#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 s THR 2 N 0.00 3.94 -0.13 0.00 -4.23 -0.54 -4.74 115.64 109.95 2af2 s THR 2 Ca 0.00 0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 61.43 2af2 s THR 2 Cb 0.00 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2af2 s THR 2 CO 0.00 -0.81 0.03 -1.59 -0.54 0.00 0.00 174.62 171.72 2af2 s LYS 3 N 4.88 3.42 0.52 3.99 -2.85 -0.42 -1.34 119.74 127.94 2af2 s LYS 3 Ca 0.59 -0.36 -0.05 0.00 -1.00 0.00 0.00 55.97 55.15 2af2 s LYS 3 Cb -0.13 -2.99 -0.02 0.00 -2.06 0.00 0.00 37.83 32.64 2af2 s LYS 3 CO 0.33 0.54 0.82 0.00 0.10 0.00 0.00 175.35 177.13 2af2 s ALA 4 N -0.39 3.38 -0.00 0.59 0.00 -0.28 -0.94 121.76 124.11 2af2 s ALA 4 Ca 0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 2af2 s ALA 4 Cb -0.12 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2af2 s ALA 4 CO 0.02 -0.51 0.15 0.08 0.00 0.00 0.00 175.76 175.51 2af2 s VAL 5 N -2.82 0.07 -0.24 0.00 1.01 0.11 -0.39 120.40 118.13 2af2 s VAL 5 Ca 0.50 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2af2 s VAL 5 Cb -0.10 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 35.91 2af2 s VAL 5 CO 0.45 -0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.16 2af2 s ALA 6 N -1.26 2.04 -0.42 5.51 0.00 -0.56 -1.64 121.76 125.43 2af2 s ALA 6 Ca -0.13 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.10 2af2 s ALA 6 Cb -0.07 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2af2 s ALA 6 CO 0.02 -1.23 1.01 0.14 0.00 0.00 0.00 175.76 175.69 2af2 s VAL 7 N 1.36 4.43 -0.75 0.00 -7.23 -1.26 -1.29 120.40 115.65 2af2 s VAL 7 Ca -0.05 1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 61.00 2af2 s VAL 7 Cb -0.19 -4.46 0.03 0.00 0.56 0.00 0.00 36.38 32.32 2af2 s VAL 7 CO -0.07 -0.76 1.33 -0.76 -0.31 0.00 0.00 175.10 174.53 2af2 s LEU 8 N 3.88 3.19 -0.24 1.32 2.01 0.29 -3.80 118.68 125.33 2af2 s LEU 8 Ca 0.42 -0.47 -0.12 0.00 0.01 0.00 0.00 54.13 53.97 2af2 s LEU 8 Cb -0.10 -2.56 0.08 0.00 0.01 0.00 0.00 46.19 43.62 2af2 s LEU 8 CO 0.24 -1.86 0.55 -0.75 1.01 0.00 0.00 176.35 175.55 2af2 s LYS 9 N 5.78 0.53 0.00 1.70 2.20 0.39 -0.76 119.74 129.58 2af2 s LYS 9 Ca 0.38 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 2af2 s LYS 9 Cb -0.08 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2af2 s LYS 9 CO 0.14 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2af2 n GLY 10 N 4.61 0.93 3.48 5.54 0.00 -1.26 -4.31 105.19 114.19 2af2 n GLY 10 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2af2 n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 11 N -1.00 -0.76 0.00 1.61 1.01 -1.26 -5.04 116.67 111.23 2af2 s ASP 11 Ca 0.00 1.25 0.00 0.00 0.71 0.00 0.00 52.55 54.51 2af2 s ASP 11 Cb 0.00 1.15 0.00 0.00 1.01 0.00 0.00 42.92 45.08 2af2 s ASP 11 CO 0.00 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.77 2af2 n GLY 12 N 4.34 2.79 0.66 0.21 0.00 -1.26 -4.93 105.19 107.00 2af2 n GLY 12 Ca -0.21 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.21 0.52 -4.00 1.61 -0.04 -1.26 -4.57 135.00 126.06 2af2 n PRO 13 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2af2 n PRO 13 Cb 0.00 -1.25 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.52 2.58 0.11 0.52 1.01 -1.26 -4.27 120.40 118.57 2af2 s VAL 14 Ca 0.00 -1.37 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 2af2 s VAL 14 Cb 0.00 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 34.01 2af2 s VAL 14 CO 0.00 0.04 0.53 0.00 0.00 0.00 0.00 175.10 175.66 2af2 s GLN 15 N 1.21 1.15 0.35 2.72 0.00 -0.72 -4.41 119.66 119.97 2af2 s GLN 15 Ca -0.05 -0.45 -0.17 0.00 -0.00 0.00 0.00 55.36 54.70 2af2 s GLN 15 Cb -0.19 0.52 0.06 0.00 0.00 0.00 0.00 33.01 33.41 2af2 s GLN 15 CO -0.04 -0.46 0.84 0.20 0.00 0.00 0.00 175.29 175.83 2af2 s GLY 16 N -2.50 0.33 0.01 2.60 0.00 0.06 -0.56 107.32 107.26 2af2 s GLY 16 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2af2 s GLY 16 CO -0.09 0.26 -0.08 -0.26 0.00 0.00 0.00 173.10 172.93 2af2 s ILE 17 N -2.22 0.64 -0.19 0.90 -5.25 -0.65 -0.55 121.20 113.89 2af2 s ILE 17 Ca 0.17 -0.50 -0.02 0.00 -0.99 0.00 0.00 60.65 59.31 2af2 s ILE 17 Cb -0.05 -0.57 0.06 0.00 2.95 0.00 0.00 42.46 44.85 2af2 s ILE 17 CO 0.10 0.07 0.02 -0.63 -1.79 0.00 0.00 174.94 172.71 2af2 s ILE 18 N -0.42 0.67 0.47 8.37 -1.09 -0.41 -1.01 121.20 127.77 2af2 s ILE 18 Ca 0.01 -0.58 -0.20 0.00 -2.23 0.00 0.00 60.65 57.64 2af2 s ILE 18 Cb -0.04 -1.10 -0.09 0.00 -1.58 0.00 0.00 42.46 39.64 2af2 s ILE 18 CO -0.00 -0.13 0.99 0.20 -1.23 0.00 0.00 174.94 174.77 2af2 s ASN 19 N 1.80 6.62 -0.47 3.58 0.02 0.70 -1.49 114.94 125.70 2af2 s ASN 19 Ca -0.01 1.79 0.05 0.00 -1.02 0.00 0.00 52.86 53.66 2af2 s ASN 19 Cb -0.17 -2.55 0.18 0.00 0.02 0.00 0.00 41.25 38.74 2af2 s ASN 19 CO -0.07 -0.58 0.41 0.49 0.02 0.00 0.00 177.10 177.36 2af2 n PHE 20 N -0.89 0.10 -2.73 2.20 3.01 