#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 3.78 -0.01 4.03 1.02 -0.70 -4.90 118.68 121.90 2f52 s LEU 2 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.83 2f52 s LEU 2 Cb 0.00 -2.54 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 2f52 s LEU 2 CO 0.00 -0.48 -0.09 -1.61 0.02 0.00 0.00 176.35 174.19 2f52 s GLU 3 N -4.15 0.77 0.05 1.70 2.02 -1.26 0.07 118.70 117.89 2f52 s GLU 3 Ca 0.46 -0.33 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 2f52 s GLU 3 Cb -0.08 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.38 2f52 s GLU 3 CO 0.30 0.19 -0.03 0.20 0.02 0.00 0.00 175.26 175.93 2f52 s GLY 4 N -0.17 0.44 -0.06 -1.39 0.00 -0.04 -4.48 107.32 101.62 2f52 s GLY 4 Ca 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 2f52 s GLY 4 CO -0.00 -1.16 0.11 0.54 0.00 0.00 0.00 173.10 172.58 2f52 s LYS 5 N -3.28 3.24 -0.38 2.90 1.02 -0.15 -1.39 119.74 121.70 2f52 s LYS 5 Ca 0.01 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 2f52 s LYS 5 Cb 0.03 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 2f52 s LYS 5 CO -0.07 0.70 1.30 0.08 -0.92 0.00 0.00 175.35 176.44 2f52 s VAL 6 N -1.12 4.08 0.05 3.17 1.01 -0.81 0.14 120.40 126.93 2f52 s VAL 6 Ca 0.20 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 2f52 s VAL 6 Cb -0.12 -4.28 -0.32 0.00 0.00 0.00 0.00 36.38 31.65 2f52 s VAL 6 CO 0.10 -0.70 1.07 0.07 0.00 0.00 0.00 175.10 175.63 2f52 h LYS 7 N 9.77 0.43 -2.52 2.72 2.10 -1.05 1.89 116.57 129.91 2f52 h LYS 7 Ca -0.26 -0.72 -0.04 0.00 -2.00 0.00 0.00 60.65 57.63 2f52 h LYS 7 Cb 1.09 0.27 -0.16 0.00 -0.90 0.00 0.00 32.23 32.53 2f52 h LYS 7 CO 1.07 1.34 0.19 -0.46 -2.00 0.00 0.00 179.45 179.60 2f52 s TRP 8 N -2.63 -0.59 -0.22 0.07 -0.00 -1.06 -4.65 118.94 109.86 2f52 s TRP 8 Ca -0.07 0.71 -0.19 0.00 -0.00 0.00 0.00 56.10 56.55 2f52 s TRP 8 Cb 0.05 0.48 0.06 0.00 -0.00 0.00 0.00 33.47 34.06 2f52 s TRP 8 CO 0.92 -0.72 0.57 -0.59 -0.00 0.00 0.00 176.95 177.12 2f52 s PHE 9 N -2.47 -0.65 -0.03 5.86 -0.71 -1.26 0.25 117.98 118.95 2f52 s PHE 9 Ca -0.05 1.55 0.02 0.00 -1.04 0.00 0.00 56.93 57.41 2f52 s PHE 9 Cb -0.01 0.24 0.01 0.00 -1.21 0.00 0.00 43.02 42.06 2f52 s PHE 9 CO -0.02 -0.32 -0.08 1.21 -1.34 0.00 0.00 175.22 174.68 2f52 s ASN 10 N 0.44 1.16 0.37 1.98 2.47 -1.04 -4.89 114.94 115.43 2f52 s ASN 10 Ca -0.01 -0.18 0.24 0.00 0.42 0.00 0.00 52.86 53.33 2f52 s ASN 10 Cb -0.04 -0.41 0.47 0.00 -1.45 0.00 0.00 41.25 39.82 2f52 s ASN 10 CO -0.01 0.03 1.65 0.77 -3.72 0.00 0.00 177.10 175.82 2f52 h SER 11 N 6.66 0.00 -0.14 -4.21 4.64 -1.94 -1.29 113.55 117.28 2f52 h SER 11 Ca -0.34 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2f52 h SER 11 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2f52 h SER 11 CO 0.48 0.00 0.03 -0.08 -0.87 0.00 0.00 176.83 176.39 2f52 h GLU 12 N 0.00 0.23 -0.31 4.77 4.81 -1.94 -2.77 114.58 119.37 2f52 h GLU 12 Ca 0.00 