#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 5.93 -0.21 4.03 2.01 -1.26 -5.02 118.68 124.16 2rq8 s LEU 1 Ca 0.00 -2.75 -0.17 0.00 0.01 0.00 0.00 54.13 51.22 2rq8 s LEU 1 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 46.19 43.87 2rq8 s LEU 1 CO 0.00 -0.68 0.45 -0.63 1.01 0.00 0.00 176.35 176.51 2rq8 s ILE 2 N 0.79 5.15 -0.06 -0.59 -1.09 -1.26 -5.06 121.20 119.08 2rq8 s ILE 2 Ca 0.29 0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 59.49 2rq8 s ILE 2 Cb -0.07 -3.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2rq8 s ILE 2 CO -0.07 0.20 0.13 -1.61 -1.23 0.00 0.00 174.94 172.36 2rq8 s GLU 3 N 1.58 0.06 0.14 2.79 2.02 -1.26 -5.01 118.70 119.02 2rq8 s GLU 3 Ca 0.21 0.38 -0.31 0.00 0.02 0.00 0.00 54.97 55.27 2rq8 s GLU 3 Cb -0.15 -0.21 -0.10 0.00 0.10 0.00 0.00 34.13 33.77 2rq8 s GLU 3 CO 0.09 -0.19 1.65 0.08 0.02 0.00 0.00 175.26 176.90 2rq8 s VAL 4 N 1.38 2.60 -0.02 2.63 1.01 -1.26 -4.44 120.40 122.30 2rq8 s VAL 4 Ca -0.07 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2rq8 s VAL 4 Cb -0.12 -3.21 -0.24 0.00 0.00 0.00 0.00 36.38 32.81 2rq8 s VAL 4 CO -0.06 0.02 0.76 -0.33 0.00 0.00 0.00 175.10 175.49 2rq8 h GLU 5 N 7.38 0.06 -1.83 2.72 5.08 -0.68 -3.42 114.58 123.89 2rq8 h GLU 5 Ca -0.43 -0.10 -0.46 0.00 -1.00 0.00 0.00 59.36 57.36 2rq8 h GLU 5 Cb 1.20 0.04 -0.32 0.00 0.50 0.00 0.00 28.75 30.18 2rq8 h GLU 5 CO 0.93 0.73 -0.86 1.17 -1.00 0.00 0.00 179.01 179.97 2rq8 n LYS 6 N -3.19 0.40 -0.09 2.33 4.81 -1.16 -4.90 118.16 116.36 2rq8 n LYS 6 Ca -0.16 -2.84 -0.02 0.00 -0.87 0.00 0.00 58.31 54.42 2rq8 n LYS 6 Cb 1.03 -1.53 0.02 0.00 0.02 0.00 0.00 35.03 34.58 2rq8 n LYS 6 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2rq8 n PRO 7 N 2.51 -1.20 -3.56 1.64 -0.04 -1.26 -2.28 135.00 130.80 2rq8 n PRO 7 Ca 0.24 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 2rq8 n PRO 7 Cb 0.52 -0.13 -0.07 0.00 -0.04 0.00 0.00 33.50 33.77 2rq8 n PRO 7 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rq8 s LEU 8 N 0.00 5.80 0.00 1.53 1.43 -1.26 -4.90 118.68 121.28 2rq8 s LEU 8 Ca 0.06 -2.52 0.15 0.00 -1.03 0.00 0.00 54.13 50.78 2rq8 s LEU 8 Cb -0.01 -2.00 0.70 0.00 0.03 0.00 0.00 46.19 44.92 2rq8 s LEU 8 CO 0.04 -0.52 1.43 -0.81 0.23 0.00 0.00 176.35 176.72 2rq8 n PRO 9 N 4.06 0.14 0.00 1.29 -0.04 -1.26 -4.52 135.00 134.67 2rq8 n PRO 9 Ca 0.05 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2rq8 n PRO 9 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2rq8 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rq8 n GLY 10 N -0.02 2.53 3.05 0.55 0.00 -1.26 -4.83 105.19 105.22 2rq8 n GLY 10 Ca 0.06 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 1.50 -0.07 1.61 1.01 -1.10 -5.05 120.40 118.30 2rq8 s VAL 11 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2rq8 s VAL 11 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2rq8 s VAL 11 CO 0.00 0.44 -0.23 -0.70 0.00 0.00 0.00 175.10 174.61 2rq8 s GLU 12 N 1.02 2.74 0.16 2.72 -6.30 -1.26 -1.66 118.70 116.11 2rq8 s GLU 12 Ca -0.06 -0.86 -0.04 0.00 -2.50 0.00 0.00 54.97 51.51 2rq8 s GLU 12 Cb -0.15 -2.26 -0.03 0.00 0.00 0.00 0.00 34.13 31.70 2rq8 s GLU 12 CO -0.02 0.34 0.16 0.08 0.02 0.00 0.00 175.26 175.83 2rq8 s VAL 13 N -0.04 0.06 0.85 3.70 1.01 -0.32 -4.96 120.40 120.70 2rq8 s VAL 13 Ca -0.07 -1.