#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqb n GLY 12 N 0.00 2.28 0.00 0.46 0.00 -1.26 -2.97 105.19 103.71 1yqb n GLY 12 Ca 0.00 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.72 1yqb n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yqb n LEU 13 N 0.00 0.00 -4.57 0.99 4.77 -1.26 -4.89 117.00 112.05 1yqb n LEU 13 Ca 0.00 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 55.96 1yqb n LEU 13 Cb 0.00 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 1yqb n LEU 13 CO 0.00 -0.00 -0.25 -0.69 -1.33 0.00 0.00 177.39 175.11 1yqb s VAL 14 N -2.66 4.67 0.83 4.08 1.01 -1.16 -5.10 120.40 122.07 1yqb s VAL 14 Ca 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1yqb s VAL 14 Cb 0.20 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.53 1yqb s VAL 14 CO 0.47 0.40 1.09 -2.16 0.00 0.00 0.00 175.10 174.91 1yqb s PRO 15 N 0.90 1.80 0.21 2.72 0.04 -1.26 -3.36 135.00 136.05 1yqb s PRO 15 Ca 0.04 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1yqb s PRO 15 Cb -0.14 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.71 1yqb s PRO 15 CO 0.03 -1.93 1.51 0.07 0.04 0.00 0.00 177.00 176.71 1yqb h ARG 16 N -1.34 0.38 0.00 4.56 0.11 -1.99 -3.47 114.38 112.63 1yqb h ARG 16 Ca -0.46 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.36 1yqb h ARG 16 Cb 1.25 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1yqb h ARG 16 CO 0.52 0.88 0.00 0.41 0.10 0.00 0.00 179.97 181.88 1yqb n GLY 17 N 0.33 4.63 3.25 0.08 0.00 -1.26 -5.18 105.19 107.04 1yqb n GLY 17 Ca -0.03 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 1yqb n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yqb s SER 18 N -0.68 -0.30 0.46 1.61 0.15 -1.26 -5.04 113.70 108.64 1yqb s SER 18 Ca 0.00 0.47 0.14 0.00 0.70 0.00 0.00 55.95 57.26 1yqb s SER 18 Cb 0.00 0.56 1.09 0.00 -1.71 0.00 0.00 66.02 65.96 1yqb s SER 18 CO 0.00 -0.25 2.05 1.55 1.20 0.00 0.00 173.24 177.79 1yqb h PRO 19 N 4.89 0.28 0.00 5.44 0.13 -2.03 -2.92 132.00 137.79 1yqb h PRO 19 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1yqb h PRO 19 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1yqb h PRO 19 CO 0.33 0.19 0.00 0.72 -0.23 0.00 0.00 178.00 179.01 1yqb n HIS 20 N -4.48 0.03 -3.78 1.56 8.25 -1.26 -4.66 115.22 110.87 1yqb n HIS 20 Ca 0.04 0.01 -0.36 0.00 -0.26 0.00 0.00 57.72 57.15 1yqb n HIS 20 Cb 0.23 -0.51 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 1yqb n HIS 20 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1yqb s LEU 21 N -3.04 4.85 0.35 2.41 2.96 -1.11 -1.28 118.68 123.82 1yqb s LEU 21 Ca 0.13 -1.72 0.08 0.00 -0.22 0.00 0.00 54.13 52.39 1yqb s LEU 21 Cb 0.17 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1yqb s LEU 21 CO 0.49 -0.46 0.25 0.27 -1.32 0.00 0.00 176.35 175.58 1yqb s ILE 22 N 1.22 3.25 -0.12 6.68 -4.36 -0.11 -4.77 121.20 122.99 1yqb s ILE 22 Ca 0.04 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1yqb s ILE 22 Cb -0.22 -3.10 0.01 0.00 1.25 0.00 