#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fif s GLN 2 N 0.00 3.81 0.34 3.17 -0.21 -1.26 -0.31 119.66 125.21 2fif s GLN 2 Ca 0.00 -0.35 0.09 0.00 0.02 0.00 0.00 55.36 55.12 2fif s GLN 2 Cb 0.00 -3.14 -0.06 0.00 1.00 0.00 0.00 33.01 30.81 2fif s GLN 2 CO 0.00 0.35 -0.04 0.96 -2.12 0.00 0.00 175.29 174.44 2fif s ILE 3 N 0.14 2.44 -0.01 1.08 -4.36 -0.93 -0.74 121.20 118.82 2fif s ILE 3 Ca 0.04 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.42 2fif s ILE 3 Cb -0.12 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.85 2fif s ILE 3 CO 0.01 -0.20 -0.23 -0.36 0.24 0.00 0.00 174.94 174.39 2fif s PHE 4 N -2.56 2.06 -0.21 1.37 0.08 -0.45 -1.16 117.98 117.11 2fif s PHE 4 Ca 0.34 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.00 2fif s PHE 4 Cb 0.01 -1.31 0.05 0.00 -0.57 0.00 0.00 43.02 41.20 2fif s PHE 4 CO 0.18 -0.01 -0.08 0.08 -0.10 0.00 0.00 175.22 175.29 2fif s VAL 5 N -0.58 1.51 -0.13 -0.44 1.01 0.10 0.44 120.40 122.32 2fif s VAL 5 Ca 0.09 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2fif s VAL 5 Cb -0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2fif s VAL 5 CO -0.00 0.06 0.48 -0.54 0.00 0.00 0.00 175.10 175.09 2fif s LYS 6 N 1.43 4.32 0.43 2.72 1.02 0.06 -0.46 119.74 129.26 2fif s LYS 6 Ca -0.03 0.44 0.03 0.00 0.02 0.00 0.00 55.97 56.43 2fif s LYS 6 Cb -0.17 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 2fif s LYS 6 CO -0.07 0.13 0.62 0.95 -0.92 0.00 0.00 175.35 176.06 2fif s THR 7 N 0.73 3.62 -1.53 2.17 -4.23 -0.73 -0.49 115.64 115.18 2fif s THR 7 Ca 0.26 -0.74 0.30 0.00 -1.18 0.00 0.00 61.69 60.32 2fif s THR 7 Cb -0.15 -3.30 0.52 0.00 1.34 0.00 0.00 72.50 70.91 2fif s THR 7 CO 0.10 -0.17 1.99 0.18 -0.54 0.00 0.00 174.62 176.18 2fif n LEU 8 N -1.98 0.17 -1.28 4.79 4.77 -1.26 -3.20 117.00 119.02 2fif n LEU 8 Ca 0.03 0.17 0.10 0.00 -0.03 0.00 0.00 56.01 56.28 2fif n LEU 8 Cb 0.58 -0.23 0.30 0.00 -2.33 0.00 0.00 43.42 41.74 2fif n LEU 8 CO 0.44 0.03 0.76 0.35 -1.33 0.00 0.00 177.39 177.64 2fif n THR 9 N -1.15 1.04 -0.57 -5.08 -2.24 -1.26 -4.94 114.28 100.09 2fif n THR 9 Ca 0.15 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2fif n THR 9 Cb 0.25 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2fif n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fif n GLY 10 N 1.47 0.65 3.84 3.38 0.00 -1.19 -5.07 105.19 108.27 2fif n GLY 10 Ca 0.23 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2fif n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fif s LYS 11 N -1.13 3.10 -0.25 1.61 1.02 -1.26 -4.98 119.74 117.86 2fif s LYS 11 Ca 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.37 2fif s LYS 11 Cb 0.00 -2.83 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2fif s LYS 11 CO 0.00 0.56 -0.09 0.99 -0.92 0.00 0.00 175.35 175.89 2fif s THR 12 N -1.52 1.95 -0.14 2.17 2.01 -1.26 -1.77 115.64 117.09 2fif s THR 12 Ca 0.32 -1.47 -0.23 0.00 0.31 0.00 0.00 61.69 60.61 2fif s THR 12 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 2fif s THR 12 CO 0.25 -0.03 0.71 -0.63 -0.69 0.00 0.00 174.62 174.23 2fif s ILE 13 N 1.20 4.99 -0.25 1.82 -1.09 0.39 -4.89 121.20 123.37 2fif s ILE 13 Ca -0.07 1.41 -0.08 0.00 -2.23 0.00 0.00 60.65 59.68 2fif s ILE 13 Cb -0.19 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 2fif s ILE 13 CO -0.06 0.14 0.08 0.42 -1.23 