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 2rq8 s VAL 13 Cb -0.15 -2.11 0.21 0.00 0.00 0.00 0.00 36.38 34.33 2rq8 s VAL 13 CO 0.05 -0.29 0.86 0.49 0.00 0.00 0.00 175.10 176.21 2rq8 n PHE 14 N -0.18 -3.76 -3.52 5.22 3.72 -1.26 -0.37 117.46 117.32 2rq8 n PHE 14 Ca -0.04 -0.77 -0.41 0.00 -0.05 0.00 0.00 57.45 56.18 2rq8 n PHE 14 Cb 0.64 -0.82 -0.10 0.00 -0.94 0.00 0.00 39.48 38.26 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 -2.66 5.25 -0.25 -4.37 1.01 -0.26 -4.42 120.40 114.70 2rq8 s VAL 15 Ca 0.53 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2rq8 s VAL 15 Cb -0.04 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2rq8 s VAL 15 CO 0.40 -0.10 0.21 0.61 0.00 0.00 0.00 175.10 176.23 2rq8 n GLY 16 N 5.12 0.36 0.00 4.51 0.00 -1.24 -4.81 105.19 109.12 2rq8 n GLY 16 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.60 0.00 -4.63 1.61 -0.58 -1.26 -4.53 120.64 109.65 2rq8 n GLU 17 Ca -0.05 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 2rq8 n GLU 17 Cb 0.53 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.24 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 3.37 1.19 -0.33 2.62 2.01 -1.26 -2.40 115.64 120.84 2rq8 s THR 18 Ca 0.00 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2rq8 s THR 18 Cb 0.00 -1.08 0.07 0.00 0.01 0.00 0.00 72.50 71.50 2rq8 s THR 18 CO 0.00 0.36 0.06 0.00 -0.69 0.00 0.00 174.62 174.35 2rq8 s ALA 19 N 0.57 2.91 -0.34 7.40 0.00 -0.85 -4.81 121.76 126.64 2rq8 s ALA 19 Ca -0.13 -2.01 -0.14 0.00 0.00 0.00 0.00 51.96 49.68 2rq8 s ALA 19 Cb -0.15 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 2rq8 s ALA 19 CO 0.04 -1.43 0.28 -1.01 0.00 0.00 0.00 175.76 173.64 2rq8 s HIS 20 N 1.20 3.22 -0.20 0.00 3.76 -1.26 -2.04 115.29 119.97 2rq8 s HIS 20 Ca -0.01 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 2rq8 s HIS 20 Cb -0.20 -2.55 -0.01 0.00 1.11 0.00 0.00 32.58 30.93 2rq8 s HIS 20 CO -0.02 -0.38 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.36 2rq8 s PHE 21 N 1.83 2.93 -0.06 1.40 0.40 -1.06 -4.98 117.98 118.44 2rq8 s PHE 21 Ca 0.08 -0.92 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 2rq8 s PHE 21 Cb -0.17 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.32 2rq8 s PHE 21 CO 0.11 -0.49 -0.14 -1.83 0.70 0.00 0.00 175.22 173.56 2rq8 s GLU 22 N 1.25 1.81 0.21 0.44 -1.05 -1.26 -2.63 118.70 117.46 2rq8 s GLU 22 Ca 0.03 -0.49 -0.07 0.00 -0.15 0.00 0.00 54.97 54.29 2rq8 s GLU 22 Cb -0.14 -1.49 -0.02 0.00 -0.44 0.00 0.00 34.13 32.04 2rq8 s GLU 22 CO -0.02 0.09 0.30 0.96 0.95 0.00 0.00 175.26 177.53 2rq8 s ILE 23 N 0.49 0.02 -0.03 1.83 -0.00 -1.25 -4.80 121.20 117.46 2rq8 s ILE 23 Ca -0.12 -1.64 0.07 0.00 -0.00 0.00 0.00 60.65 58.96 2rq8 s ILE 23 Cb -0.15 -2.24 -0.02 0.00 -0.00 0.00 0.00 42.46 40.05 2rq8 s ILE 23 CO 0.04 -0.07 -0.25 -1.61 -0.00 0.00 0.00 174.94 173.05 2rq8 s GLU 24 N -4.06 2.14 -0.01 0.37 8.01 -0.97 -3.56 118.70 120.62 2rq8 s GLU 24 Ca 0.28 -0.90 0.10 0.00 0.01 0.00 0.00 54.97 54.46 2rq8 s GLU 24 Cb 0.03 -2.00 -0.13 0.00 -4.31 0.00 0.00 34.13 27.72 2rq8 s GLU 24 CO 0.08 