#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 3.89 -0.05 4.03 1.43 -0.76 -4.94 118.68 122.29 2f52 s LEU 2 Ca 0.00 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2f52 s LEU 2 Cb 0.00 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2f52 s LEU 2 CO 0.00 -0.17 -0.04 -1.61 0.23 0.00 0.00 176.35 174.76 2f52 s GLU 3 N -3.95 0.85 0.19 1.70 2.02 -1.26 -1.35 118.70 116.89 2f52 s GLU 3 Ca 0.36 -0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.34 2f52 s GLU 3 Cb -0.08 -0.90 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 2f52 s GLU 3 CO 0.27 -0.12 -0.15 0.20 0.02 0.00 0.00 175.26 175.48 2f52 s GLY 4 N 1.09 1.39 -0.15 -1.39 0.00 -1.00 -4.30 107.32 102.95 2f52 s GLY 4 Ca -0.08 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 42.98 2f52 s GLY 4 CO -0.01 -1.68 0.06 0.54 0.00 0.00 0.00 173.10 172.01 2f52 s LYS 5 N -3.40 3.69 -0.21 2.90 1.02 0.09 -2.24 119.74 121.59 2f52 s LYS 5 Ca 0.20 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 2f52 s LYS 5 Cb -0.02 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2f52 s LYS 5 CO 0.06 0.45 1.80 0.08 -0.92 0.00 0.00 175.35 176.82 2f52 s VAL 6 N -0.12 3.45 0.04 3.17 1.01 -0.89 0.14 120.40 127.19 2f52 s VAL 6 Ca 0.07 0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 2f52 s VAL 6 Cb -0.12 -3.49 -0.33 0.00 0.00 0.00 0.00 36.38 32.44 2f52 s VAL 6 CO 0.01 -0.23 1.04 0.50 0.00 0.00 0.00 175.10 176.42 2f52 h LYS 7 N 11.89 0.58 -2.57 2.72 1.63 -0.66 1.99 116.57 132.14 2f52 h LYS 7 Ca -0.37 -0.90 -0.04 0.00 -0.85 0.00 0.00 60.65 58.49 2f52 h LYS 7 Cb 1.18 0.32 -0.16 0.00 -0.60 0.00 0.00 32.23 32.97 2f52 h LYS 7 CO 0.99 1.42 0.16 -0.46 -3.45 0.00 0.00 179.45 178.11 2f52 s TRP 8 N -2.76 -0.56 -0.20 1.91 -0.00 -1.07 -4.65 118.94 111.61 2f52 s TRP 8 Ca -0.09 0.66 -0.20 0.00 -0.00 0.00 0.00 56.10 56.47 2f52 s TRP 8 Cb 0.05 0.45 0.05 0.00 -0.00 0.00 0.00 33.47 34.02 2f52 s TRP 8 CO 0.94 -0.71 0.56 -0.59 -0.00 0.00 0.00 176.95 177.15 2f52 s PHE 9 N -2.48 -0.61 -0.05 5.86 -0.71 -1.26 0.25 117.98 118.99 2f52 s PHE 9 Ca -0.05 1.46 0.02 0.00 -1.04 0.00 0.00 56.93 57.32 2f52 s PHE 9 Cb -0.01 0.21 0.02 0.00 -1.21 0.00 0.00 43.02 42.04 2f52 s PHE 9 CO -0.02 -0.31 -0.07 1.21 -1.34 0.00 0.00 175.22 174.69 2f52 s ASN 10 N 0.21 1.19 0.44 1.98 2.47 -1.05 -4.89 114.94 115.28 2f52 s ASN 10 Ca -0.01 -0.18 0.26 0.00 0.42 0.00 0.00 52.86 53.35 2f52 s ASN 10 Cb -0.04 -0.54 0.69 0.00 -1.45 0.00 0.00 41.25 39.92 2f52 s ASN 10 CO 0.01 -0.01 1.73 0.77 -3.72 0.00 0.00 177.10 175.88 2f52 h SER 11 N 7.01 0.00 -0.30 -4.21 4.64 -1.94 -0.32 113.55 118.43 2f52 h SER 11 Ca -0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2f52 h SER 11 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2f52 h SER 11 CO 0.48 0.00 0.04 -0.33 -0.87 0.00 0.00 176.83 176.15 2f52 h GLU 12 N 0.00 0.50 -0.09 4.77 4.39 -1.94 -2.78 114.58 119.43 2f52 h GLU 12 Ca 0.00 -0.14 -0.23 0.00 0.34 0.00 0.00 59.36 59.34 2f52 h GLU 12 Cb 0.81 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2f52 h GLU 12 CO 0.00 0.61 -0.84 0.87 -1.16 0.00 0.00 179.01 178.49 2f52 h LYS 13 N 0.32 0.67 0.00 2.33 1.57 -1.96 -3.47 116.57 116.03 2f52 h LYS 13 Ca 0.09 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2f52 h LYS 13 Cb 0.35 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2f52 h LYS 13 CO 0.01 1.20 0.00 0.41 -0.57 0.00 0.00 179.45 180.50 2f52 n GLY 14 N 0.78 0.77 3.33 3.86 0.00 -0.14 -5.00 105.19 108.78 2f52 n GLY 14 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 0.91 0.23 1.61 -0.71 -1.19 -2.82 117.98 113.78 2f52 s PHE 15 Ca 0.00 -1.17 -0.00 0.00 -1.04 0.00 0.00 56.93 54.71 2f52 s PHE 15 Cb 0.00 -0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 2f52 s PHE 15 CO 0.00 -0.76 0.18 0.20 -1.34 0.00 0.00 175.22 173.51 2f52 s GLY 16 N -3.12 1.53 -0.05 1.99 0.00 -0.76 -2.54 107.32 104.37 2f52 s GLY 16 Ca 0.34 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.38 2f52 s GLY 16 CO 0.11 -1.36 -0.14 -1.36 0.00 0.00 0.00 173.10 170.36 2f52 s PHE 17 N -4.01 2.72 0.12 1.90 0.08 0.14 -0.70 117.98 118.23 2f52 s PHE 17 Ca 0.38 -0.18 0.09 0.00 0.12 0.00 0.00 56.93 57.34 2f52 s PHE 17 Cb 0.06 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 2f52 s PHE 17 CO 0.15 0.17 -0.22 0.42 -0.10 0.00 0.00 175.22 175.64 2f52 s ILE 18 N -0.67 1.84 -0.22 0.64 1.01 -0.51 0.08 121.20 123.37 2f52 s ILE 18 Ca 0.10 -1.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.07 2f52 s ILE 18 Cb -0.11 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2f52 s ILE 18 CO 0.01 -0.08 -0.07 -0.70 0.00 0.00 0.00 174.94 174.10 2f52 s GLU 19 N -2.09 3.26 -0.19 2.79 2.12 0.37 -1.45 118.70 123.51 2f52 s GLU 19 Ca 0.09 -0.69 -0.20 0.00 0.36 0.00 0.00 54.97 54.53 2f52 s GLU 19 Cb -0.09 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 2f52 s GLU 19 CO 0.05 -0.22 0.57 0.08 -0.54 0.00 0.00 175.26 175.20 2f52 s VAL 20 N 1.44 5.07 -0.39 3.70 1.01 -1.26 -0.73 120.40 129.24 2f52 s VAL 20 Ca 0.05 1.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 2f52 s VAL 20 Cb -0.14 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2f52 s VAL 20 CO -0.05 0.15 1.62 -1.61 0.00 0.00 0.00 175.10 175.21 2f52 s GLU 21 N 1.71 3.41 0.00 2.72 2.02 -1.26 -2.33 118.70 124.97 2f52 s GLU 21 Ca 0.26 1.14 0.00 0.00 0.02 0.00 0.00 54.97 56.40 2f52 s GLU 21 Cb -0.16 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.95 2f52 s GLU 21 CO 0.10 -1.77 0.00 0.41 0.02 0.00 0.00 175.26 174.02 2f52 n GLY 22 N 5.28 1.34 3.43 -1.39 0.00 -1.26 -5.07 105.19 107.53 2f52 n GLY 22 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.04 1.56 1.02 1.61 -0.21 -0.98 -5.13 119.66 117.49 2f52 s GLN 23 Ca 0.00 -1.73 -0.14 0.00 0.02 0.00 0.00 55.36 53.50 2f52 s GLN 23 Cb 0.00 -1.46 0.22 0.00 1.00 0.00 0.00 33.01 32.77 2f52 s GLN 23 CO 