#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 4.75 -0.22 0.00 -4.23 -0.64 -4.81 115.64 110.49 2af2 s THR 2 Ca 0.00 1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 61.92 2af2 s THR 2 Cb 0.00 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 2af2 s THR 2 CO 0.00 -0.21 0.12 -0.75 -0.54 0.00 0.00 174.62 173.23 2af2 s LYS 3 N 3.05 3.99 0.05 3.99 2.20 -1.26 -0.89 119.74 130.88 2af2 s LYS 3 Ca 0.37 -0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2af2 s LYS 3 Cb -0.14 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2af2 s LYS 3 CO 0.10 0.10 -0.03 0.00 -0.36 0.00 0.00 175.35 175.16 2af2 s ALA 4 N 0.91 0.55 0.01 3.13 0.00 -0.35 -0.91 121.76 125.10 2af2 s ALA 4 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2af2 s ALA 4 Cb -0.13 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2af2 s ALA 4 CO 0.03 -0.35 -0.01 0.08 0.00 0.00 0.00 175.76 175.50 2af2 s VAL 5 N -3.85 0.07 -0.22 0.00 1.01 -0.00 -1.29 120.40 116.12 2af2 s VAL 5 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2af2 s VAL 5 Cb 0.07 -0.13 0.05 0.00 0.00 0.00 0.00 36.38 36.38 2af2 s VAL 5 CO -0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 175.10 174.79 2af2 s ALA 6 N -0.50 1.86 -0.39 5.51 0.00 -0.66 -1.87 121.76 125.71 2af2 s ALA 6 Ca -0.05 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 2af2 s ALA 6 Cb -0.04 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2af2 s ALA 6 CO -0.00 -1.05 0.39 0.14 0.00 0.00 0.00 175.76 175.23 2af2 s VAL 7 N 1.45 5.14 -0.46 0.00 -7.23 -1.26 -0.81 120.40 117.22 2af2 s VAL 7 Ca -0.04 -0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 59.75 2af2 s VAL 7 Cb -0.18 -3.93 0.04 0.00 0.56 0.00 0.00 36.38 32.87 2af2 s VAL 7 CO -0.07 -0.27 0.48 -0.76 -0.31 0.00 0.00 175.10 174.17 2af2 s LEU 8 N 2.04 5.08 -0.23 1.32 1.02 0.06 -4.71 118.68 123.26 2af2 s LEU 8 Ca 0.11 -0.90 -0.10 0.00 0.02 0.00 0.00 54.13 53.26 2af2 s LEU 8 Cb -0.17 -2.35 0.09 0.00 0.02 0.00 0.00 46.19 43.78 2af2 s LEU 8 CO 0.12 -0.68 0.52 -0.75 0.02 0.00 0.00 176.35 175.58 2af2 s LYS 9 N 2.15 0.47 0.00 1.70 2.20 -1.20 -2.21 119.74 122.85 2af2 s LYS 9 Ca 0.11 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 2af2 s LYS 9 Cb -0.19 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2af2 s LYS 9 CO 0.11 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2af2 n GLY 10 N 4.92 0.13 2.32 5.54 0.00 -1.26 -4.90 105.19 111.94 2af2 n GLY 10 Ca -0.15 -0.11 -0.36 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 -1.63 8.25 0.00 1.61 9.92 -1.26 -4.94 116.55 128.49 2af2 n ASP 11 Ca 0.00 -2.54 0.00 0.00 -0.53 0.00 0.00 54.79 51.72 2af2 n ASP 11 Cb 0.00 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 38.97 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 3.53 1.06 0.00 0.44 0.00 -1.26 -1.30 105.19 107.65 2af2 n GLY 12 Ca 0.74 0.70 0.14 0.00 0.00 0.00 0.00 46.02 47.60 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 0.04 -3.33 1.61 -0.04 -1.26 -4.75 135.00 127.28 2af2 n PRO 13 Ca 0.00 -0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2af2 n PRO 13 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.96 4.86 0.20 0.52 1.01 -0.42 -4.51 120.40 119.10 2af2 s VAL 14 Ca 0.15 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 63.05 2af2 s VAL 14 Cb 0.19 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2af2 s VAL 14 CO 0.52 0.53 0.56 0.00 0.00 0.00 0.00 175.10 176.71 2af2 s GLN 15 N -0.87 1.42 0.32 2.72 0.00 -1.02 -4.46 119.66 117.78 2af2 s GLN 15 Ca 0.28 -0.83 -0.15 0.00 -0.00 0.00 0.00 55.36 54.65 2af2 s GLN 15 Cb -0.18 0.54 0.03 0.00 0.00 0.00 0.00 33.01 33.39 2af2 s GLN 15 CO 0.17 -0.62 0.67 0.20 0.00 0.00 0.00 175.29 175.71 2af2 s GLY 16 N -2.86 0.37 0.01 2.60 0.00 -0.94 -1.37 107.32 105.13 2af2 s GLY 16 Ca 0.08 -0.71 0.05 0.00 0.00 0.00 0.00 44.72 44.15 2af2 s GLY 16 CO -0.03 -0.37 -0.17 -0.26 0.00 0.00 0.00 173.10 172.27 2af2 s ILE 17 N -3.28 1.32 -0.04 0.90 -5.25 -1.09 -0.76 121.20 112.99 2af2 s ILE 17 Ca 0.17 -0.85 0.03 0.00 -0.99 0.00 0.00 60.65 59.00 2af2 s ILE 17 Cb -0.04 -1.13 0.01 0.00 2.95 0.00 0.00 42.46 44.25 2af2 s ILE 17 CO 0.10 0.26 -0.11 -0.63 -1.79 0.00 0.00 174.94 172.77 2af2 s ILE 18 N -0.56 0.99 -0.08 8.37 -1.09 0.00 -2.72 121.20 126.11 2af2 s ILE 18 Ca 0.05 -0.45 -0.04 0.00 -2.23 0.00 0.00 60.65 57.99 2af2 s ILE 18 Cb -0.07 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2af2 s ILE 18 CO 0.00 0.31 0.08 0.20 -1.23 0.00 0.00 174.94 174.30 2af2 s ASN 19 N 0.33 5.85 -0.15 3.58 0.02 -0.38 -1.66 114.94 122.53 2af2 s ASN 19 Ca -0.07 0.28 0.00 0.00 -1.02 0.00 0.00 52.86 52.06 2af2 s ASN 19 Cb -0.11 -1.77 0.02 0.00 0.02 0.00 0.00 41.25 39.41 2af2 s ASN 19 CO 0.02 0.36 -0.13 -0.36 0.02 0.00 0.00 177.10 177.00 2af2 s PHE 20 N -1.04 2.13 -0.21 2.20 0.40 -0.41 -2.13 117.98 118.93 