#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 n THR 2 N 0.00 2.71 -3.53 0.00 -2.24 -1.00 -3.52 114.28 106.69 2af2 n THR 2 Ca 0.00 -1.27 -0.09 0.00 -2.27 0.00 0.00 64.05 60.42 2af2 n THR 2 Cb 0.00 -1.89 -0.03 0.00 -2.10 0.00 0.00 70.33 66.31 2af2 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2af2 s LYS 3 N 0.91 0.71 0.35 -0.78 2.20 -1.25 -4.51 119.74 117.37 2af2 s LYS 3 Ca 0.53 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.96 2af2 s LYS 3 Cb 0.25 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 2af2 s LYS 3 CO 0.00 -0.29 0.48 0.00 -0.36 0.00 0.00 175.35 175.18 2af2 s ALA 4 N -2.52 0.80 -0.27 3.13 0.00 0.10 -4.58 121.76 118.41 2af2 s ALA 4 Ca 0.04 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 2af2 s ALA 4 Cb -0.01 1.15 0.16 0.00 0.00 0.00 0.00 23.12 24.43 2af2 s ALA 4 CO -0.06 -0.79 0.49 0.54 0.00 0.00 0.00 175.76 175.94 2af2 s VAL 5 N -2.98 -0.80 -0.62 0.00 0.11 0.39 -3.39 120.40 113.11 2af2 s VAL 5 Ca 0.31 -0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 2af2 s VAL 5 Cb -0.01 -0.92 0.16 0.00 -1.53 0.00 0.00 36.38 34.08 2af2 s VAL 5 CO 0.21 -0.08 0.56 0.00 -3.33 0.00 0.00 175.10 172.46 2af2 s ALA 6 N 2.70 3.74 0.17 1.54 0.00 0.31 -0.73 121.76 129.49 2af2 s ALA 6 Ca 0.16 -2.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.01 2af2 s ALA 6 Cb -0.15 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 2af2 s ALA 6 CO -0.20 -2.08 1.05 0.08 0.00 0.00 0.00 175.76 174.61 2af2 s VAL 7 N 1.07 4.02 -0.28 0.00 1.01 -1.26 -0.60 120.40 124.35 2af2 s VAL 7 Ca 0.08 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2af2 s VAL 7 Cb -0.23 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.11 2af2 s VAL 7 CO -0.01 0.31 0.04 -0.76 0.00 0.00 0.00 175.10 174.67 2af2 s LEU 8 N -0.40 2.63 -0.03 3.92 1.02 -0.00 -4.23 118.68 121.59 2af2 s LEU 8 Ca 0.48 -1.48 -0.30 0.00 0.02 0.00 0.00 54.13 52.85 2af2 s LEU 8 Cb -0.28 -1.05 0.07 0.00 0.02 0.00 0.00 46.19 44.95 2af2 s LEU 8 CO 0.34 -0.34 0.68 -0.75 0.02 0.00 0.00 176.35 176.30 2af2 s LYS 9 N 1.46 1.07 0.00 1.70 2.20 -0.66 -1.99 119.74 123.52 2af2 s LYS 9 Ca 0.04 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 2af2 s LYS 9 Cb -0.18 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2af2 s LYS 9 CO -0.14 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2af2 n GLY 10 N 0.72 3.34 2.54 5.54 0.00 -1.26 -4.50 105.19 111.57 2af2 n GLY 10 Ca -0.18 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 2af2 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 11 N 0.00 7.45 0.00 1.61 5.75 -1.26 -4.88 116.55 125.22 2af2 n ASP 11 Ca 0.00 -3.30 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 2af2 n ASP 11 Cb 0.00 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 38.82 2af2 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2af2 n GLY 12 N 1.01 -1.16 0.82 6.12 0.00 -1.26 -5.00 105.19 105.72 2af2 n GLY 12 Ca 0.55 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 45.37 2af2 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 13 N 0.00 2.05 -3.94 1.61 -0.04 -1.26 -4.82 135.00 128.60 2af2 n PRO 13 Ca 0.00 -0.93 -0.35 0.00 -0.04 0.00 0.00 63.50 62.18 2af2 n PRO 13 Cb 0.00 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.71 2af2 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2af2 s VAL 14 N -1.57 3.51 0.18 0.52 1.01 -1.26 -4.30 120.40 118.49 2af2 s VAL 14 Ca 0.16 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2af2 s VAL 14 Cb 0.12 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.96 2af2 s VAL 14 CO 0.06 0.42 0.64 0.00 0.00 0.00 0.00 175.10 176.22 2af2 s GLN 15 N 1.40 1.38 0.31 2.72 0.00 -0.68 -4.37 119.66 120.42 2af2 s GLN 15 Ca 0.05 -0.58 -0.14 0.00 -0.00 0.00 0.00 55.36 54.68 2af2 s GLN 15 Cb -0.14 0.59 0.02 0.00 0.00 0.00 0.00 33.01 33.47 2af2 s GLN 15 CO -0.02 -0.61 0.62 0.20 0.00 0.00 0.00 175.29 175.48 2af2 s GLY 16 N -2.78 0.48 -0.05 2.60 0.00 -0.84 -0.47 107.32 106.25 2af2 s GLY 16 Ca 0.03 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.00 2af2 s GLY 16 CO -0.08 -0.46 -0.17 -0.26 0.00 0.00 0.00 173.10 172.13 2af2 s ILE 17 N -3.39 1.40 -0.24 0.90 -5.25 -1.10 -0.82 121.20 112.70 2af2 s ILE 17 Ca 0.19 -0.69 -0.04 0.00 -0.99 0.00 0.00 60.65 59.13 2af2 s ILE 17 Cb -0.03 -1.22 0.08 0.00 2.95 0.00 0.00 42.46 44.24 2af2 s ILE 17 CO 0.11 0.41 0.09 -0.63 -1.79 0.00 0.00 174.94 173.13 2af2 s ILE 18 N 0.16 0.20 0.69 8.37 -1.09 0.23 -2.81 121.20 126.94 2af2 s ILE 18 Ca -0.06 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.61 2af2 s ILE 18 Cb -0.12 -0.97 0.00 0.00 -1.58 0.00 0.00 42.46 39.79 2af2 s ILE 18 CO 0.03 -0.47 1.06 0.20 -1.23 0.00 0.00 174.94 174.53 2af2 s ASN 19 N 1.99 5.52 -0.17 3.58 0.02 0.45 -0.53 114.94 125.80 2af2 s ASN 19 Ca 0.05 1.40 -0.04 0.00 -1.02 0.00 0.00 52.86 53.25 2af2 s ASN 19 Cb -0.16 -2.29 0.06 0.00 0.02 0.00 0.00 41.25 38.87 2af2 s ASN 19 CO -0.20 -1.32 0.06 -0.36 0.02 0.00 0.00 177.10 175.29 2af2 s PHE 20 N -3.17 0.60 -0.04 2.20 0.40 -1.22 -1.36 117.98 115.40 2af2 s PHE 20 Ca 0.58 -0.52 -0.17 0.00 -0.60 0.00 0.00 56.93 56.21 2af2 s PHE 20 Cb -0.12 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2af2 s PHE 20 CO 0.54 -0.53 0.48 -1.83 0.70 0.00 0.00 175.22 174.58 2af2 s GLU 21 N 2.00 4.17 0.03 0.44 4.04 -0.26 -0.72 118.70 128.40 2af2 s GLU 21 Ca 0.01 0.51 0.04 0.00 0.04 0.00 0.00 54.97 55.57 2af2 s GLU 21 Cb -0.16 -3.32 -0.02 0.00 0.02 0.00 0.00 34.13 30.65 2af2 s GLU 21 CO -0.08 0.44 -0.12 -1.14 -1.84 0.00 0.00 175.26 172.52 2af2 s GLN 22 N -0.32 0.78 -0.11 -4.83 2.00 -1.23 -2.02 119.66 113.92 2af2 s GLN 22 Ca 0.26 -0.69 0.05 0.00 -2.00 0.00 0.00 55.36 52.98 2af2 s GLN 22 Cb -0.17 -0.73 -0.24 0.00 0.80 0.00 0.00 33.01 32.67 2af2 s GLN 22 CO 0.13 0.18 0.38 0.36 -0.50 0.00 0.00 175.29 175.84 2af2 n LYS 23 N 1.93 0.69 0.00 1.67 0.00 -1.26 -2.38 118.16 118.81 2af2 n LYS 23 Ca -0.18 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2af2 n LYS 23 Cb 0.55 -1.70 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 2af2 n LYS 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2af2 n GLU 24 N -3.19 0.00 0.00 -1.58 -0.00 -1.26 -4.94 120.64 109.67 2af2 n GLU 24 Ca -0.28 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.02 2af2 n GLU 24 Cb 1.06 0.00 0.38 0.00 -0.00 0.00 0.00 31.44 32.87 2af2 n GLU 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2af2 n SER 25 N 0.00 1.97 0.00 -1.84 3.41 -1.26 -4.24 113.62 111.66 2af2 n SER 25 Ca 0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 2af2 n SER 25 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.52 0.00 -4.50 4.04 0.23 -1.26 -4.77 115.26 109.53 2af2 n ASN 26 Ca 0.17 -0.13 -0.29 0.00 -0.53 0.00 0.00 54.58 53.80 2af2 n ASN 26 Cb 0.43 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.00 1.67 0.24 4.83 0.00 -1.26 -4.90 107.32 107.90 2af2 s GLY 27 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 2af2 s GLY 27 CO 0.00 -0.25 0.99 2.56 0.00 0.00 0.00 173.10 176.40 2af2 s PRO 28 N -5.67 4.77 -0.13 2.90 0.04 -1.26 -4.66 135.00 130.99 2af2 s PRO 28 Ca 0.68 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2af2 s PRO 28 Cb -0.08 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2af2 s PRO 28 CO 0.52 0.39 -0.03 0.08 0.04 0.00 0.00 177.00 177.99 2af2 s VAL 29 N -1.03 3.94 -0.37 -0.36 1.01 -0.72 -4.73 120.40 118.15 2af2 s VAL 29 Ca 0.43 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 2af2 s VAL 29 Cb -0.28 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 2af2 s VAL 29 CO 0.34 0.52 0.30 -0.75 0.00 0.00 0.00 175.10 175.52 2af2 s LYS 30 N 0.00 3.31 -0.14 2.72 2.20 -0.86 -2.61 119.74 124.36 2af2 s LYS 30 Ca 0.01 -0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 54.76 2af2 s LYS 30 Cb -0.13 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 2af2 s LYS 30 CO 0.03 -0.59 0.32 0.08 -0.36 0.00 0.00 175.35 174.82 2af2 s VAL 31 N 1.81 5.28 0.09 4.02 1.01 0.15 -1.10 120.40 131.66 2af2 s VAL 31 Ca 0.08 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 2af2 s VAL 31 Cb -0.18 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2af2 s VAL 31 CO 0.11 0.40 0.25 -1.66 0.00 0.00 0.00 175.10 174.20 2af2 s TRP 32 N 0.35 0.04 -5.00 5.22 -2.14 -0.46 -1.09 118.94 115.86 2af2 s TRP 32 Ca 0.18 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.53 2af2 s TRP 32 Cb -0.13 0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 2af2 s TRP 32 CO 0.05 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.18 2af2 n GLY 33 N -0.01 0.56 3.41 3.67 0.00 -0.39 -0.41 105.19 112.03 2af2 n GLY 33 Ca -0.16 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.48 -0.09 1.61 1.04 -1.12 -0.83 113.70 109.83 2af2 s SER 34 Ca 0.00 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.69 2af2 s SER 34 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2af2 s SER 34 CO 0.00 -0.73 -0.22 -0.63 0.98 0.00 0.00 173.24 172.64 2af2 s ILE 35 N -2.43 1.88 -0.00 -1.02 1.09 -0.50 -2.73 121.20 117.49 2af2 s ILE 35 Ca -0.05 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 58.61 2af2 s ILE 35 Cb -0.01 -1.63 -0.01 0.00 -1.06 0.00 0.00 42.46 39.75 2af2 s ILE 35 CO -0.01 0.52 -0.11 -0.75 -0.10 0.00 0.00 174.94 174.48 2af2 s LYS 36 N 0.31 0.90 0.00 2.79 2.20 0.38 -0.53 119.74 125.79 2af2 s LYS 36 Ca -0.16 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2af2 s LYS 36 Cb -0.17 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 2af2 s LYS 36 CO 0.07 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 2af2 n GLY 37 N 2.73 1.42 3.94 5.54 0.00 -0.60 -1.68 105.19 116.54 2af2 n GLY 37 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 2.90 0.00 0.99 1.43 -1.00 -4.67 118.68 118.33 2af2 s LEU 38 Ca 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2af2 s LEU 38 Cb 0.00 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2af2 s LEU 38 CO 0.00 -1.62 0.00 1.07 0.23 0.00 0.00 176.35 176.03 2af2 n THR 39 N -2.87 0.00 -0.88 5.49 5.66 -1.26 -4.43 114.28 115.98 2af2 n THR 39 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2af2 n THR 39 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2af2 n THR 39 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2af2 n GLU 40 N 0.00 3.06 -0.79 1.09 -0.00 -1.26 -4.38 120.64 118.35 2af2 n GLU 40 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.27 2af2 n GLU 40 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 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 5.00 -1.63 3.88 -1.84 0.00 -1.08 -4.31 105.19 105.22 2af2 n GLY 41 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.85 3.88 -0.27 0.99 1.02 -1.26 -0.47 118.68 117.72 2af2 s LEU 42 Ca 0.00 1.04 -0.00 0.00 0.02 0.00 0.00 54.13 55.19 2af2 s LEU 42 Cb 0.00 -3.91 0.14 0.00 0.02 0.00 0.00 46.19 42.45 2af2 s LEU 42 CO 0.00 -0.36 0.37 -1.00 0.02 0.00 0.00 176.35 175.39 2af2 s HIS 43 N -2.31 -0.82 0.94 0.29 3.76 0.22 -2.13 115.29 115.24 2af2 s HIS 43 Ca 0.50 0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 55.69 2af2 s HIS 43 Cb -0.10 -0.17 0.16 0.00 1.11 0.00 0.00 32.58 33.58 2af2 s HIS 43 CO 0.31 -0.88 1.14 0.20 -0.85 0.00 0.00 174.74 174.66 2af2 s GLY 44 N 2.50 1.68 -0.34 -2.22 0.00 -0.85 -0.13 107.32 107.96 2af2 s GLY 44 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2af2 s GLY 44 CO -0.26 1.00 0.25 -1.36 0.00 0.00 0.00 173.10 172.74 2af2 s PHE 45 N -2.63 0.28 -0.15 1.90 0.40 -1.08 -0.19 117.98 116.51 2af2 s PHE 45 Ca 0.67 -1.17 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 2af2 s PHE 45 Cb -0.23 -0.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 2af2 s PHE 45 CO 0.58 -0.88 -0.04 -3.38 0.70 0.00 0.00 175.22 172.21 2af2 s HIS 46 N 1.43 3.01 0.62 0.36 -3.43 -0.72 -1.68 115.29 114.87 2af2 s HIS 46 Ca 0.16 -0.30 -0.13 0.00 -0.80 0.00 0.00 55.06 53.99 2af2 s HIS 46 Cb -0.19 -1.94 -0.03 0.00 -1.43 0.00 0.00 32.58 28.98 2af2 s HIS 46 CO -0.09 -0.03 1.03 0.14 -2.00 0.00 0.00 174.74 173.80 2af2 s VAL 47 N 0.30 4.39 -0.15 -5.38 -7.23 0.24 -1.02 120.40 111.55 2af2 s VAL 47 Ca -0.04 0.88 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 2af2 s VAL 47 Cb -0.14 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.15 2af2 s VAL 47 CO 0.03 -0.91 -0.21 -1.00 -0.31 0.00 0.00 175.10 172.70 2af2 s HIS 48 N -2.95 2.71 0.55 2.82 3.76 0.17 -3.61 115.29 118.74 2af2 s HIS 48 Ca 0.58 -1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 53.84 2af2 s HIS 48 Cb -0.12 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 2af2 s HIS 48 CO 0.48 -0.67 1.19 -0.85 -0.85 0.00 0.00 174.74 174.04 2af2 n GLU 49 N 4.24 1.37 -0.82 1.40 0.00 -1.26 -2.09 120.64 123.49 2af2 n GLU 49 Ca -0.20 0.51 0.10 0.00 0.00 0.00 0.00 57.16 57.57 2af2 n GLU 49 Cb 0.51 -2.38 -0.04 0.00 0.00 0.00 0.00 31.44 29.52 2af2 n GLU 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2af2 n PHE 50 N -1.23 -2.16 -0.16 -1.84 3.72 -1.26 -4.78 117.46 109.76 2af2 n PHE 50 Ca 0.12 1.15 0.03 0.00 -0.05 0.00 0.00 57.45 58.70 2af2 n PHE 50 Cb 0.45 -1.96 0.08 0.00 -0.94 0.00 0.00 39.48 37.11 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 -3.47 3.02 1.81 1.37 0.00 -0.94 -2.36 105.19 104.63 2af2 n GLY 51 Ca -0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.12 5.75 0.00 1.61 5.68 -1.26 -3.28 116.55 124.93 2af2 n ASP 52 Ca 0.06 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 2af2 n ASP 52 Cb 0.36 -1.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 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 1.32 0.00 0.00 -1.12 0.23 -1.26 -4.97 115.26 109.46 2af2 n ASN 53 Ca 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 2af2 n ASN 53 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 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 0.00 1.36 5.53 -2.24 -1.21 -4.39 114.28 113.34 2af2 n THR 54 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2af2 n THR 54 Cb 0.00 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 68.64 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N 0.00 2.59 -0.80 6.98 0.00 -1.26 -4.21 120.51 123.81 2af2 n ALA 55 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2af2 n ALA 55 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.23 3.13 0.00 0.00 0.00 -1.26 -3.55 105.19 104.74 2af2 n GLY 56 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.93 1.18 0.00 0.00 -1.04 -1.23 -4.82 114.28 107.44 2af2 n THR 58 Ca 0.00 -1.12 0.00 0.00 -2.04 0.00 0.00 64.05 60.89 2af2 n THR 58 Cb 0.06 0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 2af2 