0.51 0.29 1.28 0.01 0.00 0.00 175.26 177.43 2rq8 n LEU 25 N 2.57 0.19 -1.74 1.80 4.32 -1.17 -0.02 117.00 122.94 2rq8 n LEU 25 Ca -0.16 -0.21 -0.19 0.00 -0.02 0.00 0.00 56.01 55.43 2rq8 n LEU 25 Cb 0.51 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 2rq8 n LEU 25 CO 0.24 0.05 -0.19 -1.54 -1.22 0.00 0.00 177.39 174.72 2rq8 n SER 26 N -1.57 -5.07 -2.88 -1.43 3.41 -1.26 -4.27 113.62 100.54 2rq8 n SER 26 Ca -0.00 0.37 -0.03 0.00 -0.26 0.00 0.00 58.87 58.95 2rq8 n SER 26 Cb 0.21 -4.46 0.00 0.00 -0.26 0.00 0.00 64.21 59.70 2rq8 n SER 26 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2rq8 s GLU 27 N -3.92 1.01 0.00 4.33 2.56 -1.26 -4.99 118.70 116.43 2rq8 s GLU 27 Ca 0.00 -0.88 0.14 0.00 0.00 0.00 0.00 54.97 54.24 2rq8 s GLU 27 Cb 0.00 -0.03 0.67 0.00 2.00 0.00 0.00 34.13 36.77 2rq8 s GLU 27 CO 0.00 -1.29 1.43 -0.35 -0.56 0.00 0.00 175.26 174.49 2rq8 n PRO 28 N 3.32 0.09 0.29 4.30 -0.04 -1.26 -2.90 135.00 138.80 2rq8 n PRO 28 Ca 0.16 0.21 0.19 0.00 -0.04 0.00 0.00 63.50 64.03 2rq8 n PRO 28 Cb 0.56 -1.50 1.02 0.00 -0.04 0.00 0.00 33.50 33.54 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 -4.66 3.54 3.58 -1.94 -3.43 116.42 113.51 2rq8 h ASP 29 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 2rq8 h ASP 29 Cb 0.20 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.14 2rq8 h ASP 29 CO 0.00 0.00 -0.41 1.33 -2.88 0.00 0.00 179.24 177.28 2rq8 n VAL 30 N -2.87 0.00 -4.47 2.25 0.24 -1.14 -5.18 118.33 107.17 2rq8 n VAL 30 Ca -0.02 -2.08 -0.24 0.00 -2.04 0.00 0.00 64.34 59.96 2rq8 n VAL 30 Cb 0.09 0.61 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 2rq8 n VAL 30 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2rq8 s HIS 31 N -2.77 1.78 0.35 6.34 3.76 -1.26 -5.02 115.29 118.46 2rq8 s HIS 31 Ca 0.10 -1.26 0.06 0.00 -0.15 0.00 0.00 55.06 53.82 2rq8 s HIS 31 Cb 0.01 -1.11 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 2rq8 s HIS 31 CO 0.07 -0.30 0.23 0.20 -0.85 0.00 0.00 174.74 174.09 2rq8 s GLY 32 N -3.54 2.37 -0.04 -2.22 0.00 -1.26 -2.25 107.32 100.38 2rq8 s GLY 32 Ca 0.28 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.12 2rq8 s GLY 32 CO 0.15 -1.57 0.16 1.20 0.00 0.00 0.00 173.10 173.05 2rq8 s GLN 33 N -3.55 0.32 -0.24 2.90 -0.21 0.89 -4.99 119.66 114.77 2rq8 s GLN 33 Ca 0.36 -0.01 -0.09 0.00 0.02 0.00 0.00 55.36 55.65 2rq8 s GLN 33 Cb 0.03 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 34.14 2rq8 s GLN 33 CO 0.23 -0.06 0.11 -1.58 -2.12 0.00 0.00 175.29 171.87 2rq8 s TRP 34 N -0.49 3.19 -0.02 0.91 0.52 -1.26 -0.90 118.94 120.89 2rq8 s TRP 34 Ca -0.06 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.06 2rq8 s TRP 34 Cb -0.04 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 2rq8 s TRP 34 CO 0.01 -0.13 -0.25 0.21 0.02 0.00 0.00 176.95 176.82 2rq8 s LYS 35 N 1.27 2.04 0.00 4.98 2.20 0.09 -3.45 119.74 126.87 2rq8 s LYS 35 Ca 0.06 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 2rq8 s LYS 35 Cb -0.14 -1.94 -0.01 0.00 -1.51 0.00 0.00 37.83 34.23 2rq8 s LYS 35 CO 0.05 0.52 0.01 -1.17 -0.36 0.00 0.00 175.35 174.39 2rq8 s LEU 36 N -0.54 2.02 0.59 5.43 2.96 -1.26 -2.57 118.68 125.31 2rq8 s LEU 36 Ca 0.08 -0.16 0.29 0.00 -0.22 