#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 3.00 -0.20 4.03 1.43 -1.26 -5.10 118.68 120.57 2rq8 s LEU 1 Ca 0.00 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 51.87 2rq8 s LEU 1 Cb 0.00 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 2rq8 s LEU 1 CO 0.00 -0.23 0.86 -0.63 0.23 0.00 0.00 176.35 176.58 2rq8 s ILE 2 N -2.51 4.84 -0.15 -0.59 -1.09 -1.26 -5.04 121.20 115.40 2rq8 s ILE 2 Ca 0.35 1.68 -0.01 0.00 -2.23 0.00 0.00 60.65 60.44 2rq8 s ILE 2 Cb -0.00 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 2rq8 s ILE 2 CO 0.19 -0.03 -0.11 -1.83 -1.23 0.00 0.00 174.94 171.93 2rq8 s GLU 3 N 2.51 3.39 0.29 2.79 -1.05 -1.26 -5.02 118.70 120.34 2rq8 s GLU 3 Ca 0.38 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 54.24 2rq8 s GLU 3 Cb -0.16 -2.70 -0.10 0.00 -0.44 0.00 0.00 34.13 30.73 2rq8 s GLU 3 CO 0.10 0.14 1.38 0.54 0.95 0.00 0.00 175.26 178.37 2rq8 s VAL 4 N 0.56 2.67 -0.05 1.83 0.11 -1.26 -4.57 120.40 119.68 2rq8 s VAL 4 Ca -0.07 0.61 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 2rq8 s VAL 4 Cb -0.15 -3.39 -0.25 0.00 -1.53 0.00 0.00 36.38 31.06 2rq8 s VAL 4 CO 0.03 0.12 0.63 -0.08 -3.33 0.00 0.00 175.10 172.47 2rq8 h GLU 5 N 4.22 0.14 -1.53 1.54 4.22 -0.74 -3.44 114.58 119.00 2rq8 h GLU 5 Ca -0.47 -0.23 -0.35 0.00 0.08 0.00 0.00 59.36 58.39 2rq8 h GLU 5 Cb 1.22 0.09 -0.26 0.00 0.50 0.00 0.00 28.75 30.30 2rq8 h GLU 5 CO 0.72 0.87 -0.71 1.63 -2.18 0.00 0.00 179.01 179.33 2rq8 n LYS 6 N -3.28 0.42 -1.06 1.92 5.02 -1.21 -4.90 118.16 115.07 2rq8 n LYS 6 Ca -0.21 -2.52 -0.30 0.00 -2.02 0.00 0.00 58.31 53.25 2rq8 n LYS 6 Cb 1.05 -1.54 0.25 0.00 -0.02 0.00 0.00 35.03 34.77 2rq8 n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rq8 s PRO 7 N 0.45 -1.47 -0.68 1.97 0.04 -1.26 -2.91 135.00 131.15 2rq8 s PRO 7 Ca 0.32 -0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.19 2rq8 s PRO 7 Cb 0.04 -1.57 0.17 0.00 0.04 0.00 0.00 34.50 33.17 2rq8 s PRO 7 CO -0.12 -3.86 0.50 -0.48 0.04 0.00 0.00 177.00 173.07 2rq8 s LEU 8 N -7.01 5.18 0.00 -3.56 2.34 -1.26 -4.90 118.68 109.46 2rq8 s LEU 8 Ca 0.72 -3.12 0.15 0.00 0.06 0.00 0.00 54.13 51.93 2rq8 s LEU 8 Cb -0.08 -1.83 0.70 0.00 -0.56 0.00 0.00 46.19 44.42 2rq8 s LEU 8 CO 0.56 -0.30 1.43 -0.81 -1.06 0.00 0.00 176.35 176.17 2rq8 n PRO 9 N 3.10 0.14 0.00 1.48 -0.04 -1.26 -4.60 135.00 133.82 2rq8 n PRO 9 Ca 0.11 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2rq8 n PRO 9 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.03 -0.42 3.87 0.55 0.00 -1.26 -4.80 105.19 103.10 2rq8 n GLY 10 Ca 0.06 0.82 -0.35 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 5.33 -0.11 1.61 1.01 -1.22 -5.06 120.40 121.95 2rq8 s VAL 11 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2rq8 s VAL 11 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2rq8 s VAL 11 CO 0.00 0.44 -0.21 -1.83 0.00 0.00 0.00 175.10 173.49 2rq8 s GLU 12 N -1.58 2.82 -0.13 2.72 -1.05 -1.26 -2.45 118.70 117.77 2rq8 s GLU 12 Ca 0.22 -0.79 -0.14 0.00 -0.15 0.00 0.00 54.97 54.12 2rq8 s GLU 12 Cb -0.12 -2.23 0.04 0.00 -0.44 0.00 0.00 34.13 31.37 2rq8 s GLU 12 CO 0.13 0.05 0.38 0.14 0.95 0.00 0.00 175.26 176.91 2rq8 s VAL 13 N 0.65 0.00 1.22 1.83 -7.23 -1.04 -4.93 120.40 110.92 2rq8 s VAL 13 Ca -0.12 -0.