#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 4.31 -0.08 3.17 2.01 -1.26 -5.00 118.68 121.82 2rq8 s LEU 1 Ca 0.00 2.17 0.01 0.00 0.01 0.00 0.00 54.13 56.32 2rq8 s LEU 1 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 46.19 42.68 2rq8 s LEU 1 CO 0.00 -0.86 -0.09 -0.63 1.01 0.00 0.00 176.35 175.78 2rq8 s ILE 2 N 3.51 1.02 -0.02 -0.59 -1.09 -1.26 -5.07 121.20 117.70 2rq8 s ILE 2 Ca 0.69 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 2rq8 s ILE 2 Cb -0.32 -0.99 0.02 0.00 -1.58 0.00 0.00 42.46 39.58 2rq8 s ILE 2 CO 0.27 0.35 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.62 2rq8 s GLU 3 N 1.16 0.30 0.45 2.79 2.12 -1.26 -5.05 118.70 119.21 2rq8 s GLU 3 Ca -0.05 0.00 -0.23 0.00 0.36 0.00 0.00 54.97 55.04 2rq8 s GLU 3 Cb -0.14 -0.40 -0.08 0.00 0.26 0.00 0.00 34.13 33.77 2rq8 s GLU 3 CO -0.02 -0.06 1.17 0.08 -0.54 0.00 0.00 175.26 175.89 2rq8 s VAL 4 N 0.62 3.08 -0.16 3.70 1.01 -1.26 -4.27 120.40 123.13 2rq8 s VAL 4 Ca -0.06 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 2rq8 s VAL 4 Cb -0.09 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2rq8 s VAL 4 CO -0.01 0.01 -0.16 1.21 0.00 0.00 0.00 175.10 176.15 2rq8 n GLU 5 N -0.36 0.38 -3.24 2.72 4.07 0.04 -4.91 120.64 119.34 2rq8 n GLU 5 Ca 0.07 0.11 -0.18 0.00 -0.06 0.00 0.00 57.16 57.09 2rq8 n GLU 5 Cb 0.48 -1.26 -0.07 0.00 -0.06 0.00 0.00 31.44 30.53 2rq8 n GLU 5 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2rq8 s LYS 6 N -2.31 0.84 0.06 5.31 -0.14 -1.21 -4.96 119.74 117.33 2rq8 s LYS 6 Ca -0.22 -1.37 -0.01 0.00 -1.36 0.00 0.00 55.97 53.01 2rq8 s LYS 6 Cb 0.06 -0.83 0.02 0.00 -1.68 0.00 0.00 37.83 35.40 2rq8 s LYS 6 CO 0.34 -1.30 0.06 -0.35 -0.76 0.00 0.00 175.35 173.34 2rq8 n PRO 7 N 3.43 -1.14 -3.66 -1.68 -0.04 -1.26 -2.17 135.00 128.48 2rq8 n PRO 7 Ca 0.20 -0.09 -0.38 0.00 -0.04 0.00 0.00 63.50 63.18 2rq8 n PRO 7 Cb 0.48 -0.09 -0.09 0.00 -0.04 0.00 0.00 33.50 33.77 2rq8 n PRO 7 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2rq8 s LEU 8 N 0.00 5.49 0.00 1.53 2.34 -1.26 -4.88 118.68 121.90 2rq8 s LEU 8 Ca 0.04 -2.41 0.15 0.00 0.06 0.00 0.00 54.13 51.97 2rq8 s LEU 8 Cb -0.00 -1.92 0.69 0.00 -0.56 0.00 0.00 46.19 44.40 2rq8 s LEU 8 CO 0.03 -0.51 1.43 -0.81 -1.06 0.00 0.00 176.35 175.43 2rq8 n PRO 9 N 4.15 0.12 0.00 1.48 -0.04 -1.26 -4.63 135.00 134.82 2rq8 n PRO 9 Ca 0.02 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 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 -0.03 -0.05 3.82 0.55 0.00 -1.26 -4.88 105.19 103.35 2rq8 n GLY 10 Ca 0.06 0.69 -0.36 0.00 0.00 0.00 0.00 46.02 46.41 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 4.60 -0.11 1.61 1.01 -1.24 -4.99 120.40 121.29 2rq8 s VAL 11 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.22 2rq8 s VAL 11 Cb 0.00 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2rq8 s VAL 11 CO 0.00 0.19 -0.17 -1.61 0.00 0.00 0.00 175.10 173.51 2rq8 s GLU 12 N -2.03 3.12 0.27 2.72 2.02 -1.26 -2.03 118.70 121.51 2rq8 s GLU 12 Ca 0.43 -0.75 -0.10 0.00 0.02 0.00 0.00 54.97 54.57 2rq8 s GLU 12 Cb -0.16 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 2rq8 s GLU 12 CO 0.21 0.28 0.46 0.14 0.02 0.00 0.00 175.26 176.36 