2af2 s PHE 20 Ca 0.17 -1.21 -0.01 0.00 -0.60 0.00 0.00 56.93 55.28 2af2 s PHE 20 Cb -0.12 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.85 2af2 s PHE 20 CO 0.07 -0.66 -0.11 -2.00 0.70 0.00 0.00 175.22 173.21 2af2 s GLU 21 N 1.50 3.14 0.01 0.44 2.56 -0.50 -1.21 118.70 124.63 2af2 s GLU 21 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 54.97 54.30 2af2 s GLU 21 Cb -0.13 -2.82 -0.01 0.00 2.00 0.00 0.00 34.13 33.17 2af2 s GLU 21 CO -0.10 -0.23 -0.14 -1.14 -0.56 0.00 0.00 175.26 173.09 2af2 s GLN 22 N 1.38 1.06 -0.08 4.30 -0.44 -0.07 -2.20 119.66 123.61 2af2 s GLN 22 Ca 0.05 -0.58 -0.02 0.00 -2.50 0.00 0.00 55.36 52.31 2af2 s GLN 22 Cb -0.14 -1.04 -0.01 0.00 -1.64 0.00 0.00 33.01 30.19 2af2 s GLN 22 CO -0.08 0.28 -0.04 1.57 0.50 0.00 0.00 175.29 177.52 2af2 h LYS 23 N 5.52 0.00 -4.95 1.67 2.10 -1.86 -0.11 116.57 118.95 2af2 h LYS 23 Ca -0.35 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 57.88 2af2 h LYS 23 Cb 1.17 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.36 2af2 h LYS 23 CO 0.47 0.00 -0.58 -1.83 -2.00 0.00 0.00 179.45 175.52 2af2 s GLU 24 N -1.55 1.59 0.19 0.07 1.03 -1.26 0.07 118.70 118.84 2af2 s GLU 24 Ca -0.03 -1.90 -0.20 0.00 0.03 0.00 0.00 54.97 52.87 2af2 s GLU 24 Cb 0.00 -0.33 0.14 0.00 -0.80 0.00 0.00 34.13 33.14 2af2 s GLU 24 CO 0.05 -0.37 1.58 0.66 -1.33 0.00 0.00 175.26 175.85 2af2 h SER 25 N 2.20 -1.19 -0.48 0.83 4.64 -1.95 0.33 113.55 117.94 2af2 h SER 25 Ca -0.36 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2af2 h SER 25 Cb 1.25 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2af2 h SER 25 CO 0.58 -0.30 0.00 0.59 -0.87 0.00 0.00 176.83 176.83 2af2 n ASN 26 N -5.44 3.06 -4.81 4.97 4.13 -1.26 -4.30 115.26 111.61 2af2 n ASN 26 Ca 0.05 -1.96 -0.33 0.00 1.68 0.00 0.00 54.58 54.02 2af2 n ASN 26 Cb 0.36 -0.31 -0.05 0.00 -1.54 0.00 0.00 39.78 38.24 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2af2 s GLY 27 N -1.23 2.42 0.94 7.41 0.00 0.11 -4.85 107.32 112.12 2af2 s GLY 27 Ca 0.39 0.49 -0.11 0.00 0.00 0.00 0.00 44.72 45.49 2af2 s GLY 27 CO 0.28 0.79 1.10 2.56 0.00 0.00 0.00 173.10 177.84 2af2 s PRO 28 N -3.29 0.83 -0.06 2.90 0.04 -1.26 -4.34 135.00 129.82 2af2 s PRO 28 Ca 0.65 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.92 2af2 s PRO 28 Cb -0.13 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2af2 s PRO 28 CO 0.18 -2.65 -0.11 0.08 0.04 0.00 0.00 177.00 174.55 2af2 s VAL 29 N -2.70 1.02 -0.08 -0.36 1.01 -0.87 -4.16 120.40 114.26 2af2 s VAL 29 Ca 0.66 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2af2 s VAL 29 Cb -0.22 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2af2 s VAL 29 CO 0.59 0.33 0.50 -0.75 0.00 0.00 0.00 175.10 175.77 2af2 s LYS 30 N 0.63 4.30 -0.03 2.72 2.20 -0.93 -2.33 119.74 126.29 2af2 s LYS 30 Ca -0.13 0.52 0.06 0.00 -0.36 0.00 0.00 55.97 56.06 2af2 s LYS 30 Cb -0.15 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 2af2 s LYS 30 CO 0.03 0.24 -0.20 0.08 -0.36 0.00 0.00 175.35 175.14 2af2 s VAL 31 N 0.33 1.61 0.25 4.02 1.01 0.75 -1.42 120.40 126.96 2af2 s VAL 31 Ca 0.27 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 2af2 s VAL 31 Cb -0.16 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2af2 s VAL 31 CO 0.12 0.46 0.62 -1.66 0.00 0.00 0.00 175.10 174.64 2af2 s TRP 32 N -0.26 -0.06 -5.00 5.22 -2.14 -0.90 -0.18 118.94 115.61 2af2 s TRP 32 Ca 0.02 -0.35 0.00 0.00 2.66 0.00 0.00 56.10 58.44 2af2 s TRP 32 Cb -0.10 0.52 0.00 0.00 -3.10 0.00 0.00 33.47 30.79 2af2 s TRP 32 CO 0.01 -1.11 0.00 0.41 -2.66 0.00 0.00 176.95 173.60 2af2 n GLY 33 N -0.42 0.26 3.41 3.67 0.00 -1.01 -1.25 105.19 109.85 2af2 n GLY 33 Ca -0.05 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.15 1.61 1.04 -1.10 -0.75 113.70 109.86 2af2 s SER 34 Ca 0.00 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.06 2af2 s SER 34 Cb 0.00 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2af2 s SER 34 CO 0.00 -0.45 -0.18 -0.63 0.98 0.00 0.00 173.24 172.95 2af2 s ILE 35 N -0.87 1.84 -0.07 -1.02 1.09 -0.34 -2.68 121.20 119.15 2af2 s ILE 35 Ca -0.09 -0.82 0.05 0.00 -1.10 0.00 0.00 60.65 58.69 2af2 s ILE 35 Cb -0.03 -1.67 -0.01 0.00 -1.06 0.00 0.00 42.46 39.70 2af2 s ILE 35 CO 0.06 0.50 -0.24 -0.75 -0.10 0.00 0.00 174.94 174.42 2af2 s LYS 36 N 1.17 2.61 0.00 2.79 2.20 -0.47 -0.98 119.74 127.07 2af2 s LYS 36 Ca -0.00 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2af2 s LYS 36 Cb -0.14 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2af2 s LYS 36 CO -0.08 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 2af2 n GLY 37 N 3.18 1.15 3.90 5.54 0.00 -0.30 -2.43 105.19 116.22 2af2 n GLY 37 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 3.14 0.04 0.99 1.43 -0.95 -4.74 118.68 118.59 2af2 s LEU 38 Ca 0.00 