0.47 -2.30 117.46 117.32 2af2 n PHE 20 Ca 0.08 -3.56 -0.43 0.00 1.01 0.00 0.00 57.45 54.56 2af2 n PHE 20 Cb 0.53 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 2af2 n PHE 20 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2af2 s GLU 21 N -0.47 4.10 0.38 -1.08 2.12 0.30 -1.13 118.70 122.91 2af2 s GLU 21 Ca 0.32 1.03 0.08 0.00 0.36 0.00 0.00 54.97 56.75 2af2 s GLU 21 Cb 0.04 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 2af2 s GLU 21 CO -0.18 -0.77 0.37 -1.14 -0.54 0.00 0.00 175.26 173.00 2af2 s GLN 22 N 3.35 2.67 0.00 4.30 2.00 -0.45 -0.99 119.66 130.53 2af2 s GLN 22 Ca 0.42 -1.38 0.00 0.00 -2.00 0.00 0.00 55.36 52.40 2af2 s GLN 22 Cb -0.13 -2.48 0.00 0.00 0.80 0.00 0.00 33.01 31.20 2af2 s GLN 22 CO 0.12 -0.07 0.00 0.36 -0.50 0.00 0.00 175.29 175.20 2af2 n LYS 23 N -1.51 1.89 0.00 1.67 0.00 -1.26 -0.17 118.16 118.77 2af2 n LYS 23 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2af2 n LYS 23 Cb 0.60 -0.68 0.00 0.00 -0.00 0.00 0.00 35.03 34.96 2af2 n LYS 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2af2 n GLU 24 N -0.94 0.64 0.00 -1.58 4.71 -1.26 -4.87 120.64 117.34 2af2 n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2af2 n GLU 24 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.57 2af2 n GLU 24 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2af2 n SER 25 N 0.00 0.00 -3.88 1.62 2.88 -1.26 -4.94 113.62 108.04 2af2 n SER 25 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 2af2 n SER 25 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2af2 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2af2 n ASN 26 N -0.80 3.53 -0.95 -3.46 3.02 -1.26 -2.82 115.26 112.53 2af2 n ASN 26 Ca 0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 2af2 n ASN 26 Cb 0.00 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2af2 n GLY 27 N 4.54 3.12 3.77 7.41 0.00 -1.26 -5.06 105.19 117.72 2af2 n GLY 27 Ca 0.50 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 2af2 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2af2 s PRO 28 N -1.84 2.49 -0.03 1.61 0.04 -1.26 -4.05 135.00 131.97 2af2 s PRO 28 Ca 0.00 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.29 2af2 s PRO 28 Cb 0.00 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2af2 s PRO 28 CO 0.00 -1.47 -0.13 0.08 0.04 0.00 0.00 177.00 175.52 2af2 s VAL 29 N -2.74 1.10 -0.25 -0.36 1.01 -0.94 -4.71 120.40 113.51 2af2 s VAL 29 Ca 0.63 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 2af2 s VAL 29 Cb -0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2af2 s VAL 29 CO 0.51 0.33 0.74 -0.54 0.00 0.00 0.00 175.10 176.14 2af2 s LYS 30 N 0.06 4.13 -0.22 2.72 1.02 -0.16 -2.76 119.74 124.52 2af2 s LYS 30 Ca -0.02 0.75 -0.08 0.00 0.02 0.00 0.00 55.97 56.63 2af2 s LYS 30 Cb -0.09 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 2af2 s LYS 30 CO 0.01 -0.49 0.10 0.08 -0.92 0.00 0.00 175.35 174.13 2af2 s VAL 31 N 2.71 4.85 0.17 3.17 1.01 0.17 -0.54 120.40 131.95 2af2 s VAL 31 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 2af2 s VAL 31 Cb -0.15 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2af2 s VAL 31 CO 0.08 0.38 0.53 -1.66 0.00 0.00 0.00 175.10 174.44 2af2 s TRP 32 N 0.98 -0.32 0.00 5.22 -2.14 -0.97 -0.39 118.94 121.32 2af2 s TRP 32 Ca 0.05 0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.84 2af2 s TRP 32 Cb -0.14 0.44 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 2af2 s TRP 32 CO 0.03 -0.85 0.00 0.41 -2.66 0.00 0.00 176.95 173.88 2af2 n GLY 33 N -0.33 2.53 3.07 3.67 0.00 -1.04 -0.21 105.19 112.87 2af2 n GLY 33 Ca -0.14 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 1.25 -0.15 1.61 1.04 -0.18 -1.06 113.70 116.22 2af2 s SER 34 Ca 0.00 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.12 2af2 s SER 34 Cb 0.00 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 2af2 s SER 34 CO 0.00 0.04 -0.16 -0.63 0.98 0.00 0.00 173.24 173.47 2af2 s ILE 35 N -0.59 2.60 0.05 -1.02 -1.09 0.17 -1.63 121.20 119.68 2af2 s ILE 35 Ca 0.01 -0.80 0.06 0.00 -2.23 0.00 0.00 60.65 57.69 2af2 s ILE 35 Cb -0.06 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.71 2af2 s ILE 35 CO 0.00 0.52 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.32 2af2 s LYS 36 N 0.71 1.09 0.00 2.79 2.20 0.27 -0.68 119.74 126.14 2af2 s LYS 36 Ca -0.07 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 2af2 s LYS 36 Cb -0.16 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 2af2 s LYS 36 CO 0.01 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 2af2 n GLY 37 N 1.75 1.76 3.71 5.54 0.00 -0.71 -1.75 105.19 115.49 2af2 n GLY 37 Ca -0.18 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2af2 n GLY 37 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2af2 s LEU 38 N 0.00 4.37 1.01 0.99 2.34 -1.26 -4.93 118.68 121.20 2af2 s LEU 38 Ca 