#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypb s LYS 21 N 0.00 4.65 -0.00 2.12 2.20 -1.26 -4.94 119.74 122.50 1ypb s LYS 21 Ca 0.00 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 1ypb s LYS 21 Cb 0.00 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1ypb s LYS 21 CO 0.00 0.16 0.73 0.25 -0.36 0.00 0.00 175.35 176.14 1ypb n THR 22 N 2.37 0.44 -3.80 3.43 -2.24 -1.26 -4.98 114.28 108.24 1ypb n THR 22 Ca 0.02 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1ypb n THR 22 Cb 0.47 0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 69.33 1ypb n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ypb s GLU 23 N -0.47 0.31 -0.53 -0.78 -1.05 -1.26 -1.30 118.70 113.62 1ypb s GLU 23 Ca 0.01 0.20 0.07 0.00 -0.15 0.00 0.00 54.97 55.11 1ypb s GLU 23 Cb 0.01 0.15 0.30 0.00 -0.44 0.00 0.00 34.13 34.15 1ypb s GLU 23 CO 0.00 -0.05 0.78 0.91 0.95 0.00 0.00 175.26 177.86 1ypb n TRP 24 N 2.69 2.57 0.09 4.83 8.01 -0.33 -4.93 117.44 130.36 1ypb n TRP 24 Ca -0.14 -3.95 0.16 0.00 -1.31 0.00 0.00 57.50 52.26 1ypb n TRP 24 Cb 0.58 -0.48 0.68 0.00 -2.01 0.00 0.00 31.31 30.08 1ypb n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1ypb h PRO 25 N 3.50 0.00 0.00 -0.99 0.13 -1.94 -1.57 132.00 131.13 1ypb h PRO 25 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ypb h PRO 25 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1ypb h PRO 25 CO 0.71 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 1ypb n GLU 26 N -4.39 0.06 -0.05 0.86 0.00 -1.26 -2.11 120.64 113.75 1ypb n GLU 26 Ca 0.05 0.43 0.12 0.00 0.00 0.00 0.00 57.16 57.77 1ypb n GLU 26 Cb 0.43 -1.65 0.28 0.00 0.00 0.00 0.00 31.44 30.49 1ypb n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ypb n LEU 27 N -1.78 2.49 -4.72 -1.84 4.77 -0.59 -4.92 117.00 110.41 1ypb n LEU 27 Ca 0.01 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 1ypb n LEU 27 Cb 0.10 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1ypb n LEU 27 CO 0.10 0.46 1.21 -0.69 -1.33 0.00 0.00 177.39 177.14 1ypb s VAL 28 N -1.88 2.61 0.00 4.08 1.01 -0.90 -1.87 120.40 123.45 1ypb s VAL 28 Ca 0.33 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1ypb s VAL 28 Cb 0.20 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1ypb s VAL 28 CO 0.31 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1ypb n GLY 29 N 3.48 0.93 3.91 4.51 0.00 0.72 -4.98 105.19 113.75 1ypb n GLY 29 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1ypb n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypb s LYS 30 N -0.62 3.59 0.76 1.61 -0.14 -0.78 -4.64 119.74 119.52 1ypb s LYS 30 Ca 0.00 0.14 -0.12 0.00 -1.36 0.00 0.00 55.97 54.64 1ypb s LYS 30 Cb 0.00 -2.46 0.05 0.00 -1.68 0.00 0.00 37.83 33.74 1ypb s LYS 30 CO 0.00 -0.07 1.10 0.20 -0.76 0.00 0.00 175.35 175.83 1ypb s GLY 31 N -3.80 1.62 0.12 -3.33 0.00 -1.26 0.31 107.32 100.98 1ypb s GLY 31 Ca 0.46 -0.31 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 