#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f52 s LEU 2 N 0.00 3.67 -0.01 4.03 1.43 -0.76 -4.94 118.68 122.10 2f52 s LEU 2 Ca 0.00 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2f52 s LEU 2 Cb 0.00 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2f52 s LEU 2 CO 0.00 -0.14 -0.22 -0.70 0.23 0.00 0.00 176.35 175.53 2f52 s GLU 3 N -3.87 1.73 -0.00 1.70 2.12 -1.26 -1.28 118.70 117.83 2f52 s GLU 3 Ca 0.35 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 2f52 s GLU 3 Cb -0.07 -1.68 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2f52 s GLU 3 CO 0.25 0.46 0.13 0.20 -0.54 0.00 0.00 175.26 175.76 2f52 s GLY 4 N -0.55 0.03 -0.06 -1.50 0.00 0.21 -4.49 107.32 100.96 2f52 s GLY 4 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 2f52 s GLY 4 CO -0.01 -0.20 0.12 0.54 0.00 0.00 0.00 173.10 173.55 2f52 s LYS 5 N -1.18 3.31 -0.31 2.90 1.02 -1.06 -0.64 119.74 123.77 2f52 s LYS 5 Ca -0.13 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 2f52 s LYS 5 Cb -0.07 -3.05 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 2f52 s LYS 5 CO 0.01 0.72 1.43 0.08 -0.92 0.00 0.00 175.35 176.67 2f52 s VAL 6 N -1.12 3.94 0.02 3.17 1.01 -0.69 0.29 120.40 127.02 2f52 s VAL 6 Ca 0.19 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 2f52 s VAL 6 Cb -0.12 -4.04 -0.31 0.00 0.00 0.00 0.00 36.38 31.91 2f52 s VAL 6 CO 0.09 -0.50 1.02 0.50 0.00 0.00 0.00 175.10 176.22 2f52 h LYS 7 N 10.16 0.50 -2.62 2.72 3.64 -0.56 0.79 116.57 131.21 2f52 h LYS 7 Ca -0.29 -0.73 -0.03 0.00 -1.27 0.00 0.00 60.65 58.34 2f52 h LYS 7 Cb 1.12 0.25 -0.15 0.00 -0.41 0.00 0.00 32.23 33.04 2f52 h LYS 7 CO 1.04 1.33 0.22 -0.46 -2.27 0.00 0.00 179.45 179.31 2f52 s TRP 8 N -2.78 -0.57 -0.16 1.91 -0.00 -1.06 -4.63 118.94 111.65 2f52 s TRP 8 Ca -0.11 0.60 -0.21 0.00 -0.00 0.00 0.00 56.10 56.38 2f52 s TRP 8 Cb 0.04 0.51 0.05 0.00 -0.00 0.00 0.00 33.47 34.07 2f52 s TRP 8 CO 0.90 -0.75 0.54 -0.59 -0.00 0.00 0.00 176.95 177.05 2f52 s PHE 9 N -2.83 -0.56 -0.21 5.86 -0.71 -1.26 0.27 117.98 118.54 2f52 s PHE 9 Ca -0.03 1.26 -0.00 0.00 -1.04 0.00 0.00 56.93 57.12 2f52 s PHE 9 Cb -0.01 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2f52 s PHE 9 CO -0.05 -0.36 -0.14 1.21 -1.34 0.00 0.00 175.22 174.55 2f52 s ASN 10 N -0.17 3.67 0.26 1.98 3.84 -1.05 -4.89 114.94 118.58 2f52 s ASN 10 Ca -0.04 -0.68 0.21 0.00 0.21 0.00 0.00 52.86 52.57 2f52 s ASN 10 Cb -0.03 -1.57 1.00 0.00 -0.55 0.00 0.00 41.25 40.10 2f52 s ASN 10 CO 0.03 -0.04 1.65 -1.54 -2.79 0.00 0.00 177.10 174.41 2f52 n SER 11 N 4.65 0.57 0.02 -4.21 3.41 -1.26 -1.78 113.62 115.02 2f52 n SER 11 Ca -0.19 0.69 -0.20 0.00 -0.26 0.00 0.00 58.87 58.91 2f52 n SER 11 Cb 0.49 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 2f52 n SER 11 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f52 h GLU 12 N 0.00 0.26 -0.32 4.33 5.08 -1.94 -3.36 114.58 118.63 2f52 h GLU 12 Ca 0.00 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 2f52 h GLU 12 Cb 0.19 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2f52 h GLU 12 CO 0.00 1.14 -0.09 0.87 -1.00 0.00 0.00 179.01 179.93 2f52 h LYS 13 N 0.07 0.63 0.00 2.33 1.57 -1.81 -3.47 116.57 115.89 2f52 h LYS 13 Ca -0.38 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2f52 h LYS 13 Cb 2.