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.82 2rq8 s VAL 13 Cb -0.16 -0.55 0.30 0.00 0.56 0.00 0.00 36.38 36.52 2rq8 s VAL 13 CO 0.03 -0.02 0.67 0.49 -0.31 0.00 0.00 175.10 175.96 2rq8 n PHE 14 N 2.72 -3.27 -3.61 2.82 3.72 -1.26 -2.09 117.46 116.49 2rq8 n PHE 14 Ca -0.14 -0.53 -0.36 0.00 -0.05 0.00 0.00 57.45 56.37 2rq8 n PHE 14 Cb 0.57 -1.18 -0.07 0.00 -0.94 0.00 0.00 39.48 37.86 2rq8 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2rq8 s VAL 15 N -1.99 5.34 -1.41 -4.37 0.11 0.40 -4.30 120.40 114.19 2rq8 s VAL 15 Ca 0.52 0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 59.89 2rq8 s VAL 15 Cb -0.09 -3.57 0.08 0.00 -1.53 0.00 0.00 36.38 31.27 2rq8 s VAL 15 CO 0.44 0.42 0.63 0.61 -3.33 0.00 0.00 175.10 173.87 2rq8 n GLY 16 N 3.31 -0.49 0.00 6.54 0.00 -1.26 -4.85 105.19 108.45 2rq8 n GLY 16 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.01 0.00 -4.35 1.61 -0.58 -1.26 -4.33 120.64 107.72 2rq8 n GLU 17 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 2rq8 n GLU 17 Cb 0.54 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.27 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 1.11 1.08 -0.26 2.62 2.01 -1.26 -2.80 115.64 118.14 2rq8 s THR 18 Ca 0.00 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 2rq8 s THR 18 Cb 0.00 -0.98 0.08 0.00 0.01 0.00 0.00 72.50 71.61 2rq8 s THR 18 CO 0.00 0.00 0.03 0.00 -0.69 0.00 0.00 174.62 173.96 2rq8 s ALA 19 N -0.84 1.72 -0.18 7.40 0.00 0.23 -4.31 121.76 125.77 2rq8 s ALA 19 Ca 0.01 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.47 2rq8 s ALA 19 Cb -0.08 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2rq8 s ALA 19 CO 0.01 -1.39 0.02 -1.01 0.00 0.00 0.00 175.76 173.39 2rq8 s HIS 20 N 1.51 3.15 -0.09 0.00 3.76 -1.26 -0.53 115.29 121.84 2rq8 s HIS 20 Ca 0.02 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 54.81 2rq8 s HIS 20 Cb -0.18 -2.04 0.03 0.00 1.11 0.00 0.00 32.58 31.49 2rq8 s HIS 20 CO -0.13 0.04 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.70 2rq8 s PHE 21 N 0.47 1.06 -0.04 1.40 0.08 -1.07 -4.95 117.98 114.92 2rq8 s PHE 21 Ca 0.00 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.65 2rq8 s PHE 21 Cb -0.13 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 2rq8 s PHE 21 CO 0.02 -0.39 -0.12 -1.83 -0.10 0.00 0.00 175.22 172.79 2rq8 s GLU 22 N 1.70 1.42 0.19 0.44 -1.05 -1.26 -2.40 118.70 117.74 2rq8 s GLU 22 Ca 0.03 -0.41 -0.05 0.00 -0.15 0.00 0.00 54.97 54.39 2rq8 s GLU 22 Cb -0.13 -1.23 -0.03 0.00 -0.44 0.00 0.00 34.13 32.30 2rq8 s GLU 22 CO -0.06 0.11 0.23 0.96 0.95 0.00 0.00 175.26 177.45 2rq8 s ILE 23 N 0.36 0.03 0.03 1.83 -0.00 -1.25 -4.76 121.20 117.43 2rq8 s ILE 23 Ca -0.08 -1.74 0.08 0.00 -0.00 0.00 0.00 60.65 58.91 2rq8 s ILE 23 Cb -0.12 -2.25 -0.02 0.00 -0.00 0.00 0.00 42.46 40.07 2rq8 s ILE 23 CO 0.02 -0.12 -0.23 -1.61 -0.00 0.00 0.00 174.94 172.99 2rq8 s GLU 24 N -4.08 1.67 0.00 0.37 2.02 -1.14 -3.47 118.70 114.07 2rq8 s GLU 24 Ca 0.29 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2rq8 s GLU 24 Cb 0.05 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2rq8 s GLU 24 CO 0.08 0.46 0.15 