0.00 2.46 -0.12 0.00 0.06 0.00 0.00 54.13 56.52 2af2 s LEU 38 Cb 0.00 -3.58 0.20 0.00 -0.56 0.00 0.00 46.19 42.24 2af2 s LEU 38 CO 0.00 -0.76 1.09 0.28 -1.06 0.00 0.00 176.35 175.90 2af2 s THR 39 N 1.40 2.06 0.90 5.48 -1.32 -1.26 -4.34 115.64 118.56 2af2 s THR 39 Ca 0.68 0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 61.05 2af2 s THR 39 Cb -0.40 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.15 2af2 s THR 39 CO 0.31 -0.02 0.60 -1.84 -2.21 0.00 0.00 174.62 171.45 2af2 n GLU 40 N -4.23 -0.20 0.00 7.08 0.28 -1.26 -4.66 120.64 117.65 2af2 n GLU 40 Ca 0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2af2 n GLU 40 Cb 0.57 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.46 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2af2 n GLY 41 N 1.26 0.16 3.76 -1.84 0.00 -0.66 -4.81 105.19 103.05 2af2 n GLY 41 Ca 0.09 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.42 4.38 -0.04 0.99 1.43 -1.26 -0.92 118.68 122.83 2af2 s LEU 42 Ca 0.00 2.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.91 2af2 s LEU 42 Cb 0.00 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.60 2af2 s LEU 42 CO 0.00 -0.73 -0.06 -1.00 0.23 0.00 0.00 176.35 174.79 2af2 s HIS 43 N -0.50 0.83 0.61 0.29 3.76 -0.41 -2.14 115.29 117.73 2af2 s HIS 43 Ca 0.56 -0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 55.10 2af2 s HIS 43 Cb -0.43 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 2af2 s HIS 43 CO 0.50 -0.17 1.03 0.20 -0.85 0.00 0.00 174.74 175.46 2af2 s GLY 44 N 0.67 1.88 -0.18 -2.22 0.00 0.18 -0.06 107.32 107.60 2af2 s GLY 44 Ca -0.10 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.56 2af2 s GLY 44 CO 0.01 0.43 0.55 -0.11 0.00 0.00 0.00 173.10 173.98 2af2 s PHE 45 N -2.83 -0.58 0.23 1.90 -0.71 -1.20 -0.46 117.98 114.33 2af2 s PHE 45 Ca 0.59 1.35 -0.14 0.00 -1.04 0.00 0.00 56.93 57.69 2af2 s PHE 45 Cb -0.13 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.91 2af2 s PHE 45 CO 0.44 -0.34 0.48 -3.38 -1.34 0.00 0.00 175.22 171.08 2af2 s HIS 46 N -0.00 0.23 -0.13 3.49 -3.43 -0.87 -3.68 115.29 110.90 2af2 s HIS 46 Ca -0.02 -0.59 -0.05 0.00 -0.80 0.00 0.00 55.06 53.59 2af2 s HIS 46 Cb -0.04 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 2af2 s HIS 46 CO 0.02 -0.96 0.05 0.08 -2.00 0.00 0.00 174.74 171.94 2af2 s VAL 47 N -3.97 4.74 0.18 -5.38 1.01 0.12 -0.73 120.40 116.36 2af2 s VAL 47 Ca 0.18 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2af2 s VAL 47 Cb -0.01 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 2af2 s VAL 47 CO 0.05 0.55 1.24 -1.00 0.00 0.00 0.00 175.10 175.94 2af2 s HIS 48 N -0.37 3.37 0.00 5.22 3.76 0.74 -3.99 115.29 124.02 2af2 s HIS 48 Ca 0.09 1.34 -0.04 0.00 -0.15 0.00 0.00 55.06 56.29 2af2 s HIS 48 Cb -0.12 -3.49 -0.17 0.00 1.11 0.00 0.00 32.58 29.91 2af2 s HIS 48 CO 0.02 -1.46 2.75 -1.91 -0.85 0.00 0.00 174.74 173.28 2af2 n GLU 49 N 2.69 1.46 0.00 1.40 4.07 -1.26 -3.41 120.64 125.59 2af2 n GLU 49 Ca 0.05 -0.64 0.00 0.00 -0.06 0.00 0.00 57.16 56.52 2af2 n GLU 49 Cb 0.44 -1.73 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 2af2 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2af2 n PHE 50 N 2.37 0.00 0.18 4.31 3.01 -1.26 -4.76 117.46 121.30 2af2 n PHE 50 Ca 0.27 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.76 2af2 n PHE 50 Cb 0.68 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.17 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2af2 n GLY 51 N -0.31 -0.85 1.95 1.37 0.00 -0.94 -3.02 105.19 103.40 2af2 n GLY 51 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2af2 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 52 N 0.24 2.04 -0.44 1.61 5.75 -1.26 -3.94 116.55 120.54 2af2 n ASP 52 Ca 0.03 -1.64 -0.01 0.00 -0.01 0.00 0.00 54.79 53.16 2af2 n ASP 52 Cb 0.12 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.74 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2af2 n ASN 53 N 2.09 -0.15 -1.83 -1.12 0.23 -1.26 -4.98 115.26 108.25 2af2 n ASN 53 Ca 0.05 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.28 2af2 n ASN 53 Cb 0.24 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 2af2 n ASN 53 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2af2 n THR 54 N 0.00 0.00 0.00 5.53 5.66 -1.25 -0.87 114.28 123.35 2af2 n THR 54 Ca -0.04 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2af2 n THR 54 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2af2 n ALA 55 N 1.81 0.00 -0.61 1.79 0.00 -1.26 -5.04 120.51 117.20 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 2.60 0.03 0.00 0.00 -0.05 -3.07 105.19 104.70 2af2 n GLY 56 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.76 2af2 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2af2 n THR 58 N -1.58 2.54 0.00 0.00 5.66 -1.18 -4.61 114.28 115.12 2af2 n THR 58 Ca -0.00 -1.98 0.00 0.00 -3.05 0.00 0.00 64.05 59.02 2af2 n THR 58 Cb 0.07 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 2af2 n THR 58 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2af2 n SER 59 N -0.50 0.00 -3.74 1.09 7.64 0.57 -4.97 113.62 113.70 2af2 n SER 59 Ca 0.29 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.08 2af2 n SER 59 Cb 1.07 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.23 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 s ALA 60 N -0.03 -0.77 0.81 -0.43 0.00 0.32 -4.93 121.76 116.73 2af2 s ALA 60 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 2af2 s ALA 60 Cb 0.00 0.79 0.08 0.00 0.00 0.00 0.00 23.12 23.98 2af2 s ALA 60 CO 0.00 -0.71 1.10 0.20 0.00 0.00 0.00 175.76 176.34 2af2 s GLY 61 N -2.86 1.67 1.07 0.00 0.00 -1.26 -3.75 107.32 102.17 2af2 s GLY 61 Ca 0.08 0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.90 2af2 s GLY 61 CO -0.06 0.62 1.10 2.56 0.00 0.00 0.00 173.10 177.32 2af2 s PRO 62 N -4.88 -0.12 0.00 2.90 0.04 -1.26 -4.71 135.00 126.97 2af2 s PRO 62 Ca 0.62 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2af2 s PRO 62 Cb -0.18 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2af2 s PRO 62 CO 0.56 -3.05 0.00 -2.39 0.04 0.00 0.00 177.00 172.16 2af2 n HIS 63 N -4.36 0.00 -1.92 0.56 1.44 -1.26 -4.64 115.22 105.04 2af2 n HIS 63 Ca 0.08 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.43 2af2 n HIS 63 Cb 0.58 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.66 2af2 n HIS 63 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2af2 s PHE 64 N 0.00 1.53 -0.62 -1.40 0.08 -1.26 -4.86 117.98 111.45 2af2 s PHE 64 Ca 0.00 0.98 -0.27 0.00 0.12 0.00 0.00 56.93 57.76 2af2 s PHE 64 Cb 0.00 -3.95 0.01 0.00 -0.57 0.00 0.00 43.02 38.51 2af2 s PHE 64 CO 0.00 -2.26 1.49 0.54 -0.10 0.00 0.00 175.22 174.89 2af2 s ASN 65 N 9.07 5.92 0.22 1.36 4.22 -1.26 -4.76 114.94 129.72 2af2 s ASN 65 Ca 0.75 0.10 0.03 0.00 -2.14 0.00 0.00 52.86 51.60 2af2 s ASN 65 Cb -0.13 -2.55 0.21 0.00 1.28 0.00 0.00 41.25 40.07 2af2 s ASN 65 CO 0.19 -1.91 1.54 1.55 -2.04 0.00 0.00 177.10 176.42 2af2 h PRO 66 N 11.75 0.28 0.00 3.55 0.13 -1.97 -1.75 132.00 143.99 2af2 h PRO 66 Ca -0.27 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2af2 h PRO 66 Cb 1.10 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2af2 h PRO 66 CO 1.21 0.81 0.00 1.28 -0.23 0.00 0.00 178.00 181.08 2af2 n LEU 67 N -3.87 0.00 -3.60 1.56 4.32 -1.26 -4.95 117.00 109.20 2af2 n LEU 67 Ca -0.03 0.21 -0.20 0.00 -0.02 0.00 0.00 56.01 55.98 2af2 n LEU 67 Cb 0.63 -0.21 0.06 0.00 -1.62 0.00 0.00 43.42 42.27 2af2 n LEU 67 CO 0.45 -0.01 0.02 -0.24 -1.22 0.00 0.00 177.39 176.39 2af2 n SER 68 N -1.21 -1.88 -4.96 -1.43 2.88 -0.66 -5.01 113.62 101.35 2af2 n SER 68 Ca 0.16 -0.73 -0.21 0.00 -1.33 0.00 0.00 58.87 56.76 2af2 n SER 68 Cb 0.20 -4.50 0.01 0.00 -0.75 0.00 0.00 64.21 59.17 2af2 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2af2 s ARG 69 N -5.78 2.47 0.81 -1.46 0.52 -1.26 -5.13 118.95 109.12 2af2 s ARG 69 Ca 0.06 -1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 53.55 2af2 s ARG 69 Cb -0.03 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.02 2af2 s ARG 69 CO 0.78 -0.51 1.10 -1.59 0.02 0.00 0.00 175.30 175.09 2af2 s LYS 70 N -4.38 2.00 0.78 3.54 -2.85 -1.26 -4.93 119.74 112.64 2af2 s LYS 70 Ca 0.51 0.68 -0.12 0.00 -1.00 0.00 0.00 55.97 56.05 2af2 s LYS 70 Cb -0.05 -1.91 0.06 0.00 -2.06 0.00 0.00 37.83 33.88 2af2 s LYS 70 CO 0.31 -1.69 1.16 -1.58 0.10 0.00 0.00 175.35 173.65 2af2 s HIS 71 N -3.12 3.03 -2.88 1.78 5.65 -0.75 -3.89 115.29 115.12 2af2 s HIS 71 Ca 0.61 0.81 0.00 0.00 0.25 0.00 0.00 55.06 56.73 2af2 s HIS 71 Cb -0.15 -3.40 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 2af2 s HIS 71 CO 0.55 -1.64 0.00 0.41 -0.65 0.00 0.00 174.74 173.41 2af2 n GLY 72 N -3.24 0.66 0.00 1.59 0.00 -1.26 -3.62 105.19 99.33 2af2 n GLY 72 Ca 0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 0.14 0.00 -0.02 0.00 -1.26 -4.40 105.19 99.65 2af2 n GLY 73 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 3.48 0.00 1.61 -0.04 -1.26 -4.69 135.00 134.10 2af2 n PRO 74 Ca 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2af2 n PRO 74 Cb 0.00 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.32 1.17 -3.74 0.54 -0.00 -1.26 -5.08 118.16 108.47 2af2 n LYS 75 Ca 0.01 -0.22 -0.24 0.00 -0.00 0.00 0.00 58.31 57.86 2af2 n LYS 75 Cb 0.14 -0.66 -0.02 0.00 -0.00 0.00 0.00 35.03 34.49 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2af2 s ASP 76 N -0.23 4.78 0.00 -5.58 2.15 -1.26 -5.03 116.67 111.50 2af2 s ASP 76 Ca 0.00 -1.04 0.03 0.00 0.43 0.00 0.00 52.55 51.97 2af2 s ASP 76 Cb 0.00 0.01 -0.03 0.00 -0.30 0.00 0.00 42.92 42.60 2af2 s ASP 76 CO 0.00 -0.93 0.16 -0.62 -0.17 0.00 0.00 175.17 173.61 2af2 n GLU 77 N -1.68 5.67 0.06 4.34 4.71 -1.26 -4.67 120.64 127.81 2af2 n GLU 77 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2af2 n GLU 77 Cb 0.63 -0.67 0.00 0.00 -1.01 0.00 0.00 31.44 30.39 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2af2 n GLU 78 N -1.03 0.00 -1.76 3.49 -0.58 -1.26 -5.12 120.64 114.37 2af2 n GLU 78 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2af2 n GLU 78 Cb 0.05 -0.