#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf5 h PRO 17 N 0.00 0.35 -3.31 5.31 0.13 -2.10 -3.50 132.00 128.88 1xf5 h PRO 17 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1xf5 h PRO 17 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1xf5 h PRO 17 CO 0.00 0.81 -0.78 1.17 -0.23 0.00 0.00 178.00 178.96 1xf5 n LYS 18 N -4.51 -4.17 -2.09 0.86 4.81 -1.26 -4.84 118.16 106.96 1xf5 n LYS 18 Ca -0.07 3.04 -0.37 0.00 -0.87 0.00 0.00 58.31 60.04 1xf5 n LYS 18 Cb 0.41 -3.37 0.03 0.00 0.02 0.00 0.00 35.03 32.12 1xf5 n LYS 18 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xf5 n GLU 19 N -0.06 3.04 0.00 1.64 1.02 -1.26 -5.04 120.64 119.98 1xf5 n GLU 19 Ca 0.00 -3.82 0.00 0.00 -0.02 0.00 0.00 57.16 53.32 1xf5 n GLU 19 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1xf5 n GLU 19 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xf5 n GLU 20 N -0.50 0.00 -1.74 3.49 4.07 -1.26 -2.21 120.64 122.49 1xf5 n GLU 20 Ca 0.50 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.18 1xf5 n GLU 20 Cb 0.33 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.70 1xf5 n GLU 20 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1xf5 n VAL 21 N 0.00 1.77 -4.00 6.31 0.31 0.44 -4.71 118.33 118.44 1xf5 n VAL 21 Ca 0.00 -0.44 -0.31 0.00 -0.01 0.00 0.00 64.34 63.58 1xf5 n VAL 21 Cb 0.00 -1.81 -0.16 0.00 -0.91 0.00 0.00 33.84 30.96 1xf5 n VAL 21 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xf5 s THR 22 N -0.86 1.65 -0.33 2.52 2.01 -1.26 -1.36 115.64 118.02 1xf5 s THR 22 Ca 0.57 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1xf5 s THR 22 Cb -0.52 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1xf5 s THR 22 CO 0.60 0.23 0.18 -0.63 -0.69 0.00 0.00 174.62 174.30 1xf5 s ILE 23 N 1.40 4.64 -0.16 1.82 1.01 -0.13 -4.88 121.20 124.91 1xf5 s ILE 23 Ca -0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 1xf5 s ILE 23 Cb -0.16 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 1xf5 s ILE 23 CO -0.09 -0.04 0.93 -0.54 0.00 0.00 0.00 174.94 175.20 1xf5 s LYS 24 N 1.60 4.33 -0.09 2.79 1.02 0.71 -2.44 119.74 127.66 1xf5 s LYS 24 Ca 0.04 1.20 0.04 0.00 0.02 0.00 0.00 55.97 57.27 1xf5 s LYS 24 Cb -0.18 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1xf5 s LYS 24 CO 0.07 -0.37 -0.23 0.08 -0.92 0.00 0.00 175.35 173.98 1xf5 s VAL 25 N 2.27 1.96 -0.27 3.17 1.01 -0.64 -0.63 120.40 127.27 1xf5 s VAL 25 Ca 0.43 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1xf5 s VAL 25 Cb -0.17 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xf5 s VAL 25 CO 0.13 0.54 0.13 0.20 0.00 0.00 0.00 175.10 176.10 1xf5 s ASN 26 N 0.35 5.58 -0.65 3.32 0.02 0.10 -0.75 114.94 122.90 1xf5 s ASN 26 Ca -0.18 -0.15 -0.15 0.00 -1.02 0.00 0.00 52.86 51.36 1xf5 s ASN 26 Cb -0.18 -2.02 0.16 0.00 0.02 0.00 0.00 41.25 39.24 1xf5 s ASN 26 CO 0.08 -0.06 0.60 -0.76 0.02 0.00 0.00 177.10 176.99 1xf5 s LEU 27 N 1.68 6.41 -0.61 0.60 1.43 0.11 -0.25 118.68 128.05 1xf5 s LEU 27 Ca 0.07 -2.14 -0.20 0.00 -1.03 0.00 0.00 54.13 50.83 1xf5 s LEU 27 Cb -0.16 -2.21 0.10 0.00 0.03 0.00 0.00 46.19 43.95 1xf5 s LEU 27 CO 0.07 -0.75 0.77 -0.63 0.23 0.00 0.00 176.35 176.04 1xf5 s ILE 28 N 1.04 4.70 0.33 -0.59 1.01 0.14 -1.97 121.20 125.87 1xf5 s ILE 28 Ca 0.09 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1xf5 s ILE 28 Cb -0.22 -4.54 -0.09 0.00 0.01 0.00 0.00 42.46 37.61 1xf5 s ILE 28 CO -0.02 -1.21 0.80 -0.36 0.00 0.00 0.00 174.94 174.15 1xf5 s PHE 29 N 3.00 3.42 0.19 3.97 0.40 -0.52 -0.71 117.98 127.74 1xf5 s PHE 29 Ca 0.14 1.37 -0.13 0.00 -0.60 0.00 0.00 56.93 57.71 1xf5 s PHE 29 Cb -0.22 -2.64 0.21 0.00 0.51 0.00 0.00 43.02 40.88 1xf5 s PHE 29 CO 0.07 0.09 1.68 0.00 0.70 0.00 0.00 175.22 177.76 1xf5 h ALA 30 N 2.41 0.50 0.00 5.36 0.00 -1.78 -1.24 119.26 124.51 1xf5 h ALA 30 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xf5 h ALA 30 Cb 1.18 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xf5 h ALA 30 CO 0.64 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1xf5 n ASP 31 N -5.25 0.00 0.00 0.00 5.68 -1.26 -4.78 116.55 110.94 1xf5 n ASP 31 Ca 0.06 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1xf5 n ASP 31 Cb 0.29 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1xf5 n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xf5 n GLY 32 N -1.15 2.62 3.77 6.12 0.00 -0.47 -5.08 105.19 111.00 1xf5 n GLY 32 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xf5 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf5 s LYS 33 N -0.67 3.99 -0.04 1.61 1.02 -1.25 -4.86 119.74 119.53 1xf5 s LYS 33 Ca 0.00 1.79 0.02 0.00 0.02 0.00 0.00 55.97 57.79 1xf5 s LYS 33 Cb 0.00 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1xf5 s LYS 33 CO 0.00 -0.36 -0.08 0.42 -0.92 0.00 0.00 175.35 174.41 1xf5 s ILE 34 N -1.48 0.73 0.02 2.17 -1.09 -1.26 -1.44 121.20 118.86 1xf5 s ILE 34 Ca 0.59 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.77 1xf5 s ILE 34 Cb -0.29 -0.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.88 1xf5 s ILE 34 CO 0.36 0.25 -0.13 -1.10 -1.23 0.00 0.00 174.94 173.10 1xf5 s GLN 35 N 0.57 0.90 0.10 2.79 -0.21 -0.83 -4.99 119.66 117.99 1xf5 s GLN 35 Ca -0.09 -0.64 0.06 0.00 0.02 0.00 0.00 55.36 54.72 1xf5 s GLN 35 Cb -0.12 -0.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 1xf5 s GLN 35 CO 0.01 0.22 -0.07 0.95 -2.12 0.00 0.00 175.29 174.29 1xf5 s THR 36 N -0.68 3.58 0.32 -0.19 -4.23 -1.26 0.05 115.64 113.23 1xf5 s THR 36 Ca 0.02 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1xf5 s THR 36 Cb -0.07 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1xf5 s THR 36 CO 0.01 0.11 0.34 0.00 -0.54 0.00 0.00 174.62 174.53 1xf5 s ALA 37 N -1.26 1.33 -0.15 3.99 0.00 0.07 -4.97 121.76 120.77 1xf5 s ALA 37 Ca 0.23 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.29 1xf5 s ALA 37 Cb -0.11 1.34 0.05 0.00 0.00 0.00 0.00 23.12 24.39 1xf5 s ALA 37 CO 0.15 -0.71 0.37 -1.21 0.00 0.00 0.00 175.76 174.36 1xf5 s GLU 38 N -3.40 0.38 -0.09 0.00 2.02 -1.26 -1.63 118.70 114.72 1xf5 s GLU 38 Ca 0.36 0.62 0.04 0.00 0.02 0.00 0.00 54.97 56.01 1xf5 s GLU 38 Cb 0.02 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1xf5 s GLU 38 CO 0.23 -0.11 -0.23 -0.06 0.02 0.00 0.00 175.26 175.11 1xf5 s PHE 39 N 0.80 2.45 -0.02 1.61 0.40 -1.02 -4.97 117.98 117.22 1xf5 s PHE 39 Ca -0.05 -0.98 0.06 0.00 -0.60 0.00 0.00 56.93 55.35 1xf5 s PHE 39 Cb -0.06 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 1xf5 s PHE 39 CO -0.06 -0.40 -0.18 0.15 0.70 0.00 0.00 175.22 175.44 1xf5 s LYS 40 N 0.35 2.30 0.00 0.44 1.02 -1.26 -0.95 119.74 121.63 1xf5 s LYS 40 Ca -0.18 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1xf5 s LYS 40 Cb -0.18 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1xf5 s LYS 40 CO 0.08 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 1xf5 n GLY 41 N 2.14 -0.83 0.00 -3.33 0.00 -0.46 -4.60 105.19 98.12 1xf5 n GLY 41 Ca -0.17 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1xf5 n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xf5 n THR 42 N 5.53 0.00 0.00 2.61 -2.24 -1.26 -0.42 114.28 118.49 1xf5 n THR 42 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xf5 n THR 42 Cb 0.00 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1xf5 n THR 42 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1xf5 n PHE 43 N -0.98 0.00 0.26 4.78 7.35 -1.26 -4.49 117.46 123.13 1xf5 n PHE 43 Ca 0.11 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.95 1xf5 n PHE 43 Cb 0.05 0.00 0.71 0.00 0.35 0.00 0.00 39.48 40.59 1xf5 n PHE 43 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1xf5 h GLU 44 N 0.00 0.00 0.00 -4.13 5.08 -1.99 0.31 114.58 113.85 1xf5 h GLU 44 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1xf5 h GLU 44 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1xf5 h GLU 44 CO 0.00 0.11 -0.95 1.49 -1.00 0.00 0.00 179.01 178.66 1xf5 h GLU 45 N 0.00 0.00 -0.91 2.33 4.81 -1.91 -3.17 114.58 115.74 1xf5 h GLU 45 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1xf5 h GLU 45 Cb 0.44 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1xf5 h GLU 45 CO 0.01 0.88 0.59 0.00 -0.73 0.00 0.00 179.01 179.77 1xf5 h ALA 46 N -0.47 1.52 0.62 2.92 0.00 -1.77 -0.93 119.26 121.14 1xf5 h ALA 46 Ca -0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1xf5 h ALA 46 Cb 1.15 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xf5 h ALA 46 CO -0.15 0.35 -0.30 1.15 0.00 0.00 0.00 179.25 180.30 1xf5 h THR 47 N 1.02 0.37 -0.89 0.00 2.02 -0.53 -1.83 112.91 113.07 1xf5 h THR 47 Ca 0.39 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.59 1xf5 h THR 47 Cb 0.21 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 1xf5 h THR 47 CO -0.15 0.01 0.57 0.00 0.37 0.00 0.00 175.52 176.33 1xf5 h ALA 48 N -0.55 1.73 -0.01 6.16 0.00 -1.41 0.31 119.26 125.50 1xf5 h ALA 48 Ca -0.08 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1xf5 h ALA 48 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xf5 