0.00 0.00 174.94 174.29 2fif s THR 14 N 1.54 4.36 0.13 2.92 -4.23 -1.26 0.02 115.64 119.11 2fif s THR 14 Ca 0.35 -0.16 0.07 0.00 -1.18 0.00 0.00 61.69 60.76 2fif s THR 14 Cb -0.17 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 2fif s THR 14 CO 0.14 0.33 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.75 2fif s LEU 15 N 1.62 3.26 -0.29 4.79 1.02 -0.31 -4.99 118.68 123.78 2fif s LEU 15 Ca 0.06 -0.34 -0.10 0.00 0.02 0.00 0.00 54.13 53.77 2fif s LEU 15 Cb -0.15 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 2fif s LEU 15 CO 0.04 0.14 0.15 -0.70 0.02 0.00 0.00 176.35 176.00 2fif s GLU 16 N -2.55 3.57 0.28 1.70 2.56 -1.26 -2.19 118.70 120.81 2fif s GLU 16 Ca 0.25 -0.56 0.04 0.00 0.00 0.00 0.00 54.97 54.70 2fif s GLU 16 Cb -0.10 -3.56 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 2fif s GLU 16 CO 0.17 -0.31 0.21 0.14 -0.56 0.00 0.00 175.26 174.90 2fif s VAL 17 N 1.66 0.06 0.13 3.70 -7.23 0.58 -4.95 120.40 114.35 2fif s VAL 17 Ca 0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 2fif s VAL 17 Cb -0.16 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2fif s VAL 17 CO 0.07 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.09 2fif s GLU 18 N -3.75 1.09 0.39 4.82 0.41 -1.26 -0.67 118.70 119.72 2fif s GLU 18 Ca 0.39 -1.25 0.24 0.00 -0.41 0.00 0.00 54.97 53.93 2fif s GLU 18 Cb 0.04 -1.09 1.29 0.00 -1.78 0.00 0.00 34.13 32.59 2fif s GLU 18 CO 0.21 0.22 1.71 -1.00 -0.49 0.00 0.00 175.26 175.90 2fif h PRO 19 N 3.58 0.00 0.00 0.39 0.13 -1.96 -0.62 132.00 133.52 2fif h PRO 19 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2fif h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2fif h PRO 19 CO 0.48 0.00 -0.36 -1.13 -0.23 0.00 0.00 178.00 176.76 2fif n SER 20 N -2.36 0.42 -4.76 1.44 3.41 -1.26 -1.59 113.62 108.92 2fif n SER 20 Ca -0.02 0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 2fif n SER 20 Cb 0.11 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 2fif n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2fif s ASP 21 N -3.29 6.54 0.50 4.04 1.01 -0.24 -4.79 116.67 120.44 2fif s ASP 21 Ca 0.11 2.81 -0.19 0.00 0.71 0.00 0.00 52.55 55.99 2fif s ASP 21 Cb 0.17 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 2fif s ASP 21 CO 0.65 -0.76 1.02 0.42 0.21 0.00 0.00 175.17 176.71 2fif s THR 22 N -0.39 3.98 0.25 -1.27 -4.23 -1.26 -1.01 115.64 111.70 2fif s THR 22 Ca 0.57 1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 62.18 2fif s THR 22 Cb -0.44 -3.49 0.22 0.00 1.34 0.00 0.00 72.50 70.14 2fif s THR 22 CO 0.50 -0.36 1.82 0.40 -0.54 0.00 0.00 174.62 176.44 2fif h ILE 23 N 1.30 0.94 -0.75 2.99 1.08 -1.11 -0.61 117.51 121.36 2fif h ILE 23 Ca -0.49 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 63.79 2fif h ILE 23 Cb 1.21 -0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.84 2fif h ILE 23 CO 0.59 0.16 -0.47 -0.08 -0.69 0.00 0.00 178.15 177.66 2fif h GLU 24 N 0.87 -0.14 -0.06 2.37 4.81 -1.69 -0.90 114.58 119.84 2fif h GLU 24 Ca 0.41 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2fif h GLU 24 Cb 0.33 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2fif h GLU 24 CO -0.23 -0.09 -0.27 -0.97 -0.73 0.00 0.00 179.01 176.72 2fif h ASN 25 N -0.14 0.11 -0.49 1.04 -0.73 -1.47 -2.57 115.58 111.33 2fif h ASN 25 Ca 0.20 