1.26 -4.88 105.19 107.47 2af2 n GLY 82 Ca -0.02 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 2af2 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 83 N -0.28 0.42 -0.59 1.61 1.01 -0.88 -0.76 116.67 117.19 2af2 s ASP 83 Ca 0.42 0.41 0.02 0.00 0.71 0.00 0.00 52.55 54.11 2af2 s ASP 83 Cb 0.32 0.38 0.40 0.00 1.01 0.00 0.00 42.92 45.03 2af2 s ASP 83 CO -0.03 -0.22 1.49 0.18 0.21 0.00 0.00 175.17 176.80 2af2 n LEU 84 N 5.05 5.89 0.00 1.23 7.99 -0.80 -4.95 117.00 131.41 2af2 n LEU 84 Ca -0.10 -5.00 0.00 0.00 -0.01 0.00 0.00 56.01 50.89 2af2 n LEU 84 Cb 0.50 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 2af2 n LEU 84 CO 0.07 2.02 0.00 0.61 -1.51 0.00 0.00 177.39 178.58 2af2 n GLY 85 N -0.54 3.34 3.53 -0.72 0.00 -1.25 -4.61 105.19 104.94 2af2 n GLY 85 Ca 0.46 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2af2 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 86 N -4.00 4.41 -0.16 1.61 0.01 -1.26 -2.83 114.94 112.71 2af2 s ASN 86 Ca 0.00 -0.11 -0.17 0.00 -0.71 0.00 0.00 52.86 51.87 2af2 s ASN 86 Cb 0.00 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.49 2af2 s ASN 86 CO 0.00 0.33 0.44 0.54 -1.51 0.00 0.00 177.10 176.91 2af2 s VAL 87 N -0.64 5.19 -0.21 1.60 0.11 0.98 -4.85 120.40 122.58 2af2 s VAL 87 Ca 0.09 0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 59.97 2af2 s VAL 87 Cb -0.11 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 2af2 s VAL 87 CO 0.01 0.28 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.07 2af2 s THR 88 N 1.02 2.81 0.19 5.04 2.01 -1.26 0.35 115.64 125.80 2af2 s THR 88 Ca 0.23 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.55 2af2 s THR 88 Cb -0.15 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2af2 s THR 88 CO 0.09 0.44 0.23 0.00 -0.69 0.00 0.00 174.62 174.70 2af2 s ALA 89 N 1.39 3.76 0.88 7.40 0.00 -0.45 -4.43 121.76 130.32 2af2 s ALA 89 Ca 0.05 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 2af2 s ALA 89 Cb -0.14 -1.54 0.12 0.00 0.00 0.00 0.00 23.12 21.56 2af2 s ALA 89 CO -0.07 0.41 1.12 -0.51 0.00 0.00 0.00 175.76 176.71 2af2 s ASP 90 N -3.46 3.74 0.67 0.00 1.11 0.28 -1.43 116.67 117.57 2af2 s ASP 90 Ca 0.33 1.07 0.45 0.00 0.18 0.00 0.00 52.55 54.57 2af2 s ASP 90 Cb -0.10 -1.69 2.43 0.00 1.07 0.00 0.00 42.92 44.63 2af2 s ASP 90 CO 0.26 -2.42 2.37 0.07 1.18 0.00 0.00 175.17 176.64 2af2 h LYS 91 N -1.40 0.00 -0.00 8.23 5.09 -1.90 0.33 116.57 126.91 2af2 h LYS 91 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.24 2af2 h LYS 91 Cb 1.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.64 2af2 h LYS 91 CO 0.61 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.72 2af2 n ASP 92 N -3.09 0.14 0.00 7.07 8.00 -1.26 -4.82 116.55 122.59 2af2 n ASP 92 Ca -0.03 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2af2 n ASP 92 Cb 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2af2 n GLY 93 N 1.01 0.50 2.99 0.44 0.00 0.10 -4.84 105.19 105.40 2af2 n GLY 93 Ca 0.23 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 2af2 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s VAL 94 N -2.00 0.59 -0.24 1.61 0.11 -1.25 -0.53 120.40 118.70 2af2 s VAL 94 Ca 0.00 -0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 58.61 2af2 s VAL 94 Cb 0.00 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2af2 s VAL 94 CO 0.00 0.18 0.31 0.00 -3.33 0.00 0.00 175.10 172.25 2af2 s ALA 95 N -0.06 3.57 -0.29 1.54 0.00 0.01 -0.56 121.76 125.98 2af2 s ALA 95 Ca 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 2af2 s ALA 95 Cb -0.04 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2af2 s ALA 95 CO -0.00 -0.39 0.30 0.34 0.00 0.00 0.00 175.76 176.01 2af2 s ASP 96 N 1.27 6.15 -0.02 0.00 2.15 -1.26 -1.92 116.67 123.04 2af2 s ASP 96 Ca 0.14 0.04 0.07 0.00 0.43 0.00 0.00 52.55 53.23 2af2 s ASP 96 Cb -0.15 -2.17 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 2af2 s ASP 96 CO 0.08 -0.17 -0.23 -0.69 -0.17 0.00 0.00 175.17 173.98 2af2 s VAL 97 N 1.93 1.83 -0.24 1.11 1.01 -0.11 -5.02 120.40 120.91 2af2 s VAL 97 Ca 0.11 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 2af2 s VAL 97 Cb -0.16 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.79 2af2 s VAL 97 CO 0.11 0.51 0.53 -0.94 0.00 0.00 0.00 175.10 175.31 2af2 s SER 98 N -0.56 -0.68 -0.05 3.32 1.04 -1.26 -1.59 113.70 113.92 2af2 s SER 98 Ca 0.09 1.24 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 2af2 s SER 98 Cb -0.09 1.55 0.05 0.00 0.10 0.00 0.00 66.02 67.63 2af2 s SER 98 CO -0.01 -0.22 0.51 -0.63 0.98 0.00 0.00 173.24 173.87 2af2 s ILE 99 N 2.35 0.02 -0.11 -1.02 1.01 0.06 -5.00 121.20 118.51 2af2 s ILE 99 Ca -0.06 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2af2 s ILE 99 Cb -0.10 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.57 2af2 s ILE 99 CO -0.16 -0.11 -0.14 -0.70 0.00 0.00 0.00 174.94 173.83 2af2 s GLU 100 N -1.07 2.13 0.01 2.79 2.12 -1.26 0.03 118.70 123.44 2af2 s GLU 100 Ca -0.11 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 54.77 2af2 s GLU 100 Cb -0.03 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.51 2af2 s GLU 100 CO 0.07 -0.08 -0.24 0.34 -0.54 0.00 0.00 175.26 174.81 2af2 s ASP 101 N 1.03 2.84 -0.51 -1.70 -1.08 -0.97 -4.96 116.67 111.31 2af2 s ASP 101 Ca -0.06 -0.48 0.04 0.00 -0.52 0.00 0.00 52.55 51.52 2af2 s ASP 101 Cb -0.15 -0.29 0.41 0.00 -1.46 0.00 0.00 42.92 41.44 2af2 s ASP 101 CO -0.02 0.26 1.32 -1.54 0.52 0.00 0.00 175.17 175.72 2af2 n SER 102 N 2.22 5.36 0.00 -0.34 3.41 -1.26 -2.33 113.62 120.67 2af2 n SER 102 Ca -0.16 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 2af2 n SER 102 Cb 0.52 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2af2 n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2af2 n VAL 103 N -0.53 0.00 -4.21 -3.33 3.14 -1.26 -4.99 118.33 107.15 2af2 n VAL 103 Ca 0.43 -0.27 -0.12 0.00 -2.96 0.00 0.00 64.34 61.42 2af2 n VAL 103 Cb 0.61 1.24 -0.10 0.00 -1.06 0.00 0.00 33.84 34.53 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 2af2 s ILE 104 N -0.26 0.48 0.31 1.55 -0.00 -1.26 -4.95 121.20 117.07 2af2 s ILE 104 Ca 0.00 -1.96 -0.07 0.00 -0.00 0.00 0.00 60.65 58.63 2af2 s ILE 104 Cb 0.00 -2.11 0.00 0.00 -0.00 0.00 0.00 42.46 40.35 2af2 s ILE 104 CO 0.00 -0.46 0.48 -0.94 -0.00 0.00 0.00 174.94 174.02 2af2 s SER 105 N -3.14 0.49 -0.87 4.36 1.04 -1.26 -4.22 113.70 110.10 2af2 s SER 105 Ca 0.24 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 55.18 2af2 s SER 105 Cb 0.07 0.63 0.09 0.00 0.10 0.00 0.00 66.02 66.91 2af2 s SER 105 CO 0.03 -1.25 1.17 -0.76 0.98 0.00 0.00 173.24 173.42 2af2 s LEU 106 N -3.15 4.37 0.03 2.42 1.02 -1.23 -1.25 118.68 120.90 2af2 s LEU 106 Ca 0.27 -1.50 -0.18 0.00 0.02 0.00 0.00 54.13 52.74 2af2 s LEU 106 Cb -0.00 -2.46 0.03 0.00 0.02 0.00 0.00 46.19 43.78 2af2 s LEU 106 CO 0.16 -1.33 0.39 -0.55 0.02 0.00 0.00 176.35 175.04 2af2 s SER 107 N 3.97 -0.26 -0.40 2.29 0.15 -1.26 -4.12 113.70 114.07 2af2 s SER 107 Ca 0.33 0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.05 2af2 s SER 107 Cb -0.07 0.40 0.64 0.00 -1.71 0.00 0.00 66.02 65.28 2af2 s SER 107 CO -0.03 -0.62 1.80 0.61 1.20 0.00 0.00 173.24 176.20 2af2 n GLY 108 N 0.64 4.50 0.00 9.45 0.00 -1.26 -1.84 105.19 116.68 2af2 n GLY 108 Ca -0.19 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2af2 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 109 N -1.03 0.00 -0.14 1.61 5.68 -1.26 -4.90 116.55 116.51 2af2 n ASP 109 Ca 0.52 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.87 2af2 n ASP 109 Cb 1.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 41.43 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2af2 n HIS 110 N 0.00 0.00 0.00 2.11 8.25 -1.26 -5.03 115.22 119.29 2af2 n HIS 110 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2af2 n HIS 110 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2af2 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2af2 n SER 111 N -0.83 0.00 -2.49 0.41 2.88 -1.22 -4.96 113.62 107.42 2af2 n SER 111 Ca 0.04 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 2af2 n SER 111 Cb 0.25 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.75 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2af2 n ILE 112 N -0.15 3.46 -4.63 2.46 -5.35 -0.38 -4.69 119.36 110.08 2af2 n ILE 112 Ca 0.00 -3.21 -0.33 0.00 -0.27 0.00 0.00 62.75 58.94 2af2 n ILE 112 Cb 0.00 -1.28 -0.15 0.00 -1.74 0.00 0.00 39.64 36.47 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2af2 s ILE 113 N -4.17 2.77 0.00 7.28 -1.09 -0.76 -4.76 121.20 120.46 2af2 s ILE 113 Ca 0.55 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 2af2 s ILE 113 Cb 0.43 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.15 2af2 s ILE 113 CO -0.18 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 2af2 n GLY 114 N 3.88 1.30 3.83 6.18 0.00 0.05 -4.48 105.19 115.95 2af2 n GLY 114 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2af2 n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2af2 s ARG 115 N -0.17 3.89 0.29 1.61 1.70 -1.26 -4.24 118.95 120.77 2af2 s ARG 115 Ca 0.00 1.05 0.06 0.00 -0.47 0.00 0.00 55.73 56.37 2af2 s ARG 115 Cb 0.00 -2.12 -0.02 0.00 -0.57 0.00 0.00 34.95 32.23 2af2 s ARG 115 CO 0.00 -0.32 0.38 -0.08 -1.08 0.00 0.00 175.30 174.20 2af2 s THR 116 N -2.49 4.49 -0.02 4.99 -1.32 -0.79 -0.94 115.64 119.57 2af2 s THR 116 Ca 0.61 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.04 