#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 -0.00 0.09 0.00 -1.32 -0.91 -4.98 115.64 108.52 2af2 s THR 2 Ca 0.00 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 2af2 s THR 2 Cb 0.00 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.95 2af2 s THR 2 CO 0.00 0.00 0.39 -1.59 -2.21 0.00 0.00 174.62 171.21 2af2 s LYS 3 N 1.31 3.73 0.43 7.08 -2.85 -0.28 -1.16 119.74 128.00 2af2 s LYS 3 Ca -0.07 0.12 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 2af2 s LYS 3 Cb -0.05 -2.97 -0.01 0.00 -2.06 0.00 0.00 37.83 32.74 2af2 s LYS 3 CO -0.14 0.55 0.64 0.00 0.10 0.00 0.00 175.35 176.49 2af2 s ALA 4 N -1.43 3.83 0.33 0.59 0.00 -0.49 -0.67 121.76 123.91 2af2 s ALA 4 Ca 0.34 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 51.27 2af2 s ALA 4 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2af2 s ALA 4 CO 0.19 -0.31 0.10 0.54 0.00 0.00 0.00 175.76 176.27 2af2 s VAL 5 N -2.49 3.04 -0.44 0.00 0.11 -0.38 -1.45 120.40 118.79 2af2 s VAL 5 Ca 0.48 -1.77 0.05 0.00 -2.93 0.00 0.00 61.98 57.81 2af2 s VAL 5 Cb -0.10 -2.94 0.17 0.00 -1.53 0.00 0.00 36.38 31.99 2af2 s VAL 5 CO 0.37 -0.22 0.48 0.00 -3.33 0.00 0.00 175.10 172.40 2af2 s ALA 6 N -2.42 -0.02 -1.02 1.54 0.00 -0.08 -3.76 121.76 116.01 2af2 s ALA 6 Ca 0.36 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.51 2af2 s ALA 6 Cb -0.03 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.09 2af2 s ALA 6 CO 0.22 -2.08 1.59 0.08 0.00 0.00 0.00 175.76 175.56 2af2 s VAL 7 N 0.50 3.82 0.27 0.00 1.01 -1.26 -2.27 120.40 122.47 2af2 s VAL 7 Ca 0.30 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2af2 s VAL 7 Cb 0.00 -4.82 -0.09 0.00 0.00 0.00 0.00 36.38 31.47 2af2 s VAL 7 CO -0.13 -1.70 0.96 -0.76 0.00 0.00 0.00 175.10 173.48 2af2 s LEU 8 N 6.22 4.53 0.34 3.92 1.02 -0.28 -4.60 118.68 129.83 2af2 s LEU 8 Ca 0.52 1.96 -0.13 0.00 0.02 0.00 0.00 54.13 56.51 2af2 s LEU 8 Cb -0.01 -3.75 0.03 0.00 0.02 0.00 0.00 46.19 42.47 2af2 s LEU 8 CO -0.06 0.03 0.65 -0.75 0.02 0.00 0.00 176.35 176.24 2af2 s LYS 9 N -1.51 1.98 0.00 1.70 2.20 -0.30 -1.29 119.74 122.50 2af2 s LYS 9 Ca 0.45 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 2af2 s LYS 9 Cb -0.24 0.55 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2af2 s LYS 9 CO 0.30 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2af2 n GLY 10 N -0.51 -1.26 3.57 5.54 0.00 -1.26 -1.47 105.19 109.80 2af2 n GLY 10 Ca -0.04 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.00 6.35 0.16 1.61 1.01 -1.26 -4.92 116.67 115.63 2af2 s ASP 11 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 52.55 51.65 2af2 s ASP 11 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2af2 s ASP 11 CO 0.00 -1.65 0.00 0.61 0.21 0.00 0.00 175.17 174.34 2af2 n GLY 12 N 6.48 0.55 0.00 0.21 0.00 -1.26 -0.42 105.19 110.75 2af2 n GLY 12 Ca 0.38 0.69 0.14 0.00 0.00 0.00 0.00 46.02 47.23 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 0.70 -2.70 1.61 -0.04 -1.26 -4.82 135.00 128.50 2af2 n PRO 13 Ca 0.00 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2af2 n PRO 13 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.23 4.04 0.24 0.52 1.01 0.44 -4.46 120.40 119.95 2af2 s VAL 14 Ca 0.37 1.98 -0.09 0.00 0.00 0.00 0.00 61.98 64.24 2af2 s VAL 14 Cb 0.20 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2af2 s VAL 14 CO 0.37 0.45 0.39 -1.10 0.00 0.00 0.00 175.10 175.21 2af2 s GLN 15 N -1.02 1.48 0.13 2.72 1.11 -0.42 -4.44 119.66 119.22 2af2 s GLN 15 Ca 0.43 -1.38 -0.09 0.00 0.01 0.00 0.00 55.36 54.33 2af2 s GLN 15 Cb -0.27 0.42 -0.00 0.00 -1.01 0.00 0.00 33.01 32.15 2af2 s GLN 15 CO 0.33 -0.59 0.25 0.20 0.01 0.00 0.00 175.29 175.49 2af2 s GLY 16 N -3.07 0.28 -0.50 3.09 0.00 -0.41 -0.83 107.32 105.89 2af2 s GLY 16 Ca 0.27 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 44.32 2af2 s GLY 16 CO 0.10 -0.80 0.66 -1.50 0.00 0.00 0.00 173.10 171.57 2af2 s ILE 17 N -3.91 -0.79 -0.02 0.90 1.10 0.68 -1.13 121.20 118.03 2af2 s ILE 17 Ca 0.11 -1.19 -0.06 0.00 -0.51 0.00 0.00 60.65 59.00 2af2 s ILE 17 Cb 0.04 -0.19 -0.04 0.00 0.15 0.00 0.00 42.46 42.41 2af2 s ILE 17 CO -0.05 -0.19 0.23 -0.63 -2.11 0.00 0.00 174.94 172.19 2af2 s ILE 18 N 0.81 5.36 0.10 2.00 -1.09 -0.96 -1.33 121.20 126.09 2af2 s ILE 18 Ca 0.29 0.12 0.08 0.00 -2.23 0.00 0.00 60.65 58.91 2af2 s ILE 18 Cb 0.00 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 2af2 s ILE 18 CO -0.07 0.41 -0.14 0.20 -1.23 0.00 0.00 174.94 174.10 2af2 s ASN 19 N -1.61 4.11 -0.41 3.58 0.01 0.11 -0.90 114.94 119.83 2af2 s ASN 19 Ca 0.25 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 2af2 s ASN 19 Cb -0.13 -0.69 0.17 0.00 0.41 0.00 0.00 41.25 41.00 2af2 s ASN 19 CO 0.14 0.19 0.35 -0.36 -1.51 0.00 0.00 177.10 175.92 2af2 s PHE 20 N -1.13 0.76 0.02 2.20 0.40 -0.53 -1.73 117.98 117.98 2af2 s PHE 20 Ca 0.19 -2.02 -0.30 0.00 -0.60 0.00 0.00 56.93 54.20 2af2 s PHE 20 Cb -0.11 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 2af2 s PHE 20 CO 0.11 -0.87 1.02 -1.83 0.70 0.00 0.00 175.22 174.34 2af2 s GLU 21 N 0.35 4.55 0.20 0.44 -1.05 -0.02 -1.40 118.70 121.77 2af2 s GLU 21 Ca 0.30 1.49 0.10 0.00 -0.15 0.00 0.00 54.97 56.70 2af2 s GLU 21 Cb -0.02 -3.43 -0.04 0.00 -0.44 0.00 0.00 34.13 30.20 2af2 s GLU 21 CO -0.15 -0.06 -0.15 1.14 0.95 0.00 0.00 175.26 177.00 2af2 s GLN 22 N 0.90 1.84 -0.20 -4.83 1.03 -0.31 -2.01 119.66 116.08 2af2 s GLN 22 Ca 0.53 -1.42 -0.15 0.00 0.04 0.00 0.00 55.36 54.35 2af2 s GLN 22 Cb -0.23 -2.01 -0.08 0.00 0.03 0.00 0.00 33.01 30.73 2af2 s GLN 22 CO 0.29 0.41 -0.33 0.36 -2.54 0.00 0.00 175.29 173.47 2af2 n LYS 23 N -0.01 0.52 -4.04 9.60 0.00 -1.26 -0.83 118.16 122.14 2af2 n LYS 23 Ca -0.10 0.21 -0.09 0.00 -0.00 0.00 0.00 58.31 58.33 2af2 n LYS 23 Cb 0.56 -1.39 -0.11 0.00 -0.00 0.00 0.00 35.03 34.09 2af2 n LYS 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2af2 s GLU 24 N -2.70 0.47 0.50 -1.58 1.03 -1.26 -0.02 118.70 115.13 2af2 s GLU 24 Ca -0.31 -0.85 0.14 0.00 0.03 0.00 0.00 54.97 53.98 2af2 s GLU 24 Cb 0.08 0.03 0.77 0.00 -0.80 0.00 0.00 34.13 34.21 2af2 s GLU 24 CO 0.42 -0.04 1.36 0.77 -1.33 0.00 0.00 175.26 176.44 2af2 h SER 25 N 4.11 0.00 -0.00 0.83 0.02 -1.96 -0.40 113.55 116.15 2af2 h SER 25 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2af2 h SER 25 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2af2 h SER 25 CO 0.49 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.72 2af2 n ASN 26 N -2.36 1.17 -4.24 3.07 0.23 -1.26 -4.67 115.26 107.20 2af2 n ASN 26 Ca -0.01 -1.11 -0.29 0.00 -0.53 0.00 0.00 54.58 52.64 2af2 n ASN 26 Cb 0.53 -0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.40 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2af2 s GLY 27 N -0.16 1.77 1.05 4.83 0.00 -0.16 -4.97 107.32 109.68 2af2 s GLY 27 Ca 0.02 -1.22 -0.17 0.00 0.00 0.00 0.00 44.72 43.35 2af2 s GLY 27 CO 0.02 -0.49 1.23 2.56 0.00 0.00 0.00 173.10 176.42 2af2 s PRO 28 N -5.79 -0.04 -0.05 2.90 0.04 -1.26 -4.43 135.00 126.37 2af2 s PRO 28 Ca 0.72 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.54 2af2 s PRO 28 Cb -0.04 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.75 2af2 s PRO 28 CO 0.52 -2.89 -0.13 0.08 0.04 0.00 0.00 177.00 174.62 2af2 s VAL 29 N -3.53 1.12 -0.23 -0.36 1.01 -0.33 -4.25 120.40 113.84 2af2 s VAL 29 Ca 0.72 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 2af2 s VAL 29 Cb -0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2af2 s VAL 29 CO 0.54 0.34 0.50 -0.75 0.00 0.00 0.00 175.10 175.73 2af2 s LYS 30 N 0.40 4.13 -0.20 2.72 2.20 -0.85 -1.37 119.74 126.77 2af2 s LYS 30 Ca -0.09 0.34 -0.08 0.00 -0.36 0.00 0.00 55.97 55.78 2af2 s LYS 30 Cb -0.13 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2af2 s LYS 30 CO 0.03 -0.23 0.08 0.08 -0.36 0.00 0.00 175.35 174.95 2af2 s VAL 31 N 1.90 4.81 0.06 4.02 1.01 0.14 -0.84 120.40 131.50 2af2 s VAL 31 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2af2 s VAL 31 Cb -0.15 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2af2 s VAL 31 CO 0.09 0.43 0.13 -1.66 0.00 0.00 0.00 175.10 174.09 2af2 s TRP 32 N 0.62 0.21 0.00 5.22 -2.14 -0.71 -0.49 118.94 121.66 2af2 s TRP 32 Ca 0.04 -0.59 0.00 0.00 2.66 0.00 0.00 56.10 58.21 2af2 s TRP 32 Cb -0.13 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.11 2af2 s TRP 32 CO 0.01 -0.45 0.00 0.41 -2.66 0.00 0.00 176.95 174.27 2af2 n GLY 33 N 0.32 1.15 3.32 3.67 0.00 -0.50 0.09 105.19 113.23 2af2 n GLY 33 Ca -0.17 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.51 2af2 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2af2 s SER 34 N 0.00 2.40 -0.12 1.61 0.01 -0.44 0.06 113.70 117.21 2af2 s SER 34 Ca 0.00 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.29 2af2 s SER 34 Cb 0.00 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.13 2af2 s SER 34 CO 0.00 -0.19 -0.17 -0.63 0.41 0.00 0.00 173.24 172.67 2af2 s ILE 35 N -2.90 1.66 -0.03 1.44 -1.09 0.27 -0.23 121.20 120.32 2af2 s ILE 35 Ca 0.20 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 2af2 s ILE 35 Cb -0.01 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 2af2 s ILE 35 CO 0.05 0.47 -0.11 -0.75 -1.23 0.00 0.00 174.94 173.38 2af2 s LYS 36 N 1.02 1.13 0.00 2.79 2.20 -0.01 -1.02 119.74 125.85 2af2 s LYS 36 Ca -0.05 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2af2 s LYS 36 Cb -0.15 -1.