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.25 2fif h ASN 25 Cb 0.54 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 2fif h ASN 25 CO -0.80 0.38 -0.04 0.58 -0.37 0.00 0.00 177.43 177.18 2fif h VAL 26 N 0.10 1.27 -0.65 2.57 2.07 -0.30 -1.38 116.25 119.93 2fif h VAL 26 Ca 0.02 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 2fif h VAL 26 Cb 0.53 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2fif h VAL 26 CO 0.04 0.40 0.15 0.11 0.02 0.00 0.00 177.57 178.28 2fif h LYS 27 N 0.76 1.03 -0.44 1.57 1.57 -0.96 -1.79 116.57 118.29 2fif h LYS 27 Ca 0.13 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2fif h LYS 27 Cb 0.57 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2fif h LYS 27 CO 0.03 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 2fif h ALA 28 N 1.17 1.17 -0.24 3.86 0.00 -1.26 -1.38 119.26 122.59 2fif h ALA 28 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2fif h ALA 28 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2fif h ALA 28 CO 0.00 0.54 -0.27 0.87 0.00 0.00 0.00 179.25 180.39 2fif h LYS 29 N 0.68 0.47 -0.34 0.00 1.57 -0.88 -2.37 116.57 115.71 2fif h LYS 29 Ca 0.14 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2fif h LYS 29 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2fif h LYS 29 CO 0.02 0.70 -0.30 0.82 -0.57 0.00 0.00 179.45 180.12 2fif h ILE 30 N 0.41 1.28 -0.19 1.86 2.04 -0.96 -2.97 117.51 118.98 2fif h ILE 30 Ca 0.06 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 2fif h ILE 30 Cb 0.69 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2fif h ILE 30 CO 0.05 0.47 0.11 -0.61 0.00 0.00 0.00 178.15 178.17 2fif h GLN 31 N 0.61 0.26 -0.43 2.37 4.15 -0.95 0.27 115.11 121.39 2fif h GLN 31 Ca 0.07 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2fif h GLN 31 Cb 0.81 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2fif h GLN 31 CO 0.07 0.23 0.23 -0.44 -1.93 0.00 0.00 178.83 176.99 2fif h ASP 32 N 0.22 0.52 0.19 -0.69 3.32 -1.44 0.28 116.42 118.82 2fif h ASP 32 Ca 0.07 -0.03 -0.35 0.00 0.02 0.00 0.00 57.03 56.73 2fif h ASP 32 Cb 0.04 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.47 2fif h ASP 32 CO -0.01 0.43 -1.77 0.50 -1.72 0.00 0.00 179.24 176.67 2fif h LYS 33 N 0.60 0.39 0.00 3.56 3.64 -1.32 -3.41 116.57 120.02 2fif h LYS 33 Ca 0.15 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2fif h LYS 33 Cb 0.03 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2fif h LYS 33 CO -0.02 1.31 -0.63 0.39 -2.27 0.00 0.00 179.45 178.22 2fif n GLU 34 N -3.58 3.08 0.00 1.90 -0.58 0.92 -5.03 120.64 117.35 2fif n GLU 34 Ca -0.25 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 2fif n GLU 34 Cb 1.07 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 2fif n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fif n GLY 35 N 1.69 1.56 3.66 0.62 0.00 0.99 -5.01 105.19 108.71 2fif n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2fif n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fif s ILE 36 N -2.33 4.00 0.32 -0.61 1.01 -1.26 -4.94 121.20 117.40 2fif s ILE 36 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 2fif s ILE 36 Cb 0.00 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.56 2fif s ILE 36 CO 0.00 -0.10 1.55 -2.84 0.00 0.00 0.00 174.94 173.55 2fif s PRO 37 N 3.55 4.12 0.36 2.79 0.02 -1.26 -3.88 135.00 140.70 2fif s PRO 