0.00 42.46 40.41 1yqb s ILE 22 CO -0.02 -0.15 -0.18 -0.75 0.24 0.00 0.00 174.94 174.07 1yqb s LYS 23 N -3.96 2.58 0.01 0.37 2.20 -1.26 -1.01 119.74 118.67 1yqb s LYS 23 Ca 0.41 -0.70 0.08 0.00 -0.36 0.00 0.00 55.97 55.40 1yqb s LYS 23 Cb -0.04 -2.12 -0.02 0.00 -1.51 0.00 0.00 37.83 34.13 1yqb s LYS 23 CO 0.25 -0.02 -0.25 0.14 -0.36 0.00 0.00 175.35 175.11 1yqb s VAL 24 N 0.87 1.99 -0.19 4.02 -7.23 -0.39 0.25 120.40 119.71 1yqb s VAL 24 Ca -0.08 -1.20 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 1yqb s VAL 24 Cb -0.15 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1yqb s VAL 24 CO -0.01 0.44 0.48 -0.89 -0.31 0.00 0.00 175.10 174.82 1yqb s THR 25 N -0.69 5.14 -0.32 5.32 2.01 0.17 -1.11 115.64 126.17 1yqb s THR 25 Ca 0.10 0.89 -0.12 0.00 0.31 0.00 0.00 61.69 62.87 1yqb s THR 25 Cb -0.10 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1yqb s THR 25 CO 0.00 0.21 0.21 -0.69 -0.69 0.00 0.00 174.62 173.67 1yqb s VAL 26 N 1.44 5.14 -0.18 3.82 1.01 0.57 0.36 120.40 132.56 1yqb s VAL 26 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1yqb s VAL 26 Cb -0.15 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1yqb s VAL 26 CO 0.09 0.07 -0.12 -0.75 0.00 0.00 0.00 175.10 174.40 1yqb s LYS 27 N 1.71 3.27 0.51 2.72 2.36 0.06 -0.62 119.74 129.75 1yqb s LYS 27 Ca 0.06 -0.71 0.08 0.00 -2.55 0.00 0.00 55.97 52.85 1yqb s LYS 27 Cb -0.17 -2.75 0.04 0.00 -1.05 0.00 0.00 37.83 33.91 1yqb s LYS 27 CO 0.10 -0.05 0.58 0.95 1.55 0.00 0.00 175.35 178.47 1yqb s THR 28 N 1.02 2.24 0.30 3.43 -4.23 0.33 -1.00 115.64 117.73 1yqb s THR 28 Ca -0.01 -1.19 0.28 0.00 -1.18 0.00 0.00 61.69 59.59 1yqb s THR 28 Cb -0.15 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.55 1yqb s THR 28 CO -0.02 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.26 1yqb h PRO 29 N 0.56 0.00 0.00 3.99 0.11 -2.00 -3.16 132.00 131.49 1yqb h PRO 29 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1yqb h PRO 29 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1yqb h PRO 29 CO 0.49 0.00 -0.86 1.63 -0.21 0.00 0.00 178.00 179.05 1yqb n LYS 30 N -2.60 0.96 -4.24 1.05 4.01 -1.26 -5.08 118.16 110.99 1yqb n LYS 30 Ca -0.02 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.64 1yqb n LYS 30 Cb 0.19 -0.93 -0.10 0.00 -0.51 0.00 0.00 35.03 33.68 1yqb n LYS 30 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1yqb s ASP 31 N -1.84 1.69 -0.13 4.39 1.01 -1.20 -5.13 116.67 115.47 1yqb s ASP 31 Ca 0.00 -1.02 -0.04 0.00 0.71 0.00 0.00 52.55 52.20 1yqb s ASP 31 Cb 0.00 0.01 0.05 0.00 1.01 0.00 0.00 42.92 43.99 1yqb s ASP 31 CO 0.00 -0.36 0.09 -0.75 0.21 0.00 0.00 175.17 174.36 1yqb s LYS 32 N -3.77 0.02 -0.03 8.23 2.20 -1.26 -0.51 119.74 124.62 1yqb s LYS 32 Ca 0.17 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1yqb s LYS 32 Cb 0.03 -1.32 0.02 0.00 -1.51 0.00 0.00 37.83 35.05 1yqb s LYS 32 CO 0.00 -0.55 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.19 1yqb s GLU 33 N 2.17 