0.00 0.22 0.51 -0.25 -2.12 0.00 0.00 175.29 173.64 2f52 n ASP 24 N -0.56 -3.22 -4.77 5.90 8.00 -1.26 -4.34 116.55 116.30 2f52 n ASP 24 Ca -0.06 -0.51 -0.40 0.00 0.71 0.00 0.00 54.79 54.53 2f52 n ASP 24 Cb 0.61 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.28 6.93 -0.21 -2.24 1.01 -1.26 -4.04 116.67 114.58 2f52 s ASP 25 Ca 0.39 2.38 0.00 0.00 0.71 0.00 0.00 52.55 56.03 2f52 s ASP 25 Cb -0.07 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.26 2f52 s ASP 25 CO 0.33 -0.39 -0.14 -0.69 0.21 0.00 0.00 175.17 174.49 2f52 s VAL 26 N -1.25 2.41 0.61 -1.27 1.01 -0.53 -4.65 120.40 116.73 2f52 s VAL 26 Ca 0.49 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 2f52 s VAL 26 Cb -0.33 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2f52 s VAL 26 CO 0.42 0.38 1.04 0.72 0.00 0.00 0.00 175.10 177.66 2f52 s PHE 27 N 1.30 3.22 -0.02 5.22 -0.71 -1.22 -1.42 117.98 124.35 2f52 s PHE 27 Ca 0.02 1.44 0.02 0.00 -1.04 0.00 0.00 56.93 57.38 2f52 s PHE 27 Cb -0.15 -2.88 -0.00 0.00 -1.21 0.00 0.00 43.02 38.78 2f52 s PHE 27 CO -0.09 -0.93 -0.08 0.08 -1.34 0.00 0.00 175.22 172.85 2f52 s VAL 28 N -2.79 0.71 0.15 -2.49 1.01 0.13 0.95 120.40 118.07 2f52 s VAL 28 Ca 0.59 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2f52 s VAL 28 Cb -0.13 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2f52 s VAL 28 CO 0.44 0.22 -0.13 -2.28 0.00 0.00 0.00 175.10 173.35 2f52 s HIS 29 N 0.06 2.61 0.20 5.22 2.46 -1.26 -1.83 115.29 122.74 2f52 s HIS 29 Ca -0.01 -0.23 -0.19 0.00 0.47 0.00 0.00 55.06 55.11 2f52 s HIS 29 Cb -0.06 -1.32 0.18 0.00 -0.13 0.00 0.00 32.58 31.24 2f52 s HIS 29 CO 0.00 0.46 1.58 0.27 -2.47 0.00 0.00 174.74 174.58 2f52 h PHE 30 N 3.27 -0.89 -0.42 3.88 -5.15 -1.87 1.20 116.94 116.95 2f52 h PHE 30 Ca -0.48 0.08 0.12 0.00 -0.20 0.00 0.00 57.97 57.49 2f52 h PHE 30 Cb 1.19 0.50 -0.02 0.00 0.22 0.00 0.00 35.95 37.84 2f52 h PHE 30 CO 0.63 -0.38 0.38 1.03 -2.00 0.00 0.00 178.31 177.97 2f52 h SER 31 N -0.10 0.00 0.44 -0.68 0.87 -1.95 0.66 113.55 112.78 2f52 h SER 31 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2f52 h SER 31 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2f52 h SER 31 CO -0.77 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.53 2f52 n ALA 32 N -2.46 1.47 -3.54 6.23 0.00 0.41 -4.48 120.51 118.13 2f52 n ALA 32 Ca 0.07 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2f52 n ALA 32 Cb 0.56 -1.28 -0.17 0.00 0.00 0.00 0.00 19.45 18.57 2f52 n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2f52 s ILE 33 N -3.22 1.77 -0.01 0.00 1.09 0.23 0.27 121.20 121.33 2f52 s ILE 33 Ca 0.03 -0.82 -0.22 0.00 -1.10 0.00 0.00 60.65 58.54 2f52 s ILE 33 Cb 0.08 -1.58 -0.05 0.00 -1.06 0.00 0.00 42.46 39.85 2f52 s ILE 33 CO 0.27 0.49 0.65 -1.58 -0.10 0.00 0.00 174.94 174.67 2f52 s GLN 34 N 0.75 4.39 0.00 2.79 0.74 -1.25 -4.76 119.66 122.32 2f52 s GLN 34 Ca -0.10 