1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 54.05 2af2 s LEU 38 Cb 0.00 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 2af2 s LEU 38 CO 0.00 -1.09 0.30 0.28 0.23 0.00 0.00 176.35 176.07 2af2 s THR 39 N -3.14 5.25 0.40 5.49 -1.32 -1.26 -4.39 115.64 116.67 2af2 s THR 39 Ca 0.55 0.17 -0.25 0.00 -1.21 0.00 0.00 61.69 60.95 2af2 s THR 39 Cb -0.11 -3.59 -0.11 0.00 -1.51 0.00 0.00 72.50 67.18 2af2 s THR 39 CO 0.49 0.30 0.94 -1.84 -2.21 0.00 0.00 174.62 172.30 2af2 n GLU 40 N 0.91 1.22 0.00 7.08 0.00 -1.26 -4.55 120.64 124.03 2af2 n GLU 40 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.50 2af2 n GLU 40 Cb 0.52 -1.92 0.00 0.00 0.00 0.00 0.00 31.44 30.05 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2af2 n GLY 41 N 1.29 -4.03 3.64 -1.84 0.00 -0.03 -4.83 105.19 99.38 2af2 n GLY 41 Ca 0.10 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 2af2 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2af2 n LEU 42 N 0.00 4.16 -3.77 0.99 4.32 -1.26 -0.67 117.00 120.77 2af2 n LEU 42 Ca 0.00 0.75 -0.13 0.00 -0.02 0.00 0.00 56.01 56.61 2af2 n LEU 42 Cb 0.00 -1.43 -0.11 0.00 -1.62 0.00 0.00 43.42 40.25 2af2 n LEU 42 CO 0.00 -1.75 -0.05 -1.00 -1.22 0.00 0.00 177.39 173.36 2af2 s HIS 43 N -1.62 -0.33 0.78 -1.77 3.76 -0.31 -2.00 115.29 113.81 2af2 s HIS 43 Ca 0.77 0.79 -0.14 0.00 -0.15 0.00 0.00 55.06 56.32 2af2 s HIS 43 Cb -0.38 0.11 0.04 0.00 1.11 0.00 0.00 32.58 33.46 2af2 s HIS 43 CO 0.47 -0.16 1.03 0.41 -0.85 0.00 0.00 174.74 175.63 2af2 n GLY 44 N 3.08 -0.37 3.13 -2.22 0.00 -1.17 -0.03 105.19 107.61 2af2 n GLY 44 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 -1.65 -0.01 1.61 5.36 -1.20 -0.72 117.98 119.37 2af2 s PHE 45 Ca 0.72 0.57 -0.09 0.00 -0.96 0.00 0.00 56.93 57.17 2af2 s PHE 45 Cb -0.31 0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.61 2af2 s PHE 45 CO 0.52 -1.11 0.19 -1.01 -1.46 0.00 0.00 175.22 172.35 2af2 s HIS 46 N 2.32 -0.05 -0.45 10.12 3.76 -0.69 -2.95 115.29 127.37 2af2 s HIS 46 Ca 0.13 0.05 -0.27 0.00 -0.15 0.00 0.00 55.06 54.81 2af2 s HIS 46 Cb -0.08 0.00 0.03 0.00 1.11 0.00 0.00 32.58 33.64 2af2 s HIS 46 CO -0.17 -0.30 1.01 0.08 -0.85 0.00 0.00 174.74 174.51 2af2 s VAL 47 N -1.22 4.39 0.68 -0.90 1.01 0.85 -0.52 120.40 124.70 2af2 s VAL 47 Ca -0.13 1.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 2af2 s VAL 47 Cb -0.06 -4.49 0.03 0.00 0.00 0.00 0.00 36.38 31.86 2af2 s VAL 47 CO 0.02 -0.84 1.04 -1.00 0.00 0.00 0.00 175.10 174.31 2af2 s HIS 48 N 3.98 3.20 0.52 5.22 3.76 0.10 -3.85 115.29 128.23 2af2 s HIS 48 Ca 0.42 0.81 -0.23 0.00 -0.15 0.00 0.00 55.06 55.91 2af2 s HIS 48 Cb -0.09 -3.04 -0.06 0.00 1.11 0.00 0.00 32.58 30.50 2af2 s HIS 48 CO 0.27 -1.17 1.40 -0.85 -0.85 0.00 0.00 174.74 173.53 2af2 n GLU 49 N -2.90 1.89 0.00 1.40 0.28 -0.17 -2.45 120.64 118.70 2af2 n GLU 49 Ca 0.06 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.75 2af2 n GLU 49 Cb 0.58 -2.61 0.00 0.00 1.43 0.00 0.00 31.44 30.84 2af2 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2af2 n PHE 50 N -0.77 0.00 0.00 -1.84 1.16 -1.26 -4.20 117.46 110.55 2af2 n PHE 50 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 2af2 n PHE 50 Cb 0.44 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.31 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2af2 n GLY 51 N 5.00 2.06 2.49 4.97 0.00 -1.26 -3.49 105.19 114.97 2af2 n GLY 51 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2af2 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 52 N 6.20 0.51 -0.90 1.61 9.92 -1.26 -5.03 116.55 127.61 2af2 n ASP 52 Ca 0.00 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 2af2 n ASP 52 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2af2 n ASN 53 N 0.05 1.74 -0.13 -2.24 6.94 -1.23 -4.21 115.26 116.18 2af2 n ASN 53 Ca 0.13 -1.34 0.12 0.00 -0.02 0.00 0.00 54.58 53.48 2af2 n ASN 53 Cb 0.75 -0.33 0.31 0.00 -2.36 0.00 0.00 39.78 38.15 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2af2 n THR 54 N 0.56 0.00 1.05 5.53 -2.24 -1.26 -2.93 114.28 114.99 2af2 n THR 54 Ca 0.00 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2af2 n THR 54 Cb 0.30 0.35 0.08 0.00 -2.10 0.00 0.00 70.33 68.96 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N -1.05 3.36 -1.00 6.98 0.00 -1.26 -5.04 120.51 122.50 2af2 n ALA 55 Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2af2 n ALA 55 Cb 0.34 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.40 0.44 0.27 0.00 0.00 -1.11 -2.07 105.19 104.12 2af2 n GLY 56 Ca 0.10 0.61 0.13 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.60 0.71 -3.10 0.00 -1.04 -0.88 -4.89 114.28 102.48 2af2 n THR 58 Ca -0.02 -0.85 0.04 0.00 -2.04 0.00 0.00 64.05 61.18 2af2 n THR 58 Cb 0.27 0.72 0.00 0.00 -1.82 0.00 0.00 70.33 69.50 2af2 n THR 58 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2af2 