0.73 0.17 4.03 0.41 0.21 -4.97 118.70 121.44 1yqb s GLU 33 Ca 0.03 -0.13 -0.18 0.00 -0.41 0.00 0.00 54.97 54.28 1yqb s GLU 33 Cb -0.15 -0.73 -0.08 0.00 -1.78 0.00 0.00 34.13 31.40 1yqb s GLU 33 CO -0.07 -0.02 0.64 -0.51 -0.49 0.00 0.00 175.26 174.81 1yqb s ASP 34 N 0.63 6.99 -0.12 -0.19 1.01 -1.26 -0.32 116.67 123.41 1yqb s ASP 34 Ca -0.08 1.29 0.00 0.00 0.71 0.00 0.00 52.55 54.47 1yqb s ASP 34 Cb -0.12 -2.37 0.02 0.00 1.01 0.00 0.00 42.92 41.47 1yqb s ASP 34 CO 0.00 0.10 -0.11 -0.36 0.21 0.00 0.00 175.17 175.01 1yqb s PHE 35 N -1.43 1.75 -0.03 4.23 0.08 -0.26 -4.95 117.98 117.37 1yqb s PHE 35 Ca 0.39 -0.90 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 1yqb s PHE 35 Cb -0.17 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1yqb s PHE 35 CO 0.20 -0.55 1.02 -1.12 -0.10 0.00 0.00 175.22 174.67 1yqb s SER 36 N 1.51 7.29 0.06 1.36 0.01 -1.26 -1.26 113.70 121.41 1yqb s SER 36 Ca 0.03 1.66 -0.04 0.00 1.31 0.00 0.00 55.95 58.91 1yqb s SER 36 Cb -0.13 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1yqb s SER 36 CO -0.08 -0.35 0.07 0.68 0.41 0.00 0.00 173.24 173.97 1yqb s VAL 37 N 1.37 0.17 0.37 3.43 -7.23 -0.18 -5.01 120.40 113.34 1yqb s VAL 37 Ca 0.52 -1.43 -0.23 0.00 -1.81 0.00 0.00 61.98 59.03 1yqb s VAL 37 Cb -0.21 -1.29 -0.10 0.00 0.56 0.00 0.00 36.38 35.34 1yqb s VAL 37 CO 0.25 -0.79 0.94 0.42 -0.31 0.00 0.00 175.10 175.61 1yqb s THR 38 N -3.53 4.32 0.43 5.32 -4.23 -1.26 -0.93 115.64 115.75 1yqb s THR 38 Ca 0.03 1.63 0.19 0.00 -1.18 0.00 0.00 61.69 62.36 1yqb s THR 38 Cb 0.04 -3.80 0.21 0.00 1.34 0.00 0.00 72.50 70.30 1yqb s THR 38 CO -0.09 -0.09 2.01 -2.24 -0.54 0.00 0.00 174.62 173.67 1yqb h ASP 39 N 2.53 0.00 -0.22 3.99 2.03 -1.49 -2.22 116.42 121.05 1yqb h ASP 39 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1yqb h ASP 39 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1yqb h ASP 39 CO 0.63 0.18 0.00 0.35 -1.03 0.00 0.00 179.24 179.37 1yqb n THR 40 N -4.05 0.29 -1.75 1.15 -2.24 -1.26 -2.36 114.28 104.05 1yqb n THR 40 Ca -0.02 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1yqb n THR 40 Cb 0.26 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1yqb n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yqb s THR 42 N -0.59 3.66 0.22 0.00 -4.23 -1.26 -0.79 115.64 112.64 1yqb s THR 42 Ca 0.59 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 61.03 1yqb s THR 42 Cb -0.50 -3.46 0.17 0.00 1.34 0.00 0.00 72.50 70.05 1yqb s THR 42 CO 0.56 -0.48 1.85 0.40 -0.54 0.00 0.00 174.62 176.42 1yqb h ILE 43 N -0.19 1.08 -0.76 2.99 1.08 -0.42 0.14 117.51 121.43 1yqb h ILE 43 Ca -0.45 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 1yqb h ILE 43 Cb 1.26 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1yqb h ILE 43 CO 0.61 0.16 0.30 -0.61 -0.69 0.00 0.00 178.15 177.92 1yqb h GLN 44 N 0.90 1.13 -0.35 2.37 4.15 -1.41 0.21 115.11 122.11 1yqb h GLN 44 Ca 0.31 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 1yqb h