#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 1.56 -2.91 0.00 -1.04 -0.92 -4.65 114.28 106.32 2af2 n THR 2 Ca 0.00 -4.56 -0.43 0.00 -2.04 0.00 0.00 64.05 57.02 2af2 n THR 2 Cb 0.00 -0.57 -0.05 0.00 -1.82 0.00 0.00 70.33 67.89 2af2 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2af2 s LYS 3 N -3.13 3.34 0.53 -2.82 2.20 -0.42 -2.13 119.74 117.30 2af2 s LYS 3 Ca 0.41 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2af2 s LYS 3 Cb 0.37 -4.02 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2af2 s LYS 3 CO -0.09 -1.34 0.77 0.00 -0.36 0.00 0.00 175.35 174.32 2af2 s ALA 4 N 3.60 3.73 -0.06 3.13 0.00 0.38 -1.83 121.76 130.72 2af2 s ALA 4 Ca 0.29 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 2af2 s ALA 4 Cb -0.13 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 20.87 2af2 s ALA 4 CO 0.20 -0.66 0.66 0.54 0.00 0.00 0.00 175.76 176.50 2af2 s VAL 5 N -2.74 0.00 -0.04 0.00 0.11 0.49 -1.25 120.40 116.97 2af2 s VAL 5 Ca 0.54 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.54 2af2 s VAL 5 Cb -0.10 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2af2 s VAL 5 CO 0.39 -0.01 0.07 0.00 -3.33 0.00 0.00 175.10 172.21 2af2 s ALA 6 N -1.08 0.18 -0.53 1.54 0.00 -0.72 -1.09 121.76 120.07 2af2 s ALA 6 Ca -0.10 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 2af2 s ALA 6 Cb -0.01 -0.59 0.13 0.00 0.00 0.00 0.00 23.12 22.65 2af2 s ALA 6 CO 0.09 -0.45 0.44 0.14 0.00 0.00 0.00 175.76 175.98 2af2 s VAL 7 N 2.05 4.70 -0.32 0.00 -7.23 -1.26 -1.82 120.40 116.52 2af2 s VAL 7 Ca 0.03 -1.74 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 2af2 s VAL 7 Cb -0.12 -4.04 0.02 0.00 0.56 0.00 0.00 36.38 32.79 2af2 s VAL 7 CO -0.03 -0.83 1.03 -0.76 -0.31 0.00 0.00 175.10 174.20 2af2 s LEU 8 N 1.35 3.95 0.06 1.32 1.02 0.62 -4.27 118.68 122.73 2af2 s LEU 8 Ca 0.06 0.97 -0.07 0.00 0.02 0.00 0.00 54.13 55.11 2af2 s LEU 8 Cb -0.27 -3.47 -0.01 0.00 0.02 0.00 0.00 46.19 42.46 2af2 s LEU 8 CO 0.00 -0.85 0.13 -0.54 0.02 0.00 0.00 176.35 175.10 2af2 s LYS 9 N 3.57 0.70 0.00 1.70 1.02 -0.56 -0.60 119.74 125.57 2af2 s LYS 9 Ca 0.43 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2af2 s LYS 9 Cb -0.12 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2af2 s LYS 9 CO 0.15 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 2af2 n GLY 10 N 0.35 1.56 2.42 -3.33 0.00 -1.26 -3.56 105.19 101.36 2af2 n GLY 10 Ca -0.17 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2af2 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 11 N 0.00 7.54 0.00 1.61 9.92 -1.26 -4.91 116.55 129.45 2af2 n ASP 11 Ca 0.00 -2.57 0.00 0.00 -0.53 0.00 0.00 54.79 51.69 2af2 n ASP 11 Cb 0.00 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.98 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 3.69 0.53 0.03 0.44 0.00 -1.26 -0.76 105.19 107.85 2af2 n GLY 12 Ca 0.70 0.78 0.14 0.00 0.00 0.00 0.00 46.02 47.65 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 0.30 -3.08 1.61 -0.04 -1.26 -4.85 135.00 127.67 2af2 n PRO 13 Ca 0.00 -0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.01 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 -2.74 4.73 0.01 0.52 1.01 0.06 -4.42 120.40 119.57 2af2 s VAL 14 Ca 0.22 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 2af2 s VAL 14 Cb 0.19 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2af2 s VAL 14 CO 0.51 0.43 0.26 0.00 0.00 0.00 0.00 175.10 176.30 2af2 s GLN 15 N -0.37 0.66 -0.38 2.72 0.00 -0.22 -4.28 119.66 117.79 2af2 s GLN 15 Ca 0.35 -0.34 0.03 0.00 -0.00 0.00 0.00 55.36 55.39 2af2 s GLN 15 Cb -0.20 0.29 0.11 0.00 0.00 0.00 0.00 33.01 33.20 2af2 s GLN 15 CO 0.21 -0.19 0.10 0.20 0.00 0.00 0.00 175.29 175.62 2af2 s GLY 16 N -1.56 2.01 -0.42 2.60 0.00 0.23 -0.40 107.32 109.77 2af2 s GLY 16 Ca -0.11 -2.63 -0.21 0.00 0.00 0.00 0.00 44.72 41.77 2af2 s GLY 16 CO 0.01 0.96 0.65 -1.50 0.00 0.00 0.00 173.10 173.23 2af2 s ILE 17 N 0.80 4.82 0.15 0.90 1.10 -0.91 -0.27 121.20 127.78 2af2 s ILE 17 Ca 0.11 0.22 0.07 0.00 -0.51 0.00 0.00 60.65 60.55 2af2 s ILE 17 Cb -0.20 -4.19 -0.04 0.00 0.15 0.00 0.00 42.46 38.17 2af2 s ILE 17 CO -0.06 -0.56 -0.16 0.27 -2.11 0.00 0.00 174.94 172.31 2af2 s ILE 18 N 2.84 1.59 0.12 2.00 -5.25 -0.75 -0.62 121.20 121.13 2af2 s ILE 18 Ca 0.23 -1.84 0.05 0.00 -0.99 0.00 0.00 60.65 58.10 2af2 s ILE 18 Cb -0.14 -1.72 -0.04 0.00 2.95 0.00 0.00 42.46 43.52 2af2 s ILE 18 CO 0.19 -0.38 -0.12 0.20 -1.79 0.00 0.00 174.94 173.04 2af2 s ASN 19 N -2.60 1.79 -0.15 4.36 0.02 -0.57 -1.75 114.94 116.04 2af2 s ASN 19 Ca 0.13 -0.86 0.01 0.00 -1.02 0.00 0.00 52.86 51.11 2af2 s ASN 19 Cb -0.05 -0.03 0.02 0.00 0.02 0.00 0.00 41.25 41.21 2af2 s ASN 19 CO 0.05 -0.22 -0.15 -0.36 0.02 0.00 0.00 177.10 176.43 