#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 -0.35 -0.02 3.17 2.96 -1.26 -5.14 118.68 118.05 2rq8 s LEU 1 Ca 0.00 0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 54.27 2rq8 s LEU 1 Cb 0.00 1.66 -0.05 0.00 0.50 0.00 0.00 46.19 48.30 2rq8 s LEU 1 CO 0.00 -0.11 1.33 -0.63 -1.32 0.00 0.00 176.35 175.62 2rq8 s ILE 2 N 0.26 3.90 -0.04 6.68 -1.09 -1.26 -5.02 121.20 124.63 2rq8 s ILE 2 Ca 0.03 1.26 0.01 0.00 -2.23 0.00 0.00 60.65 59.72 2rq8 s ILE 2 Cb -0.05 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 2rq8 s ILE 2 CO -0.09 -0.00 -0.03 -1.61 -1.23 0.00 0.00 174.94 171.97 2rq8 s GLU 3 N 2.31 0.66 0.28 2.79 2.02 -1.26 -5.07 118.70 120.43 2rq8 s GLU 3 Ca 0.61 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 55.25 2rq8 s GLU 3 Cb -0.29 -0.71 -0.10 0.00 0.10 0.00 0.00 34.13 33.13 2rq8 s GLU 3 CO 0.25 -0.09 1.30 0.08 0.02 0.00 0.00 175.26 176.83 2rq8 s VAL 4 N 0.89 2.93 -0.21 2.63 1.01 -1.26 -4.32 120.40 122.07 2rq8 s VAL 4 Ca -0.11 0.86 0.15 0.00 0.00 0.00 0.00 61.98 62.88 2rq8 s VAL 4 Cb -0.14 -3.55 -0.24 0.00 0.00 0.00 0.00 36.38 32.46 2rq8 s VAL 4 CO -0.00 0.17 0.03 1.21 0.00 0.00 0.00 175.10 176.51 2rq8 n GLU 5 N 1.59 0.68 -3.17 2.72 2.13 0.92 -4.82 120.64 120.70 2rq8 n GLU 5 Ca 0.03 0.02 -0.15 0.00 0.66 0.00 0.00 57.16 57.72 2rq8 n GLU 5 Cb 0.42 -1.53 -0.05 0.00 0.27 0.00 0.00 31.44 30.55 2rq8 n GLU 5 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2rq8 s LYS 6 N -2.50 0.88 0.46 5.31 -0.14 -1.13 -4.87 119.74 117.75 2rq8 s LYS 6 Ca -0.14 -1.28 -0.08 0.00 -1.36 0.00 0.00 55.97 53.10 2rq8 s LYS 6 Cb 0.07 -0.67 0.11 0.00 -1.68 0.00 0.00 37.83 35.66 2rq8 s LYS 6 CO 0.79 -1.30 0.41 -0.35 -0.76 0.00 0.00 175.35 174.14 2rq8 n PRO 7 N 3.39 -1.82 -3.62 -1.68 -0.04 -1.26 -1.97 135.00 128.00 2rq8 n PRO 7 Ca 0.19 -0.66 -0.38 0.00 -0.04 0.00 0.00 63.50 62.62 2rq8 n PRO 7 Cb 0.50 -0.61 -0.07 0.00 -0.04 0.00 0.00 33.50 33.28 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 5.61 0.00 1.53 1.43 -1.26 -4.89 118.68 121.10 2rq8 s LEU 8 Ca 0.27 -3.31 0.15 0.00 -1.03 0.00 0.00 54.13 50.20 2rq8 s LEU 8 Cb -0.03 -1.94 0.68 0.00 0.03 0.00 0.00 46.19 44.94 2rq8 s LEU 8 CO 0.20 -0.29 1.43 -0.81 0.23 0.00 0.00 176.35 177.11 2rq8 n PRO 9 N 2.92 0.11 0.00 1.29 -0.04 -1.26 -4.41 135.00 133.61 2rq8 n PRO 9 Ca 0.16 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2rq8 n PRO 9 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.92 3.75 0.55 0.00 -1.26 -4.85 105.19 104.27 2rq8 n GLY 10 Ca 0.05 0.56 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 4.44 -0.10 1.61 1.01 -1.21 -5.07 120.40 121.07 2rq8 s VAL 11 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2rq8 s VAL 11 Cb 0.00 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 2rq8 s VAL 11 CO 0.00 0.23 -0.23 -1.83 0.00 0.00 0.00 175.10 173.27 2rq8 s GLU 12 N -2.06 3.09 0.28 2.72 1.03 -1.26 -2.83 118.70 119.67 2rq8 s GLU 12 Ca 0.25 -0.85 -0.09 0.00 0.03 0.00 0.00 54.97 54.30 2rq8 s GLU 12 Cb -0.12 -2.34 -0.00 0.00 -0.80 0.00 0.00 34.13 30.86 2rq8 s GLU 12 CO 0.17 0.18 0.47 0.14 -1.33 0.00 0.00 175.26 174.89 2rq8 s