GLN 44 Cb 0.06 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1yqb h GLN 44 CO -0.13 0.92 -0.29 1.96 -1.93 0.00 0.00 178.83 179.36 1yqb h GLN 45 N 1.10 0.81 -0.87 1.69 4.20 -1.71 -1.73 115.11 118.62 1yqb h GLN 45 Ca 0.25 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1yqb h GLN 45 Cb 0.21 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1yqb h GLN 45 CO -0.02 1.04 0.55 1.25 -0.67 0.00 0.00 178.83 180.98 1yqb h LEU 46 N 0.60 1.02 -1.10 1.46 5.85 -0.21 -1.49 115.31 121.43 1yqb h LEU 46 Ca 0.06 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1yqb h LEU 46 Cb 0.87 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1yqb h LEU 46 CO 0.08 0.76 0.61 0.11 -0.34 0.00 0.00 178.44 179.66 1yqb h LYS 47 N 1.19 1.13 -0.39 1.25 1.57 -0.32 0.10 116.57 121.10 1yqb h LYS 47 Ca 0.31 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1yqb h LYS 47 Cb -0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.95 1yqb h LYS 47 CO -0.06 0.75 0.02 1.49 -0.57 0.00 0.00 179.45 181.07 1yqb h GLU 48 N 1.16 0.68 -0.47 3.15 4.57 -0.87 0.69 114.58 123.50 1yqb h GLU 48 Ca 0.37 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1yqb h GLU 48 Cb 0.03 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1yqb h GLU 48 CO -0.12 0.76 0.23 0.93 -1.18 0.00 0.00 179.01 179.64 1yqb h GLU 49 N 0.51 0.68 -0.79 1.92 4.39 -0.45 -2.11 114.58 118.72 1yqb h GLU 49 Ca 0.11 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1yqb h GLU 49 Cb 0.45 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1yqb h GLU 49 CO 0.02 0.57 0.43 0.82 -1.16 0.00 0.00 179.01 179.68 1yqb h ILE 50 N 0.62 1.24 -1.00 3.13 2.04 -0.68 -1.20 117.51 121.65 1yqb h ILE 50 Ca 0.16 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1yqb h ILE 50 Cb 0.11 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 1yqb h ILE 50 CO -0.02 0.26 0.65 0.28 0.00 0.00 0.00 178.15 179.32 1yqb h SER 51 N 1.09 1.06 0.56 1.72 0.02 -0.54 -0.28 113.55 117.19 1yqb h SER 51 Ca 0.28 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1yqb h SER 51 Cb 0.04 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1yqb h SER 51 CO -0.04 0.69 -0.63 1.56 -1.14 0.00 0.00 176.83 177.26 1yqb h GLN 52 N 1.21 0.07 0.01 3.45 1.08 -1.04 0.91 115.11 120.79 1yqb h GLN 52 Ca 0.42 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.53 1yqb h GLN 52 Cb 0.11 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1yqb h GLN 52 CO -0.15 0.68 -0.17 -0.09 -0.95 0.00 0.00 178.83 178.15 1yqb h ARG 53 N 0.05 0.10 0.00 1.46 9.65 -0.66 -3.34 114.38 121.65 1yqb h ARG 53 Ca -0.01 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1yqb h ARG 53 Cb 1.13 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1yqb h ARG 53 CO 0.09 0.90 -0.42 0.74 2.80 0.00 0.00 179.97 184.09 1yqb h PHE 54 N -0.64 0.00 -5.12 2.20 0.04 -1.14 -3.48 116.94 108.79 1yqb h PHE 54 Ca -0.02 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 1yqb h PHE 54 Cb 0.97 0.00 0.11 0.00 2.20 0.00 