2af2 s PHE 20 N -2.52 2.25 -0.28 2.20 0.08 -0.38 -2.41 117.98 116.93 2af2 s PHE 20 Ca 0.10 -1.26 -0.12 0.00 0.12 0.00 0.00 56.93 55.76 2af2 s PHE 20 Cb -0.02 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2af2 s PHE 20 CO 0.02 -0.68 0.26 -2.00 -0.10 0.00 0.00 175.22 172.72 2af2 s GLU 21 N 1.41 3.96 0.24 0.44 -6.30 -0.67 -0.47 118.70 117.31 2af2 s GLU 21 Ca 0.04 -0.20 0.01 0.00 -2.50 0.00 0.00 54.97 52.31 2af2 s GLU 21 Cb -0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 34.13 30.29 2af2 s GLU 21 CO -0.10 -0.22 0.12 -1.14 0.02 0.00 0.00 175.26 173.93 2af2 s GLN 22 N 1.87 1.34 0.00 4.30 2.00 -0.91 -2.72 119.66 125.55 2af2 s GLN 22 Ca 0.10 -1.72 0.00 0.00 -2.00 0.00 0.00 55.36 51.74 2af2 s GLN 22 Cb -0.16 -0.02 0.00 0.00 0.80 0.00 0.00 33.01 33.63 2af2 s GLN 22 CO 0.11 -0.35 0.00 0.36 -0.50 0.00 0.00 175.29 174.90 2af2 n LYS 23 N -0.39 0.00 -2.71 1.67 0.00 -1.26 -3.45 118.16 112.01 2af2 n LYS 23 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.89 2af2 n LYS 23 Cb 0.66 -0.21 -0.03 0.00 -0.00 0.00 0.00 35.03 35.46 2af2 n LYS 23 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2af2 s GLU 24 N -1.72 4.01 0.00 -1.58 8.01 -1.26 -4.91 118.70 121.25 2af2 s GLU 24 Ca 0.00 0.91 0.13 0.00 0.01 0.00 0.00 54.97 56.02 2af2 s GLU 24 Cb 0.00 -3.75 0.54 0.00 -4.31 0.00 0.00 34.13 26.61 2af2 s GLU 24 CO 0.00 -0.88 1.39 0.45 0.01 0.00 0.00 175.26 176.23 2af2 n SER 25 N 6.77 0.00 -0.31 -0.19 2.88 -1.26 -1.78 113.62 119.72 2af2 n SER 25 Ca 0.10 0.47 0.05 0.00 -1.33 0.00 0.00 58.87 58.16 2af2 n SER 25 Cb 0.47 -0.48 0.02 0.00 -0.75 0.00 0.00 64.21 63.47 2af2 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2af2 n ASN 26 N -1.48 1.49 -4.76 -3.46 0.23 -1.26 -4.00 115.26 102.02 2af2 n ASN 26 Ca 0.03 -1.25 -0.23 0.00 -0.53 0.00 0.00 54.58 52.61 2af2 n ASN 26 Cb 0.14 0.29 0.09 0.00 -2.08 0.00 0.00 39.78 38.23 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 -1.22 1.77 0.72 4.83 0.00 -0.73 -5.01 107.32 107.68 2af2 s GLY 27 Ca 0.10 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 2af2 s GLY 27 CO 0.22 -1.14 1.08 2.56 0.00 0.00 0.00 173.10 175.82 2af2 s PRO 28 N -5.05 2.76 0.02 2.90 0.04 -1.26 -4.53 135.00 129.87 2af2 s PRO 28 Ca 0.64 0.64 0.01 0.00 0.04 0.00 0.00 61.00 62.33 2af2 s PRO 28 Cb -0.06 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2af2 s PRO 28 CO 0.43 -1.14 -0.04 0.08 0.04 0.00 0.00 177.00 176.37 2af2 s VAL 29 N -3.22 0.26 -0.22 -0.36 1.01 -0.62 -4.92 120.40 112.33 2af2 s VAL 29 Ca 0.58 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 2af2 s VAL 29 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2af2 s VAL 29 CO 0.53 -0.22 0.83 -0.54 0.00 0.00 0.00 175.10 175.70 2af2 s LYS 30 N -0.87 4.22 -0.17 2.72 1.02 -1.10 -1.32 119.74 124.24 2af2 s LYS 30 Ca -0.07 0.97 -0.08 0.00 0.02 0.00 0.00 55.97 56.81 2af2 s LYS 30 Cb -0.06 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2af2 s LYS 30 CO -0.00 -0.45 0.11 0.08 -0.92 0.00 0.00 175.35 174.17 2af2 s VAL 31 N 2.60 5.25 0.22 3.17 1.01 0.10 -1.68 120.40 131.08 2af2 s VAL 31 Ca 0.36 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 2af2 s VAL 31 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2af2 s VAL 31 CO 0.09 0.51 0.50 -1.66 0.00 0.00 0.00 175.10 174.54 2af2 s TRP 32 N -0.11 0.13 -5.00 5.22 -2.14 -1.01 -0.54 118.94 115.48 2af2 s TRP 32 Ca 0.09 -0.50 0.00 0.00 2.66 0.00 0.00 56.10 58.35 2af2 s TRP 32 Cb -0.12 0.30 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 2af2 s TRP 32 CO 0.00 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 173.74 2af2 n GLY 33 N -0.36 0.46 3.33 3.67 0.00 -0.41 -1.52 105.19 110.37 2af2 n GLY 33 Ca -0.05 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.49 -0.43 1.61 1.04 0.21 -0.74 113.70 110.91 2af2 s SER 34 Ca 0.00 1.09 -0.08 0.00 0.48 0.00 0.00 55.95 57.44 2af2 s SER 34 Cb 0.00 1.61 0.09 0.00 0.10 0.00 0.00 66.02 67.82 2af2 s SER 34 CO 0.00 -0.23 0.26 -0.63 0.98 0.00 0.00 173.24 173.62 2af2 s ILE 35 N 2.69 4.03 -0.09 -1.02 1.09 0.03 -2.15 121.20 125.79 2af2 s ILE 35 Ca -0.01 -1.60 0.02 0.00 -1.10 0.00 0.00 60.65 57.96 2af2 s ILE 35 Cb -0.12 -3.56 -0.02 0.00 -1.06 0.00 0.00 42.46 37.71 2af2 s ILE 35 CO -0.15 -0.59 -0.17 -0.75 -0.10 0.00 0.00 174.94 173.18 2af2 s LYS 36 N 1.36 2.98 0.00 2.79 2.20 0.46 -0.71 119.74 128.82 2af2 s LYS 36 Ca 0.04 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2af2 s LYS 36 Cb -0.24 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2af2 s LYS 36 CO 0.00 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 2af2 n GLY 37 N 3.12 0.83 3.75 5.54 0.00 -0.17 -1.06 105.19 117.21 2af2 n GLY 37 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 2.65 0.20 0.99 1.43 -0.61 -4.64 