#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq8 s LEU 1 N 0.00 2.65 0.11 -0.89 0.20 -1.26 -5.11 118.68 114.39 2rq8 s LEU 1 Ca 0.00 -0.40 -0.25 0.00 0.69 0.00 0.00 54.13 54.17 2rq8 s LEU 1 Cb 0.00 -1.62 -0.07 0.00 -0.43 0.00 0.00 46.19 44.08 2rq8 s LEU 1 CO 0.00 0.10 0.77 -0.63 -0.29 0.00 0.00 176.35 176.30 2rq8 s ILE 2 N 0.76 4.53 -0.09 6.68 1.01 -1.26 -5.06 121.20 127.76 2rq8 s ILE 2 Ca -0.05 1.68 0.02 0.00 0.00 0.00 0.00 60.65 62.30 2rq8 s ILE 2 Cb -0.15 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.20 2rq8 s ILE 2 CO 0.01 0.45 -0.15 -1.83 0.00 0.00 0.00 174.94 173.42 2rq8 s GLU 3 N -0.67 2.12 0.04 2.79 -1.05 -1.26 -5.05 118.70 115.62 2rq8 s GLU 3 Ca 0.37 -0.54 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 2rq8 s GLU 3 Cb -0.22 -1.74 -0.09 0.00 -0.44 0.00 0.00 34.13 31.64 2rq8 s GLU 3 CO 0.25 0.02 1.91 0.08 0.95 0.00 0.00 175.26 178.46 2rq8 s VAL 4 N 0.74 3.02 0.14 1.83 1.01 -1.26 -4.72 120.40 121.16 2rq8 s VAL 4 Ca -0.12 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 2rq8 s VAL 4 Cb -0.16 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2rq8 s VAL 4 CO 0.03 -0.01 1.62 -0.33 0.00 0.00 0.00 175.10 176.40 2rq8 h GLU 5 N 10.15 -0.34 -1.76 2.72 4.39 -1.21 -3.39 114.58 125.13 2rq8 h GLU 5 Ca -0.48 0.02 -0.30 0.00 0.34 0.00 0.00 59.36 58.95 2rq8 h GLU 5 Cb 1.23 0.08 -0.29 0.00 -0.10 0.00 0.00 28.75 29.67 2rq8 h GLU 5 CO 0.94 -0.23 -0.63 0.21 -1.16 0.00 0.00 179.01 178.14 2rq8 s LYS 6 N -6.03 0.65 0.14 2.33 2.47 -1.26 -5.00 119.74 113.05 2rq8 s LYS 6 Ca -0.15 -0.67 -0.31 0.00 -1.56 0.00 0.00 55.97 53.28 2rq8 s LYS 6 Cb 0.11 -0.55 -0.08 0.00 -1.46 0.00 0.00 37.83 35.85 2rq8 s LYS 6 CO 0.67 -1.18 1.34 -1.25 0.16 0.00 0.00 175.35 175.09 2rq8 s PRO 7 N 1.60 4.35 -0.38 4.03 0.04 -1.26 -4.50 135.00 138.88 2rq8 s PRO 7 Ca 0.16 2.04 -0.34 0.00 0.04 0.00 0.00 61.00 62.90 2rq8 s PRO 7 Cb -0.13 -3.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.06 2rq8 s PRO 7 CO -0.06 -0.36 2.23 1.28 0.04 0.00 0.00 177.00 180.13 2rq8 n LEU 8 N 3.48 2.06 0.21 -3.56 4.32 -1.26 -4.80 117.00 117.45 2rq8 n LEU 8 Ca 0.09 0.35 0.07 0.00 -0.02 0.00 0.00 56.01 56.50 2rq8 n LEU 8 Cb 0.43 -1.27 0.45 0.00 -1.62 0.00 0.00 43.42 41.41 2rq8 n LEU 8 CO 0.58 -0.78 0.77 1.55 -1.22 0.00 0.00 177.39 178.29 2rq8 h PRO 9 N 12.81 0.00 0.00 3.23 0.13 -1.93 -3.40 132.00 142.84 2rq8 h PRO 9 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2rq8 h PRO 9 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2rq8 h PRO 9 CO 1.04 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 179.52 2rq8 n GLY 10 N -0.09 -0.68 3.86 1.56 0.00 -1.26 -4.54 105.19 104.03 2rq8 n GLY 10 Ca -0.01 0.77 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 2rq8 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rq8 s VAL 11 N 0.00 4.85 -0.04 1.61 1.01 -0.78 -4.92 120.40 122.13 2rq8 s VAL 11 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2rq8 s VAL 11 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2rq8 s VAL 11 CO 0.00 -0.01 -0.20 -1.83 0.00 0.00 0.00 175.10 173.07 2rq8 s GLU 12 N -2.61 2.40 -0.06 2.72 -1.05 -1.26 -0.43 118.70 118.41 2rq8 s GLU 12 Ca 0.46 -0.81 -0.08 0.00 -0.15 0.00 0.00 54.97 54.39 2rq8 s GLU 12 Cb -0.12 -2.24 0.02 0.00 -0.44 0.00 0.00 