1ypb s GLY 31 CO 0.39 0.10 1.77 -2.08 0.00 0.00 0.00 173.10 173.29 1ypb h VAL 32 N -0.92 1.05 -0.39 1.40 2.07 -1.96 -2.25 116.25 115.26 1ypb h VAL 32 Ca -0.46 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1ypb h VAL 32 Cb 1.27 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1ypb h VAL 32 CO 0.62 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 178.24 1ypb h ALA 33 N 1.06 0.34 -0.44 1.67 0.00 -1.94 -0.92 119.26 119.03 1ypb h ALA 33 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ypb h ALA 33 Cb -0.02 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ypb h ALA 33 CO -0.01 -0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.03 1ypb h ALA 34 N 1.35 0.57 -0.31 0.00 0.00 -1.92 -2.88 119.26 116.07 1ypb h ALA 34 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ypb h ALA 34 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ypb h ALA 34 CO -0.34 0.14 0.13 0.00 0.00 0.00 0.00 179.25 179.19 1ypb h ALA 35 N 1.05 0.41 -0.99 0.00 0.00 -1.00 -2.95 119.26 115.78 1ypb h ALA 35 Ca 0.15 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ypb h ALA 35 Cb 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1ypb h ALA 35 CO -0.02 -0.00 0.64 0.87 0.00 0.00 0.00 179.25 180.75 1ypb h LYS 36 N 0.36 1.16 -0.85 0.00 1.57 -1.15 -0.32 116.57 117.34 1ypb h LYS 36 Ca 0.11 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1ypb h LYS 36 Cb 0.17 -0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.16 1ypb h LYS 36 CO -0.01 0.77 0.53 -0.22 -0.57 0.00 0.00 179.45 179.95 1ypb h LYS 37 N 1.19 0.98 0.01 3.15 3.11 -1.33 0.77 116.57 124.45 1ypb h LYS 37 Ca 0.41 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 58.08 1ypb h LYS 37 Cb 0.10 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 31.12 1ypb h LYS 37 CO -0.15 0.65 -0.44 0.28 -2.81 0.00 0.00 179.45 176.98 1ypb h VAL 38 N 1.01 1.50 -0.63 2.00 2.07 -1.32 -3.21 116.25 117.68 1ypb h VAL 38 Ca 0.35 -2.07 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1ypb h VAL 38 Cb 0.08 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 1ypb h VAL 38 CO -0.14 0.58 0.36 0.40 0.02 0.00 0.00 177.57 178.79 1ypb h ILE 39 N -0.33 1.02 0.00 4.57 2.04 -0.82 -1.74 117.51 122.25 1ypb h ILE 39 Ca -0.06 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1ypb h ILE 39 Cb 1.19 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1ypb h ILE 39 CO 0.09 0.13 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1ypb h LEU 40 N 0.70 0.00 0.11 1.44 3.38 -0.94 0.33 115.31 120.34 1ypb h LEU 40 Ca 0.27 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.94 1ypb h LEU 40 Cb 0.10 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.88 1ypb h LEU 40 CO -0.14 0.00 -1.24 1.56 0.09 0.00 0.00 178.44 178.71 1ypb h GLN 41 N 0.00 0.64 0.07 1.13 1.08 -1.32 -2.65 115.11 114.05 1ypb h GLN 41 Ca 0.00 -0.84 -0.28 0.00 -1.45 0.00 0.00 58.65 56.08 1ypb h GLN 41 Cb 0.32 0.27 