118.68 118.69 2af2 s LEU 38 Ca 0.00 1.61 -0.26 0.00 -1.03 0.00 0.00 54.13 54.45 2af2 s LEU 38 Cb 0.00 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.95 2af2 s LEU 38 CO 0.00 -2.27 0.82 -0.89 0.23 0.00 0.00 176.35 174.24 2af2 s THR 39 N -2.95 4.31 0.70 5.49 2.01 -1.26 -4.32 115.64 119.62 2af2 s THR 39 Ca 0.62 1.76 -0.16 0.00 0.31 0.00 0.00 61.69 64.21 2af2 s THR 39 Cb -0.17 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2af2 s THR 39 CO 0.56 0.47 1.17 -1.84 -0.69 0.00 0.00 174.62 174.29 2af2 n GLU 40 N 1.43 0.73 0.00 4.92 0.28 -1.25 -4.71 120.64 122.05 2af2 n GLU 40 Ca -0.04 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2af2 n GLU 40 Cb 0.49 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 30.94 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2af2 n GLY 41 N 0.90 -2.36 3.78 -1.84 0.00 -0.00 -4.89 105.19 100.79 2af2 n GLY 41 Ca 0.15 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 3.85 -0.11 0.99 1.02 -1.26 -0.77 118.68 122.40 2af2 s LEU 42 Ca 0.00 2.07 -0.04 0.00 0.02 0.00 0.00 54.13 56.18 2af2 s LEU 42 Cb 0.00 -4.50 0.06 0.00 0.02 0.00 0.00 46.19 41.76 2af2 s LEU 42 CO 0.00 -0.94 0.23 -1.00 0.02 0.00 0.00 176.35 174.66 2af2 s HIS 43 N -1.82 -0.34 0.55 0.29 3.76 -0.34 -1.79 115.29 115.59 2af2 s HIS 43 Ca 0.68 0.84 -0.20 0.00 -0.15 0.00 0.00 55.06 56.23 2af2 s HIS 43 Cb -0.21 -0.08 -0.07 0.00 1.11 0.00 0.00 32.58 33.33 2af2 s HIS 43 CO 0.25 -0.31 0.99 0.41 -0.85 0.00 0.00 174.74 175.23 2af2 n GLY 44 N 5.15 -0.25 2.80 -2.22 0.00 -1.10 0.39 105.19 109.96 2af2 n GLY 44 Ca -0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.44 -0.58 0.24 1.61 5.36 -0.69 -0.46 117.98 122.01 2af2 s PHE 45 Ca 0.72 0.06 -0.11 0.00 -0.96 0.00 0.00 56.93 56.63 2af2 s PHE 45 Cb -0.45 -0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 41.87 2af2 s PHE 45 CO 0.50 -0.88 0.43 -1.01 -1.46 0.00 0.00 175.22 172.80 2af2 s HIS 46 N 2.41 0.46 0.04 10.12 3.76 -0.70 -2.30 115.29 129.09 2af2 s HIS 46 Ca 0.10 -0.80 -0.30 0.00 -0.15 0.00 0.00 55.06 53.90 2af2 s HIS 46 Cb -0.14 0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.59 2af2 s HIS 46 CO -0.29 -0.94 1.14 0.14 -0.85 0.00 0.00 174.74 173.94 2af2 s VAL 47 N -4.03 4.26 0.17 -0.90 -7.23 -0.79 -0.23 120.40 111.64 2af2 s VAL 47 Ca 0.24 1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 61.74 2af2 s VAL 47 Cb 0.00 -4.04 -0.07 0.00 0.56 0.00 0.00 36.38 32.83 2af2 s VAL 47 CO 0.09 0.12 0.91 -1.00 -0.31 0.00 0.00 175.10 174.92 2af2 s HIS 48 N 1.06 3.90 0.40 2.82 3.76 0.13 -3.39 115.29 123.98 2af2 s HIS 48 Ca 0.57 1.81 -0.26 0.00 -0.15 0.00 0.00 55.06 57.03 2af2 s HIS 48 Cb -0.27 -2.97 -0.09 0.00 1.11 0.00 0.00 32.58 30.36 2af2 s HIS 48 CO 0.29 0.36 1.32 -1.83 -0.85 0.00 0.00 174.74 174.03 2af2 s GLU 49 N -0.68 3.97 1.76 1.40 -1.05 0.40 -1.95 118.70 122.56 2af2 s GLU 49 Ca 0.42 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 57.44 2af2 s GLU 49 Cb -0.24 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 2af2 s GLU 49 CO 0.30 -0.51 0.00 1.19 0.95 0.00 0.00 175.26 177.19 2af2 n PHE 50 N 0.15 -1.75 -0.83 4.83 3.72 -1.26 -4.52 117.46 117.80 2af2 n PHE 50 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2af2 n PHE 50 Cb 0.43 0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.00 -0.90 1.98 1.37 0.00 -1.24 -3.29 105.19 103.11 2af2 n GLY 51 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.05 4.71 0.00 1.61 5.75 -1.26 -2.77 116.55 124.53 2af2 n ASP 52 Ca 0.00 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 2af2 n ASP 52 Cb 0.35 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2af2 n ASN 53 N 2.41 0.00 0.00 -1.12 2.04 -1.26 -5.02 115.26 112.32 2af2 n ASN 53 Ca 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.47 2af2 n ASN 53 Cb 0.77 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.02 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 0.00 0.00 0.09 5.53 -2.24 -1.12 -4.29 114.28 112.25 2af2 n THR 54 Ca 0.00 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2af2 n THR 54 Cb 0.00 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.57 2.61 -0.50 6.98 0.00 -1.26 -4.53 120.51 123.24 2af2 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 55 Cb 0.28 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.27 0.44 0.06 0.00 0.00 -1.26 -3.26 105.19 102.44 2af2 n GLY 56 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.82 0.00 -3.91 0.00 -2.24 -1.20 -4.87 114.28 100.24 2af2 n THR 58 Ca 0.01 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2af2 n THR 58 Cb 0.09 -0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2af2 n THR 58 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2af2 s SER 59 N -2.03 0.26 0.14 3.42 0.01 -0.97 -5.00 113.70 109.53 