34.13 31.35 2rq8 s GLU 12 CO 0.20 0.55 0.21 0.14 0.95 0.00 0.00 175.26 177.32 2rq8 s VAL 13 N -0.57 0.02 1.36 1.83 -7.23 0.88 -4.90 120.40 111.79 2rq8 s VAL 13 Ca 0.08 -0.15 -0.21 0.00 -1.81 0.00 0.00 61.98 59.89 2rq8 s VAL 13 Cb -0.11 -0.35 0.33 0.00 0.56 0.00 0.00 36.38 36.81 2rq8 s VAL 13 CO 0.01 -0.08 0.77 0.49 -0.31 0.00 0.00 175.10 175.98 2rq8 n PHE 14 N 2.59 -3.27 -2.97 2.82 3.72 -1.26 -0.86 117.46 118.22 2rq8 n PHE 14 Ca -0.15 -0.59 -0.41 0.00 -0.05 0.00 0.00 57.45 56.25 2rq8 n PHE 14 Cb 0.58 -1.38 -0.05 0.00 -0.94 0.00 0.00 39.48 37.69 2rq8 n PHE 14 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2rq8 s VAL 15 N -2.13 4.90 -1.41 -4.37 1.01 -0.38 -4.10 120.40 113.92 2rq8 s VAL 15 Ca 0.61 1.44 -0.05 0.00 0.00 0.00 0.00 61.98 63.98 2rq8 s VAL 15 Cb -0.12 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2rq8 s VAL 15 CO 0.53 -0.00 0.71 0.61 0.00 0.00 0.00 175.10 176.94 2rq8 n GLY 16 N 3.77 -0.33 0.00 4.51 0.00 -1.25 -4.86 105.19 107.03 2rq8 n GLY 16 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2rq8 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rq8 n GLU 17 N -4.41 0.00 -4.32 1.61 -0.58 -1.26 -4.70 120.64 106.98 2rq8 n GLU 17 Ca -0.19 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.35 2rq8 n GLU 17 Cb 0.63 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.37 2rq8 n GLU 17 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rq8 s THR 18 N 1.94 1.15 -0.21 2.62 2.01 -1.25 -3.66 115.64 118.24 2rq8 s THR 18 Ca 0.00 -1.10 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 2rq8 s THR 18 Cb 0.00 -1.06 0.06 0.00 0.01 0.00 0.00 72.50 71.51 2rq8 s THR 18 CO 0.00 -0.05 -0.03 0.00 -0.69 0.00 0.00 174.62 173.86 2rq8 s ALA 19 N -0.96 1.57 -0.24 7.40 0.00 0.97 -4.43 121.76 126.06 2rq8 s ALA 19 Ca 0.01 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 2rq8 s ALA 19 Cb -0.08 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2rq8 s ALA 19 CO 0.02 -1.10 0.22 -1.01 0.00 0.00 0.00 175.76 173.89 2rq8 s HIS 20 N 1.58 3.30 -0.08 0.00 3.76 -1.26 -1.67 115.29 120.92 2rq8 s HIS 20 Ca -0.03 0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 55.16 2rq8 s HIS 20 Cb -0.18 -2.36 0.02 0.00 1.11 0.00 0.00 32.58 31.18 2rq8 s HIS 20 CO -0.07 -0.01 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.70 2rq8 s PHE 21 N 1.32 1.09 -0.02 1.40 0.08 -1.08 -5.00 117.98 115.78 2rq8 s PHE 21 Ca 0.10 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2rq8 s PHE 21 Cb -0.14 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2rq8 s PHE 21 CO 0.07 -0.37 0.01 -1.83 -0.10 0.00 0.00 175.22 173.00 2rq8 s GLU 22 N 1.55 0.08 0.21 0.44 4.04 -1.26 -1.78 118.70 121.98 2rq8 s GLU 22 Ca 0.00 0.11 -0.07 0.00 0.04 0.00 0.00 54.97 55.05 2rq8 s GLU 22 Cb -0.13 -0.28 -0.02 0.00 0.02 0.00 0.00 34.13 33.72 2rq8 s GLU 22 CO -0.05 -0.12 0.29 0.96 -1.84 0.00 0.00 175.26 174.51 2rq8 s ILE 23 N 0.82 0.01 0.07 1.83 -0.00 -1.24 -4.85 121.20 117.85 2rq8 s ILE 23 Ca -0.07 -1.66 0.09 0.00 -0.00 0.00 0.00 60.65 59.01 2rq8 s ILE 23 Cb -0.10 -2.26 -0.03 0.00 -0.00 0.00 0.00 42.46 40.07 2rq8 s ILE 23 CO -0.02 -0.07 -0.25 -1.61 -0.00 0.00 0.00 174.94 173.00 2rq8 s GLU 24 N -4.07 1.55 -0.00 0.37 2.02 -1.26 -3.28 118.70 114.03 2rq8 s GLU 24 Ca 0.28 -1.14 0.05 