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 2af2 n GLU 78 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2af2 n ARG 79 N -3.45 -1.83 -0.58 3.49 1.85 -1.25 -4.99 116.66 109.89 2af2 n ARG 79 Ca 0.00 1.30 -0.30 0.00 -1.00 0.00 0.00 57.85 57.85 2af2 n ARG 79 Cb 0.04 -1.77 0.21 0.00 -1.05 0.00 0.00 32.46 29.89 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2af2 n HIS 80 N 1.70 -0.66 0.30 2.89 8.25 -1.25 -4.92 115.22 121.53 2af2 n HIS 80 Ca 0.00 0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.67 2af2 n HIS 80 Cb 0.00 -1.78 0.34 0.00 1.12 0.00 0.00 29.99 29.67 2af2 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2af2 h VAL 81 N -2.29 0.00 -0.64 1.59 3.04 -1.96 -2.81 116.25 113.17 2af2 h VAL 81 Ca -0.54 -0.77 -0.29 0.00 -1.01 0.00 0.00 66.70 64.10 2af2 h VAL 81 Cb 1.31 1.76 -0.17 0.00 -2.01 0.00 0.00 31.29 32.18 2af2 h VAL 81 CO 0.44 0.00 0.36 0.61 -1.01 0.00 0.00 177.57 177.97 2af2 n GLY 82 N 0.82 3.50 3.56 3.17 0.00 -1.26 -4.91 105.19 110.08 2af2 n GLY 82 Ca 0.03 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.61 5.09 0.53 1.61 1.11 -1.06 0.13 116.67 123.47 2af2 s ASP 83 Ca 0.40 -0.03 0.03 0.00 0.18 0.00 0.00 52.55 53.13 2af2 s ASP 83 Cb 0.33 -1.78 0.01 0.00 1.07 0.00 0.00 42.92 42.56 2af2 s ASP 83 CO 0.09 0.20 0.20 -0.76 1.18 0.00 0.00 175.17 176.08 2af2 s LEU 84 N 0.16 2.47 0.00 1.23 1.43 -1.24 -4.93 118.68 117.79 2af2 s LEU 84 Ca 0.01 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 2af2 s LEU 84 Cb -0.13 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2af2 s LEU 84 CO 0.02 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.22 2af2 n GLY 85 N -1.52 0.66 3.28 -3.19 0.00 -1.26 -4.63 105.19 98.53 2af2 n GLY 85 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.00 2.35 -0.36 1.61 0.01 -1.26 -3.24 114.94 113.04 2af2 s ASN 86 Ca 0.00 -0.81 -0.01 0.00 -0.71 0.00 0.00 52.86 51.32 2af2 s ASN 86 Cb 0.00 -0.11 0.09 0.00 0.41 0.00 0.00 41.25 41.64 2af2 s ASN 86 CO 0.00 -0.07 0.11 0.68 -1.51 0.00 0.00 177.10 176.31 2af2 s VAL 87 N -1.97 2.99 -0.15 1.60 -7.23 0.92 -4.94 120.40 111.62 2af2 s VAL 87 Ca 0.11 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.15 2af2 s VAL 87 Cb -0.06 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2af2 s VAL 87 CO 0.05 -0.51 0.59 -0.89 -0.31 0.00 0.00 175.10 174.03 2af2 s THR 88 N 1.12 5.08 0.25 5.32 2.01 -1.26 -1.28 115.64 126.88 2af2 s THR 88 Ca 0.05 1.15 -0.10 0.00 0.31 0.00 0.00 61.69 63.10 2af2 s THR 88 Cb -0.21 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 2af2 s THR 88 CO -0.04 0.21 0.58 0.00 -0.69 0.00 0.00 174.62 174.68 2af2 s ALA 89 N 1.27 3.53 0.60 7.40 0.00 -0.10 -4.31 121.76 130.16 2af2 s ALA 89 Ca 0.29 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 2af2 s ALA 89 Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2af2 s ALA 89 CO 0.12 0.45 1.00 0.34 0.00 0.00 0.00 175.76 177.67 2af2 s ASP 90 N -2.43 6.23 0.62 0.00 2.15 0.16 -1.65 116.67 121.76 2af2 s ASP 90 Ca 0.48 1.36 0.17 0.00 0.43 0.00 0.00 52.55 54.99 2af2 s ASP 90 Cb -0.11 -2.44 0.91 0.00 -0.30 0.00 0.00 42.92 40.98 2af2 s ASP 90 CO 0.22 -0.83 1.49 0.07 -0.17 0.00 0.00 175.17 175.95 2af2 h LYS 91 N -0.25 0.00 0.00 4.34 2.10 -1.96 0.24 116.57 121.04 2af2 h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2af2 h LYS 91 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2af2 h LYS 91 CO 0.62 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.60 2af2 n ASP 92 N -2.63 0.26 0.00 7.07 2.03 -1.26 -4.90 116.55 117.12 2af2 n ASP 92 Ca -0.01 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2af2 n ASP 92 Cb 0.61 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2af2 n GLY 93 N 0.67 0.78 3.29 0.27 0.00 0.85 -4.93 105.19 106.11 2af2 n GLY 93 Ca 0.05 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 2.50 -0.60 1.61 0.11 -1.21 -1.74 120.40 119.07 2af2 s VAL 94 Ca 0.00 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 58.04 2af2 s VAL 94 Cb 0.00 -2.