2af2 s SER 59 Ca 0.47 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2af2 s SER 59 Cb 0.22 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2af2 s SER 59 CO 0.37 -1.51 0.00 0.00 0.41 0.00 0.00 173.24 172.51 2af2 n ALA 60 N -0.53 0.00 -3.00 1.44 0.00 -1.26 -4.75 120.51 112.42 2af2 n ALA 60 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2af2 n ALA 60 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2af2 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 61 N 0.00 3.11 2.43 0.00 0.00 -1.26 -5.01 105.19 104.47 2af2 n GLY 61 Ca 0.00 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.02 -2.83 1.61 -0.04 -1.26 -3.15 135.00 126.31 2af2 n PRO 62 Ca 0.00 -1.19 -0.43 0.00 -0.04 0.00 0.00 63.50 61.85 2af2 n PRO 62 Cb 0.00 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.22 3.08 -0.06 0.54 -3.43 -1.22 -0.45 115.29 111.53 2af2 s HIS 63 Ca 0.50 0.73 -0.40 0.00 -0.80 0.00 0.00 55.06 55.08 2af2 s HIS 63 Cb -0.06 -3.61 -0.19 0.00 -1.43 0.00 0.00 32.58 27.28 2af2 s HIS 63 CO 0.39 -0.82 1.20 0.34 -2.00 0.00 0.00 174.74 173.85 2af2 n PHE 64 N 6.72 0.95 -2.05 0.38 7.35 -1.26 -4.74 117.46 124.82 2af2 n PHE 64 Ca 0.06 0.99 -0.31 0.00 -0.76 0.00 0.00 57.45 57.44 2af2 n PHE 64 Cb 0.48 -2.15 0.03 0.00 0.35 0.00 0.00 39.48 38.18 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 2.08 5.93 0.22 -2.13 6.94 -1.26 -2.08 115.26 124.96 2af2 n ASN 65 Ca 0.21 -3.77 0.15 0.00 -0.02 0.00 0.00 54.58 51.16 2af2 n ASN 65 Cb 0.08 -0.66 0.64 0.00 -2.36 0.00 0.00 39.78 37.48 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 2.49 0.00 0.00 -0.53 0.13 -1.95 0.98 132.00 133.12 2af2 h PRO 66 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 2af2 h PRO 66 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2af2 h PRO 66 CO 1.09 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.14 2af2 n LEU 67 N -2.72 0.00 -1.98 1.56 4.77 -1.26 -4.96 117.00 112.40 2af2 n LEU 67 Ca 0.01 0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 56.30 2af2 n LEU 67 Cb 0.25 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2af2 n LEU 67 CO 0.23 -0.06 0.02 -0.24 -1.33 0.00 0.00 177.39 176.01 2af2 n SER 68 N -1.36 -3.05 -3.73 -1.43 2.88 0.34 -5.05 113.62 102.22 2af2 n SER 68 Ca 0.10 -0.22 -0.10 0.00 -1.33 0.00 0.00 58.87 57.32 2af2 n SER 68 Cb 0.23 -2.03 -0.04 0.00 -0.75 0.00 0.00 64.21 61.62 2af2 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 69 N -3.76 1.72 0.83 -1.46 1.70 -1.26 -5.16 118.95 111.57 2af2 s ARG 69 Ca 0.10 -1.33 -0.11 0.00 -0.47 0.00 0.00 55.73 53.93 2af2 s ARG 69 Cb -0.01 0.50 0.13 0.00 -0.57 0.00 0.00 34.95 34.99 2af2 s ARG 69 CO 0.24 -0.74 1.17 0.15 -1.08 0.00 0.00 175.30 175.05 2af2 s LYS 70 N -3.64 1.49 0.85 3.89 -0.14 -1.26 -4.85 119.74 116.08 2af2 s LYS 70 Ca 0.22 -0.30 -0.12 0.00 -1.36 0.00 0.00 55.97 54.41 2af2 s LYS 70 Cb -0.02 -2.00 0.10 0.00 -1.68 0.00 0.00 37.83 34.23 2af2 s LYS 70 CO 0.11 -1.80 1.10 -1.58 -0.76 0.00 0.00 175.35 172.41 2af2 s HIS 71 N -3.57 2.58 -0.27 3.18 5.04 0.01 -3.68 115.29 118.59 2af2 s HIS 71 Ca 0.66 1.19 0.00 0.00 -1.54 0.00 0.00 55.06 55.37 2af2 s HIS 71 Cb -0.08 -3.15 0.00 0.00 0.04 0.00 0.00 32.58 29.39 2af2 s HIS 71 CO 0.49 -2.08 0.00 0.41 -2.34 0.00 0.00 174.74 171.22 2af2 n GLY 72 N -1.66 0.13 0.00 1.59 0.00 -0.98 -4.34 105.19 99.93 2af2 n GLY 72 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2af2 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 73 N 0.00 1.59 0.00 -0.02 0.00 -1.26 -4.69 105.19 100.81 2af2 n GLY 73 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.54 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 74 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -1.75 135.00 133.56 2af2 n PRO 74 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2af2 n PRO 74 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2af2 n LYS 75 N -1.49 1.52 -2.64 0.54 -0.00 -1.26 -5.14 118.16 109.69 2af2 n LYS 75 Ca 0.00 -0.03 -0.22 0.00 -0.00 0.00 0.00 58.31 58.06 2af2 n LYS 75 Cb 0.02 -0.24 0.08 0.00 -0.00 0.00 0.00 35.03 34.89 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2af2 s ASP 76 N -0.23 4.72 -0.07 -5.58 -1.08 -0.72 -5.05 116.67 108.67 2af2 s ASP 76 Ca 0.00 -0.29 0.17 0.00 -0.52 0.00 0.00 52.55 51.92 2af2 s ASP 76 Cb 0.00 -0.28 -0.26 0.00 -1.46 0.00 0.00 42.92 40.92 2af2 s ASP 76 CO 0.00 -1.58 0.30 -0.62 0.52 0.00 0.00 175.17 173.80 2af2 n GLU 77 N -2.62 0.75 0.00 4.34 4.71 -1.26 -4.71 120.64 121.85 2af2 n GLU 77 Ca 0.13 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 2af2 n GLU 77 Cb 0.60 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.60 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2af2 n GLU 78 N -2.28 0.00 0.00 3.49 -0.58 -1.26 -5.10 120.64 114.90 