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 2f52 h GLU 12 Cb 0.93 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 2f52 h GLU 12 CO 0.00 0.40 -0.50 0.87 -0.73 0.00 0.00 179.01 179.05 2f52 h LYS 13 N 0.03 0.89 0.00 1.92 1.57 -1.98 -3.47 116.57 115.53 2f52 h LYS 13 Ca 0.04 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2f52 h LYS 13 Cb 0.27 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2f52 h LYS 13 CO 0.00 1.18 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 2f52 n GLY 14 N 0.31 0.67 3.27 3.86 0.00 -0.49 -5.02 105.19 107.80 2f52 n GLY 14 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.21 1.55 0.21 1.61 -0.71 -1.19 -2.80 117.98 114.44 2f52 s PHE 15 Ca 0.00 -1.52 -0.01 0.00 -1.04 0.00 0.00 56.93 54.36 2f52 s PHE 15 Cb 0.00 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 41.06 2f52 s PHE 15 CO 0.00 -0.73 0.15 0.20 -1.34 0.00 0.00 175.22 173.50 2f52 s GLY 16 N -3.32 1.43 -0.11 1.99 0.00 -0.57 -2.51 107.32 104.23 2f52 s GLY 16 Ca 0.39 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2f52 s GLY 16 CO 0.21 -1.37 -0.14 -1.36 0.00 0.00 0.00 173.10 170.43 2f52 s PHE 17 N -4.13 2.77 0.12 1.90 0.08 0.14 -0.57 117.98 118.28 2f52 s PHE 17 Ca 0.38 -0.61 0.11 0.00 0.12 0.00 0.00 56.93 56.93 2f52 s PHE 17 Cb 0.07 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2f52 s PHE 17 CO 0.12 -0.17 -0.27 0.42 -0.10 0.00 0.00 175.22 175.23 2f52 s ILE 18 N 0.19 2.22 -0.21 0.64 1.01 -0.43 -0.40 121.20 124.21 2f52 s ILE 18 Ca -0.08 -1.70 -0.05 0.00 0.00 0.00 0.00 60.65 58.81 2f52 s ILE 18 Cb -0.15 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2f52 s ILE 18 CO 0.05 0.12 0.00 -0.70 0.00 0.00 0.00 174.94 174.41 2f52 s GLU 19 N -1.95 3.59 -0.27 2.79 2.56 0.37 -1.25 118.70 124.55 2f52 s GLU 19 Ca 0.13 -0.53 -0.10 0.00 0.00 0.00 0.00 54.97 54.48 2f52 s GLU 19 Cb -0.10 -3.09 -0.04 0.00 2.00 0.00 0.00 34.13 32.90 2f52 s GLU 19 CO 0.05 -0.03 0.15 0.08 -0.56 0.00 0.00 175.26 174.95 2f52 s VAL 20 N 1.10 4.97 -0.33 3.70 1.01 -1.26 -0.97 120.40 128.62 2f52 s VAL 20 Ca 0.02 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2f52 s VAL 20 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2f52 s VAL 20 CO 0.01 0.28 1.86 -1.61 0.00 0.00 0.00 175.10 175.65 2f52 s GLU 21 N 1.68 3.27 0.00 2.72 2.02 -1.26 -2.33 118.70 124.79 2f52 s GLU 21 Ca 0.07 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.53 2f52 s GLU 21 Cb -0.16 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 29.84 2f52 s GLU 21 CO 0.08 -1.93 0.00 0.41 0.02 0.00 0.00 175.26 173.84 2f52 n GLY 22 N 5.48 1.00 3.33 -1.39 0.00 -1.26 -5.09 105.19 107.27 2f52 n GLY 22 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 1.36 0.00 1.61 -0.21 -0.99 -5.14 119.66 116.29 2f52 s GLN 23 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.69 2f52 s GLN 23 Cb 0.00 -0.58 0.00 0.00 1.00 0.00 0.00 33.01 33.43 2f52 