2rq8 s VAL 13 N 0.16 0.00 0.56 2.63 -7.23 -0.93 -4.78 120.40 110.81 2rq8 s VAL 13 Ca -0.09 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2rq8 s VAL 13 Cb -0.15 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.48 2rq8 s VAL 13 CO 0.06 0.00 0.77 -0.36 -0.31 0.00 0.00 175.10 175.25 2rq8 s PHE 14 N -3.73 2.28 -0.34 2.82 0.08 -1.26 -0.09 117.98 117.74 2rq8 s PHE 14 Ca 0.25 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.70 2rq8 s PHE 14 Cb -0.00 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2rq8 s PHE 14 CO 0.12 -0.98 1.03 0.08 -0.10 0.00 0.00 175.22 175.36 2rq8 s VAL 15 N -2.71 4.53 -1.32 -0.44 1.01 -0.33 -3.99 120.40 117.16 2rq8 s VAL 15 Ca 0.59 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 64.12 2rq8 s VAL 15 Cb -0.08 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 2rq8 s VAL 15 CO 0.38 -0.50 0.62 0.61 0.00 0.00 0.00 175.10 176.22 2rq8 n GLY 16 N 4.05 -0.35 0.00 4.51 0.00 -1.23 -4.84 105.19 107.33 2rq8 n GLY 16 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.28 0.00 -4.29 1.61 -0.58 -1.26 -4.34 120.64 107.51 2rq8 n GLU 17 Ca -0.28 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.26 2rq8 n GLU 17 Cb 0.67 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 0.48 1.09 -0.26 2.62 2.01 -1.26 -1.60 115.64 118.72 2rq8 s THR 18 Ca 0.00 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 2rq8 s THR 18 Cb 0.00 -1.01 0.08 0.00 0.01 0.00 0.00 72.50 71.57 2rq8 s THR 18 CO 0.00 -0.07 0.02 0.00 -0.69 0.00 0.00 174.62 173.89 2rq8 s ALA 19 N -0.97 1.75 -0.18 7.40 0.00 -0.31 -3.99 121.76 125.45 2rq8 s ALA 19 Ca 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 2rq8 s ALA 19 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2rq8 s ALA 19 CO 0.02 -1.40 0.06 -1.01 0.00 0.00 0.00 175.76 173.43 2rq8 s HIS 20 N 1.50 3.25 -0.09 0.00 3.76 -1.26 -1.48 115.29 120.98 2rq8 s HIS 20 Ca 0.02 0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.99 2rq8 s HIS 20 Cb -0.18 -2.08 0.03 0.00 1.11 0.00 0.00 32.58 31.45 2rq8 s HIS 20 CO -0.13 0.14 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.81 2rq8 s PHE 21 N 0.40 1.03 -0.04 1.40 0.40 -1.07 -4.82 117.98 115.27 2rq8 s PHE 21 Ca 0.03 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2rq8 s PHE 21 Cb -0.12 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.44 2rq8 s PHE 21 CO 0.00 -0.39 -0.14 -1.83 0.70 0.00 0.00 175.22 173.57 2rq8 s GLU 22 N 1.71 1.52 0.20 0.44 -1.05 -1.26 -2.52 118.70 117.73 2rq8 s GLU 22 Ca 0.03 -0.47 -0.07 0.00 -0.15 0.00 0.00 54.97 54.31 2rq8 s GLU 22 Cb -0.13 -1.32 -0.02 0.00 -0.44 0.00 0.00 34.13 32.22 2rq8 s GLU 22 CO -0.06 0.15 0.27 0.96 0.95 0.00 0.00 175.26 177.54 2rq8 s ILE 23 N 0.24 0.03 -0.05 1.83 -0.00 -1.25 -4.62 121.20 117.38 2rq8 s ILE 23 Ca -0.06 -1.64 0.05 0.00 -0.00 0.00 0.00 60.65 59.00 2rq8 s ILE 23 Cb -0.12 -2.17 -0.01 0.00 -0.00 0.00 0.00 42.46 40.16 2rq8 s ILE 23 CO 0.02 -0.13 -0.22 -1.61 -0.00 0.00 0.00 174.94 173.00 2rq8 s GLU 24 N -4.05 2.20 0.00 0.37 2.02 -0.92 -3.50 118.70 114.82 2rq8 s GLU 24 Ca 0.26 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.50 2rq8 s GLU 24 Cb 0.04 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.39 2rq8 s