2af2 n GLU 78 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2af2 n GLU 78 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 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 0.00 0.00 -0.47 3.49 0.63 -1.25 -4.78 116.66 114.28 2af2 n ARG 79 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2af2 n ARG 79 Cb 0.00 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.10 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 2.51 -3.46 -3.03 -0.14 8.25 -1.24 -4.97 115.22 113.13 2af2 n HIS 80 Ca 0.00 -0.64 -0.37 0.00 -0.26 0.00 0.00 57.72 56.45 2af2 n HIS 80 Cb 0.00 -0.83 -0.06 0.00 1.12 0.00 0.00 29.99 30.22 2af2 n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2af2 s VAL 81 N -2.11 4.48 0.00 1.59 0.11 -0.88 -4.41 120.40 119.18 2af2 s VAL 81 Ca 0.48 1.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.97 2af2 s VAL 81 Cb -0.06 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2af2 s VAL 81 CO 0.39 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 2af2 n GLY 82 N 0.83 0.69 3.57 6.54 0.00 -1.26 -4.20 105.19 111.36 2af2 n GLY 82 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2af2 n GLY 82 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2af2 s ASP 83 N -2.58 6.25 -0.81 1.61 -4.77 -1.26 -1.88 116.67 113.24 2af2 s ASP 83 Ca 0.00 -1.71 -0.07 0.00 -3.30 0.00 0.00 52.55 47.47 2af2 s ASP 83 Cb 0.00 -2.57 -0.12 0.00 -1.09 0.00 0.00 42.92 39.14 2af2 s ASP 83 CO 0.00 -1.76 3.14 0.18 0.70 0.00 0.00 175.17 177.43 2af2 n LEU 84 N 10.09 7.02 0.00 2.11 4.77 -0.97 -4.87 117.00 135.14 2af2 n LEU 84 Ca 0.41 -3.93 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 2af2 n LEU 84 Cb 0.48 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2af2 n LEU 84 CO 0.69 1.89 0.00 0.61 -1.33 0.00 0.00 177.39 179.25 2af2 n GLY 85 N 2.60 2.01 2.99 -0.72 0.00 -1.24 -4.77 105.19 106.06 2af2 n GLY 85 Ca 0.59 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 0.60 -0.48 1.61 2.20 -1.26 -1.70 114.94 111.91 2af2 s ASN 86 Ca 0.00 -0.31 -0.20 0.00 -0.94 0.00 0.00 52.86 51.42 2af2 s ASN 86 Cb 0.00 -0.00 0.04 0.00 -2.00 0.00 0.00 41.25 39.29 2af2 s ASN 86 CO 0.00 -0.09 0.63 0.68 -2.94 0.00 0.00 177.10 175.38 2af2 s VAL 87 N -0.75 4.86 -0.36 3.54 -7.23 0.16 -4.82 120.40 115.81 2af2 s VAL 87 Ca -0.05 -0.29 -0.14 0.00 -1.81 0.00 0.00 61.98 59.70 2af2 s VAL 87 Cb -0.06 -4.26 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 2af2 s VAL 87 CO -0.00 -0.73 0.26 -0.89 -0.31 0.00 0.00 175.10 173.43 2af2 s THR 88 N 2.69 5.27 0.26 5.32 2.01 -1.26 -1.20 115.64 128.74 2af2 s THR 88 Ca 0.17 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2af2 s THR 88 Cb -0.17 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2af2 s THR 88 CO 0.14 -0.10 0.44 0.00 -0.69 0.00 0.00 174.62 174.41 2af2 s ALA 89 N 1.72 3.82 0.58 7.40 0.00 0.05 -4.26 121.76 131.07 2af2 s ALA 89 Ca 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2af2 s ALA 89 Cb -0.18 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.05 2af2 s ALA 89 CO 0.10 0.21 0.34 -0.40 0.00 0.00 0.00 175.76 176.01 2af2 n ASP 90 N -1.30 0.37 0.06 0.00 5.75 -0.47 -0.82 116.55 120.13 2af2 n ASP 90 Ca -0.06 -1.33 0.13 0.00 -0.01 0.00 0.00 54.79 53.52 2af2 n ASP 90 Cb 0.56 -0.23 0.35 0.00 -1.03 0.00 0.00 41.12 40.77 2af2 n ASP 90 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2af2 n LYS 91 N -1.64 0.20 0.00 0.11 2.85 -1.26 -2.00 118.16 116.42 2af2 n LYS 91 Ca 0.05 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.54 2af2 n LYS 91 Cb 0.19 -1.69 0.53 0.00 -0.65 0.00 0.00 35.03 33.41 2af2 n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2af2 n ASP 92 N -2.01 0.00 0.00 -5.58 2.03 -1.26 -4.91 116.55 104.82 2af2 n ASP 92 Ca 0.05 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2af2 n ASP 92 Cb 0.41 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.74 0.89 3.52 0.27 0.00 -0.85 -4.57 105.19 105.20 2af2 n GLY 93 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.03 4.38 -0.59 1.61 0.11 -1.25 -1.00 120.40 121.63 2af2 s VAL 94 Ca 0.00 -0.17 -0.19 0.00 -2.93 0.00 0.00 61.98 58.70 2af2 s VAL 94 Cb 0.00 -3.00 0.10 0.00 -1.53 0.00 0.00 36.38 31.96 2af2 s VAL 94 CO 0.00 0.41 0.70 0.00 -3.33 0.00 0.00 175.10 172.88 2af2 s ALA 95 N 0.93 3.42 -0.03 1.54 0.00 0.11 -1.37 121.76 126.35 2af2 s ALA 95 Ca 0.03 -2.22 -0.20 0.00 0.00 0.00 0.00 51.96 49.57 2af2 s ALA 95 Cb -0.14 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2af2 s ALA 95 CO 0.02 -2.33 0.55 0.34 0.00 0.00 0.00 175.76 174.34 2af2 s ASP 96 N 3.60 6.89 -0.02 0.00 2.15 -1.26 -0.79 116.67 127.24 2af2 s ASP 96 Ca 0.11 1.06 -0.01 0.00 0.43 0.00 0.00 52.55 54.14 2af2 s ASP 96 Cb -0.24 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 2af2 s