2af2 s THR 116 Cb -0.11 -3.55 -0.00 0.00 -1.51 0.00 0.00 72.50 67.32 2af2 s THR 116 CO 0.28 -0.24 -0.12 -0.22 -2.21 0.00 0.00 174.62 172.11 2af2 s LEU 117 N -4.05 1.93 -0.12 9.08 1.98 0.13 -0.56 118.68 127.07 2af2 s LEU 117 Ca 0.39 -0.23 0.02 0.00 -2.89 0.00 0.00 54.13 51.43 2af2 s LEU 117 Cb -0.09 -0.65 0.01 0.00 0.66 0.00 0.00 46.19 46.12 2af2 s LEU 117 CO 0.29 0.12 -0.19 0.54 -1.89 0.00 0.00 176.35 175.22 2af2 s VAL 118 N -0.09 1.82 0.11 1.68 0.11 0.15 -1.69 120.40 122.51 2af2 s VAL 118 Ca 0.01 -0.84 -0.16 0.00 -2.93 0.00 0.00 61.98 58.06 2af2 s VAL 118 Cb -0.07 -1.63 -0.07 0.00 -1.53 0.00 0.00 36.38 33.08 2af2 s VAL 118 CO 0.00 0.50 0.54 0.68 -3.33 0.00 0.00 175.10 173.50 2af2 s VAL 119 N 0.86 4.83 0.23 2.04 -7.23 0.12 -2.44 120.40 118.81 2af2 s VAL 119 Ca -0.07 0.95 0.07 0.00 -1.81 0.00 0.00 61.98 61.11 2af2 s VAL 119 Cb -0.15 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 2af2 s VAL 119 CO -0.01 0.36 0.15 -1.00 -0.31 0.00 0.00 175.10 174.29 2af2 s HIS 120 N -1.33 3.07 0.11 2.82 3.76 0.02 -1.15 115.29 122.59 2af2 s HIS 120 Ca 0.34 -0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 55.03 2af2 s HIS 120 Cb -0.16 -1.41 -0.11 0.00 1.11 0.00 0.00 32.58 32.01 2af2 s HIS 120 CO 0.19 0.53 1.38 1.49 -0.85 0.00 0.00 174.74 177.47 2af2 h GLU 121 N 1.83 0.81 -5.58 1.40 4.22 -1.11 -3.39 114.58 112.77 2af2 h GLU 121 Ca -0.48 -0.53 -0.63 0.00 0.08 0.00 0.00 59.36 57.80 2af2 h GLU 121 Cb 1.23 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.44 2af2 h GLU 121 CO 0.61 1.16 -0.49 0.15 -2.18 0.00 0.00 179.01 178.26 2af2 s LYS 122 N -4.07 2.16 0.50 1.92 3.01 -1.02 -4.90 119.74 117.34 2af2 s LYS 122 Ca -0.11 -2.15 -0.20 0.00 -1.01 0.00 0.00 55.97 52.50 2af2 s LYS 122 Cb 0.09 -1.76 -0.11 0.00 -1.01 0.00 0.00 37.83 35.05 2af2 s LYS 122 CO 0.88 -0.28 0.49 0.00 0.51 0.00 0.00 175.35 176.95 2af2 n ALA 123 N -1.28 -1.39 -2.60 5.17 0.00 -0.48 -2.14 120.51 117.78 2af2 n ALA 123 Ca -0.09 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 2af2 n ALA 123 Cb 0.66 -1.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 2af2 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2af2 s ASP 124 N -1.05 4.70 0.00 0.00 2.15 -1.26 -4.24 116.67 116.97 2af2 s ASP 124 Ca 0.65 -0.08 0.24 0.00 0.43 0.00 0.00 52.55 53.80 2af2 s ASP 124 Cb -0.51 -1.15 0.30 0.00 -0.30 0.00 0.00 42.92 41.26 2af2 s ASP 124 CO 0.57 0.32 1.27 -0.67 -0.17 0.00 0.00 175.17 176.48 2af2 n ASP 125 N 1.80 0.93 0.00 -0.34 2.03 -1.26 -4.92 116.55 114.80 2af2 n ASP 125 Ca -0.16 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.41 2af2 n ASP 125 Cb 0.53 0.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 2af2 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2af2 n LEU 126 N -1.14 0.00 -0.36 -2.67 7.99 -1.26 -3.72 117.00 115.84 2af2 n LEU 126 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.19 2af2 n LEU 126 Cb 0.35 0.00 0.15 0.00 -0.11 0.00 0.00 43.42 43.81 2af2 n LEU 126 CO 0.34 0.00 0.43 0.61 -1.51 0.00 0.00 177.39 177.27 2af2 n GLY 127 N 0.00 -0.31 0.00 -0.72 0.00 -1.25 -3.53 105.19 99.37 2af2 n GLY 127 