h ALA 48 CO 0.14 0.05 -0.33 0.93 0.00 0.00 0.00 179.25 180.04 1xf5 h GLU 49 N 0.78 0.02 -0.20 0.00 5.08 -0.95 0.91 114.58 120.22 1xf5 h GLU 49 Ca 0.43 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1xf5 h GLU 49 Cb 0.57 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xf5 h GLU 49 CO -0.19 0.35 -0.41 0.00 -1.00 0.00 0.00 179.01 177.76 1xf5 h ALA 50 N 1.65 0.32 0.45 3.43 0.00 -0.09 -0.92 119.26 124.10 1xf5 h ALA 50 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1xf5 h ALA 50 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xf5 h ALA 50 CO 0.04 0.43 -0.22 1.88 0.00 0.00 0.00 179.25 181.39 1xf5 h TYR 51 N 0.32 -0.56 -0.69 0.00 -1.99 -1.06 -0.11 116.97 112.89 1xf5 h TYR 51 Ca 0.01 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.87 1xf5 h TYR 51 Cb 1.01 0.18 -0.12 0.00 2.00 0.00 0.00 36.73 39.81 1xf5 h TYR 51 CO 0.09 -0.28 0.03 0.00 -0.00 0.00 0.00 178.16 178.00 1xf5 h ARG 52 N -0.75 0.13 -0.64 4.88 -0.00 -0.84 0.32 114.38 117.47 1xf5 h ARG 52 Ca -0.06 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.98 59.36 1xf5 h ARG 52 Cb 0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.44 1xf5 h ARG 52 CO 0.10 0.09 0.21 -0.92 0.00 0.00 0.00 179.97 179.45 1xf5 h TYR 53 N 0.14 0.99 0.63 3.04 3.20 -0.99 -0.68 116.97 123.30 1xf5 h TYR 53 Ca 0.37 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1xf5 h TYR 53 Cb 0.63 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.62 1xf5 h TYR 53 CO -0.37 0.79 -0.30 0.00 -1.64 0.00 0.00 178.16 176.64 1xf5 h ALA 54 N 1.29 -0.84 -0.86 1.82 0.00 0.14 -1.50 119.26 119.31 1xf5 h ALA 54 Ca 0.21 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1xf5 h ALA 54 Cb 0.26 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1xf5 h ALA 54 CO -0.01 -0.96 0.46 -0.44 0.00 0.00 0.00 179.25 178.29 1xf5 h ASP 55 N -0.86 0.57 0.13 0.00 3.32 -0.64 0.67 116.42 119.61 1xf5 h ASP 55 Ca -0.09 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xf5 h ASP 55 Cb 0.65 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1xf5 h ASP 55 CO 0.14 0.25 -0.21 0.25 -1.72 0.00 0.00 179.24 177.95 1xf5 h LEU 56 N 0.66 -0.58 -1.63 1.55 6.46 -0.72 -2.16 115.31 118.89 1xf5 h LEU 56 Ca 0.46 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 58.24 1xf5 h LEU 56 Cb 0.63 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1xf5 h LEU 56 CO -0.35 -0.29 -0.20 -0.07 -0.62 0.00 0.00 178.44 176.90 1xf5 h LEU 57 N -0.40 0.00 -0.87 2.25 4.07 -0.40 -3.04 115.31 116.92 1xf5 h LEU 57 Ca 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1xf5 h LEU 57 Cb 0.41 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 1xf5 h LEU 57 CO -0.10 0.20 0.48 0.00 -1.08 0.00 0.00 178.44 177.94 1xf5 h ALA 58 N 1.80 1.11 -0.99 1.53 0.00 -0.24 -0.70 119.26 121.76 1xf5 h ALA 58 Ca -0.00 -0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.09 1xf5 h ALA 58 Cb 0.40 -0.35 -0.18 0.00 0.00 0.00 0.00 17.79 17.66 1xf5 h ALA 58 CO 0.03 0.61 0.15 0.87 0.00 0.00 