n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2af2 n SER 59 N 0.39 0.00 -4.87 8.00 2.88 0.98 -4.99 113.62 116.01 2af2 n SER 59 Ca 0.13 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.41 2af2 n SER 59 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ALA 60 N -0.75 4.28 0.00 -1.46 0.00 0.77 -4.97 121.76 119.64 2af2 s ALA 60 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2af2 s ALA 60 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2af2 s ALA 60 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2af2 n GLY 61 N -1.64 0.41 0.00 0.00 0.00 -1.26 -3.71 105.19 98.99 2af2 n GLY 61 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2af2 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 62 N 0.00 1.52 -3.59 1.61 -0.04 -1.26 -4.42 135.00 128.82 2af2 n PRO 62 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2af2 n PRO 62 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2af2 n PRO 62 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2af2 s HIS 63 N 1.07 3.22 -0.15 0.54 -3.43 -1.24 -4.12 115.29 111.18 2af2 s HIS 63 Ca 0.00 0.10 -0.42 0.00 -0.80 0.00 0.00 55.06 53.94 2af2 s HIS 63 Cb 0.00 -2.38 -0.20 0.00 -1.43 0.00 0.00 32.58 28.57 2af2 s HIS 63 CO 0.00 -0.17 1.22 0.34 -2.00 0.00 0.00 174.74 174.13 2af2 n PHE 64 N 5.06 0.97 -1.78 0.38 7.35 -1.26 -4.95 117.46 123.23 2af2 n PHE 64 Ca -0.14 1.07 -0.02 0.00 -0.76 0.00 0.00 57.45 57.61 2af2 n PHE 64 Cb 0.52 -2.11 0.15 0.00 0.35 0.00 0.00 39.48 38.39 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2af2 n ASN 65 N 2.24 2.47 0.32 -2.13 6.94 -1.26 -4.02 115.26 119.81 2af2 n ASN 65 Ca 0.23 -3.72 0.20 0.00 -0.02 0.00 0.00 54.58 51.28 2af2 n ASN 65 Cb 0.04 -0.47 1.05 0.00 -2.36 0.00 0.00 39.78 38.03 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 1.33 0.00 0.00 -0.53 0.13 -1.94 0.11 132.00 131.10 2af2 h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2af2 h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2af2 h PRO 66 CO 0.20 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.26 2af2 n LEU 67 N -3.17 0.00 -2.62 1.56 4.77 -1.26 -4.94 117.00 111.34 2af2 n LEU 67 Ca -0.02 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 2af2 n LEU 67 Cb 0.14 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2af2 n LEU 67 CO 0.23 -0.01 0.06 -0.24 -1.33 0.00 0.00 177.39 176.10 2af2 n SER 68 N -1.09 -2.88 -2.87 -1.43 2.88 0.39 -5.00 113.62 103.61 2af2 n SER 68 Ca 0.19 -0.43 -0.11 0.00 -1.33 0.00 0.00 58.87 57.20 2af2 n SER 68 Cb 0.14 -3.58 0.01 0.00 -0.75 0.00 0.00 64.21 60.03 2af2 n SER 68 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2af2 n ARG 69 N -2.95 1.04 -1.94 -1.46 1.85 -1.26 -5.17 116.66 106.76 2af2 n ARG 69 Ca -0.15 -2.42 -0.30 0.00 -1.00 0.00 0.00 57.85 53.98 2af2 n ARG 69 Cb 0.60 2.80 0.18 0.00 -1.05 0.00 0.00 32.46 35.00 2af2 n ARG 69 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2af2 s LYS 70 N -2.29 0.74 0.87 2.89 -0.14 -1.26 -4.81 119.74 115.75 2af2 s LYS 70 Ca 0.20 -0.40 -0.14 0.00 -1.36 0.00 0.00 55.97 54.27 2af2 s LYS 70 Cb -0.04 -1.86 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 2af2 s LYS 70 CO 0.15 -2.35 0.34 1.58 -0.76 0.00 0.00 175.35 174.31 2af2 n HIS 71 N -3.72 -1.56 -1.69 3.18 -0.00 -0.52 -2.26 115.22 108.64 2af2 n HIS 71 Ca 0.15 0.25 -0.41 0.00 0.46 0.00 0.00 57.72 58.17 2af2 n HIS 71 Cb 0.60 -1.80 -0.01 0.00 -0.12 0.00 0.00 29.99 28.66 2af2 n HIS 71 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2af2 n GLY 72 N 1.72 4.43 3.71 1.57 0.00 -1.21 -3.42 105.19 111.98 2af2 n GLY 72 Ca 0.07 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 2af2 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2af2 s GLY 73 N 2.77 2.12 0.00 -0.02 0.00 -0.48 -3.02 107.32 108.70 2af2 s GLY 73 Ca 0.51 -0.57 0.14 0.00 0.00 0.00 0.00 44.72 44.80 2af2 s GLY 73 CO -0.08 0.45 1.44 -1.55 0.00 0.00 0.00 173.10 173.36 2af2 n PRO 74 N 3.85 0.84 -0.00 2.90 -0.04 -1.26 -2.31 135.00 138.97 2af2 n PRO 74 Ca -0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 2af2 n PRO 74 Cb 0.52 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.77 1.21 -5.06 0.54 -0.00 -1.26 -5.03 118.16 107.79 2af2 n LYS 75 Ca 0.11 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.13 2af2 n LYS 75 Cb 0.05 -1.33 -0.16 0.00 -0.00 0.00 0.00 35.03 33.59 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 -2.72 2.54 0.41 -5.58 -1.08 -0.98 -5.01 116.67 104.25 2af2 s ASP 76 Ca 0.06 -0.39 0.16 0.00 -0.52 0.00 0.00 52.55 51.86 2af2 s ASP 76 Cb 0.13 -0.31 0.90 0.00 -1.46 0.00 0.00 42.92 42.18 2af2 s ASP 76 CO 0.72 0.26 1.89 -0.33 0.52 0.00 0.00 175.17 178.23 2af2 h GLU 77 N 5.63 0.00 -5.22 4.34 4.39 -1.96 -3.39 114.58 118.37 2af2 h GLU 77 Ca -0.39 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.64 2af2 h GLU 77 Cb 1.14 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.62 