0.00 0.00 54.13 54.12 2rq8 s LEU 36 Cb -0.10 0.10 1.62 0.00 0.50 0.00 0.00 46.19 48.31 2rq8 s LEU 36 CO -0.01 -0.12 2.06 0.50 -1.32 0.00 0.00 176.35 177.46 2rq8 h LYS 37 N 5.54 0.00 0.08 1.98 1.63 -1.98 -3.03 116.57 120.80 2rq8 h LYS 37 Ca -0.27 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2rq8 h LYS 37 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2rq8 h LYS 37 CO 0.46 0.00 -0.04 0.78 -3.45 0.00 0.00 179.45 177.21 2rq8 h GLY 38 N 0.00 -0.11 -1.42 5.01 0.00 -1.97 -3.46 103.07 101.12 2rq8 h GLY 38 Ca 0.11 0.04 -0.51 0.00 0.00 0.00 0.00 47.33 46.97 2rq8 h GLY 38 CO -0.00 -0.04 0.36 1.20 0.00 0.00 0.00 176.54 178.06 2rq8 s GLN 39 N -2.06 2.90 -0.00 4.80 -1.52 -1.15 -4.99 119.66 117.63 2rq8 s GLN 39 Ca -0.02 1.05 -0.24 0.00 -1.95 0.00 0.00 55.36 54.20 2rq8 s GLN 39 Cb 0.00 -1.98 -0.18 0.00 -0.22 0.00 0.00 33.01 30.63 2rq8 s GLN 39 CO 0.05 -1.13 1.29 -1.00 -0.25 0.00 0.00 175.29 174.25 2rq8 h PRO 40 N -0.54 0.13 0.00 2.91 0.13 -1.89 -3.40 132.00 129.33 2rq8 h PRO 40 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2rq8 h PRO 40 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rq8 h PRO 40 CO 0.56 0.58 0.00 1.28 -0.23 0.00 0.00 178.00 180.19 2rq8 n LEU 41 N -4.75 0.00 -4.91 1.56 4.77 -1.26 -4.91 117.00 107.50 2rq8 n LEU 41 Ca -0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 2rq8 n LEU 41 Cb 0.29 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2rq8 n LEU 41 CO 0.36 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.94 2rq8 s ALA 42 N -1.68 3.30 -0.88 -1.18 0.00 -1.22 -4.33 121.76 115.77 2rq8 s ALA 42 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 2rq8 s ALA 42 Cb 0.00 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.46 2rq8 s ALA 42 CO 0.00 -0.63 0.76 0.00 0.00 0.00 0.00 175.76 175.89 2rq8 n ALA 43 N -2.49 -0.99 -0.89 0.00 0.00 -1.26 -4.99 120.51 109.88 2rq8 n ALA 43 Ca 0.03 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 2rq8 n ALA 43 Cb 0.56 -3.35 0.15 0.00 0.00 0.00 0.00 19.45 16.82 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 -3.39 3.17 0.00 0.00 0.01 -1.26 -4.89 113.70 107.34 2rq8 s SER 44 Ca 0.30 1.93 0.14 0.00 1.31 0.00 0.00 55.95 59.63 2rq8 s SER 44 Cb -0.13 -2.48 0.67 0.00 0.21 0.00 0.00 66.02 64.29 2rq8 s SER 44 CO 0.49 -2.90 1.43 -0.81 0.41 0.00 0.00 173.24 171.85 2rq8 n PRO 45 N -4.09 0.10 -0.09 12.44 -0.04 -1.26 -2.02 135.00 140.04 2rq8 n PRO 45 Ca 0.09 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.80 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 -1.40 2.41 -4.22 3.54 9.92 -1.26 -5.03 116.55 120.51 2rq8 n ASP 46 Ca 0.05 -2.36 -0.13 0.00 -0.53 0.00 0.00 54.79 51.82 2rq8 n ASP 46 Cb 0.14 -0.19 -0.10 0.00 -0.64 0.00 0.00 41.12 40.33 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rq8 s GLU 48 N -3.97 0.69 -0.32 0.00 2.02 -1.15 -4.50 118.70 111.46 2rq8 s GLU 48 Ca 0.26 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2rq8 s GLU 48 Cb 0.07 -0.79 0.07 0.00 0.10 0.00 0.00 34.13 33.58 2rq8 s GLU 48 CO 0.05 -0.13 0.03 0.42 0.02 0.00 0.00 175.26 175.65 2rq8 s ILE 49 N 1.12 2.75 -0.09 -1.63 1.01 -1.26 -2.04 121.20 121.06 2rq8 s ILE 49 Ca -0.08 -1.76 0.02 0.00 0.00 0.00 0.00 60.65 58.82 