GLU 24 CO 0.07 0.33 0.48 1.28 0.02 0.00 0.00 175.26 177.43 2rq8 n LEU 25 N 3.02 0.97 -2.23 1.80 7.99 -1.23 -0.78 117.00 126.54 2rq8 n LEU 25 Ca -0.18 -0.88 -0.12 0.00 -0.01 0.00 0.00 56.01 54.82 2rq8 n LEU 25 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.82 2rq8 n LEU 25 CO 0.25 0.22 -0.15 -1.54 -1.51 0.00 0.00 177.39 174.66 2rq8 n SER 26 N -0.13 -3.81 -3.11 -1.43 3.41 -1.26 -4.31 113.62 102.98 2rq8 n SER 26 Ca 0.01 0.21 -0.08 0.00 -0.26 0.00 0.00 58.87 58.76 2rq8 n SER 26 Cb 0.07 -3.30 -0.03 0.00 -0.26 0.00 0.00 64.21 60.69 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 -4.64 0.88 0.00 4.33 2.56 -1.26 -4.99 118.70 115.58 2rq8 s GLU 27 Ca 0.00 -0.90 0.15 0.00 0.00 0.00 0.00 54.97 54.22 2rq8 s GLU 27 Cb 0.00 -0.31 0.72 0.00 2.00 0.00 0.00 34.13 36.54 2rq8 s GLU 27 CO 0.00 -1.26 1.42 -0.35 -0.56 0.00 0.00 175.26 174.50 2rq8 n PRO 28 N 3.67 0.17 -1.05 4.30 -0.04 -1.26 -3.22 135.00 137.58 2rq8 n PRO 28 Ca 0.16 0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 63.55 2rq8 n PRO 28 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2rq8 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2rq8 n ASP 29 N -1.32 6.84 -1.46 3.54 5.68 -1.26 -4.89 116.55 123.67 2rq8 n ASP 29 Ca 0.06 -3.32 -0.03 0.00 -0.50 0.00 0.00 54.79 51.00 2rq8 n ASP 29 Cb 0.13 -1.02 -0.01 0.00 -1.14 0.00 0.00 41.12 39.07 2rq8 n ASP 29 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2rq8 n VAL 30 N -0.12 0.00 -3.99 2.12 0.24 -1.20 -5.18 118.33 110.21 2rq8 n VAL 30 Ca 0.42 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2rq8 n VAL 30 Cb 0.62 0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 33.14 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 -4.28 0.31 0.17 6.34 3.76 -1.26 -5.04 115.29 115.28 2rq8 s HIS 31 Ca 0.07 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 2rq8 s HIS 31 Cb -0.00 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.42 2rq8 s HIS 31 CO 0.05 -0.29 0.02 0.20 -0.85 0.00 0.00 174.74 173.87 2rq8 s GLY 32 N -2.04 1.20 0.01 -2.22 0.00 -1.26 -1.15 107.32 101.86 2rq8 s GLY 32 Ca -0.07 -1.58 -0.00 0.00 0.00 0.00 0.00 44.72 43.07 2rq8 s GLY 32 CO -0.04 -1.49 -0.01 -0.86 0.00 0.00 0.00 173.10 170.69 2rq8 s GLN 33 N -3.96 0.17 -0.11 2.90 -2.07 0.91 -4.99 119.66 112.51 2rq8 s GLN 33 Ca 0.25 -0.32 -0.02 0.00 -1.82 0.00 0.00 55.36 53.45 2rq8 s GLN 33 Cb 0.07 0.06 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 2rq8 s GLN 33 CO 0.04 -0.03 -0.02 -1.58 -1.32 0.00 0.00 175.29 172.39 2rq8 s TRP 34 N -0.78 3.09 -0.01 9.60 0.52 -1.26 -1.04 118.94 129.05 2rq8 s TRP 34 Ca -0.09 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.09 2rq8 s TRP 34 Cb -0.05 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2rq8 s TRP 34 CO -0.01 0.29 -0.11 0.21 0.02 0.00 0.00 176.95 177.35 2rq8 s LYS 35 N -0.45 0.94 0.02 4.98 2.20 -0.11 -3.59 119.74 123.73 2rq8 s LYS 35 Ca 0.08 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 2rq8 s LYS 35 Cb -0.12 -0.91 -0.02 0.00 -1.51 0.00 0.00 37.83 35.28 2rq8 s LYS 35 CO 0.02 0.24 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.65 2rq8 s LEU 36 N -0.25 2.13 0.46 5.43 2.01 -1.18 -2.77 118.68 124.51 2rq8 s LEU 36 Ca 0.04 -0.34 0.23 