#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 -0.95 -0.62 0.00 -1.32 -1.16 -4.91 115.64 106.68 2af2 s THR 2 Ca 0.00 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 2af2 s THR 2 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2af2 s THR 2 CO 0.00 0.00 1.00 -0.54 -2.21 0.00 0.00 174.62 172.87 2af2 s LYS 3 N 2.86 3.23 0.78 7.08 3.01 -1.26 -1.74 119.74 133.70 2af2 s LYS 3 Ca 0.02 -0.49 -0.12 0.00 -1.01 0.00 0.00 55.97 54.38 2af2 s LYS 3 Cb -0.12 -4.14 0.06 0.00 -1.01 0.00 0.00 37.83 32.62 2af2 s LYS 3 CO -0.19 -1.71 1.12 0.00 0.51 0.00 0.00 175.35 175.08 2af2 s ALA 4 N 4.23 2.51 0.00 5.17 0.00 -0.52 -2.83 121.76 130.32 2af2 s ALA 4 Ca 0.28 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2af2 s ALA 4 Cb -0.14 -3.03 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2af2 s ALA 4 CO 0.15 -1.58 -0.02 0.08 0.00 0.00 0.00 175.76 174.39 2af2 s VAL 5 N -3.35 0.14 -0.23 0.00 1.01 -0.19 -0.76 120.40 117.03 2af2 s VAL 5 Ca 0.61 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.47 2af2 s VAL 5 Cb -0.12 -0.14 0.05 0.00 0.00 0.00 0.00 36.38 36.17 2af2 s VAL 5 CO 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 175.10 175.50 2af2 s ALA 6 N -0.14 2.30 -1.13 5.51 0.00 -0.51 -1.98 121.76 125.81 2af2 s ALA 6 Ca -0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.39 2af2 s ALA 6 Cb -0.01 -1.41 0.25 0.00 0.00 0.00 0.00 23.12 21.94 2af2 s ALA 6 CO -0.00 -0.93 1.19 0.14 0.00 0.00 0.00 175.76 176.15 2af2 s VAL 7 N 1.25 5.71 0.66 0.00 -7.23 -1.26 -1.01 120.40 118.53 2af2 s VAL 7 Ca -0.04 -3.16 -0.13 0.00 -1.81 0.00 0.00 61.98 56.84 2af2 s VAL 7 Cb -0.18 -4.69 -0.00 0.00 0.56 0.00 0.00 36.38 32.07 2af2 s VAL 7 CO -0.07 -1.31 1.06 -0.76 -0.31 0.00 0.00 175.10 173.71 2af2 s LEU 8 N -0.39 3.27 0.08 1.32 1.02 0.48 -4.85 118.68 119.60 2af2 s LEU 8 Ca 0.34 1.73 -0.11 0.00 0.02 0.00 0.00 54.13 56.11 2af2 s LEU 8 Cb -0.08 -4.52 0.01 0.00 0.02 0.00 0.00 46.19 41.62 2af2 s LEU 8 CO -0.06 -1.42 0.25 -0.75 0.02 0.00 0.00 176.35 174.39 2af2 s LYS 9 N -4.62 0.86 0.31 1.70 2.20 -0.59 -1.96 119.74 117.65 2af2 s LYS 9 Ca 0.61 -0.80 0.11 0.00 -0.36 0.00 0.00 55.97 55.53 2af2 s LYS 9 Cb -0.15 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 2af2 s LYS 9 CO 0.48 -0.28 -0.13 0.20 -0.36 0.00 0.00 175.35 175.25 2af2 s GLY 10 N -2.62 2.04 -1.02 5.54 0.00 -0.02 -1.14 107.32 110.09 2af2 s GLY 10 Ca 0.02 -1.98 -0.07 0.00 0.00 0.00 0.00 44.72 42.69 2af2 s GLY 10 CO -0.09 -1.98 2.71 1.22 0.00 0.00 0.00 173.10 174.96 2af2 n ASP 11 N -0.74 6.50 0.00 1.64 9.92 -1.26 -4.58 116.55 128.03 2af2 n ASP 11 Ca -0.05 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 2af2 n ASP 11 Cb 0.62 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2af2 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2af2 n GLY 12 N 3.41 -1.10 1.63 0.44 0.00 -1.26 -5.03 105.19 103.27 2af2 n GLY 12 Ca 0.58 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 1.26 -4.37 1.61 -0.04 -1.26 -4.79 135.00 127.41 2af2 n PRO 13 Ca 0.00 -0.27 -0.22 0.00 -0.04 0.00 0.00 63.50 62.97 2af2 n PRO 13 Cb 0.00 -1.26 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.23 0.85 0.27 0.52 1.01 -1.26 -4.19 120.40 117.83 2af2 s VAL 14 Ca 0.17 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2af2 s VAL 14 Cb 0.08 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2af2 s VAL 14 CO -0.00 0.29 0.67 0.00 0.00 0.00 0.00 175.10 176.07 2af2 s GLN 15 N 0.80 1.72 -0.24 2.72 0.00 -0.80 -0.84 119.66 123.01 2af2 s GLN 15 Ca -0.13 -1.00 -0.19 0.00 -0.00 0.00 0.00 55.36 54.05 2af2 s GLN 15 Cb -0.15 0.59 0.07 0.00 0.00 0.00 0.00 33.01 33.51 2af2 s GLN 15 CO 0.02 -0.77 0.62 0.20 0.00 0.00 0.00 175.29 175.35 2af2 s GLY 16 N -2.92 -0.50 -0.11 2.60 0.00 -0.83 -0.62 107.32 104.93 2af2 s GLY 16 Ca 0.12 1.94 -0.15 0.00 0.00 0.00 0.00 44.72 46.63 2af2 s GLY 16 CO 0.06 1.81 0.38 -1.50 0.00 0.00 0.00 173.10 173.85 2af2 s ILE 17 N 0.85 5.22 -0.14 0.90 -1.16 -0.76 -0.39 121.20 125.72 2af2 s ILE 17 Ca -0.04 0.75 -0.04 0.00 -0.51 0.00 0.00 60.65 60.81 2af2 s ILE 17 Cb -0.05 -3.71 0.05 0.00 0.61 0.00 0.00 42.46 39.36 2af2 s ILE 17 CO -0.07 0.41 0.07 -0.63 -2.81 0.00 0.00 174.94 171.91 2af2 s ILE 18 N 0.21 0.01 0.34 2.00 -1.09 -0.18 -1.01 121.20 121.47 2af2 s ILE 18 Ca 0.21 -0.06 -0.26 0.00 -2.23 0.00 0.00 60.65 58.31 2af2 s ILE 18 Cb -0.14 -0.53 -0.10 0.00 -1.58 0.00 0.00 42.46 40.11 2af2 s ILE 18 CO 0.08 -0.14 0.98 0.20 -1.23 0.00 0.00 174.94 174.83 2af2 s ASN 19 N 2.10 7.21 -0.35 3.58 0.02 0.32 -1.42 114.94 126.41 2af2 s ASN 19 Ca 0.02 1.92 0.03 0.00 -1.02 0.00 0.00 52.86 53.81 2af2 s ASN 19 Cb -0.15 -2.58 0.10 0.00 0.02 0.00 0.00 41.25 38.64 2af2 s ASN 19 CO -0.07 -0.16 0.08 -0.36 0.02 0.00 0.00 177.10 176.60 2af2 s PHE 20 N -1.58 3.12 -0.60 2.20 0.40 