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.14 2af2 s LYS 36 CO -0.03 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 2af2 n GLY 37 N 3.20 1.61 3.77 5.54 0.00 -0.82 -1.30 105.19 117.19 2af2 n GLY 37 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2af2 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 38 N 0.00 4.20 0.09 0.99 1.02 -1.26 -4.87 118.68 118.86 2af2 s LEU 38 Ca 0.00 2.88 -0.14 0.00 0.02 0.00 0.00 54.13 56.89 2af2 s LEU 38 Cb 0.00 -3.85 -0.12 0.00 0.02 0.00 0.00 46.19 42.24 2af2 s LEU 38 CO 0.00 -0.99 1.35 0.00 0.02 0.00 0.00 176.35 176.73 2af2 h THR 39 N 2.54 1.31 0.00 5.49 1.03 -1.93 -3.38 112.91 117.98 2af2 h THR 39 Ca -0.50 -1.69 0.00 0.00 -0.01 0.00 0.00 66.41 64.20 2af2 h THR 39 Cb 1.25 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 70.13 2af2 h THR 39 CO 0.62 0.54 0.00 -1.84 -0.01 0.00 0.00 175.52 174.83 2af2 n GLU 40 N -4.14 -0.07 -0.43 0.00 -0.00 -1.26 -4.53 120.64 110.21 2af2 n GLU 40 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.16 2af2 n GLU 40 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 32.01 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 0.00 -1.91 3.83 -1.84 0.00 -1.09 -4.45 105.19 99.73 2af2 n GLY 41 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 -4.93 3.75 -0.14 0.99 1.02 -1.26 -0.45 118.68 117.66 2af2 s LEU 42 Ca 0.00 1.66 -0.17 0.00 0.02 0.00 0.00 54.13 55.64 2af2 s LEU 42 Cb 0.00 -4.53 0.04 0.00 0.02 0.00 0.00 46.19 41.73 2af2 s LEU 42 CO 0.00 -0.56 0.46 -1.00 0.02 0.00 0.00 176.35 175.28 2af2 s HIS 43 N -2.39 -0.48 1.01 0.29 3.76 0.45 -1.76 115.29 116.17 2af2 s HIS 43 Ca 0.61 1.11 -0.12 0.00 -0.15 0.00 0.00 55.06 56.51 2af2 s HIS 43 Cb -0.10 0.18 0.15 0.00 1.11 0.00 0.00 32.58 33.92 2af2 s HIS 43 CO 0.24 -0.30 0.80 0.41 -0.85 0.00 0.00 174.74 175.05 2af2 n GLY 44 N 2.46 -1.41 2.96 -2.22 0.00 -1.00 0.38 105.19 106.36 2af2 n GLY 44 Ca -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 2af2 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2af2 s PHE 45 N -2.48 -1.64 0.01 1.61 2.19 -1.11 -3.72 117.98 112.85 2af2 s PHE 45 Ca 0.64 -0.19 0.03 0.00 0.33 0.00 0.00 56.93 57.74 2af2 s PHE 45 Cb -0.22 0.31 -0.01 0.00 -1.31 0.00 0.00 43.02 41.79 2af2 s PHE 45 CO 0.63 -1.21 -0.09 -1.01 1.83 0.00 0.00 175.22 175.37 2af2 s HIS 46 N 1.32 0.83 -0.16 10.12 0.09 -0.65 -2.28 115.29 124.56 2af2 s HIS 46 Ca 0.24 -0.23 -0.04 0.00 -0.00 0.00 0.00 55.06 55.03 2af2 s HIS 46 Cb -0.02 -0.52 -0.03 0.00 -0.00 0.00 0.00 32.58 32.02 2af2 s HIS 46 CO -0.06 -0.01 -0.03 0.14 -0.00 0.00 0.00 174.74 174.77 2af2 s VAL 47 N -0.47 3.86 0.61 -0.90 -7.23 0.33 -0.77 120.40 115.83 2af2 s VAL 47 Ca 0.01 -0.37 -0.14 0.00 -1.81 0.00 0.00 61.98 59.68 2af2 s VAL 47 Cb -0.05 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2af2 s VAL 47 CO 0.00 0.48 1.04 -1.00 -0.31 0.00 0.00 175.10 175.31 2af2 s HIS 48 N 0.51 3.18 0.07 2.82 3.76 0.57 -4.18 115.29 122.01 2af2 s HIS 48 Ca -0.03 1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 56.03 2af2 s HIS 48 Cb -0.14 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.59 2af2 s HIS 48 CO 0.03 -0.97 1.16 -2.00 -0.85 0.00 0.00 174.74 172.11 2af2 s GLU 49 N -4.48 4.47 0.23 1.40 2.56 -1.15 -4.44 118.70 117.29 2af2 s GLU 49 Ca 0.60 1.73 0.00 0.00 0.00 0.00 0.00 54.97 57.30 2af2 s GLU 49 Cb -0.14 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.64 2af2 s GLU 49 CO 0.43 -0.19 0.00 1.19 -0.56 0.00 0.00 175.26 176.13 2af2 n PHE 50 N 3.69 -1.71 -0.39 5.30 3.72 -1.26 -3.68 117.46 123.13 2af2 n PHE 50 Ca 0.08 0.90 0.10 0.00 -0.05 0.00 0.00 57.45 58.48 2af2 n PHE 50 Cb 0.47 -1.56 0.29 0.00 -0.94 0.00 0.00 39.48 37.74 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 -3.31 2.64 1.89 1.37 0.00 -1.14 -4.07 105.19 102.57 2af2 n GLY 51 Ca -0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 1.29 4.99 -2.23 1.61 5.68 -1.26 -4.73 116.55 121.91 2af2 n ASP 52 Ca 0.22 -2.40 -0.22 0.00 -0.50 0.00 0.00 54.79 51.88 2af2 n ASP 52 Cb 0.63 -1.27 -0.02 0.00 -1.14 0.00 0.00 41.12 39.33 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2af2 n ASN 53 N 2.26 6.47 -0.00 -1.12 2.04 -1.26 -3.26 115.26 120.38 2af2 n ASN 53 Ca 0.30 -3.14 -0.00 0.00 -0.44 0.00 0.00 54.58 51.29 2af2 n ASN 53 Cb 0.76 -1.16 -0.00 0.00 -2.53 0.00 0.00 39.78 36.85 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2af2 n THR 54 N 0.66 0.01 0.09 5.53 -2.24 -1.26 -4.55 114.28 112.52 2af2 n THR 54 Ca 0.41 -0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.26 2af2 n THR 54 Cb 0.58 -0.60 0.25 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.41 2.76 -0.98 6.98 0.00 -1.26 -5.05 120.51 120.55 2af2 n ALA 55 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2af2 n ALA 55 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.07 4.05 0.13 0.00 0.00 -1.26 -1.90 105.19 107.27 2af2 n GLY 56 Ca 0.18 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.06 0.00 0.00 0.00 -1.04 -0.80 -4.89 114.28 105.49 2af2 n THR 58 Ca -0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2af2 