0.00 35.95 39.23 1yqb h PHE 54 CO 0.20 0.00 -0.49 1.63 -0.60 0.00 0.00 178.31 179.05 1yqb n LYS 55 N -2.19 -1.69 -4.28 1.51 4.76 0.25 -5.06 118.16 111.45 1yqb n LYS 55 Ca 0.04 0.98 -0.15 0.00 -2.87 0.00 0.00 58.31 56.30 1yqb n LYS 55 Cb 0.44 -5.28 -0.10 0.00 -1.84 0.00 0.00 35.03 28.24 1yqb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1yqb s ALA 56 N -3.22 1.58 0.11 7.82 0.00 -0.78 -5.05 121.76 122.22 1yqb s ALA 56 Ca 0.26 -1.66 -0.16 0.00 0.00 0.00 0.00 51.96 50.41 1yqb s ALA 56 Cb -0.03 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 1yqb s ALA 56 CO 0.65 -0.25 0.55 -1.58 0.00 0.00 0.00 175.76 175.12 1yqb s HIS 57 N -3.50 3.68 0.53 0.00 2.46 -1.26 -4.54 115.29 112.65 1yqb s HIS 57 Ca 0.25 1.12 0.28 0.00 0.47 0.00 0.00 55.06 57.18 1yqb s HIS 57 Cb 0.05 -2.40 1.42 0.00 -0.13 0.00 0.00 32.58 31.52 1yqb s HIS 57 CO 0.06 0.49 1.92 -1.35 -2.47 0.00 0.00 174.74 173.39 1yqb h PRO 58 N 3.94 0.03 0.00 2.88 0.11 -1.96 -1.47 132.00 135.54 1yqb h PRO 58 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yqb h PRO 58 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1yqb h PRO 58 CO 0.65 0.02 0.00 -0.44 -0.21 0.00 0.00 178.00 178.02 1yqb h ASP 59 N 0.04 0.00 0.85 -2.05 3.32 -1.97 -1.28 116.42 115.33 1yqb h ASP 59 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1yqb h ASP 59 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1yqb h ASP 59 CO -0.02 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.06 1yqb h GLN 60 N 0.00 0.00 -5.48 3.56 4.20 -1.58 -3.47 115.11 112.34 1yqb h GLN 60 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1yqb h GLN 60 Cb 0.39 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.07 1yqb h GLN 60 CO 0.00 0.00 -0.30 -0.51 -0.67 0.00 0.00 178.83 177.35 1yqb s LEU 61 N -5.56 4.22 -0.15 1.46 1.43 -0.49 -0.51 118.68 119.09 1yqb s LEU 61 Ca 0.02 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1yqb s LEU 61 Cb 0.09 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1yqb s LEU 61 CO 0.48 0.06 -0.13 -0.69 0.23 0.00 0.00 176.35 176.30 1yqb s VAL 62 N 0.64 1.49 -0.09 -1.59 1.01 0.20 -4.99 120.40 117.07 1yqb s VAL 62 Ca 0.17 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1yqb s VAL 62 Cb -0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1yqb s VAL 62 CO 0.05 0.41 -0.03 -0.76 0.00 0.00 0.00 175.10 174.77 1yqb s LEU 63 N 1.51 3.37 -0.03 3.92 1.43 -1.26 -1.00 118.68 126.62 1yqb s LEU 63 Ca 0.04 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1yqb s LEU 63 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1yqb s LEU 63 CO -0.10 0.34 -0.08 -0.63 0.23 0.00 0.00 176.35 176.10 1yqb s ILE 64 N -0.64 0.74 -0.09 -0.59 1.01 0.06 0.08 121.20 121.77 1yqb s ILE 64 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1yqb s ILE 64 Cb -0.12 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.70 1yqb s ILE 64 CO 0.02 0.24 0.23 0.12 0.00 0.00 0.00 174.94 175.55 1yqb s PHE 65 N 0.29 -0.26 -1.30 3.97 5.36 -0.64 -1.05 117.98 124.34 1yqb s PHE 65 Ca -0.04 0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 56.51 1yqb s PHE 65 Cb -0.09 0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1yqb s PHE 65 CO 0.01 -0.12 0.30 0.00 -1.46 0.00 0.00 175.22 173.94 1yqb n ALA 66 N 2.95 -0.90 -0.97 11.12 0.00 -1.26 -1.38 120.51 130.06 1yqb n ALA 66 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1yqb n ALA 66 Cb 0.58 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1yqb n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yqb n GLY 67 N -1.10 0.42 3.52 0.00 0.00 -1.26 -5.01 105.19 101.75 1yqb n GLY 67 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1yqb n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yqb s LYS 68 N -0.55 3.23 -0.02 1.61 1.02 -0.48 -5.08 119.74 119.47 1yqb s LYS 68 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1yqb s LYS 68 Cb 0.00 -2.74 -0.06 0.00 -0.52 0.00 0.00 37.83 34.52 1yqb s LYS 68 CO 0.00 0.43 1.54 0.42 -0.92 0.00 0.00 175.35 176.82 1yqb s ILE 69 N -0.16 3.57 0.30 2.17 1.01 -1.26 -1.62 121.20 125.20 1yqb s ILE 69 Ca 0.02 0.86 -0.27 0.00 0.00 0.00 0.00 60.65 61.26 1yqb s ILE 69 Cb -0.13 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.69 1yqb s ILE 69 CO 0.03 -0.04 0.93 -0.76 0.00 0.00 0.00 174.94 175.10 1yqb s LEU 70 N 3.16 4.42 -0.11 2.97 1.43 0.11 -4.97 118.68 125.69 1yqb s LEU 70 Ca 0.69 1.84 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1yqb s LEU 70 Cb -0.33 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 1yqb s LEU 70 CO 0.28 -0.00 -0.01 -0.54 0.23 0.00 0.00 176.35 176.30 1yqb s LYS 71 N -1.82 3.20 0.24 1.70 1.02 -1.26 -4.74 119.74 118.08 1yqb s LYS 71 Ca 0.47 -0.45 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 1yqb s LYS 71 Cb -0.20 -2.83 0.31 0.00 -0.52 0.00 0.00 37.83 34.59 1yqb s LYS 71 CO 0.26 0.56 1.57 -0.44 -0.92 0.00 0.00 175.35 176.37 1yqb h ASP 72 N 5.66 -1.12 0.65 2.83 3.32 -1.96 -1.79 116.42 124.00 1yqb h ASP 72 Ca -0.45 0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1yqb h ASP 72 Cb 1.19 0.65 0.00 0.00 0.22 0.00 0.00 39.33 41.38 1yqb h ASP 72 CO 0.57 -0.30 0.00 -0.81 -1.72 0.00 0.00 179.24 176.98 1yqb n PRO 73 N -5.53 0.13 -2.58 3.56 -0.04 -1.26 -1.18 135.00 128.11 1yqb n PRO 73 Ca 0.12 0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.62 1yqb n PRO 73 Cb 0.43 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1yqb n PRO 73 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yqb s ASP 74 N -3.83 6.70 0.46 3.54 1.01 -0.67 -4.75 116.67 119.13 1yqb s ASP 74 Ca 0.05 1.54 -0.05 0.00 0.71 0.00 0.00 52.55 54.81 1yqb s ASP 74 Cb 0.09 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1yqb s ASP 74 CO 0.35 -0.50 0.76 -0.94 0.21 0.00 0.00 175.17 175.05 1yqb s SER 75 N -2.82 6.27 0.21 0.27 1.04 -1.26 -0.24 113.70 117.16 1yqb s SER 75 Ca 0.59 0.88 -0.10 0.00 0.48 0.00 0.00 55.95 57.80 1yqb s SER 75 Cb -0.10 -2.22 0.27 0.00 0.10 0.00 0.00 66.02 64.07 1yqb s SER 75 CO 