0.00 0.02 0.00 0.00 54.97 54.19 2rq8 s GLU 24 Cb 0.03 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 32.40 2rq8 s GLU 24 CO 0.08 0.45 0.19 1.28 0.02 0.00 0.00 175.26 177.28 2rq8 n LEU 25 N 1.51 0.16 -1.71 1.80 4.77 -1.25 -0.79 117.00 121.50 2rq8 n LEU 25 Ca -0.17 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.29 2rq8 n LEU 25 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2rq8 n LEU 25 CO 0.23 0.04 -0.21 -0.24 -1.33 0.00 0.00 177.39 175.88 2rq8 n SER 26 N -1.35 -5.48 -2.86 -1.43 2.88 -1.26 -4.61 113.62 99.51 2rq8 n SER 26 Ca 0.00 0.44 -0.03 0.00 -1.33 0.00 0.00 58.87 57.95 2rq8 n SER 26 Cb 0.11 -4.80 0.01 0.00 -0.75 0.00 0.00 64.21 58.77 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2rq8 s GLU 27 N -3.92 0.99 0.00 -1.46 0.41 -1.26 -4.99 118.70 108.46 2rq8 s GLU 27 Ca 0.00 -0.85 0.15 0.00 -0.41 0.00 0.00 54.97 53.86 2rq8 s GLU 27 Cb 0.00 -0.01 0.68 0.00 -1.78 0.00 0.00 34.13 33.02 2rq8 s GLU 27 CO 0.00 -1.26 1.43 -0.35 -0.49 0.00 0.00 175.26 174.59 2rq8 n PRO 28 N 3.29 0.11 0.31 0.39 -0.04 -1.26 -3.01 135.00 134.79 2rq8 n PRO 28 Ca 0.16 0.20 0.19 0.00 -0.04 0.00 0.00 63.50 64.01 2rq8 n PRO 28 Cb 0.57 -1.50 1.04 0.00 -0.04 0.00 0.00 33.50 33.57 2rq8 n PRO 28 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2rq8 h ASP 29 N 0.00 0.00 -5.09 3.54 3.58 -1.94 -3.43 116.42 113.08 2rq8 h ASP 29 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 2rq8 h ASP 29 Cb 0.19 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.17 2rq8 h ASP 29 CO 0.00 0.00 -0.30 1.33 -2.88 0.00 0.00 179.24 177.39 2rq8 n VAL 30 N -3.31 0.00 -4.41 2.25 0.24 -1.16 -5.16 118.33 106.78 2rq8 n VAL 30 Ca -0.02 -1.89 -0.20 0.00 -2.04 0.00 0.00 64.34 60.19 2rq8 n VAL 30 Cb 0.16 0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 32.55 2rq8 n VAL 30 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2rq8 s HIS 31 N -2.38 1.83 0.22 6.34 2.46 -1.26 -5.02 115.29 117.49 2rq8 s HIS 31 Ca 0.14 -1.01 -0.07 0.00 0.47 0.00 0.00 55.06 54.59 2rq8 s HIS 31 Cb -0.01 -1.16 -0.02 0.00 -0.13 0.00 0.00 32.58 31.26 2rq8 s HIS 31 CO 0.09 -0.08 0.31 0.20 -2.47 0.00 0.00 174.74 172.78 2rq8 s GLY 32 N -3.43 0.97 0.00 1.59 0.00 -1.26 -1.64 107.32 103.55 2rq8 s GLY 32 Ca 0.36 -1.28 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 2rq8 s GLY 32 CO 0.15 -1.00 0.15 -0.86 0.00 0.00 0.00 173.10 171.53 2rq8 s GLN 33 N -4.09 0.49 -0.23 2.90 -2.07 -0.21 -5.00 119.66 111.46 2rq8 s GLN 33 Ca 0.30 -0.38 -0.09 0.00 -1.82 0.00 0.00 55.36 53.36 2rq8 s GLN 33 Cb 0.03 0.21 -0.05 0.00 -1.09 0.00 0.00 33.01 32.11 2rq8 s GLN 33 CO 0.10 -0.12 0.13 -1.58 -1.32 0.00 0.00 175.29 172.50 2rq8 s TRP 34 N -1.38 3.28 -0.05 9.60 0.52 -1.26 -1.57 118.94 128.08 2rq8 s TRP 34 Ca -0.15 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.13 2rq8 s TRP 34 Cb -0.07 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2rq8 s TRP 34 CO 0.02 0.04 -0.14 0.21 0.02 0.00 0.00 176.95 177.09 2rq8 s LYS 35 N 0.96 2.51 -0.01 4.98 2.47 0.45 -3.51 119.74 127.60 2rq8 s LYS 35 Ca 0.06 -0.70 -0.00 0.00 -1.56 0.00 0.00 55.97 53.77 2rq8 s LYS 35 Cb -0.13 -2.38 0.01 0.00 -1.46 0.00 0.00 37.83 33.87 2rq8 s LYS 35 CO 0.03 0.62 0.01 -1.17 0.16 0.00 0.00 175.35 175.00 2rq8 s LEU 36 N -0.71 1.75 0.61 5.43 1.98 -1.26 -2.72 118.68 123.76 2rq8 s LEU 36 Ca 0.11 0.02 0.31 0.00 -2.89 0.00 0.00 54.13 51.68 2rq8 s LEU 36 Cb -0.11 -0.01 1.79 0.00 0.66 0.00 0.00 46.19 48.53 2rq8 s LEU 36 CO 0.01 -0.03 2.15 0.50 -1.89 0.00 0.00 176.35 177.08 2rq8 h LYS 37 N 6.44 0.00 0.15 1.98 3.64 -1.98 -2.89 116.57 123.91 2rq8 h LYS 37 Ca -0.30 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 2rq8 h LYS 37 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2rq8 h LYS 37 CO 0.50 0.00 -0.07 0.78 -2.27 0.00 0.00 179.45 178.39 2rq8 h GLY 38 N 0.00 -0.21 -1.44 5.01 0.00 -1.96 -3.46 103.07 101.01 2rq8 h GLY 38 Ca 0.05 0.08 -0.50 0.00 0.00 0.00 0.00 47.33 46.96 2rq8 h GLY 38 CO -0.00 -0.08 0.41 1.20 0.00 0.00 0.00 176.54 178.07 2rq8 s GLN 39 N -2.28 3.62 0.00 4.80 1.11 -1.09 -5.01 119.66 120.81 2rq8 s GLN 39 Ca -0.04 0.81 -0.24 0.00 0.01 0.00 0.00 55.36 55.90 2rq8 s GLN 39 Cb 0.00 -2.08 -0.18 0.00 -1.01 0.00 0.00 33.01 29.74 2rq8 s GLN 39 CO 0.12 -0.55 1.30 -1.00 0.01 0.00 0.00 175.29 175.17 2rq8 h PRO 40 N -0.10 0.13 0.00 2.91 0.13 -1.90 -3.40 132.00 129.77 2rq8 h PRO 40 Ca -0.45 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2rq8 h PRO 40 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2rq8 h PRO 40 CO 0.61 0.58 0.00 1.47 -0.23 0.00 0.00 178.00 180.43 2rq8 n LEU 41 N -4.75 0.00 -4.91 1.56 -0.00 -1.26 -4.91 117.00 102.74 2rq8 n LEU 41 Ca -0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.66 2rq8 n LEU 41 Cb 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.73 2rq8 n LEU 41 CO 0.36 0.00 0.53 0.00 -0.00 0.00 0.00 177.39 178.28 2rq8 s ALA 42 N -1.58 3.30 -1.04 1.47 0.00 -1.23 -4.23 121.76 118.45 2rq8 s ALA 42 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 2rq8 s ALA 42 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2rq8 s ALA 42 CO 0.00 -0.64 0.43 0.00 0.00 0.00 0.00 175.76 175.54 2rq8 n ALA 43 N -2.50 -0.66 -0.82 0.00 0.00 -1.26 -4.99 120.51 110.28 2rq8 n ALA 43 Ca 0.03 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2rq8 n ALA 43 Cb 0.56 -2.83 0.16 0.00 0.00 0.00 0.00 19.45 17.35 2rq8 n ALA 43 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2rq8 s SER 44 N -2.82 2.96 0.00 0.00 0.01 -1.26 -4.88 113.70 107.70 2rq8 s SER 44 Ca 0.21 1.96 0.15 0.00 1.31 0.00 0.00 55.95 59.58 2rq8 s SER 44 Cb -0.09 -2.48 0.68 0.00 0.21 0.00 0.00 66.02 64.34 2rq8 s SER 44 CO 0.26 -3.04 1.43 -0.81 0.41 0.00 0.00 173.24 171.49 2rq8 n PRO 45 N -4.18 0.11 -0.09 12.44 -0.04 -1.26 -1.96 135.00 140.02 2rq8 n PRO 45 Ca 0.10 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.78 2rq8 n PRO 45 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2rq8 n PRO 45 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq8 n ASP 46 N -1.38 2.48 -4.29 3.54 8.00 -1.26 -5.02 116.55 118.61 2rq8 n ASP 46 Ca 0.05 -2.05 -0.16 0.00 0.71 0.00 0.00 54.79 53.35 2rq8 n ASP 46 Cb 0.14 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rq8 s GLU 48 N -3.90 0.72 -0.32 0.00 0.41 -1.17 -4.55 118.70 109.89 2rq8 s GLU 48 Ca 0.27 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2rq8 s GLU 48 Cb 0.06 -0.93 0.08 0.00 -1.78 0.00 0.00 34.13 31.55 2rq8 s GLU 48 CO 0.07 -0.21 0.03 0.42 -0.49 0.00 0.00 175.26 175.08 2rq8 s ILE 49 N 1.54 2.72 -0.23 -1.63 1.01 -1.26 -2.19 121.20 121.16 