n THR 58 Cb 0.07 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 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 -0.86 0.56 -2.78 8.00 7.64 -0.29 -4.95 113.62 120.94 2af2 n SER 59 Ca 0.20 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 2af2 n SER 59 Cb 0.11 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.42 -1.54 -0.43 0.00 -1.20 -4.85 120.51 109.91 2af2 n ALA 60 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 2af2 n ALA 60 Cb 0.00 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.08 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 2.97 1.65 -1.05 0.00 0.00 -1.24 -4.69 107.32 104.95 2af2 s GLY 61 Ca 0.83 -0.04 -0.24 0.00 0.00 0.00 0.00 44.72 45.27 2af2 s GLY 61 CO 0.33 0.33 1.96 2.56 0.00 0.00 0.00 173.10 178.27 2af2 s PRO 62 N -5.08 2.45 -1.14 2.90 0.04 -1.26 -2.91 135.00 130.00 2af2 s PRO 62 Ca 0.60 -0.74 -0.17 0.00 0.04 0.00 0.00 61.00 60.73 2af2 s PRO 62 Cb -0.14 -5.15 -0.02 0.00 0.04 0.00 0.00 34.50 29.23 2af2 s PRO 62 CO 0.55 -3.79 0.80 -2.39 0.04 0.00 0.00 177.00 172.21 2af2 n HIS 63 N 14.50 -1.99 -0.61 0.56 1.44 -1.26 -4.90 115.22 122.95 2af2 n HIS 63 Ca 0.43 0.54 -0.31 0.00 -2.01 0.00 0.00 57.72 56.37 2af2 n HIS 63 Cb 0.47 -3.60 0.20 0.00 0.12 0.00 0.00 29.99 27.18 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 -4.04 -1.12 -3.57 -1.40 3.72 -1.26 -4.77 117.46 105.02 2af2 n PHE 64 Ca -0.10 0.06 -0.28 0.00 -0.05 0.00 0.00 57.45 57.08 2af2 n PHE 64 Cb 0.60 -1.69 -0.09 0.00 -0.94 0.00 0.00 39.48 37.36 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 -3.20 3.66 0.29 4.37 6.94 -1.26 -4.38 115.26 121.68 2af2 n ASN 65 Ca 0.04 -3.36 0.16 0.00 -0.02 0.00 0.00 54.58 51.39 2af2 n ASN 65 Cb 0.57 -0.74 0.89 0.00 -2.36 0.00 0.00 39.78 38.14 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 4.68 0.00 -0.01 -0.53 0.13 -1.97 0.18 132.00 134.48 2af2 h PRO 66 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2af2 h PRO 66 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2af2 h PRO 66 CO 0.82 0.05 -0.12 -0.11 -0.23 0.00 0.00 178.00 178.40 2af2 n LEU 67 N -3.57 0.76 -2.44 1.56 7.94 -1.26 -4.98 117.00 115.01 2af2 n LEU 67 Ca -0.02 -0.15 -0.10 0.00 -1.11 0.00 0.00 56.01 54.62 2af2 n LEU 67 Cb 0.15 -0.12 0.05 0.00 0.53 0.00 0.00 43.42 44.03 2af2 n LEU 67 CO 0.27 0.14 0.07 -0.24 -1.11 0.00 0.00 177.39 176.51 2af2 n SER 68 N -0.68 -2.10 -4.89 1.96 2.88 0.63 -5.03 113.62 106.38 2af2 n SER 68 Ca 0.15 -0.37 -0.21 0.00 -1.33 0.00 0.00 58.87 57.12 2af2 n SER 68 Cb 0.30 -3.24 -0.03 0.00 -0.75 0.00 0.00 64.21 60.49 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 -4.84 2.51 0.75 -1.46 0.52 -1.26 -5.11 118.95 110.07 2af2 s ARG 69 Ca 0.01 -1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 53.54 2af2 s ARG 69 Cb -0.00 -2.37 0.04 0.00 0.52 0.00 0.00 34.95 33.13 2af2 s ARG 69 CO 0.43 -0.25 1.08 0.15 0.02 0.00 0.00 175.30 176.73 2af2 s LYS 70 N -4.16 2.44 0.17 3.54 1.02 -1.26 -4.90 119.74 116.58 2af2 s LYS 70 Ca 0.48 0.86 -0.20 0.00 0.02 0.00 0.00 55.97 57.12 2af2 s LYS 70 Cb -0.03 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.26 2af2 s LYS 70 CO 0.28 -1.43 0.67 -1.58 -0.92 0.00 0.00 175.35 172.38 2af2 s HIS 71 N -3.06 3.73 0.00 3.18 5.65 -0.62 -3.92 115.29 120.25 2af2 s HIS 71 Ca 0.60 1.37 0.00 0.00 0.25 0.00 0.00 55.06 57.27 2af2 s HIS 71 Cb -0.15 -2.59 0.00 0.00 -1.18 0.00 0.00 32.58 28.67 2af2 s HIS 71 CO 0.55 0.44 0.00 0.41 -0.65 0.00 0.00 174.74 175.49 2af2 n GLY 72 N 1.14 0.21 0.00 1.59 0.00 -1.26 -2.47 105.19 104.39 2af2 n GLY 72 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 3.07 1.45 -0.02 0.00 -1.16 -4.10 105.19 104.42 2af2 n GLY 73 Ca 0.00 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 3.09 0.00 1.61 -0.04 -1.26 -4.56 135.00 133.84 2af2 n PRO 74 Ca 0.00 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 2af2 n PRO 74 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 1.46 0.00 -2.28 0.54 0.00 -1.26 -5.07 118.16 111.55 2af2 n LYS 75 Ca 0.25 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.23 2af2 n LYS 75 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.74 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 -0.68 6.11 0.06 -5.58 2.15 -1.14 -5.01 116.67 112.58 2af2 s ASP 76 Ca 0.00 1.82 0.16 0.00 0.43 0.00 0.00 52.55 54.97 2af2 s ASP 76 Cb 0.00 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.95 2af2 s ASP 76 CO 0.00 -0.94 0.84 -0.08 -0.17 0.00 0.00 175.17 174.82 2af2 h GLU 77 N 0.93 0.00 0.00 4.34 4.81 -1.92 -3.07 114.58 119.67 2af2 h GLU 77 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2af2 h GLU 77 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2af2 h GLU 77 CO 0.59 0.32 0.00 0.39 -0.73 0.00 0.00 179.01 179.57 2af2 n GLU 78 N -2.92 0.00 -1.43 1.92 1.02 -1.26 -4.94 120.64 113.02 2af2 n GLU 78 Ca -0.10 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2af2 n GLU 78 Cb 0.85 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 2af2 n GLU 78 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2af2 n ARG 79 N -2.15 -2.87 -0.65 3.49 0.63 -1.25 -4.85 116.66 109.01 2af2 n ARG 79 Ca 0.00 2.28 -0.31 0.00 -0.92 0.00 0.00 57.85 58.90 2af2 n ARG 79 Cb 0.00 -2.37 0.18 0.00 0.45 0.00 0.00 32.46 30.72 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 0.98 -0.31 -0.27 -0.14 8.25 -1.25 -4.93 115.22 117.55 2af2 n HIS 80 Ca 0.00 0.21 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 2af2 n HIS 80 Cb 0.00 -1.85 0.22 0.00 1.12 0.00 0.00 29.99 29.49 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 -2.05 1.17 -0.64 1.59 3.04 -1.91 -3.01 116.25 114.43 2af2 h VAL 81 Ca -0.49 -0.37 -0.36 0.00 -1.01 0.00 0.00 66.70 64.47 2af2 h VAL 81 Cb 1.30 -0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 30.43 2af2 h VAL 81 CO 0.41 0.20 0.30 0.61 -1.01 0.00 0.00 177.57 178.08 2af2 n GLY 82 N -1.41 4.00 2.87 3.17 0.00 -1.26 -4.88 105.19 107.67 2af2 n GLY 82 Ca 0.10 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 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 0.55 0.43 -0.43 1.61 1.01 -1.14 -0.51 116.67 118.18 2af2 s ASP 83 Ca 0.44 -0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.75 2af2 s ASP 83 Cb 0.29 -0.15 0.40 0.00 1.01 0.00 0.00 42.92 44.47 2af2 s ASP 83 CO -0.09 -0.03 0.99 0.18 0.21 0.00 0.00 175.17 176.42 2af2 n LEU 84 N 3.61 3.34 0.00 1.23 4.77 -0.97 -4.88 117.00 124.11 2af2 n LEU 84 Ca -0.20 -4.92 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 2af2 n LEU 84 Cb 0.54 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2af2 n LEU 84 CO 0.24 2.10 0.00 0.61 -1.33 0.00 0.00 177.39 179.01 2af2 n GLY 85 N -0.23 2.63 3.03 -0.72 0.00 -1.23 -4.79 105.19 103.89 2af2 n GLY 85 Ca 0.28 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.18 0.64 1.61 4.22 -1.26 -2.74 114.94 113.59 2af2 s ASN 86 Ca 0.00 -0.44 0.06 0.00 -2.14 0.00 0.00 52.86 50.33 2af2 s ASN 86 Cb 0.00 0.15 0.11 0.00 1.28 0.00 0.00 41.25 42.78 2af2 s ASN 86 CO 0.00 -0.35 0.88 0.54 -2.04 0.00 0.00 177.10 176.13 2af2 s VAL 87 N -1.65 2.12 -0.14 3.54 0.11 0.16 -4.88 120.40 119.66 2af2 s VAL 87 Ca -0.14 -0.84 -0.12 0.00 -2.93 0.00 0.00 61.98 57.96 2af2 s VAL 87 Cb -0.08 -2.28 0.04 0.00 -1.53 0.00 0.00 36.38 32.53 2af2 s VAL 87 CO -0.01 0.00 0.36 -0.89 -3.33 0.00 0.00 175.10 171.23 2af2 s THR 88 N -2.87 -0.01 -0.09 5.04 2.01 -1.26 -0.41 115.64 118.05 2af2 s THR 88 Ca 0.64 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 2af2 s THR 88 Cb -0.05 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2af2 s THR 88 CO 0.41 0.01 0.04 0.00 -0.69 0.00 0.00 174.62 174.39 2af2 s ALA 89 N 0.40 3.44 0.38 7.40 0.00 0.40 -4.26 121.76 129.52 2af2 s ALA 89 Ca -0.02 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 2af2 s ALA 89 Cb -0.04 -1.60 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 2af2 s ALA 89 CO -0.02 0.60 0.99 0.34 0.00 0.00 0.00 175.76 177.68 2af2 s ASP 90 N -0.99 7.01 0.42 0.00 2.15 0.62 -2.67 116.67 123.21 2af2 s ASP 90 Ca 0.14 1.91 0.13 0.00 0.43 0.00 0.00 52.55 55.16 2af2 s ASP 90 Cb -0.12 -2.58 0.69 0.00 -0.30 0.00 0.00 42.92 40.62 2af2 s ASP 90 CO 0.04 -0.31 1.29 0.07 -0.17 0.00 0.00 175.17 176.08 2af2 h LYS 91 N 2.66 0.00 0.00 4.34 5.09 -1.87 0.14 116.57 126.93 2af2 h LYS 91 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 2af2 h LYS 91 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.53 2af2 h LYS 91 CO 0.63 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.74 2af2 n ASP 92 N -2.20 0.00 -0.33 7.07 8.00 -1.26 -4.88 116.55 122.95 2af2 n ASP 92 Ca -0.01 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2af2 n ASP 92 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 0.49 0.80 3.44 0.44 0.00 0.39 -4.97 105.19 105.78 2af2 n GLY 93 Ca 0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.31 -0.01 -0.45 1.61 0.11 -0.56 -1.95 120.40 116.85 2af2 s VAL 94 Ca 0.00 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 2af2 s VAL 94 Cb 0.00 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2af2 s VAL 94 CO 0.00 0.02 0.40 0.00 -3.33 0.00 0.00 175.10 172.19 2af2 s ALA 95 N 1.24 3.49 -0.01 1.54 0.00 -0.19 -0.27 121.76 127.56 2af2 s ALA 95 Ca -0.08 -1.84 -0.06 0.00 0.00 0.00 0.00 51.96 49.99 2af2 s ALA 95 Cb -0.06 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2af2 s ALA 95 CO -0.12 -1.65 0.23 0.34 0.00 0.00 0.00 175.76 174.56 2af2 s ASP 96 N 2.17 6.45 0.07 0.00 2.15 -1.26 -0.57 116.67 125.69 2af2 s ASP 96 Ca 0.07 0.50 0.09 0.00 0.43 0.00 0.00 52.55 53.64 2af2 s ASP 96 Cb -0.21 -2.07 -0.03 0.00 -0.30 0.00 0.00 42.92 40.32 2af2 s ASP 96 CO 