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.00 2af2 s VAL 94 CO 0.00 0.55 0.54 0.00 -3.33 0.00 0.00 175.10 172.86 2af2 s ALA 95 N 0.29 3.72 0.23 1.54 0.00 0.15 -0.66 121.76 127.03 2af2 s ALA 95 Ca -0.14 -2.75 -0.12 0.00 0.00 0.00 0.00 51.96 48.95 2af2 s ALA 95 Cb -0.17 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 2af2 s ALA 95 CO 0.07 -2.07 0.59 0.34 0.00 0.00 0.00 175.76 174.69 2af2 s ASP 96 N 3.04 6.70 0.03 0.00 2.15 -1.26 -0.66 116.67 126.67 2af2 s ASP 96 Ca 0.07 1.03 0.03 0.00 0.43 0.00 0.00 52.55 54.11 2af2 s ASP 96 Cb -0.24 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.09 2af2 s ASP 96 CO -0.01 -0.06 -0.10 0.54 -0.17 0.00 0.00 175.17 175.37 2af2 s VAL 97 N -1.78 0.75 -0.40 1.11 0.11 -0.22 -4.91 120.40 115.06 2af2 s VAL 97 Ca 0.47 -0.87 0.08 0.00 -2.93 0.00 0.00 61.98 58.73 2af2 s VAL 97 Cb -0.12 -0.72 0.18 0.00 -1.53 0.00 0.00 36.38 34.19 2af2 s VAL 97 CO 0.20 -0.12 0.63 -0.94 -3.33 0.00 0.00 175.10 171.55 2af2 s SER 98 N -1.10 -1.53 0.30 3.54 1.04 -1.25 -2.51 113.70 112.19 2af2 s SER 98 Ca -0.03 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 2af2 s SER 98 Cb -0.07 1.95 -0.01 0.00 0.10 0.00 0.00 66.02 67.98 2af2 s SER 98 CO 0.01 -0.17 0.38 0.27 0.98 0.00 0.00 173.24 174.70 2af2 s ILE 99 N 1.89 0.00 -0.02 -1.02 -0.00 0.47 -5.02 121.20 117.51 2af2 s ILE 99 Ca 0.16 -1.72 -0.07 0.00 -0.00 0.00 0.00 60.65 59.02 2af2 s ILE 99 Cb -0.04 -2.52 0.01 0.00 -0.00 0.00 0.00 42.46 39.90 2af2 s ILE 99 CO -0.08 0.00 0.15 -0.70 -0.00 0.00 0.00 174.94 174.31 2af2 s GLU 100 N -3.47 0.40 0.04 0.37 2.12 -1.26 0.46 118.70 117.36 2af2 s GLU 100 Ca 0.33 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 2af2 s GLU 100 Cb 0.01 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2af2 s GLU 100 CO 0.18 -0.09 0.07 0.34 -0.54 0.00 0.00 175.26 175.23 2af2 s ASP 101 N -0.93 0.24 -0.60 -1.70 -1.08 -1.11 -4.98 116.67 106.50 2af2 s ASP 101 Ca -0.10 -0.63 0.06 0.00 -0.52 0.00 0.00 52.55 51.35 2af2 s ASP 101 Cb -0.06 0.22 0.30 0.00 -1.46 0.00 0.00 42.92 41.92 2af2 s ASP 101 CO 0.01 -0.53 0.84 -1.54 0.52 0.00 0.00 175.17 174.47 2af2 n SER 102 N 0.63 3.96 0.00 -0.34 3.41 -1.26 -2.22 113.62 117.81 2af2 n SER 102 Ca -0.18 -3.54 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 2af2 n SER 102 Cb 0.59 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.29 0.00 -2.69 -3.33 3.14 -1.26 -4.96 118.33 109.52 2af2 n VAL 103 Ca 0.30 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.35 2af2 n VAL 103 Cb 0.41 -0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 33.08 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 -1.68 4.21 0.11 1.55 -0.00 -1.26 -5.00 121.20 119.13 2af2 s ILE 104 Ca 0.00 1.35 -0.10 0.00 -0.00 0.00 0.00 60.65 61.89 2af2 s ILE 104 Cb 0.00 -3.56 0.00 0.00 -0.00 0.00 0.00 42.46 38.91 2af2 s ILE 104 CO 0.00 -0.33 0.25 -0.94 -0.00 0.00 0.00 174.94 173.93 2af2 s SER 105 N -2.20 0.04 -0.78 4.36 1.04 -1.26 -4.26 113.70 110.64 2af2 s SER 105 Ca 0.63 -0.63 -0.26 0.00 0.48 0.00 0.00 55.95 56.17 2af2 s SER 105 Cb -0.11 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2af2 s SER 105 CO 0.17 -0.79 1.42 -0.76 0.98 0.00 0.00 173.24 174.26 2af2 s LEU 106 N -2.87 3.24 0.00 2.42 1.43 -1.13 -0.40 118.68 121.37 2af2 s LEU 106 Ca 0.07 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2af2 s LEU 106 Cb 0.04 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2af2 s LEU 106 CO -0.09 -1.90 0.06 -0.24 0.23 0.00 0.00 176.35 174.41 2af2 n SER 107 N 9.99 0.00 0.00 2.29 2.88 -0.23 -4.16 113.62 124.40 2af2 n SER 107 Ca 0.12 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2af2 n SER 107 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2af2 n GLY 108 N 0.00 2.20 0.27 0.46 0.00 -0.45 -3.58 105.19 104.10 2af2 n GLY 108 Ca 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2af2 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2af2 h ASP 109 N 0.00 0.00 1.53 1.61 5.19 -1.89 -0.35 116.42 122.52 2af2 h ASP 109 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2af2 h ASP 109 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2af2 h ASP 109 CO 0.00 0.08 -0.41 0.45 -3.12 0.00 0.00 179.24 176.24 2af2 h HIS 110 N 0.00 0.00 0.00 4.55 3.86 -1.91 -3.49 115.15 118.15 2af2 h HIS 110 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2af2 h HIS 110 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2af2 h HIS 110 CO 0.00 0.41 0.00 0.43 0.86 0.00 0.00 177.93 179.63 2af2 n SER 111 N -3.22 0.00 -4.82 2.45 7.64 -0.14 -4.92 113.62 110.61 2af2 n SER 111 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2af2 n SER 111 Cb 0.69 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 2af2 n SER 111 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2af2 s ILE 112 N 2.02 4.73 0.00 0.44 -1.09 0.46 -4.63 121.20 123.14 2af2 s ILE 112 Ca 0.00 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 2af2 s ILE 112 Cb 0.00 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2af2 s ILE 112 CO 0.00 0.40 0.00 -0.38 -1.23 0.00 0.00 174.94 173.73 2af2 n ILE 113 N 1.26 -0.39 -1.04 2.92 2.08 -1.26 -1.06 119.36 121.86 2af2 n ILE 113 Ca -0.07 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.22 2af2 n ILE 113 Cb 0.51 -0.24 -0.01 0.00 -0.75 0.00 0.00 39.64 39.15 2af2 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2af2 