s SER 59 N -1.00 -0.66 0.00 8.00 0.15 -0.17 -4.90 113.70 115.12 2af2 s SER 59 Ca 0.22 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2af2 s SER 59 Cb 0.12 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 2af2 s SER 59 CO 0.16 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.49 2af2 n ALA 60 N 4.91 0.00 -1.75 5.45 0.00 -1.20 -2.74 120.51 125.19 2af2 n ALA 60 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 2af2 n ALA 60 Cb 0.58 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 2.85 -0.75 0.00 0.00 -1.26 -4.48 107.32 103.68 2af2 s GLY 61 Ca 0.00 1.23 -0.26 0.00 0.00 0.00 0.00 44.72 45.69 2af2 s GLY 61 CO 0.00 1.70 1.90 2.56 0.00 0.00 0.00 173.10 179.26 2af2 s PRO 62 N -3.09 2.59 -0.88 2.90 0.04 -1.26 -0.99 135.00 134.30 2af2 s PRO 62 Ca 0.75 0.17 -0.06 0.00 0.04 0.00 0.00 61.00 61.91 2af2 s PRO 62 Cb -0.37 -4.72 0.01 0.00 0.04 0.00 0.00 34.50 29.46 2af2 s PRO 62 CO 0.42 -3.05 0.63 -2.39 0.04 0.00 0.00 177.00 172.66 2af2 n HIS 63 N 13.35 -2.05 -1.31 0.56 1.44 -1.25 -4.71 115.22 121.25 2af2 n HIS 63 Ca 0.30 0.75 -0.44 0.00 -2.01 0.00 0.00 57.72 56.32 2af2 n HIS 63 Cb 0.50 -2.95 -0.02 0.00 0.12 0.00 0.00 29.99 27.64 2af2 n HIS 63 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2af2 n PHE 64 N -2.94 -1.13 -1.98 -1.40 -0.00 -1.26 -4.44 117.46 104.30 2af2 n PHE 64 Ca -0.25 0.79 -0.37 0.00 -0.00 0.00 0.00 57.45 57.63 2af2 n PHE 64 Cb 0.65 -1.81 0.03 0.00 -0.00 0.00 0.00 39.48 38.35 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2af2 n ASN 65 N 2.07 6.94 0.16 -2.13 6.94 -1.26 -2.74 115.26 125.24 2af2 n ASN 65 Ca 0.15 -3.81 0.13 0.00 -0.02 0.00 0.00 54.58 51.03 2af2 n ASN 65 Cb 0.30 -0.93 0.54 0.00 -2.36 0.00 0.00 39.78 37.34 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 2.82 0.00 0.00 -0.53 0.13 -1.95 0.51 132.00 132.97 2af2 h PRO 66 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 2af2 h PRO 66 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2af2 h PRO 66 CO 1.32 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.37 2af2 n LEU 67 N -2.42 0.00 -2.34 1.56 7.99 -1.26 -4.97 117.00 115.56 2af2 n LEU 67 Ca 0.02 0.16 -0.08 0.00 -0.01 0.00 0.00 56.01 56.10 2af2 n LEU 67 Cb 0.24 -0.16 0.04 0.00 -0.11 0.00 0.00 43.42 43.43 2af2 n LEU 67 CO 0.21 -0.01 0.02 -0.24 -1.51 0.00 0.00 177.39 175.86 2af2 n SER 68 N -1.16 -3.81 -3.34 -1.43 2.88 0.17 -5.03 113.62 101.90 2af2 n SER 68 Ca 0.17 -0.35 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 2af2 n SER 68 Cb 0.17 -2.86 -0.02 0.00 -0.75 0.00 0.00 64.21 60.75 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 -3.92 1.92 0.56 -1.46 1.70 -1.26 -5.16 118.95 111.33 2af2 s ARG 69 Ca 0.18 -1.53 -0.01 0.00 -0.47 0.00 0.00 55.73 53.90 2af2 s ARG 69 Cb -0.02 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 2af2 s ARG 69 CO 0.37 -0.83 0.80 -1.59 -1.08 0.00 0.00 175.30 172.97 2af2 s LYS 70 N -3.09 2.64 0.69 3.89 -2.85 -1.26 -4.88 119.74 114.89 2af2 s LYS 70 Ca 0.24 -0.55 -0.11 0.00 -1.00 0.00 0.00 55.97 54.55 2af2 s LYS 70 Cb -0.02 -2.43 0.01 0.00 -2.06 0.00 0.00 37.83 33.33 2af2 s LYS 70 CO 0.15 -0.70 1.06 -1.58 0.10 0.00 0.00 175.35 174.38 2af2 s HIS 71 N -2.82 3.18 0.00 1.78 5.65 -0.26 -2.52 115.29 120.30 2af2 s HIS 71 Ca 0.55 1.36 0.00 0.00 0.25 0.00 0.00 55.06 57.23 2af2 s HIS 71 Cb -0.10 -2.88 0.00 0.00 -1.18 0.00 0.00 32.58 28.42 2af2 s HIS 71 CO 0.40 -1.19 0.00 0.41 -0.65 0.00 0.00 174.74 173.71 2af2 n GLY 72 N -2.15 0.79 0.00 1.59 0.00 -1.26 -3.31 105.19 100.84 2af2 n GLY 72 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 3.06 0.14 -0.02 0.00 -1.26 -4.67 105.19 102.44 2af2 n GLY 73 Ca 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.28 2af2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2af2 h PRO 74 N 0.00 0.00 0.00 1.61 0.13 -1.95 -3.35 132.00 128.45 2af2 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2af2 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2af2 h PRO 74 CO 0.00 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.13 2af2 n LYS 75 N -2.54 1.70 -3.27 0.86 -0.00 -1.26 -5.09 118.16 108.56 2af2 n LYS 75 Ca 0.05 -0.10 -0.19 0.00 -0.00 0.00 0.00 58.31 58.07 2af2 n LYS 75 Cb 0.47 -0.45 -0.01 0.00 -0.00 0.00 0.00 35.03 35.04 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 -0.27 5.48 0.00 -5.58 -1.08 -1.26 -5.07 116.67 108.89 2af2 s ASP 76 Ca 0.00 -0.51 0.21 0.00 -0.52 0.00 0.00 52.55 51.73 2af2 s ASP 76 Cb 0.00 -0.70 -0.10 0.00 -1.46 0.00 0.00 42.92 40.66 2af2 s ASP 76 CO 0.00 -0.67 0.96 -0.62 0.52 0.00 0.00 175.17 175.35 2af2 n GLU 77 N -1.71 0.90 0.00 4.34 4.71 -1.26 -4.29 120.64 123.33 2af2 n GLU 77 Ca 0.05 -0.54 0.00 0.00 -0.01 0.00 0.00 57.16 56.66 2af2 n GLU 77 Cb 0.60 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 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 -0.67 0.00 -0.08 3.49 -0.58 -1.26 -5.08 120.64 116.46 2af2 n GLU 78 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2af2 n GLU 78 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.26 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 -0.71 -0.22 -1.67 3.49 0.00 -1.05 -4.89 116.66 111.62 2af2 n ARG 79 Ca 0.00 0.16 -0.22 0.00 -0.00 0.00 0.00 57.85 57.79 2af2 n ARG 79 Cb 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 32.46 32.42 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2af2 n HIS 80 N -1.03 -3.77 0.34 -0.14 8.25 -1.25 -4.90 115.22 112.72 2af2 n HIS 80 Ca 0.00 -1.05 0.08 0.00 -0.26 0.00 0.00 57.72 56.49 2af2 n HIS 80 Cb 0.00 -0.76 0.35 0.00 1.12 0.00 0.00 29.99 30.70 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 -3.25 1.12 -1.15 1.59 3.14 -1.11 -3.84 118.33 114.83 2af2 n VAL 81 Ca 0.13 0.35 0.01 0.00 -2.96 0.00 0.00 64.34 61.87 2af2 n VAL 81 Cb 0.46 -1.23 0.01 0.00 -1.06 0.00 0.00 33.84 32.02 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 -0.43 -0.20 3.54 7.55 0.00 -1.26 -4.94 105.19 109.45 2af2 n GLY 82 Ca 0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.75 6.33 -0.45 1.61 1.01 -1.25 -0.10 116.67 123.05 2af2 s ASP 83 Ca 0.03 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.16 2af2 s ASP 83 Cb 0.03 -2.29 0.42 0.00 1.01 0.00 0.00 42.92 42.09 2af2 s ASP 83 CO 0.00 -0.62 1.19 0.18 0.21 0.00 0.00 175.17 176.14 2af2 n LEU 84 N 5.97 4.96 0.00 1.23 4.77 -1.15 -4.92 117.00 127.86 2af2 n LEU 84 Ca -0.03 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.82 2af2 n LEU 84 Cb 0.48 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2af2 n LEU 84 CO 0.49 2.18 0.00 0.61 -1.33 0.00 0.00 177.39 179.34 2af2 n GLY 85 N -0.52 0.06 3.22 -0.72 0.00 -1.25 -4.92 105.19 101.07 2af2 n GLY 85 Ca 0.41 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2af2 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 86 N -4.00 1.69 -0.33 1.61 0.02 -1.26 -3.27 114.94 109.39 2af2 s ASN 86 Ca 0.00 -0.93 -0.02 0.00 -1.02 0.00 0.00 52.86 50.89 2af2 s ASN 86 Cb 0.00 -0.01 0.07 0.00 0.02 0.00 0.00 41.25 41.33 2af2 s ASN 86 CO 0.00 -0.30 0.07 0.68 0.02 0.00 0.00 177.10 177.57 2af2 s VAL 87 N -2.96 3.09 -0.30 1.60 -7.23 0.96 -4.92 120.40 110.64 2af2 s VAL 87 Ca 0.12 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 2af2 s VAL 87 Cb 0.00 -2.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 2af2 s VAL 87 CO 0.00 -0.30 0.11 -0.89 -0.31 0.00 0.00 175.10 173.72 2af2 s THR 88 N 1.22 4.26 0.24 5.32 2.01 -1.26 -1.16 115.64 126.26 2af2 s THR 88 Ca -0.00 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 2af2 s THR 88 Cb -0.21 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 2af2 s THR 88 CO -0.02 0.10 0.64 0.00 -0.69 0.00 0.00 174.62 174.65 2af2 s ALA 89 N 1.56 3.46 0.37 7.40 0.00 0.16 -4.26 121.76 130.44 2af2 s ALA 89 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2af2 s ALA 89 Cb -0.17 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2af2 s ALA 89 CO 0.04 0.41 0.57 0.34 0.00 0.00 0.00 175.76 177.12 2af2 s ASP 90 N -2.05 6.23 0.33 0.00 2.15 0.23 -0.86 116.67 122.70 2af2 s ASP 90 Ca 0.46 0.44 0.17 0.00 0.43 0.00 0.00 52.55 54.06 2af2 s ASP 90 Cb -0.13 -1.97 0.95 0.00 -0.30 0.00 0.00 42.92 41.48 2af2 s ASP 90 CO 0.19 -0.36 1.48 2.29 -0.17 0.00 0.00 175.17 178.60 2af2 n LYS 91 N -1.85 0.12 0.00 4.34 0.00 -1.26 -0.67 118.16 118.84 2af2 n LYS 91 Ca -0.04 0.61 0.08 0.00 -0.00 0.00 0.00 58.31 58.96 2af2 n LYS 91 Cb 0.56 -2.03 0.40 0.00 -0.00 0.00 0.00 35.03 33.96 2af2 n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2af2 n ASP 92 N -2.16 0.00 0.00 -5.58 2.03 -1.26 -4.86 116.55 104.72 2af2 n ASP 92 Ca -0.01 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2af2 n ASP 92 Cb 0.18 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.03 0.60 3.18 0.27 0.00 0.15 -4.88 105.19 104.55 2af2 n GLY 93 Ca 0.08 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 1.92 -0.42 1.61 0.11 -1.09 -1.14 120.40 119.39 2af2 s VAL 94 Ca 0.00 -0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 57.94 2af2 s VAL 94 Cb 0.00 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 2af2 s VAL 94 CO 0.00 0.53 0.48 0.00 -3.33 0.00 0.00 175.10 172.77 2af2 s ALA 95 N 0.50 3.42 -0.01 1.54 0.00 -0.15 -0.60 121.76 126.46 2af2 s ALA 95 Ca -0.16 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.22 2af2 s ALA 95 Cb -0.17 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2af2 s ALA 95 CO 0.06 -1.58 0.47 0.34 0.00 0.00 0.00 175.76 175.04 2af2 s ASP 96 N 1.84 6.84 0.04 0.00 2.15 -1.26 -1.20 116.67 125.08 2af2 s ASP 96 Ca 0.14 1.00 0.02 0.00 0.43 0.00 0.00 52.55 54.15 2af2 s ASP 96 Cb -0.16 -2.29 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2af2 s ASP 96 CO 0.15 0.22 -0.08 0.54 -0.17 0.00 0.00 175.17 175.83 2af2 s VAL 97 N -0.62 0.57 -0.22 1.11 0.11 0.07 -4.78 120.40 116.64 2af2 s VAL 97 Ca 0.26 -1.