ASP 96 CO 0.06 0.09 0.05 -0.69 -0.17 0.00 0.00 175.17 174.52 2af2 s VAL 97 N -0.03 -0.01 -0.22 1.11 1.01 0.08 -4.97 120.40 117.37 2af2 s VAL 97 Ca 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 2af2 s VAL 97 Cb -0.17 -0.09 0.10 0.00 0.00 0.00 0.00 36.38 36.22 2af2 s VAL 97 CO 0.15 0.02 0.46 -0.94 0.00 0.00 0.00 175.10 174.79 2af2 s SER 98 N 0.31 -0.40 -0.03 3.32 1.04 -1.26 -1.29 113.70 115.38 2af2 s SER 98 Ca -0.02 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.37 2af2 s SER 98 Cb -0.03 1.52 0.02 0.00 0.10 0.00 0.00 66.02 67.62 2af2 s SER 98 CO -0.01 -0.23 0.23 -0.63 0.98 0.00 0.00 173.24 173.58 2af2 s ILE 99 N 2.66 0.05 -0.10 -1.02 1.01 0.30 -5.01 121.20 119.09 2af2 s ILE 99 Ca -0.02 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2af2 s ILE 99 Cb -0.12 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 2af2 s ILE 99 CO -0.14 -0.24 -0.20 -0.70 0.00 0.00 0.00 174.94 173.66 2af2 s GLU 100 N -0.98 3.09 -0.01 2.79 2.56 -1.26 0.03 118.70 124.91 2af2 s GLU 100 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.05 2af2 s GLU 100 Cb -0.05 -2.39 0.02 0.00 2.00 0.00 0.00 34.13 33.70 2af2 s GLU 100 CO 0.02 0.22 0.01 0.34 -0.56 0.00 0.00 175.26 175.29 2af2 s ASP 101 N 0.26 0.14 -0.49 -1.70 -1.08 -0.44 -4.97 116.67 108.38 2af2 s ASP 101 Ca -0.14 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 51.93 2af2 s ASP 101 Cb -0.17 -0.07 0.42 0.00 -1.46 0.00 0.00 42.92 41.65 2af2 s ASP 101 CO 0.07 -0.06 1.38 -1.54 0.52 0.00 0.00 175.17 175.54 2af2 n SER 102 N 3.68 5.54 0.00 -0.34 3.41 -1.26 -1.59 113.62 123.06 2af2 n SER 102 Ca -0.21 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.65 2af2 n SER 102 Cb 0.54 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.59 0.12 -4.23 -3.33 0.24 -1.26 -4.95 118.33 104.32 2af2 n VAL 103 Ca 0.45 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.47 2af2 n VAL 103 Cb 0.67 1.18 -0.10 0.00 -1.47 0.00 0.00 33.84 34.11 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 -0.12 0.93 0.13 1.34 -0.00 -1.26 -4.88 121.20 117.33 2af2 s ILE 104 Ca 0.00 -2.01 -0.10 0.00 -0.00 0.00 0.00 60.65 58.54 2af2 s ILE 104 Cb 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 42.46 40.56 2af2 s ILE 104 CO 0.00 -0.69 0.27 -0.94 -0.00 0.00 0.00 174.94 173.58 2af2 s SER 105 N -3.15 0.02 -1.27 4.36 1.04 -1.26 -4.43 113.70 109.01 2af2 s SER 105 Ca 0.18 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 2af2 s SER 105 Cb 0.04 0.41 0.18 0.00 0.10 0.00 0.00 66.02 66.75 2af2 s SER 105 CO 0.00 -0.83 1.85 0.18 0.98 0.00 0.00 173.24 175.42 2af2 n LEU 106 N -0.16 6.62 -4.70 2.42 4.32 -1.26 -2.23 117.00 122.01 2af2 n LEU 106 Ca -0.12 -4.68 -0.34 0.00 -0.02 0.00 0.00 56.01 50.86 2af2 n LEU 106 Cb 0.63 -1.47 -0.09 0.00 -1.62 0.00 0.00 43.42 40.87 2af2 n LEU 106 CO 0.22 1.39 -0.30 -0.55 -1.22 0.00 0.00 177.39 176.93 2af2 s SER 107 N 0.72 5.29 -0.00 -1.43 0.15 -1.26 -4.55 113.70 112.63 2af2 s SER 107 Ca 0.39 0.09 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2af2 s SER 107 Cb 0.09 -1.46 0.07 0.00 -1.71 0.00 0.00 66.02 63.02 2af2 s SER 107 CO 0.01 0.32 1.02 0.61 1.20 0.00 0.00 173.24 176.40 2af2 n GLY 108 N 1.67 -0.40 0.77 9.45 0.00 -1.26 -3.51 105.19 111.91 2af2 n GLY 108 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2af2 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 109 N -0.23 0.00 -0.03 1.61 8.00 -1.26 -4.96 116.55 119.68 2af2 n ASP 109 Ca 0.03 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.64 2af2 n ASP 109 Cb 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.26 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2af2 n HIS 110 N -1.79 0.00 0.00 1.24 8.25 -1.26 -4.94 115.22 116.73 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 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.39 0.00 -0.36 0.41 7.64 -1.25 -4.98 113.62 113.69 2af2 n SER 111 Ca 0.05 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.99 2af2 n SER 111 Cb 0.34 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.67 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2af2 n ILE 112 N 0.00 1.52 -2.98 0.44 -5.35 -0.95 -4.71 119.36 107.33 2af2 n ILE 112 Ca 0.00 -1.53 -0.36 0.00 -0.27 0.00 0.00 62.75 60.59 2af2 n ILE 112 Cb 0.00 0.14 -0.06 0.00 -1.74 0.00 0.00 39.64 37.97 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 -1.90 4.45 -1.64 7.28 -1.09 -1.23 -4.42 121.20 122.64 2af2 s ILE 113 Ca 0.23 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 60.10 2af2 s ILE 113 Cb 0.18 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2af2 s ILE 113 CO 0.06 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 2af2 n GLY 114 N 0.54 0.16 3.78 6.18 0.00 -1.21 -4.78 105.19 109.85 2af2 n GLY 114 Ca -0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2af2 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2af2 s ARG 115 N -4.56 2.83 -0.96 1.61 1.81 -1.26 -3.73 118.95 114.69 2af2 s ARG 115 Ca 0.00 -0.86 -0.14 0.00 -1.72 0.00 0.00 55.73 53.01 2af2 s ARG 115 Cb 0.00 -2.63 0.20 0.00 -0.45 0.00 0.00 34.95 32.07 2af2 s ARG 115 CO 0.00 0.50 1.02 0.99 -0.68 0.00 0.00 175.30 177.12 2af2 s THR 116 N -1.66 5.37 0.38 0.02 2.01 -0.82 -0.51 115.64 120.42 2af2 s THR 116 Ca 0.30 -2.42 -0.24 0.00 0.31 0.00 0.00 61.69 59.63 2af2 s THR 116 Cb -0.10 -4.64 -0.09 0.00 0.01 0.00 0.00 72.50 67.68 2af2 s THR 116 CO 0.22 -1.27 1.03 -0.22 -0.69 0.00 0.00 174.62 173.69 2af2 s LEU 117 N 0.78 4.19 0.07 4.42 2.96 -0.83 0.22 118.68 130.48 2af2 s LEU 117 Ca 0.28 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 56.22 2af2 s LEU 117 Cb -0.08 -4.14 -0.03 0.00 0.50 0.00 0.00 46.19 42.44 2af2 s LEU 117 CO -0.08 -0.39 -0.10 0.54 -1.32 0.00 0.00 176.35 175.00 2af2 s VAL 118 N -1.65 0.85 -0.11 1.68 0.11 0.68 -0.68 120.40 121.27 2af2 s VAL 118 Ca 0.56 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2af2 s VAL 118 Cb -0.21 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2af2 s VAL 118 CO 0.27 -0.43 -0.11 0.54 -3.33 0.00 0.00 175.10 172.03 2af2 s VAL 119 N -1.88 3.27 0.30 2.04 0.11 0.03 -1.72 120.40 122.56 2af2 s VAL 119 Ca -0.01 -0.60 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 2af2 s VAL 119 Cb -0.06 -2.36 -0.07 0.00 -1.53 0.00 0.00 36.38 32.36 2af2 s VAL 119 CO 0.00 0.54 0.63 -1.00 -3.33 0.00 0.00 175.10 171.94 2af2 s HIS 120 N 0.01 3.45 0.35 1.54 3.76 0.39 -1.29 115.29 123.50 2af2 s HIS 120 Ca -0.03 0.88 0.14 0.00 -0.15 0.00 0.00 55.06 55.90 2af2 s HIS 120 Cb -0.14 -2.28 0.74 0.00 1.11 0.00 0.00 32.58 32.00 2af2 s HIS 120 CO 0.04 0.12 1.82 1.05 -0.85 0.00 0.00 174.74 176.92 2af2 h GLU 121 N 1.90 0.00 -5.69 1.40 4.11 -1.54 -3.38 114.58 111.38 2af2 h GLU 121 Ca -0.47 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.33 2af2 h GLU 121 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 2af2 h GLU 121 CO 0.66 0.37 -0.60 0.15 0.07 0.00 0.00 179.01 179.66 2af2 s LYS 122 N -4.10 1.96 0.51 1.06 3.01 -0.78 -4.97 119.74 116.44 2af2 s LYS 122 Ca -0.02 -2.09 -0.20 0.00 -1.01 0.00 0.00 55.97 52.65 2af2 s LYS 122 Cb 0.14 -1.66 -0.10 0.00 -1.01 0.00 0.00 37.83 35.21 2af2 s LYS 122 CO 0.72 -0.04 0.63 0.00 0.51 0.00 0.00 175.35 177.17 2af2 n ALA 123 N -0.96 -0.95 -2.71 5.17 0.00 -0.74 -2.70 120.51 117.62 2af2 n ALA 123 Ca -0.05 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 2af2 n ALA 123 Cb 0.67 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 2af2 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2af2 s ASP 124 N -1.06 6.48 0.13 0.00 -1.08 -1.26 -4.25 116.67 115.62 2af2 s ASP 124 Ca 0.67 0.57 0.25 0.00 -0.52 0.00 0.00 52.55 53.53 2af2 s ASP 124 Cb -0.50 -2.17 0.61 0.00 -1.46 0.00 0.00 42.92 39.40 2af2 s ASP 124 CO 0.55 0.19 1.55 -0.67 0.52 0.00 0.00 175.17 177.31 2af2 n ASP 125 N 3.00 0.65 0.00 -0.34 2.03 0.28 -4.97 116.55 117.20 2af2 n ASP 125 Ca -0.14 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2af2 n ASP 125 Cb 0.52 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 2af2 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2af2 n LEU 126 N -2.04 0.00 0.00 -2.67 7.99 -1.26 -3.48 117.00 115.54 2af2 n LEU 126 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 2af2 n LEU 126 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 2af2 n LEU 126 CO 0.33 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.82 2af2 n GLY 127 N 0.00 0.01 2.40 -0.72 0.00 -1.26 -2.31 105.19 103.31 2af2 n GLY 127 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.23 2.31 -0.01 1.61 0.00 -1.23 -2.80 118.16 117.82 2af2 n LYS 128 Ca 0.00 -4.48 -0.00 0.00 0.00 0.00 0.00 58.31 53.83 2af2 n LYS 128 Cb 0.00 -2.12 -0.00 0.00 0.00 0.00 0.00 35.03 32.91 2af2 n LYS 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2af2 h GLY 129 N 4.11 -0.01 0.00 3.14 0.00 -1.98 -3.49 103.07 104.85 2af2 h GLY 129 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2af2 h GLY 129 CO 0.79 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.93 2af2 n GLY 130 N 1.89 0.00 3.29 4.60 0.00 -1.26 -5.17 105.19 108.54 2af2 n GLY 130 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.01 0.05 1.61 2.20 -1.26 -5.08 114.94 112.45 2af2 s ASN 131 Ca 0.00 -0.63 -0.20 0.00 -0.94 0.00 0.00 52.86 51.10 2af2 s ASN 131 Cb 0.00 0.41 -0.13 0.00 -2.00 0.00 0.00 41.25 39.53 2af2 s ASN 131 CO 0.00 -0.83 1.37 -0.08 -2.94 0.00 0.00 177.10 174.63 2af2 h GLU 132 N 2.57 0.40 -1.22 3.55 4.57 -2.01 -3.18 114.58 119.26 2af2 h GLU 132 Ca -0.33 -0.20 0.36 0.00 -1.18 0.00 0.00 59.36 58.02 2af2 h GLU 132 Cb 1.22 