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2f52 h LYS 13 CO 0.11 0.82 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 2f52 n GLY 14 N -0.15 0.65 3.41 3.86 0.00 -0.74 -5.03 105.19 107.20 2f52 n GLY 14 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2f52 n GLY 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2f52 s PHE 15 N -2.00 1.20 0.22 1.61 -0.71 -1.25 -2.55 117.98 114.50 2f52 s PHE 15 Ca 0.00 -1.36 -0.05 0.00 -1.04 0.00 0.00 56.93 54.48 2f52 s PHE 15 Cb 0.00 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2f52 s PHE 15 CO 0.00 -0.99 0.25 0.20 -1.34 0.00 0.00 175.22 173.34 2f52 s GLY 16 N -3.25 1.15 -0.15 1.99 0.00 -0.84 -2.53 107.32 103.69 2f52 s GLY 16 Ca 0.34 -1.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 2f52 s GLY 16 CO 0.20 -1.14 -0.07 -1.36 0.00 0.00 0.00 173.10 170.74 2f52 s PHE 17 N -4.08 2.94 0.03 1.90 0.08 0.14 -1.32 117.98 117.67 2f52 s PHE 17 Ca 0.33 -0.50 0.04 0.00 0.12 0.00 0.00 56.93 56.92 2f52 s PHE 17 Cb 0.04 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2f52 s PHE 17 CO 0.11 -0.16 -0.07 0.42 -0.10 0.00 0.00 175.22 175.42 2f52 s ILE 18 N 0.50 3.58 -0.34 0.64 1.01 0.22 0.21 121.20 127.01 2f52 s ILE 18 Ca -0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 2f52 s ILE 18 Cb -0.15 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.77 2f52 s ILE 18 CO 0.03 0.33 0.12 -0.70 0.00 0.00 0.00 174.94 174.73 2f52 s GLU 19 N -1.59 2.75 -0.29 2.79 2.12 0.14 -0.98 118.70 123.64 2f52 s GLU 19 Ca 0.18 -1.10 -0.21 0.00 0.36 0.00 0.00 54.97 54.20 2f52 s GLU 19 Cb -0.11 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 2f52 s GLU 19 CO 0.09 -0.64 0.65 0.08 -0.54 0.00 0.00 175.26 174.90 2f52 s VAL 20 N 1.45 4.93 -0.33 3.70 1.01 -1.26 -2.56 120.40 127.34 2f52 s VAL 20 Ca -0.00 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 2f52 s VAL 20 Cb -0.19 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2f52 s VAL 20 CO 0.04 -0.11 1.80 -1.61 0.00 0.00 0.00 175.10 175.22 2f52 s GLU 21 N 2.63 3.32 0.00 2.72 2.02 -1.26 -2.10 118.70 126.02 2f52 s GLU 21 Ca 0.26 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.67 2f52 s GLU 21 Cb -0.15 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 29.88 2f52 s GLU 21 CO 0.11 -1.87 0.00 0.41 0.02 0.00 0.00 175.26 173.93 2f52 n GLY 22 N 5.43 1.70 3.28 -1.39 0.00 -1.26 -5.08 105.19 107.87 2f52 n GLY 22 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 2f52 n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f52 s GLN 23 N 0.00 1.31 0.47 1.61 -0.21 -0.89 -5.15 119.66 116.80 2f52 s GLN 23 Ca 0.00 -1.69 -0.07 0.00 0.02 0.00 0.00 55.36 53.62 2f52 s GLN 23 Cb 0.00 -0.17 0.11 0.00 1.00 0.00 0.00 33.01 33.95 2f52 s GLN 23 CO 0.00 -0.28 0.25 -0.25 -2.12 