2rq8 s ILE 49 Cb -0.14 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2rq8 s ILE 49 CO -0.01 -0.31 -0.14 -0.63 0.00 0.00 0.00 174.94 173.84 2rq8 s ILE 50 N 1.13 2.99 -0.37 2.92 -1.09 -0.58 -4.99 121.20 121.21 2rq8 s ILE 50 Ca 0.00 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 2rq8 s ILE 50 Cb -0.20 -2.21 0.10 0.00 -1.58 0.00 0.00 42.46 38.56 2rq8 s ILE 50 CO -0.04 0.55 0.12 -1.83 -1.23 0.00 0.00 174.94 172.51 2rq8 s GLU 51 N -0.10 1.80 -0.54 2.79 -1.05 -1.26 -0.51 118.70 119.83 2rq8 s GLU 51 Ca -0.02 -1.81 -0.16 0.00 -0.15 0.00 0.00 54.97 52.83 2rq8 s GLU 51 Cb -0.14 -3.38 0.13 0.00 -0.44 0.00 0.00 34.13 30.30 2rq8 s GLU 51 CO 0.04 -0.98 0.50 0.34 0.95 0.00 0.00 175.26 176.11 2rq8 s ASP 52 N 1.37 6.19 1.01 0.83 2.15 -0.65 -4.92 116.67 122.66 2rq8 s ASP 52 Ca 0.08 -1.78 0.00 0.00 0.43 0.00 0.00 52.55 51.28 2rq8 s ASP 52 Cb -0.21 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2rq8 s ASP 52 CO -0.06 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 2rq8 n GLY 53 N 5.25 1.66 0.39 2.66 0.00 -1.26 -2.71 105.19 111.19 2rq8 n GLY 53 Ca -0.14 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 1.06 -4.10 1.61 0.00 -1.26 -4.58 118.16 110.89 2rq8 n LYS 54 Ca 0.00 -1.31 -0.29 0.00 -0.00 0.00 0.00 58.31 56.71 2rq8 n LYS 54 Cb 0.00 -1.18 -0.07 0.00 -0.00 0.00 0.00 35.03 33.78 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 -0.81 2.71 -0.12 -1.58 -2.85 -1.10 -3.07 119.74 112.92 2rq8 s LYS 55 Ca 0.13 -0.83 -0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2rq8 s LYS 55 Cb 0.08 -2.60 0.03 0.00 -2.06 0.00 0.00 37.83 33.27 2rq8 s LYS 55 CO 0.11 0.53 -0.07 -1.01 0.10 0.00 0.00 175.35 175.01 2rq8 s HIS 56 N -1.47 1.49 -0.15 1.78 3.76 -1.23 -1.64 115.29 117.83 2rq8 s HIS 56 Ca 0.28 -0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 54.36 2rq8 s HIS 56 Cb -0.11 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2rq8 s HIS 56 CO 0.21 -0.53 0.04 -1.50 -0.85 0.00 0.00 174.74 172.11 2rq8 s ILE 57 N 1.71 4.59 -0.11 0.60 1.10 0.34 -3.93 121.20 125.49 2rq8 s ILE 57 Ca 0.04 -0.12 -0.00 0.00 -0.51 0.00 0.00 60.65 60.06 2rq8 s ILE 57 Cb -0.13 -3.02 0.02 0.00 0.15 0.00 0.00 42.46 39.48 2rq8 s ILE 57 CO -0.08 0.52 -0.08 -0.22 -2.11 0.00 0.00 174.94 172.97 2rq8 s LEU 58 N -0.08 1.21 -0.23 8.50 1.98 -1.08 -1.53 118.68 127.45 2rq8 s LEU 58 Ca 0.05 -0.30 -0.09 0.00 -2.89 0.00 0.00 54.13 50.90 2rq8 s LEU 58 Cb -0.12 -0.84 -0.04 0.00 0.66 0.00 0.00 46.19 45.84 2rq8 s LEU 58 CO 0.01 -0.11 0.12 -0.63 -1.89 0.00 0.00 176.35 173.85 2rq8 s ILE 59 N 1.65 5.04 -0.30 6.68 1.01 -0.86 -2.55 121.20 131.86 2rq8 s ILE 59 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 2rq8 s ILE 59 Cb -0.13 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.07 2rq8 s ILE 59 CO -0.08 0.37 0.01 -0.76 0.00 0.00 0.00 174.94 174.48 2rq8 s LEU 60 N 0.97 3.96 0.08 2.97 1.43 -0.87 -2.93 118.68 124.30 2rq8 s LEU 60 Ca 0.06 -1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 51.67 2rq8 s LEU 60 Cb -0.14 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 2rq8 s LEU 60 CO 0.03 -0.27 0.49 -1.00 0.23 0.00 0.00 176.35 175.83 2rq8 s HIS 61 N 1.23 3.68 -0.58 0.29 3.76 -1.24 -2.01 115.29 120.41 2rq8 