0.00 179.25 180.91 1xf5 h LYS 59 N 1.21 0.01 0.00 0.00 1.79 -1.38 0.40 116.57 118.60 1xf5 h LYS 59 Ca 0.31 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1xf5 h LYS 59 Cb 0.02 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1xf5 h LYS 59 CO -0.05 0.01 -0.75 1.55 -1.08 0.00 0.00 179.45 179.12 1xf5 n VAL 60 N -5.43 0.00 -0.01 0.50 3.14 -1.09 -4.59 118.33 110.84 1xf5 n VAL 60 Ca 0.27 -0.19 0.02 0.00 -2.96 0.00 0.00 64.34 61.48 1xf5 n VAL 60 Cb 0.89 0.92 0.04 0.00 -1.06 0.00 0.00 33.84 34.63 1xf5 n VAL 60 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1xf5 n ASN 61 N -1.39 2.07 0.00 6.55 3.02 -0.29 -4.90 115.26 120.31 1xf5 n ASN 61 Ca 0.02 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1xf5 n ASN 61 Cb 0.23 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1xf5 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xf5 n GLY 62 N -0.07 0.22 3.55 7.41 0.00 0.03 -2.43 105.19 113.91 1xf5 n GLY 62 Ca 0.03 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 1xf5 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xf5 n GLU 63 N 0.38 0.66 -4.39 1.61 1.02 -1.26 -4.35 120.64 114.30 1xf5 n GLU 63 Ca 0.00 0.26 -0.24 0.00 -0.02 0.00 0.00 57.16 57.16 1xf5 n GLU 63 Cb 0.00 -1.99 -0.09 0.00 -0.02 0.00 0.00 31.44 29.35 1xf5 n GLU 63 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1xf5 s TRP 64 N -1.65 2.49 0.13 -0.32 1.48 -1.26 -0.33 118.94 119.48 1xf5 s TRP 64 Ca 0.73 -0.36 -0.09 0.00 -1.06 0.00 0.00 56.10 55.32 1xf5 s TRP 64 Cb -0.41 -1.25 -0.00 0.00 -1.16 0.00 0.00 33.47 30.65 1xf5 s TRP 64 CO 0.50 0.60 0.24 0.95 -4.06 0.00 0.00 176.95 175.19 1xf5 s THR 65 N -2.48 0.10 0.15 0.66 -4.23 -0.32 -4.98 115.64 104.54 1xf5 s THR 65 Ca 0.32 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.36 1xf5 s THR 65 Cb -0.03 -1.60 0.05 0.00 1.34 0.00 0.00 72.50 72.26 1xf5 s THR 65 CO 0.18 -0.46 0.50 0.00 -0.54 0.00 0.00 174.62 174.30 1xf5 s ALA 66 N -3.92 -1.21 -0.04 3.99 0.00 -1.26 -0.11 121.76 119.22 1xf5 s ALA 66 Ca 0.11 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1xf5 s ALA 66 Cb 0.04 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1xf5 s ALA 66 CO -0.05 -0.72 -0.25 -0.51 0.00 0.00 0.00 175.76 174.22 1xf5 s ASP 67 N -2.79 3.09 -0.08 0.00 -0.00 -0.37 -4.93 116.67 111.60 1xf5 s ASP 67 Ca 0.03 -0.48 0.02 0.00 -0.00 0.00 0.00 52.55 52.12 1xf5 s ASP 67 Cb 0.00 -0.56 -0.02 0.00 -0.00 0.00 0.00 42.92 42.33 1xf5 s ASP 67 CO -0.11 0.29 -0.13 -0.76 -0.00 0.00 0.00 175.17 174.46 1xf5 s LEU 68 N -0.43 2.81 0.29 1.23 1.02 -1.26 -1.04 118.68 121.30 1xf5 s LEU 68 Ca 0.04 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.02 1xf5 s LEU 68 Cb -0.12 -1.60 -0.06 0.00 0.02 0.00 0.00 46.19 44.44 1xf5 s LEU 68 CO 0.01 0.30 0.06 -1.61 0.02 0.00 0.00 176.35 175.13 1xf5 s GLU 69 N -0.44 1.52 7.71 1.70 2.02 -0.89 -4.89 118.70 125.43 1xf5 s GLU 69 Ca 0.06 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1xf5 s GLU 69 Cb -0.12 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.49 