1.28 0.02 0.00 0.00 175.26 177.24 2rq8 n LEU 25 N 2.03 0.29 -1.70 1.80 7.99 -1.24 -0.05 117.00 126.11 2rq8 n LEU 25 Ca -0.17 -0.61 -0.20 0.00 -0.01 0.00 0.00 56.01 55.03 2rq8 n LEU 25 Cb 0.52 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.76 2rq8 n LEU 25 CO 0.23 0.07 -0.21 -0.24 -1.51 0.00 0.00 177.39 175.74 2rq8 n SER 26 N -0.63 -5.49 -3.16 -1.43 2.88 -1.26 -4.63 113.62 99.90 2rq8 n SER 26 Ca 0.00 0.39 -0.08 0.00 -1.33 0.00 0.00 58.87 57.85 2rq8 n SER 26 Cb 0.01 -4.71 -0.03 0.00 -0.75 0.00 0.00 64.21 58.73 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2rq8 s GLU 27 N -3.98 0.84 0.00 -1.46 -1.05 -1.26 -4.99 118.70 106.80 2rq8 s GLU 27 Ca 0.00 -0.79 0.15 0.00 -0.15 0.00 0.00 54.97 54.18 2rq8 s GLU 27 Cb 0.00 -0.30 0.76 0.00 -0.44 0.00 0.00 34.13 34.15 2rq8 s GLU 27 CO 0.00 -1.24 1.40 -0.35 0.95 0.00 0.00 175.26 176.02 2rq8 n PRO 28 N 3.87 0.23 -1.15 -4.83 -0.04 -1.26 -3.48 135.00 128.33 2rq8 n PRO 28 Ca 0.14 0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.53 2rq8 n PRO 28 Cb 0.53 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.27 6.50 -1.97 3.54 8.00 -1.26 -4.85 116.55 125.23 2rq8 n ASP 29 Ca 0.07 -3.14 -0.07 0.00 0.71 0.00 0.00 54.79 52.37 2rq8 n ASP 29 Cb 0.11 -1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 40.07 2rq8 n ASP 29 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2rq8 n VAL 30 N 0.56 0.00 -4.31 2.53 0.24 -1.23 -5.16 118.33 110.96 2rq8 n VAL 30 Ca 0.39 -0.81 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 2rq8 n VAL 30 Cb 0.58 0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 33.33 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 -4.29 0.79 0.29 6.34 3.76 -1.26 -5.05 115.29 115.87 2rq8 s HIS 31 Ca 0.13 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 2rq8 s HIS 31 Cb -0.01 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 2rq8 s HIS 31 CO 0.10 -0.07 0.15 0.20 -0.85 0.00 0.00 174.74 174.26 2rq8 s GLY 32 N 0.14 1.63 -0.08 -2.22 0.00 -1.26 -2.48 107.32 103.05 2rq8 s GLY 32 Ca -0.02 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.06 2rq8 s GLY 32 CO 0.00 -1.60 0.19 1.62 0.00 0.00 0.00 173.10 173.31 2rq8 s GLN 33 N -3.83 0.18 -0.24 2.90 0.74 0.84 -5.00 119.66 115.25 2rq8 s GLN 33 Ca 0.35 0.37 -0.07 0.00 0.05 0.00 0.00 55.36 56.06 2rq8 s GLN 33 Cb -0.06 -0.05 -0.03 0.00 1.10 0.00 0.00 33.01 33.97 2rq8 s GLN 33 CO 0.23 -0.11 0.07 -1.58 -0.55 0.00 0.00 175.29 173.35 2rq8 s TRP 34 N 0.76 3.09 -0.02 1.67 0.52 -1.26 -0.58 118.94 123.12 2rq8 s TRP 34 Ca -0.05 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.73 2rq8 s TRP 34 Cb -0.07 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 2rq8 s TRP 34 CO -0.04 -0.34 -0.24 0.21 0.02 0.00 0.00 176.95 176.56 2rq8 s LYS 35 N 1.54 1.99 0.00 4.98 2.20 -0.05 -3.42 119.74 126.98 2rq8 s LYS 35 Ca 0.06 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 2rq8 s LYS 35 Cb -0.15 -1.90 -0.01 0.00 -1.51 0.00 0.00 37.83 34.26 2rq8 s LYS 35 CO 0.03 0.51 0.00 -0.51 -0.36 0.00 0.00 175.35 175.03 2rq8 s LEU 36 N -0.54 2.04 0.56 5.43 1.43 -1.26 -2.48 118.68 123.86 2rq8 s LEU 36 Ca 0.09 -0.19 0.28 0.00 -1.03 0.00 0.00 54.13 53.28 2rq8 s LEU 36 Cb -0.10 0.09 1.47 0.00 0.03 