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2af2 n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2af2 n LYS 128 N -0.38 0.00 0.00 1.61 4.81 -1.07 -4.77 118.16 118.36 2af2 n LYS 128 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2af2 n LYS 128 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2af2 n GLY 129 N 0.00 1.16 0.00 3.14 0.00 -1.26 -4.30 105.19 103.93 2af2 n GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 130 N 0.00 1.62 3.85 -0.02 0.00 -1.26 -5.04 105.19 104.34 2af2 n GLY 130 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2af2 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 131 N -1.33 4.65 0.10 1.61 0.01 -1.26 -4.98 114.94 113.74 2af2 s ASN 131 Ca 0.00 -1.11 -0.35 0.00 -0.71 0.00 0.00 52.86 50.69 2af2 s ASN 131 Cb 0.00 -0.01 -0.15 0.00 0.41 0.00 0.00 41.25 41.50 2af2 s ASN 131 CO 0.00 -0.86 1.56 -0.08 -1.51 0.00 0.00 177.10 176.21 2af2 h GLU 132 N 1.00 -0.78 -1.14 -0.60 4.57 -2.01 -1.34 114.58 114.29 2af2 h GLU 132 Ca -0.40 0.05 0.33 0.00 -1.18 0.00 0.00 59.36 58.16 2af2 h GLU 132 Cb 1.28 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.95 2af2 h GLU 132 CO 0.61 -0.52 0.74 0.93 -1.18 0.00 0.00 179.01 179.59 2af2 h GLU 133 N -0.81 0.26 0.00 1.92 4.39 -1.97 -1.69 114.58 116.68 2af2 h GLU 133 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2af2 h GLU 133 Cb 0.78 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2af2 h GLU 133 CO -0.23 0.17 0.00 -1.13 -1.16 0.00 0.00 179.01 176.66 2af2 n SER 134 N -4.64 0.00 -0.00 1.42 3.41 -0.50 -0.42 113.62 112.89 2af2 n SER 134 Ca 0.29 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2af2 n SER 134 Cb 1.08 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2af2 n SER 134 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2af2 n THR 135 N -1.19 0.00 -0.02 6.66 -2.24 -0.64 -2.60 114.28 114.26 2af2 n THR 135 Ca 0.06 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 2af2 n THR 135 Cb 0.06 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 2af2 n THR 135 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2af2 n LYS 136 N -1.15 1.85 0.00 -0.78 2.85 -0.88 -1.10 118.16 118.95 2af2 n LYS 136 Ca 0.00 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2af2 n LYS 136 Cb 0.00 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2af2 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2af2 n THR 137 N -2.06 0.00 0.00 0.58 -2.24 0.44 -4.57 114.28 106.43 2af2 n THR 137 Ca -0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2af2 n THR 137 Cb 0.52 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2af2 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2af2 n GLY 138 N 1.32 3.28 2.32 3.38 0.00 0.23 -4.57 105.19 111.15 2af2 n GLY 138 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2af2 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2af2 n ASN 139 N 0.04 -3.63 -2.18 1.61 4.05 -1.23 -3.99 115.26 109.94 2af2 n ASN 139 Ca 0.00 -0.16 -0.01 0.00 0.45 0.00 0.00 54.58 54.87 2af2 n ASN 139 Cb 0.00 -2.43 -0.01 0.00 1.23 0.00 0.00 39.78 38.57 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 n