0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1ypb h GLN 41 CO 0.00 1.38 -1.14 -0.44 -0.95 0.00 0.00 178.83 177.68 1ypb h ASP 42 N 0.28 0.83 -2.51 1.46 3.32 -1.05 -3.40 116.42 115.35 1ypb h ASP 42 Ca -0.19 -0.72 -0.60 0.00 0.02 0.00 0.00 57.03 55.54 1ypb h ASP 42 Cb 1.91 -0.26 -0.39 0.00 0.22 0.00 0.00 39.33 40.81 1ypb h ASP 42 CO 0.24 1.53 -0.89 1.17 -1.72 0.00 0.00 179.24 179.56 1ypb n LYS 43 N -3.79 0.55 -0.16 3.56 4.81 0.11 -5.00 118.16 118.22 1ypb n LYS 43 Ca -0.12 -3.46 0.27 0.00 -0.87 0.00 0.00 58.31 54.13 1ypb n LYS 43 Cb 0.94 -1.80 0.70 0.00 0.02 0.00 0.00 35.03 34.89 1ypb n LYS 43 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ypb h PRO 44 N 5.55 0.04 -0.71 1.64 0.13 -1.68 -1.51 132.00 135.47 1ypb h PRO 44 Ca 0.24 -0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.99 1ypb h PRO 44 Cb 0.87 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.77 1ypb h PRO 44 CO 0.45 0.02 0.31 0.39 -0.23 0.00 0.00 178.00 178.94 1ypb n GLU 45 N -4.30 2.11 -2.16 0.86 1.02 -1.26 -4.97 120.64 111.93 1ypb n GLU 45 Ca 0.18 -3.13 -0.40 0.00 -0.02 0.00 0.00 57.16 53.79 1ypb n GLU 45 Cb 0.90 -2.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1ypb n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ypb s ALA 46 N -3.31 3.33 -0.53 0.62 0.00 -0.57 -4.98 121.76 116.33 1ypb s ALA 46 Ca 0.52 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.45 1ypb s ALA 46 Cb 0.45 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 20.19 1ypb s ALA 46 CO 0.05 -0.65 0.63 -1.14 0.00 0.00 0.00 175.76 174.66 1ypb s GLN 47 N -2.03 3.09 -0.26 0.00 2.00 0.83 -4.99 119.66 118.30 1ypb s GLN 47 Ca 0.53 -1.04 -0.11 0.00 -2.00 0.00 0.00 55.36 52.74 1ypb s GLN 47 Cb -0.37 -4.15 -0.05 0.00 0.80 0.00 0.00 33.01 29.25 1ypb s GLN 47 CO 0.48 -1.30 0.17 0.42 -0.50 0.00 0.00 175.29 174.56 1ypb s ILE 48 N 2.58 5.31 -0.01 -2.34 1.01 -1.26 -1.36 121.20 125.12 1ypb s ILE 48 Ca 0.13 0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.02 1ypb s ILE 48 Cb -0.21 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1ypb s ILE 48 CO 0.10 0.30 -0.21 -0.63 0.00 0.00 0.00 174.94 174.50 1ypb s ILE 49 N 1.39 2.50 -0.14 2.92 1.01 -1.01 -5.02 121.20 122.85 1ypb s ILE 49 Ca 0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1ypb s ILE 49 Cb -0.15 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1ypb s ILE 49 CO 0.07 0.52 -0.11 -0.69 0.00 0.00 0.00 174.94 174.73 1ypb s VAL 50 N -0.72 3.21 0.01 2.92 1.01 -1.26 0.47 120.40 126.03 1ypb s VAL 50 Ca 0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1ypb s VAL 50 Cb -0.10 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1ypb s VAL 50 CO 0.01 0.51 0.06 -0.76 0.00 0.00 0.00 175.10 174.93 1ypb s LEU 51 N 0.43 1.85 0.31 3.92 1.43 -0.39 -4.96 118.68 121.26 1ypb s LEU 51 Ca -0.09 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1ypb s LEU 51 Cb -0.15 0.41 -0.10 0.00 0.03 0.00 0.00 46.19 46.37 1ypb s LEU 51 CO 