0.00 0.00 46.19 47.69 2rq8 s LEU 36 CO -0.01 -0.13 1.97 0.50 0.23 0.00 0.00 176.35 178.91 2rq8 h LYS 37 N 5.48 0.00 0.10 1.70 1.63 -1.98 -2.94 116.57 120.56 2rq8 h LYS 37 Ca -0.27 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 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 -0.05 0.78 -3.45 0.00 0.00 179.45 177.19 2rq8 h GLY 38 N 0.00 -0.14 -1.41 5.01 0.00 -1.95 -3.46 103.07 101.13 2rq8 h GLY 38 Ca 0.23 0.05 -0.51 0.00 0.00 0.00 0.00 47.33 47.11 2rq8 h GLY 38 CO -0.00 -0.05 0.36 1.20 0.00 0.00 0.00 176.54 178.05 2rq8 s GLN 39 N -2.37 2.87 0.06 4.80 -1.52 -1.11 -4.99 119.66 117.40 2rq8 s GLN 39 Ca -0.02 1.05 -0.18 0.00 -1.95 0.00 0.00 55.36 54.26 2rq8 s GLN 39 Cb 0.00 -1.98 -0.12 0.00 -0.22 0.00 0.00 33.01 30.69 2rq8 s GLN 39 CO 0.06 -1.16 1.37 -1.00 -0.25 0.00 0.00 175.29 174.32 2rq8 h PRO 40 N -0.58 0.48 0.00 2.91 0.13 -1.89 -3.40 132.00 129.66 2rq8 h PRO 40 Ca -0.44 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2rq8 h PRO 40 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2rq8 h PRO 40 CO 0.56 0.83 0.00 1.47 -0.23 0.00 0.00 178.00 180.62 2rq8 n LEU 41 N -4.45 0.00 -4.91 1.56 -0.00 -1.26 -4.92 117.00 103.02 2rq8 n LEU 41 Ca -0.05 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.68 2rq8 n LEU 41 Cb 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.84 2rq8 n LEU 41 CO 0.41 0.00 0.54 0.00 -0.00 0.00 0.00 177.39 178.34 2rq8 s ALA 42 N -1.33 3.28 -1.03 1.47 0.00 -1.22 -4.25 121.76 118.69 2rq8 s ALA 42 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 2rq8 s ALA 42 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2rq8 s ALA 42 CO 0.00 -0.66 0.58 0.00 0.00 0.00 0.00 175.76 175.68 2rq8 n ALA 43 N -2.53 -0.76 -0.79 0.00 0.00 -1.26 -4.98 120.51 110.18 2rq8 n ALA 43 Ca 0.04 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 2rq8 n ALA 43 Cb 0.56 -3.31 0.17 0.00 0.00 0.00 0.00 19.45 16.87 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 -2.96 2.88 0.00 0.00 1.04 -1.26 -4.88 113.70 108.51 2rq8 s SER 44 Ca 0.29 1.98 0.14 0.00 0.48 0.00 0.00 55.95 58.84 2rq8 s SER 44 Cb -0.13 -2.49 0.67 0.00 0.10 0.00 0.00 66.02 64.17 2rq8 s SER 44 CO 0.36 -3.09 1.43 -0.81 0.98 0.00 0.00 173.24 172.11 2rq8 n PRO 45 N -4.22 0.10 -0.08 4.02 -0.04 -1.26 -1.98 135.00 131.54 2rq8 n PRO 45 Ca 0.10 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2rq8 n PRO 45 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.43 -4.24 3.54 9.92 -1.26 -5.03 116.55 120.52 2rq8 n ASP 46 Ca 0.05 -2.05 -0.13 0.00 -0.53 0.00 0.00 54.79 52.13 2rq8 n ASP 46 Cb 0.14 -0.12 -0.10 0.00 -0.64 0.00 0.00 41.12 40.40 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 -3.96 0.70 -0.32 0.00 2.02 -1.14 -4.47 118.70 111.53 2rq8 s GLU 48 Ca 0.26 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 55.19 2rq8 s GLU 48 Cb 0.07 -0.76 0.07 0.00 0.10 0.00 0.00 34.13 33.61 2rq8 s GLU 48 CO 0.05 -0.10 0.02 0.42 0.02 0.00 0.00 175.26 175.67 2rq8 s ILE 49 N 0.96 2.75 -0.20 -1.63 1.01 -1.26 -2.03 121.20 120.79 2rq8 s ILE 49 Ca -0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 60.65 58.81 2rq8 s ILE 49 Cb -0.14 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 2rq8 s ILE 49 CO -0.00 -0.27 -0.08 -0.63 0.00 0.00 0.00 174.94 173.96 2rq8 s ILE 50 N 1.14 3.09 -0.52 2.92 -1.09 -0.77 -5.01 121.20 120.96 2rq8 s ILE 50 Ca -0.01 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.67 2rq8 s ILE 50 Cb -0.20 -2.38 0.12 0.00 -1.58 0.00 0.00 42.46 38.42 2rq8 s ILE 50 CO -0.04 0.45 0.45 -1.83 -1.23 0.00 0.00 174.94 172.75 2rq8 s GLU 51 N 1.34 2.87 -0.27 2.79 -1.05 -1.26 -1.37 118.70 121.76 2rq8 s GLU 51 Ca 0.04 -1.68 -0.11 0.00 -0.15 0.00 0.00 54.97 53.07 2rq8 s GLU 51 Cb -0.14 -4.19 -0.05 0.00 -0.44 0.00 0.00 34.13 29.31 2rq8 s GLU 51 CO -0.04 -1.26 0.19 0.34 0.95 0.00 0.00 175.26 175.43 2rq8 s ASP 52 N 3.28 6.06 1.39 0.83 2.15 -0.22 -4.94 116.67 125.22 2rq8 s ASP 52 Ca 0.04 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.05 2rq8 s ASP 52 Cb -0.29 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2rq8 s ASP 52 CO 0.03 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2rq8 n GLY 53 N 4.85 1.44 0.44 2.66 0.00 -1.26 -0.07 105.19 113.24 2rq8 n GLY 53 Ca -0.14 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 1.15 -4.09 1.61 0.00 -1.26 -4.45 118.16 111.12 2rq8 n LYS 54 Ca 0.00 -1.36 -0.28 0.00 -0.00 0.00 0.00 58.31 56.66 2rq8 n LYS 54 Cb 0.00 -1.20 -0.06 0.00 -0.00 0.00 0.00 35.03 33.76 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 -0.87 2.79 -0.13 -1.58 -2.85 0.89 -3.70 119.74 114.30 2rq8 s LYS 55 Ca 0.14 -0.83 -0.00 0.00 -1.00 0.00 0.00 55.97 54.28 2rq8 s LYS 55 Cb 0.09 -2.63 0.03 0.00 -2.06 0.00 0.00 37.83 33.26 2rq8 s LYS 55 CO 0.13 0.52 -0.09 -1.01 0.10 0.00 0.00 175.35 175.00 2rq8 s HIS 56 N -1.56 1.65 -0.12 1.78 3.76 -1.23 -1.05 115.29 118.53 2rq8 s HIS 56 Ca 0.29 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 2rq8 s HIS 56 Cb -0.11 -1.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 2rq8 s HIS 56 CO 0.22 -0.56 0.01 -1.50 -0.85 0.00 0.00 174.74 172.06 2rq8 s ILE 57 N 1.65 4.32 -0.10 0.60 1.10 -0.47 -3.76 121.20 124.54 2rq8 s ILE 57 Ca 0.05 -0.23 -0.00 0.00 -0.51 0.00 0.00 60.65 59.96 2rq8 s ILE 57 Cb -0.13 -2.86 0.02 0.00 0.15 0.00 0.00 42.46 39.65 2rq8 s ILE 57 CO -0.09 0.55 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.00 2rq8 s LEU 58 N -0.37 1.21 -0.40 8.50 1.98 -1.01 -1.85 118.68 126.74 2rq8 s LEU 58 Ca 0.07 -0.29 -0.13 0.00 -2.89 0.00 0.00 54.13 50.90 2rq8 s LEU 58 Cb -0.12 -0.81 0.03 0.00 0.66 0.00 0.00 46.19 45.95 2rq8 s LEU 58 CO 0.02 -0.10 0.26 -0.63 -1.89 0.00 0.00 176.35 174.01 2rq8 s ILE 59 N 1.59 4.93 -0.34 6.68 1.01 -0.86 -2.60 121.20 131.61 2rq8 s ILE 59 Ca 0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 2rq8 s ILE 59 Cb -0.13 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2rq8 s ILE 59 CO -0.07 -0.30 0.10 -0.76 0.00 0.00 0.00 174.94 173.92 2rq8 s LEU 60 N 1.62 4.31 0.19 2.97 1.43 0.32 -2.90 118.68 126.60 2rq8 s LEU 60 Ca 0.04 -1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 51.91 2rq8 s LEU 60 Cb -0.19 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 44.10 2rq8 s LEU 60 CO 0.08 -0.33 0.48 -1.00 0.23 0.00 0.00 176.35 175.82 2rq8 s HIS 61 N 1.40 3.46 -0.57 0.29 3.76 -1.26 -0.60 115.29 121.77 2rq8 s HIS 61 Ca -0.02 0.78 -0.02 0.00 -0.15 0.00 0.00 55.06 55.66 2rq8 s HIS 61 Cb -0.20 