1xf5 s GLU 69 CO 0.02 -0.21 0.00 -0.25 0.02 0.00 0.00 175.26 174.84 1xf5 n ASP 70 N -0.56 0.00 -0.78 -0.19 10.43 -1.26 -0.53 116.55 123.65 1xf5 n ASP 70 Ca -0.02 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.42 1xf5 n ASP 70 Cb 0.66 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.78 1xf5 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xf5 n GLY 71 N 0.00 1.72 0.00 0.44 0.00 -1.26 -4.81 105.19 101.28 1xf5 n GLY 71 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1xf5 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf5 n GLY 72 N 0.89 1.81 0.11 -0.02 0.00 0.30 -5.05 105.19 103.24 1xf5 n GLY 72 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1xf5 n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xf5 n ASN 73 N 0.00 1.48 -4.81 1.61 4.13 -0.46 -4.87 115.26 112.35 1xf5 n ASN 73 Ca 0.00 0.32 -0.31 0.00 1.68 0.00 0.00 54.58 56.27 1xf5 n ASN 73 Cb 0.00 -0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 37.73 1xf5 n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xf5 s MET 75 N -2.35 0.19 -0.45 0.00 1.75 0.20 -2.09 119.30 116.54 1xf5 s MET 75 Ca 0.30 0.68 -0.09 0.00 -1.25 0.00 0.00 55.69 55.33 1xf5 s MET 75 Cb -0.12 -0.05 0.11 0.00 2.84 0.00 0.00 34.83 37.60 1xf5 s MET 75 CO 0.22 -0.23 0.30 -0.80 -0.65 0.00 0.00 175.02 173.87 1xf5 s ASN 76 N 1.96 5.64 -0.26 1.11 0.01 -0.20 0.02 114.94 123.22 1xf5 s ASN 76 Ca -0.03 -1.79 -0.14 0.00 -0.71 0.00 0.00 52.86 50.18 1xf5 s ASN 76 Cb -0.11 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 1xf5 s ASN 76 CO -0.09 -0.63 0.34 -0.63 -1.51 0.00 0.00 177.10 174.58 1xf5 s ILE 77 N 1.36 5.21 -0.10 0.60 1.01 0.66 -1.23 121.20 128.70 1xf5 s ILE 77 Ca 0.05 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1xf5 s ILE 77 Cb -0.25 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1xf5 s ILE 77 CO -0.00 0.20 -0.10 -0.54 0.00 0.00 0.00 174.94 174.50 1xf5 s LYS 78 N 1.83 3.10 -0.07 2.79 1.02 0.85 0.25 119.74 129.51 1xf5 s LYS 78 Ca 0.14 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1xf5 s LYS 78 Cb -0.15 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1xf5 s LYS 78 CO 0.09 0.42 0.04 -0.06 -0.92 0.00 0.00 175.35 174.92 1xf5 s PHE 79 N -0.17 3.27 0.03 3.18 0.40 0.12 -1.17 117.98 123.64 1xf5 s PHE 79 Ca 0.01 0.26 -0.25 0.00 -0.60 0.00 0.00 56.93 56.35 1xf5 s PHE 79 Cb -0.13 -1.80 -0.14 0.00 0.51 0.00 0.00 43.02 41.45 1xf5 s PHE 79 CO 0.03 0.54 1.27 0.00 0.70 0.00 0.00 175.22 177.76 1xf5 h ALA 80 N 4.90 -1.14 0.00 5.36 0.00 -0.79 -3.01 119.26 124.58 1xf5 h ALA 80 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1xf5 h ALA 80 Cb 1.20 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1xf5 h ALA 80 CO 0.56 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 179.15 1xf5 n GLY 81 N -1.14 1.33 3.55 0.00 0.00 -1.02 -4.62 105.19 103.30 1xf5 n GLY 81 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xf5 n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49