37 Ca 0.62 2.57 0.07 0.00 0.02 0.00 0.00 61.00 64.28 2fif s PRO 37 Cb -0.26 -3.00 0.78 0.00 0.02 0.00 0.00 34.50 32.03 2fif s PRO 37 CO 0.21 -0.59 1.92 -1.35 -0.33 0.00 0.00 177.00 176.86 2fif h PRO 38 N 4.16 0.70 0.00 5.54 0.11 -1.94 -1.48 132.00 139.09 2fif h PRO 38 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2fif h PRO 38 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2fif h PRO 38 CO 0.74 0.47 0.00 0.38 -0.21 0.00 0.00 178.00 179.37 2fif h ASP 39 N 0.73 0.00 0.14 -2.05 2.03 -1.97 -1.87 116.42 113.42 2fif h ASP 39 Ca 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 2fif h ASP 39 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 2fif h ASP 39 CO -0.14 0.00 -0.74 0.00 -1.03 0.00 0.00 179.24 177.33 2fif n GLN 40 N -2.42 0.26 -3.18 4.15 6.02 -0.56 -4.95 117.38 116.69 2fif n GLN 40 Ca -0.00 -0.20 -0.40 0.00 -0.01 0.00 0.00 57.00 56.39 2fif n GLN 40 Cb 0.14 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 2fif n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2fif s GLN 41 N -2.88 4.18 -0.29 -1.09 -0.21 -0.71 -1.79 119.66 116.87 2fif s GLN 41 Ca 0.12 0.49 -0.06 0.00 0.02 0.00 0.00 55.36 55.94 2fif s GLN 41 Cb 0.17 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.61 2fif s GLN 41 CO 0.76 -0.23 0.05 1.03 -2.12 0.00 0.00 175.29 174.77 2fif s ARG 42 N 1.91 2.99 -0.18 2.91 0.52 0.02 -4.97 118.95 122.15 2fif s ARG 42 Ca 0.26 -0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 54.47 2fif s ARG 42 Cb -0.16 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2fif s ARG 42 CO 0.10 -0.45 0.11 -0.51 0.02 0.00 0.00 175.30 174.57 2fif s LEU 43 N 1.45 4.12 -0.08 2.53 1.43 -1.26 -0.57 118.68 126.30 2fif s LEU 43 Ca 0.02 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2fif s LEU 43 Cb -0.17 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 2fif s LEU 43 CO 0.01 0.23 -0.22 -0.63 0.23 0.00 0.00 176.35 175.97 2fif s ILE 44 N 0.04 2.31 -0.14 -0.59 1.09 0.26 -0.43 121.20 123.75 2fif s ILE 44 Ca 0.08 -0.95 -0.07 0.00 -1.10 0.00 0.00 60.65 58.61 2fif s ILE 44 Cb -0.12 -1.88 0.06 0.00 -1.06 0.00 0.00 42.46 39.46 2fif s ILE 44 CO -0.00 0.56 0.32 0.12 -0.10 0.00 0.00 174.94 175.84 2fif s PHE 45 N 0.05 -0.47 -1.56 3.97 5.36 -0.42 -1.19 117.98 123.72 2fif s PHE 45 Ca -0.09 1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 2fif s PHE 45 Cb -0.15 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 2fif s PHE 45 CO 0.06 -0.31 0.47 0.00 -1.46 0.00 0.00 175.22 173.98 2fif n ALA 46 N 4.49 -0.92 -0.81 11.12 0.00 -1.26 -1.47 120.51 131.66 2fif n ALA 46 Ca -0.21 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2fif n ALA 46 Cb 0.53 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.55 2fif n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fif n GLY 47 N -1.38 0.79 3.40 0.00 0.00 -1.26 -5.04 105.19 101.69 2fif n GLY 47 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2fif n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fif s LYS 48 N -0.19 2.67 0.10 1.61 -0.14 -0.54 -5.11 119.74 118.14 2fif s LYS 48 Ca 0.00 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 2fif s LYS 48 Cb 0.00 -2.36 -0.06 0.00 -1.68 0.00 0.00 37.83 33.74 2fif s LYS 48 CO 0.00 0.48 1.02 -0.65 -0.76 0.00 0.00 175.35 175.44 2fif s GLN 49 N -0.38 4.62 -0.08 1.68 -0.21 -1.26 -1.30 119.66 122.73 