#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq8 n LEU 1 N 0.00 -5.55 -4.48 4.03 7.99 -1.26 -5.00 117.00 112.73 2rq8 n LEU 1 Ca 0.00 0.15 -0.32 0.00 -0.01 0.00 0.00 56.01 55.83 2rq8 n LEU 1 Cb 0.00 -2.65 -0.13 0.00 -0.11 0.00 0.00 43.42 40.53 2rq8 n LEU 1 CO 0.00 -1.26 -0.46 -0.63 -1.51 0.00 0.00 177.39 173.53 2rq8 s ILE 2 N -2.24 3.03 -0.05 -0.08 1.01 -1.26 -5.12 121.20 116.49 2rq8 s ILE 2 Ca 0.27 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2rq8 s ILE 2 Cb -0.05 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2rq8 s ILE 2 CO 0.82 0.55 -0.11 -0.70 0.00 0.00 0.00 174.94 175.49 2rq8 s GLU 3 N -0.86 1.39 -0.23 2.79 2.12 -1.26 -4.97 118.70 117.68 2rq8 s GLU 3 Ca 0.12 -0.38 -0.36 0.00 0.36 0.00 0.00 54.97 54.71 2rq8 s GLU 3 Cb -0.11 -1.21 -0.13 0.00 0.26 0.00 0.00 34.13 32.95 2rq8 s GLU 3 CO 0.01 0.08 1.94 0.28 -0.54 0.00 0.00 175.26 177.03 2rq8 n VAL 4 N 3.57 0.37 0.14 3.70 0.31 -1.26 -4.83 118.33 120.33 2rq8 n VAL 4 Ca -0.21 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 63.85 2rq8 n VAL 4 Cb 0.53 -1.61 -0.08 0.00 -0.91 0.00 0.00 33.84 31.77 2rq8 n VAL 4 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2rq8 h GLU 5 N 9.64 -0.34 -2.71 5.55 4.57 -0.62 -3.40 114.58 127.27 2rq8 h GLU 5 Ca -0.41 0.02 -0.60 0.00 -1.18 0.00 0.00 59.36 57.19 2rq8 h GLU 5 Cb 1.30 0.08 -0.40 0.00 -0.16 0.00 0.00 28.75 29.57 2rq8 h GLU 5 CO 0.98 -0.02 -0.80 0.21 -1.18 0.00 0.00 179.01 178.19 2rq8 s LYS 6 N -4.69 1.46 0.95 1.92 2.20 -0.46 -4.92 119.74 116.19 2rq8 s LYS 6 Ca -0.14 -2.46 -0.16 0.00 -0.36 0.00 0.00 55.97 52.84 2rq8 s LYS 6 Cb 0.02 -2.21 0.24 0.00 -1.51 0.00 0.00 37.83 34.37 2rq8 s LYS 6 CO 0.56 -1.31 0.84 -0.35 -0.36 0.00 0.00 175.35 174.73 2rq8 n PRO 7 N 2.72 -2.67 -3.60 4.03 -0.04 -1.26 -2.40 135.00 131.78 2rq8 n PRO 7 Ca 0.22 -1.35 -0.39 0.00 -0.04 0.00 0.00 63.50 61.94 2rq8 n PRO 7 Cb 0.41 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 5.68 0.00 1.53 1.02 -1.26 -4.90 118.68 120.75 2rq8 s LEU 8 Ca 0.55 -2.94 0.14 0.00 0.02 0.00 0.00 54.13 51.90 2rq8 s LEU 8 Cb -0.05 -1.96 0.69 0.00 0.02 0.00 0.00 46.19 44.89 2rq8 s LEU 8 CO 0.42 -0.39 1.42 -0.81 0.02 0.00 0.00 176.35 177.01 2rq8 n PRO 9 N 3.45 0.13 0.00 1.29 -0.04 -1.26 -4.38 135.00 134.18 2rq8 n PRO 9 Ca 0.11 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2rq8 n PRO 9 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.04 -0.44 3.89 0.55 0.00 -1.26 -4.85 105.19 103.03 2rq8 n GLY 10 Ca 0.06 0.79 -0.32 0.00 0.00 0.00 0.00 46.02 46.55 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 5.12 -0.05 1.61 1.01 -1.16 -5.01 120.40 121.91 2rq8 s VAL 11 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.24 2rq8 s VAL 11 Cb 0.00 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 2rq8 s VAL 11 CO 0.00 0.10 -0.19 -1.61 0.00 0.00 0.00 175.10 173.40 2rq8 s GLU 12 N -2.45 2.03 0.27 2.72 2.02 -1.26 -1.71 118.70 120.30 2rq8 s GLU 12 Ca 0.39 -0.67 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 2rq8 s GLU 12 Cb -0.12 -1.72 -0.00 0.00 0.10 0.00 0.00 34.13 32.38 2rq8 s GLU 12 CO 0.22 0.25 0.46 0.14 0.02 0.00 0.00 175.26 176.36 2rq8 s VAL 13 N 0.07 0.00 0.57 2.63 -7.23 -1.01 -4.82 120.40 110.61 2rq8 