VAL 13 N 0.35 0.00 0.43 1.83 -7.23 -0.97 -4.72 120.40 110.09 2rq8 s VAL 13 Ca -0.18 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 2rq8 s VAL 13 Cb -0.18 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.45 2rq8 s VAL 13 CO 0.08 0.00 0.50 0.49 -0.31 0.00 0.00 175.10 175.87 2rq8 n PHE 14 N -0.43 -1.87 -2.70 2.82 3.01 -1.25 0.02 117.46 117.06 2rq8 n PHE 14 Ca -0.01 -1.67 -0.43 0.00 1.01 0.00 0.00 57.45 56.35 2rq8 n PHE 14 Cb 0.62 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 2rq8 n PHE 14 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rq8 s VAL 15 N -1.86 4.39 -1.42 -4.37 1.01 -0.69 -3.95 120.40 113.51 2rq8 s VAL 15 Ca 0.38 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 63.41 2rq8 s VAL 15 Cb -0.03 -4.48 0.09 0.00 0.00 0.00 0.00 36.38 31.96 2rq8 s VAL 15 CO 0.24 -0.80 0.64 0.61 0.00 0.00 0.00 175.10 175.79 2rq8 n GLY 16 N 4.65 -0.48 0.00 4.51 0.00 -1.26 -4.82 105.19 107.79 2rq8 n GLY 16 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.03 0.00 -4.31 1.61 -0.58 -1.25 -4.56 120.64 107.52 2rq8 n GLU 17 Ca 0.01 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.56 2rq8 n GLU 17 Cb 0.53 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 0.33 1.06 -0.26 2.62 2.01 -1.25 -3.66 115.64 116.49 2rq8 s THR 18 Ca 0.00 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 2rq8 s THR 18 Cb 0.00 -0.97 0.08 0.00 0.01 0.00 0.00 72.50 71.61 2rq8 s THR 18 CO 0.00 -0.04 0.03 0.00 -0.69 0.00 0.00 174.62 173.92 2rq8 s ALA 19 N -0.90 1.70 -0.26 7.40 0.00 0.13 -3.91 121.76 125.92 2rq8 s ALA 19 Ca 0.01 -1.43 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 2rq8 s ALA 19 Cb -0.08 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2rq8 s ALA 19 CO 0.01 -1.39 0.14 -1.01 0.00 0.00 0.00 175.76 173.51 2rq8 s HIS 20 N 1.52 3.18 -0.08 0.00 3.76 -1.26 -1.69 115.29 120.73 2rq8 s HIS 20 Ca 0.02 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2rq8 s HIS 20 Cb -0.18 -2.30 0.03 0.00 1.11 0.00 0.00 32.58 31.24 2rq8 s HIS 20 CO -0.13 -0.19 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.48 2rq8 s PHE 21 N 1.54 0.98 -0.03 1.40 0.08 -1.11 -4.83 117.98 116.01 2rq8 s PHE 21 Ca 0.07 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2rq8 s PHE 21 Cb -0.15 -0.94 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2rq8 s PHE 21 CO 0.07 -0.37 -0.02 -1.83 -0.10 0.00 0.00 175.22 172.97 2rq8 s GLU 22 N 1.69 0.51 0.19 0.44 -1.05 -1.26 -2.04 118.70 117.18 2rq8 s GLU 22 Ca 0.02 -0.03 -0.04 0.00 -0.15 0.00 0.00 54.97 54.77 2rq8 s GLU 22 Cb -0.13 -0.59 -0.03 0.00 -0.44 0.00 0.00 34.13 32.94 2rq8 s GLU 22 CO -0.05 -0.07 0.19 0.96 0.95 0.00 0.00 175.26 177.23 2rq8 s ILE 23 N 0.79 0.02 0.06 1.83 -0.00 -1.21 -4.79 121.20 117.90 2rq8 s ILE 23 Ca -0.09 -1.83 0.09 0.00 -0.00 0.00 0.00 60.65 58.82 2rq8 s ILE 23 Cb -0.12 -2.32 -0.03 0.00 -0.00 0.00 0.00 42.46 39.99 2rq8 s ILE 23 CO -0.01 -0.10 -0.25 -1.61 -0.00 0.00 0.00 174.94 172.97 2rq8 s GLU 24 N -4.10 1.60 0.00 0.37 2.02 -0.83 -3.01 118.70 114.74 2rq8 s GLU 24 Ca 0.32 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2rq8 s