2rq8 s ILE 49 Ca -0.01 -1.79 -0.02 0.00 0.00 0.00 0.00 60.65 58.83 2rq8 s ILE 49 Cb -0.13 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.62 2rq8 s ILE 49 CO -0.03 -0.32 -0.08 -0.63 0.00 0.00 0.00 174.94 173.88 2rq8 s ILE 50 N 1.12 2.92 -0.44 2.92 -1.09 -0.75 -4.97 121.20 120.91 2rq8 s ILE 50 Ca 0.00 -0.82 -0.08 0.00 -2.23 0.00 0.00 60.65 57.52 2rq8 s ILE 50 Cb -0.20 -2.39 0.10 0.00 -1.58 0.00 0.00 42.46 38.39 2rq8 s ILE 50 CO -0.04 0.33 0.28 -1.83 -1.23 0.00 0.00 174.94 172.45 2rq8 s GLU 51 N 1.37 2.40 -0.54 2.79 1.03 -1.26 -1.34 118.70 123.16 2rq8 s GLU 51 Ca 0.03 -1.68 -0.16 0.00 0.03 0.00 0.00 54.97 53.18 2rq8 s GLU 51 Cb -0.15 -3.79 0.12 0.00 -0.80 0.00 0.00 34.13 29.51 2rq8 s GLU 51 CO -0.05 -1.09 0.52 0.34 -1.33 0.00 0.00 175.26 173.65 2rq8 s ASP 52 N 2.31 6.19 0.00 0.83 2.15 -0.75 -4.88 116.67 122.52 2rq8 s ASP 52 Ca 0.05 -1.72 0.00 0.00 0.43 0.00 0.00 52.55 51.31 2rq8 s ASP 52 Cb -0.24 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2rq8 s ASP 52 CO -0.01 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 2rq8 n GLY 53 N 5.25 2.02 0.00 2.66 0.00 -1.26 -3.02 105.19 110.84 2rq8 n GLY 53 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2rq8 n GLY 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rq8 n LYS 54 N 0.00 3.82 -3.63 1.61 0.00 -1.26 -4.66 118.16 114.04 2rq8 n LYS 54 Ca 0.00 -0.15 -0.32 0.00 -0.00 0.00 0.00 58.31 57.83 2rq8 n LYS 54 Cb 0.00 -0.62 -0.05 0.00 -0.00 0.00 0.00 35.03 34.36 2rq8 n LYS 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2rq8 s LYS 55 N -0.59 3.66 -0.10 -1.58 -2.85 -1.17 -3.82 119.74 113.30 2rq8 s LYS 55 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2rq8 s LYS 55 Cb 0.00 -2.88 0.02 0.00 -2.06 0.00 0.00 37.83 32.91 2rq8 s LYS 55 CO 0.00 0.49 -0.08 -1.01 0.10 0.00 0.00 175.35 174.85 2rq8 s HIS 56 N -1.59 1.39 -0.12 1.78 3.76 -1.20 -1.80 115.29 117.50 2rq8 s HIS 56 Ca 0.39 -0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2rq8 s HIS 56 Cb -0.13 -1.16 -0.03 0.00 1.11 0.00 0.00 32.58 32.38 2rq8 s HIS 56 CO 0.22 -0.45 -0.04 -1.50 -0.85 0.00 0.00 174.74 172.12 2rq8 s ILE 57 N 1.55 3.88 -0.13 0.60 1.10 -0.45 -3.62 121.20 124.13 2rq8 s ILE 57 Ca 0.02 -0.38 -0.00 0.00 -0.51 0.00 0.00 60.65 59.77 2rq8 s ILE 57 Cb -0.13 -2.66 0.03 0.00 0.15 0.00 0.00 42.46 39.85 2rq8 s ILE 57 CO -0.06 0.54 -0.07 -0.22 -2.11 0.00 0.00 174.94 173.01 2rq8 s LEU 58 N -0.11 1.34 -0.20 8.50 1.98 -0.73 -1.80 118.68 127.65 2rq8 s LEU 58 Ca 0.02 -0.42 -0.08 0.00 -2.89 0.00 0.00 54.13 50.76 2rq8 s LEU 58 Cb -0.13 -0.88 -0.04 0.00 0.66 0.00 0.00 46.19 45.80 2rq8 s LEU 58 CO 0.03 -0.14 0.08 -0.63 -1.89 0.00 0.00 176.35 173.80 2rq8 s ILE 59 N 1.67 4.81 -0.21 6.68 1.01 -0.93 -2.63 121.20 131.60 2rq8 s ILE 59 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2rq8 s ILE 59 Cb -0.13 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.17 2rq8 s ILE 59 CO -0.08 0.42 -0.15 -0.22 0.00 0.00 0.00 174.94 174.91 2rq8 s LEU 60 N 0.67 2.61 0.00 2.97 2.96 -0.67 -3.05 118.68 124.18 2rq8 s LEU 60 Ca 0.04 -0.80 0.07 0.00 -0.22 0.00 0.00 54.13 53.22 2rq8 s LEU 60 Cb -0.13 -1.55 0.25 0.00 0.50 0.00 0.00 46.19 45.26 2rq8 s LEU 60 CO 0.02 -0.06 1.18 1.41 -1.32 0.00 0.00 176.35 177.58 2rq8 n HIS 61 N 4.61 0.19 -3.70 5.38 