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.13 2af2 s VAL 97 Cb -0.17 -0.63 0.08 0.00 -1.53 0.00 0.00 36.38 34.13 2af2 s VAL 97 CO 0.14 -0.36 0.53 -0.44 -3.33 0.00 0.00 175.10 171.64 2af2 s SER 98 N -1.54 -0.68 0.15 3.54 0.01 -1.26 -2.42 113.70 111.51 2af2 s SER 98 Ca -0.09 1.18 -0.02 0.00 1.31 0.00 0.00 55.95 58.33 2af2 s SER 98 Cb -0.10 1.22 -0.04 0.00 0.21 0.00 0.00 66.02 67.32 2af2 s SER 98 CO 0.00 -0.22 0.10 -0.63 0.41 0.00 0.00 173.24 172.91 2af2 s ILE 99 N 1.83 0.08 0.04 1.44 -1.09 0.75 -5.00 121.20 119.24 2af2 s ILE 99 Ca -0.08 -1.88 -0.21 0.00 -2.23 0.00 0.00 60.65 56.25 2af2 s ILE 99 Cb -0.08 -2.13 0.05 0.00 -1.58 0.00 0.00 42.46 38.71 2af2 s ILE 99 CO -0.16 -0.34 0.48 -0.70 -1.23 0.00 0.00 174.94 173.00 2af2 s GLU 100 N -4.07 0.99 -0.02 2.79 2.12 -1.26 -0.18 118.70 119.08 2af2 s GLU 100 Ca 0.27 -0.27 -0.24 0.00 0.36 0.00 0.00 54.97 55.09 2af2 s GLU 100 Cb 0.07 0.45 0.05 0.00 0.26 0.00 0.00 34.13 34.96 2af2 s GLU 100 CO 0.04 -0.35 0.52 0.34 -0.54 0.00 0.00 175.26 175.27 2af2 s ASP 101 N -1.96 -0.46 -0.50 -1.70 2.15 -0.99 -4.98 116.67 108.23 2af2 s ASP 101 Ca -0.05 0.40 0.05 0.00 0.43 0.00 0.00 52.55 53.37 2af2 s ASP 101 Cb -0.01 0.45 0.39 0.00 -0.30 0.00 0.00 42.92 43.46 2af2 s ASP 101 CO -0.02 -0.58 1.11 -1.54 -0.17 0.00 0.00 175.17 173.97 2af2 n SER 102 N 0.92 4.78 0.00 -0.34 3.41 -1.26 -2.04 113.62 119.10 2af2 n SER 102 Ca -0.20 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 2af2 n SER 102 Cb 0.57 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2af2 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2af2 n VAL 103 N -0.41 0.00 -1.86 -3.33 0.31 -1.26 -4.98 118.33 106.80 2af2 n VAL 103 Ca 0.37 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.39 2af2 n VAL 103 Cb 0.56 -0.25 0.01 0.00 -0.91 0.00 0.00 33.84 33.26 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2af2 s ILE 104 N -1.42 4.66 0.25 2.52 -0.00 -1.26 -5.01 121.20 120.94 2af2 s ILE 104 Ca 0.00 0.86 -0.17 0.00 -0.00 0.00 0.00 60.65 61.34 2af2 s ILE 104 Cb 0.00 -3.85 0.01 0.00 -0.00 0.00 0.00 42.46 38.63 2af2 s ILE 104 CO 0.00 -1.13 0.60 -0.94 -0.00 0.00 0.00 174.94 173.47 2af2 s SER 105 N -4.17 -0.21 -0.57 4.36 1.04 -1.26 -4.25 113.70 108.64 2af2 s SER 105 Ca 0.55 -0.69 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 2af2 s SER 105 Cb -0.11 0.65 0.08 0.00 0.10 0.00 0.00 66.02 66.74 2af2 s SER 105 CO 0.54 -1.22 0.72 -0.76 0.98 0.00 0.00 173.24 173.51 2af2 s LEU 106 N -2.94 5.04 0.00 2.42 1.02 -1.26 -0.57 118.68 122.38 2af2 s LEU 106 Ca 0.15 -1.13 0.00 0.00 0.02 0.00 0.00 54.13 53.16 2af2 s LEU 106 Cb -0.03 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.78 2af2 s LEU 106 CO 0.06 -1.08 0.00 -1.20 0.02 0.00 0.00 176.35 174.14 2af2 n SER 107 N 6.51 0.00 0.00 2.29 7.64 -0.16 -4.88 113.62 125.01 2af2 n SER 107 Ca -0.07 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2af2 n SER 107 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2af2 n GLY 108 N 0.00 1.44 0.10 0.23 0.00 0.36 -4.51 105.19 102.81 2af2 n GLY 108 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 2af2 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2af2 h ASP 109 N 0.00 -0.12 1.15 1.61 1.82 -1.86 -3.24 116.42 115.79 2af2 h ASP 109 Ca 0.00 -0.40 -0.16 0.00 -0.39 0.00 0.00 57.03 56.09 2af2 h ASP 109 Cb 0.00 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 2af2 h ASP 109 CO 0.00 0.37 -0.74 0.45 -1.61 0.00 0.00 179.24 177.71 2af2 h HIS 110 N -0.63 0.00 0.00 0.28 3.86 -1.96 -3.48 115.15 113.22 2af2 h HIS 110 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2af2 h HIS 110 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2af2 h HIS 110 CO 0.08 0.74 0.00 0.43 0.86 0.00 0.00 177.93 180.04 2af2 n SER 111 N -3.35 0.00 -4.83 2.45 7.64 -1.22 -5.01 113.62 109.30 2af2 n SER 111 Ca 0.01 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.64 2af2 n SER 111 Cb 0.81 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.97 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 3.72 2.08 0.00 0.44 -4.36 0.26 -4.76 121.20 118.58 2af2 s ILE 112 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2af2 s ILE 112 Cb 0.00 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.08 2af2 s ILE 112 CO 0.00 0.00 0.00 -0.38 0.24 0.00 0.00 174.94 174.80 2af2 n ILE 113 N -1.51 -0.48 -2.00 8.37 2.08 -1.26 -0.49 119.36 124.07 2af2 n ILE 113 Ca -0.01 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.11 2af2 n ILE 113 Cb 0.64 -0.17 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 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 0.84 0.62 3.40 7.39 0.00 0.68 -4.04 105.19 114.08 2af2 n GLY 114 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2af2 