0.04 -0.31 1.42 -2.16 0.23 0.00 0.00 176.35 175.58 1ypb s PRO 52 N -1.29 4.25 0.43 1.29 0.04 -1.26 -1.06 135.00 137.39 1ypb s PRO 52 Ca -0.14 2.36 -0.26 0.00 0.04 0.00 0.00 61.00 63.00 1ypb s PRO 52 Cb -0.08 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 1ypb s PRO 52 CO 0.00 -0.39 1.41 1.55 0.04 0.00 0.00 177.00 179.61 1ypb n VAL 53 N 1.44 2.63 0.00 -0.36 3.14 0.29 -2.03 118.33 123.44 1ypb n VAL 53 Ca 0.04 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1ypb n VAL 53 Cb 0.40 -1.81 0.00 0.00 -1.06 0.00 0.00 33.84 31.38 1ypb n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ypb n GLY 54 N 0.61 0.56 3.73 7.55 0.00 -1.26 -4.96 105.19 111.42 1ypb n GLY 54 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ypb n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ypb s THR 55 N -2.17 2.41 -0.06 2.61 2.01 -0.86 -4.94 115.64 114.64 1ypb s THR 55 Ca 0.00 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1ypb s THR 55 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1ypb s THR 55 CO 0.00 0.03 1.27 -0.63 -0.69 0.00 0.00 174.62 174.60 1ypb s ILE 56 N 0.77 4.11 0.37 1.82 -1.09 -1.26 -5.03 121.20 120.89 1ypb s ILE 56 Ca 0.68 1.44 0.09 0.00 -2.23 0.00 0.00 60.65 60.62 1ypb s ILE 56 Cb -0.45 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.43 1ypb s ILE 56 CO 0.36 -0.02 -0.06 0.68 -1.23 0.00 0.00 174.94 174.67 1ypb s VAL 57 N 2.51 2.14 0.69 2.92 -7.23 -1.26 -5.15 120.40 115.02 1ypb s VAL 57 Ca 0.58 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1ypb s VAL 57 Cb -0.26 -2.78 0.08 0.00 0.56 0.00 0.00 36.38 33.98 1ypb s VAL 57 CO 0.22 -0.13 0.98 0.42 -0.31 0.00 0.00 175.10 176.29 1ypb s THR 58 N -2.66 2.31 -2.23 5.32 -4.23 -1.26 -5.02 115.64 107.87 1ypb s THR 58 Ca 0.33 -0.40 0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1ypb s THR 58 Cb 0.05 -2.91 0.46 0.00 1.34 0.00 0.00 72.50 71.45 1ypb s THR 58 CO 0.17 0.00 1.70 1.15 -0.54 0.00 0.00 174.62 177.10 1ypb n MET 59 N -2.84 1.36 -1.73 3.99 0.00 -1.26 -4.95 117.12 111.68 1ypb n MET 59 Ca 0.10 -0.78 -0.40 0.00 0.00 0.00 0.00 57.70 56.62 1ypb n MET 59 Cb 0.60 -1.48 0.01 0.00 0.00 0.00 0.00 33.22 32.35 1ypb n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1ypb n GLU 60 N -0.14 2.09 -3.69 3.17 -0.00 -1.26 -4.97 120.64 115.83 1ypb n GLU 60 Ca 0.17 0.74 -0.37 0.00 -0.00 0.00 0.00 57.16 57.70 1ypb n GLU 60 Cb 0.35 -2.50 -0.12 0.00 -0.00 0.00 0.00 31.44 29.17 1ypb n GLU 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ypb s TYR 61 N -1.19 3.16 -0.30 -1.84 5.04 -1.26 -5.01 117.35 115.94 1ypb s TYR 61 Ca 0.61 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 1ypb s TYR 61 Cb -0.48 -2.29 0.08 0.00 0.35 0.00 0.00 41.96 39.62 1ypb s TYR 61 CO 0.58 -0.23 -0.01 1.03 -1.34 0.00 0.00 175.55 175.58 1ypb s ARG 62 N 1.59 1.72 0.63 4.97 1.81 -1.26 -5.00 118.95 123.41 1ypb s ARG 62 Ca 0.06 -1.60 0.39 0.00 -1.72 0.00 0.00 55.73 52.87 1ypb s ARG 62 Cb -0.15 -3.00 2.16 0.00 -0.45 0.00 0.00 34.95 33.51 1ypb s ARG 62 CO 0.07 -0.79 2.31 0.97 -0.68 0.00 0.00 175.30 177.18 1ypb h ILE 63 N 6.66 0.20 0.00 1.52 2.10 -1.94 -2.04 117.51 124.01 1ypb h ILE 63 Ca -0.11 -0.05 -0.03 0.00 1.08 0.00 0.00 64.86 65.75 1ypb h ILE 63 Cb 1.03 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1ypb h ILE 63 CO 0.49 0.01 -0.46 -2.24 -1.08 0.00 0.00 178.15 174.87 1ypb h ASP 64 N 0.00 0.00 -3.12 2.19 2.03 -1.94 -3.44 116.42 112.13 1ypb h ASP 64 Ca -0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 1ypb h ASP 64 Cb 0.04 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.49 1ypb h ASP 64 CO 0.00 0.14 -0.26 -0.60 -1.03 0.00 0.00 179.24 177.49 1ypb s ARG 65 N -3.18 3.73 -0.22 4.15 3.52 -0.78 -0.12 118.95 126.05 1ypb s ARG 65 Ca 0.04 0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 55.74 1ypb s ARG 65 Cb 0.07 -2.97 0.07 0.00 -1.56 0.00 0.00 34.95 30.56 1ypb s ARG 65 CO 0.73 0.54 0.07 0.08 -0.81 0.00 0.00 175.30 175.91 1ypb s VAL 66 N -1.45 0.33 0.01 7.11 1.01 -0.47 -0.88 120.40 126.07 1ypb s VAL 66 Ca 0.34 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1ypb s VAL 66 Cb -0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1ypb s VAL 66 CO 0.19 -0.36 0.71 -0.13 0.00 0.00 0.00 175.10 175.51 1ypb s ARG 67 N 1.93 4.44 -0.31 2.72 0.52 -1.26 -2.39 118.95 124.61 1ypb s ARG 67 Ca 0.02 0.95 -0.06 0.00 -0.52 0.00 0.00 55.73 56.12 1ypb s ARG 67 Cb -0.17 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 31.95 1ypb s ARG 67 CO -0.15 0.27 0.07 -0.51 0.02 0.00 0.00 175.30 175.00 1ypb s LEU 68 N 0.06 3.95 -0.32 2.53 1.43 0.18 -4.39 118.68 122.12 1ypb s LEU 68 Ca 0.36 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 1ypb s LEU 68 Cb -0.19 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1ypb s LEU 68 CO 0.21 -0.24 0.48 -0.36 0.23 0.00 0.00 176.35 176.67 1ypb s PHE 69 N 1.43 3.21 0.17 0.29 0.08 -1.26 -1.26 117.98 120.65 1ypb s PHE 69 Ca 0.00 0.29 0.09 0.00 0.12 0.00 0.00 56.93 57.43 1ypb s PHE 69 Cb -0.18 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 1ypb s PHE 69 CO 0.02 -0.44 -0.11 0.14 -0.10 0.00 0.00 175.22 174.73 1ypb s VAL 70 N 2.31 3.13 0.65 -0.44 -7.23 -0.23 -0.01 120.40 118.58 1ypb s VAL 70 Ca 0.18 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1ypb s VAL 70 Cb -0.16 -2.54 0.14 0.00 0.56 0.00 0.00 36.38 34.38 1ypb s VAL 70 CO 0.12 -0.09 0.89 -0.90 -0.31 0.00 0.00 175.10 174.81 1ypb n ASP 71 N 0.13 0.87 0.00 4.85 5.68 -0.17 -0.55 116.55 127.35 1ypb n ASP 71 Ca -0.11 -1.81 0.05 0.00 -0.50 0.00 0.00 54.79 52.42 1ypb n ASP 71 Cb 0.55 -0.61 0.25 0.00 -1.14 0.00 0.00 41.12 40.17 1ypb n ASP 71 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ypb n LYS 72 N -2.72 0.05 -0.22 0.11 4.76 -1.26 -0.46 118.16 118.43 1ypb n LYS 72 Ca 0.14 0.27 0.12 0.00 -2.87 0.00 0.00 58.31 55.96 1ypb n LYS 72 Cb 0.48 -1.50 0.24 0.00 -1.84 0.00 0.00 35.03 32.42 1ypb n LYS 72 