s HIS 61 Ca -0.04 1.04 -0.00 0.00 -0.15 0.00 0.00 55.06 55.90 2rq8 s HIS 61 Cb -0.20 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.15 2rq8 s HIS 61 CO -0.02 0.54 0.55 0.09 -0.85 0.00 0.00 174.74 175.06 2rq8 n ASN 62 N 1.30 -6.62 -2.32 1.40 3.02 -1.01 -4.90 115.26 106.13 2rq8 n ASN 62 Ca -0.09 -0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 2rq8 n ASN 62 Cb 0.52 -4.43 -0.01 0.00 -0.61 0.00 0.00 39.78 35.25 2rq8 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rq8 n GLN 64 N 0.46 -0.09 -3.62 0.00 6.02 -1.26 -3.72 117.38 115.17 2rq8 n GLN 64 Ca 0.44 -0.44 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2rq8 n GLN 64 Cb 0.55 -0.24 0.04 0.00 1.02 0.00 0.00 30.24 31.61 2rq8 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2rq8 n LEU 65 N 0.00 -3.45 0.00 1.08 7.99 -1.26 -4.95 117.00 116.41 2rq8 n LEU 65 Ca 0.03 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 55.13 2rq8 n LEU 65 Cb 0.12 -2.62 0.00 0.00 -0.11 0.00 0.00 43.42 40.80 2rq8 n LEU 65 CO 0.08 0.38 0.00 0.61 -1.51 0.00 0.00 177.39 176.95 2rq8 n GLY 66 N -1.58 2.69 0.05 -0.72 0.00 -1.26 -5.03 105.19 99.34 2rq8 n GLY 66 Ca -0.16 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2rq8 n GLY 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2rq8 n MET 67 N 0.00 0.65 -3.28 1.61 0.00 -1.26 -4.79 117.12 110.05 2rq8 n MET 67 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 57.70 57.64 2rq8 n MET 67 Cb 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 33.22 31.60 2rq8 n MET 67 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2rq8 s THR 68 N -3.34 -0.71 0.30 3.17 -4.23 -1.26 -1.50 115.64 108.07 2rq8 s THR 68 Ca -0.06 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2rq8 s THR 68 Cb 0.12 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2rq8 s THR 68 CO 0.87 0.00 0.18 -0.83 -0.54 0.00 0.00 174.62 174.30 2rq8 s GLY 69 N 2.81 2.07 -0.14 3.99 0.00 -1.01 -5.00 107.32 110.05 2rq8 s GLY 69 Ca 0.06 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 2rq8 s GLY 69 CO -0.17 -1.56 -0.06 1.85 0.00 0.00 0.00 173.10 173.16 2rq8 s GLU 70 N -3.78 3.48 -0.21 2.90 2.12 -1.26 -0.36 118.70 121.59 2rq8 s GLU 70 Ca 0.36 -0.55 -0.13 0.00 0.36 0.00 0.00 54.97 55.01 2rq8 s GLU 70 Cb 0.05 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 2rq8 s GLU 70 CO 0.19 0.30 0.26 0.54 -0.54 0.00 0.00 175.26 176.01 2rq8 s VAL 71 N 0.18 5.30 -0.19 3.70 0.11 -0.40 -4.74 120.40 124.34 2rq8 s VAL 71 Ca -0.03 0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 59.39 2rq8 s VAL 71 Cb -0.14 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 2rq8 s VAL 71 CO 0.03 0.32 0.02 -0.44 -3.33 0.00 0.00 175.10 171.70 2rq8 s SER 72 N 0.93 5.07 -0.05 3.54 0.01 -1.06 -1.55 113.70 120.59 2rq8 s SER 72 Ca 0.13 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2rq8 s SER 72 Cb -0.14 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.25 2rq8 s SER 72 CO 0.05 0.10 -0.08 0.12 0.41 0.00 0.00 173.24 173.84 2rq8 s PHE 73 N 0.78 1.06 -0.26 2.43 5.36 0.75 -0.73 117.98 127.37 2rq8 s PHE 73 Ca 0.01 -0.35 -0.08 0.00 -0.96 0.00 0.00 56.93 55.55 2rq8 s PHE 73 Cb -0.14 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 2rq8 