n GLY 114 N 1.33 0.52 3.78 7.39 0.00 0.65 -3.82 105.19 115.03 2af2 n GLY 114 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 2af2 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2af2 s ARG 115 N -1.31 2.19 -0.26 1.61 0.52 -1.26 -2.21 118.95 118.23 2af2 s ARG 115 Ca 0.00 -2.24 0.03 0.00 -0.52 0.00 0.00 55.73 53.00 2af2 s ARG 115 Cb 0.00 -1.72 0.06 0.00 0.52 0.00 0.00 34.95 33.81 2af2 s ARG 115 CO 0.00 -0.37 -0.11 0.99 0.02 0.00 0.00 175.30 175.83 2af2 s THR 116 N -2.81 2.21 -0.14 0.02 2.01 -1.17 -0.77 115.64 114.98 2af2 s THR 116 Ca 0.18 -1.61 -0.20 0.00 0.31 0.00 0.00 61.69 60.38 2af2 s THR 116 Cb 0.02 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2af2 s THR 116 CO 0.10 -0.02 0.57 -0.22 -0.69 0.00 0.00 174.62 174.36 2af2 s LEU 117 N 1.11 4.23 -0.04 4.42 2.96 -0.14 -0.18 118.68 131.04 2af2 s LEU 117 Ca -0.08 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 2af2 s LEU 117 Cb -0.20 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 2af2 s LEU 117 CO -0.05 -0.12 -0.19 0.54 -1.32 0.00 0.00 176.35 175.21 2af2 s VAL 118 N 1.15 2.64 0.12 1.68 0.11 0.09 -0.77 120.40 125.41 2af2 s VAL 118 Ca 0.29 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2af2 s VAL 118 Cb -0.16 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.66 2af2 s VAL 118 CO 0.12 0.58 0.22 0.68 -3.33 0.00 0.00 175.10 173.37 2af2 s VAL 119 N -0.64 5.13 0.06 2.04 -7.23 -0.10 -2.04 120.40 117.63 2af2 s VAL 119 Ca 0.10 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 59.70 2af2 s VAL 119 Cb -0.11 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 2af2 s VAL 119 CO 0.00 0.00 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.54 2af2 s HIS 120 N -1.63 2.35 0.16 2.82 3.76 0.40 -2.04 115.29 121.10 2af2 s HIS 120 Ca 0.34 -0.38 0.23 0.00 -0.15 0.00 0.00 55.06 55.09 2af2 s HIS 120 Cb -0.12 -1.37 0.90 0.00 1.11 0.00 0.00 32.58 33.10 2af2 s HIS 120 CO 0.27 0.19 1.82 1.05 -0.85 0.00 0.00 174.74 177.22 2af2 h GLU 121 N 4.56 0.00 -5.75 1.40 4.11 -1.41 -3.30 114.58 114.19 2af2 h GLU 121 Ca -0.48 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.35 2af2 h GLU 121 Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 2af2 h GLU 121 CO 0.43 0.25 -0.38 0.15 0.07 0.00 0.00 179.01 179.53 2af2 s LYS 122 N -3.68 2.24 0.51 1.06 3.01 -1.25 -4.92 119.74 116.71 2af2 s LYS 122 Ca 0.00 -2.08 -0.21 0.00 -1.01 0.00 0.00 55.97 52.67 2af2 s LYS 122 Cb 0.11 -1.95 -0.08 0.00 -1.01 0.00 0.00 37.83 34.89 2af2 s LYS 122 CO 0.64 -0.48 0.92 0.00 0.51 0.00 0.00 175.35 176.95 2af2 n ALA 123 N -1.57 -0.01 -1.97 5.17 0.00 -0.91 -0.64 120.51 120.57 2af2 n ALA 123 Ca -0.06 0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 2af2 n ALA 123 Cb 0.65 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.99 7.36 -0.05 0.00 -1.08 -1.26 -4.29 116.67 116.37 2af2 s ASP 124 Ca 0.68 1.64 -0.26 0.00 -0.52 0.00 0.00 52.55 54.09 2af2 s ASP 124 Cb -0.49 -2.50 -0.21 0.00 -1.46 0.00 0.00 42.92 38.26 2af2 s ASP 124 CO 0.53 0.17 1.16 -0.78 0.52 0.00 0.00 175.17 176.77 2af2 h ASP 125 N 4.12 0.02 -0.39 -0.34 3.58 -1.61 -3.47 116.42 118.33 2af2 h ASP 125 Ca -0.47 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.38 2af2 h ASP 125 Cb 1.20 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2af2 h ASP 125 CO 0.66 0.62 0.00 0.18 -2.88 0.00 0.00 179.24 177.82 2af2 n LEU 126 N -4.78 -0.86 0.00 2.28 4.77 -1.26 -4.74 117.00 112.41 2af2 n LEU 126 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2af2 n LEU 126 Cb 0.31 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2af2 n LEU 126 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2af2 n GLY 127 N -0.36 1.66 0.00 -0.72 0.00 -1.05 -3.98 105.19 100.75 2af2 n GLY 127 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.34 0.00 -2.03 1.61 4.81 -1.25 -4.71 118.16 115.25 2af2 n LYS 128 Ca 0.00 -0.11 -0.43 0.00 -0.87 0.00 0.00 58.31 56.91 2af2 n LYS 128 Cb 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 35.03 34.92 2af2 n LYS 128 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2af2 s GLY 129 N -0.00 1.36 0.00 3.14 0.00 -1.26 -4.88 107.32 105.68 2af2 s GLY 129 Ca 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 2af2 s GLY 129 CO 0.00 3.06 1.32 0.61 0.00 0.00 0.00 173.10 178.09 2af2 n GLY 130 N 4.41 1.65 0.00 0.20 0.00 -1.26 -4.13 105.19 106.05 2af2 n GLY 130 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 130 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2af2 n ASN 131 N 2.07 0.00 0.00 1.61 3.02 -1.26 -5.11 115.26 115.59 2af2 n ASN 131 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2af2 n ASN 131 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2af2 n ASN 131 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2af2 n GLU 132 N -1.06 0.00 -0.27 3.52 0.00 -1.26 -5.00 120.64 116.58 2af2 n GLU 132 