2fif s GLN 49 Ca 0.04 1.53 -0.22 0.00 0.02 0.00 0.00 55.36 56.73 2fif s GLN 49 Cb -0.12 -3.37 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 2fif s GLN 49 CO 0.02 0.08 0.65 -0.51 -2.12 0.00 0.00 175.29 173.42 2fif s LEU 50 N 0.24 4.30 -0.10 2.90 1.43 0.43 -4.98 118.68 122.90 2fif s LEU 50 Ca 0.50 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.57 2fif s LEU 50 Cb -0.25 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 2fif s LEU 50 CO 0.30 -0.10 0.29 -1.61 0.23 0.00 0.00 176.35 175.46 2fif s GLU 51 N 0.84 3.97 0.35 1.70 2.02 -1.26 -4.66 118.70 121.66 2fif s GLU 51 Ca 0.35 0.14 0.13 0.00 0.02 0.00 0.00 54.97 55.60 2fif s GLU 51 Cb -0.17 -3.31 0.97 0.00 0.10 0.00 0.00 34.13 31.72 2fif s GLU 51 CO 0.16 0.50 1.73 -0.44 0.02 0.00 0.00 175.26 177.23 2fif h ASP 52 N 5.70 0.59 0.70 -0.19 3.32 -1.96 -2.00 116.42 122.58 2fif h ASP 52 Ca -0.47 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 2fif h ASP 52 Cb 1.20 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2fif h ASP 52 CO 0.67 0.08 -0.21 1.23 -1.72 0.00 0.00 179.24 179.29 2fif h GLY 53 N 0.50 0.00 -1.45 2.75 0.00 -1.97 -2.50 103.07 100.40 2fif h GLY 53 Ca 0.64 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.51 2fif h GLY 53 CO -0.43 0.00 0.14 0.50 0.00 0.00 0.00 176.54 176.75 2fif s ARG 54 N -3.85 2.50 0.48 4.80 1.81 -0.75 -4.88 118.95 119.05 2fif s ARG 54 Ca -0.01 -0.33 0.08 0.00 -1.72 0.00 0.00 55.73 53.75 2fif s ARG 54 Cb 0.11 -2.29 0.02 0.00 -0.45 0.00 0.00 34.95 32.35 2fif s ARG 54 CO 0.63 -0.93 0.52 0.95 -0.68 0.00 0.00 175.30 175.79 2fif s THR 55 N -3.03 2.44 0.17 0.02 -4.23 -1.26 -0.99 115.64 108.76 2fif s THR 55 Ca 0.57 -1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 2fif s THR 55 Cb -0.11 -2.65 0.07 0.00 1.34 0.00 0.00 72.50 71.15 2fif s THR 55 CO 0.43 0.00 1.81 -0.07 -0.54 0.00 0.00 174.62 176.25 2fif h LEU 56 N 0.69 0.66 -1.80 4.79 4.07 -1.10 -2.82 115.31 119.80 2fif h LEU 56 Ca -0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.51 2fif h LEU 56 Cb 1.28 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 2fif h LEU 56 CO 0.51 0.52 -0.08 0.77 -1.08 0.00 0.00 178.44 179.08 2fif h SER 57 N 0.74 0.00 0.23 -0.43 4.64 -1.49 -2.07 113.55 115.17 2fif h SER 57 Ca 0.20 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 2fif h SER 57 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2fif h SER 57 CO -0.04 0.08 -0.18 0.44 -0.87 0.00 0.00 176.83 176.26 2fif h ASP 58 N 0.00 0.00 -0.51 4.97 3.32 -1.78 -2.35 116.42 120.08 2fif h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2fif h ASP 58 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2fif h ASP 58 CO 0.01 0.18 0.00 -1.22 -1.72 0.00 0.00 179.24 176.49 2fif n TYR 59 N -4.15 0.68 -2.79 4.55 4.02 -1.06 -4.96 117.16 113.45 2fif n TYR 59 Ca -0.02 -0.45 -0.19 0.00 -0.01 0.00 0.00 57.90 57.22 2fif n TYR 59 Cb 0.25 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.58 2fif n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2fif n ASN 60 N 1.14 -5.54 -4.63 7.72 4.05 -0.88 -4.97 115.26 112.16 2fif n ASN 60 Ca 0.18 -0.20 -0.43 0.00 0.45 0.00 0.00 54.58 54.58 2fif n ASN 60 Cb 0.53 -4.43 -0.02 0.00 1.23 0.00 0.00 39.78 37.09 2fif n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2fif s ILE 61 N -3.06 4.27 0.31 -1.44 1.01 -0.80 -5.01 121.20 116.48 2fif s