0.10 0.27 -0.24 0.54 -0.17 0.00 0.00 175.17 175.66 2af2 s VAL 97 N -1.28 1.98 -0.50 1.11 0.11 0.11 -4.93 120.40 116.99 2af2 s VAL 97 Ca 0.26 -1.42 0.07 0.00 -2.93 0.00 0.00 61.98 57.97 2af2 s VAL 97 Cb -0.13 -1.72 0.19 0.00 -1.53 0.00 0.00 36.38 33.19 2af2 s VAL 97 CO 0.16 0.22 0.71 -0.55 -3.33 0.00 0.00 175.10 172.31 2af2 s SER 98 N -1.44 -1.38 0.17 3.54 0.15 -1.25 -1.42 113.70 112.08 2af2 s SER 98 Ca 0.10 -1.65 0.07 0.00 0.70 0.00 0.00 55.95 55.17 2af2 s SER 98 Cb -0.10 1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 66.02 2af2 s SER 98 CO 0.03 -0.07 -0.14 -0.63 1.20 0.00 0.00 173.24 173.63 2af2 s ILE 99 N 0.98 1.55 -0.02 6.45 1.01 0.36 -5.00 121.20 126.52 2af2 s ILE 99 Ca 0.28 -2.03 0.05 0.00 0.00 0.00 0.00 60.65 58.96 2af2 s ILE 99 Cb -0.01 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2af2 s ILE 99 CO -0.06 -0.54 -0.18 -0.70 0.00 0.00 0.00 174.94 173.46 2af2 s GLU 100 N -3.32 1.55 0.03 2.79 2.12 -1.26 0.24 118.70 120.85 2af2 s GLU 100 Ca 0.17 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2af2 s GLU 100 Cb -0.02 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.91 2af2 s GLU 100 CO 0.05 0.34 -0.09 0.34 -0.54 0.00 0.00 175.26 175.37 2af2 s ASP 101 N -0.29 0.99 -0.42 -1.70 2.15 -0.47 -4.99 116.67 111.94 2af2 s ASP 101 Ca 0.04 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 52.69 2af2 s ASP 101 Cb -0.08 -0.03 0.43 0.00 -0.30 0.00 0.00 42.92 42.93 2af2 s ASP 101 CO 0.00 -0.06 1.12 -1.54 -0.17 0.00 0.00 175.17 174.52 2af2 n SER 102 N 2.04 4.66 0.00 -0.34 3.41 -1.26 -1.18 113.62 120.94 2af2 n SER 102 Ca -0.18 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 2af2 n SER 102 Cb 0.56 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2af2 n SER 102 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2af2 n VAL 103 N -0.50 0.01 -4.05 -3.33 0.24 -1.26 -4.96 118.33 104.47 2af2 n VAL 103 Ca 0.39 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.52 2af2 n VAL 103 Cb 0.71 1.58 -0.14 0.00 -1.47 0.00 0.00 33.84 34.51 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2af2 s ILE 104 N -0.01 0.27 0.51 1.34 -0.00 -1.26 -5.02 121.20 117.03 2af2 s ILE 104 Ca 0.00 -0.13 0.05 0.00 -0.00 0.00 0.00 60.65 60.57 2af2 s ILE 104 Cb 0.00 -0.24 0.01 0.00 -0.00 0.00 0.00 42.46 42.23 2af2 s ILE 104 CO 0.00 0.08 0.30 -0.94 -0.00 0.00 0.00 174.94 174.38 2af2 s SER 105 N 0.01 4.54 -0.53 4.36 1.04 -1.26 -4.12 113.70 117.73 2af2 s SER 105 Ca 0.00 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 54.90 2af2 s SER 105 Cb -0.02 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.37 2af2 s SER 105 CO -0.00 -0.95 1.08 -0.76 0.98 0.00 0.00 173.24 173.59 2af2 s LEU 106 N -4.14 3.73 0.00 2.42 1.43 -1.26 -1.30 118.68 119.55 2af2 s LEU 106 Ca 0.31 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2af2 s LEU 106 Cb -0.01 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2af2 s LEU 106 CO 0.19 -1.30 0.00 -0.24 0.23 0.00 0.00 176.35 175.23 2af2 n SER 107 N 7.87 0.24 -1.43 2.29 2.88 0.17 -4.89 113.62 120.75 2af2 n SER 107 Ca 0.07 -0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.45 2af2 n SER 107 Cb 0.49 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.22 -0.04 0.00 0.46 0.00 -0.20 -4.76 105.19 100.87 2af2 n GLY 108 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2af2 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 109 N -0.27 0.00 0.00 1.61 2.03 -1.26 -4.86 116.55 113.80 2af2 n ASP 109 Ca -0.10 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.22 2af2 n ASP 109 Cb 0.59 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.10 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2af2 n HIS 110 N 0.00 0.00 -2.66 -0.67 8.25 -1.26 -4.73 115.22 114.15 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 0.43 0.64 0.00 0.00 176.34 177.41 2af2 n SER 111 N -0.56 0.00 -4.89 0.41 7.64 -1.26 -4.92 113.62 110.04 2af2 n SER 111 Ca 0.03 -0.15 -0.29 0.00 1.01 0.00 0.00 58.87 59.46 2af2 n SER 111 Cb 0.01 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2af2 n SER 111 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2af2 s ILE 112 N -2.06 4.41 0.00 0.44 -4.36 -0.42 -3.87 121.20 115.34 2af2 s ILE 112 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 60.65 60.94 2af2 s ILE 112 Cb 0.00 -3.75 0.00 0.00 1.25 0.00 0.00 42.46 39.96 2af2 s ILE 112 CO 0.00 -0.91 0.00 -0.38 0.24 0.00 0.00 174.94 173.89 2af2 n ILE 113 N -2.66 0.00 -0.86 8.37 2.08 -1.26 -0.65 119.36 124.37 2af2 n ILE 113 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2af2 n ILE 113 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 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 1.11 0.54 2.43 7.39 0.00 -0.12 -4.24 105.19 112.30 2af2 n GLY 114 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2af2 