0.06 -1.69 117.98 119.89 2af2 s PHE 20 Ca 0.51 -2.65 -0.28 0.00 -0.60 0.00 0.00 56.93 53.91 2af2 s PHE 20 Cb -0.21 -2.56 0.03 0.00 0.51 0.00 0.00 43.02 40.79 2af2 s PHE 20 CO 0.26 -0.91 1.21 -2.00 0.70 0.00 0.00 175.22 174.48 2af2 s GLU 21 N 1.01 3.47 -1.21 0.44 -6.30 0.40 -1.44 118.70 115.07 2af2 s GLU 21 Ca 0.11 0.20 -0.20 0.00 -2.50 0.00 0.00 54.97 52.58 2af2 s GLU 21 Cb -0.19 -4.04 0.05 0.00 0.00 0.00 0.00 34.13 29.95 2af2 s GLU 21 CO -0.12 -1.75 1.67 -1.14 0.02 0.00 0.00 175.26 173.94 2af2 s GLN 22 N 5.08 3.77 0.09 4.30 2.00 -0.71 -2.30 119.66 131.89 2af2 s GLN 22 Ca 0.42 -1.67 -0.24 0.00 -2.00 0.00 0.00 55.36 51.87 2af2 s GLN 22 Cb -0.08 -5.46 -0.14 0.00 0.80 0.00 0.00 33.01 28.13 2af2 s GLN 22 CO 0.24 -2.35 1.72 1.57 -0.50 0.00 0.00 175.29 175.97 2af2 h LYS 23 N 8.39 -0.09 -4.61 1.67 2.10 -1.88 0.30 116.57 122.45 2af2 h LYS 23 Ca 0.36 0.01 -0.42 0.00 -2.00 0.00 0.00 60.65 58.59 2af2 h LYS 23 Cb 0.92 0.02 -0.30 0.00 -0.90 0.00 0.00 32.23 31.96 2af2 h LYS 23 CO 1.43 -0.06 -0.79 -1.21 -2.00 0.00 0.00 179.45 176.83 2af2 s GLU 24 N -6.18 0.92 0.00 0.07 8.01 -1.26 -0.32 118.70 119.95 2af2 s GLU 24 Ca -0.14 -0.31 0.11 0.00 0.01 0.00 0.00 54.97 54.65 2af2 s GLU 24 Cb 0.06 -0.87 0.56 0.00 -4.31 0.00 0.00 34.13 29.58 2af2 s GLU 24 CO 0.66 0.13 1.21 -1.13 0.01 0.00 0.00 175.26 176.14 2af2 n SER 25 N 3.22 0.00 0.00 -0.19 3.41 -1.26 -1.41 113.62 117.39 2af2 n SER 25 Ca -0.17 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2af2 n SER 25 Cb 0.55 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2af2 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2af2 n ASN 26 N -1.24 1.05 0.00 4.04 6.94 -1.26 -4.92 115.26 119.87 2af2 n ASN 26 Ca 0.06 -1.17 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 2af2 n ASN 26 Cb 0.08 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2af2 n GLY 27 N -0.08 4.22 3.95 4.83 0.00 -0.50 -5.15 105.19 112.45 2af2 n GLY 27 Ca 0.00 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 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 2.53 1.83 -0.10 1.61 0.04 -1.26 -4.84 135.00 134.82 2af2 s PRO 28 Ca 0.00 -0.49 0.01 0.00 0.04 0.00 0.00 61.00 60.56 2af2 s PRO 28 Cb 0.00 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 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 -3.31 3.08 -0.26 -0.36 1.01 0.24 -3.91 120.40 116.89 2af2 s VAL 29 Ca 0.64 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 2af2 s VAL 29 Cb -0.08 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2af2 s VAL 29 CO 0.46 0.55 0.16 -0.75 0.00 0.00 0.00 175.10 175.51 2af2 s LYS 30 N -0.09 3.93 -0.18 2.72 2.20 -0.97 -1.15 119.74 126.19 2af2 s LYS 30 Ca -0.02 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2af2 s LYS 30 Cb -0.14 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2af2 s LYS 30 CO 0.04 -0.10 -0.17 0.08 -0.36 0.00 0.00 175.35 174.83 2af2 s VAL 31 N 1.49 1.95 0.08 4.02 1.01 0.14 -0.46 120.40 128.63 2af2 s VAL 31 Ca 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2af2 s VAL 31 Cb -0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2af2 s VAL 31 CO 0.08 0.45 0.02 -1.66 0.00 0.00 0.00 175.10 173.99 2af2 s TRP 32 N 1.32 0.61 -5.00 5.22 -2.14 -0.68 -0.38 118.94 117.89 2af2 s TRP 32 Ca 0.03 -1.09 0.00 0.00 2.66 0.00 0.00 56.10 57.71 2af2 s TRP 32 Cb -0.14 -0.39 0.00 0.00 -3.10 0.00 0.00 33.47 29.84 2af2 s TRP 32 CO -0.12 -0.45 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 2af2 n GLY 33 N 0.02 0.40 3.56 3.67 0.00 -0.27 -0.52 105.19 112.05 2af2 n GLY 33 Ca -0.11 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.75 -0.31 1.61 1.04 -0.18 -0.52 113.70 110.60 2af2 s SER 34 Ca 0.00 1.34 -0.06 0.00 0.48 0.00 0.00 55.95 57.71 2af2 s SER 34 Cb 0.00 1.30 0.02 0.00 0.10 0.00 0.00 66.02 67.44 2af2 s SER 34 CO 0.00 -0.23 0.07 -0.63 0.98 0.00 0.00 173.24 173.43 2af2 s ILE 35 N 0.84 3.75 -0.05 -1.02 1.09 -0.38 -1.83 121.20 123.60 2af2 s ILE 35 Ca -0.04 -0.91 0.06 0.00 -1.10 0.00 0.00 60.65 58.66 2af2 s ILE 35 Cb -0.05 -3.01 -0.01 0.00 -1.06 0.00 0.00 42.46 38.33 2af2 s ILE 35 CO -0.07 -0.01 -0.24 -0.75 -0.10 0.00 0.00 174.94 173.77 2af2 s LYS 36 N 1.44 2.40 0.00 2.79 2.20 0.21 -0.79 119.74 127.99 2af2 s LYS 36 Ca 0.00 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2af2 s LYS 36 Cb -0.18 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 2af2 s LYS 36 CO 0.02 0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 2af2 n GLY 37 N 2.91 1.06 2.93 5.54 0.00 -0.17 -1.91 105.19 115.56 2af2 n GLY 37 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.56 0.99 4.32 -0.55 -4.77 117.00 112.43 2af2 n LEU 38 Ca 0.00 -0.96 -0.26 0.00 -0.02 0.00 0.00 56.01 54.77 2af2 n LEU 38 Cb 0.00 -0.85 -0.09 0.00 -1.62 0.00 0.00 43.42 40.86 2af2 n LEU 38 CO 0.00 -2.04 -0.41 0.28 -1.22 0.00 0.00 177.39 174.00 2af2 s THR 39 N -2.61 3.11 0.45 -5.08 -1.32 -1.26 -4.08 115.64 104.85 2af2 s THR 39 Ca 0.60 -1.82 -0.22 0.00 -1.21 0.00 0.00 61.69 59.04 2af2 s THR 39 Cb -0.06 -2.57 -0.11 0.00 -1.51 0.00 0.00 72.50 68.24 2af2 s THR 39 CO 0.46 -0.20 0.65 -1.84 -2.21 0.00 0.00 174.62 171.48 2af2 n GLU 40 N -0.22 0.73 0.00 7.08 0.00 -1.24 -4.62 120.64 122.37 2af2 n GLU 40 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2af2 n GLU 40 Cb 0.57 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 30.34 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2af2 n GLY 41 N 1.65 -3.47 3.78 -1.84 0.00 -0.29 -4.84 105.19 100.17 2af2 n GLY 41 Ca 0.11 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 3.74 -0.13 0.99 1.02 -1.26 -0.50 118.68 122.54 2af2 s LEU 42 Ca 0.00 2.15 -0.05 0.00 0.02 0.00 0.00 54.13 56.25 2af2 s LEU 42 Cb 0.00 -4.58 0.06 0.00 0.02 0.00 0.00 46.19 41.69 2af2 s LEU 42 CO 0.00 -1.20 0.27 -1.00 0.02 0.00 0.00 176.35 174.44 2af2 s HIS 43 N -1.81 -0.42 0.79 0.29 3.76 -0.67 -2.39 115.29 114.84 2af2 s HIS 43 Ca 0.72 0.95 -0.14 0.00 -0.15 0.00 0.00 55.06 56.45 2af2 s HIS 43 Cb -0.23 0.03 0.07 0.00 1.11 0.00 0.00 32.58 33.56 2af2 s HIS 43 CO 0.27 -0.32 1.21 0.20 -0.85 0.00 0.00 174.74 175.26 2af2 s GLY 44 N 1.97 2.22 -0.27 -2.22 0.00 -1.00 0.07 107.32 108.08 2af2 s GLY 44 Ca -0.03 0.88 -0.02 0.00 0.00 0.00 0.00 44.72 45.55 2af2 s GLY 44 CO -0.09 1.30 0.27 -0.12 0.00 0.00 0.00 173.10 174.45 2af2 s PHE 45 N -2.08 -0.35 -0.05 1.90 5.36 -1.02 -2.73 117.98 119.01 2af2 s PHE 45 Ca 0.74 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.59 2af2 s PHE 45 Cb -0.29 -0.48 0.00 0.00 -0.34 0.00 0.00 43.02 41.91 2af2 s PHE 45 CO 0.49 -0.85 -0.15 -1.01 -1.46 0.00 0.00 175.22 172.25 2af2 s HIS 46 N 2.33 1.58 -0.46 10.12 3.76 -0.77 -1.62 115.29 130.23 2af2 s HIS 46 Ca 0.09 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2af2 s HIS 46 Cb -0.14 -1.10 0.12 0.00 1.11 0.00 0.00 32.58 32.57 2af2 s HIS 46 CO -0.29 -0.21 0.21 0.14 -0.85 0.00 0.00 174.74 173.74 2af2 s VAL 47 N 0.30 2.76 -0.43 -0.90 -7.23 0.11 -0.66 120.40 114.35 2af2 s VAL 47 Ca -0.08 -2.78 -0.28 0.00 -1.81 0.00 0.00 61.98 57.02 2af2 s VAL 47 Cb -0.13 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2af2 s VAL 47 CO 0.03 -0.73 1.50 -1.00 -0.31 0.00 0.00 175.10 174.59 2af2 s HIS 48 N 0.33 2.25 -0.38 2.82 3.76 -1.24 -4.04 115.29 118.78 2af2 s HIS 48 Ca 0.14 0.64 -0.22 0.00 -0.15 0.00 0.00 55.06 55.47 2af2 s HIS 48 Cb -0.22 -4.29 -0.11 0.00 1.11 0.00 0.00 32.58 29.07 2af2 s HIS 48 CO -0.04 -2.17 1.30 -1.91 -0.85 0.00 0.00 174.74 171.07 2af2 n GLU 49 N 8.28 0.00 0.00 1.40 2.13 -1.26 -4.70 120.64 126.48 2af2 n GLU 49 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2af2 n GLU 49 Cb 0.48 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.36 2af2 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2af2 n PHE 50 N 4.76 0.00 0.16 4.31 3.72 -1.26 -4.94 117.46 124.21 2af2 n PHE 50 Ca 0.33 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.74 2af2 n PHE 50 Cb -0.01 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2af2 n GLY 51 N -1.58 -0.64 3.79 1.37 0.00 -1.26 -3.97 105.19 102.90 2af2 n GLY 51 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2af2 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2af2 s ASP 52 N -0.58 6.69 0.00 1.61 2.15 -1.26 -4.52 116.67 120.76 2af2 s ASP 52 Ca 0.04 1.98 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2af2 s ASP 52 Cb 0.03 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2af2 s ASP 52 CO 0.07 -0.54 0.12 -0.46 -0.17 0.00 0.00 175.17 174.19 2af2 n ASN 53 N -0.31 0.00 0.02 -0.34 0.23 -1.26 -4.46 115.26 109.14 2af2 n ASN 53 Ca 0.06 -0.32 0.11 0.00 -0.53 0.00 0.00 54.58 53.90 2af2 n ASN 53 Cb 0.51 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.32 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2af2 n THR 54 N 0.00 0.12 -0.82 5.53 -2.24 -1.26 -3.46 114.28 112.15 2af2 n THR 54 Ca 0.00 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 2af2 n THR 54 Cb 0.16 0.25 0.35 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.68 3.39 -0.72 6.98 0.00 -1.26 -5.04 120.51 122.19 2af2 n ALA 55 Ca 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2af2 n ALA 55 Cb 0.39 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.48 3.41 0.00 0.00 0.00 -1.22 -1.84 105.19 106.02 2af2 n GLY 56 Ca 0.25 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.47 0.52 -1.49 0.00 -1.04 -0.77 -4.75 114.28 105.29 2af2 n THR 58 Ca 0.05 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2af2 n THR 58 Cb 0.20 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 2af2 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2af2 n SER 59 N -2.22 0.00 -3.97 8.00 7.64 -0.83 -4.93 113.62 117.31 2af2 n SER 59 Ca 0.05 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.47 2af2 n SER 59 Cb 0.44 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.00 0.23 -0.73 -0.43 0.00 -1.26 -4.92 120.51 110.41 2af2 n ALA 60 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 2af2 n ALA 60 Cb 0.00 -1.98 0.21 0.00 0.00 0.00 0.00 19.45 17.68 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 6.88 1.59 -0.61 0.00 0.00 -1.26 -4.83 107.32 109.09 2af2 s GLY 61 Ca 1.16 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 45.64 2af2 s GLY 61 CO 0.52 0.63 2.31 2.56 0.00 0.00 0.00 173.10 179.11 2af2 s PRO 62 N -4.62 2.07 -0.99 2.90 0.04 -1.26 -3.96 135.00 129.18 2af2 s PRO 62 Ca 0.67 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 2af2 s PRO 62 Cb -0.23 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2af2 s PRO 62 CO 0.61 -3.51 0.71 -2.39 0.04 0.00 0.00 177.00 172.47 2af2 n HIS 63 N 16.08 -2.07 -0.86 0.56 1.44 -1.26 -4.80 115.22 124.31 2af2 n HIS 63 Ca 0.37 0.63 -0.31 0.00 -2.01 0.00 0.00 57.72 56.40 2af2 n HIS 63 Cb 0.51 -3.28 -0.02 0.00 0.12 0.00 0.00 29.99 27.31 2af2 n HIS 63 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2af2 n PHE 64 N -3.45 -0.15 -2.88 -1.40 3.72 -1.25 -4.60 117.46 107.46 2af2 n PHE 64 Ca -0.14 0.60 -0.37 0.00 -0.05 0.00 0.00 57.45 57.48 2af2 n PHE 64 Cb 0.60 -1.20 -0.00 0.00 -0.94 0.00 0.00 39.48 37.93 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2af2 n ASN 65 N 1.15 6.19 -0.08 4.37 6.94 -1.26 -3.65 115.26 128.92 2af2 n ASN 65 Ca 0.11 -3.59 -0.01 0.00 -0.02 0.00 0.00 54.58 51.07 2af2 n ASN 65 Cb 0.13 -1.02 0.27 0.00 -2.36 0.00 0.00 39.78 36.79 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2af2 h PRO 66 N 4.28 0.71 0.00 -0.53 0.13 -1.98 -0.22 132.00 134.39 2af2 h PRO 66 Ca 0.34 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2af2 h PRO 66 Cb 0.47 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2af2 h PRO 66 CO 1.12 0.61 0.00 -0.11 -0.23 0.00 0.00 178.00 179.39 2af2 n LEU 67 N -4.32 0.00 -2.10 1.56 7.94 -1.26 -4.94 117.00 113.88 2af2 n LEU 67 Ca 0.04 0.26 -0.07 0.00 -1.11 0.00 0.00 56.01 55.12 2af2 n LEU 67 Cb 0.18 -0.26 0.04 0.00 0.53 0.00 0.00 43.42 43.91 2af2 n LEU 67 CO 0.38 -0.03 0.04 -0.24 -1.11 0.00 0.00 177.39 176.44 2af2 n SER 68 N -1.26 -2.39 -4.87 1.96 2.88 -0.09 -5.05 113.62 104.81 2af2 n SER 68 Ca 0.13 -0.28 -0.22 0.00 -1.33 0.00 0.00 58.87 57.17 2af2 n SER 68 Cb 0.20 -2.53 -0.03 0.00 -0.75 0.00 0.00 64.21 61.11 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 -4.41 2.43 0.65 -1.46 0.52 -1.26 -5.13 118.95 110.29 2af2 s ARG 69 Ca 0.04 -1.67 -0.10 0.00 -0.52 0.00 0.00 55.73 53.48 2af2 s ARG 69 Cb -0.00 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 2af2 s ARG 69 CO 0.32 -0.28 1.03 0.15 0.02 0.00 0.00 175.30 176.55 2af2 s LYS 70 N -4.14 3.16 0.55 3.54 1.02 -1.26 -4.94 119.74 117.68 2af2 s LYS 70 Ca 0.45 0.50 -0.18 0.00 0.02 0.00 0.00 55.97 56.76 2af2 s LYS 70 Cb -0.02 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 2af2 s LYS 70 CO 0.26 -0.79 1.08 -1.58 -0.92 0.00 0.00 175.35 173.41 2af2 s HIS 71 N -3.22 2.83 0.00 3.18 5.65 -0.60 -3.74 115.29 119.39 2af2 s HIS 71 Ca 0.56 1.55 0.00 0.00 0.25 0.00 0.00 55.06 57.42 2af2 s HIS 71 Cb -0.11 -3.14 0.00 0.00 -1.18 0.00 0.00 32.58 28.15 2af2 s HIS 71 CO 0.51 -1.26 0.00 0.41 -0.65 0.00 0.00 174.74 173.76 2af2 n GLY 72 N -0.31 -0.14 0.00 1.59 0.00 -1.26 -1.82 105.19 103.25 2af2 n GLY 72 Ca 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.80 0.00 -0.02 0.00 -1.26 -4.23 105.19 100.48 2af2 n GLY 73 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2af2 n PRO 74 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -1.15 135.00 134.18 2af2 n PRO 74 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2af2 n PRO 74 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2af2 n LYS 75 N -0.99 0.00 -4.63 -0.52 2.85 -1.26 -5.12 118.16 108.49 2af2 n LYS 75 Ca 0.00 -0.10 -0.29 0.00 -1.05 0.00 0.00 58.31 56.88 2af2 n LYS 75 Cb 0.07 -0.34 -0.09 0.00 -0.65 0.00 0.00 35.03 34.02 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 3.48 -0.00 -5.58 2.15 -0.30 -5.09 116.67 111.33 2af2 s ASP 76 Ca 0.00 -1.58 0.04 0.00 0.43 0.00 0.00 52.55 51.44 2af2 s ASP 76 Cb 0.00 0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 42.86 2af2 s ASP 76 CO 0.00 -0.78 0.13 1.21 -0.17 0.00 0.00 175.17 175.56 2af2 n GLU 77 N -1.04 3.68 -0.03 4.34 2.13 -1.26 -4.53 120.64 123.93 2af2 n GLU 77 Ca -0.11 -0.01 -0.02 0.00 0.66 0.00 0.00 57.16 57.67 2af2 n GLU 77 Cb 0.66 -0.83 -0.01 0.00 0.27 0.00 0.00 31.44 31.54 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2af2 n GLU 78 N -1.29 0.22 -3.16 5.31 -0.58 -1.26 -5.01 120.64 114.87 2af2 n