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ypb n LEU 73 N -1.44 3.42 -2.05 -0.35 4.77 -1.26 -4.93 117.00 115.17 1ypb n LEU 73 Ca 0.03 -1.52 -0.16 0.00 -0.03 0.00 0.00 56.01 54.34 1ypb n LEU 73 Cb 0.12 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1ypb n LEU 73 CO 0.10 0.76 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.19 1ypb n ASP 74 N 1.44 -4.72 -4.72 -1.43 2.03 0.40 -5.02 116.55 104.53 1ypb n ASP 74 Ca 0.20 -0.14 -0.30 0.00 0.52 0.00 0.00 54.79 55.06 1ypb n ASP 74 Cb 0.59 -3.67 -0.07 0.00 -0.72 0.00 0.00 41.12 37.25 1ypb n ASP 74 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ypb s ASN 75 N -2.65 5.22 0.03 1.67 0.01 -1.25 -3.78 114.94 114.19 1ypb s ASN 75 Ca 0.15 -0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 1ypb s ASN 75 Cb -0.07 -1.31 -0.09 0.00 0.41 0.00 0.00 41.25 40.20 1ypb s ASN 75 CO 0.18 0.18 1.95 -0.63 -1.51 0.00 0.00 177.10 177.27 1ypb s ILE 76 N -1.33 3.04 -0.65 0.60 -1.09 0.15 -1.00 121.20 120.93 1ypb s ILE 76 Ca 0.27 0.06 0.21 0.00 -2.23 0.00 0.00 60.65 58.96 1ypb s ILE 76 Cb -0.12 -3.04 -0.26 0.00 -1.58 0.00 0.00 42.46 37.46 1ypb s ILE 76 CO 0.19 -0.01 0.73 0.00 -1.23 0.00 0.00 174.94 174.63 1ypb n ALA 77 N 7.50 4.04 -2.42 9.38 0.00 0.99 -0.20 120.51 139.79 1ypb n ALA 77 Ca 0.20 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 1ypb n ALA 77 Cb 0.41 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1ypb n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ypb s GLN 78 N -3.13 0.56 -0.03 0.00 -0.21 -1.23 -4.96 119.66 110.65 1ypb s GLN 78 Ca 0.02 -0.99 -0.29 0.00 0.02 0.00 0.00 55.36 54.12 1ypb s GLN 78 Cb 0.15 0.20 -0.08 0.00 1.00 0.00 0.00 33.01 34.28 1ypb s GLN 78 CO 0.86 -0.11 2.04 0.08 -2.12 0.00 0.00 175.29 176.04 1ypb s VAL 79 N -3.17 3.01 0.27 1.09 1.01 -1.26 -4.71 120.40 116.65 1ypb s VAL 79 Ca -0.00 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1ypb s VAL 79 Cb 0.02 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 1ypb s VAL 79 CO -0.07 -0.00 1.32 -2.84 0.00 0.00 0.00 175.10 173.50 1ypb s PRO 80 N 4.98 4.37 0.05 2.72 0.02 -1.26 -4.90 135.00 140.98 1ypb s PRO 80 Ca 0.92 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.94 1ypb s PRO 80 Cb -0.40 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.02 1ypb s PRO 80 CO 0.40 -0.22 0.33 1.03 -0.33 0.00 0.00 177.00 178.21 1ypb s ARG 81 N -0.98 0.85 0.30 5.54 0.52 -1.26 -1.19 118.95 122.72 1ypb s ARG 81 Ca 0.53 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 1ypb s ARG 81 Cb -0.38 0.37 -0.10 0.00 0.52 0.00 0.00 34.95 35.35 1ypb s ARG 81 CO 0.46 -0.28 1.29 0.08 0.02 0.00 0.00 175.30 176.86 1ypb s VAL 82 N -2.61 2.88 0.00 3.52 1.01 -0.42 -3.98 120.40 120.81 1ypb s VAL 82 Ca -0.05 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1ypb s VAL 82 Cb -0.01 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1ypb s VAL 82 CO -0.04 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.86