0.00 0.00 175.29 172.89 2f52 n ASP 24 N -0.38 -2.33 -4.76 5.90 8.00 -1.26 -4.47 116.55 117.24 2f52 n ASP 24 Ca -0.01 -0.25 -0.39 0.00 0.71 0.00 0.00 54.79 54.85 2f52 n ASP 24 Cb 0.66 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 2f52 n ASP 24 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2f52 s ASP 25 N -2.07 7.37 -0.29 -2.24 1.01 -1.26 -4.11 116.67 115.09 2f52 s ASP 25 Ca 0.19 2.03 -0.05 0.00 0.71 0.00 0.00 52.55 55.43 2f52 s ASP 25 Cb -0.03 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.31 2f52 s ASP 25 CO 0.16 -0.05 0.03 -0.69 0.21 0.00 0.00 175.17 174.84 2f52 s VAL 26 N -1.32 3.54 -0.54 -1.27 1.01 -0.15 -4.76 120.40 116.92 2f52 s VAL 26 Ca 0.46 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 2f52 s VAL 26 Cb -0.26 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.30 2f52 s VAL 26 CO 0.32 0.07 1.00 0.12 0.00 0.00 0.00 175.10 176.62 2f52 s PHE 27 N 1.42 2.78 0.19 5.22 5.36 -1.25 -0.61 117.98 131.09 2f52 s PHE 27 Ca 0.01 0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 55.97 2f52 s PHE 27 Cb -0.17 -4.16 -0.08 0.00 -0.34 0.00 0.00 43.02 38.26 2f52 s PHE 27 CO 0.00 -1.35 0.69 0.54 -1.46 0.00 0.00 175.22 173.64 2f52 s VAL 28 N 4.15 4.60 0.24 3.12 0.11 -0.43 -2.63 120.40 129.55 2f52 s VAL 28 Ca 0.35 1.26 0.09 0.00 -2.93 0.00 0.00 61.98 60.76 2f52 s VAL 28 Cb -0.11 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2f52 s VAL 28 CO 0.22 0.27 -0.05 -2.28 -3.33 0.00 0.00 175.10 169.94 2f52 s HIS 29 N -1.44 2.65 0.17 1.54 2.46 -1.26 -1.99 115.29 117.43 2f52 s HIS 29 Ca 0.40 -0.23 -0.23 0.00 0.47 0.00 0.00 55.06 55.48 2f52 s HIS 29 Cb -0.17 -1.22 0.08 0.00 -0.13 0.00 0.00 32.58 31.14 2f52 s HIS 29 CO 0.21 0.59 1.58 0.27 -2.47 0.00 0.00 174.74 174.93 2f52 h PHE 30 N 2.27 -1.02 -0.98 3.88 -5.15 -1.79 0.55 116.94 114.70 2f52 h PHE 30 Ca -0.45 0.07 0.21 0.00 -0.20 0.00 0.00 57.97 57.61 2f52 h PHE 30 Cb 1.23 0.52 -0.09 0.00 0.22 0.00 0.00 35.95 37.83 2f52 h PHE 30 CO 0.68 -0.40 0.62 0.66 -2.00 0.00 0.00 178.31 177.88 2f52 h SER 31 N -0.21 0.59 -0.32 -0.68 4.64 -1.93 0.55 113.55 116.18 2f52 h SER 31 Ca 0.20 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.69 2f52 h SER 31 Cb 0.55 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2f52 h SER 31 CO -0.64 0.19 0.25 0.00 -0.87 0.00 0.00 176.83 175.76 2f52 h ALA 32 N 1.63 2.23 -2.97 5.18 0.00 -0.17 -3.41 119.26 121.75 2f52 h ALA 32 Ca 0.55 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.84 2f52 h ALA 32 Cb 1.14 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2f52 h ALA 32 CO -0.30 -0.41 -0.55 0.42 0.00 0.00 0.00 179.25 178.40 2f52 s ILE 33 N -4.94 4.85 0.05 0.00 1.09 0.19 0.13 121.20 122.58 2f52 s ILE 33 Ca -0.05 -0.70 0.09 0.00 -1.10 0.00 0.00 60.65 58.89 2f52 s ILE 33 Cb 0.18 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 38.17 2f52 s ILE 33 CO 0.67 0.07 -0.24 -1.58 -0.10 0.00 0.00 174.94 173.77 2f52 s GLN 34 N -2.62 1.59 0.00 2.79 0.74 -1.25 -4.92 119.66 115.99 2f52 s GLN 34 Ca 0.32 -1.06 0.00 0.00 