GLU 24 Cb 0.05 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2rq8 s GLU 24 CO 0.09 0.46 0.29 1.28 0.02 0.00 0.00 175.26 177.40 2rq8 n LEU 25 N 1.63 0.58 -2.02 1.80 7.99 -1.24 -0.05 117.00 125.67 2rq8 n LEU 25 Ca -0.17 -0.64 -0.14 0.00 -0.01 0.00 0.00 56.01 55.04 2rq8 n LEU 25 Cb 0.52 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.81 2rq8 n LEU 25 CO 0.23 0.14 -0.17 -1.54 -1.51 0.00 0.00 177.39 174.55 2rq8 n SER 26 N -0.13 -4.16 -3.32 -1.43 3.41 -1.26 -4.39 113.62 102.34 2rq8 n SER 26 Ca 0.00 0.23 -0.23 0.00 -0.26 0.00 0.00 58.87 58.61 2rq8 n SER 26 Cb 0.06 -3.64 -0.09 0.00 -0.26 0.00 0.00 64.21 60.29 2rq8 n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2rq8 s GLU 27 N -4.30 0.84 0.00 4.33 0.41 -1.26 -4.97 118.70 113.75 2rq8 s GLU 27 Ca 0.00 -1.70 0.15 0.00 -0.41 0.00 0.00 54.97 53.01 2rq8 s GLU 27 Cb 0.00 -1.13 0.77 0.00 -1.78 0.00 0.00 34.13 31.99 2rq8 s GLU 27 CO 0.00 -1.33 1.40 -0.35 -0.49 0.00 0.00 175.26 174.49 2rq8 n PRO 28 N 3.22 0.24 -0.38 0.39 -0.04 -1.26 -2.28 135.00 134.89 2rq8 n PRO 28 Ca 0.23 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 2rq8 n PRO 28 Cb 0.47 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.25 3.22 -4.00 3.54 5.75 -1.26 -4.78 116.55 117.77 2rq8 n ASP 29 Ca 0.08 -2.22 -0.08 0.00 -0.01 0.00 0.00 54.79 52.55 2rq8 n ASP 29 Cb 0.11 -0.44 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 2rq8 n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2rq8 s VAL 30 N -1.64 0.18 0.41 2.12 1.01 -0.96 -5.18 120.40 116.34 2rq8 s VAL 30 Ca 0.35 -1.51 0.06 0.00 0.00 0.00 0.00 61.98 60.88 2rq8 s VAL 30 Cb 0.21 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 2rq8 s VAL 30 CO 0.18 -0.84 0.01 -1.00 0.00 0.00 0.00 175.10 173.46 2rq8 s HIS 31 N -3.69 2.43 0.23 5.22 3.76 -1.26 -4.98 115.29 116.99 2rq8 s HIS 31 Ca 0.04 -0.72 0.04 0.00 -0.15 0.00 0.00 55.06 54.27 2rq8 s HIS 31 Cb 0.06 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 2rq8 s HIS 31 CO -0.09 0.39 0.14 0.41 -0.85 0.00 0.00 174.74 174.74 2rq8 n GLY 32 N -0.96 3.44 3.06 -2.22 0.00 -1.26 -2.94 105.19 104.30 2rq8 n GLY 32 Ca -0.06 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 2rq8 n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rq8 s GLN 33 N -2.90 0.21 -0.18 1.61 -2.07 0.55 -5.00 119.66 111.89 2rq8 s GLN 33 Ca 0.19 0.25 -0.08 0.00 -1.82 0.00 0.00 55.36 53.90 2rq8 s GLN 33 Cb 0.01 0.10 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 2rq8 s GLN 33 CO 0.14 -0.03 0.11 -1.58 -1.32 0.00 0.00 175.29 172.61 2rq8 s TRP 34 N 0.10 3.39 -0.02 9.60 0.52 -1.26 -1.05 118.94 130.21 2rq8 s TRP 34 Ca -0.00 0.28 0.06 0.00 0.02 0.00 0.00 56.10 56.46 2rq8 s TRP 34 Cb -0.01 -2.09 -0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2rq8 s TRP 34 CO 0.00 0.33 -0.19 0.21 0.02 0.00 0.00 176.95 177.33 2rq8 s LYS 35 N 0.08 1.62 0.01 4.98 2.20 -0.01 -3.14 119.74 125.47 2rq8 s LYS 35 Ca 0.08 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 2rq8 s LYS 35 Cb -0.12 -1.53 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 2rq8 s LYS 35 CO -0.00 0.39 