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.14 2f52 s GLN 34 Cb -0.16 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.57 2f52 s GLN 34 CO 0.01 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 2f52 n GLY 35 N 2.63 1.83 0.37 2.59 0.00 -1.26 -4.75 105.19 106.60 2f52 n GLY 35 Ca -0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2f52 n GLY 35 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2f52 h GLU 36 N 0.00 -0.86 0.00 1.61 4.81 -2.01 -3.40 114.58 114.73 2f52 h GLU 36 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2f52 h GLU 36 Cb 0.00 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2f52 h GLU 36 CO 0.00 -0.54 -0.13 0.41 -0.73 0.00 0.00 179.01 178.02 2f52 n GLY 37 N -0.71 -0.78 0.57 1.92 0.00 -1.26 -4.76 105.19 100.17 2f52 n GLY 37 Ca -0.12 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.16 0.55 -0.30 1.61 1.16 -1.26 -4.67 117.46 114.39 2f52 n PHE 38 Ca 0.01 -0.81 0.03 0.00 -1.87 0.00 0.00 57.45 54.81 2f52 n PHE 38 Cb 0.53 -0.20 0.17 0.00 -1.61 0.00 0.00 39.48 38.36 2f52 n PHE 38 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 2f52 h LYS 39 N 1.24 0.81 -6.50 3.97 1.57 -1.85 -3.41 116.57 112.40 2f52 h LYS 39 Ca 0.00 -0.05 -0.57 0.00 -1.87 0.00 0.00 60.65 58.16 2f52 h LYS 39 Cb 1.13 -0.18 0.05 0.00 0.08 0.00 0.00 32.23 33.31 2f52 h LYS 39 CO 0.11 0.53 0.88 2.41 -0.57 0.00 0.00 179.45 182.82 2f52 n THR 40 N -4.72 0.09 -2.36 -0.16 -1.04 -1.26 -4.78 114.28 100.06 2f52 n THR 40 Ca 0.14 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.05 61.89 2f52 n THR 40 Cb 0.26 -1.68 0.07 0.00 -1.82 0.00 0.00 70.33 67.17 2f52 n THR 40 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2f52 s LEU 41 N 1.44 2.96 0.18 -4.42 1.02 -1.26 -5.09 118.68 113.50 2f52 s LEU 41 Ca 0.80 0.18 0.07 0.00 0.02 0.00 0.00 54.13 55.20 2f52 s LEU 41 Cb -0.64 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 42.73 2f52 s LEU 41 CO 0.39 -1.60 0.04 -1.61 0.02 0.00 0.00 176.35 173.59 2f52 s GLU 42 N -5.15 2.56 0.05 1.70 2.02 -1.26 -4.83 118.70 113.80 2f52 s GLU 42 Ca 0.61 -1.05 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 2f52 s GLU 42 Cb -0.09 -2.44 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 2f52 s GLU 42 CO 0.44 0.46 1.37 -2.00 0.02 0.00 0.00 175.26 175.55 2f52 s GLU 43 N -3.04 4.31 0.00 1.61 2.12 -1.26 -2.09 118.70 120.36 2f52 s GLU 43 Ca 0.29 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.61 2f52 s GLU 43 Cb -0.09 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.88 2f52 s GLU 43 CO 0.20 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 2f52 n GLY 44 N 3.54 1.08 3.71 -1.50 0.00 0.67 -4.92 105.19 107.77 2f52 n GLY 44 Ca 0.12 0.00 -0.41 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 -0.43 4.53 0.29 1.61 0.74 -0.89 -4.60 119.66 120.92 2f52 s GLN 45 Ca 0.00 1.28 -0.28 0.00 0.05 0.00 0.00 55.36 56.41 2f52 s GLN 45 Cb 0.00 -3.45 