#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf5 n THR 13 N 0.00 -0.53 0.00 0.58 5.66 -1.26 -4.88 114.28 113.85 1xf5 n THR 13 Ca 0.00 0.11 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1xf5 n THR 13 Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 1xf5 n THR 13 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1xf5 n PRO 14 N 0.97 0.00 -0.91 1.09 -0.02 -1.26 -4.90 135.00 129.97 1xf5 n PRO 14 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1xf5 n PRO 14 Cb 0.11 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 33.76 1xf5 n PRO 14 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xf5 n GLU 15 N 0.00 2.01 0.00 -0.52 0.00 -1.26 -4.81 120.64 116.06 1xf5 n GLU 15 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 57.16 53.75 1xf5 n GLU 15 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 29.64 1xf5 n GLU 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xf5 n GLU 16 N -1.05 0.00 -4.49 3.44 4.71 -1.26 -5.09 120.64 116.89 1xf5 n GLU 16 Ca 0.29 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 57.22 1xf5 n GLU 16 Cb 0.84 0.00 -0.14 0.00 -1.01 0.00 0.00 31.44 31.13 1xf5 n GLU 16 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1xf5 s PRO 17 N 0.00 1.04 0.00 3.49 0.04 -1.26 -5.02 135.00 133.29 1xf5 s PRO 17 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1xf5 s PRO 17 Cb 0.00 -1.04 0.00 0.00 0.04 0.00 0.00 34.50 33.50 1xf5 s PRO 17 CO 0.00 0.27 0.00 1.63 0.04 0.00 0.00 177.00 178.94 1xf5 n LYS 18 N 2.23 0.00 -1.58 4.56 4.01 -1.26 -4.91 118.16 121.22 1xf5 n LYS 18 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1xf5 n LYS 18 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 1xf5 n LYS 18 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1xf5 n GLU 19 N 0.00 0.00 -3.13 1.97 2.13 -1.26 -4.87 120.64 115.48 1xf5 n GLU 19 Ca 0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 1xf5 n GLU 19 Cb 0.00 -0.44 -0.03 0.00 0.27 0.00 0.00 31.44 31.24 1xf5 n GLU 19 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1xf5 s GLU 20 N 0.00 3.36 0.66 5.31 0.41 -1.26 -3.96 118.70 123.22 1xf5 s GLU 20 Ca 0.00 -1.79 -0.03 0.00 -0.41 0.00 0.00 54.97 52.73 1xf5 s GLU 20 Cb 0.00 -4.49 0.07 0.00 -1.78 0.00 0.00 34.13 27.93 1xf5 s GLU 20 CO 0.00 -1.52 0.94 0.54 -0.49 0.00 0.00 175.26 174.73 1xf5 s VAL 21 N 1.90 2.38 -0.16 2.63 0.11 0.67 -4.77 120.40 123.16 1xf5 s VAL 21 Ca 0.19 -0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1xf5 s VAL 21 Cb -0.15 -2.93 0.04 0.00 -1.53 0.00 0.00 36.38 31.81 1xf5 s VAL 21 CO -0.03 0.00 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.83 1xf5 s THR 22 N -3.09 0.90 -0.37 5.04 2.01 -1.26 -1.52 115.64 117.35 1xf5 s THR 22 Ca 0.61 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 1xf5 s THR 22 Cb -0.09 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1xf5 s THR 22 CO 0.43 0.07 0.42 -0.63 -0.69 0.00 0.00 174.62 174.22 1xf5 s ILE 23 N 1.72 5.10 -0.13 1.82 -1.09 -0.14 -4.91 121.20 123.57 1xf5 s ILE 23 Ca 0.01 0.00 -0.20 0.00 -2.23 0.00 0.00 60.65 58.23 1xf5 s ILE 23 Cb -0.15 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1xf5 s ILE 23 