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.82 2rq8 s LEU 36 N -0.37 2.10 0.63 5.43 2.01 -1.26 -2.75 118.68 124.47 2rq8 s LEU 36 Ca 0.05 -0.25 0.34 0.00 0.01 0.00 0.00 54.13 54.29 2rq8 s LEU 36 Cb -0.08 -0.13 1.93 0.00 0.01 0.00 0.00 46.19 47.92 2rq8 s LEU 36 CO -0.00 -0.07 2.18 0.50 1.01 0.00 0.00 176.35 179.97 2rq8 h LYS 37 N 5.47 0.00 0.01 1.70 1.63 -1.98 -3.10 116.57 120.30 2rq8 h LYS 37 Ca -0.30 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2rq8 h LYS 37 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2rq8 h LYS 37 CO 0.47 0.00 -0.00 0.78 -3.45 0.00 0.00 179.45 177.24 2rq8 h GLY 38 N 0.00 -0.01 -1.49 5.01 0.00 -1.96 -3.47 103.07 101.15 2rq8 h GLY 38 Ca 0.03 0.01 -0.51 0.00 0.00 0.00 0.00 47.33 46.86 2rq8 h GLY 38 CO -0.00 -0.01 0.36 1.20 0.00 0.00 0.00 176.54 178.09 2rq8 s GLN 39 N -1.27 2.81 -0.01 4.80 -1.52 -1.17 -4.99 119.66 118.30 2rq8 s GLN 39 Ca -0.00 1.16 -0.24 0.00 -1.95 0.00 0.00 55.36 54.32 2rq8 s GLN 39 Cb 0.00 -1.97 -0.19 0.00 -0.22 0.00 0.00 33.01 30.64 2rq8 s GLN 39 CO 0.01 -1.22 1.28 -1.00 -0.25 0.00 0.00 175.29 174.11 2rq8 h PRO 40 N -0.42 0.10 0.00 2.91 0.13 -1.91 -3.39 132.00 129.41 2rq8 h PRO 40 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2rq8 h PRO 40 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2rq8 h PRO 40 CO 0.55 0.56 0.00 1.28 -0.23 0.00 0.00 178.00 180.16 2rq8 n LEU 41 N -4.77 0.00 -4.91 1.56 4.77 -1.26 -4.89 117.00 107.50 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 0.28 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2rq8 n LEU 41 CO 0.35 0.00 0.54 0.00 -1.33 0.00 0.00 177.39 176.95 2rq8 s ALA 42 N -1.63 3.28 -0.84 -1.18 0.00 -1.19 -4.33 121.76 115.86 2rq8 s ALA 42 Ca 0.00 -0.54 -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 -0.67 0.73 0.00 0.00 0.00 0.00 175.76 175.82 2rq8 n ALA 43 N -2.53 -0.96 -0.86 0.00 0.00 -1.26 -4.99 120.51 109.90 2rq8 n ALA 43 Ca 0.04 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 2rq8 n ALA 43 Cb 0.56 -3.19 0.16 0.00 0.00 0.00 0.00 19.45 16.98 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 3.10 0.00 0.00 0.01 -1.26 -4.89 113.70 107.27 2rq8 s SER 44 Ca 0.28 1.95 0.14 0.00 1.31 0.00 0.00 55.95 59.63 2rq8 s SER 44 Cb -0.12 -2.48 0.67 0.00 0.21 0.00 0.00 66.02 64.29 2rq8 s SER 44 CO 0.47 -2.95 1.43 -0.81 0.41 0.00 0.00 173.24 171.79 2rq8 n PRO 45 N -4.12 0.10 -0.09 12.44 -0.04 -1.26 -2.16 135.00 139.87 2rq8 n PRO 45 Ca 0.10 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 2rq8 n PRO 45 Cb 0.53 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 2rq8 n PRO 45 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2rq8 n ASP 46 N -1.40 2.01 -4.29 3.54 5.75 -1.26 -5.05 116.55 115.86 2rq8 n ASP 46 Ca 0.05 -2.72 -0.15 0.00 -0.01 0.00 0.00 54.79 51.96 2rq8 n ASP 46 Cb 0.14 -0.31 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rq8 s GLU 48 N -3.94 0.68 -0.31 0.00 0.41 -1.14 -4.57 118.70 109.82 2rq8 s GLU 48 Ca 0.29 0.00 -0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2rq8 s GLU 48 Cb 0.06 -0.85 0.07 0.00 -1.78 0.00 0.00 34.13 31.63 2rq8 s GLU 48 CO 0.08 -0.18 