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.32 2rq8 s HIS 61 CO 0.03 0.35 0.56 0.09 -0.85 0.00 0.00 174.74 174.91 2rq8 n ASN 62 N 0.06 -6.73 -2.51 1.40 3.02 -1.12 -4.92 115.26 104.46 2rq8 n ASN 62 Ca -0.01 0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 2rq8 n ASN 62 Cb 0.52 -4.52 0.04 0.00 -0.61 0.00 0.00 39.78 35.21 2rq8 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rq8 s GLN 64 N -3.30 3.73 0.00 0.00 -0.21 -1.26 -4.16 119.66 114.47 2rq8 s GLN 64 Ca 0.55 -1.85 0.00 0.00 0.02 0.00 0.00 55.36 54.08 2rq8 s GLN 64 Cb 0.43 -5.07 0.00 0.00 1.00 0.00 0.00 33.01 29.37 2rq8 s GLN 64 CO -0.19 -1.88 0.24 1.47 -2.12 0.00 0.00 175.29 172.81 2rq8 n LEU 65 N 6.87 0.00 0.00 2.90 -0.00 -1.26 -5.03 117.00 120.48 2rq8 n LEU 65 Ca 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 2rq8 n LEU 65 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2rq8 n LEU 65 CO 0.57 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 2rq8 n GLY 66 N 0.00 3.59 0.34 1.47 0.00 -1.26 -4.87 105.19 104.45 2rq8 n GLY 66 Ca 0.00 -1.64 0.22 0.00 0.00 0.00 0.00 46.02 44.61 2rq8 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rq8 h MET 67 N 0.00 0.00 -2.48 1.61 -0.00 -1.96 -3.43 114.93 108.68 2rq8 h MET 67 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 2rq8 h MET 67 Cb 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 31.60 31.38 2rq8 h MET 67 CO 0.00 0.00 -0.09 0.95 -0.00 0.00 0.00 176.91 177.77 2rq8 s THR 68 N -4.19 0.01 0.03 -0.10 -4.23 -1.26 -0.76 115.64 105.13 2rq8 s THR 68 Ca -0.05 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2rq8 s THR 68 Cb 0.13 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 2rq8 s THR 68 CO 0.42 -0.03 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.59 2rq8 s GLY 69 N -0.05 0.38 -0.30 3.99 0.00 -0.65 -4.97 107.32 105.73 2rq8 s GLY 69 Ca -0.03 -0.71 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 2rq8 s GLY 69 CO 0.02 -0.78 0.47 1.85 0.00 0.00 0.00 173.10 174.67 2rq8 s GLU 70 N -1.69 3.88 -0.23 2.90 2.12 -1.26 -0.07 118.70 124.35 2rq8 s GLU 70 Ca -0.12 0.05 -0.13 0.00 0.36 0.00 0.00 54.97 55.14 2rq8 s GLU 70 Cb -0.09 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 2rq8 s GLU 70 CO -0.01 -0.44 0.27 0.54 -0.54 0.00 0.00 175.26 175.08 2rq8 s VAL 71 N 2.27 5.28 -0.19 3.70 0.11 -0.73 -4.68 120.40 126.16 2rq8 s VAL 71 Ca 0.18 0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 59.61 2rq8 s VAL 71 Cb -0.16 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2rq8 s VAL 71 CO 0.11 0.29 0.01 -0.94 -3.33 0.00 0.00 175.10 171.24 2rq8 s SER 72 N 1.10 4.96 0.00 3.54 1.04 -1.03 -2.20 113.70 121.11 2rq8 s SER 72 Ca 0.13 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.45 2rq8 s SER 72 Cb -0.14 -1.84 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 2rq8 s SER 72 CO 0.06 0.10 -0.13 0.12 0.98 0.00 0.00 173.24 174.37 2rq8 s PHE 73 N 0.82 1.18 -0.14 5.02 5.36 0.17 -0.87 117.98 129.51 2rq8 s PHE 73 Ca 0.01 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2rq8 s PHE 73 Cb -0.14 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.81 2rq8 s PHE 73 CO 0.02 -0.01 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.98 2rq8 s GLN 