2af2 h GLU 77 CO 0.48 0.29 0.22 -1.21 -1.16 0.00 0.00 179.01 177.63 2af2 s GLU 78 N -4.21 3.18 -0.14 2.33 0.41 -1.26 -4.99 118.70 114.02 2af2 s GLU 78 Ca -0.03 -0.73 -0.04 0.00 -0.41 0.00 0.00 54.97 53.76 2af2 s GLU 78 Cb 0.14 -4.10 0.05 0.00 -1.78 0.00 0.00 34.13 28.44 2af2 s GLU 78 CO 0.69 -1.34 0.08 0.50 -0.49 0.00 0.00 175.26 174.71 2af2 s ARG 79 N 3.07 0.03 0.71 1.61 3.52 -1.22 -4.09 118.95 122.56 2af2 s ARG 79 Ca 0.19 0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.68 2af2 s ARG 79 Cb -0.17 -1.46 0.02 0.00 -1.56 0.00 0.00 34.95 31.77 2af2 s ARG 79 CO 0.14 -0.58 1.17 0.72 -0.81 0.00 0.00 175.30 175.93 2af2 n HIS 80 N 5.29 1.37 0.27 5.12 8.25 -0.96 -4.84 115.22 129.72 2af2 n HIS 80 Ca -0.06 0.41 0.10 0.00 -0.26 0.00 0.00 57.72 57.91 2af2 n HIS 80 Cb 0.49 -2.17 0.46 0.00 1.12 0.00 0.00 29.99 29.89 2af2 n HIS 80 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2af2 n VAL 81 N -2.41 1.05 -2.34 1.59 3.14 -1.26 -4.08 118.33 114.03 2af2 n VAL 81 Ca 0.14 0.46 -0.20 0.00 -2.96 0.00 0.00 64.34 61.79 2af2 n VAL 81 Cb 0.49 -1.41 0.02 0.00 -1.06 0.00 0.00 33.84 31.88 2af2 n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2af2 n GLY 82 N -0.67 5.11 3.17 7.55 0.00 -1.26 -4.88 105.19 114.22 2af2 n GLY 82 Ca 0.01 -2.31 -0.13 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.57 -0.22 -0.74 1.61 1.01 -1.26 -0.59 116.67 112.90 2af2 s ASP 83 Ca 0.44 0.35 0.01 0.00 0.71 0.00 0.00 52.55 54.06 2af2 s ASP 83 Cb 0.40 0.46 0.36 0.00 1.01 0.00 0.00 42.92 45.14 2af2 s ASP 83 CO -0.04 -0.21 1.55 0.18 0.21 0.00 0.00 175.17 176.86 2af2 n LEU 84 N 2.36 6.23 0.00 1.23 4.77 -0.68 -4.78 117.00 126.13 2af2 n LEU 84 Ca -0.16 -5.23 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 2af2 n LEU 84 Cb 0.57 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2af2 n LEU 84 CO 0.19 2.06 0.00 0.61 -1.33 0.00 0.00 177.39 178.92 2af2 n GLY 85 N -0.35 3.15 3.13 -0.72 0.00 -1.17 -4.64 105.19 104.60 2af2 n GLY 85 Ca 0.44 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 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 0.36 0.10 1.61 2.20 -1.26 -2.64 114.94 111.30 2af2 s ASN 86 Ca 0.00 -0.90 -0.00 0.00 -0.94 0.00 0.00 52.86 51.02 2af2 s ASN 86 Cb 0.00 0.25 -0.04 0.00 -2.00 0.00 0.00 41.25 39.46 2af2 s ASN 86 CO 0.00 -0.65 0.26 0.54 -2.94 0.00 0.00 177.10 174.31 2af2 s VAL 87 N -3.91 5.33 -0.08 3.54 0.11 0.81 -4.91 120.40 121.30 2af2 s VAL 87 Ca 0.08 -0.40 -0.01 0.00 -2.93 0.00 0.00 61.98 58.72 2af2 s VAL 87 Cb 0.07 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2af2 s VAL 87 CO -0.09 0.05 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.82 2af2 s THR 88 N -1.61 0.48 0.09 5.04 2.01 -1.26 0.72 115.64 121.12 2af2 s THR 88 Ca 0.36 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 2af2 s THR 88 Cb -0.12 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 2af2 s THR 88 CO 0.28 0.27 0.60 0.00 -0.69 0.00 0.00 174.62 175.08 2af2 s ALA 89 N 1.84 3.57 0.59 7.40 0.00 0.38 -4.07 121.76 131.47 2af2 s ALA 89 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 2af2 s ALA 89 Cb -0.12 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2af2 s ALA 89 CO -0.05 0.38 0.97 0.34 0.00 0.00 0.00 175.76 177.40 2af2 s ASP 90 N -1.14 6.23 0.64 0.00 2.15 0.60 -2.62 116.67 122.52 2af2 s ASP 90 Ca 0.30 1.29 0.30 0.00 0.43 0.00 0.00 52.55 54.87 2af2 s ASP 90 Cb -0.20 -2.40 1.60 0.00 -0.30 0.00 0.00 42.92 41.62 2af2 s ASP 90 CO 0.20 -0.80 1.94 0.07 -0.17 0.00 0.00 175.17 176.41 2af2 h LYS 91 N -0.18 0.00 0.00 4.34 -0.00 -1.86 0.20 116.57 119.06 2af2 h LYS 91 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2af2 h LYS 91 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 2af2 h LYS 91 CO 0.62 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.82 2af2 n ASP 92 N -3.19 0.00 0.00 7.07 8.00 -1.26 -4.90 116.55 122.27 2af2 n ASP 92 Ca 0.01 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2af2 n ASP 92 Cb 0.45 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.81 0.67 3.60 0.44 0.00 0.06 -4.93 105.19 105.83 2af2 n GLY 93 Ca 0.15 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 3.97 -0.16 1.61 0.11 -1.23 -1.56 120.40 121.15 2af2 s VAL 94 Ca 0.00 -0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 2af2 s VAL 94 Cb 0.00 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2af2 s VAL 94 CO 0.00 0.58 -0.01 0.00 -3.33 0.00 0.00 175.10 172.33 2af2 s ALA 95 N -0.55 3.11 0.42 1.54 0.00 0.31 -0.29 121.76 126.29 2af2 s ALA 95 Ca 0.09 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2af2 s ALA 95 Cb -0.12 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 2af2 s ALA 95 CO 0.02 0.23 0.88 0.34 0.00 0.00 0.00 175.76 177.23 2af2 s ASP 96 N 0.29 6.77 -0.04 0.00 2.15 -1.26 -1.41 116.67 123.16 2af2 s ASP 96 Ca -0.02 1.48 0.01 0.00 0.43 0.00 0.00 52.55 54.46 2af2 s ASP 96 Cb -0.14 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2af2 s ASP 96 CO 0.02 -0.38 -0.05 0.54 -0.17 0.00 0.00 175.17 175.14 2af2 s VAL 97 N -2.26 0.57 -0.42 1.11 0.11 -0.01 -4.55 120.40 114.95 2af2 s VAL 97 Ca 0.58 -0.14 0.09 0.00 -2.93 0.00 0.00 61.98 59.57 2af2 s VAL 97 Cb -0.10 -0.59 0.37 0.00 -1.53 0.00 0.00 36.38 34.54 2af2 s VAL 97 CO 0.21 0.23 1.22 -1.54 -3.33 0.00 0.00 175.10 171.89 2af2 n SER 98 N 4.02 -1.73 -4.74 3.54 3.41 -1.24 -1.26 113.62 115.62 2af2 n SER 98 Ca -0.25 -2.95 -0.27 0.00 -0.26 0.00 0.00 58.87 55.14 2af2 n SER 98 Cb 0.51 1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 65.57 2af2 n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2af2 s ILE 99 N -0.10 4.17 -0.01 -1.33 1.09 -0.25 -4.94 121.20 119.82 2af2 s ILE 99 Ca 0.23 -1.16 0.04 0.00 -1.10 0.00 0.00 60.65 58.66 2af2 s ILE 99 Cb 0.36 -3.09 -0.01 0.00 -1.06 0.00 0.00 42.46 38.66 2af2 s ILE 99 CO -0.07 -0.06 -0.14 -0.70 -0.10 0.00 0.00 174.94 173.87 2af2 s GLU 100 N -2.90 1.14 -0.03 2.79 2.12 -1.26 0.33 118.70 120.89 2af2 s GLU 100 Ca 0.29 -0.50 -0.15 0.00 0.36 0.00 0.00 54.97 54.97 2af2 s GLU 100 Cb -0.10 -1.10 0.03 0.00 0.26 0.00 0.00 34.13 33.22 2af2 s GLU 100 CO 0.21 0.30 0.33 0.34 -0.54 0.00 0.00 175.26 175.90 2af2 s ASP 101 N -0.32 -0.24 -0.79 -1.70 -1.08 -1.07 -4.99 116.67 106.49 2af2 s ASP 101 Ca 0.05 0.20 0.01 0.00 -0.52 0.00 0.00 52.55 52.30 2af2 s ASP 101 Cb -0.05 0.38 0.35 0.00 -1.46 0.00 0.00 42.92 42.14 2af2 s ASP 101 CO -0.00 -0.41 1.58 -1.54 0.52 0.00 0.00 175.17 175.32 2af2 n SER 102 N 1.49 6.38 -0.07 -0.34 3.41 -1.26 -1.75 113.62 121.48 2af2 n SER 102 Ca -0.20 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.67 2af2 n SER 102 Cb 0.56 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 -0.30 0.00 -3.74 -3.33 3.14 -1.26 -4.95 118.33 107.89 2af2 n VAL 103 Ca 0.44 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.72 2af2 n VAL 103 Cb 0.34 0.35 -0.05 0.00 -1.06 0.00 0.00 33.84 33.43 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 2af2 s ILE 104 N 0.00 0.05 0.15 1.55 -0.00 -1.26 -4.83 121.20 116.86 2af2 s ILE 104 Ca 0.00 -0.81 -0.17 0.00 -0.00 0.00 0.00 60.65 59.67 2af2 s ILE 104 Cb 0.00 -1.47 0.04 0.00 -0.00 0.00 0.00 42.46 41.02 2af2 s ILE 104 CO 0.00 -0.22 0.47 -0.44 -0.00 0.00 0.00 174.94 174.75 2af2 s SER 105 N -2.86 -0.29 -1.22 4.36 0.01 -1.26 -4.49 113.70 107.94 2af2 s SER 105 Ca 0.08 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 2af2 s SER 105 Cb 0.01 0.53 0.18 0.00 0.21 0.00 0.00 66.02 66.94 2af2 s SER 105 CO -0.06 -0.94 1.53 -0.11 0.41 0.00 0.00 173.24 174.08 2af2 n LEU 106 N -0.29 5.57 0.00 2.44 0.00 -1.26 -2.11 117.00 121.35 2af2 n LEU 106 Ca -0.14 -4.53 0.00 0.00 0.00 0.00 0.00 56.01 51.34 2af2 n LEU 106 Cb 0.63 -1.58 0.00 0.00 0.00 0.00 0.00 43.42 42.48 2af2 n LEU 106 CO 0.16 0.91 0.00 -0.24 0.00 0.00 0.00 177.39 178.22 2af2 n SER 107 N 5.10 0.00 -0.74 1.96 2.88 -1.26 -4.87 113.62 116.69 2af2 n SER 107 Ca 0.37 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.93 2af2 n SER 107 Cb 0.41 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 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 5.00 1.14 0.66 0.46 0.00 -1.26 -4.51 105.19 106.68 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 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 109 N -0.02 0.00 -1.03 1.61 5.68 -0.76 -4.34 116.55 117.69 2af2 n ASP 109 Ca 0.04 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.41 2af2 n ASP 109 Cb 0.82 0.16 0.24 0.00 -1.14 0.00 0.00 41.12 41.20 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2af2 n HIS 110 N -1.82 0.79 0.00 2.11 8.25 -1.25 -3.66 115.22 119.63 2af2 n HIS 110 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 2af2 n HIS 110 Cb 0.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 0.97 0.00 -0.08 0.41 7.64 -1.26 -5.00 113.62 116.29 2af2 n SER 111 Ca 0.18 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.97 2af2 n SER 111 Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 2af2 n SER 111 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2af2 h ILE 112 N 0.00 0.24 -4.03 0.44 3.07 -1.76 -3.43 117.51 112.04 2af2 h ILE 112 Ca 0.00 -1.31 -0.54 0.00 1.55 0.00 0.00 64.86 64.55 2af2 h ILE 112 Cb 0.00 0.59 0.12 0.00 -0.27 0.00 0.00 36.82 37.27 2af2 h ILE 112 CO 0.00 0.08 0.61 -0.63 -1.05 0.00 0.00 178.15 177.16 2af2 s ILE 113 N -2.26 2.21 0.00 0.16 -1.09 -1.26 -3.43 121.20 115.53 2af2 s ILE 113 Ca -0.18 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2af2 s ILE 113 Cb 0.03 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 2af2 s ILE 113 CO 0.31 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2af2 n GLY 114 N 0.67 2.75 3.92 6.18 0.00 -1.25 -1.83 105.19 115.63 2af2 n GLY 114 Ca 