0.01 0.42 -0.49 0.00 0.00 175.26 175.11 2rq8 s ILE 49 N 1.35 2.76 -0.08 -1.63 1.01 -1.26 -2.21 121.20 121.14 2rq8 s ILE 49 Ca -0.04 -1.67 0.02 0.00 0.00 0.00 0.00 60.65 58.95 2rq8 s ILE 49 Cb -0.13 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2rq8 s ILE 49 CO -0.02 -0.25 -0.13 -0.63 0.00 0.00 0.00 174.94 173.91 2rq8 s ILE 50 N 1.15 3.17 -0.33 2.92 -1.09 -0.82 -4.99 121.20 121.21 2rq8 s ILE 50 Ca -0.02 -0.66 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 2rq8 s ILE 50 Cb -0.20 -2.28 0.09 0.00 -1.58 0.00 0.00 42.46 38.49 2rq8 s ILE 50 CO -0.03 0.57 0.03 -1.61 -1.23 0.00 0.00 174.94 172.67 2rq8 s GLU 51 N -0.35 1.62 -0.55 2.79 8.01 -1.26 -1.14 118.70 127.82 2rq8 s GLU 51 Ca 0.04 -1.80 -0.16 0.00 0.01 0.00 0.00 54.97 53.06 2rq8 s GLU 51 Cb -0.13 -3.18 0.12 0.00 -4.31 0.00 0.00 34.13 26.64 2rq8 s GLU 51 CO 0.02 -0.89 0.53 0.34 0.01 0.00 0.00 175.26 175.27 2rq8 s ASP 52 N 0.97 6.19 0.11 -0.19 -1.08 -0.91 -4.89 116.67 116.87 2rq8 s ASP 52 Ca 0.08 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 2rq8 s ASP 52 Cb -0.19 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 2rq8 s ASP 52 CO -0.07 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 175.33 2rq8 n GLY 53 N 5.25 1.90 0.00 2.66 0.00 -1.26 -2.69 105.19 111.05 2rq8 n GLY 53 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 5.61 -3.33 1.61 0.00 -1.26 -4.20 118.16 116.58 2rq8 n LYS 54 Ca 0.00 -0.06 -0.30 0.00 -0.00 0.00 0.00 58.31 57.95 2rq8 n LYS 54 Cb 0.00 -0.52 -0.04 0.00 -0.00 0.00 0.00 35.03 34.47 2rq8 n LYS 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2rq8 s LYS 55 N -0.82 3.70 -0.07 -1.58 1.02 -1.09 -3.73 119.74 117.18 2rq8 s LYS 55 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2rq8 s LYS 55 Cb 0.00 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2rq8 s LYS 55 CO 0.00 0.24 -0.09 -1.01 -0.92 0.00 0.00 175.35 173.56 2rq8 s HIS 56 N -2.00 1.29 -0.08 3.18 3.76 -1.16 -2.15 115.29 118.12 2rq8 s HIS 56 Ca 0.46 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2rq8 s HIS 56 Cb -0.11 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.56 2rq8 s HIS 56 CO 0.27 -0.30 -0.18 -1.50 -0.85 0.00 0.00 174.74 172.18 2rq8 s ILE 57 N 0.95 2.70 -0.11 0.60 1.10 -0.29 -3.33 121.20 122.81 2rq8 s ILE 57 Ca -0.10 -0.82 -0.00 0.00 -0.51 0.00 0.00 60.65 59.22 2rq8 s ILE 57 Cb -0.15 -2.06 0.02 0.00 0.15 0.00 0.00 42.46 40.42 2rq8 s ILE 57 CO 0.00 0.56 -0.08 -0.22 -2.11 0.00 0.00 174.94 173.10 2rq8 s LEU 58 N -0.12 1.20 -0.24 8.50 1.98 -0.87 -1.94 118.68 127.20 2rq8 s LEU 58 Ca -0.03 -0.30 -0.07 0.00 -2.89 0.00 0.00 54.13 50.84 2rq8 s LEU 58 Cb -0.14 -0.83 -0.03 0.00 0.66 0.00 0.00 46.19 45.85 2rq8 s LEU 58 CO 0.04 -0.11 0.06 -0.63 -1.89 0.00 0.00 176.35 173.82 2rq8 s ILE 59 N 1.65 4.31 -0.16 6.68 1.01 -0.94 -2.74 121.20 131.01 2rq8 s ILE 59 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 2rq8 s ILE 59 Cb -0.13 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 2rq8 s ILE 59 CO -0.07 0.36 -0.14 -0.22 0.00 0.00 0.00 174.94 174.87 2rq8 s LEU 60 N 1.40 2.56 -0.06 2.97 0.20 -0.68 -2.89 118.68 122.17 