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 2f52 s GLN 45 CO 0.00 -0.01 0.99 0.00 -0.55 0.00 0.00 175.29 175.72 2f52 s ALA 46 N 0.90 3.29 0.03 1.58 0.00 -1.26 -2.10 121.76 124.20 2f52 s ALA 46 Ca 0.48 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 2f52 s ALA 46 Cb -0.20 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2f52 s ALA 46 CO 0.26 0.07 0.02 0.14 0.00 0.00 0.00 175.76 176.25 2f52 s VAL 47 N -1.35 0.13 0.08 0.00 -7.23 -0.95 -0.78 120.40 110.31 2f52 s VAL 47 Ca 0.46 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 2f52 s VAL 47 Cb -0.25 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 2f52 s VAL 47 CO 0.31 -0.61 0.29 -0.55 -0.31 0.00 0.00 175.10 174.23 2f52 s SER 48 N -1.91 6.45 0.00 4.85 0.15 0.39 -2.38 113.70 121.24 2f52 s SER 48 Ca -0.09 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2f52 s SER 48 Cb -0.04 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2f52 s SER 48 CO -0.03 0.14 0.00 2.22 1.20 0.00 0.00 173.24 176.77 2f52 n PHE 49 N 0.41 0.00 -3.93 3.44 1.16 -0.46 -0.08 117.46 118.00 2f52 n PHE 49 Ca -0.05 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.32 2f52 n PHE 49 Cb 0.52 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.37 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 3.42 -0.22 3.97 0.41 -0.39 -1.82 118.70 122.07 2f52 s GLU 50 Ca 0.00 -0.77 -0.11 0.00 -0.41 0.00 0.00 54.97 53.68 2f52 s GLU 50 Cb 0.00 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.42 2f52 s GLU 50 CO 0.00 0.40 0.16 0.42 -0.49 0.00 0.00 175.26 175.75 2f52 s ILE 51 N -2.00 5.37 -0.17 -1.63 1.01 -1.26 -0.59 121.20 121.94 2f52 s ILE 51 Ca 0.35 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 2f52 s ILE 51 Cb -0.09 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2f52 s ILE 51 CO 0.29 0.38 -0.11 0.68 0.00 0.00 0.00 174.94 176.19 2f52 s VAL 52 N 0.74 3.00 -0.80 2.92 -7.23 -0.26 -4.88 120.40 113.90 2f52 s VAL 52 Ca 0.09 -0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 2f52 s VAL 52 Cb -0.12 -2.30 0.14 0.00 0.56 0.00 0.00 36.38 34.66 2f52 s VAL 52 CO 0.02 0.49 0.91 -1.61 -0.31 0.00 0.00 175.10 174.60 2f52 s GLU 53 N 0.91 3.42 0.40 4.82 2.02 -1.26 0.55 118.70 129.56 2f52 s GLU 53 Ca -0.03 -1.77 0.02 0.00 0.02 0.00 0.00 54.97 53.21 2f52 s GLU 53 Cb -0.15 -4.57 0.08 0.00 0.10 0.00 0.00 34.13 29.58 2f52 s GLU 53 CO -0.00 -1.59 0.56 0.41 0.02 0.00 0.00 175.26 174.66 2f52 n GLY 54 N 5.03 1.15 0.47 -1.39 0.00 0.10 -4.89 105.19 105.66 2f52 n GLY 54 Ca 0.11 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.21 -1.41 -0.98 1.61 -1.24 -2.02 -0.84 115.58 110.49 2f52 h ASN 55 Ca -0.19 0.14 0.22 0.00 0.71 0.00 0.00 56.30 57.18 2f52 h ASN 55 Cb 0.74 0.50 -0.12 0.00 0.73 0.00 0.00 38.32 40.17 2f52 h ASN 55 CO 0.22 -0.58 0.57 0.03 -1.29 0.00 0.00 177.43 176.37 2f52 h ARG 56 N -0.83 0.59 0.00 6.67 3.08 -2.00 -3.47 114.38 118.42 2f52 h ARG 