n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2af2 s ARG 115 N -4.37 1.46 -0.34 1.61 3.52 -1.26 -4.69 118.95 114.88 2af2 s ARG 115 Ca 0.00 -1.55 -0.03 0.00 -0.13 0.00 0.00 55.73 54.02 2af2 s ARG 115 Cb 0.00 -1.60 0.06 0.00 -1.56 0.00 0.00 34.95 31.85 2af2 s ARG 115 CO 0.00 0.32 0.07 -0.08 -0.81 0.00 0.00 175.30 174.81 2af2 s THR 116 N -2.08 3.25 0.01 4.11 -1.32 -1.02 -1.36 115.64 117.23 2af2 s THR 116 Ca 0.21 -1.48 -0.30 0.00 -1.21 0.00 0.00 61.69 58.91 2af2 s THR 116 Cb -0.06 -2.95 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2af2 s THR 116 CO 0.10 -0.26 1.10 -0.22 -2.21 0.00 0.00 174.62 173.13 2af2 s LEU 117 N 1.26 4.35 -0.06 9.08 2.96 -0.41 0.00 118.68 135.87 2af2 s LEU 117 Ca -0.01 1.82 0.05 0.00 -0.22 0.00 0.00 54.13 55.76 2af2 s LEU 117 Cb -0.20 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 2af2 s LEU 117 CO -0.01 -0.41 -0.21 0.68 -1.32 0.00 0.00 176.35 175.08 2af2 s VAL 118 N 1.29 2.39 0.09 1.68 -7.23 0.32 -0.60 120.40 118.35 2af2 s VAL 118 Ca 0.55 -0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 2af2 s VAL 118 Cb -0.25 -1.89 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 2af2 s VAL 118 CO 0.27 0.57 0.44 0.68 -0.31 0.00 0.00 175.10 176.75 2af2 s VAL 119 N -0.31 5.02 0.23 1.32 -7.23 0.09 -1.70 120.40 117.83 2af2 s VAL 119 Ca 0.01 0.58 0.05 0.00 -1.81 0.00 0.00 61.98 60.81 2af2 s VAL 119 Cb -0.13 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 2af2 s VAL 119 CO 0.02 0.29 0.29 -1.00 -0.31 0.00 0.00 175.10 174.40 2af2 s HIS 120 N -1.40 3.34 0.15 2.82 3.76 0.10 -0.79 115.29 123.28 2af2 s HIS 120 Ca 0.34 -0.03 -0.03 0.00 -0.15 0.00 0.00 55.06 55.19 2af2 s HIS 120 Cb -0.14 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 2af2 s HIS 120 CO 0.18 0.48 1.36 1.49 -0.85 0.00 0.00 174.74 177.40 2af2 h GLU 121 N 1.48 0.43 -5.06 1.40 4.22 -0.74 -3.41 114.58 112.90 2af2 h GLU 121 Ca -0.50 -0.40 -0.63 0.00 0.08 0.00 0.00 59.36 57.90 2af2 h GLU 121 Cb 1.23 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.45 2af2 h GLU 121 CO 0.62 1.05 -0.49 0.15 -2.18 0.00 0.00 179.01 178.16 2af2 s LYS 122 N -3.45 2.11 0.35 1.92 1.02 0.16 -4.93 119.74 116.92 2af2 s LYS 122 Ca -0.06 -2.34 -0.28 0.00 0.02 0.00 0.00 55.97 53.32 2af2 s LYS 122 Cb 0.10 -0.97 -0.12 0.00 -0.52 0.00 0.00 37.83 36.31 2af2 s LYS 122 CO 0.86 -0.49 1.25 0.00 -0.92 0.00 0.00 175.35 176.05 2af2 n ALA 123 N -1.12 1.13 -2.69 5.17 0.00 -0.85 -3.04 120.51 119.11 2af2 n ALA 123 Ca -0.13 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 2af2 n ALA 123 Cb 0.66 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 2af2 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2af2 s ASP 124 N -0.37 6.72 0.42 0.00 -1.08 -1.26 -4.12 116.67 116.98 2af2 s ASP 124 Ca 0.57 0.86 0.26 0.00 -0.52 0.00 0.00 52.55 53.72 2af2 s ASP 124 Cb -0.57 -2.29 0.69 0.00 -1.46 0.00 0.00 42.92 39.29 2af2 s ASP 124 CO 0.61 0.03 1.73 -0.78 0.52 0.00 0.00 175.17 177.28 2af2 h ASP 125 N 6.51 0.00 -5.24 -0.34 1.82 -1.44 -3.48 116.42 114.25 2af2 h ASP 125 Ca -0.42 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 55.96 2af2 h ASP 125 Cb 1.18 0.00 0.16 0.00 0.68 0.00 0.00 39.33 41.36 2af2 h ASP 125 CO 0.74 0.00 -0.73 0.18 -1.61 0.00 0.00 179.24 177.83 2af2 n LEU 126 N -2.93 -4.47 0.00 2.28 4.77 -1.26 -4.50 117.00 110.90 2af2 n LEU 126 Ca 0.03 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2af2 n LEU 126 Cb 0.44 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 2af2 n LEU 126 CO 0.31 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2af2 n GLY 127 N -1.18 1.51 2.70 -0.72 0.00 -1.21 -4.31 105.19 101.99 2af2 n GLY 127 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2af2 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2af2 n LYS 128 N -0.14 0.63 -1.86 1.61 0.00 -1.26 -4.04 118.16 113.10 2af2 n LYS 128 Ca 0.00 -1.40 -0.34 0.00 -0.00 0.00 0.00 58.31 56.57 2af2 n LYS 128 Cb 0.00 -0.72 0.04 0.00 -0.00 0.00 0.00 35.03 34.35 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2af2 n GLY 129 N 0.66 5.83 4.19 2.58 0.00 -1.26 -4.93 105.19 112.26 2af2 n GLY 129 Ca 0.02 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.67 2.13 3.89 -0.02 0.00 -1.26 -4.86 105.19 104.40 2af2 n GLY 130 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 2af2 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 131 N -0.25 6.48 0.11 1.61 0.01 -1.26 -5.01 114.94 116.64 2af2 s ASN 131 Ca 0.00 0.89 -0.26 0.00 -0.71 0.00 0.00 52.86 52.77 2af2 s ASN 131 Cb 0.00 -2.22 -0.08 0.00 0.41 0.00 0.00 41.25 39.36 2af2 s ASN 131 CO 0.00 -0.27 1.64 -0.08 -1.51 0.00 0.00 177.10 176.88 2af2 h GLU 132 N 1.54 -0.42 -0.91 -0.60 4.22 -2.03 -2.84 114.58 113.55 2af2 h GLU 132 Ca -0.47 0.03 0.21 0.00 0.08 0.00 0.00 59.36 59.20 2af2 h GLU 132 Cb 1.19 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 2af2 h GLU 132 CO 0.65 -0.28 0.60 1.49 -2.18 0.00 0.00 179.01 179.29 2af2 h GLU 133 N -0.44 0.39 -0.44 1.92 4.22 -1.98 -2.13 114.58 116.12 2af2 h GLU 133 Ca 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2af2 h GLU 133 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2af2 h GLU 133 CO -0.16 0.26 0.29 0.66 -2.18 0.00 0.00 179.01 177.88 2af2 h SER 134 N 0.40 0.51 1.23 1.04 4.64 -1.83 0.13 113.55 119.67 2af2 h SER 134 Ca 0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2af2 h SER 134 Cb 1.