0.09 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2af2 n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2af2 s ARG 115 N 0.00 2.09 0.50 1.61 1.70 -1.22 -2.22 118.95 121.40 2af2 s ARG 115 Ca 0.00 -0.12 0.03 0.00 -0.47 0.00 0.00 55.73 55.17 2af2 s ARG 115 Cb 0.00 -2.08 -0.02 0.00 -0.57 0.00 0.00 34.95 32.28 2af2 s ARG 115 CO 0.00 -1.39 0.04 -0.08 -1.08 0.00 0.00 175.30 172.79 2af2 s THR 116 N -3.38 1.36 -0.23 4.99 -1.32 -0.89 -2.57 115.64 113.59 2af2 s THR 116 Ca 0.61 -1.95 -0.19 0.00 -1.21 0.00 0.00 61.69 58.95 2af2 s THR 116 Cb -0.11 -2.31 0.06 0.00 -1.51 0.00 0.00 72.50 68.64 2af2 s THR 116 CO 0.46 0.00 0.60 -0.22 -2.21 0.00 0.00 174.62 173.26 2af2 s LEU 117 N -3.89 -0.43 -0.10 9.08 2.96 -0.81 -0.66 118.68 124.84 2af2 s LEU 117 Ca 0.13 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 2af2 s LEU 117 Cb 0.03 2.06 -0.02 0.00 0.50 0.00 0.00 46.19 48.75 2af2 s LEU 117 CO 0.07 -0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.10 2af2 s VAL 118 N 0.74 3.41 0.22 1.68 1.01 -0.19 -1.06 120.40 126.22 2af2 s VAL 118 Ca -0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2af2 s VAL 118 Cb -0.05 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2af2 s VAL 118 CO -0.05 0.56 0.48 0.68 0.00 0.00 0.00 175.10 176.76 2af2 s VAL 119 N -0.26 5.06 0.04 2.92 -7.23 0.26 -1.76 120.40 119.43 2af2 s VAL 119 Ca 0.03 0.13 0.09 0.00 -1.81 0.00 0.00 61.98 60.41 2af2 s VAL 119 Cb -0.13 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 2af2 s VAL 119 CO 0.03 -0.12 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.44 2af2 s HIS 120 N -1.85 2.36 -0.58 2.82 3.76 0.74 -0.70 115.29 121.84 2af2 s HIS 120 Ca 0.43 -0.39 0.24 0.00 -0.15 0.00 0.00 55.06 55.20 2af2 s HIS 120 Cb -0.11 -1.41 0.46 0.00 1.11 0.00 0.00 32.58 32.63 2af2 s HIS 120 CO 0.26 0.13 1.51 1.05 -0.85 0.00 0.00 174.74 176.84 2af2 h GLU 121 N 4.81 0.00 -6.41 1.40 -0.00 -1.52 -3.30 114.58 109.57 2af2 h GLU 121 Ca -0.46 0.00 -0.45 0.00 -0.00 0.00 0.00 59.36 58.45 2af2 h GLU 121 Cb 1.14 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.90 2af2 h GLU 121 CO 0.44 0.00 -0.29 0.15 -0.00 0.00 0.00 179.01 179.32 2af2 s LYS 122 N -3.18 3.17 1.04 1.06 3.01 -1.25 -4.82 119.74 118.77 2af2 s LYS 122 Ca 0.07 -0.81 -0.13 0.00 -1.01 0.00 0.00 55.97 54.09 2af2 s LYS 122 Cb 0.11 -2.76 0.16 0.00 -1.01 0.00 0.00 37.83 34.33 2af2 s LYS 122 CO 0.67 0.04 0.77 0.00 0.51 0.00 0.00 175.35 177.34 2af2 n ALA 123 N -1.72 -2.36 -2.44 5.17 0.00 -0.90 -2.01 120.51 116.25 2af2 n ALA 123 Ca -0.01 -0.87 -0.27 0.00 0.00 0.00 0.00 53.44 52.28 2af2 n ALA 123 Cb 0.58 -1.95 -0.15 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.31 2.44 0.19 0.00 -1.08 -1.26 -4.07 116.67 110.58 2af2 s ASP 124 Ca 0.64 -0.40 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 2af2 s ASP 124 Cb -0.22 -0.26 0.09 0.00 -1.46 0.00 0.00 42.92 41.08 2af2 s ASP 124 CO 0.63 0.24 1.45 -0.78 0.52 0.00 0.00 175.17 177.23 2af2 h ASP 125 N 5.47 0.42 0.00 -0.34 1.82 -1.18 -3.48 116.42 119.12 2af2 h ASP 125 Ca -0.40 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 55.97 2af2 h ASP 125 Cb 1.14 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2af2 h ASP 125 CO 0.47 1.00 0.00 0.18 -1.61 0.00 0.00 179.24 179.28 2af2 n LEU 126 N -3.83 0.00 0.00 2.28 4.77 -1.26 -4.65 117.00 114.31 2af2 n LEU 126 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2af2 n LEU 126 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2af2 n LEU 126 CO 0.47 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2af2 n GLY 127 N -1.13 0.05 3.56 -0.72 0.00 -1.26 -1.38 105.19 104.32 2af2 n GLY 127 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.76 0.00 1.61 2.20 -1.26 -1.44 119.74 121.61 2af2 s LYS 128 Ca 0.00 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 2af2 s LYS 128 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 2af2 s LYS 128 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2af2 n GLY 129 N 2.85 2.71 0.10 5.54 0.00 -1.26 -5.05 105.19 110.08 2af2 n GLY 129 Ca -0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 3.19 -0.83 3.76 -0.02 0.00 -1.26 -5.02 105.19 105.00 2af2 n GLY 130 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -6.31 4.38 0.10 1.61 2.20 -1.26 -5.04 114.94 110.62 2af2 s ASN 131 Ca -0.13 -1.19 -0.28 0.00 -0.94 0.00 0.00 52.86 50.33 2af2 s ASN 131 Cb 0.07 -0.24 -0.11 0.00 -2.00 0.00 0.00 41.25 38.97 2af2 s ASN 131 CO 0.79 -0.65 1.46 -0.08 -2.94 0.00 0.00 177.10 175.68 2af2 h GLU 132 N 1.35 -0.47 -0.99 3.55 4.81 -2.01 -2.86 114.58 117.96 2af2 h GLU 132 Ca -0.42 0.03 0.35 0.00 -0.13 0.00 0.00 59.36 59.19 2af2 h GLU 132 Cb 1.27 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 30.58 2af2 h GLU 132 CO 0.69 -0.31 0.39 0.93 -0.73 0.00 0.00 179.01 179.98 2af2 h GLU 133 N -0.49 0.06 -0.42 1.92 5.08 -1.97 0.27 114.58 119.03 2af2 h GLU 133 Ca 0.03 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2af2 h GLU 133 Cb 0.57 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2af2 h GLU 133 CO -0.36 0.04 0.33 0.66 -1.00 0.00 0.00 179.01 178.67 2af2 h SER 134 N 0.06 0.00 0.09 1.42 4.64 -1.81 0.36 113.55 118.31 2af2 h SER 134 Ca 0.75 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.71 2af2 h SER 134 Cb 1.82 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.85 2af2 h SER 134 CO -0.78 0.00 -2.27 0.35 -0.87 0.00 0.00 176.83 173.25 2af2 n THR 135 N -4.23 1.47 0.54 2.95 -2.24 -0.11 -3.42 114.28 109.24 2af2 n THR 135 Ca 0.07 -0.78 0.12 0.00 -2.27 0.00 0.00 64.05 61.19 2af2 n THR 135 Cb 0.52 -0.83 0.09 0.00 -2.10 0.00 0.00 70.33 68.02 2af2 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2af2 n LYS 136 N -2.95 0.31 0.00 -0.78 4.81 -0.12 -4.31 118.16 115.12 2af2 n LYS 136 Ca -0.33 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.16 2af2 n LYS 136 Cb 1.10 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 34.50 2af2 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2af2 n THR 137 N -2.08 0.00 -0.45 3.15 -2.24 0.11 -4.77 114.28 108.00 2af2 n THR 137 Ca 0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2af2 n THR 137 Cb 0.45 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.26 0.76 2.31 3.38 0.00 0.10 -3.96 105.19 108.04 2af2 n GLY 138 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 0.20 -4.11 0.00 1.61 2.85 -0.45 -0.75 115.26 114.61 2af2 n ASN 139 Ca 0.00 0.22 0.02 0.00 -0.11 0.00 0.00 54.58 54.71 2af2 n ASN 139 Cb 0.00 -3.58 0.11 0.00 1.24 0.00 0.00 39.78 37.55 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 -1.23 1.91 0.00 5.20 0.00 -1.25 -4.57 120.51 120.56 2af2 n ALA 140 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2af2 n ALA 140 Cb 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.15 0.43 3.64 0.00 0.00 -1.26 -3.87 105.19 103.99 2af2 n GLY 141 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2af2 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2af2 s SER 142 N 0.00 -0.15 0.96 1.61 0.15 -1.26 -4.95 113.70 110.05 2af2 s SER 142 Ca 0.00 0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.79 2af2 s SER 142 Cb 0.00 0.29 0.17 0.00 -1.71 0.00 0.00 66.02 64.77 2af2 s SER 142 CO 0.00 -0.06 1.22 0.00 1.20 0.00 0.00 173.24 175.61 2af2 s ARG 143 N 0.01 0.75 0.00 5.44 1.70 -1.26 -2.19 118.95 123.39 2af2 s ARG 143 Ca 0.06 -0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 2af2 s ARG 143 Cb -0.05 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.50 2af2 s ARG 143 CO -0.13 -2.39 0.00 -0.11 -1.08 0.00 0.00 175.30 171.59 2af2 n LEU 144 N -3.82 0.00 -4.67 -1.89 0.00 0.13 -3.70 117.00 103.04 2af2 n LEU 144 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.83 2af2 n LEU 144 Cb 0.60 0.00 0.17 0.00 0.00 0.00 0.00 43.42 44.19 2af2 n LEU 144 CO 0.50 0.00 0.64 0.00 0.00 0.00 0.00 177.39 178.53 2af2 s ALA 145 N -1.37 1.02 0.03 1.96 0.00 -1.25 -4.72 121.76 117.42 2af2 s ALA 145 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 2af2 s ALA 145 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2af2 s ALA 145 CO 0.00 -2.78 -0.02 0.00 0.00 0.00 0.00 175.76 172.96 2af2 s GLY 147 N -1.93 -0.53 0.75 0.00 0.00 -0.22 -1.65 107.32 103.73 2af2 s GLY 147 Ca -0.09 1.90 -0.11 0.00 0.00 0.00 0.00 44.72 46.42 2af2 s GLY 147 CO -0.04 1.62 1.08 0.54 0.00 0.00 0.00 173.10 176.30 2af2 s VAL 148 N 0.19 3.45 -0.77 1.40 0.11 -1.26 -1.92 120.40 121.60 2af2 s VAL 148 Ca -0.01 0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 59.32 2af2 s VAL 148 Cb -0.04 -3.25 0.13 0.00 -1.53 0.00 0.00 36.38 31.68 2af2 s VAL 148 CO 0.02 -0.61 0.90 -0.63 -3.33 0.00 0.00 175.10 171.45 2af2 s ILE 149 N -3.15 4.89 0.75 7.04 -1.09 -1.06 -4.34 121.20 124.24 2af2 s ILE 149 Ca 0.59 -1.43 -0.06 0.00 -2.23 0.00 0.00 60.65 57.52 2af2 s ILE 149 Cb -0.14 -4.62 0.16 0.00 -1.58 0.00 0.00 42.46 36.29 2af2 s ILE 149 CO 0.54 -1.29 1.03 0.61 -1.23 0.00 0.00 174.94 174.60 2af2 n GLY 150 N 5.11 -0.22 3.38 6.18 0.00 0.09 -3.77 105.19 115.97 2af2 n GLY 150 Ca 0.08 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 2af2 n GLY 150 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2af2 s ILE 151 N -3.12 3.07 -1.96 -0.61 -5.25 -1.26 -0.46 121.20 111.60 2af2 s ILE 151 Ca 0.63 -0.66 0.27 0.00 -0.99 0.00 0.00 60.65 59.90 2af2 s ILE 151 Cb -0.03 -2.28 0.38 0.00 2.95 0.00 0.00 42.46 43.48 2af2 s ILE 151 CO 0.43 0.53 1.65 0.00 -1.79 0.00 0.00 174.94 175.76 2af2 n ALA 152 N 3.45 2.90 1.04 2.27 0.00 -1.26 -4.83 120.51 124.08 2af2 n ALA 152 Ca -0.18 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 52.98 2af2 n ALA 152 Cb 0.53 -1.17 0.14 0.00 0.00 0.00 0.00 19.45 18.95 2af2 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54