2rq8 s LEU 60 Ca 0.05 -0.43 0.07 0.00 0.69 0.00 0.00 54.13 54.51 2rq8 s LEU 60 Cb -0.15 -1.59 0.32 0.00 -0.43 0.00 0.00 46.19 44.34 2rq8 s LEU 60 CO 0.03 0.09 1.09 1.41 -0.29 0.00 0.00 176.35 178.69 2rq8 n HIS 61 N 4.02 0.71 -3.26 5.38 8.25 -1.26 0.18 115.22 129.24 2rq8 n HIS 61 Ca -0.19 -0.27 -0.05 0.00 -0.26 0.00 0.00 57.72 56.95 2rq8 n HIS 61 Cb 0.52 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 2rq8 n HIS 61 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2rq8 s ASN 62 N -0.56 -0.58 -0.27 0.41 0.01 -1.24 -4.36 114.94 108.35 2rq8 s ASN 62 Ca 0.22 -1.01 0.12 0.00 -0.71 0.00 0.00 52.86 51.48 2rq8 s ASN 62 Cb 0.15 1.47 0.67 0.00 0.41 0.00 0.00 41.25 43.95 2rq8 s ASN 62 CO 0.09 -0.21 1.65 0.00 -1.51 0.00 0.00 177.10 177.12 2rq8 s GLN 64 N -2.95 2.33 -0.10 0.00 -2.07 -1.26 -4.18 119.66 111.43 2rq8 s GLN 64 Ca 0.50 -0.29 0.14 0.00 -1.82 0.00 0.00 55.36 53.90 2rq8 s GLN 64 Cb 0.40 -5.04 0.30 0.00 -1.09 0.00 0.00 33.01 27.59 2rq8 s GLN 64 CO 0.11 -3.73 1.15 1.28 -1.32 0.00 0.00 175.29 172.78 2rq8 n LEU 65 N 15.05 1.68 0.00 2.60 7.99 -1.26 -4.91 117.00 138.15 2rq8 n LEU 65 Ca 0.42 -2.67 0.00 0.00 -0.01 0.00 0.00 56.01 53.75 2rq8 n LEU 65 Cb 0.46 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2rq8 n LEU 65 CO 0.60 0.78 0.00 0.61 -1.51 0.00 0.00 177.39 177.87 2rq8 n GLY 66 N -0.62 -2.03 0.37 -0.72 0.00 -1.26 -4.03 105.19 96.90 2rq8 n GLY 66 Ca 0.11 -1.59 0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.02 1.61 2.86 -1.96 -3.40 114.93 112.02 2rq8 h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2rq8 h MET 67 Cb 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 31.45 2rq8 h MET 67 CO 0.00 0.00 0.11 0.95 1.06 0.00 0.00 176.91 179.03 2rq8 s THR 68 N -4.76 -0.00 0.22 2.22 -4.23 -1.26 -2.88 115.64 104.95 2rq8 s THR 68 Ca -0.05 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 2rq8 s THR 68 Cb 0.17 -0.99 -0.05 0.00 1.34 0.00 0.00 72.50 72.97 2rq8 s THR 68 CO 0.61 0.00 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.84 2rq8 s GLY 69 N 0.49 1.51 -0.27 3.99 0.00 -0.39 -4.94 107.32 107.71 2rq8 s GLY 69 Ca -0.01 -1.74 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 2rq8 s GLY 69 CO -0.01 -1.67 0.03 1.85 0.00 0.00 0.00 173.10 173.30 2rq8 s GLU 70 N -3.83 3.10 -0.19 2.90 2.12 -1.26 -0.08 118.70 121.46 2rq8 s GLU 70 Ca 0.27 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 2rq8 s GLU 70 Cb 0.05 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 2rq8 s GLU 70 CO 0.08 -0.39 0.26 0.54 -0.54 0.00 0.00 175.26 175.21 2rq8 s VAL 71 N 1.46 5.31 -0.17 3.70 0.11 -1.08 -4.67 120.40 125.07 2rq8 s VAL 71 Ca 0.03 0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 59.51 2rq8 s VAL 71 Cb -0.17 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 2rq8 s VAL 71 CO 0.00 0.36 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.61 2rq8 s SER 72 N 0.67 4.21 -0.03 3.54 0.01 -1.11 -2.25 113.70 118.73 2rq8 s SER 72 Ca 0.14 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2rq8 s SER 72 Cb -0.13 -1.68 0.01 0.00 0.21 0.00 0.00 66.02 64.43 2rq8 s SER 72 CO 