s GLN 23 CO 0.00 -0.12 0.00 -0.40 -2.12 0.00 0.00 175.29 172.65 2f52 n ASP 24 N -0.43 -1.17 -4.76 5.90 5.68 -1.26 -4.46 116.55 116.04 2f52 n ASP 24 Ca -0.04 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.85 2f52 n ASP 24 Cb 0.64 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.58 2f52 n ASP 24 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2f52 s ASP 25 N -1.70 7.18 -0.22 -1.12 1.01 -1.26 -4.14 116.67 116.42 2f52 s ASP 25 Ca 0.00 2.16 -0.04 0.00 0.71 0.00 0.00 52.55 55.38 2f52 s ASP 25 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 2f52 s ASP 25 CO 0.00 -0.19 -0.04 -0.69 0.21 0.00 0.00 175.17 174.45 2f52 s VAL 26 N -1.30 3.34 0.53 -1.27 1.01 -0.38 -4.80 120.40 117.52 2f52 s VAL 26 Ca 0.48 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2f52 s VAL 26 Cb -0.28 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 2f52 s VAL 26 CO 0.36 0.41 0.99 0.12 0.00 0.00 0.00 175.10 176.98 2f52 s PHE 27 N 1.47 3.42 -0.05 5.22 5.36 -1.24 -1.32 117.98 130.84 2f52 s PHE 27 Ca 0.06 1.46 0.03 0.00 -0.96 0.00 0.00 56.93 57.52 2f52 s PHE 27 Cb -0.14 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.74 2f52 s PHE 27 CO -0.03 -0.44 -0.12 0.08 -1.46 0.00 0.00 175.22 173.25 2f52 s VAL 28 N -2.64 1.05 0.08 3.12 1.01 0.26 0.17 120.40 123.46 2f52 s VAL 28 Ca 0.59 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2f52 s VAL 28 Cb -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2f52 s VAL 28 CO 0.33 0.32 0.08 -2.28 0.00 0.00 0.00 175.10 173.55 2f52 s HIS 29 N 0.39 3.18 0.22 5.22 2.46 -1.26 -1.51 115.29 123.99 2f52 s HIS 29 Ca -0.08 0.07 -0.16 0.00 0.47 0.00 0.00 55.06 55.36 2f52 s HIS 29 Cb -0.12 -1.61 0.25 0.00 -0.13 0.00 0.00 32.58 30.96 2f52 s HIS 29 CO 0.02 0.52 1.58 0.27 -2.47 0.00 0.00 174.74 174.66 2f52 h PHE 30 N 3.27 -0.79 -0.11 3.88 -5.15 -1.87 2.16 116.94 118.32 2f52 h PHE 30 Ca -0.47 0.08 0.03 0.00 -0.20 0.00 0.00 57.97 57.42 2f52 h PHE 30 Cb 1.16 0.47 -0.00 0.00 0.22 0.00 0.00 35.95 37.80 2f52 h PHE 30 CO 0.61 -0.38 0.21 1.03 -2.00 0.00 0.00 178.31 177.78 2f52 h SER 31 N -0.05 0.00 0.44 -0.68 0.87 -1.94 0.19 113.55 112.37 2f52 h SER 31 Ca 0.33 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 2f52 h SER 31 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2f52 h SER 31 CO -0.84 0.00 -0.10 0.00 -0.53 0.00 0.00 176.83 175.36 2f52 h ALA 32 N 1.68 1.21 -3.39 6.23 0.00 0.33 -3.41 119.26 121.91 2f52 h ALA 32 Ca 0.05 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 2f52 h ALA 32 Cb 0.48 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.07 2f52 h ALA 32 CO -0.00 0.13 -0.65 0.42 0.00 0.00 0.00 179.25 179.15 2f52 s ILE 33 N -4.10 4.06 -0.27 0.00 1.09 0.66 0.14 121.20 122.78 2f52 s ILE 33 Ca -0.02 -0.32 -0.15 0.00 -1.10 0.00 0.00 60.65 59.05 2f52 s ILE 33 Cb 0.12 -2.73 -0.04 0.00 -1.06 0.00 0.00 42.46 38.76 2f52 s ILE 33 CO 0.57 0.55 0.37 -1.58 -0.10 0.00 0.00 174.94 174.75 2f52 s GLN 34 N -0.34 4.00 -0.26 2.79 0.74 -1.25 -4.78 119.66 120.56 2f52 s GLN 34 Ca 0.06 0.02 -0.28 0.00 0.05 0.00 0.00 55.36 55.21 2f52 s GLN 34 Cb -0.12 -3.66 0.17 0.00 1.10 0.00 0.00 33.01 30.50 2f52 s GLN 34 CO 0.02 -0.29 1.28 0.20 -0.55 0.00 0.00 175.29 175.95 2f52 s GLY 35 N 1.64 0.04 0.02 2.59 0.00 -1.26 -4.83 107.32 105.53 2f52 s GLY 35 Ca 0.15 2.76 -0.27 0.00 0.00 0.00 0.00 44.72 47.36 2f52 s GLY 35 CO 0.10 1.27 1.30 0.83 0.00 0.00 0.00 173.10 176.59 2f52 h GLU 36 N 2.46 -0.62 0.00 2.90 5.08 -2.01 -3.39 114.58 119.00 2f52 h GLU 36 Ca -0.14 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2f52 h GLU 36 Cb 1.18 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2f52 h GLU 36 CO 0.23 -0.32 -0.08 0.41 -1.00 0.00 0.00 179.01 178.25 2f52 n GLY 37 N -0.67 -0.51 0.60 -3.84 0.00 -1.26 -4.76 105.19 94.74 2f52 n GLY 37 Ca -0.11 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.21 0.35 -0.26 1.61 -1.74 -1.26 -4.72 117.46 111.23 2f52 n PHE 38 Ca 0.01 -1.29 -0.05 0.00 -0.56 0.00 0.00 57.45 55.55 2f52 n PHE 38 Cb 0.48 -0.28 0.05 0.00 1.52 0.00 0.00 39.48 41.26 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 0.80 0.97 -6.84 3.97 1.57 -1.86 -3.42 116.57 111.75 2f52 h LYS 39 Ca 0.05 -0.09 -0.55 0.00 -1.87 0.00 0.00 60.65 58.19 2f52 h LYS 39 Cb 1.20 -0.20 0.10 0.00 0.08 0.00 0.00 32.23 33.41 2f52 h LYS 39 CO 0.11 0.69 0.75 2.41 -0.57 0.00 0.00 179.45 182.84 2f52 n THR 40 N -4.53 1.64 -2.67 -0.16 -1.04 -1.26 -4.65 114.28 101.60 2f52 n THR 40 Ca 0.06 -0.41 -0.22 0.00 -2.04 0.00 0.00 64.05 61.44 2f52 n THR 40 Cb 0.06 -1.87 0.08 0.00 -1.82 0.00 0.00 70.33 66.78 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 -1.26 3.10 0.12 -4.42 1.02 -1.26 -5.11 118.68 110.88 2f52 s LEU 41 Ca 0.58 -0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.47 2f52 s LEU 41 Cb -0.51 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 2f52 s LEU 41 CO 0.58 -1.55 -0.06 -1.61 0.02 0.00 0.00 176.35 173.74 2f52 s GLU 42 N -4.94 2.27 0.04 1.70 2.02 -1.26 -4.85 118.70 113.69 2f52 s GLU 42 Ca 0.63 -1.03 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 2f52 s GLU 42 Cb -0.07 -2.35 -0.07 0.00 0.10 0.00 0.00 34.13 31.74 2f52 s GLU 42 CO 0.41 0.50 1.45 -2.00 0.02 0.00 0.00 175.26 175.64 2f52 s GLU 43 N -2.46 4.28 0.00 1.61 2.12 -1.26 -1.93 118.70 121.06 2f52 s GLU 43 Ca 0.24 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.63 2f52 s GLU 43 Cb -0.11 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2f52 s GLU 43 CO 0.16 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 2f52 n GLY 44 N 3.67 0.99 3.72 -1.50 0.00 0.64 -4.95 105.19 107.77 2f52 n GLY 44 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.50 4.54 0.32 1.61 0.74 -0.81 -4.65 119.66 120.91 2f52 s GLN 45 Ca 0.00 1.25 -0.27 0.00 0.05 0.00 0.00 55.36 56.39 2f52 s GLN 45 Cb 0.00 -3.44 -0.09 