GLU 78 Ca 0.00 0.34 -0.16 0.00 -0.42 0.00 0.00 57.16 56.92 2af2 n GLU 78 Cb 0.07 -1.15 0.01 0.00 -0.57 0.00 0.00 31.44 29.80 2af2 n GLU 78 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2af2 n ARG 79 N -3.37 -1.99 -1.24 3.49 0.63 -1.25 -4.89 116.66 108.05 2af2 n ARG 79 Ca -0.04 1.69 -0.37 0.00 -0.92 0.00 0.00 57.85 58.21 2af2 n ARG 79 Cb 0.14 -4.42 0.05 0.00 0.45 0.00 0.00 32.46 28.68 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2af2 n HIS 80 N -0.79 -1.85 -0.33 -0.14 8.25 -1.25 -4.77 115.22 114.34 2af2 n HIS 80 Ca -0.00 0.34 0.24 0.00 -0.26 0.00 0.00 57.72 58.03 2af2 n HIS 80 Cb 0.55 -1.80 0.47 0.00 1.12 0.00 0.00 29.99 30.33 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 -0.31 0.25 -0.85 1.59 3.04 -1.85 -0.80 116.25 117.30 2af2 h VAL 81 Ca -0.44 -0.09 -0.50 0.00 -1.01 0.00 0.00 66.70 64.66 2af2 h VAL 81 Cb 1.37 -0.03 -0.26 0.00 -2.01 0.00 0.00 31.29 30.36 2af2 h VAL 81 CO 0.40 0.05 0.64 0.61 -1.01 0.00 0.00 177.57 178.26 2af2 n GLY 82 N -1.30 4.66 3.34 3.17 0.00 -1.26 -4.81 105.19 108.99 2af2 n GLY 82 Ca 0.32 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.09 3.92 -0.47 1.61 1.01 -0.31 0.07 116.67 121.40 2af2 s ASP 83 Ca 0.52 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 53.46 2af2 s ASP 83 Cb 0.42 -1.60 0.39 0.00 1.01 0.00 0.00 42.92 43.14 2af2 s ASP 83 CO 0.05 0.13 1.03 0.18 0.21 0.00 0.00 175.17 176.77 2af2 n LEU 84 N 3.74 4.22 0.00 1.23 4.77 -0.64 -4.86 117.00 125.46 2af2 n LEU 84 Ca -0.18 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.54 2af2 n LEU 84 Cb 0.52 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2af2 n LEU 84 CO 0.30 2.23 0.00 0.61 -1.33 0.00 0.00 177.39 179.20 2af2 n GLY 85 N -0.34 3.12 3.11 -0.72 0.00 -1.25 -4.76 105.19 104.35 2af2 n GLY 85 Ca 0.33 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2af2 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 86 N -4.00 0.19 -0.40 1.61 2.20 -1.26 -2.44 114.94 110.84 2af2 s ASN 86 Ca 0.00 -0.55 -0.06 0.00 -0.94 0.00 0.00 52.86 51.31 2af2 s ASN 86 Cb 0.00 0.22 0.08 0.00 -2.00 0.00 0.00 41.25 39.56 2af2 s ASN 86 CO 0.00 -0.50 0.20 0.68 -2.94 0.00 0.00 177.10 174.54 2af2 s VAL 87 N -2.62 3.74 -0.18 3.54 -7.23 0.11 -4.86 120.40 112.90 2af2 s VAL 87 Ca -0.05 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 2af2 s VAL 87 Cb -0.01 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 2af2 s VAL 87 CO -0.05 -0.51 0.51 -0.89 -0.31 0.00 0.00 175.10 173.86 2af2 s THR 88 N 1.31 5.12 0.17 5.32 2.01 -1.26 -1.67 115.64 126.65 2af2 s THR 88 Ca 0.03 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.03 2af2 s THR 88 Cb -0.22 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2af2 s THR 88 CO -0.00 0.21 0.25 0.00 -0.69 0.00 0.00 174.62 174.38 2af2 s ALA 89 N 1.42 3.83 0.69 7.40 0.00 0.34 -3.94 121.76 131.49 2af2 s ALA 89 Ca 0.25 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2af2 s ALA 89 Cb -0.15 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.37 2af2 s ALA 89 CO 0.10 0.46 1.04 0.34 0.00 0.00 0.00 175.76 177.70 2af2 s ASP 90 N -3.35 5.24 0.61 0.00 2.15 -0.25 -1.14 116.67 119.94 2af2 s ASP 90 Ca 0.33 0.83 0.28 0.00 0.43 0.00 0.00 52.55 54.43 2af2 s ASP 90 Cb -0.10 -1.62 1.42 0.00 -0.30 0.00 0.00 42.92 42.32 2af2 s ASP 90 CO 0.27 -1.38 1.83 0.07 -0.17 0.00 0.00 175.17 175.78 2af2 h LYS 91 N -0.56 0.00 0.00 4.34 2.10 -1.93 0.16 116.57 120.69 2af2 h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2af2 h LYS 91 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2af2 h LYS 91 CO 0.63 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.61 2af2 n ASP 92 N -3.41 0.00 0.00 7.07 2.03 -1.26 -4.83 116.55 116.15 2af2 n ASP 92 Ca 0.06 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.63 2af2 n ASP 92 Cb 0.66 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.70 0.51 3.65 0.27 0.00 0.57 -4.66 105.19 106.24 2af2 n GLY 93 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.25 5.20 -0.08 1.61 0.11 -1.25 -1.00 120.40 122.75 2af2 s VAL 94 Ca 0.00 0.63 -0.15 0.00 -2.93 0.00 0.00 61.98 59.52 2af2 s VAL 94 Cb 0.00 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2af2 s VAL 94 CO 0.00 0.23 0.39 0.00 -3.33 0.00 0.00 175.10 172.39 2af2 s ALA 95 N 1.52 3.61 0.45 1.54 0.00 0.03 -1.09 121.76 127.82 2af2 s ALA 95 Ca 0.17 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 2af2 s ALA 95 Cb -0.15 -2.45 -0.10 0.00 0.00 0.00 0.00 23.12 20.42 2af2 s ALA 95 CO 0.08 0.24 0.97 0.34 0.00 0.00 0.00 175.76 177.39 2af2 s ASP 96 N -0.17 6.81 -0.09 0.00 2.15 -1.25 -1.24 116.67 122.87 2af2 s ASP 96 Ca 0.22 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.91 2af2 s ASP 96 Cb -0.15 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 2af2 s ASP 96 CO 0.10 -0.45 -0.07 -0.69 -0.17 0.00 0.00 175.17 173.89 2af2 s VAL 97 N -2.21 0.85 -0.43 1.11 1.01 0.32 -4.61 120.40 116.44 2af2 s VAL 97 Ca 0.62 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.45 2af2 s VAL 97 Cb -0.10 -0.88 0.24 0.00 0.00 0.00 0.00 36.38 35.64 2af2 s VAL 97 CO 0.16 0.32 0.64 -1.20 0.00 0.00 0.00 175.10 175.02 2af2 n SER 98 N 4.64 -0.99 -4.50 3.32 7.64 -1.26 -1.12 113.62 121.36 2af2 n SER 98 Ca -0.15 -2.88 -0.28 0.00 1.01 0.00 0.00 58.87 56.57 2af2 n SER 98 Cb 0.50 0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.84 2af2 n SER 98 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2af2 s ILE 99 N -0.43 2.86 -0.08 0.44 1.01 0.49 -5.01 121.20 120.48 2af2 s ILE 99 Ca 0.34 -1.