CO -0.07 -0.23 0.57 -0.54 -1.23 0.00 0.00 174.94 173.44 1xf5 s LYS 24 N 2.15 4.33 0.00 2.79 1.02 -1.12 -2.21 119.74 126.70 1xf5 s LYS 24 Ca 0.14 0.59 0.06 0.00 0.02 0.00 0.00 55.97 56.78 1xf5 s LYS 24 Cb -0.16 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1xf5 s LYS 24 CO 0.13 0.02 -0.20 0.08 -0.92 0.00 0.00 175.35 174.46 1xf5 s VAL 25 N 1.03 1.55 -0.19 3.17 1.01 -0.13 -1.34 120.40 125.50 1xf5 s VAL 25 Ca 0.29 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1xf5 s VAL 25 Cb -0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1xf5 s VAL 25 CO 0.12 0.36 0.01 0.20 0.00 0.00 0.00 175.10 175.80 1xf5 s ASN 26 N -0.66 5.06 -0.41 3.32 0.01 0.05 -1.41 114.94 120.89 1xf5 s ASN 26 Ca 0.07 -0.11 -0.09 0.00 -0.71 0.00 0.00 52.86 52.03 1xf5 s ASN 26 Cb -0.08 -1.86 0.08 0.00 0.41 0.00 0.00 41.25 39.80 1xf5 s ASN 26 CO -0.00 0.11 0.25 -0.76 -1.51 0.00 0.00 177.10 175.19 1xf5 s LEU 27 N 0.72 5.11 -0.27 0.60 1.43 0.11 -1.30 118.68 125.08 1xf5 s LEU 27 Ca 0.01 -1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 51.48 1xf5 s LEU 27 Cb -0.14 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1xf5 s LEU 27 CO 0.02 -0.53 0.16 -0.63 0.23 0.00 0.00 176.35 175.61 1xf5 s ILE 28 N 1.40 5.13 0.15 -0.59 1.01 0.80 -0.95 121.20 128.16 1xf5 s ILE 28 Ca 0.03 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1xf5 s ILE 28 Cb -0.23 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1xf5 s ILE 28 CO 0.02 0.28 0.25 -0.36 0.00 0.00 0.00 174.94 175.13 1xf5 s PHE 29 N 1.61 3.41 0.25 3.97 0.40 -0.65 -0.63 117.98 126.33 1xf5 s PHE 29 Ca 0.07 0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.45 1xf5 s PHE 29 Cb -0.15 -1.63 0.45 0.00 0.51 0.00 0.00 43.02 42.20 1xf5 s PHE 29 CO 0.09 0.52 1.75 0.00 0.70 0.00 0.00 175.22 178.28 1xf5 h ALA 30 N 2.20 1.11 0.00 5.36 0.00 -1.78 0.10 119.26 126.25 1xf5 h ALA 30 Ca -0.48 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xf5 h ALA 30 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xf5 h ALA 30 CO 0.67 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.40 1xf5 n ASP 31 N -4.92 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 111.21 1xf5 n ASP 31 Ca 0.14 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1xf5 n ASP 31 Cb 0.38 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 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 -0.40 1.33 3.78 6.12 0.00 0.02 -5.08 105.19 110.97 1xf5 n GLY 32 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.91 4.15 -0.10 1.61 1.02 -1.26 -4.80 119.74 119.46 1xf5 s LYS 33 Ca 0.00 1.64 0.03 0.00 0.02 0.00 0.00 55.97 57.66 1xf5 s LYS 33 Cb 0.00 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1xf5 s LYS 33 CO 0.00 -0.18 -0.19 0.42 -0.92 0.00 0.00 175.35 174.47 1xf5 s ILE 34 N -1.54 1.73 0.24 2.17 -1.09 -1.26 -1.64 121.20 119.81 1xf5 s ILE 34 Ca 0.57 -0.81 0.11 0.00 -2.23 0.00 0.00 60.65 58.29 1xf5 s ILE 34 Cb -0.26 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 1xf5 s ILE 34 CO 0.32 0.49 -0.18 -1.10 -1.23 0.00 0.00 174.94 173.24 1xf5 s GLN 35 N 0.57 1.74 0.03 2.79 -0.21 -0.12 -4.95 119.66 119.50 1xf5 s GLN 35 Ca -0.15 -1.59 0.09 0.00 0.02 0.00 0.00 55.36 53.72 1xf5 s GLN 35 Cb -0.17 -1.