0.26 -0.54 1.75 -0.07 0.98 0.00 0.00 173.24 175.62 1yqb h LEU 76 N 0.30 0.24 -0.16 2.42 3.38 -1.07 -2.29 115.31 118.13 1yqb h LEU 76 Ca -0.47 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1yqb h LEU 76 Cb 1.21 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1yqb h LEU 76 CO 0.62 0.14 -0.10 0.00 0.09 0.00 0.00 178.44 179.19 1yqb h ALA 77 N 1.41 0.03 -0.67 1.53 0.00 -1.64 -1.26 119.26 118.66 1yqb h ALA 77 Ca 0.30 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.41 1yqb h ALA 77 Cb 0.37 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1yqb h ALA 77 CO -0.30 -0.54 0.45 1.96 0.00 0.00 0.00 179.25 180.82 1yqb h GLN 78 N -0.10 0.33 0.00 0.00 4.20 -1.80 -0.52 115.11 117.21 1yqb h GLN 78 Ca 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1yqb h GLN 78 Cb 0.24 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1yqb h GLN 78 CO -0.22 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 1yqb n GLY 80 N 1.01 0.67 3.68 0.00 0.00 -0.20 -4.93 105.19 105.42 1yqb n GLY 80 Ca 0.05 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1yqb n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yqb s VAL 81 N -2.00 4.70 0.32 1.61 1.01 -0.54 -5.01 120.40 120.50 1yqb s VAL 81 Ca 0.00 1.99 0.05 0.00 0.00 0.00 0.00 61.98 64.02 1yqb s VAL 81 Cb 0.00 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1yqb s VAL 81 CO 0.00 -0.04 0.00 -0.13 0.00 0.00 0.00 175.10 174.93 1yqb s ARG 82 N 2.35 1.66 -0.13 2.72 0.52 -1.26 -4.22 118.95 120.59 1yqb s ARG 82 Ca 0.48 -1.89 -0.40 0.00 -0.52 0.00 0.00 55.73 53.40 1yqb s ARG 82 Cb -0.18 -1.09 -0.17 0.00 0.52 0.00 0.00 34.95 34.02 1yqb s ARG 82 CO 0.15 -0.08 1.45 -3.47 0.02 0.00 0.00 175.30 173.38 1yqb n ASP 83 N -0.69 1.51 0.00 0.23 2.03 -1.26 -1.66 116.55 116.72 1yqb n ASP 83 Ca -0.04 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1yqb n ASP 83 Cb 0.65 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1yqb n ASP 83 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yqb n GLY 84 N 3.06 0.96 3.96 0.27 0.00 0.14 -4.96 105.19 108.62 1yqb n GLY 84 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1yqb n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yqb s LEU 85 N 0.00 2.97 -0.14 0.99 1.43 -0.66 -4.81 118.68 118.45 1yqb s LEU 85 Ca 0.00 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1yqb s LEU 85 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1yqb s LEU 85 CO 0.00 -1.72 -0.19 -0.89 0.23 0.00 0.00 176.35 173.78 1yqb s THR 86 N -3.17 2.39 -0.13 5.49 2.01 -1.26 -0.65 115.64 120.32 1yqb s THR 86 Ca 0.63 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1yqb s THR 86 Cb -0.08 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1yqb s THR 86 CO 0.44 0.54 0.01 -0.69 -0.69 0.00 0.00 174.62 174.22 1yqb s VAL 87 N 0.66 4.33 0.11 3.82 1.01 0.16 -4.87 120.40 125.61 1yqb s VAL 87 Ca -0.10 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1yqb s VAL 87 Cb -0.16 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1yqb