s VAL 13 Ca -0.06 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2rq8 s VAL 13 Cb -0.13 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2rq8 s VAL 13 CO 0.03 0.00 0.82 -0.36 -0.31 0.00 0.00 175.10 175.28 2rq8 s PHE 14 N -3.78 2.95 -0.33 2.82 0.08 -1.26 -0.21 117.98 118.26 2rq8 s PHE 14 Ca 0.25 0.16 -0.29 0.00 0.12 0.00 0.00 56.93 57.17 2rq8 s PHE 14 Cb -0.00 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2rq8 s PHE 14 CO 0.11 -0.90 1.19 0.08 -0.10 0.00 0.00 175.22 175.60 2rq8 s VAL 15 N -2.85 4.30 -1.32 -0.44 1.01 -0.77 -3.88 120.40 116.45 2rq8 s VAL 15 Ca 0.56 1.46 -0.04 0.00 0.00 0.00 0.00 61.98 63.96 2rq8 s VAL 15 Cb -0.10 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 2rq8 s VAL 15 CO 0.40 -0.53 0.58 0.61 0.00 0.00 0.00 175.10 176.16 2rq8 n GLY 16 N 4.19 -0.41 0.00 4.51 0.00 -1.25 -4.88 105.19 107.34 2rq8 n GLY 16 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.31 0.00 -4.29 1.61 -0.58 -1.25 -4.47 120.64 107.36 2rq8 n GLU 17 Ca -0.26 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.28 2rq8 n GLU 17 Cb 0.66 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.41 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 0.50 1.12 -0.26 2.62 2.01 -1.26 -2.74 115.64 117.62 2rq8 s THR 18 Ca 0.00 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.89 2rq8 s THR 18 Cb 0.00 -1.04 0.08 0.00 0.01 0.00 0.00 72.50 71.55 2rq8 s THR 18 CO 0.00 -0.08 0.01 0.00 -0.69 0.00 0.00 174.62 173.86 2rq8 s ALA 19 N -1.00 1.85 -0.26 7.40 0.00 0.94 -4.02 121.76 126.66 2rq8 s ALA 19 Ca 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 2rq8 s ALA 19 Cb -0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2rq8 s ALA 19 CO 0.02 -1.38 0.13 -1.01 0.00 0.00 0.00 175.76 173.52 2rq8 s HIS 20 N 1.45 3.17 -0.10 0.00 3.76 -1.26 -1.37 115.29 120.94 2rq8 s HIS 20 Ca 0.01 -0.09 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2rq8 s HIS 20 Cb -0.18 -2.30 0.02 0.00 1.11 0.00 0.00 32.58 31.23 2rq8 s HIS 20 CO -0.12 -0.21 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.43 2rq8 s PHE 21 N 1.57 1.42 -0.02 1.40 0.08 -1.10 -4.89 117.98 116.44 2rq8 s PHE 21 Ca 0.07 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.45 2rq8 s PHE 21 Cb -0.15 -1.17 0.01 0.00 -0.57 0.00 0.00 43.02 41.14 2rq8 s PHE 21 CO 0.07 -0.47 -0.03 -1.83 -0.10 0.00 0.00 175.22 172.87 2rq8 s GLU 22 N 1.56 0.43 0.20 0.44 1.03 -1.26 -1.89 118.70 119.21 2rq8 s GLU 22 Ca 0.02 -0.06 -0.05 0.00 0.03 0.00 0.00 54.97 54.91 2rq8 s GLU 22 Cb -0.13 -0.49 -0.03 0.00 -0.80 0.00 0.00 34.13 32.68 2rq8 s GLU 22 CO -0.06 -0.03 0.23 0.96 -1.33 0.00 0.00 175.26 175.03 2rq8 s ILE 23 N 0.52 0.02 0.04 1.83 -0.00 -1.24 -4.83 121.20 117.55 2rq8 s ILE 23 Ca -0.06 -1.76 0.09 0.00 -0.00 0.00 0.00 60.65 58.92 2rq8 s ILE 23 Cb -0.09 -2.28 -0.03 0.00 -0.00 0.00 0.00 42.46 40.07 2rq8 s ILE 23 CO -0.01 -0.10 -0.24 -1.61 -0.00 0.00 0.00 174.94 172.98 2rq8 s GLU 24 N -4.08 1.66 0.00 0.37 8.01 -1.01 -2.98 118.70 120.67 2rq8 s GLU 24 Ca 0.30 -1.04 0.00 0.00 0.01 0.00 0.00 54.97 54.24 2rq8 s GLU 24 Cb 0.05 -1.81 0.00 0.00 -4.31 0.00 0.00 34.13 28.06 2rq8 s GLU 24 CO 0.08 0.47 0.21 1.28 0.01 0.00 0.00 175.26 177.31 2rq8 n LEU 25 N 1.83 