s PHE 73 CO 0.02 -0.22 0.10 -0.65 -1.46 0.00 0.00 175.22 173.01 2rq8 s GLN 74 N 0.78 3.73 -0.49 10.12 1.11 -0.07 -1.96 119.66 132.88 2rq8 s GLN 74 Ca -0.13 -0.44 0.01 0.00 0.01 0.00 0.00 55.36 54.81 2rq8 s GLN 74 Cb -0.15 -3.40 0.13 0.00 -1.01 0.00 0.00 33.01 28.57 2rq8 s GLN 74 CO 0.02 -0.18 0.26 0.00 0.01 0.00 0.00 175.29 175.40 2rq8 s ALA 75 N 1.62 3.28 -0.67 6.09 0.00 -1.14 -0.08 121.76 130.86 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 0.05 -1.94 0.66 0.00 0.00 0.00 0.00 175.76 174.54 2rq8 n ALA 76 N 3.69 -2.65 -3.99 0.00 0.00 -0.96 -3.01 120.51 113.60 2rq8 n ALA 76 Ca 0.04 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 2rq8 n ALA 76 Cb 0.37 -1.98 0.01 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.46 -4.03 -4.21 0.00 4.13 -1.26 -4.88 115.26 103.54 2rq8 n ASN 77 Ca -0.01 -0.85 -0.25 0.00 1.68 0.00 0.00 54.58 55.14 2rq8 n ASN 77 Cb 0.52 -3.56 -0.15 0.00 -1.54 0.00 0.00 39.78 35.05 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2rq8 s THR 78 N -3.35 1.54 -0.30 3.41 2.01 -1.16 -5.08 115.64 112.71 2rq8 s THR 78 Ca 0.62 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2rq8 s THR 78 Cb -0.32 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 2rq8 s THR 78 CO 0.86 0.30 0.43 -0.54 -0.69 0.00 0.00 174.62 174.98 2rq8 s LYS 79 N -0.79 3.85 -0.08 4.92 3.01 -1.26 -2.90 119.74 126.48 2rq8 s LYS 79 Ca 0.07 -0.05 0.00 0.00 -1.01 0.00 0.00 55.97 54.98 2rq8 s LYS 79 Cb -0.08 -3.72 0.02 0.00 -1.01 0.00 0.00 37.83 33.04 2rq8 s LYS 79 CO 0.00 -0.42 -0.05 -1.12 0.51 0.00 0.00 175.35 174.27 2rq8 s SER 80 N 1.67 1.61 -0.03 2.83 0.01 -0.83 -5.01 113.70 113.96 2rq8 s SER 80 Ca 0.16 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2rq8 s SER 80 Cb -0.16 -0.62 0.02 0.00 0.21 0.00 0.00 66.02 65.47 2rq8 s SER 80 CO 0.11 -0.10 -0.02 0.00 0.41 0.00 0.00 173.24 173.63 2rq8 s ALA 81 N 1.42 0.44 0.14 1.44 0.00 -1.26 -0.18 121.76 123.76 2rq8 s ALA 81 Ca -0.02 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.02 2rq8 s ALA 81 Cb -0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2rq8 s ALA 81 CO -0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 175.76 175.59 2rq8 s ALA 82 N 0.74 1.55 0.12 0.00 0.00 -0.60 -4.97 121.76 118.60 2rq8 s ALA 82 Ca -0.08 -1.41 -0.24 0.00 0.00 0.00 0.00 51.96 50.23 2rq8 s ALA 82 Cb -0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.90 2rq8 s ALA 82 CO -0.01 0.02 0.73 1.21 0.00 0.00 0.00 175.76 177.71 2rq8 s ASN 83 N -2.83 7.28 -0.21 0.00 3.84 -1.26 -1.28 114.94 120.48 2rq8 s ASN 83 Ca 0.13 1.51 -0.01 0.00 0.21 0.00 0.00 52.86 54.71 2rq8 s ASN 83 Cb -0.02 -2.46 0.01 0.00 -0.55 0.00 0.00 41.25 38.24 2rq8 s ASN 83 CO 0.03 0.18 -0.12 -0.22 -2.79 0.00 0.00 177.10 174.18 2rq8 s LEU 84 N -0.91 2.61 -0.41 3.21 1.98 0.51 -2.70 118.68 122.98 2rq8 s LEU 84 Ca 0.35 -0.63 -0.11 0.00 -2.89 0.00 0.00 54.13 50.85 2rq8 s LEU 84 Cb -0.22 -1.60 0.06 0.00 0.66 0.00 0.00 46.19 45.09 2rq8 s LEU 84 CO 0.24 -0.04 0.25 -0.75 -1.89 0.00 0.00 176.35 174.16 2rq8 s LYS 85 N 1.35 2.73 -0.22 1.98 2.20 -0.67 -2.39 119.74 124.73 2rq8 s LYS 85 Ca 0.04 -1.29 -0.18 0.00 -0.36 0.00 0.00 55.97 54.17 2rq8 s LYS 85 Cb -0.14 -3.79 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 