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.26 2af2 s ILE 99 Cb 0.18 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 40.31 2af2 s ILE 99 CO -0.16 -0.02 0.20 -0.70 0.00 0.00 0.00 174.94 174.27 2af2 s GLU 100 N -2.49 0.21 -0.19 2.79 2.12 -1.26 0.25 118.70 120.14 2af2 s GLU 100 Ca 0.21 0.33 -0.17 0.00 0.36 0.00 0.00 54.97 55.69 2af2 s GLU 100 Cb -0.09 0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.39 2af2 s GLU 100 CO 0.12 -0.06 0.51 0.34 -0.54 0.00 0.00 175.26 175.63 2af2 s ASP 101 N 0.41 -0.54 -0.53 -1.70 2.15 -0.30 -5.00 116.67 111.15 2af2 s ASP 101 Ca -0.03 1.04 0.04 0.00 0.43 0.00 0.00 52.55 54.03 2af2 s ASP 101 Cb -0.04 1.04 0.40 0.00 -0.30 0.00 0.00 42.92 44.02 2af2 s ASP 101 CO -0.02 -0.18 1.24 -1.54 -0.17 0.00 0.00 175.17 174.50 2af2 n SER 102 N 2.89 5.16 0.00 -0.34 3.41 -1.26 -0.60 113.62 122.88 2af2 n SER 102 Ca -0.14 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.74 2af2 n SER 102 Cb 0.56 -0.58 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 0.52 -0.16 0.00 0.00 175.04 175.40 2af2 n VAL 103 N -0.45 0.00 -3.07 -3.33 0.31 -1.26 -4.96 118.33 105.58 2af2 n VAL 103 Ca 0.40 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.54 2af2 n VAL 103 Cb 0.55 -0.91 0.05 0.00 -0.91 0.00 0.00 33.84 32.62 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2af2 s ILE 104 N -1.91 2.32 0.35 2.52 -0.00 -1.26 -5.14 121.20 118.07 2af2 s ILE 104 Ca 0.00 -1.02 -0.15 0.00 -0.00 0.00 0.00 60.65 59.48 2af2 s ILE 104 Cb 0.00 -2.34 0.04 0.00 -0.00 0.00 0.00 42.46 40.15 2af2 s ILE 104 CO 0.00 0.00 0.71 -0.44 -0.00 0.00 0.00 174.94 175.21 2af2 s SER 105 N -4.58 0.05 -0.69 4.36 0.01 -1.26 -4.55 113.70 107.04 2af2 s SER 105 Ca 0.59 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2af2 s SER 105 Cb -0.06 0.78 0.37 0.00 0.21 0.00 0.00 66.02 67.32 2af2 s SER 105 CO 0.37 -1.52 1.54 0.18 0.41 0.00 0.00 173.24 174.22 2af2 n LEU 106 N -0.51 6.13 -1.00 2.44 4.32 -1.26 -0.82 117.00 126.30 2af2 n LEU 106 Ca -0.06 -5.14 0.06 0.00 -0.02 0.00 0.00 56.01 50.85 2af2 n LEU 106 Cb 0.60 -0.80 0.21 0.00 -1.62 0.00 0.00 43.42 41.81 2af2 n LEU 106 CO 0.24 2.04 0.63 -0.24 -1.22 0.00 0.00 177.39 178.84 2af2 n SER 107 N -0.43 2.87 0.00 -1.43 2.88 -1.26 -4.82 113.62 111.43 2af2 n SER 107 Ca 0.45 -2.23 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 2af2 n SER 107 Cb 0.41 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.82 0.83 0.18 0.46 0.00 -1.26 -4.74 105.19 101.48 2af2 n GLY 108 Ca 0.15 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 2af2 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2af2 h ASP 109 N 0.00 -0.36 -0.30 1.61 3.58 -1.95 -2.80 116.42 116.20 2af2 h ASP 109 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2af2 h ASP 109 Cb 0.00 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2af2 h ASP 109 CO 0.00 -0.23 0.00 1.41 -2.88 0.00 0.00 179.24 177.54 2af2 n HIS 110 N -5.26 0.40 -3.03 0.28 8.25 -1.26 -4.75 115.22 109.85 2af2 n HIS 110 Ca -0.09 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 2af2 n HIS 110 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 0.40 1.82 -0.45 0.41 2.88 -1.05 -4.99 113.62 112.64 2af2 n SER 111 Ca 0.11 -0.12 0.13 0.00 -1.33 0.00 0.00 58.87 57.66 2af2 n SER 111 Cb 0.27 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.25 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 -0.01 0.05 -2.21 2.46 -5.35 -0.00 -4.56 119.36 109.73 2af2 n ILE 112 Ca 0.00 -0.25 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 2af2 n ILE 112 Cb 0.00 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.25 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 -1.95 3.29 0.00 7.28 -1.09 -1.26 -2.13 121.20 125.34 2af2 s ILE 113 Ca 0.37 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 2af2 s ILE 113 Cb 0.20 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2af2 s ILE 113 CO 0.32 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 2af2 n GLY 114 N 2.79 2.52 3.65 6.18 0.00 -0.58 -4.76 105.19 114.99 2af2 n GLY 114 