0.00 1.10 0.00 0.00 33.01 30.58 2f52 s GLN 45 CO 0.00 0.05 1.02 0.00 -0.55 0.00 0.00 175.29 175.81 2f52 s ALA 46 N 0.72 3.26 0.07 1.58 0.00 -1.26 -1.92 121.76 124.21 2f52 s ALA 46 Ca 0.46 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 2f52 s ALA 46 Cb -0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2f52 s ALA 46 CO 0.25 -0.04 0.14 0.14 0.00 0.00 0.00 175.76 176.26 2f52 s VAL 47 N -1.41 0.16 0.17 0.00 -7.23 -0.49 -0.10 120.40 111.50 2f52 s VAL 47 Ca 0.49 -1.28 0.07 0.00 -1.81 0.00 0.00 61.98 59.45 2f52 s VAL 47 Cb -0.25 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2f52 s VAL 47 CO 0.32 -0.71 -0.01 -0.55 -0.31 0.00 0.00 175.10 173.84 2f52 s SER 48 N -2.78 4.75 0.00 4.85 0.15 -0.10 -0.86 113.70 119.72 2f52 s SER 48 Ca 0.04 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2f52 s SER 48 Cb 0.05 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 2f52 s SER 48 CO -0.10 0.10 0.00 2.22 1.20 0.00 0.00 173.24 176.66 2f52 n PHE 49 N -0.07 0.00 -3.92 3.44 1.16 0.11 -0.29 117.46 117.90 2f52 n PHE 49 Ca -0.10 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.26 2f52 n PHE 49 Cb 0.55 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.40 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 3.45 -0.18 3.97 2.02 -0.05 -1.71 118.70 124.19 2f52 s GLU 50 Ca 0.00 -0.69 -0.08 0.00 0.02 0.00 0.00 54.97 54.22 2f52 s GLU 50 Cb 0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2f52 s GLU 50 CO 0.00 0.43 0.09 0.42 0.02 0.00 0.00 175.26 176.22 2f52 s ILE 51 N -1.94 5.07 -0.18 -1.63 1.01 -1.26 0.10 121.20 122.36 2f52 s ILE 51 Ca 0.35 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 2f52 s ILE 51 Cb -0.10 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2f52 s ILE 51 CO 0.29 0.48 -0.10 0.68 0.00 0.00 0.00 174.94 176.29 2f52 s VAL 52 N 0.12 3.01 -0.90 2.92 -7.23 -0.21 -4.85 120.40 113.27 2f52 s VAL 52 Ca 0.07 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 2f52 s VAL 52 Cb -0.12 -2.32 0.15 0.00 0.56 0.00 0.00 36.38 34.65 2f52 s VAL 52 CO -0.00 0.48 1.05 -1.61 -0.31 0.00 0.00 175.10 174.71 2f52 s GLU 53 N 1.04 3.58 0.57 4.82 2.02 -1.26 0.53 118.70 130.00 2f52 s GLU 53 Ca -0.00 -1.87 -0.01 0.00 0.02 0.00 0.00 54.97 53.10 2f52 s GLU 53 Cb -0.15 -4.80 0.12 0.00 0.10 0.00 0.00 34.13 29.40 2f52 s GLU 53 CO -0.02 -1.68 0.79 0.41 0.02 0.00 0.00 175.26 174.78 2f52 n GLY 54 N 5.20 0.54 0.49 -1.39 0.00 0.14 -4.87 105.19 105.30 2f52 n GLY 54 Ca 0.21 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.52 -1.48 -1.01 1.61 -1.24 -2.01 -0.77 115.58 110.16 2f52 h ASN 55 Ca -0.26 0.14 0.23 0.00 0.71 0.00 0.00 56.30 57.12 2f52 h ASN 55 Cb 0.94 0.52 -0.11 0.00 0.73 0.00 0.00 38.32 40.40 2f52 h ASN 55 CO 0.27 -0.62 0.62 0.03 -1.29 0.00 0.00 177.43 176.44 2f52 h ARG 56 N -0.88 0.59 0.00 6.67 3.08 -2.00 -3.47 114.38 118.37 2f52 h ARG 56 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2f52 