0.00 0.01 0.00 0.00 54.13 54.07 2rq8 s LEU 36 Cb -0.05 -0.37 1.24 0.00 0.01 0.00 0.00 46.19 47.02 2rq8 s LEU 36 CO -0.00 -0.01 1.86 0.07 1.01 0.00 0.00 176.35 179.27 2rq8 h LYS 37 N 5.27 0.24 0.01 1.70 2.10 -1.98 -3.03 116.57 120.88 2rq8 h LYS 37 Ca -0.33 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2rq8 h LYS 37 Cb 1.19 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2rq8 h LYS 37 CO 0.46 0.16 -0.01 0.78 -2.00 0.00 0.00 179.45 178.84 2rq8 h GLY 38 N 0.25 -0.02 -7.27 0.07 0.00 -1.98 -3.43 103.07 90.69 2rq8 h GLY 38 Ca 0.47 0.01 -0.74 0.00 0.00 0.00 0.00 47.33 47.06 2rq8 h GLY 38 CO -0.13 -0.01 -0.33 1.20 0.00 0.00 0.00 176.54 177.27 2rq8 s GLN 39 N -1.26 2.85 1.04 4.80 -1.52 -1.15 -5.08 119.66 119.35 2rq8 s GLN 39 Ca -0.00 -1.53 -0.13 0.00 -1.95 0.00 0.00 55.36 51.75 2rq8 s GLN 39 Cb 0.00 -4.09 0.21 0.00 -0.22 0.00 0.00 33.01 28.91 2rq8 s GLN 39 CO 0.01 -1.12 1.10 -1.25 -0.25 0.00 0.00 175.29 173.77 2rq8 s PRO 40 N 1.55 0.10 0.48 2.91 0.04 -1.22 -3.10 135.00 135.77 2rq8 s PRO 40 Ca 0.04 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2rq8 s PRO 40 Cb -0.26 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2rq8 s PRO 40 CO 0.04 -2.93 0.00 1.28 0.04 0.00 0.00 177.00 175.43 2rq8 n LEU 41 N -4.29 -0.83 -4.77 -3.56 4.77 -1.26 -4.88 117.00 102.18 2rq8 n LEU 41 Ca 0.06 1.91 -0.22 0.00 -0.03 0.00 0.00 56.01 57.73 2rq8 n LEU 41 Cb 0.58 -3.12 -0.05 0.00 -2.33 0.00 0.00 43.42 38.49 2rq8 n LEU 41 CO 0.56 -2.10 -0.19 0.00 -1.33 0.00 0.00 177.39 174.32 2rq8 s ALA 42 N -3.70 3.52 -0.90 -1.18 0.00 -1.24 -4.62 121.76 113.64 2rq8 s ALA 42 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2rq8 s ALA 42 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2rq8 s ALA 42 CO 0.00 0.15 0.77 0.00 0.00 0.00 0.00 175.76 176.69 2rq8 n ALA 43 N -1.15 -1.12 -1.05 0.00 0.00 -1.26 -4.99 120.51 110.95 2rq8 n ALA 43 Ca -0.05 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 2rq8 n ALA 43 Cb 0.59 -3.11 0.13 0.00 0.00 0.00 0.00 19.45 17.07 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 -3.52 3.60 0.00 0.00 0.01 -1.26 -4.90 113.70 107.63 2rq8 s SER 44 Ca 0.24 1.83 0.14 0.00 1.31 0.00 0.00 55.95 59.47 2rq8 s SER 44 Cb -0.11 -2.44 0.66 0.00 0.21 0.00 0.00 66.02 64.35 2rq8 s SER 44 CO 0.51 -2.61 1.43 -0.81 0.41 0.00 0.00 173.24 172.17 2rq8 n PRO 45 N -3.89 0.09 -0.01 12.44 -0.04 -1.26 -2.03 135.00 140.29 2rq8 n PRO 45 Ca 0.09 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 2rq8 n PRO 45 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.41 1.50 -4.51 3.54 8.00 -1.26 -5.03 116.55 117.37 2rq8 n ASP 46 Ca 0.05 -1.30 -0.25 0.00 0.71 0.00 0.00 54.79 54.00 2rq8 n ASP 46 Cb 0.15 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 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 -3.62 0.91 -0.31 0.00 2.02 -1.12 -4.48 118.70 112.09 2rq8 s GLU 48 Ca 0.32 -0.09 -0.00 0.00 0.02 0.00 0.00 54.97 55.22 2rq8 s GLU 48 Cb 0.02 -0.99 0.07 0.00 0.10 0.00 0.00 34.13 33.32 2rq8 s GLU 48 CO 0.15 -0.15 0.02 0.42 0.02 0.00 0.00 175.26 175.72 2rq8 s ILE 49 N 1.26 2.76 -0.29 -1.63 1.01 -1.26 -2.07 121.20 120.98 2rq8 s ILE 49 Ca -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 