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 n ARG 115 N -1.86 0.89 -4.80 1.61 1.74 -1.26 -2.88 116.66 110.10 2af2 n ARG 115 Ca 0.00 -2.11 -0.30 0.00 -0.77 0.00 0.00 57.85 54.68 2af2 n ARG 115 Cb 0.05 0.09 -0.14 0.00 -1.02 0.00 0.00 32.46 31.44 2af2 n ARG 115 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2af2 s THR 116 N -1.56 2.13 -0.17 0.55 -1.32 -1.26 0.11 115.64 114.12 2af2 s THR 116 Ca 0.27 -1.45 -0.08 0.00 -1.21 0.00 0.00 61.69 59.22 2af2 s THR 116 Cb -0.02 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.09 2af2 s THR 116 CO 0.17 0.31 0.11 -0.22 -2.21 0.00 0.00 174.62 172.77 2af2 s LEU 117 N -1.39 4.13 0.08 9.08 2.96 -0.29 -0.32 118.68 132.94 2af2 s LEU 117 Ca 0.12 0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2af2 s LEU 117 Cb -0.10 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2af2 s LEU 117 CO 0.03 0.26 -0.16 0.54 -1.32 0.00 0.00 176.35 175.69 2af2 s VAL 118 N -0.12 2.94 0.09 1.68 0.11 0.05 -1.92 120.40 123.23 2af2 s VAL 118 Ca 0.09 -1.31 0.06 0.00 -2.93 0.00 0.00 61.98 57.89 2af2 s VAL 118 Cb -0.12 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.39 2af2 s VAL 118 CO 0.00 0.21 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.14 2af2 s VAL 119 N -1.06 1.31 -0.06 2.04 1.01 -1.18 -1.63 120.40 120.83 2af2 s VAL 119 Ca 0.17 -1.46 0.04 0.00 0.00 0.00 0.00 61.98 60.73 2af2 s VAL 119 Cb -0.11 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2af2 s VAL 119 CO 0.09 -0.23 -0.19 -1.00 0.00 0.00 0.00 175.10 173.76 2af2 s HIS 120 N -1.46 1.95 -0.16 5.22 3.76 -1.24 -2.44 115.29 120.93 2af2 s HIS 120 Ca 0.03 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2af2 s HIS 120 Cb -0.09 -1.32 0.11 0.00 1.11 0.00 0.00 32.58 32.40 2af2 s HIS 120 CO 0.03 -0.23 1.94 -1.91 -0.85 0.00 0.00 174.74 173.72 2af2 n GLU 121 N 3.25 1.40 -3.63 1.40 4.07 -1.25 -2.38 120.64 123.49 2af2 n GLU 121 Ca -0.19 -0.78 -0.10 0.00 -0.06 0.00 0.00 57.16 56.02 2af2 n GLU 121 Cb 0.53 -1.31 -0.04 0.00 -0.06 0.00 0.00 31.44 30.55 2af2 n GLU 121 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2af2 s LYS 122 N -0.91 1.11 -0.05 5.31 1.02 -1.24 -4.68 119.74 120.29 2af2 s LYS 122 Ca 0.15 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2af2 s LYS 122 Cb 0.12 0.48 -0.07 0.00 -0.52 0.00 0.00 37.83 37.85 2af2 s LYS 122 CO 0.00 -0.44 1.85 0.00 -0.92 0.00 0.00 175.35 175.84 2af2 s ALA 123 N -3.81 3.47 0.48 5.17 0.00 -0.72 -3.91 121.76 122.43 2af2 s ALA 123 Ca 0.04 1.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 2af2 s ALA 123 Cb 0.01 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 2af2 s ALA 123 CO -0.11 -1.69 0.83 -0.51 0.00 0.00 0.00 175.76 174.28 2af2 s ASP 124 N 4.46 6.36 0.00 0.00 1.11 -1.26 -4.75 116.67 122.59 2af2 s ASP 124 Ca 0.83 1.10 0.25 0.00 0.18 0.00 0.00 52.55 54.91 2af2 s ASP 124 Cb -0.36 -2.32 0.47 0.00 1.07 0.00 0.00 42.92 41.78 2af2 s ASP 124 CO 0.35 -0.56 1.39 -0.67 1.18 0.00 0.00 175.17 176.86 2af2 n ASP 125 N -1.97 0.60 -0.08 0.27 -0.08 0.57 -4.94 116.55 110.92 2af2 n ASP 125 Ca 0.02 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 2af2 n ASP 125 Cb 0.54 0.30 0.00 0.00 2.34 0.00 0.00 41.12 44.30 2af2 n ASP 125 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2af2 n LEU 126 N -1.41 0.00 0.00 -2.67 4.32 -1.21 -3.34 117.00 112.69 2af2 n LEU 126 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2af2 n LEU 126 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2af2 n LEU 126 CO 0.35 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 2af2 n GLY 127 N -0.00 2.44 3.10 -0.72 0.00 -0.44 -2.89 105.19 106.68 2af2 n GLY 127 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 2af2 n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2af2 s LYS 128 N 0.00 0.70 0.00 1.61 2.20 -1.21 -2.22 119.74 120.82 2af2 s LYS 128 Ca 0.00 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2af2 s LYS 128 Cb 0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 2af2 s LYS 128 CO 0.00 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 2af2 n GLY 129 N 4.71 0.71 1.61 5.54 0.00 -1.26 -5.01 105.19 111.49 2af2 n GLY 129 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 5.00 3.16 3.41 -0.02 0.00 -1.26 -5.09 105.19 110.40 2af2 n GLY 130 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2af2 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 131 N -2.97 -0.55 0.01 1.61 2.20 -1.26 -5.08 114.94 108.90 2af2 s ASN 131 Ca 0.36 -0.01 -0.24 0.00 -0.94 0.00 0.00 52.86 52.03 2af2 s ASN 131 Cb 0.37 0.59 -0.18 0.00 -2.00 0.00 0.00 41.25 40.03 2af2 s ASN 131 CO -0.08 -0.96 1.34 -0.08 -2.94 0.00 0.00 177.10 174.38 2af2 h GLU 132 N 2.04 0.10 -1.49 3.55 4.81 -1.99 -3.16 114.58 118.44 2af2 h GLU 132 Ca -0.34 -0.05 0.48 0.00 -0.13 0.00 0.00 59.36 