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.71 2af2 h GLU 132 CO 0.51 0.75 0.80 0.93 -1.18 0.00 0.00 179.01 180.81 2af2 h GLU 133 N 0.05 0.19 0.58 1.92 3.07 -1.98 0.07 114.58 118.49 2af2 h GLU 133 Ca 0.03 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2af2 h GLU 133 Cb 0.66 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2af2 h GLU 133 CO 0.04 0.12 -0.34 1.03 -1.40 0.00 0.00 179.01 178.46 2af2 h SER 134 N 0.19 -0.85 0.32 1.42 0.87 -1.83 0.97 113.55 114.64 2af2 h SER 134 Ca 0.71 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 2af2 h SER 134 Cb 2.17 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 64.37 2af2 h SER 134 CO -0.31 -0.55 0.00 1.07 -0.53 0.00 0.00 176.83 176.51 2af2 n THR 135 N -5.48 1.31 -0.12 2.23 5.66 -0.04 -0.39 114.28 117.45 2af2 n THR 135 Ca -0.12 0.33 -0.24 0.00 -3.05 0.00 0.00 64.05 60.96 2af2 n THR 135 Cb 0.37 -1.16 -0.11 0.00 -1.55 0.00 0.00 70.33 67.88 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 -1.49 0.57 -0.02 1.09 5.02 -0.87 -0.81 118.16 121.66 2af2 n LYS 136 Ca 0.02 0.47 0.01 0.00 -2.02 0.00 0.00 58.31 56.79 2af2 n LYS 136 Cb 0.11 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 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 -4.38 0.20 0.00 -0.18 -2.24 0.32 -4.53 114.28 103.48 2af2 n THR 137 Ca -0.39 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2af2 n THR 137 Cb 0.74 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 2.31 0.47 2.40 3.38 0.00 0.48 -4.62 105.19 109.61 2af2 n GLY 138 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.19 -0.86 1.61 4.05 -1.26 -0.55 115.26 114.06 2af2 n ASN 139 Ca 0.00 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.26 2af2 n ASN 139 Cb 0.00 -3.31 0.00 0.00 1.23 0.00 0.00 39.78 37.70 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 n ALA 140 N 0.74 2.02 0.00 5.20 0.00 -1.26 -4.85 120.51 122.37 2af2 n ALA 140 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2af2 n ALA 140 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.57 2.28 0.00 0.00 0.00 -1.26 -1.86 105.19 104.92 2af2 n GLY 141 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 4.44 0.00 -4.23 1.61 2.88 -1.26 -5.01 113.62 112.04 2af2 n SER 142 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2af2 n SER 142 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2af2 n SER 142 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2af2 s ARG 143 N 1.97 3.17 0.00 -1.46 3.00 -1.26 -3.18 118.95 121.19 2af2 s ARG 143 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 55.73 54.97 2af2 s ARG 143 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.30 2af2 s ARG 143 CO 0.00 -0.06 0.00 -0.11 0.00 0.00 0.00 175.30 175.13 2af2 n LEU 144 N 4.28 0.00 -4.73 2.53 0.00 -0.41 -4.79 117.00 113.87 2af2 n LEU 144 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.45 2af2 n LEU 144 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 43.42 44.00 2af2 n LEU 144 CO 0.28 0.00 0.87 0.00 0.00 0.00 0.00 177.39 178.54 2af2 s ALA 145 N -3.19 2.32 -0.08 1.96 0.00 -1.24 -4.71 121.76 116.82 2af2 s ALA 145 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2af2 s ALA 145 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2af2 s ALA 145 CO 0.00 -1.64 0.28 0.00 0.00 0.00 0.00 175.76 174.40 2af2 s GLY 147 N -0.29 -0.77 0.17 0.00 0.00 0.14 -1.50 107.32 105.07 2af2 s GLY 147 Ca -0.04 1.90 -0.30 0.00 0.00 0.00 0.00 44.72 46.28 2af2 s GLY 147 CO 0.01 3.08 1.14 0.54 0.00 0.00 0.00 173.10 177.88 2af2 s VAL 148 N 2.82 3.77 -0.07 1.40 0.11 -1.26 -1.97 120.40 125.19 2af2 s VAL 148 Ca 0.07 1.50 -0.30 0.00 -2.93 0.00 0.00 61.98 60.32 2af2 s VAL 148 Cb -0.14 -3.95 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 2af2 s VAL 148 CO -0.19 0.24 1.23 -0.63 -3.33 0.00 0.00 175.10 172.42 2af2 s ILE 149 N -0.09 4.21 0.29 7.04 1.01 0.33 -4.77 121.20 129.21 2af2 s ILE 149 Ca 0.51 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.70 2af2 s ILE 149 Cb -0.31 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2af2 s ILE 149 CO 0.35 -0.02 0.06 0.61 0.00 0.00 0.00 174.94 175.94 2af2 n GLY 150 N 3.43 3.57 3.31 6.18 0.00 -0.25 -3.32 105.19 118.11 2af2 n GLY 150 Ca 0.12 -2.28 -0.23 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.86 1.78 0.00 -0.61 -5.25 -1.26 -0.38 121.20 113.62 2af2 s ILE 151 Ca 0.05 -1.71 0.00 0.00 -0.99 0.00 0.00 60.65 58.00 2af2 s ILE 151 Cb -0.00 -1.69 0.00 0.00 2.95 0.00 0.00 42.46 43.71 2af2 s ILE 151 CO 0.03 -0.16 0.02 0.00 -1.79 0.00 0.00 174.94 173.05 2af2 n ALA 152 N 0.75 0.51 -1.78 2.27 0.00 -0.76 -4.96 120.51 116.55 2af2 n ALA 152 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2af2 n ALA 152 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44