60.65 58.89 2rq8 s ILE 49 Cb -0.14 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.66 2rq8 s ILE 49 CO -0.02 -0.25 0.00 -0.63 0.00 0.00 0.00 174.94 174.04 2rq8 s ILE 50 N 1.15 3.16 -0.64 2.92 -1.09 -0.91 -5.01 121.20 120.78 2rq8 s ILE 50 Ca -0.02 -1.18 -0.23 0.00 -2.23 0.00 0.00 60.65 57.00 2rq8 s ILE 50 Cb -0.20 -2.73 0.07 0.00 -1.58 0.00 0.00 42.46 38.01 2rq8 s ILE 50 CO -0.03 -0.01 0.95 -0.70 -1.23 0.00 0.00 174.94 173.92 2rq8 s GLU 51 N 1.32 3.14 -0.33 2.79 -6.30 -1.26 -2.27 118.70 115.79 2rq8 s GLU 51 Ca -0.03 -0.75 -0.12 0.00 -2.50 0.00 0.00 54.97 51.57 2rq8 s GLU 51 Cb -0.19 -4.20 -0.03 0.00 0.00 0.00 0.00 34.13 29.72 2rq8 s GLU 51 CO -0.01 -1.76 0.23 0.34 0.02 0.00 0.00 175.26 174.08 2rq8 s ASP 52 N 3.54 6.05 1.18 -1.70 2.15 -0.05 -4.93 116.67 122.91 2rq8 s ASP 52 Ca 0.23 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2rq8 s ASP 52 Cb -0.16 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2rq8 s ASP 52 CO 0.11 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2rq8 n GLY 53 N 5.09 0.94 0.21 2.66 0.00 -1.26 -0.13 105.19 112.70 2rq8 n GLY 53 Ca -0.13 0.57 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.19 -4.12 1.61 0.00 -1.26 -4.44 118.16 109.75 2rq8 n LYS 54 Ca 0.00 -0.80 -0.33 0.00 -0.00 0.00 0.00 58.31 57.18 2rq8 n LYS 54 Cb 0.00 -1.10 -0.07 0.00 -0.00 0.00 0.00 35.03 33.86 2rq8 n LYS 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2rq8 s LYS 55 N -0.45 3.00 -0.18 -1.58 2.20 0.82 -3.55 119.74 119.99 2rq8 s LYS 55 Ca 0.06 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2rq8 s LYS 55 Cb 0.04 -2.81 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2rq8 s LYS 55 CO 0.07 0.63 -0.18 -1.01 -0.36 0.00 0.00 175.35 174.50 2rq8 s HIS 56 N -1.21 2.80 -0.13 4.03 3.76 -1.23 -0.87 115.29 122.45 2rq8 s HIS 56 Ca 0.23 -1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 53.55 2rq8 s HIS 56 Cb -0.12 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 2rq8 s HIS 56 CO 0.14 -0.77 0.04 -1.50 -0.85 0.00 0.00 174.74 171.80 2rq8 s ILE 57 N 1.28 4.59 -0.11 0.60 1.10 -0.96 -3.86 121.20 123.84 2rq8 s ILE 57 Ca 0.04 -0.13 -0.00 0.00 -0.51 0.00 0.00 60.65 60.05 2rq8 s ILE 57 Cb -0.13 -2.99 0.02 0.00 0.15 0.00 0.00 42.46 39.51 2rq8 s ILE 57 CO -0.11 0.55 -0.08 -0.22 -2.11 0.00 0.00 174.94 172.97 2rq8 s LEU 58 N -0.38 1.21 -0.43 8.50 1.98 -1.05 -2.14 118.68 126.38 2rq8 s LEU 58 Ca 0.08 -0.30 -0.08 0.00 -2.89 0.00 0.00 54.13 50.94 2rq8 s LEU 58 Cb -0.12 -0.84 0.09 0.00 0.66 0.00 0.00 46.19 45.99 2rq8 s LEU 58 CO 0.02 -0.11 0.27 -0.63 -1.89 0.00 0.00 176.35 174.01 2rq8 s ILE 59 N 1.63 4.07 -0.30 6.68 1.01 -0.88 -2.61 121.20 130.80 2rq8 s ILE 59 Ca 0.04 -1.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.07 2rq8 s ILE 59 Cb -0.13 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.81 2rq8 s ILE 59 CO -0.07 -0.59 0.01 -0.22 0.00 0.00 0.00 174.94 174.07 2rq8 s LEU 60 N 1.37 3.85 0.73 2.97 0.20 -0.55 -2.80 118.68 124.45 2rq8 s LEU 60 Ca 0.04 -1.15 -0.11 0.00 0.69 0.00 0.00 54.13 53.59 2rq8 s LEU 60 Cb -0.24 -1.74 0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2rq8 s LEU 60 CO 0.00 -0.25 1.08 -1.00 -0.29 0.00 0.00 176.35 175.89 2rq8 s HIS 61 N 