s VAL 87 CO 0.02 0.54 0.74 -1.00 0.00 0.00 0.00 175.10 175.40 1yqb s HIS 88 N -0.22 3.84 -0.09 5.22 3.76 -0.22 -0.76 115.29 126.82 1yqb s HIS 88 Ca 0.06 1.52 0.02 0.00 -0.15 0.00 0.00 55.06 56.51 1yqb s HIS 88 Cb -0.12 -2.74 0.01 0.00 1.11 0.00 0.00 32.58 30.84 1yqb s HIS 88 CO 0.02 0.46 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.05 1yqb s LEU 89 N -0.82 1.71 -0.17 0.89 2.96 -0.17 -0.76 118.68 122.32 1yqb s LEU 89 Ca 0.35 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1yqb s LEU 89 Cb -0.22 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1yqb s LEU 89 CO 0.24 0.04 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.56 1yqb s VAL 90 N 0.78 3.65 -0.41 1.68 1.01 -0.17 -4.18 120.40 122.75 1yqb s VAL 90 Ca -0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1yqb s VAL 90 Cb -0.16 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1yqb s VAL 90 CO 0.02 0.48 0.26 -0.63 0.00 0.00 0.00 175.10 175.23 1yqb s ILE 91 N 0.62 4.59 0.10 2.22 1.01 -1.26 -0.63 121.20 127.85 1yqb s ILE 91 Ca -0.03 -1.10 -0.31 0.00 0.00 0.00 0.00 60.65 59.21 1yqb s ILE 91 Cb -0.15 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1yqb s ILE 91 CO 0.03 -0.40 1.61 -0.54 0.00 0.00 0.00 174.94 175.64 1yqb s LYS 92 N 1.53 4.21 0.17 2.79 1.02 0.33 -4.95 119.74 124.84 1yqb s LYS 92 Ca 0.03 2.33 -0.31 0.00 0.02 0.00 0.00 55.97 58.04 1yqb s LYS 92 Cb -0.22 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.56 1yqb s LYS 92 CO 0.05 -0.68 1.41 0.50 -0.92 0.00 0.00 175.35 175.71 1yqb s ARG 93 N 2.11 4.31 0.30 1.68 3.52 -1.26 -4.82 118.95 124.80 1yqb s ARG 93 Ca 0.72 2.17 -0.29 0.00 -0.13 0.00 0.00 55.73 58.20 1yqb s ARG 93 Cb -0.41 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1yqb s ARG 93 CO 0.32 -0.42 1.32 -0.65 -0.81 0.00 0.00 175.30 175.06 1yqb s GLN 94 N 0.49 4.35 0.81 5.12 -0.21 -1.26 -5.01 119.66 123.95 1yqb s GLN 94 Ca 0.62 2.20 -0.12 0.00 0.02 0.00 0.00 55.36 58.09 1yqb s GLN 94 Cb -0.39 -3.09 0.08 0.00 1.00 0.00 0.00 33.01 30.61 1yqb s GLN 94 CO 0.35 -0.22 1.14 -1.01 -2.12 0.00 0.00 175.29 173.43 1yqb s HIS 95 N -0.83 2.09 0.35 0.91 3.76 -1.26 -4.94 115.29 115.37 1yqb s HIS 95 Ca 0.51 1.66 0.27 0.00 -0.15 0.00 0.00 55.06 57.35 1yqb s HIS 95 Cb -0.40 -3.26 1.32 0.00 1.11 0.00 0.00 32.58 31.36 1yqb s HIS 95 CO 0.50 -2.35 2.01 0.00 -0.85 0.00 0.00 174.74 174.04 1yqb h ARG 96 N -1.15 0.00 -3.52 1.40 3.08 -2.07 -3.45 114.38 108.67 1yqb h ARG 96 Ca -0.44 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 1yqb h ARG 96 Cb 1.26 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.15 1yqb h ARG 96 CO 0.47 0.15 -0.31 0.00 -1.07 0.00 0.00 179.97 179.21 1yqb s ALA 97 N -4.05 -0.48 -2.00 0.04 0.00 -1.26 -5.37 121.76 108.64 1yqb s ALA 97 Ca -0.02 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.76 1yqb s ALA 97 Cb 0.12 0.38 0.43 0.00 0.00 0.00 0.00 23.12 24.05 1yqb s ALA 97 CO 0.60 -0.44 0.89 -1.33 0.00 0.00 0.00 175.76 175.47