0.43 -1.73 1.80 4.77 -1.26 0.03 117.00 122.86 2rq8 n LEU 25 Ca -0.17 -0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 55.00 2rq8 n LEU 25 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2rq8 n LEU 25 CO 0.23 0.11 -0.20 -0.24 -1.33 0.00 0.00 177.39 175.96 2rq8 n SER 26 N -0.39 -5.16 -3.23 -1.43 2.88 -1.26 -4.48 113.62 100.56 2rq8 n SER 26 Ca 0.00 0.38 -0.18 0.00 -1.33 0.00 0.00 58.87 57.74 2rq8 n SER 26 Cb 0.02 -4.53 -0.07 0.00 -0.75 0.00 0.00 64.21 58.89 2rq8 n SER 26 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2rq8 s GLU 27 N -3.92 0.86 -0.77 -1.46 -6.30 -1.26 -5.04 118.70 100.81 2rq8 s GLU 27 Ca 0.00 -1.48 -0.10 0.00 -2.50 0.00 0.00 54.97 50.89 2rq8 s GLU 27 Cb 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 34.13 33.17 2rq8 s GLU 27 CO 0.00 -1.32 1.94 -0.35 0.02 0.00 0.00 175.26 175.55 2rq8 n PRO 28 N 3.29 1.67 0.00 4.30 -0.04 -1.26 -3.63 135.00 139.33 2rq8 n PRO 28 Ca 0.21 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 2rq8 n PRO 28 Cb 0.49 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 2rq8 n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq8 n ASP 29 N 5.34 2.06 -4.89 3.54 8.00 -1.26 -4.91 116.55 124.42 2rq8 n ASP 29 Ca 0.42 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.62 2rq8 n ASP 29 Cb 0.20 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 2rq8 n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rq8 s VAL 30 N -1.47 5.18 -2.23 2.53 1.01 -1.24 -5.00 120.40 119.18 2rq8 s VAL 30 Ca 0.00 -0.54 0.21 0.00 0.00 0.00 0.00 61.98 61.65 2rq8 s VAL 30 Cb 0.00 -3.55 0.50 0.00 0.00 0.00 0.00 36.38 33.33 2rq8 s VAL 30 CO 0.00 0.09 1.45 1.41 0.00 0.00 0.00 175.10 178.05 2rq8 n HIS 31 N 0.15 0.64 -1.36 5.22 8.25 -1.26 -5.01 115.22 121.85 2rq8 n HIS 31 Ca -0.06 -0.32 0.17 0.00 -0.26 0.00 0.00 57.72 57.25 2rq8 n HIS 31 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 2rq8 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rq8 n GLY 32 N 1.47 -2.20 2.95 -1.41 0.00 -1.26 -4.93 105.19 99.81 2rq8 n GLY 32 Ca 0.20 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 2rq8 n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq8 s GLN 33 N -2.95 0.11 -0.15 1.61 -0.21 -0.70 -4.93 119.66 112.44 2rq8 s GLN 33 Ca 0.00 0.67 -0.08 0.00 0.02 0.00 0.00 55.36 55.97 2rq8 s GLN 33 Cb 0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.85 2rq8 s GLN 33 CO 0.00 -0.28 0.13 -1.58 -2.12 0.00 0.00 175.29 171.44 2rq8 s TRP 34 N 2.29 3.52 0.01 0.91 0.52 -1.26 -0.93 118.94 124.00 2rq8 s TRP 34 Ca 0.01 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.62 2rq8 s TRP 34 Cb -0.12 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 2rq8 s TRP 34 CO -0.08 0.57 -0.13 0.21 0.02 0.00 0.00 176.95 177.55 2rq8 s LYS 35 N -0.55 0.94 0.02 4.98 2.20 0.79 -3.78 119.74 124.35 2rq8 s LYS 35 Ca 0.12 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2rq8 s LYS 35 Cb -0.12 -0.92 -0.01 0.00 -1.51 0.00 0.00 37.83 35.27 2rq8 s LYS 35 CO 0.02 0.24 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.68 2rq8 s LEU 36 N -0.59 2.13 -1.12 5.43 2.01 -1.26 -2.86 118.68 122.42 2rq8 s LEU 36 Ca 0.03 -0.31 -0.21 0.00 0.01 0.00 0.00 54.13 53.65 2rq8 s LEU 36 Cb -0.06 -0.23 -0.07 0.00 0.01 0.00 0.00 46.19 45.85 2rq8 s LEU 36 CO 0.00 -0.06 1.92 1.17 1.01 0.00 0.00 176.35 180.39 2rq8 n LYS 37 N 2.24 1.96 0.00 1.70 3.00 -1.26 -2.69 118.16 123.12 2rq8 n LYS 37 Ca -0.18 -2.46 0.00 0.00 -0.00 0.00 0.00 58.31 55.68 2rq8 n LYS 37 Cb 0.56 -3.43 0.00 0.00 0.00 0.00 0.00 35.03 32.16 2rq8 n LYS 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2rq8 n GLY 38 N 5.23 0.20 3.91 3.14 0.00 -1.26 -5.15 105.19 111.26 2rq8 n GLY 38 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.27 2rq8 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rq8 s GLN 39 N 0.00 3.25 0.09 1.61 -1.52 -1.09 -5.04 119.66 116.96 2rq8 s GLN 39 Ca 0.00 -0.84 -0.16 0.00 -1.95 0.00 0.00 55.36 52.42 2rq8 s GLN 39 Cb 0.00 -2.78 -0.09 0.00 -0.22 0.00 0.00 33.01 29.91 2rq8 s GLN 39 CO 0.00 0.44 1.41 -1.00 -0.25 0.00 0.00 175.29 175.88 2rq8 h PRO 40 N 1.46 0.64 0.00 2.91 0.13 -2.02 -3.45 132.00 131.68 2rq8 h PRO 40 Ca -0.50 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2rq8 h PRO 40 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2rq8 h PRO 40 CO 0.62 0.94 0.00 1.47 -0.23 0.00 0.00 178.00 180.80 2rq8 n LEU 41 N -4.32 0.00 -4.90 1.56 -0.00 -1.26 -5.08 117.00 103.00 2rq8 n LEU 41 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.69 2rq8 n LEU 41 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.89 2rq8 n LEU 41 CO 0.44 0.00 0.56 0.00 -0.00 0.00 0.00 177.39 178.39 2rq8 s ALA 42 N -1.15 3.25 -0.79 1.47 0.00 -1.25 -4.32 121.76 118.99 2rq8 s ALA 42 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 2rq8 s ALA 42 Cb 0.00 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.41 2rq8 s ALA 42 CO 0.00 -0.70 0.69 0.00 0.00 0.00 0.00 175.76 175.75 2rq8 n ALA 43 N -2.57 -0.81 -0.80 0.00 0.00 -1.26 -4.99 120.51 110.08 2rq8 n ALA 43 Ca 0.04 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2rq8 n ALA 43 Cb 0.56 -3.28 0.17 0.00 0.00 0.00 0.00 19.45 16.90 2rq8 n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2rq8 s SER 44 N -3.25 2.83 0.00 0.00 1.04 -1.26 -4.88 113.70 108.18 2rq8 s SER 44 Ca 0.31 1.94 0.15 0.00 0.48 0.00 0.00 55.95 58.83 2rq8 s SER 44 Cb -0.14 -2.47 0.68 0.00 0.10 0.00 0.00 66.02 64.19 2rq8 s SER 44 CO 0.43 -3.11 1.43 -0.81 0.98 0.00 0.00 173.24 172.15 2rq8 n PRO 45 N -4.23 0.11 -0.03 4.02 -0.04 -1.26 -2.31 135.00 131.27 2rq8 n PRO 45 Ca 0.09 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.79 2rq8 n PRO 45 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2rq8 n PRO 45 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rq8 n ASP 46 N -1.38 1.13 -4.89 3.54 2.03 -1.26 -5.00 116.55 110.71 2rq8 n ASP 46 Ca 0.05 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.16 2rq8 n ASP 46 Cb 0.14 1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 42.06 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rq8 s GLU 48 N -4.15 0.60 -0.41 0.00 2.02 -1.13 -4.49 118.70 111.14 2rq8 s GLU 48 Ca 0.49 -0.05 -0.10 0.00 0.02 0.00 0.00 54.97 55.33 2rq8 s GLU 48 Cb -0.04 -1.33 0.06 0.00 0.10 0.00 0.00 34.13 32.92 2rq8 s GLU 48 CO 0.28 -0.41 0.25 0.42 0.02 0.00 0.00 175.26 175.82 2rq8 s ILE 49 N 1.95 4.37 -0.09 -1.63 1.01 -1.26 -2.39 121.20 123.16 2rq8 s