1.30 3.11 -0.76 5.38 3.76 -1.26 -1.17 115.29 125.65 2rq8 s HIS 61 Ca -0.03 1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 56.08 2rq8 s HIS 61 Cb -0.19 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2rq8 s HIS 61 CO -0.01 -1.36 0.68 0.09 -0.85 0.00 0.00 174.74 173.29 2rq8 n ASN 62 N -3.18 -5.94 -2.34 1.40 3.02 -0.63 -4.89 115.26 102.70 2rq8 n ASN 62 Ca 0.07 -0.42 -0.23 0.00 -0.03 0.00 0.00 54.58 53.97 2rq8 n ASN 62 Cb 0.55 -4.29 -0.08 0.00 -0.61 0.00 0.00 39.78 35.35 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 1.22 2.26 -1.27 0.00 10.64 -1.26 -3.53 117.38 125.44 2rq8 n GLN 64 Ca 0.46 -1.94 -0.25 0.00 -1.83 0.00 0.00 57.00 53.44 2rq8 n GLN 64 Cb 0.63 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 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 1.30 6.68 -0.23 2.61 4.32 -1.26 -4.96 117.00 125.46 2rq8 n LEU 65 Ca 0.46 -3.85 0.03 0.00 -0.02 0.00 0.00 56.01 52.64 2rq8 n LEU 65 Cb 0.65 -1.13 -0.01 0.00 -1.62 0.00 0.00 43.42 41.31 2rq8 n LEU 65 CO 0.27 1.51 -0.05 0.61 -1.22 0.00 0.00 177.39 178.51 2rq8 n GLY 66 N 0.38 -1.50 0.27 -0.72 0.00 -1.26 -3.69 105.19 98.66 2rq8 n GLY 66 Ca 0.44 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.21 0.00 -1.74 1.61 2.86 -1.94 -3.42 114.93 112.10 2rq8 h MET 67 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2rq8 h MET 67 Cb 0.21 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.64 2rq8 h MET 67 CO 0.00 0.00 0.10 0.95 1.06 0.00 0.00 176.91 179.02 2rq8 s THR 68 N -3.90 -0.33 0.02 2.22 -4.23 -1.26 -3.13 115.64 105.04 2rq8 s THR 68 Ca -0.03 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 2rq8 s THR 68 Cb 0.10 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 2rq8 s THR 68 CO 0.36 0.00 -0.11 -0.83 -0.54 0.00 0.00 174.62 173.50 2rq8 s GLY 69 N 2.01 0.61 -0.17 3.99 0.00 -1.05 -4.94 107.32 107.77 2rq8 s GLY 69 Ca -0.08 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.76 2rq8 s GLY 69 CO -0.18 -0.60 0.83 1.85 0.00 0.00 0.00 173.10 175.00 2rq8 s GLU 70 N -0.79 4.30 -0.11 2.90 2.12 -1.26 -0.06 118.70 125.80 2rq8 s GLU 70 Ca 0.01 1.02 -0.11 0.00 0.36 0.00 0.00 54.97 56.25 2rq8 s GLU 70 Cb -0.06 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 2rq8 s GLU 70 CO 0.00 -0.33 0.25 0.54 -0.54 0.00 0.00 175.26 175.18 2rq8 s VAL 71 N 2.16 5.32 -0.16 3.70 0.11 0.22 -4.74 120.40 127.02 2rq8 s VAL 71 Ca 0.38 0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 59.87 2rq8 s VAL 71 Cb -0.17 -3.54 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 2rq8 s VAL 71 CO 0.12 0.54 -0.10 -0.94 -3.33 0.00 0.00 175.10 171.39 2rq8 s SER 72 N -0.56 4.11 -0.01 3.54 1.04 -1.11 -2.20 113.70 118.51 2rq8 s SER 72 Ca 0.17 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2rq8 s SER 72 Cb -0.13 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2rq8 s SER 72 CO 0.06 0.10 -0.05 0.12 0.98 0.00 0.00 173.24 174.45 2rq8 s PHE 73 N 0.75 0.52 -0.18 5.02 5.36 -0.06 -0.94 117.98 128.45 2rq8 s PHE 73 Ca -0.04 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 2rq8 s PHE 73 Cb -0.15 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.17 2rq8 s PHE 73 CO 0.02 -0.05 -0.20 -0.65 -1.46 0.00 0.00 175.22 172.88 2rq8 s