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 1xf5 s GLN 35 CO 0.05 0.37 -0.25 0.99 -2.12 0.00 0.00 175.29 174.33 1xf5 s THR 36 N -2.12 2.26 0.07 -0.19 2.01 -1.26 0.04 115.64 116.44 1xf5 s THR 36 Ca 0.26 -1.28 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1xf5 s THR 36 Cb -0.07 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1xf5 s THR 36 CO 0.14 0.41 0.09 0.00 -0.69 0.00 0.00 174.62 174.57 1xf5 s ALA 37 N -0.78 0.12 0.04 7.40 0.00 -0.50 -4.98 121.76 123.06 1xf5 s ALA 37 Ca 0.12 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1xf5 s ALA 37 Cb -0.10 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1xf5 s ALA 37 CO 0.02 -0.44 -0.10 -1.21 0.00 0.00 0.00 175.76 174.03 1xf5 s GLU 38 N -3.86 0.63 -0.06 0.00 2.02 -1.26 -0.96 118.70 115.20 1xf5 s GLU 38 Ca 0.06 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1xf5 s GLU 38 Cb 0.06 -0.50 0.02 0.00 0.10 0.00 0.00 34.13 33.81 1xf5 s GLU 38 CO -0.10 0.11 -0.04 -0.06 0.02 0.00 0.00 175.26 175.19 1xf5 s PHE 39 N -1.12 0.84 0.20 1.61 0.40 -0.94 -4.99 117.98 113.99 1xf5 s PHE 39 Ca -0.05 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1xf5 s PHE 39 Cb -0.09 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 1xf5 s PHE 39 CO 0.01 -0.28 0.13 0.15 0.70 0.00 0.00 175.22 175.93 1xf5 s LYS 40 N 1.38 2.83 0.00 0.44 -0.14 -1.26 -0.97 119.74 122.02 1xf5 s LYS 40 Ca -0.03 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 1xf5 s LYS 40 Cb -0.13 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 1xf5 s LYS 40 CO -0.03 0.45 0.00 0.41 -0.76 0.00 0.00 175.35 175.42 1xf5 n GLY 41 N -0.59 0.88 3.80 -3.33 0.00 -0.58 -4.52 105.19 100.86 1xf5 n GLY 41 Ca -0.08 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1xf5 n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xf5 s THR 42 N -2.14 3.74 0.33 2.61 -1.32 -1.25 0.24 115.64 117.85 1xf5 s THR 42 Ca 0.00 0.71 0.05 0.00 -1.21 0.00 0.00 61.69 61.24 1xf5 s THR 42 Cb 0.00 -3.29 0.30 0.00 -1.51 0.00 0.00 72.50 68.00 1xf5 s THR 42 CO 0.00 -0.60 1.89 0.15 -2.21 0.00 0.00 174.62 173.85 1xf5 h PHE 43 N -0.16 0.91 -0.24 9.09 3.04 -1.92 -1.00 116.94 126.67 1xf5 h PHE 43 Ca -0.45 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.47 1xf5 h PHE 43 Cb 1.22 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.43 1xf5 h PHE 43 CO 0.59 0.40 -0.03 0.93 -2.02 0.00 0.00 178.31 178.17 1xf5 h GLU 44 N 0.82 0.44 0.98 1.11 5.08 -1.96 -2.81 114.58 118.24 1xf5 h GLU 44 Ca 0.42 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1xf5 h GLU 44 Cb 0.50 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xf5 h GLU 44 CO -0.19 0.65 -0.49 0.93 -1.00 0.00 0.00 179.01 178.92 1xf5 h GLU 45 N 0.19 -1.29 -0.76 2.33 5.08 -1.70 -2.50 114.58 115.93 1xf5 h GLU 45 Ca 0.06 0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 1xf5 h GLU 45 Cb 0.48 0.29 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 1xf5 h GLU 45 CO 0.02 -0.86 0.34 0.00 -1.00 0.00 0.00 179.01 177.51 1xf5 h ALA 46 N -1.35 1.08 -0.65 3.43 0.00 -1.32 -0.26 119.26 120.20 1xf5 h ALA 46 Ca -0.13 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xf5 h ALA 46 Cb 1.