56 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2f52 h ARG 56 Cb 0.79 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2f52 h ARG 56 CO -0.18 0.39 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 2f52 n GLY 57 N -1.32 0.28 3.76 0.04 0.00 -0.32 -5.11 105.19 102.53 2f52 n GLY 57 Ca 0.25 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 4.49 0.21 1.61 0.04 -1.25 0.02 135.00 138.12 2f52 s PRO 58 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.07 2f52 s PRO 58 Cb 0.00 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2f52 s PRO 58 CO 0.00 0.00 0.07 -0.65 0.04 0.00 0.00 177.00 176.46 2f52 s GLN 59 N -1.62 1.23 -0.04 4.56 -0.21 0.19 -3.38 119.66 120.39 2f52 s GLN 59 Ca 0.47 -1.63 -0.13 0.00 0.02 0.00 0.00 55.36 54.09 2f52 s GLN 59 Cb -0.36 -0.10 -0.05 0.00 1.00 0.00 0.00 33.01 33.50 2f52 s GLN 59 CO 0.47 -0.26 0.33 0.00 -2.12 0.00 0.00 175.29 173.71 2f52 s ALA 60 N -3.84 3.74 0.18 6.09 0.00 0.27 -1.10 121.76 127.10 2f52 s ALA 60 Ca 0.32 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.03 2f52 s ALA 60 Cb 0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2f52 s ALA 60 CO 0.09 0.49 -0.19 0.00 0.00 0.00 0.00 175.76 176.16 2f52 s ALA 61 N -0.96 2.12 -0.72 0.00 0.00 0.24 -4.68 121.76 117.76 2f52 s ALA 61 Ca 0.21 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 2f52 s ALA 61 Cb -0.15 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2f52 s ALA 61 CO 0.10 0.24 0.62 0.09 0.00 0.00 0.00 175.76 176.82 2f52 n ASN 62 N 0.14 -5.27 -4.68 0.00 3.02 -1.23 -1.26 115.26 105.97 2f52 n ASN 62 Ca -0.12 -0.68 -0.40 0.00 -0.03 0.00 0.00 54.58 53.35 2f52 n ASN 62 Cb 0.58 -2.00 -0.05 0.00 -0.61 0.00 0.00 39.78 37.69 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 -2.63 4.99 -0.14 2.41 1.01 0.77 -3.37 120.40 123.44 2f52 s VAL 63 Ca 0.10 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.51 2f52 s VAL 63 Cb -0.01 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2f52 s VAL 63 CO 0.88 0.14 -0.20 -0.89 0.00 0.00 0.00 175.10 175.02 2f52 s THR 64 N 1.57 2.23 -0.40 3.92 2.01 0.88 -3.95 115.64 121.90 2f52 s THR 64 Ca 0.35 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 2f52 s THR 64 Cb -0.17 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2f52 s THR 64 CO 0.14 0.54 1.87 -0.54 -0.69 0.00 0.00 174.62 175.94 2f52 s LYS 65 N 0.78 3.08 0.52 4.92 1.02 -1.26 -0.46 119.74 128.34 2f52 s LYS 65 Ca -0.07 1.27 -0.05 0.00 0.02 0.00 0.00 55.97 57.13 2f52 s LYS 65 Cb -0.16 -4.27 -0.02 0.00 -0.52 0.00 0.00 37.83 32.86 2f52 s LYS 65 CO -0.01 -2.16 0.83 -1.21 -0.92 0.00 0.00 175.35 171.88 2f52 s GLU 66 N 6.17 3.29 0.00 1.68 2.02 0.04 -4.95 118.70 126.96 2f52 s GLU 66 Ca 0.79 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2f52 s GLU 66 Cb -0.20 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2f52 s GLU 66 CO 0.30 -0.40 0.00 0.00 0.02 0.00 0.00 175.26 175.18