74 N -0.48 2.28 -0.48 10.12 -0.21 0.26 -1.26 119.66 129.89 2rq8 s GLN 74 Ca 0.04 -0.56 0.01 0.00 0.02 0.00 0.00 55.36 54.88 2rq8 s GLN 74 Cb -0.06 -2.08 0.13 0.00 1.00 0.00 0.00 33.01 32.00 2rq8 s GLN 74 CO -0.00 -0.22 0.24 0.00 -2.12 0.00 0.00 175.29 173.20 2rq8 s ALA 75 N 1.43 3.25 -0.58 6.09 0.00 -1.20 -0.11 121.76 130.64 2rq8 s ALA 75 Ca 0.04 -2.94 -0.05 0.00 0.00 0.00 0.00 51.96 49.00 2rq8 s ALA 75 Cb -0.13 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2rq8 s ALA 75 CO -0.10 -1.92 0.61 0.00 0.00 0.00 0.00 175.76 174.36 2rq8 n ALA 76 N 3.79 -2.63 -3.51 0.00 0.00 -1.04 -3.23 120.51 113.90 2rq8 n ALA 76 Ca 0.04 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 2rq8 n ALA 76 Cb 0.38 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.22 -3.99 -4.43 0.00 3.02 -1.26 -4.93 115.26 102.45 2rq8 n ASN 77 Ca 0.04 -0.50 -0.31 0.00 -0.03 0.00 0.00 54.58 53.77 2rq8 n ASN 77 Cb 0.47 -3.27 -0.13 0.00 -0.61 0.00 0.00 39.78 36.24 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rq8 s THR 78 N -3.03 2.68 -0.30 3.41 2.01 -1.20 -5.02 115.64 114.19 2rq8 s THR 78 Ca 0.47 -1.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 2rq8 s THR 78 Cb -0.24 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2rq8 s THR 78 CO 0.58 0.44 0.37 -0.54 -0.69 0.00 0.00 174.62 174.78 2rq8 s LYS 79 N -1.11 3.86 -0.07 4.92 3.01 -1.26 -3.21 119.74 125.87 2rq8 s LYS 79 Ca 0.13 -0.12 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 2rq8 s LYS 79 Cb -0.10 -3.71 0.02 0.00 -1.01 0.00 0.00 37.83 33.03 2rq8 s LYS 79 CO 0.03 -0.37 -0.06 -1.12 0.51 0.00 0.00 175.35 174.34 2rq8 s SER 80 N 1.68 1.54 -0.01 2.83 0.01 -0.39 -5.02 113.70 114.35 2rq8 s SER 80 Ca 0.14 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2rq8 s SER 80 Cb -0.16 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2rq8 s SER 80 CO 0.11 -0.08 -0.04 0.00 0.41 0.00 0.00 173.24 173.64 2rq8 s ALA 81 N 1.29 0.40 0.08 1.44 0.00 -1.26 -0.66 121.76 123.05 2rq8 s ALA 81 Ca -0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 2rq8 s ALA 81 Cb -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2rq8 s ALA 81 CO -0.02 0.06 0.15 0.00 0.00 0.00 0.00 175.76 175.95 2rq8 s ALA 82 N 0.16 -0.08 0.02 0.00 0.00 -0.94 -4.99 121.76 115.94 2rq8 s ALA 82 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 2rq8 s ALA 82 Cb -0.05 0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 2rq8 s ALA 82 CO -0.00 -0.49 0.42 -0.80 0.00 0.00 0.00 175.76 174.89 2rq8 s ASN 83 N -2.87 6.81 -0.18 0.00 0.01 -1.26 -1.77 114.94 115.67 2rq8 s ASN 83 Ca 0.06 0.97 -0.02 0.00 -0.71 0.00 0.00 52.86 53.15 2rq8 s ASN 83 Cb 0.05 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 2rq8 s ASN 83 CO -0.11 0.29 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.48 2rq8 s LEU 84 N -1.24 2.86 -0.46 0.60 1.98 0.90 -3.38 118.68 119.94 2rq8 s LEU 84 Ca 0.26 -0.34 -0.16 0.00 -2.89 0.00 0.00 54.13 51.00 2rq8 s LEU 84 Cb -0.16 -1.69 0.05 0.00 0.66 0.00 0.00 46.19 45.05 2rq8 s LEU 84 CO 0.15 0.07 0.42 -0.75 -1.89 0.00 0.00 176.35 174.35 2rq8 s LYS 85 N 0.92 3.02 -0.57 1.98 2.20 -1.02 -1.64 119.74 124.62 2rq8 s LYS 85 Ca -0.01 -1.13 -0.22 0.00 -0.36 0.00 0.00 55.97 54.25 2rq8 s