GLN 74 N 0.12 2.98 -0.49 10.12 -0.21 -0.21 -1.49 119.66 130.49 2rq8 s GLN 74 Ca -0.01 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.55 2rq8 s GLN 74 Cb -0.05 -2.55 0.13 0.00 1.00 0.00 0.00 33.01 31.54 2rq8 s GLN 74 CO -0.00 -0.19 0.25 0.00 -2.12 0.00 0.00 175.29 173.22 2rq8 s ALA 75 N 1.25 3.26 -0.64 6.09 0.00 -1.17 -0.07 121.76 130.49 2rq8 s ALA 75 Ca 0.04 -2.98 -0.01 0.00 0.00 0.00 0.00 51.96 49.01 2rq8 s ALA 75 Cb -0.13 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 2rq8 s ALA 75 CO -0.12 -1.93 0.59 0.00 0.00 0.00 0.00 175.76 174.30 2rq8 n ALA 76 N 3.72 -2.23 -2.18 0.00 0.00 -0.30 -3.03 120.51 116.48 2rq8 n ALA 76 Ca 0.04 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 2rq8 n ALA 76 Cb 0.37 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.89 -4.39 -4.70 0.00 3.02 -1.26 -4.90 115.26 101.14 2rq8 n ASN 77 Ca -0.01 0.19 -0.33 0.00 -0.03 0.00 0.00 54.58 54.39 2rq8 n ASN 77 Cb 0.52 -3.77 -0.09 0.00 -0.61 0.00 0.00 39.78 35.83 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 -2.63 4.32 -0.29 3.41 2.01 -1.17 -5.09 115.64 116.20 2rq8 s THR 78 Ca 0.00 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2rq8 s THR 78 Cb 0.00 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2rq8 s THR 78 CO 0.00 0.45 0.43 -0.54 -0.69 0.00 0.00 174.62 174.27 2rq8 s LYS 79 N -1.37 3.90 -0.08 4.92 1.02 -1.26 -3.03 119.74 123.84 2rq8 s LYS 79 Ca 0.18 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.18 2rq8 s LYS 79 Cb -0.12 -3.70 0.02 0.00 -0.52 0.00 0.00 37.83 33.52 2rq8 s LYS 79 CO 0.08 -0.39 -0.05 -1.12 -0.92 0.00 0.00 175.35 172.95 2rq8 s SER 80 N 1.65 1.76 -0.04 2.83 0.01 -0.55 -5.01 113.70 114.35 2rq8 s SER 80 Ca 0.17 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2rq8 s SER 80 Cb -0.16 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.45 2rq8 s SER 80 CO 0.11 -0.12 -0.01 0.00 0.41 0.00 0.00 173.24 173.62 2rq8 s ALA 81 N 1.58 0.45 0.05 1.44 0.00 -1.26 -0.88 121.76 123.14 2rq8 s ALA 81 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2rq8 s ALA 81 Cb -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2rq8 s ALA 81 CO -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 175.76 175.59 2rq8 s ALA 82 N 1.10 0.48 0.12 0.00 0.00 -0.93 -5.01 121.76 117.53 2rq8 s ALA 82 Ca -0.09 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 2rq8 s ALA 82 Cb -0.14 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 2rq8 s ALA 82 CO -0.02 -0.38 0.55 1.21 0.00 0.00 0.00 175.76 177.13 2rq8 s ASN 83 N -2.92 6.88 -0.19 0.00 3.84 -1.26 -0.61 114.94 120.68 2rq8 s ASN 83 Ca 0.07 1.11 -0.05 0.00 0.21 0.00 0.00 52.86 54.20 2rq8 s ASN 83 Cb 0.08 -2.30 -0.03 0.00 -0.55 0.00 0.00 41.25 38.45 2rq8 s ASN 83 CO -0.10 0.15 0.00 -0.22 -2.79 0.00 0.00 177.10 174.14 2rq8 s LEU 84 N -1.73 3.33 -0.43 3.21 1.98 0.92 -3.64 118.68 122.32 2rq8 s LEU 84 Ca 0.35 -0.16 -0.13 0.00 -2.89 0.00 0.00 54.13 51.31 2rq8 s LEU 84 Cb -0.16 -1.84 0.06 0.00 0.66 0.00 0.00 46.19 44.91 2rq8 s LEU 84 CO 0.19 0.09 0.31 -0.75 -1.89 0.00 0.00 176.35 174.30 2rq8 s LYS 85 N 0.83 2.85 -0.08 1.98 2.20 -0.86 -2.52 119.74 124.14 2rq8 s LYS 85 Ca 0.01 -1.27 -0.19 0.00 -0.36 0.00 0.00 55.97 54.15 2rq8 s LYS 