2rq8 s LYS 85 CO -0.08 -0.86 0.51 0.08 -0.36 0.00 0.00 175.35 174.65 2rq8 s VAL 86 N 1.50 5.10 -0.09 4.02 1.01 -0.56 -1.17 120.40 130.20 2rq8 s VAL 86 Ca 0.02 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 2rq8 s VAL 86 Cb -0.22 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2rq8 s VAL 86 CO 0.04 0.15 0.02 -0.75 0.00 0.00 0.00 175.10 174.57 2rq8 s LYS 87 N 1.81 3.03 0.04 2.72 2.36 0.51 -4.73 119.74 125.47 2rq8 s LYS 87 Ca 0.23 -0.38 -0.29 0.00 -2.55 0.00 0.00 55.97 52.98 2rq8 s LYS 87 Cb -0.15 -2.84 -0.04 0.00 -1.05 0.00 0.00 37.83 33.75 2rq8 s LYS 87 CO 0.09 0.71 0.94 -2.00 1.55 0.00 0.00 175.35 176.65 2rq8 s GLU 88 N -0.91 4.60 -0.23 4.03 2.12 -1.26 -1.10 118.70 125.95 2rq8 s GLU 88 Ca 0.14 1.38 -0.28 0.00 0.36 0.00 0.00 54.97 56.56 2rq8 s GLU 88 Cb -0.11 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 2rq8 s GLU 88 CO 0.03 0.06 2.08 -0.51 -0.54 0.00 0.00 175.26 176.38 2rq8 s LEU 89 N 0.60 3.53 -0.50 2.70 1.43 -1.26 -4.89 118.68 120.29 2rq8 s LEU 89 Ca 0.49 1.79 0.08 0.00 -1.03 0.00 0.00 54.13 55.45 2rq8 s LEU 89 Cb -0.22 -3.52 0.28 0.00 0.03 0.00 0.00 46.19 42.77 2rq8 s LEU 89 CO 0.28 -1.83 0.70 -0.11 0.23 0.00 0.00 176.35 175.62 2rq8 n LEU 90 N 11.01 2.13 -4.63 1.79 7.94 -1.26 -5.10 117.00 128.89 2rq8 n LEU 90 Ca 0.27 -5.15 -0.48 0.00 -1.11 0.00 0.00 56.01 49.54 2rq8 n LEU 90 Cb 0.45 0.04 -0.05 0.00 0.53 0.00 0.00 43.42 44.40 2rq8 n LEU 90 CO 0.67 2.15 0.99 1.21 -1.11 0.00 0.00 177.39 181.30 2rq8 n GLU 91 N 0.77 1.62 0.01 1.96 2.13 -1.26 -4.88 120.64 120.99 2rq8 n GLU 91 Ca 0.26 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2rq8 n GLU 91 Cb 0.49 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.95 2rq8 n GLU 91 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2rq8 n HIS 92 N 2.57 -0.05 -3.60 4.31 1.44 -1.26 -5.14 115.22 113.49 2rq8 n HIS 92 Ca 0.16 0.01 -0.04 0.00 -2.01 0.00 0.00 57.72 55.84 2rq8 n HIS 92 Cb 0.25 0.04 -0.02 0.00 0.12 0.00 0.00 29.99 30.38 2rq8 n HIS 92 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2rq8 s HIS 93 N -2.00 -0.11 0.43 -1.40 -3.43 -1.26 -5.17 115.29 102.35 2rq8 s HIS 93 Ca 0.00 0.08 -0.10 0.00 -0.80 0.00 0.00 55.06 54.23 2rq8 s HIS 93 Cb 0.00 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.60 2rq8 s HIS 93 CO 0.00 -0.17 0.80 -3.38 -2.00 0.00 0.00 174.74 169.98 2rq8 s HIS 94 N -2.30 3.49 0.00 0.38 -3.43 -1.26 -5.00 115.29 107.17 2rq8 s HIS 94 Ca 0.10 1.05 0.00 0.00 -0.80 0.00 0.00 55.06 55.41 2rq8 s HIS 94 Cb -0.01 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.68 2rq8 s HIS 94 CO -0.04 -0.18 0.00 1.58 -2.00 0.00 0.00 174.74 174.10 2rq8 n HIS 95 N -1.52 0.00 -1.57 0.38 -0.00 -1.26 -5.08 115.22 106.16 2rq8 n HIS 95 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.37 2rq8 n HIS 95 Cb 0.54 0.01 0.05 0.00 -0.00 0.00 0.00 29.99 30.59 2rq8 n HIS 95 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2rq8 n HIS 96 N -2.07 0.43 0.25 1.57 1.44 -1.26 -5.36 115.22 110.22 2rq8 n HIS 96 Ca 0.00 0.45 0.02 0.00 -2.01 0.00 0.00 57.72 56.18 2rq8 n HIS 96 Cb 0.26 -2.09 0.12 0.00 0.12 0.00 0.00 29.99 28.40 2rq8 n HIS 96 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11