0.04 0.10 -0.08 0.12 0.41 0.00 0.00 173.24 173.82 2rq8 s PHE 73 N 0.75 0.96 -0.23 2.43 5.36 0.58 -0.83 117.98 127.01 2rq8 s PHE 73 Ca -0.04 -0.26 -0.05 0.00 -0.96 0.00 0.00 56.93 55.62 2rq8 s PHE 73 Cb -0.15 -0.71 -0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2rq8 s PHE 73 CO 0.02 -0.14 0.00 -1.14 -1.46 0.00 0.00 175.22 172.50 2rq8 s GLN 74 N 0.38 3.50 -0.47 10.12 0.74 -0.21 -1.71 119.66 132.00 2rq8 s GLN 74 Ca -0.06 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 54.80 2rq8 s GLN 74 Cb -0.10 -3.12 0.12 0.00 1.10 0.00 0.00 33.01 31.01 2rq8 s GLN 74 CO 0.01 -0.16 0.23 0.00 -0.55 0.00 0.00 175.29 174.81 2rq8 s ALA 75 N 1.45 3.22 -0.66 1.58 0.00 -1.16 -0.33 121.76 125.87 2rq8 s ALA 75 Ca 0.05 -2.94 -0.01 0.00 0.00 0.00 0.00 51.96 49.06 2rq8 s ALA 75 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2rq8 s ALA 75 CO -0.00 -1.91 0.64 0.00 0.00 0.00 0.00 175.76 174.50 2rq8 n ALA 76 N 3.77 -2.49 -4.04 0.00 0.00 -1.15 -3.30 120.51 113.31 2rq8 n ALA 76 Ca 0.04 0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 2rq8 n ALA 76 Cb 0.38 -1.60 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2rq8 n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rq8 n ASN 77 N -1.59 -3.20 -4.19 0.00 5.15 -1.26 -4.90 115.26 105.27 2rq8 n ASN 77 Ca 0.01 -0.92 -0.23 0.00 -0.60 0.00 0.00 54.58 52.84 2rq8 n ASN 77 Cb 0.49 -3.29 -0.14 0.00 -0.53 0.00 0.00 39.78 36.31 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2rq8 s THR 78 N -3.43 1.40 -0.28 -0.44 2.01 -1.21 -5.07 115.64 108.62 2rq8 s THR 78 Ca 0.54 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 2rq8 s THR 78 Cb -0.28 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2rq8 s THR 78 CO 0.88 0.19 0.43 -0.75 -0.69 0.00 0.00 174.62 174.68 2rq8 s LYS 79 N -0.96 3.96 -0.08 4.92 2.36 -1.26 -2.99 119.74 125.69 2rq8 s LYS 79 Ca 0.05 0.08 -0.00 0.00 -2.55 0.00 0.00 55.97 53.55 2rq8 s LYS 79 Cb -0.08 -3.68 0.02 0.00 -1.05 0.00 0.00 37.83 33.05 2rq8 s LYS 79 CO 0.01 -0.35 -0.05 -1.12 1.55 0.00 0.00 175.35 175.39 2rq8 s SER 80 N 1.63 1.76 -0.04 1.43 0.01 -0.70 -5.01 113.70 112.78 2rq8 s SER 80 Ca 0.17 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2rq8 s SER 80 Cb -0.16 -0.63 0.02 0.00 0.21 0.00 0.00 66.02 65.46 2rq8 s SER 80 CO 0.10 -0.13 -0.02 0.00 0.41 0.00 0.00 173.24 173.61 2rq8 s ALA 81 N 1.64 0.51 0.20 1.44 0.00 -1.26 -0.30 121.76 123.98 2rq8 s ALA 81 Ca 0.02 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.09 2rq8 s ALA 81 Cb -0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 2rq8 s ALA 81 CO -0.05 -0.11 -0.15 0.00 0.00 0.00 0.00 175.76 175.45 2rq8 s ALA 82 N 1.12 2.03 -0.17 0.00 0.00 -0.96 -4.96 121.76 118.82 2rq8 s ALA 82 Ca -0.08 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.00 2rq8 s ALA 82 Cb -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2rq8 s ALA 82 CO -0.01 0.09 0.72 1.21 0.00 0.00 0.00 175.76 177.77 2rq8 s ASN 83 N -3.25 6.83 -0.21 0.00 2.47 -1.26 -2.64 114.94 116.88 2rq8 s ASN 83 Ca 0.22 1.01 -0.12 0.00 0.42 0.00 0.00 52.86 54.38 2rq8 s ASN 83 Cb -0.01 -2.40 