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xf5 h ALA 46 CO 0.21 -0.16 0.29 1.15 0.00 0.00 0.00 179.25 180.75 1xf5 h THR 47 N 0.51 1.23 0.00 0.00 2.02 -1.50 -1.52 112.91 113.64 1xf5 h THR 47 Ca 0.41 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1xf5 h THR 47 Cb 0.58 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1xf5 h THR 47 CO -0.37 0.27 -0.19 0.00 0.37 0.00 0.00 175.52 175.60 1xf5 h ALA 48 N 1.13 1.48 0.53 6.16 0.00 -0.78 -2.26 119.26 125.52 1xf5 h ALA 48 Ca 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xf5 h ALA 48 Cb 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xf5 h ALA 48 CO -0.02 0.23 -0.26 0.93 0.00 0.00 0.00 179.25 180.13 1xf5 h GLU 49 N 0.00 -0.69 -0.68 0.00 4.39 -0.15 -2.11 114.58 115.34 1xf5 h GLU 49 Ca -0.00 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.89 1xf5 h GLU 49 Cb 0.38 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 29.08 1xf5 h GLU 49 CO 0.02 -0.41 0.09 0.00 -1.16 0.00 0.00 179.01 177.56 1xf5 h ALA 50 N -0.99 0.78 0.09 3.43 0.00 -1.18 0.19 119.26 121.58 1xf5 h ALA 50 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xf5 h ALA 50 Cb 0.60 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xf5 h ALA 50 CO 0.12 -0.36 -0.07 1.88 0.00 0.00 0.00 179.25 180.82 1xf5 h TYR 51 N 0.20 -0.18 -0.32 0.00 0.99 -1.43 0.23 116.97 116.45 1xf5 h TYR 51 Ca 0.37 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.10 1xf5 h TYR 51 Cb 0.61 0.07 -0.02 0.00 1.00 0.00 0.00 36.73 38.40 1xf5 h TYR 51 CO -0.31 -0.11 0.20 0.00 -0.00 0.00 0.00 178.16 177.94 1xf5 h ARG 52 N -0.17 0.40 -0.70 4.88 3.08 -0.54 0.13 114.38 121.46 1xf5 h ARG 52 Ca -0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.10 1xf5 h ARG 52 Cb 0.15 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1xf5 h ARG 52 CO -0.01 0.27 0.37 -0.92 -1.07 0.00 0.00 179.97 178.61 1xf5 h TYR 53 N 0.41 0.67 -0.03 3.04 3.20 -0.41 0.73 116.97 124.58 1xf5 h TYR 53 Ca 0.12 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1xf5 h TYR 53 Cb -0.03 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1xf5 h TYR 53 CO -0.06 0.28 -0.02 0.00 -1.64 0.00 0.00 178.16 176.73 1xf5 h ALA 54 N 1.39 0.01 -0.49 1.82 0.00 0.32 0.38 119.26 122.70 1xf5 h ALA 54 Ca 0.33 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1xf5 h ALA 54 Cb 0.28 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1xf5 h ALA 54 CO -0.22 -0.50 0.19 -0.44 0.00 0.00 0.00 179.25 178.27 1xf5 h ASP 55 N -0.02 0.22 -0.68 0.00 3.32 0.65 0.44 116.42 120.35 1xf5 h ASP 55 Ca 0.02 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1xf5 h ASP 55 Cb 0.04 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1xf5 h ASP 55 CO -0.04 0.16 0.39 0.25 -1.72 0.00 0.00 179.24 178.28 1xf5 h LEU 56 N 0.38 0.60 -0.54 1.55 6.46 0.13 -1.68 115.31 122.22 1xf5 h LEU 56 Ca 0.23 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1xf5 h LEU 56 Cb 0.22 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1xf5 h LEU 56 CO -0.22 0.40 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.53 1xf5 h LEU 57 N 0.74 0.00 -1.49 2.25 4.07 0.58 -3.07 115.31 118.39 1xf5 h LEU 57 Ca 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 1xf5 h LEU 57 Cb 0.