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2af2 n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2af2 s ARG 115 N -0.21 -0.92 -0.02 1.61 6.06 -0.91 -4.28 118.95 120.28 2af2 s ARG 115 Ca 0.00 -0.13 -0.00 0.00 -2.50 0.00 0.00 55.73 53.10 2af2 s ARG 115 Cb 0.00 -1.64 0.03 0.00 0.06 0.00 0.00 34.95 33.40 2af2 s ARG 115 CO 0.00 -3.50 0.04 0.99 -2.50 0.00 0.00 175.30 170.33 2af2 s THR 116 N -3.16 -0.05 0.07 4.11 2.01 -1.26 0.05 115.64 117.41 2af2 s THR 116 Ca 0.71 0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.68 2af2 s THR 116 Cb -0.09 -0.09 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 2af2 s THR 116 CO 0.55 0.07 0.66 -0.22 -0.69 0.00 0.00 174.62 174.99 2af2 s LEU 117 N 0.92 4.50 -0.16 4.42 1.98 -1.11 -3.73 118.68 125.51 2af2 s LEU 117 Ca -0.08 1.36 0.01 0.00 -2.89 0.00 0.00 54.13 52.53 2af2 s LEU 117 Cb -0.11 -3.05 0.00 0.00 0.66 0.00 0.00 46.19 43.70 2af2 s LEU 117 CO -0.03 0.17 -0.17 0.54 -1.89 0.00 0.00 176.35 174.97 2af2 s VAL 118 N -0.71 2.48 -0.02 1.68 0.11 0.17 -3.12 120.40 120.99 2af2 s VAL 118 Ca 0.33 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.52 2af2 s VAL 118 Cb -0.20 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 2af2 s VAL 118 CO 0.21 0.52 0.14 0.54 -3.33 0.00 0.00 175.10 173.19 2af2 s VAL 119 N 0.89 5.21 0.30 2.04 0.11 -0.71 -1.84 120.40 126.41 2af2 s VAL 119 Ca -0.04 -0.20 0.10 0.00 -2.93 0.00 0.00 61.98 58.92 2af2 s VAL 119 Cb -0.15 -3.40 -0.05 0.00 -1.53 0.00 0.00 36.38 31.25 2af2 s VAL 119 CO -0.02 0.37 -0.09 -1.00 -3.33 0.00 0.00 175.10 171.03 2af2 s HIS 120 N -1.25 2.46 0.22 1.54 3.76 -1.10 -0.78 115.29 120.14 2af2 s HIS 120 Ca 0.24 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 2af2 s HIS 120 Cb -0.12 -1.21 0.20 0.00 1.11 0.00 0.00 32.58 32.56 2af2 s HIS 120 CO 0.15 0.62 1.54 1.05 -0.85 0.00 0.00 174.74 177.26 2af2 h GLU 121 N 2.03 0.37 -6.40 1.40 -0.00 -1.44 -3.38 114.58 107.17 2af2 h GLU 121 Ca -0.42 -0.24 -0.51 0.00 -0.00 0.00 0.00 59.36 58.18 2af2 h GLU 121 Cb 1.25 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.03 2af2 h GLU 121 CO 0.63 0.85 -0.22 0.21 -0.00 0.00 0.00 179.01 180.47 2af2 s LYS 122 N -3.87 3.55 0.39 1.06 2.20 -0.93 -4.84 119.74 117.30 2af2 s LYS 122 Ca -0.05 -0.21 -0.25 0.00 -0.36 0.00 0.00 55.97 55.09 2af2 s LYS 122 Cb 0.12 -2.72 -0.11 0.00 -1.51 0.00 0.00 37.83 33.60 2af2 s LYS 122 CO 0.82 0.27 1.04 0.00 -0.36 0.00 0.00 175.35 177.11 2af2 n ALA 123 N -1.06 0.24 -2.71 3.13 0.00 -1.00 -2.39 120.51 116.73 2af2 n ALA 123 Ca -0.04 0.28 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 2af2 n ALA 123 Cb 0.54 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.65 6.56 0.45 0.00 -1.08 -1.26 -4.50 116.67 116.19 2af2 s ASP 124 Ca 0.61 0.66 0.26 0.00 -0.52 0.00 0.00 52.55 53.56 2af2 s ASP 124 Cb -0.58 -2.25 0.77 0.00 -1.46 0.00 0.00 42.92 39.40 2af2 s ASP 124 CO 0.58 -0.01 1.76 0.44 0.52 0.00 0.00 175.17 178.47 2af2 h ASP 125 N 6.90 0.00 -6.43 -0.34 5.19 -1.54 -3.48 116.42 116.72 2af2 h ASP 125 Ca -0.39 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.53 2af2 h ASP 125 Cb 1.17 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.70 2af2 h ASP 125 CO 0.75 0.12 -0.93 0.18 -3.12 0.00 0.00 179.24 176.24 2af2 n LEU 126 N -3.19 -2.24 0.00 1.55 4.77 -1.26 -3.58 117.00 113.05 2af2 n LEU 126 Ca 0.02 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2af2 n LEU 126 Cb 0.46 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 2af2 n LEU 126 CO 0.33 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2af2 n GLY 127 N -1.86 2.82 2.65 -0.72 0.00 -0.76 -4.52 105.19 102.80 2af2 n GLY 127 Ca -0.17 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 1.50 0.00 1.61 4.81 -1.23 -2.24 118.16 122.61 2af2 n LYS 128 Ca 0.00 -4.13 0.00 0.00 -0.87 0.00 0.00 58.31 53.31 2af2 n LYS 128 Cb 0.00 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 1.92 1.86 0.00 3.14 0.00 -1.26 -5.02 105.19 105.82 2af2 n GLY 129 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 3.52 -0.71 2.94 -0.02 0.00 -1.26 -5.11 105.19 104.54 2af2 n GLY 130 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2af2 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2af2 n ASN 131 N 0.00 -1.73 0.03 1.61 0.23 -1.26 -5.08 115.26 109.06 2af2 n ASN 131 Ca 0.00 -2.17 -0.10 0.00 -0.53 0.00 0.00 54.58 51.78 2af2 n ASN 131 Cb 0.46 2.88 -0.04 0.00 -2.08 0.00 0.00 39.78 41.00 2af2 n ASN 131 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2af2 h GLU 132 N 0.00 -0.20 -0.02 -3.83 4.81 -2.01 -3.04 114.58 110.28 2af2 h GLU 132 Ca -0.25 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2af2 h GLU 132 Cb 0.96 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2af2 h GLU 132 CO 0.32 -0.13 0.04 0.93 -0.73 0.00 0.00 179.01 179.44 2af2 h GLU 133 N -0.20 0.00 -0.27 1.92 4.39 -1.98 -0.39 114.58 118.06 2af2 h GLU 133 Ca 0.07 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.84 2af2 h GLU 133 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2af2 h GLU 133 CO -0.18 0.00 0.20 0.77 -1.16 0.00 0.00 179.01 178.64 2af2 h SER 134 N 0.00 0.00 0.00 1.42 0.02 -1.79 0.92 113.55 114.12 2af2 h SER 134 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2af2 h SER 134 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2af2 h SER 134 CO -0.00 0.00 -1.50 1.07 -1.14 0.00 0.00 176.83 175.26 2af2 n THR 135 N -4.35 0.00 0.00 -2.27 5.66 -0.17 -1.83 114.28 111.32 2af2 n THR 135 Ca 0.03 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2af2 n THR 135 Cb 0.36 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 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 -1.88 0.00 0.04 1.09 5.02 -0.87 -1.56 118.16 119.99 2af2 n LYS 136 Ca -0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2af2 n LYS 136 Cb 0.45 -0.16 0.43 0.00 -0.02 0.00 0.00 35.03 35.73 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 -0.38 0.70 -0.73 -0.18 -2.24 -0.63 -4.62 114.28 106.20 2af2 n THR 137 Ca 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2af2 n THR 137 Cb 0.00 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.47 0.66 2.09 3.38 0.00 -0.17 -3.41 105.19 108.20 2af2 n GLY 138 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.59 0.06 1.61 2.85 0.14 -1.41 115.26 114.92 2af2 n ASN 139 Ca 0.00 0.30 0.06 0.00 -0.11 0.00 0.00 54.58 54.82 2af2 n ASN 139 Cb 0.00 -3.29 0.27 0.00 1.24 0.00 0.00 39.78 38.00 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2af2 n ALA 140 N -0.02 1.21 0.00 5.20 0.00 -1.22 -4.87 120.51 120.81 2af2 n ALA 140 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2af2 n ALA 140 Cb 0.47 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.00 -1.13 3.76 0.00 0.00 -1.26 -2.19 105.19 103.36 2af2 n GLY 141 Ca 0.01 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 2af2 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2af2 s SER 142 N -4.00 4.88 -0.02 1.61 0.01 -1.26 -4.79 113.70 110.13 2af2 s SER 142 Ca 0.00 2.08 -0.28 0.00 1.31 0.00 0.00 55.95 59.06 2af2 s SER 142 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2af2 s SER 142 CO 0.00 -1.79 0.91 -0.13 0.41 0.00 0.00 173.24 172.64 2af2 s ARG 143 N -4.05 4.53 -0.08 12.44 3.00 -1.26 -1.60 118.95 131.93 2af2 s ARG 143 Ca 0.69 1.29 -0.09 0.00 0.00 0.00 0.00 55.73 57.61 2af2 s ARG 143 Cb -0.22 -3.46 -0.03 0.00 0.00 0.00 0.00 34.95 31.24 2af2 s ARG 143 CO 0.42 -0.03 -0.17 -0.11 0.00 0.00 0.00 175.30 175.41 2af2 n LEU 144 N 3.90 1.05 -4.00 2.53 0.00 0.04 -4.84 117.00 115.68 2af2 n LEU 144 Ca 0.04 0.17 -0.10 0.00 0.00 0.00 0.00 56.01 56.12 2af2 n LEU 144 Cb 0.51 -0.57 -0.11 0.00 0.00 0.00 0.00 43.42 43.25 2af2 n LEU 144 CO 0.51 -0.41 -0.37 0.00 0.00 0.00 0.00 177.39 177.11 2af2 s ALA 145 N -2.80 0.26 0.02 1.96 0.00 -1.14 -4.29 121.76 115.77 2af2 s ALA 145 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2af2 s ALA 145 Cb 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2af2 s ALA 145 CO 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 175.76 175.84 2af2 s GLY 147 N -1.00 -0.52 -0.05 0.00 0.00 -1.18 -1.54 107.32 103.03 2af2 s GLY 147 Ca -0.10 1.73 -0.16 0.00 0.00 0.00 0.00 44.72 46.19 2af2 s GLY 147 CO -0.00 1.44 0.44 0.14 0.00 0.00 0.00 173.10 175.11 2af2 s VAL 148 N -0.10 5.09 -0.30 1.40 1.01 -1.26 -2.74 120.40 123.50 2af2 s VAL 148 Ca -0.03 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 2af2 s VAL 148 Cb -0.04 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2af2 s VAL 148 CO 0.03 0.46 1.21 -0.63 0.00 0.00 0.00 175.10 176.17 2af2 s ILE 149 N -0.30 4.30 0.24 2.22 -1.09 0.11 -4.76 121.20 121.91 2af2 s ILE 149 Ca 0.24 1.48 0.10 0.00 -2.23 0.00 0.00 60.65 60.25 2af2 s ILE 149 Cb -0.16 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2af2 s ILE 149 CO 0.12 -0.47 -0.11 -0.83 -1.23 0.00 0.00 174.94 172.42 2af2 s GLY 150 N 2.28 1.75 0.16 6.18 0.00 -0.84 -1.53 107.32 115.32 2af2 s GLY 150 Ca 0.52 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.26 2af2 s GLY 150 CO 0.20 -1.73 1.12 -0.26 0.00 0.00 0.00 173.10 172.42 2af2 s ILE 151 N -2.17 3.87 0.29 0.90 -5.25 -1.26 -1.02 121.20 116.56 2af2 s ILE 151 Ca 0.28 1.57 -0.08 0.00 -0.99 0.00 0.00 60.65 61.43 2af2 s ILE 151 Cb -0.07 -4.00 0.03 0.00 2.95 0.00 0.00 42.46 41.37 2af2 s ILE 151 CO 0.16 0.25 0.52 0.00 -1.79 0.00 0.00 174.94 174.09 2af2 n ALA 152 N 2.58 -1.01 -1.56 2.27 0.00 -1.26 -4.84 120.51 116.70 2af2 n ALA 152 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2af2 n ALA 152 Cb 0.46 0.82 0.00 0.00 0.00 0.00 0.00 19.45 20.73 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44