8.25 -1.26 -0.02 115.22 128.67 2rq8 n HIS 61 Ca -0.19 -0.10 -0.30 0.00 -0.26 0.00 0.00 57.72 56.88 2rq8 n HIS 61 Cb 0.48 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 2rq8 n HIS 61 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2rq8 s ASN 62 N -1.08 3.85 -0.12 0.41 0.02 -1.24 -4.25 114.94 112.53 2rq8 s ASN 62 Ca 0.13 -1.92 0.16 0.00 -1.02 0.00 0.00 52.86 50.21 2rq8 s ASN 62 Cb 0.07 -0.86 0.60 0.00 0.02 0.00 0.00 41.25 41.07 2rq8 s ASN 62 CO 0.09 -0.37 1.51 0.00 0.02 0.00 0.00 177.10 178.35 2rq8 n GLN 64 N 0.52 3.15 -1.65 0.00 10.64 -1.26 -3.85 117.38 124.93 2rq8 n GLN 64 Ca 0.22 -3.25 -0.07 0.00 -1.83 0.00 0.00 57.00 52.07 2rq8 n GLN 64 Cb 0.83 -3.51 0.08 0.00 -0.86 0.00 0.00 30.24 26.78 2rq8 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2rq8 n LEU 65 N 8.58 3.13 0.00 2.61 4.77 -1.26 -4.97 117.00 129.86 2rq8 n LEU 65 Ca 0.49 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 2rq8 n LEU 65 Cb 0.46 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2rq8 n LEU 65 CO 0.77 1.49 0.00 0.61 -1.33 0.00 0.00 177.39 178.93 2rq8 n GLY 66 N -0.65 -0.49 0.22 -0.72 0.00 -1.26 -3.68 105.19 98.61 2rq8 n GLY 66 Ca 0.25 -1.12 0.06 0.00 0.00 0.00 0.00 46.02 45.21 2rq8 n GLY 66 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2rq8 h MET 67 N 0.00 0.00 -2.96 1.61 1.85 -1.97 -3.44 114.93 110.02 2rq8 h MET 67 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2rq8 h MET 67 Cb 0.00 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 31.90 2rq8 h MET 67 CO 0.00 0.26 0.13 0.95 -0.40 0.00 0.00 176.91 177.85 2rq8 s THR 68 N -4.24 0.02 0.08 -0.77 -4.23 -1.24 -3.16 115.64 102.10 2rq8 s THR 68 Ca -0.03 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 2rq8 s THR 68 Cb 0.14 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 2rq8 s THR 68 CO 0.68 -0.07 -0.10 -0.83 -0.54 0.00 0.00 174.62 173.75 2rq8 s GLY 69 N -2.53 0.77 -0.32 3.99 0.00 -1.16 -4.81 107.32 103.26 2rq8 s GLY 69 Ca -0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 2rq8 s GLY 69 CO -0.09 -1.14 0.09 1.85 0.00 0.00 0.00 173.10 173.81 2rq8 s GLU 70 N -2.41 2.78 -0.27 2.90 2.12 -1.26 -1.71 118.70 120.85 2rq8 s GLU 70 Ca 0.01 -1.07 -0.14 0.00 0.36 0.00 0.00 54.97 54.14 2rq8 s GLU 70 Cb -0.05 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2rq8 s GLU 70 CO 0.00 -0.59 0.32 0.54 -0.54 0.00 0.00 175.26 175.00 2rq8 s VAL 71 N 1.44 5.22 -0.18 3.70 0.11 -1.13 -4.67 120.40 124.89 2rq8 s VAL 71 Ca -0.00 0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 59.48 2rq8 s VAL 71 Cb -0.19 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2rq8 s VAL 71 CO 0.03 0.19 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.50 2rq8 s SER 72 N 1.61 4.55 -0.07 3.54 0.01 -1.10 -1.87 113.70 120.36 2rq8 s SER 72 Ca 0.13 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.16 2rq8 s SER 72 Cb -0.16 -1.75 0.02 0.00 0.21 0.00 0.00 66.02 64.34 2rq8 s SER 72 CO 0.10 0.10 -0.10 0.12 0.41 0.00 0.00 173.24 173.86 2rq8 s PHE 73 N 0.76 1.39 -0.25 2.43 5.36 0.91 -0.41 117.98 128.17 2rq8 s PHE 73 Ca -0.02 -0.55 -0.08 0.00 -0.96 0.00 0.00 56.93 55.32 2rq8 s PHE 73 Cb -0.15 -1.06 -0.04 0.00 -0.34 0.00 0.00 43.02 41.44 2rq8 s PHE 73 CO 0.02 -0.32 0.10 -1.14 -1.46 0.00 0.00 175.22 172.42 