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1xf5 h LEU 57 CO -0.16 0.40 -0.03 0.00 -1.08 0.00 0.00 178.44 177.56 1xf5 h ALA 58 N 1.60 1.01 -0.10 1.53 0.00 0.79 -1.37 119.26 122.72 1xf5 h ALA 58 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xf5 h ALA 58 Cb 1.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xf5 h ALA 58 CO 0.05 0.04 0.13 0.87 0.00 0.00 0.00 179.25 180.34 1xf5 h LYS 59 N 0.00 0.00 0.00 0.00 1.57 -1.38 -1.59 116.57 115.17 1xf5 h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xf5 h LYS 59 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xf5 h LYS 59 CO 0.00 0.00 -0.85 1.33 -0.57 0.00 0.00 179.45 179.36 1xf5 n VAL 60 N -3.74 0.00 0.46 0.50 0.24 -1.05 -4.78 118.33 109.97 1xf5 n VAL 60 Ca -0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1xf5 n VAL 60 Cb 0.23 -0.84 0.21 0.00 -1.47 0.00 0.00 33.84 31.96 1xf5 n VAL 60 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xf5 n ASN 61 N -1.77 3.33 0.00 -1.34 4.13 -0.54 -4.71 115.26 114.35 1xf5 n ASN 61 Ca 0.00 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.28 1xf5 n ASN 61 Cb 0.42 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1xf5 n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xf5 n GLY 62 N 1.47 0.96 3.76 7.41 0.00 -0.60 0.76 105.19 118.96 1xf5 n GLY 62 Ca 0.19 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1xf5 n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf5 s GLU 63 N -1.59 3.75 0.19 1.61 2.02 -1.26 -4.15 118.70 119.27 1xf5 s GLU 63 Ca 0.00 2.22 0.09 0.00 0.02 0.00 0.00 54.97 57.30 1xf5 s GLU 63 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1xf5 s GLU 63 CO 0.00 -0.69 -0.09 1.67 0.02 0.00 0.00 175.26 176.17 1xf5 s TRP 64 N -1.27 2.64 0.14 1.61 1.48 -1.26 -0.30 118.94 121.98 1xf5 s TRP 64 Ca 0.61 -0.22 0.02 0.00 -1.06 0.00 0.00 56.10 55.45 1xf5 s TRP 64 Cb -0.39 -1.28 -0.04 0.00 -1.16 0.00 0.00 33.47 30.59 1xf5 s TRP 64 CO 0.50 0.52 -0.04 0.95 -4.06 0.00 0.00 176.95 174.82 1xf5 s THR 65 N -1.77 0.79 0.13 0.66 -4.23 -0.82 -4.99 115.64 105.41 1xf5 s THR 65 Ca 0.26 -1.98 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1xf5 s THR 65 Cb -0.09 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 1xf5 s THR 65 CO 0.16 -0.67 0.20 0.00 -0.54 0.00 0.00 174.62 173.77 1xf5 s ALA 66 N -3.58 0.11 -0.18 3.99 0.00 -1.26 -1.64 121.76 119.20 1xf5 s ALA 66 Ca 0.18 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1xf5 s ALA 66 Cb 0.05 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.93 1xf5 s ALA 66 CO 0.00 -0.56 -0.05 -0.51 0.00 0.00 0.00 175.76 174.64 1xf5 s ASP 67 N -2.95 3.10 0.42 0.00 -0.00 -0.88 -4.95 116.67 111.42 1xf5 s ASP 67 Ca 0.14 -0.80 -0.02 0.00 -0.00 0.00 0.00 52.55 51.87 1xf5 s ASP 67 Cb 0.05 -0.98 -0.03 0.00 -0.00 0.00 0.00 42.92 41.95 1xf5 s ASP 67 CO -0.04 -0.20 0.67 -0.76 -0.00 0.00 0.00 175.17 174.85 1xf5 s LEU 68 N 1.57 3.80 -0.07 1.23 2.01 -1.26 -2.07 118.68 123.89 1xf5 s LEU 68 Ca -0.01 0.67 -0.32 0.00 0.01 0.00 0.00 54.13 54.49 1xf5 s LEU 68 Cb -0.16 -3.58 0.12 0.00 0.01 0.00 0.00 46.19 42.58 1xf5 s LEU 68 CO -0.08 -0.46 1.23 -1.83 1.01 0.00 0.00 176.35 176.22 1xf5 s GLU 69 N -4.54 0.43 -1.32 1.70 -1.05 -1.08 -4.90 118.70 107.93 1xf5 s GLU 69 Ca 0.44 -0.21 -0.07 0.00 -0.15 0.00 0.00 54.97 54.98 1xf5 s GLU 69 Cb -0.10 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.76 1xf5 s GLU 69 CO 0.40 -0.19 1.15 -0.25 0.95 0.00 0.00 175.26 177.32 1xf5 n ASP 70 N -0.34 -5.59 0.00 0.83 8.00 -1.26 -0.98 116.55 117.21 1xf5 n ASP 70 Ca -0.05 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1xf5 n ASP 70 Cb 0.61 -5.04 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 1xf5 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf5 n GLY 71 N -1.85 0.37 0.00 0.44 0.00 -1.26 -1.89 105.19 101.00 1xf5 n GLY 71 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.48 1.15 0.85 -0.02 0.00 -0.16 -4.98 105.19 100.55 1xf5 n GLY 72 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 2.44 -3.67 1.61 3.02 -0.73 -4.76 115.26 113.17 1xf5 n ASN 73 Ca 0.00 -2.13 -0.08 0.00 -0.03 0.00 0.00 54.58 52.34 1xf5 n ASN 73 Cb 0.00 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 1xf5 n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xf5 s MET 75 N 1.97 1.69 -0.49 0.00 -1.94 -0.45 -2.64 119.30 117.44 1xf5 s MET 75 Ca -0.07 -0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1xf5 s MET 75 Cb -0.09 -1.60 0.13 0.00 2.01 0.00 0.00 34.83 35.27 1xf5 s MET 75 CO -0.15 0.41 0.27 -0.80 -0.01 0.00 0.00 175.02 174.74 1xf5 s ASN 76 N -0.41 4.95 -0.27 3.03 0.02 -0.88 -0.77 114.94 120.61 1xf5 s ASN 76 Ca 0.06 -2.55 -0.16 0.00 -1.02 0.00 0.00 52.86 49.19 1xf5 s ASN 76 Cb -0.08 -1.76 -0.03 0.00 0.02 0.00 0.00 41.25 39.39 1xf5 s ASN 76 CO -0.00 -0.39 0.41 -0.63 0.02 0.00 0.00 177.10 176.51 1xf5 s ILE 77 N 0.37 5.15 -0.12 0.60 -1.09 -0.42 -2.07 121.20 123.62 1xf5 s ILE 77 Ca 0.14 0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 59.18 1xf5 s ILE 77 Cb -0.22 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1xf5 s ILE 77 CO -0.04 0.14 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.23 1xf5 s LYS 78 N 2.12 3.29 -0.24 2.79 1.02 -0.65 -0.14 119.74 127.92 1xf5 s LYS 78 Ca 0.16 -0.52 -0.07 0.00 0.02 0.00 0.00 55.97 55.56 1xf5 s LYS 78 Cb -0.16 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1xf5 s LYS 78 CO 0.10 0.43 0.06 -0.06 -0.92 0.00 0.00 175.35 174.95 1xf5 s PHE 79 N -0.15 3.09 0.61 3.18 0.40 0.20 -1.94 117.98 123.37 1xf5 s PHE 79 Ca 0.03 -0.41 0.28 0.00 -0.60 0.00 0.00 56.93 56.23 1xf5 s PHE 79 Cb -0.13 -2.21 1.45 0.00 0.51 0.00 0.00 43.02 42.64 1xf5 s PHE 79 CO 0.03 -0.32 1.85 0.00 0.70 0.00 0.00 175.22 177.48 1xf5 h ALA 80 N 8.06 1.99 0.00 5.36 0.00 -0.79 -2.79 119.26 131.09 1xf5 h ALA 80 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xf5 h ALA 80 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xf5 h ALA 80 CO 0.59 -0.67 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1xf5 n GLY 81 N -1.44 -2.28 3.46 0.00 0.00 0.23 -4.74 105.19 100.41 1xf5 n GLY 81 Ca 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1xf5 n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49