ALA 140 N -2.86 1.71 0.00 5.20 0.00 -1.26 -4.71 120.51 118.59 2af2 n ALA 140 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2af2 n ALA 140 Cb 0.54 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2af2 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 141 N 2.41 1.13 3.75 0.00 0.00 -1.26 -2.44 105.19 108.78 2af2 n GLY 141 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2af2 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2af2 s SER 142 N 0.00 -0.13 0.30 1.61 0.15 -1.26 -4.93 113.70 109.43 2af2 s SER 142 Ca 0.00 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.08 2af2 s SER 142 Cb 0.00 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 2af2 s SER 142 CO 0.00 -0.82 0.76 -0.13 1.20 0.00 0.00 173.24 174.24 2af2 s ARG 143 N -3.01 4.11 0.00 5.44 3.00 -1.26 -0.87 118.95 126.36 2af2 s ARG 143 Ca 0.14 0.79 0.00 0.00 0.00 0.00 0.00 55.73 56.65 2af2 s ARG 143 Cb -0.01 -2.54 0.00 0.00 0.00 0.00 0.00 34.95 32.40 2af2 s ARG 143 CO 0.02 0.21 0.00 -0.11 0.00 0.00 0.00 175.30 175.42 2af2 n LEU 144 N -0.06 0.00 -4.73 2.53 0.00 -0.30 -4.40 117.00 110.04 2af2 n LEU 144 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.70 2af2 n LEU 144 Cb 0.53 0.00 0.10 0.00 0.00 0.00 0.00 43.42 44.04 2af2 n LEU 144 CO 0.42 0.00 0.77 0.00 0.00 0.00 0.00 177.39 178.57 2af2 s ALA 145 N -2.00 2.10 0.03 1.96 0.00 -1.24 -4.71 121.76 117.90 2af2 s ALA 145 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 2af2 s ALA 145 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2af2 s ALA 145 CO 0.00 -1.89 0.38 0.00 0.00 0.00 0.00 175.76 174.25 2af2 s GLY 147 N -1.87 -0.60 -0.04 0.00 0.00 -0.68 -0.85 107.32 103.29 2af2 s GLY 147 Ca -0.07 0.58 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 2af2 s GLY 147 CO -0.01 0.20 0.02 0.14 0.00 0.00 0.00 173.10 173.45 2af2 s VAL 148 N -3.63 4.39 -0.89 1.40 1.01 -1.26 -0.70 120.40 120.73 2af2 s VAL 148 Ca 0.01 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 2af2 s VAL 148 Cb -0.01 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2af2 s VAL 148 CO -0.12 0.47 1.52 -0.63 0.00 0.00 0.00 175.10 176.33 2af2 s ILE 149 N -1.03 3.74 0.66 2.22 -1.09 -0.12 -4.66 121.20 120.92 2af2 s ILE 149 Ca 0.18 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2af2 s ILE 149 Cb -0.12 -4.75 0.09 0.00 -1.58 0.00 0.00 42.46 36.10 2af2 s ILE 149 CO 0.08 -1.67 0.92 -0.83 -1.23 0.00 0.00 174.94 172.21 2af2 s GLY 150 N 5.39 1.78 0.07 6.18 0.00 -0.88 -0.77 107.32 119.09 2af2 s GLY 150 Ca 0.49 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.65 2af2 s GLY 150 CO 0.01 -1.11 0.09 -0.26 0.00 0.00 0.00 173.10 171.83 2af2 s ILE 151 N -3.01 4.60 0.00 0.90 -5.25 -1.26 -1.70 121.20 115.48 2af2 s ILE 151 Ca 0.63 -0.72 0.00 0.00 -0.99 0.00 0.00 60.65 59.57 2af2 s ILE 151 Cb -0.07 -3.21 0.00 0.00 2.95 0.00 0.00 42.46 42.13 2af2 s ILE 151 CO 0.42 0.14 0.00 0.00 -1.79 0.00 0.00 174.94 173.72 2af2 n ALA 152 N 0.51 1.20 -0.37 2.27 0.00 -1.23 -4.89 120.51 118.00 2af2 n ALA 152 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2af2 n ALA 152 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44