59.33 2af2 h GLU 132 Cb 1.30 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.57 2af2 h GLU 132 CO 0.39 0.51 1.01 0.39 -0.73 0.00 0.00 179.01 180.57 2af2 n GLU 133 N -4.80 -0.02 -0.17 1.92 4.71 -1.26 -1.01 120.64 120.01 2af2 n GLU 133 Ca -0.08 1.12 -0.07 0.00 -0.01 0.00 0.00 57.16 58.13 2af2 n GLU 133 Cb 0.25 -2.33 0.02 0.00 -1.01 0.00 0.00 31.44 28.37 2af2 n GLU 133 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2af2 h SER 134 N 0.00 0.58 0.48 1.62 4.64 -1.83 0.13 113.55 119.17 2af2 h SER 134 Ca 0.85 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.85 2af2 h SER 134 Cb 2.98 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 64.93 2af2 h SER 134 CO -0.29 0.42 -1.41 0.00 -0.87 0.00 0.00 176.83 174.68 2af2 h THR 135 N 0.69 1.32 -0.31 2.95 1.03 -0.59 -1.09 112.91 116.90 2af2 h THR 135 Ca 0.19 -2.88 0.04 0.00 -0.01 0.00 0.00 66.41 63.75 2af2 h THR 135 Cb -0.07 2.89 -0.04 0.00 -1.07 0.00 0.00 68.15 69.87 2af2 h THR 135 CO -0.05 0.85 0.09 0.50 -0.01 0.00 0.00 175.52 176.91 2af2 h LYS 136 N 0.09 0.21 0.00 0.00 3.64 -0.96 -1.66 116.57 117.88 2af2 h LYS 136 Ca -0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2af2 h LYS 136 Cb 2.03 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 2af2 h LYS 136 CO 0.20 0.14 0.00 0.25 -2.27 0.00 0.00 179.45 177.77 2af2 n THR 137 N -5.05 0.00 -0.07 1.00 -2.24 0.23 -4.78 114.28 103.37 2af2 n THR 137 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2af2 n THR 137 Cb 0.12 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.00 0.69 5.00 3.38 0.00 0.01 -4.71 105.19 109.56 2af2 n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 1.61 2.85 -0.36 -0.31 115.26 119.05 2af2 n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2af2 n ASN 139 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 0.00 0.00 0.00 5.20 0.00 -1.26 -4.69 120.51 119.76 2af2 n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 140 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.22 0.84 1.19 0.00 0.00 -1.26 -3.73 105.19 101.00 2af2 n GLY 141 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.01 -0.69 -3.92 1.61 2.88 -1.26 -4.86 113.62 107.39 2af2 n SER 142 Ca 0.00 -1.46 -0.10 0.00 -1.33 0.00 0.00 58.87 55.98 2af2 n SER 142 Cb 0.00 1.15 -0.09 0.00 -0.75 0.00 0.00 64.21 64.51 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 -2.03 0.58 0.00 -1.46 3.03 -1.26 -3.87 118.95 113.94 2af2 s ARG 143 Ca 0.05 -0.70 0.00 0.00 2.03 0.00 0.00 55.73 57.11 2af2 s ARG 143 Cb -0.01 0.23 0.00 0.00 -1.03 0.00 0.00 34.95 34.14 2af2 s ARG 143 CO 0.03 -0.15 0.00 1.47 -1.13 0.00 0.00 175.30 175.53 2af2 n LEU 144 N 0.85 0.00 -4.76 -1.89 -0.00 -1.02 -4.38 117.00 105.80 2af2 n LEU 144 Ca -0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.50 2af2 n LEU 144 Cb 0.58 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.09 2af2 n LEU 144 CO 0.22 0.00 0.71 0.00 -0.00 0.00 0.00 177.39 178.32 2af2 s ALA 145 N -2.00 2.20 0.08 1.47 0.00 -1.26 -4.80 121.76 117.45 2af2 s ALA 145 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 2af2 s ALA 145 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2af2 s ALA 145 CO 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 175.76 173.98 2af2 s GLY 147 N -2.95 -0.55 0.68 0.00 0.00 -0.81 -1.15 107.32 102.54 2af2 s GLY 147 Ca 0.12 1.38 -0.11 0.00 0.00 0.00 0.00 44.72 46.11 2af2 s GLY 147 CO -0.07 1.05 1.06 0.14 0.00 0.00 0.00 173.10 175.28 2af2 s VAL 148 N -0.92 4.07 -0.47 1.40 1.01 -1.26 -1.13 120.40 123.09 2af2 s VAL 148 Ca -0.09 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 2af2 s VAL 148 Cb -0.01 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.90 2af2 s VAL 148 CO 0.08 -0.88 0.29 -0.63 0.00 0.00 0.00 175.10 173.97 2af2 s ILE 149 N -3.20 3.69 0.40 2.22 1.01 0.12 -4.40 121.20 121.03 2af2 s ILE 149 Ca 0.57 -2.10 0.06 0.00 0.00 0.00 0.00 60.65 59.18 2af2 s ILE 149 Cb -0.12 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2af2 s ILE 149 CO 0.54 -0.75 0.56 -0.83 0.00 0.00 0.00 174.94 174.45 2af2 s GLY 150 N 1.96 1.72 -1.25 6.18 0.00 -1.25 -0.95 107.32 113.73 2af2 s GLY 150 Ca 0.09 -1.46 -0.16 0.00 0.00 0.00 0.00 44.72 43.19 2af2 s GLY 150 CO -0.03 -1.31 1.58 -0.26 0.00 0.00 0.00 173.10 173.08 2af2 s ILE 151 N -2.34 4.59 -0.38 0.90 -5.25 -1.26 -1.25 121.20 116.22 2af2 s ILE 151 Ca 0.50 -2.29 0.00 0.00 -0.99 0.00 0.00 60.65 57.86 2af2 s ILE 151 Cb -0.10 -5.05 0.00 0.00 2.95 0.00 0.00 42.46 40.26 2af2 s ILE 151 CO 0.33 -1.82 0.75 0.00 -1.79 0.00 0.00 174.94 172.41 2af2 n ALA 152 N 6.97 2.40 0.00 2.27 0.00 0.16 -4.98 120.51 127.33 2af2 n ALA 152 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2af2 n ALA 152 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2af2 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54