ILE 49 Ca 0.03 -1.22 0.01 0.00 0.00 0.00 0.00 60.65 59.47 2rq8 s ILE 49 Cb -0.14 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2rq8 s ILE 49 CO -0.06 -0.43 -0.13 -0.63 0.00 0.00 0.00 174.94 173.69 2rq8 s ILE 50 N 1.47 3.13 -0.52 2.92 -1.09 -0.92 -5.02 121.20 121.18 2rq8 s ILE 50 Ca 0.03 -0.66 -0.08 0.00 -2.23 0.00 0.00 60.65 57.70 2rq8 s ILE 50 Cb -0.22 -2.28 0.13 0.00 -1.58 0.00 0.00 42.46 38.51 2rq8 s ILE 50 CO 0.04 0.56 0.38 -0.70 -1.23 0.00 0.00 174.94 173.98 2rq8 s GLU 51 N -0.17 2.53 -0.42 2.79 2.56 -1.26 -2.05 118.70 122.68 2rq8 s GLU 51 Ca -0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 54.97 52.90 2rq8 s GLU 51 Cb -0.13 -3.90 0.05 0.00 2.00 0.00 0.00 34.13 32.14 2rq8 s GLU 51 CO 0.03 -1.19 0.30 0.16 -0.56 0.00 0.00 175.26 174.00 2rq8 s ASP 52 N 2.26 5.96 0.89 -1.70 -4.77 -1.09 -4.92 116.67 113.30 2rq8 s ASP 52 Ca 0.09 -1.15 0.00 0.00 -3.30 0.00 0.00 52.55 48.19 2rq8 s ASP 52 Cb -0.24 -2.11 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 2rq8 s ASP 52 CO -0.02 -0.51 0.00 0.61 0.70 0.00 0.00 175.17 175.95 2rq8 n GLY 53 N 5.10 1.35 0.00 2.12 0.00 -1.26 -2.48 105.19 110.01 2rq8 n GLY 53 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.37 -2.80 1.61 0.00 -1.26 -4.51 118.16 112.58 2rq8 n LYS 54 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 2rq8 n LYS 54 Cb 0.00 -0.90 -0.03 0.00 -0.00 0.00 0.00 35.03 34.10 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 -1.80 3.81 -0.16 -1.58 0.00 -1.04 -4.16 119.74 114.81 2rq8 s LYS 55 Ca 0.00 0.55 0.01 0.00 0.00 0.00 0.00 55.97 56.53 2rq8 s LYS 55 Cb 0.00 -2.35 0.02 0.00 0.00 0.00 0.00 37.83 35.50 2rq8 s LYS 55 CO 0.00 -0.07 -0.16 -1.01 0.00 0.00 0.00 175.35 174.11 2rq8 s HIS 56 N -2.40 2.36 -0.15 1.78 3.76 -1.16 -2.67 115.29 116.82 2rq8 s HIS 56 Ca 0.52 -1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 2rq8 s HIS 56 Cb -0.10 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 2rq8 s HIS 56 CO 0.31 -0.70 0.04 -1.50 -0.85 0.00 0.00 174.74 172.04 2rq8 s ILE 57 N 1.37 4.59 -0.10 0.60 1.10 -0.87 -3.61 121.20 124.28 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 -0.10 0.52 -0.07 -0.22 -2.11 0.00 0.00 174.94 172.95 2rq8 s LEU 58 N -0.07 1.16 -0.31 8.50 1.98 -0.79 -2.16 118.68 126.99 2rq8 s LEU 58 Ca 0.05 -0.28 -0.11 0.00 -2.89 0.00 0.00 54.13 50.90 2rq8 s LEU 58 Cb -0.12 -0.80 -0.03 0.00 0.66 0.00 0.00 46.19 45.90 2rq8 s LEU 58 CO 0.01 -0.11 0.20 -0.63 -1.89 0.00 0.00 176.35 173.93 2rq8 s ILE 59 N 1.64 5.15 -0.19 6.68 -1.09 -1.00 -2.73 121.20 129.67 2rq8 s ILE 59 Ca 0.03 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.37 2rq8 s ILE 59 Cb -0.13 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2rq8 s ILE 59 CO -0.07 0.13 -0.14 -0.76 -1.23 0.00 0.00 174.94 172.87 2rq8 s LEU 60 N 1.72 2.43 0.12 2.97 1.43 -0.47 -2.83 118.68 124.04 2rq8 s LEU 60 Ca 0.06 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 2rq8 s LEU 60 Cb -0.17 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2rq8 s LEU 60 CO 0.10 0.01 0.40 -1.00 0.23 0.00 0.00 176.35 176.08 2rq8 s HIS 61 N 1.29 3.52 -0.48 0.29 3.76 -1.26 -0.04 115.29 122.36 2rq8 s HIS 61 Ca 0.04 0.69 -0.09 0.00 -0.15 0.00 0.00 55.06 55.54 2rq8 s