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2af2 h SER 134 CO -0.18 0.37 0.00 0.35 -0.87 0.00 0.00 176.83 176.50 2af2 n THR 135 N -4.47 0.63 -0.12 2.95 -2.24 -0.80 -1.87 114.28 108.36 2af2 n THR 135 Ca 0.04 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 2af2 n THR 135 Cb 0.06 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 2af2 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2af2 n LYS 136 N -2.20 0.56 -0.11 -0.78 5.02 -0.33 -1.10 118.16 119.22 2af2 n LYS 136 Ca 0.05 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.44 2af2 n LYS 136 Cb 0.37 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 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 -4.32 1.43 0.00 -0.18 -2.24 0.31 -4.63 114.28 104.65 2af2 n THR 137 Ca -0.39 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 2af2 n THR 137 Cb 0.75 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2af2 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2af2 n GLY 138 N 1.98 0.79 2.42 3.38 0.00 -0.78 -4.73 105.19 108.24 2af2 n GLY 138 Ca -0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2af2 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2af2 n ASN 139 N 0.00 -5.14 -1.95 1.61 4.05 -1.26 -1.11 115.26 111.46 2af2 n ASN 139 Ca 0.00 0.25 -0.06 0.00 0.45 0.00 0.00 54.58 55.22 2af2 n ASN 139 Cb 0.00 -4.44 -0.08 0.00 1.23 0.00 0.00 39.78 36.49 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 -0.49 4.40 0.00 5.20 0.00 -1.26 -4.76 120.51 123.59 2af2 n ALA 140 Ca -0.20 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2af2 n ALA 140 Cb 0.64 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 2.27 1.30 0.00 0.00 0.00 -1.26 -0.67 105.19 106.83 2af2 n GLY 141 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 3.36 0.00 -4.82 1.61 2.88 -1.26 -4.91 113.62 110.48 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 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -2.00 3.66 0.00 -1.46 3.03 -1.26 -0.96 118.95 119.96 2af2 s ARG 143 Ca 0.00 1.14 0.00 0.00 2.03 0.00 0.00 55.73 58.90 2af2 s ARG 143 Cb 0.00 -2.09 0.00 0.00 -1.03 0.00 0.00 34.95 31.83 2af2 s ARG 143 CO 0.00 -0.53 0.00 -0.11 -1.13 0.00 0.00 175.30 173.53 2af2 n LEU 144 N -1.64 0.00 -4.63 -1.89 0.00 0.03 -4.38 117.00 104.49 2af2 n LEU 144 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.67 2af2 n LEU 144 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 2af2 n LEU 144 CO 0.45 0.00 0.67 0.00 0.00 0.00 0.00 177.39 178.51 2af2 n ALA 145 N -3.00 0.39 -2.53 1.96 0.00 -1.24 -4.48 120.51 111.60 2af2 n ALA 145 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 2af2 n ALA 145 Cb 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.23 2af2 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2af2 s GLY 147 N -2.30 -0.53 -0.06 0.00 0.00 0.23 -3.25 107.32 101.42 2af2 s GLY 147 Ca 0.02 1.99 -0.30 0.00 0.00 0.00 0.00 44.72 46.43 2af2 s GLY 147 CO -0.01 2.42 1.08 0.14 0.00 0.00 0.00 173.10 176.72 2af2 s VAL 148 N 2.15 4.58 -0.11 1.40 1.01 -1.26 -1.29 120.40 126.88 2af2 s VAL 148 Ca -0.07 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2af2 s VAL 148 Cb -0.09 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2af2 s VAL 148 CO -0.16 0.04 1.08 -0.63 0.00 0.00 0.00 175.10 175.43 2af2 s ILE 149 N 1.81 4.59 0.38 2.22 1.01 -0.46 -4.80 121.20 125.95 2af2 s ILE 149 Ca 0.52 1.88 0.08 0.00 0.00 0.00 0.00 60.65 63.13 2af2 s ILE 149 Cb -0.22 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 37.97 2af2 s ILE 149 CO 0.22 -0.02 -0.03 -0.83 0.00 0.00 0.00 174.94 174.28 2af2 s GLY 150 N 1.26 2.34 0.30 6.18 0.00 -0.78 -0.23 107.32 116.40 2af2 s GLY 150 Ca 0.50 -2.20 0.08 0.00 0.00 0.00 0.00 44.72 43.10 2af2 s GLY 150 CO 0.18 -2.05 0.21 -0.26 0.00 0.00 0.00 173.10 171.18 2af2 s ILE 151 N -2.72 3.76 0.00 0.90 -5.25 -1.26 -0.82 121.20 115.80 2af2 s ILE 151 Ca 0.34 -1.49 0.00 0.00 -0.99 0.00 0.00 60.65 58.51 2af2 s ILE 151 Cb 0.07 -3.19 0.00 0.00 2.95 0.00 0.00 42.46 42.29 2af2 s ILE 151 CO 0.17 -0.26 0.00 0.00 -1.79 0.00 0.00 174.94 173.06 2af2 n ALA 152 N -1.23 0.19 -0.56 2.27 0.00 -1.13 -4.90 120.51 115.16 2af2 n ALA 152 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2af2 n ALA 152 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44