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 2af2 n GLU 132 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 31.44 31.83 2af2 n GLU 132 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2af2 h GLU 133 N 0.00 0.65 0.00 5.31 4.22 -1.99 -1.90 114.58 120.87 2af2 h GLU 133 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2af2 h GLU 133 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2af2 h GLU 133 CO 0.00 0.43 0.00 0.77 -2.18 0.00 0.00 179.01 178.03 2af2 h SER 134 N 0.67 0.00 0.03 1.04 0.02 -1.88 0.13 113.55 113.57 2af2 h SER 134 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2af2 h SER 134 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2af2 h SER 134 CO -0.21 0.00 -0.98 1.07 -1.14 0.00 0.00 176.83 175.56 2af2 n THR 135 N -2.86 0.00 0.00 -2.27 5.66 -0.72 -2.52 114.28 111.57 2af2 n THR 135 Ca -0.02 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2af2 n THR 135 Cb 0.12 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 2af2 n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2af2 n LYS 136 N -1.51 0.00 -0.03 1.09 5.02 -0.05 -1.80 118.16 120.86 2af2 n LYS 136 Ca 0.04 0.21 -0.05 0.00 -2.02 0.00 0.00 58.31 56.48 2af2 n LYS 136 Cb 0.33 -0.68 -0.13 0.00 -0.02 0.00 0.00 35.03 34.53 2af2 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2af2 n THR 137 N -1.23 1.31 0.00 -0.18 -2.24 -0.67 -3.91 114.28 107.36 2af2 n THR 137 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2af2 n THR 137 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 1.55 1.66 2.46 3.38 0.00 -1.21 -4.84 105.19 108.19 2af2 n GLY 138 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -5.73 -0.92 1.61 4.05 -1.26 -1.68 115.26 111.32 2af2 n ASN 139 Ca 0.00 -0.05 0.00 0.00 0.45 0.00 0.00 54.58 54.98 2af2 n ASN 139 Cb 0.00 -4.73 0.00 0.00 1.23 0.00 0.00 39.78 36.28 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 -2.17 1.68 0.00 5.20 0.00 -1.26 -4.73 120.51 119.23 2af2 n ALA 140 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2af2 n ALA 140 Cb 0.67 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.80 1.11 0.00 0.00 0.00 -1.26 -3.89 105.19 101.94 2af2 n GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2af2 n SER 142 N 0.00 0.00 -4.01 1.61 2.88 -1.26 -4.76 113.62 108.08 2af2 n SER 142 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2af2 n SER 142 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.67 2af2 n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 143 N -1.89 -0.01 0.00 -1.46 3.03 -1.26 -3.23 118.95 114.12 2af2 s ARG 143 Ca 0.00 -0.31 0.00 0.00 2.03 0.00 0.00 55.73 57.45 2af2 s ARG 143 Cb 0.00 -1.76 0.00 0.00 -1.03 0.00 0.00 34.95 32.16 2af2 s ARG 143 CO 0.00 -2.87 0.00 -0.11 -1.13 0.00 0.00 175.30 171.19 2af2 n LEU 144 N -4.11 0.00 -5.01 -1.89 7.94 -0.87 -2.18 117.00 110.89 2af2 n LEU 144 Ca 0.15 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.87 2af2 n LEU 144 Cb 0.59 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.56 2af2 n LEU 144 CO 0.45 0.00 0.17 0.00 -1.11 0.00 0.00 177.39 176.91 2af2 s ALA 145 N -1.00 4.46 -0.00 1.96 0.00 -1.24 -4.80 121.76 121.13 2af2 s ALA 145 Ca 0.00 -1.63 -0.24 0.00 0.00 0.00 0.00 51.96 50.08 2af2 s ALA 145 Cb 0.00 -1.68 0.05 0.00 0.00 0.00 0.00 23.12 21.49 2af2 s ALA 145 CO 0.00 -0.33 0.55 0.00 0.00 0.00 0.00 175.76 175.97 2af2 s GLY 147 N -1.55 -0.49 0.42 0.00 0.00 0.05 -0.46 107.32 105.28 2af2 s GLY 147 Ca -0.09 1.67 -0.20 0.00 0.00 0.00 0.00 44.72 46.10 2af2 s GLY 147 CO 0.04 1.40 0.92 0.14 0.00 0.00 0.00 173.10 175.60 2af2 s VAL 148 N -0.02 4.43 -0.59 1.40 1.01 -1.26 -0.96 120.40 124.41 2af2 s VAL 148 Ca -0.03 1.42 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 2af2 s VAL 148 Cb -0.04 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.80 2af2 s VAL 148 CO 0.03 -0.31 0.91 -0.63 0.00 0.00 0.00 175.10 175.10 2af2 s ILE 149 N -2.16 4.42 0.39 2.22 1.01 0.05 -4.12 121.20 123.01 2af2 s ILE 149 Ca 0.61 -0.10 0.07 0.00 0.00 0.00 0.00 60.65 61.24 2af2 s ILE 149 Cb -0.09 -4.57 -0.08 0.00 0.01 0.00 0.00 42.46 37.73 2af2 s ILE 149 CO 0.14 -1.22 -0.01 -0.83 0.00 0.00 0.00 174.94 173.02 2af2 s GLY 150 N 3.18 2.40 -0.14 6.18 0.00 -0.65 -0.26 107.32 118.03 2af2 s GLY 150 Ca 0.25 -2.24 -0.29 0.00 0.00 0.00 0.00 44.72 42.44 2af2 s GLY 150 CO 0.14 -2.06 0.99 -0.26 0.00 0.00 0.00 173.10 171.92 2af2 s ILE 151 N -2.74 4.77 -0.13 0.90 -5.25 -1.26 0.05 121.20 117.54 2af2 s ILE 151 Ca 0.34 1.99 0.10 0.00 -0.99 0.00 0.00 60.65 62.09 2af2 s ILE 151 Cb 0.08 -4.29 -0.23 0.00 2.95 0.00 0.00 42.46 40.97 2af2 s ILE 151 CO 0.17 -0.03 0.34 0.00 -1.79 0.00 0.00 174.94 173.64 2af2 n ALA 152 N 5.32 1.40 -0.86 2.27 0.00 -0.42 -4.90 120.51 123.32 2af2 n ALA 152 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2af2 n ALA 152 Cb 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44