HIS 61 Cb -0.14 -2.10 0.01 0.00 1.11 0.00 0.00 32.58 31.47 2rq8 s HIS 61 CO -0.08 0.46 0.57 0.09 -0.85 0.00 0.00 174.74 174.93 2rq8 n ASN 62 N 0.48 -7.30 -2.93 1.40 5.03 -1.11 -4.94 115.26 105.88 2rq8 n ASN 62 Ca -0.05 0.30 -0.32 0.00 0.87 0.00 0.00 54.58 55.38 2rq8 n ASN 62 Cb 0.52 -4.92 -0.00 0.00 -1.02 0.00 0.00 39.78 34.35 2rq8 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rq8 n GLN 64 N -0.33 2.46 0.33 0.00 10.64 -1.26 -3.92 117.38 125.30 2rq8 n GLN 64 Ca 0.40 -2.80 0.22 0.00 -1.83 0.00 0.00 57.00 52.99 2rq8 n GLN 64 Cb 0.42 -2.11 1.17 0.00 -0.86 0.00 0.00 30.24 28.85 2rq8 n GLN 64 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2rq8 h LEU 65 N 2.77 0.00 0.00 2.61 7.12 -1.90 -3.48 115.31 122.43 2rq8 h LEU 65 Ca 0.49 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.50 2rq8 h LEU 65 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 2rq8 h LEU 65 CO 1.23 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 180.15 2rq8 n GLY 66 N -1.03 0.81 0.34 3.75 0.00 -1.26 -4.80 105.19 102.99 2rq8 n GLY 66 Ca -0.03 -1.75 0.23 0.00 0.00 0.00 0.00 46.02 44.47 2rq8 n GLY 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2rq8 h MET 67 N 0.00 0.00 -1.58 1.61 2.86 -1.93 -3.43 114.93 112.47 2rq8 h MET 67 Ca 0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2rq8 h MET 67 Cb 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.42 2rq8 h MET 67 CO 0.00 0.00 0.50 0.95 1.06 0.00 0.00 176.91 179.42 2rq8 s THR 68 N -4.13 0.00 0.04 2.22 -4.23 -1.26 -3.79 115.64 104.49 2rq8 s THR 68 Ca -0.05 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.52 2rq8 s THR 68 Cb 0.13 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.95 2rq8 s THR 68 CO 0.42 0.00 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.50 2rq8 s GLY 69 N -0.53 0.95 -0.36 3.99 0.00 -0.61 -4.90 107.32 105.85 2rq8 s GLY 69 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 43.66 2rq8 s GLY 69 CO -0.02 -0.88 0.26 1.85 0.00 0.00 0.00 173.10 174.31 2rq8 s GLU 70 N -1.12 3.32 -0.11 2.90 2.12 -1.26 -0.07 118.70 124.47 2rq8 s GLU 70 Ca 0.05 -0.77 -0.12 0.00 0.36 0.00 0.00 54.97 54.49 2rq8 s GLU 70 Cb -0.08 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 2rq8 s GLU 70 CO 0.01 -0.54 0.26 0.54 -0.54 0.00 0.00 175.26 174.99 2rq8 s VAL 71 N 1.70 5.31 -0.17 3.70 0.11 -1.12 -4.81 120.40 125.12 2rq8 s VAL 71 Ca 0.06 0.49 -0.02 0.00 -2.93 0.00 0.00 61.98 59.57 2rq8 s VAL 71 Cb -0.18 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2rq8 s VAL 71 CO 0.10 0.51 -0.10 -0.94 -3.33 0.00 0.00 175.10 171.34 2rq8 s SER 72 N -0.35 4.13 -0.06 3.54 1.04 -1.14 -3.02 113.70 117.84 2rq8 s SER 72 Ca 0.17 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 2rq8 s SER 72 Cb -0.13 -1.66 0.04 0.00 0.10 0.00 0.00 66.02 64.36 2rq8 s SER 72 CO 0.06 0.09 0.11 0.12 0.98 0.00 0.00 173.24 174.60 2rq8 s PHE 73 N 0.79 -0.08 -0.16 5.02 5.36 -0.44 -0.15 117.98 128.34 2rq8 s PHE 73 Ca -0.04 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2rq8 s PHE 73 Cb -0.15 -0.31 0.03 0.00 -0.34 0.00 0.00 43.02 42.24 2rq8 s PHE 73 CO 0.01 -0.21 -0.14 1.14 -1.46 0.00 0.00 175.22 174.56 2rq8 s GLN 74 N 2.01 2.26 -0.09 10.12 0.00 -0.10 -1.59 119.66 