2rq8 s GLN 74 N 0.91 3.76 -0.49 10.12 0.74 -0.61 -2.00 119.66 132.10 2rq8 s GLN 74 Ca -0.10 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 54.90 2rq8 s GLN 74 Cb -0.15 -3.41 0.13 0.00 1.10 0.00 0.00 33.01 30.68 2rq8 s GLN 74 CO 0.01 -0.15 0.26 0.00 -0.55 0.00 0.00 175.29 174.85 2rq8 s ALA 75 N 1.57 3.28 -0.65 1.58 0.00 -1.12 -1.04 121.76 125.37 2rq8 s ALA 75 Ca 0.06 -3.00 -0.05 0.00 0.00 0.00 0.00 51.96 48.97 2rq8 s ALA 75 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.67 2rq8 s ALA 75 CO 0.06 -1.94 0.67 0.00 0.00 0.00 0.00 175.76 174.54 2rq8 n ALA 76 N 3.69 -2.65 -3.80 0.00 0.00 -0.65 -3.01 120.51 114.08 2rq8 n ALA 76 Ca 0.04 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 2rq8 n ALA 76 Cb 0.37 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2rq8 n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rq8 n ASN 77 N -1.38 -4.22 -4.26 0.00 5.03 -1.26 -4.95 115.26 104.22 2rq8 n ASN 77 Ca 0.01 -0.70 -0.28 0.00 0.87 0.00 0.00 54.58 54.48 2rq8 n ASN 77 Cb 0.51 -3.41 -0.15 0.00 -1.02 0.00 0.00 39.78 35.70 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2rq8 s THR 78 N -3.18 1.77 -0.31 3.41 2.01 -1.17 -5.07 115.64 113.11 2rq8 s THR 78 Ca 0.60 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2rq8 s THR 78 Cb -0.31 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2rq8 s THR 78 CO 0.74 0.41 0.43 -0.54 -0.69 0.00 0.00 174.62 174.97 2rq8 s LYS 79 N -0.76 3.80 -0.16 4.92 3.01 -1.26 -2.79 119.74 126.51 2rq8 s LYS 79 Ca 0.09 -0.08 -0.02 0.00 -1.01 0.00 0.00 55.97 54.95 2rq8 s LYS 79 Cb -0.09 -3.73 0.05 0.00 -1.01 0.00 0.00 37.83 33.05 2rq8 s LYS 79 CO 0.00 -0.46 0.00 -1.12 0.51 0.00 0.00 175.35 174.29 2rq8 s SER 80 N 1.69 2.60 -0.02 2.83 0.01 -0.84 -5.01 113.70 114.94 2rq8 s SER 80 Ca 0.16 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 56.87 2rq8 s SER 80 Cb -0.16 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 2rq8 s SER 80 CO 0.11 -0.25 -0.20 0.00 0.41 0.00 0.00 173.24 173.32 2rq8 s ALA 81 N 1.82 1.66 0.13 1.44 0.00 -1.26 -0.06 121.76 125.48 2rq8 s ALA 81 Ca 0.01 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2rq8 s ALA 81 Cb -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2rq8 s ALA 81 CO -0.07 0.39 -0.10 0.00 0.00 0.00 0.00 175.76 175.99 2rq8 s ALA 82 N -0.41 1.32 -0.09 0.00 0.00 -0.78 -4.90 121.76 116.89 2rq8 s ALA 82 Ca 0.06 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.51 2rq8 s ALA 82 Cb -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2rq8 s ALA 82 CO -0.00 -0.10 0.26 1.21 0.00 0.00 0.00 175.76 177.13 2rq8 s ASN 83 N -2.98 6.53 -0.13 0.00 2.47 -1.26 -2.83 114.94 116.74 2rq8 s ASN 83 Ca 0.13 0.62 -0.01 0.00 0.42 0.00 0.00 52.86 54.03 2rq8 s ASN 83 Cb 0.02 -2.15 -0.02 0.00 -1.45 0.00 0.00 41.25 37.64 2rq8 s ASN 83 CO -0.00 0.31 -0.08 -0.22 -3.72 0.00 0.00 177.10 173.38 2rq8 s LEU 84 N -0.66 3.00 -0.30 3.21 2.96 -0.69 -1.86 118.68 124.34 2rq8 s LEU 84 Ca 0.18 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 2rq8 s LEU 84 Cb -0.14 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2rq8 s LEU 84 CO 0.07 0.21 0.11 -0.75 -1.32 0.00 0.00 176.35 174.67 2rq8 s LYS 85 N 0.11 3.16 -0.34 1.98 2.20 0.43 -2.98 119.74 124.30 2rq8 s LYS 85 Ca -0.03 -0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 