ILE 61 Ca 0.21 1.41 0.02 0.00 0.00 0.00 0.00 60.65 62.28 2fif s ILE 61 Cb -0.09 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 38.05 2fif s ILE 61 CO 0.26 -0.61 0.13 0.00 0.00 0.00 0.00 174.94 174.71 2fif n GLN 62 N 7.31 1.14 -1.64 2.79 6.02 -1.26 -4.34 117.38 127.40 2fif n GLN 62 Ca 0.13 -2.09 -0.54 0.00 -0.01 0.00 0.00 57.00 54.50 2fif n GLN 62 Cb 0.47 0.39 -0.06 0.00 1.02 0.00 0.00 30.24 32.06 2fif n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2fif n LYS 63 N -1.01 1.22 -1.10 -1.09 -0.00 -1.26 -1.57 118.16 113.34 2fif n LYS 63 Ca -0.07 0.44 -0.04 0.00 -0.00 0.00 0.00 58.31 58.65 2fif n LYS 63 Cb 0.37 -2.11 -0.02 0.00 -0.00 0.00 0.00 35.03 33.28 2fif n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2fif n GLU 64 N 3.71 -0.68 -1.91 -1.58 4.71 0.08 -5.01 120.64 119.96 2fif n GLU 64 Ca 0.21 0.45 -0.36 0.00 -0.01 0.00 0.00 57.16 57.45 2fif n GLU 64 Cb 0.18 -4.14 0.05 0.00 -1.01 0.00 0.00 31.44 26.51 2fif n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2fif s SER 65 N -2.40 4.97 -0.19 1.62 0.01 -0.61 -4.75 113.70 112.35 2fif s SER 65 Ca 0.00 2.46 -0.01 0.00 1.31 0.00 0.00 55.95 59.71 2fif s SER 65 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2fif s SER 65 CO 0.00 -1.74 -0.14 -0.89 0.41 0.00 0.00 173.24 170.87 2fif s THR 66 N -1.55 2.57 0.34 1.44 2.01 -1.26 -1.34 115.64 117.84 2fif s THR 66 Ca 0.79 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 62.09 2fif s THR 66 Cb -0.33 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 2fif s THR 66 CO 0.35 0.50 0.42 -0.76 -0.69 0.00 0.00 174.62 174.44 2fif s LEU 67 N 1.29 3.85 0.14 4.42 1.43 0.17 -4.89 118.68 125.08 2fif s LEU 67 Ca 0.04 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2fif s LEU 67 Cb -0.14 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2fif s LEU 67 CO -0.08 -0.42 -0.19 -1.00 0.23 0.00 0.00 176.35 174.89 2fif s HIS 68 N -2.22 2.47 -0.13 0.29 3.76 -0.34 -0.76 115.29 118.37 2fif s HIS 68 Ca 0.44 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 2fif s HIS 68 Cb -0.08 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.33 2fif s HIS 68 CO 0.30 0.42 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.23 2fif s LEU 69 N -2.32 2.02 -0.10 0.89 2.96 0.36 -0.57 118.68 121.92 2fif s LEU 69 Ca 0.19 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2fif s LEU 69 Cb -0.10 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 2fif s LEU 69 CO 0.10 0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.32 2fif s VAL 70 N 0.81 2.53 -0.23 1.68 1.01 0.27 -4.14 120.40 122.33 2fif s VAL 70 Ca -0.08 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2fif s VAL 70 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2fif s VAL 70 CO -0.01 0.55 0.50 -0.76 0.00 0.00 0.00 175.10 175.39 2fif s LEU 71 N 0.14 4.10 0.14 3.92 1.02 -1.26 -0.80 118.68 125.94 2fif s LEU 71 Ca -0.10 0.58 -0.30 0.00 0.02 0.00 0.00 54.13 54.34 2fif s LEU 71 Cb -0.16 -2.67 -0.07 0.00 0.02 0.00 0.00 46.19 43.32 2fif s LEU 71 CO 0.06 -0.22 0.94 0.00 0.02 0.00 0.00 176.35 177.15 2fif s ARG 72 N 1.93 4.73 0.00 1.70 1.70 -0.74 -5.00 118.95 123.26 2fif s ARG 72 Ca 0.22 1.44 0.28 0.00 -0.47 0.00 0.00 55.73 57.19 2fif s ARG 72 Cb -0.15 -3.35 0.95 0.00 -0.57 0.00 0.00 34.95 31.82 2fif s ARG 72 CO 0.09 0.30 1.69 1.28 -1.08 0.00 0.00 175.30 177.58