132.27 2rq8 s GLN 74 Ca 0.01 -0.61 0.04 0.00 -0.00 0.00 0.00 55.36 54.81 2rq8 s GLN 74 Cb -0.12 -2.16 -0.01 0.00 0.00 0.00 0.00 33.01 30.72 2rq8 s GLN 74 CO -0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 175.29 174.75 2rq8 s ALA 75 N 1.47 2.24 -1.25 2.60 0.00 -1.01 -1.72 121.76 124.09 2rq8 s ALA 75 Ca 0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 2rq8 s ALA 75 Cb -0.13 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.17 2rq8 s ALA 75 CO -0.10 0.33 1.08 0.00 0.00 0.00 0.00 175.76 177.07 2rq8 n ALA 76 N 3.30 -1.50 -1.21 0.00 0.00 -1.26 -1.25 120.51 118.60 2rq8 n ALA 76 Ca -0.18 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 2rq8 n ALA 76 Cb 0.53 -4.29 -0.03 0.00 0.00 0.00 0.00 19.45 15.66 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 -2.91 -5.19 -4.86 0.00 4.13 -1.26 -4.93 115.26 100.24 2rq8 n ASN 77 Ca -0.09 0.18 -0.36 0.00 1.68 0.00 0.00 54.58 55.99 2rq8 n ASN 77 Cb 0.59 -3.33 -0.06 0.00 -1.54 0.00 0.00 39.78 35.45 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 -1.83 5.18 -0.30 3.41 2.01 -0.38 -5.07 115.64 118.65 2rq8 s THR 78 Ca 0.00 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.30 2rq8 s THR 78 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2rq8 s THR 78 CO 0.00 0.44 0.44 -0.54 -0.69 0.00 0.00 174.62 174.27 2rq8 s LYS 79 N -1.51 3.84 -0.07 4.92 3.01 -1.26 -2.41 119.74 126.26 2rq8 s LYS 79 Ca 0.26 -0.03 0.00 0.00 -1.01 0.00 0.00 55.97 55.19 2rq8 s LYS 79 Cb -0.14 -3.72 0.02 0.00 -1.01 0.00 0.00 37.83 32.98 2rq8 s LYS 79 CO 0.14 -0.44 -0.05 -1.12 0.51 0.00 0.00 175.35 174.39 2rq8 s SER 80 N 1.67 1.45 0.05 2.83 0.01 -0.62 -5.01 113.70 114.08 2rq8 s SER 80 Ca 0.17 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.30 2rq8 s SER 80 Cb -0.16 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 2rq8 s SER 80 CO 0.11 -0.09 -0.11 0.00 0.41 0.00 0.00 173.24 173.55 2rq8 s ALA 81 N 1.33 0.89 0.09 1.44 0.00 -1.26 -1.32 121.76 122.93 2rq8 s ALA 81 Ca -0.04 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2rq8 s ALA 81 Cb -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2rq8 s ALA 81 CO -0.03 0.10 0.20 0.00 0.00 0.00 0.00 175.76 176.04 2rq8 s ALA 82 N -1.16 -0.28 -0.09 0.00 0.00 -1.17 -4.86 121.76 114.20 2rq8 s ALA 82 Ca -0.04 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 2rq8 s ALA 82 Cb -0.09 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 2rq8 s ALA 82 CO 0.01 -0.51 0.27 1.21 0.00 0.00 0.00 175.76 176.74 2rq8 s ASN 83 N -2.83 6.54 -0.27 0.00 3.84 -1.26 -2.80 114.94 118.16 2rq8 s ASN 83 Ca 0.04 0.64 -0.09 0.00 0.21 0.00 0.00 52.86 53.66 2rq8 s ASN 83 Cb 0.04 -2.16 -0.03 0.00 -0.55 0.00 0.00 41.25 38.55 2rq8 s ASN 83 CO -0.11 0.28 0.12 -0.22 -2.79 0.00 0.00 177.10 174.38 2rq8 s LEU 84 N -0.56 3.72 -0.45 3.21 1.98 0.90 -2.98 118.68 124.50 2rq8 s LEU 84 Ca 0.18 -0.19 -0.16 0.00 -2.89 0.00 0.00 54.13 51.07 2rq8 s LEU 84 Cb -0.14 -2.00 0.05 0.00 0.66 0.00 0.00 46.19 44.76 2rq8 s LEU 84 CO 0.07 -0.06 0.39 -0.75 -1.89 0.00 0.00 176.35 174.10 2rq8 s LYS 85 N 1.66 3.00 -0.00 1.98 2.20 -0.70 -1.57 119.74 126.32 2rq8 s LYS 85 Ca 0.06 -1.12 -0.28 0.00 -0.36 0.00 0.00 55.97 54.27 2rq8 s LYS 85 Cb -0.16 