0.05 0.00 0.00 55.36 54.66 2f52 s GLN 34 Cb -0.12 -1.77 0.00 0.00 1.10 0.00 0.00 33.01 32.22 2f52 s GLN 34 CO 0.25 0.45 0.00 0.41 -0.55 0.00 0.00 175.29 175.85 2f52 n GLY 35 N 1.72 4.14 3.05 2.59 0.00 -1.26 -4.89 105.19 110.54 2f52 n GLY 35 Ca -0.17 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2f52 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f52 s GLU 36 N -2.90 1.68 0.00 1.61 2.12 -1.26 -4.35 118.70 115.59 2f52 s GLU 36 Ca 0.00 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 53.50 2f52 s GLU 36 Cb 0.00 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2f52 s GLU 36 CO 0.00 -0.96 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 2f52 n GLY 37 N 4.36 1.42 1.41 -1.50 0.00 -1.26 -4.93 105.19 104.70 2f52 n GLY 37 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2f52 n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2f52 n PHE 38 N 0.00 0.01 0.24 1.61 -1.74 -1.26 -4.87 117.46 111.44 2f52 n PHE 38 Ca 0.00 -0.52 0.08 0.00 -0.56 0.00 0.00 57.45 56.45 2f52 n PHE 38 Cb 0.00 -0.01 0.60 0.00 1.52 0.00 0.00 39.48 41.59 2f52 n PHE 38 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 2f52 h LYS 39 N 0.81 0.00 -6.32 3.97 1.57 -1.90 -3.41 116.57 111.29 2f52 h LYS 39 Ca -0.30 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.93 2f52 h LYS 39 Cb 1.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.07 2f52 h LYS 39 CO 0.02 0.14 0.58 0.95 -0.57 0.00 0.00 179.45 180.57 2f52 s THR 40 N -4.56 4.57 0.63 -0.16 -4.23 -1.26 -4.77 115.64 105.86 2f52 s THR 40 Ca -0.04 1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 62.21 2f52 s THR 40 Cb 0.15 -4.19 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 2f52 s THR 40 CO 0.66 0.03 1.04 -0.76 -0.54 0.00 0.00 174.62 175.05 2f52 s LEU 41 N 1.85 3.26 0.08 4.79 1.02 -1.26 -5.06 118.68 123.35 2f52 s LEU 41 Ca 0.52 1.52 0.03 0.00 0.02 0.00 0.00 54.13 56.23 2f52 s LEU 41 Cb -0.22 -4.49 -0.04 0.00 0.02 0.00 0.00 46.19 41.47 2f52 s LEU 41 CO 0.22 -1.04 0.05 -0.70 0.02 0.00 0.00 176.35 174.90 2f52 s GLU 42 N -4.94 2.77 -0.04 1.70 2.12 -1.26 -4.78 118.70 114.27 2f52 s GLU 42 Ca 0.57 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 2f52 s GLU 42 Cb -0.12 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2f52 s GLU 42 CO 0.51 0.56 1.34 -2.00 -0.54 0.00 0.00 175.26 175.13 2f52 s GLU 43 N -2.29 4.29 0.00 4.30 2.12 -1.26 -2.25 118.70 123.61 2f52 s GLU 43 Ca 0.27 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.46 2f52 s GLU 43 Cb -0.12 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.65 2f52 s GLU 43 CO 0.20 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2f52 n GLY 44 N 3.59 0.58 3.70 -1.50 0.00 0.28 -4.97 105.19 106.87 2f52 n GLY 44 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2f52 n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f52 s GLN 45 N -0.81 4.47 0.39 1.61 0.74 -0.96 -4.66 119.66 120.44 2f52 s GLN 45 Ca 0.00 1.30 -0.25 0.00 0.05 0.00 0.00 55.36 56.46 2f52 s GLN 45 Cb 0.00 -3.50 -0.09 0.00 1.10 