85 Cb -0.14 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 2rq8 s LYS 85 CO 0.02 -0.90 0.52 0.08 -0.36 0.00 0.00 175.35 174.72 2rq8 s VAL 86 N 1.57 5.09 -0.01 4.02 1.01 -1.18 -2.18 120.40 128.73 2rq8 s VAL 86 Ca 0.03 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.12 2rq8 s VAL 86 Cb -0.22 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2rq8 s VAL 86 CO 0.06 0.36 -0.11 -0.54 0.00 0.00 0.00 175.10 174.87 2rq8 s LYS 87 N 0.32 2.45 0.80 2.72 -0.14 0.87 -4.88 119.74 121.88 2rq8 s LYS 87 Ca 0.28 -0.75 -0.12 0.00 -1.36 0.00 0.00 55.97 54.02 2rq8 s LYS 87 Cb -0.16 -2.41 0.08 0.00 -1.68 0.00 0.00 37.83 33.66 2rq8 s LYS 87 CO 0.13 0.60 1.14 -2.00 -0.76 0.00 0.00 175.35 174.46 2rq8 s GLU 88 N -1.17 1.86 -0.23 1.68 2.12 -1.26 -1.19 118.70 120.50 2rq8 s GLU 88 Ca 0.14 1.47 0.08 0.00 0.36 0.00 0.00 54.97 57.03 2rq8 s GLU 88 Cb -0.11 -1.83 0.60 0.00 0.26 0.00 0.00 34.13 33.05 2rq8 s GLU 88 CO 0.04 -1.99 1.54 1.28 -0.54 0.00 0.00 175.26 175.59 2rq8 n LEU 89 N -3.45 5.04 -3.71 2.70 4.77 -1.26 -4.78 117.00 116.30 2rq8 n LEU 89 Ca 0.11 -2.60 -0.11 0.00 -0.03 0.00 0.00 56.01 53.38 2rq8 n LEU 89 Cb 0.52 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 2rq8 n LEU 89 CO 0.50 0.66 0.02 -0.22 -1.33 0.00 0.00 177.39 177.02 2rq8 s LEU 90 N -2.26 0.16 -0.46 2.23 1.98 -1.26 -5.12 118.68 113.95 2rq8 s LEU 90 Ca 0.43 0.80 -0.18 0.00 -2.89 0.00 0.00 54.13 52.28 2rq8 s LEU 90 Cb 0.34 1.24 0.04 0.00 0.66 0.00 0.00 46.19 48.47 2rq8 s LEU 90 CO 0.11 -0.17 0.53 -1.61 -1.89 0.00 0.00 176.35 173.32 2rq8 s GLU 91 N 1.05 3.11 1.25 1.98 2.02 -1.26 -5.06 118.70 121.79 2rq8 s GLU 91 Ca -0.07 -0.85 -0.19 0.00 0.02 0.00 0.00 54.97 53.88 2rq8 s GLU 91 Cb -0.07 -4.04 0.27 0.00 0.10 0.00 0.00 34.13 30.39 2rq8 s GLU 91 CO -0.09 -1.04 0.62 0.72 0.02 0.00 0.00 175.26 175.49 2rq8 n HIS 92 N 5.85 -2.67 -3.59 1.61 8.25 -1.26 -3.99 115.22 119.42 2rq8 n HIS 92 Ca -0.07 -0.35 -0.22 0.00 -0.26 0.00 0.00 57.72 56.82 2rq8 n HIS 92 Cb 0.46 -1.44 0.07 0.00 1.12 0.00 0.00 29.99 30.20 2rq8 n HIS 92 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2rq8 n HIS 93 N -5.11 -2.38 -3.83 4.41 8.25 -1.26 -4.96 115.22 110.33 2rq8 n HIS 93 Ca 0.08 0.94 -0.29 0.00 -0.26 0.00 0.00 57.72 58.19 2rq8 n HIS 93 Cb 0.52 -4.82 -0.12 0.00 1.12 0.00 0.00 29.99 26.69 2rq8 n HIS 93 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rq8 s HIS 94 N -3.39 2.97 0.04 4.41 5.04 -1.26 -5.08 115.29 118.02 2rq8 s HIS 94 Ca 0.27 -3.06 0.06 0.00 -1.54 0.00 0.00 55.06 50.79 2rq8 s HIS 94 Cb -0.12 -2.42 -0.02 0.00 0.04 0.00 0.00 32.58 30.06 2rq8 s HIS 94 CO 0.76 -0.66 -0.17 -3.38 -2.34 0.00 0.00 174.74 168.95 2rq8 s HIS 95 N -0.75 1.47 0.27 3.88 -3.43 -1.26 -5.15 115.29 110.31 2rq8 s HIS 95 Ca 0.23 -0.36 0.10 0.00 -0.80 0.00 0.00 55.06 54.23 2rq8 s HIS 95 Cb -0.12 -0.87 -0.04 0.00 -1.43 0.00 0.00 32.58 30.12 2rq8 s HIS 95 CO -0.11 0.06 -0.01 -3.38 -2.00 0.00 0.00 174.74 169.30 2rq8 s HIS 96 N -0.81 2.66 -1.62 0.38 -3.43 -1.26 -5.30 115.29 105.91 2rq8 s HIS 96 Ca 0.04 -0.24 0.13 0.00 -0.80 0.00 0.00 55.06 54.19 2rq8 s HIS 96 Cb -0.08 -1.21 0.10 0.00 -1.43 0.00 0.00 32.58 29.96 2rq8 s HIS 96 CO 0.01 0.61 0.91 1.58 -2.00 0.00 0.00 174.74 175.85