h ARG 56 Cb 0.82 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2f52 h ARG 56 CO -0.17 0.39 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 2f52 n GLY 57 N -1.36 0.07 3.77 0.04 0.00 -0.30 -5.11 105.19 102.31 2f52 n GLY 57 Ca 0.25 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 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 4.08 0.22 1.61 0.04 -1.25 0.25 135.00 137.96 2f52 s PRO 58 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2f52 s PRO 58 Cb 0.00 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 2f52 s PRO 58 CO 0.00 -0.26 0.11 -0.65 0.04 0.00 0.00 177.00 176.23 2f52 s GLN 59 N -2.38 1.27 -0.02 4.56 -0.21 0.19 -3.70 119.66 119.37 2f52 s GLN 59 Ca 0.58 -1.67 -0.14 0.00 0.02 0.00 0.00 55.36 54.14 2f52 s GLN 59 Cb -0.27 0.01 -0.05 0.00 1.00 0.00 0.00 33.01 33.70 2f52 s GLN 59 CO 0.34 -0.33 0.38 0.00 -2.12 0.00 0.00 175.29 173.56 2f52 s ALA 60 N -3.96 3.71 0.17 6.09 0.00 0.46 -1.04 121.76 127.19 2f52 s ALA 60 Ca 0.37 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.13 2f52 s ALA 60 Cb 0.07 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2f52 s ALA 60 CO 0.12 0.48 -0.14 0.00 0.00 0.00 0.00 175.76 176.22 2f52 s ALA 61 N -1.03 1.77 -0.88 0.00 0.00 0.11 -4.57 121.76 117.16 2f52 s ALA 61 Ca 0.23 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2f52 s ALA 61 Cb -0.16 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2f52 s ALA 61 CO 0.12 0.07 0.62 0.09 0.00 0.00 0.00 175.76 176.67 2f52 n ASN 62 N 0.01 -4.89 -4.69 0.00 3.02 -1.23 -0.87 115.26 106.62 2f52 n ASN 62 Ca -0.11 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.06 2f52 n ASN 62 Cb 0.59 -1.85 -0.05 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 -3.07 5.00 -0.16 2.41 1.01 0.38 -3.54 120.40 122.44 2f52 s VAL 63 Ca 0.07 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.45 2f52 s VAL 63 Cb -0.04 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2f52 s VAL 63 CO 0.90 0.15 -0.18 -0.89 0.00 0.00 0.00 175.10 175.09 2f52 s THR 64 N 1.48 2.39 -0.30 3.92 2.01 0.60 -3.86 115.64 121.89 2f52 s THR 64 Ca 0.34 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 2f52 s THR 64 Cb -0.17 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 2f52 s THR 64 CO 0.14 0.53 1.75 -0.54 -0.69 0.00 0.00 174.62 175.81 2f52 s LYS 65 N 0.91 3.45 0.46 4.92 1.02 -1.26 -0.92 119.74 128.31 2f52 s LYS 65 Ca -0.04 1.48 -0.03 0.00 0.02 0.00 0.00 55.97 57.40 2f52 s LYS 65 Cb -0.15 -4.16 -0.02 0.00 -0.52 0.00 0.00 37.83 32.98 2f52 s LYS 65 CO -0.03 -1.72 0.72 -1.21 -0.92 0.00 0.00 175.35 172.19 2f52 s GLU 66 N 5.42 3.36 0.00 1.68 2.02 0.85 -4.96 118.70 127.08 2f52 s GLU 66 Ca 0.78 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2f52 s GLU 66 Cb -0.23 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2f52 s GLU 66 CO 0.33 -0.19 0.00 0.00 0.02 0.00 0.00 175.26 175.42