0.00 0.00 33.01 30.52 2f52 s GLN 45 CO 0.00 -0.16 1.07 0.00 -0.55 0.00 0.00 175.29 175.65 2f52 s ALA 46 N 1.47 3.12 0.09 1.58 0.00 -1.26 -1.70 121.76 125.06 2f52 s ALA 46 Ca 0.47 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 2f52 s ALA 46 Cb -0.19 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2f52 s ALA 46 CO 0.21 -0.25 0.17 0.14 0.00 0.00 0.00 175.76 176.03 2f52 s VAL 47 N -1.58 0.14 0.24 0.00 -7.23 0.19 -1.56 120.40 110.60 2f52 s VAL 47 Ca 0.56 -1.32 0.09 0.00 -1.81 0.00 0.00 61.98 59.51 2f52 s VAL 47 Cb -0.24 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2f52 s VAL 47 CO 0.30 -0.65 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.47 2f52 s SER 48 N -2.89 4.42 0.00 4.85 1.04 -0.49 -0.62 113.70 120.02 2f52 s SER 48 Ca 0.07 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2f52 s SER 48 Cb 0.05 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.38 2f52 s SER 48 CO -0.09 0.03 0.00 2.22 0.98 0.00 0.00 173.24 176.38 2f52 n PHE 49 N -0.62 0.00 -4.08 5.02 1.16 -0.41 -0.92 117.46 117.61 2f52 n PHE 49 Ca -0.07 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.27 2f52 n PHE 49 Cb 0.58 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.41 2f52 n PHE 49 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2f52 s GLU 50 N -2.00 2.99 -0.15 3.97 0.41 -0.30 -1.83 118.70 121.79 2f52 s GLU 50 Ca 0.00 -0.94 -0.14 0.00 -0.41 0.00 0.00 54.97 53.48 2f52 s GLU 50 Cb 0.00 -2.64 -0.05 0.00 -1.78 0.00 0.00 34.13 29.66 2f52 s GLU 50 CO 0.00 0.44 0.31 0.42 -0.49 0.00 0.00 175.26 175.94 2f52 s ILE 51 N -1.96 5.29 -0.20 -1.63 1.01 -1.26 -0.50 121.20 121.95 2f52 s ILE 51 Ca 0.32 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.54 2f52 s ILE 51 Cb -0.09 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2f52 s ILE 51 CO 0.25 0.39 -0.07 0.68 0.00 0.00 0.00 174.94 176.19 2f52 s VAL 52 N 0.40 3.26 -0.95 2.92 -7.23 -0.50 -4.88 120.40 113.42 2f52 s VAL 52 Ca 0.18 -0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 59.63 2f52 s VAL 52 Cb -0.13 -2.45 0.15 0.00 0.56 0.00 0.00 36.38 34.50 2f52 s VAL 52 CO 0.05 0.46 1.12 -1.61 -0.31 0.00 0.00 175.10 174.80 2f52 s GLU 53 N 1.18 3.66 0.39 4.82 2.02 -1.26 -0.19 118.70 129.31 2f52 s GLU 53 Ca 0.02 -1.94 0.01 0.00 0.02 0.00 0.00 54.97 53.07 2f52 s GLU 53 Cb -0.14 -4.88 0.08 0.00 0.10 0.00 0.00 34.13 29.29 2f52 s GLU 53 CO -0.02 -1.71 0.54 0.41 0.02 0.00 0.00 175.26 174.50 2f52 n GLY 54 N 5.15 0.86 0.35 -1.39 0.00 0.63 -4.89 105.19 105.91 2f52 n GLY 54 Ca 0.24 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2f52 n GLY 54 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2f52 h ASN 55 N -0.28 -0.99 -1.04 1.61 -1.24 -2.01 -1.27 115.58 110.36 2f52 h ASN 55 Ca -0.18 0.08 0.29 0.00 0.71 0.00 0.00 56.30 57.21 2f52 h ASN 55 Cb 0.68 0.33 -0.13 0.00 0.73 0.00 0.00 38.32 39.93 2f52 h ASN 55 CO 0.20 -0.46 0.62 0.03 -1.29 0.00 0.00 177.43 176.53 2f52 h ARG 56 N -0.69 0.40 0.00 6.67 3.08 -1.99 -3.47 114.38 118.38 2f52 h ARG 56 