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 2rq8 s LYS 85 CO 0.06 -0.92 0.91 0.08 -0.36 0.00 0.00 175.35 175.12 2rq8 s VAL 86 N 1.79 4.86 -0.03 4.02 1.01 -1.25 -2.41 120.40 128.41 2rq8 s VAL 86 Ca 0.06 1.91 0.04 0.00 0.00 0.00 0.00 61.98 63.99 2rq8 s VAL 86 Cb -0.21 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2rq8 s VAL 86 CO 0.09 0.21 -0.15 -0.54 0.00 0.00 0.00 175.10 174.71 2rq8 s LYS 87 N 0.81 2.40 0.80 2.72 -0.14 0.71 -4.91 119.74 122.13 2rq8 s LYS 87 Ca 0.48 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 54.21 2rq8 s LYS 87 Cb -0.20 -2.33 0.08 0.00 -1.68 0.00 0.00 37.83 33.69 2rq8 s LYS 87 CO 0.26 0.60 1.13 -1.21 -0.76 0.00 0.00 175.35 175.37 2rq8 s GLU 88 N -0.91 1.89 -0.25 1.68 8.01 -1.26 -1.86 118.70 126.01 2rq8 s GLU 88 Ca 0.12 1.41 -0.19 0.00 0.01 0.00 0.00 54.97 56.33 2rq8 s GLU 88 Cb -0.11 -1.84 -0.02 0.00 -4.31 0.00 0.00 34.13 27.85 2rq8 s GLU 88 CO 0.02 -1.96 0.57 -0.51 0.01 0.00 0.00 175.26 173.39 2rq8 s LEU 89 N -5.91 4.07 0.03 1.80 1.02 -1.26 -4.82 118.68 113.61 2rq8 s LEU 89 Ca 0.66 0.64 -0.07 0.00 0.02 0.00 0.00 54.13 55.38 2rq8 s LEU 89 Cb -0.21 -2.76 -0.01 0.00 0.02 0.00 0.00 46.19 43.23 2rq8 s LEU 89 CO 0.53 -0.31 0.12 -1.48 0.02 0.00 0.00 176.35 175.23 2rq8 s LEU 90 N 2.30 1.67 -0.71 1.79 0.05 -1.26 -5.11 118.68 117.41 2rq8 s LEU 90 Ca 0.24 -0.41 -0.04 0.00 0.05 0.00 0.00 54.13 53.97 2rq8 s LEU 90 Cb -0.16 0.67 0.18 0.00 -2.05 0.00 0.00 46.19 44.84 2rq8 s LEU 90 CO 0.09 -0.47 0.55 -1.61 -0.55 0.00 0.00 176.35 174.36 2rq8 s GLU 91 N -2.23 2.84 1.06 1.48 2.02 -1.26 -5.08 118.70 117.52 2rq8 s GLU 91 Ca -0.08 -2.69 -0.12 0.00 0.02 0.00 0.00 54.97 52.10 2rq8 s GLU 91 Cb -0.03 -3.86 0.22 0.00 0.10 0.00 0.00 34.13 30.56 2rq8 s GLU 91 CO -0.03 -1.21 1.07 -3.38 0.02 0.00 0.00 175.26 171.73 2rq8 s HIS 92 N -0.33 1.62 -0.02 1.61 -3.43 -1.26 -5.01 115.29 108.47 2rq8 s HIS 92 Ca 0.19 1.30 -0.01 0.00 -0.80 0.00 0.00 55.06 55.75 2rq8 s HIS 92 Cb -0.16 -3.17 -0.00 0.00 -1.43 0.00 0.00 32.58 27.81 2rq8 s HIS 92 CO -0.06 -3.34 -0.01 0.45 -2.00 0.00 0.00 174.74 169.78 2rq8 h HIS 93 N -2.24 0.00 -3.96 0.38 3.86 -2.09 -3.50 115.15 107.60 2rq8 h HIS 93 Ca -0.55 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.52 2rq8 h HIS 93 Cb 1.31 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.68 2rq8 h HIS 93 CO 0.34 0.00 -0.25 -3.38 0.86 0.00 0.00 177.93 175.51 2rq8 s HIS 94 N -1.15 0.68 -0.22 2.45 -3.43 -1.26 -5.16 115.29 107.20 2rq8 s HIS 94 Ca -0.01 -0.99 -0.05 0.00 -0.80 0.00 0.00 55.06 53.22 2rq8 s HIS 94 Cb 0.00 -0.03 0.11 0.00 -1.43 0.00 0.00 32.58 31.23 2rq8 s HIS 94 CO 0.01 -0.94 0.41 -1.58 -2.00 0.00 0.00 174.74 170.64 2rq8 s HIS 95 N -3.85 -0.86 -0.10 0.38 5.04 -1.26 -5.15 115.29 109.49 2rq8 s HIS 95 Ca 0.28 1.24 -0.05 0.00 -1.54 0.00 0.00 55.06 54.99 2rq8 s HIS 95 Cb 0.01 0.20 -0.04 0.00 0.04 0.00 0.00 32.58 32.79 2rq8 s HIS 95 CO 0.12 -0.61 0.09 -1.58 -2.34 0.00 0.00 174.74 170.43 2rq8 s HIS 96 N 2.60 3.44 -2.00 3.88 2.46 -1.26 -5.31 115.29 119.10 2rq8 s HIS 96 Ca 0.06 0.40 0.17 0.00 0.47 0.00 0.00 55.06 56.16 2rq8 s HIS 96 Cb -0.14 -1.88 1.04 0.00 -0.13 0.00 0.00 32.58 31.48 2rq8 s HIS 96 CO -0.15 0.64 1.44 0.72 -2.47 0.00 0.00 174.74 174.93