54.48 2rq8 s LYS 85 Cb -0.14 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.74 2rq8 s LYS 85 CO 0.04 -0.45 1.01 0.08 -0.36 0.00 0.00 175.35 175.67 2rq8 s VAL 86 N 1.54 4.53 0.10 4.02 1.01 -1.19 -0.09 120.40 130.33 2rq8 s VAL 86 Ca 0.03 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2rq8 s VAL 86 Cb -0.17 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2rq8 s VAL 86 CO 0.04 -0.52 0.17 -0.75 0.00 0.00 0.00 175.10 174.04 2rq8 s LYS 87 N 3.60 3.18 0.42 2.72 2.47 -0.04 -4.93 119.74 127.17 2rq8 s LYS 87 Ca 0.42 -0.61 -0.21 0.00 -1.56 0.00 0.00 55.97 54.01 2rq8 s LYS 87 Cb -0.12 -2.87 -0.11 0.00 -1.46 0.00 0.00 37.83 33.28 2rq8 s LYS 87 CO 0.17 0.56 0.94 -2.00 0.16 0.00 0.00 175.35 175.18 2rq8 s GLU 88 N -2.69 4.22 0.00 4.03 2.12 -1.26 -1.24 118.70 123.88 2rq8 s GLU 88 Ca 0.32 1.10 0.18 0.00 0.36 0.00 0.00 54.97 56.93 2rq8 s GLU 88 Cb -0.12 -2.20 0.77 0.00 0.26 0.00 0.00 34.13 32.84 2rq8 s GLU 88 CO 0.25 -0.02 1.54 1.28 -0.54 0.00 0.00 175.26 177.77 2rq8 n LEU 89 N -0.61 1.08 -4.19 2.70 4.32 -1.26 -4.65 117.00 114.38 2rq8 n LEU 89 Ca 0.07 -0.46 -0.40 0.00 -0.02 0.00 0.00 56.01 55.19 2rq8 n LEU 89 Cb 0.54 -0.08 -0.09 0.00 -1.62 0.00 0.00 43.42 42.17 2rq8 n LEU 89 CO 0.37 0.23 -0.02 -0.76 -1.22 0.00 0.00 177.39 175.99 2rq8 s LEU 90 N -1.48 5.65 0.33 2.23 2.01 -1.26 -5.08 118.68 121.07 2rq8 s LEU 90 Ca 0.28 -2.02 0.05 0.00 0.01 0.00 0.00 54.13 52.45 2rq8 s LEU 90 Cb 0.14 -1.98 -0.01 0.00 0.01 0.00 0.00 46.19 44.35 2rq8 s LEU 90 CO 0.22 -0.65 0.48 -0.70 1.01 0.00 0.00 176.35 176.71 2rq8 s GLU 91 N 1.19 3.22 -0.10 1.70 2.12 -1.26 -5.11 118.70 120.45 2rq8 s GLU 91 Ca 0.07 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.58 2rq8 s GLU 91 Cb -0.25 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.37 2rq8 s GLU 91 CO -0.02 0.11 -0.08 -1.58 -0.54 0.00 0.00 175.26 173.15 2rq8 s HIS 92 N -2.19 1.40 0.95 5.30 5.65 -1.26 -5.13 115.29 120.01 2rq8 s HIS 92 Ca 0.42 -0.64 -0.11 0.00 0.25 0.00 0.00 55.06 54.98 2rq8 s HIS 92 Cb -0.09 -1.14 0.10 0.00 -1.18 0.00 0.00 32.58 30.27 2rq8 s HIS 92 CO 0.32 -0.43 0.80 -2.39 -0.65 0.00 0.00 174.74 172.38 2rq8 n HIS 93 N 4.62 -0.27 -3.64 3.88 1.44 -1.26 -5.04 115.22 114.95 2rq8 n HIS 93 Ca -0.16 0.30 -0.05 0.00 -2.01 0.00 0.00 57.72 55.81 2rq8 n HIS 93 Cb 0.50 -1.89 -0.07 0.00 0.12 0.00 0.00 29.99 28.66 2rq8 n HIS 93 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2rq8 s HIS 94 N -2.52 -0.25 -0.05 -1.40 -3.43 -1.26 -5.05 115.29 101.34 2rq8 s HIS 94 Ca 0.62 0.58 -0.01 0.00 -0.80 0.00 0.00 55.06 55.45 2rq8 s HIS 94 Cb -0.22 0.39 -0.26 0.00 -1.43 0.00 0.00 32.58 31.05 2rq8 s HIS 94 CO 0.63 -0.12 0.65 1.25 -2.00 0.00 0.00 174.74 175.15 2rq8 h HIS 95 N 3.95 0.38 -4.00 0.38 2.76 -2.10 -3.47 115.15 113.05 2rq8 h HIS 95 Ca -0.28 -0.27 -0.41 0.00 -2.20 0.00 0.00 60.37 57.22 2rq8 h HIS 95 Cb 1.19 -0.02 -0.24 0.00 1.55 0.00 0.00 27.41 29.89 2rq8 h HIS 95 CO 0.24 1.44 -0.78 -3.38 -1.30 0.00 0.00 177.93 174.15 2rq8 s HIS 96 N -2.59 1.09 -2.00 5.26 0.00 -1.26 -5.37 115.29 110.42 2rq8 s HIS 96 Ca -0.12 -0.37 0.26 0.00 -3.00 0.00 0.00 55.06 51.82 2rq8 s HIS 96 Cb 0.07 -0.64 1.56 0.00 -4.00 0.00 0.00 32.58 29.57 2rq8 s HIS 96 CO 0.82 0.02 1.92 1.58 -1.00 0.00 0.00 174.74 178.08