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2f52 h ARG 56 Cb 0.60 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2f52 h ARG 56 CO -0.06 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.51 2f52 n GLY 57 N -1.36 0.39 3.77 0.04 0.00 -0.48 -5.11 105.19 102.45 2f52 n GLY 57 Ca 0.29 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2f52 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f52 s PRO 58 N -2.00 4.24 0.20 1.61 0.04 -1.25 -0.27 135.00 137.57 2f52 s PRO 58 Ca 0.00 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2f52 s PRO 58 Cb 0.00 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2f52 s PRO 58 CO 0.00 -0.18 0.11 -0.65 0.04 0.00 0.00 177.00 176.32 2f52 s GLN 59 N -2.03 1.18 -0.03 4.56 -0.21 0.73 -3.78 119.66 120.08 2f52 s GLN 59 Ca 0.53 -1.62 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 2f52 s GLN 59 Cb -0.32 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.82 2f52 s GLN 59 CO 0.42 -0.35 0.55 0.00 -2.12 0.00 0.00 175.29 173.79 2f52 s ALA 60 N -4.08 3.50 0.16 6.09 0.00 -1.08 -1.41 121.76 124.94 2f52 s ALA 60 Ca 0.36 -0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.38 2f52 s ALA 60 Cb 0.07 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2f52 s ALA 60 CO 0.10 0.15 -0.23 0.00 0.00 0.00 0.00 175.76 175.78 2f52 s ALA 61 N -0.04 2.32 -0.72 0.00 0.00 0.35 -4.56 121.76 119.11 2f52 s ALA 61 Ca 0.29 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 2f52 s ALA 61 Cb -0.17 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2f52 s ALA 61 CO 0.15 0.41 0.62 0.09 0.00 0.00 0.00 175.76 177.03 2f52 n ASN 62 N 0.49 -5.13 -4.73 0.00 3.02 -1.22 -1.15 115.26 106.55 2f52 n ASN 62 Ca -0.15 -0.72 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 2f52 n ASN 62 Cb 0.55 -1.80 -0.06 0.00 -0.61 0.00 0.00 39.78 37.86 2f52 n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2f52 s VAL 63 N -2.59 5.21 -0.14 2.41 1.01 0.36 -3.66 120.40 123.01 2f52 s VAL 63 Ca 0.10 0.85 0.03 0.00 0.00 0.00 0.00 61.98 62.96 2f52 s VAL 63 Cb -0.01 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2f52 s VAL 63 CO 0.89 0.35 -0.22 -0.89 0.00 0.00 0.00 175.10 175.23 2f52 s THR 64 N 0.52 2.05 -0.35 3.92 2.01 -0.09 -3.79 115.64 119.91 2f52 s THR 64 Ca 0.23 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 2f52 s THR 64 Cb -0.15 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.55 2f52 s THR 64 CO 0.09 0.55 1.42 -0.54 -0.69 0.00 0.00 174.62 175.44 2f52 s LYS 65 N 0.80 3.69 0.52 4.92 1.02 -1.26 -1.39 119.74 128.03 2f52 s LYS 65 Ca -0.08 1.13 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 2f52 s LYS 65 Cb -0.16 -3.99 -0.00 0.00 -0.52 0.00 0.00 37.83 33.16 2f52 s LYS 65 CO -0.02 -1.42 0.80 -1.21 -0.92 0.00 0.00 175.35 172.59 2f52 s GLU 66 N 4.71 3.08 0.00 1.68 2.02 -0.60 -4.99 118.70 124.60 2f52 s GLU 66 Ca 0.62 -0.14 0.19 0.00 0.02 0.00 0.00 54.97 55.66 2f52 s GLU 66 Cb -0.16 -2.39 1.16 0.00 0.10 0.00 0.00 34.13 32.84 2f52 s GLU 66 CO 0.29 -0.46 1.55 0.00 0.02 0.00 0.00 175.26 176.66