LYS 85 Cb -0.15 -4.08 0.06 0.00 -1.51 0.00 0.00 37.83 32.16 2rq8 s LYS 85 CO 0.00 -0.99 0.83 0.08 -0.36 0.00 0.00 175.35 174.92 2rq8 s VAL 86 N 1.89 4.56 0.38 4.02 1.01 0.06 -2.48 120.40 129.83 2rq8 s VAL 86 Ca 0.07 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 2rq8 s VAL 86 Cb -0.21 -4.51 -0.10 0.00 0.00 0.00 0.00 36.38 31.56 2rq8 s VAL 86 CO 0.09 -1.13 0.96 -0.75 0.00 0.00 0.00 175.10 174.27 2rq8 s LYS 87 N 3.47 4.36 -0.32 2.72 2.36 -0.89 -4.69 119.74 126.75 2rq8 s LYS 87 Ca 0.21 1.26 -0.17 0.00 -2.55 0.00 0.00 55.97 54.73 2rq8 s LYS 87 Cb -0.17 -2.48 -0.02 0.00 -1.05 0.00 0.00 37.83 34.11 2rq8 s LYS 87 CO 0.13 0.07 0.47 -1.21 1.55 0.00 0.00 175.35 176.36 2rq8 s GLU 88 N -2.62 3.77 -0.30 4.03 2.02 -1.26 -0.46 118.70 123.88 2rq8 s GLU 88 Ca 0.57 -0.07 -0.35 0.00 0.02 0.00 0.00 54.97 55.14 2rq8 s GLU 88 Cb -0.15 -3.75 -0.11 0.00 0.10 0.00 0.00 34.13 30.22 2rq8 s GLU 88 CO 0.20 -0.50 2.11 1.28 0.02 0.00 0.00 175.26 178.36 2rq8 n LEU 89 N 5.58 2.36 -3.89 1.80 4.32 -1.26 -4.93 117.00 120.98 2rq8 n LEU 89 Ca -0.06 0.53 -0.23 0.00 -0.02 0.00 0.00 56.01 56.23 2rq8 n LEU 89 Cb 0.49 -1.28 -0.17 0.00 -1.62 0.00 0.00 43.42 40.85 2rq8 n LEU 89 CO 0.42 -0.62 -0.42 -0.76 -1.22 0.00 0.00 177.39 174.79 2rq8 s LEU 90 N 6.62 1.18 -0.66 2.23 1.43 -1.26 -5.06 118.68 123.16 2rq8 s LEU 90 Ca 1.06 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 54.02 2rq8 s LEU 90 Cb -0.83 -0.60 0.30 0.00 0.03 0.00 0.00 46.19 45.08 2rq8 s LEU 90 CO 0.50 -0.09 0.95 -0.62 0.23 0.00 0.00 176.35 177.32 2rq8 n GLU 91 N 4.47 3.15 -2.50 1.70 4.71 -1.26 -4.82 120.64 126.08 2rq8 n GLU 91 Ca -0.18 -4.76 -0.18 0.00 -0.01 0.00 0.00 57.16 52.03 2rq8 n GLU 91 Cb 0.51 -2.28 0.02 0.00 -1.01 0.00 0.00 31.44 28.68 2rq8 n GLU 91 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2rq8 n HIS 92 N 0.32 2.40 -0.05 -0.32 -0.00 -1.26 -4.76 115.22 111.55 2rq8 n HIS 92 Ca 0.31 -2.78 -0.03 0.00 0.46 0.00 0.00 57.72 55.68 2rq8 n HIS 92 Cb 0.39 -0.23 -0.11 0.00 -0.12 0.00 0.00 29.99 29.92 2rq8 n HIS 92 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2rq8 n HIS 93 N -0.40 0.00 -3.18 1.57 8.25 -1.26 -5.01 115.22 115.19 2rq8 n HIS 93 Ca 0.27 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.50 2rq8 n HIS 93 Cb 0.77 -0.58 0.03 0.00 1.12 0.00 0.00 29.99 31.32 2rq8 n HIS 93 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2rq8 n HIS 94 N -2.37 -2.02 0.00 4.41 8.25 -1.26 -4.83 115.22 117.40 2rq8 n HIS 94 Ca -0.17 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2rq8 n HIS 94 Cb 0.78 -4.16 0.00 0.00 1.12 0.00 0.00 29.99 27.73 2rq8 n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2rq8 n HIS 95 N -4.43 0.00 -2.48 4.41 -0.00 -1.26 -5.04 115.22 106.42 2rq8 n HIS 95 Ca -0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.23 2rq8 n HIS 95 Cb 0.59 0.04 -0.03 0.00 -0.00 0.00 0.00 29.99 30.59 2rq8 n HIS 95 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rq8 s HIS 96 N -1.87 3.52 -2.00 1.57 4.02 -1.26 -5.28 115.29 113.99 2rq8 s HIS 96 Ca 0.00 1.46 0.31 0.00 1.02 0.00 0.00 55.06 57.85 2rq8 s HIS 96 Cb 0.00 -3.34 1.85 0.00 -1.02 0.00 0.00 32.58 30.07 2rq8 s HIS 96 CO 0.00 -0.91 2.17 0.72 1.02 0.00 0.00 174.74 177.75