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 2rq8 s ASN 83 CO 0.07 -0.31 0.24 -0.22 -3.72 0.00 0.00 177.10 173.17 2rq8 s LEU 84 N 1.88 4.17 -0.35 3.21 1.98 0.88 -3.32 118.68 127.13 2rq8 s LEU 84 Ca 0.34 0.31 -0.04 0.00 -2.89 0.00 0.00 54.13 51.85 2rq8 s LEU 84 Cb -0.16 -2.26 0.07 0.00 0.66 0.00 0.00 46.19 44.49 2rq8 s LEU 84 CO 0.12 0.05 0.11 -0.75 -1.89 0.00 0.00 176.35 173.99 2rq8 s LYS 85 N 0.90 2.38 0.02 1.98 2.20 -1.13 -1.26 119.74 124.83 2rq8 s LYS 85 Ca 0.12 -1.41 -0.22 0.00 -0.36 0.00 0.00 55.97 54.10 2rq8 s LYS 85 Cb -0.13 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2rq8 s LYS 85 CO 0.04 -0.79 0.66 0.08 -0.36 0.00 0.00 175.35 174.99 2rq8 s VAL 86 N 1.28 4.83 0.12 4.02 1.01 -1.14 -2.28 120.40 128.23 2rq8 s VAL 86 Ca 0.00 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.44 2rq8 s VAL 86 Cb -0.21 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2rq8 s VAL 86 CO -0.01 0.40 -0.02 -0.75 0.00 0.00 0.00 175.10 174.72 2rq8 s LYS 87 N -0.16 2.42 0.29 2.72 2.36 0.10 -4.80 119.74 122.68 2rq8 s LYS 87 Ca 0.34 -0.95 -0.05 0.00 -2.55 0.00 0.00 55.97 52.76 2rq8 s LYS 87 Cb -0.19 -2.44 -0.05 0.00 -1.05 0.00 0.00 37.83 34.09 2rq8 s LYS 87 CO 0.20 0.51 0.56 -2.00 1.55 0.00 0.00 175.35 176.16 2rq8 s GLU 88 N -2.46 3.64 -0.64 4.03 2.56 -1.26 -1.71 118.70 122.87 2rq8 s GLU 88 Ca 0.25 0.03 -0.26 0.00 0.00 0.00 0.00 54.97 54.99 2rq8 s GLU 88 Cb -0.11 -2.64 -0.02 0.00 2.00 0.00 0.00 34.13 33.36 2rq8 s GLU 88 CO 0.17 0.21 1.83 -0.51 -0.56 0.00 0.00 175.26 176.41 2rq8 s LEU 89 N -3.53 3.27 -0.30 2.70 1.02 -1.26 -4.86 118.68 115.72 2rq8 s LEU 89 Ca 0.44 0.20 -0.14 0.00 0.02 0.00 0.00 54.13 54.66 2rq8 s LEU 89 Cb -0.11 -2.53 0.17 0.00 0.02 0.00 0.00 46.19 43.74 2rq8 s LEU 89 CO 0.30 -2.37 0.99 -0.22 0.02 0.00 0.00 176.35 175.06 2rq8 s LEU 90 N 8.95 -0.58 0.04 1.79 1.98 -1.26 -5.18 118.68 124.42 2rq8 s LEU 90 Ca 0.65 0.63 0.01 0.00 -2.89 0.00 0.00 54.13 52.54 2rq8 s LEU 90 Cb -0.12 1.60 -0.03 0.00 0.66 0.00 0.00 46.19 48.30 2rq8 s LEU 90 CO 0.18 -0.11 -0.06 -0.70 -1.89 0.00 0.00 176.35 173.77 2rq8 s GLU 91 N 2.60 0.50 0.36 1.98 2.12 -1.26 -5.17 118.70 119.83 2rq8 s GLU 91 Ca -0.00 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2rq8 s GLU 91 Cb -0.08 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 2rq8 s GLU 91 CO -0.16 0.01 0.11 -1.01 -0.54 0.00 0.00 175.26 173.67 2rq8 s HIS 92 N -1.70 1.80 -0.04 5.30 3.76 -1.26 -5.09 115.29 118.07 2rq8 s HIS 92 Ca -0.09 -1.19 -0.17 0.00 -0.15 0.00 0.00 55.06 53.46 2rq8 s HIS 92 Cb -0.08 -1.15 -0.11 0.00 1.11 0.00 0.00 32.58 32.36 2rq8 s HIS 92 CO -0.01 -0.23 0.73 0.45 -0.85 0.00 0.00 174.74 174.83 2rq8 h HIS 93 N 1.97 -0.43 -6.33 1.40 -0.00 -2.09 -3.47 115.15 106.20 2rq8 h HIS 93 Ca -0.37 -0.01 -0.46 0.00 -0.00 0.00 0.00 60.37 59.53 2rq8 h HIS 93 Cb 1.26 0.14 0.02 0.00 -0.00 0.00 0.00 27.41 28.83 2rq8 h HIS 93 CO 1.11 -0.17 -0.09 -2.39 -0.00 0.00 0.00 177.93 176.39 2rq8 n HIS 94 N -5.09 -2.14 -4.02 2.45 1.44 -1.26 -5.14 115.22 101.46 2rq8 n HIS 94 Ca -0.07 -1.99 -0.14 0.00 -2.01 0.00 0.00 57.72 53.51 2rq8 n HIS 94 Cb 0.23 -0.50 -0.14 0.00 0.12 0.00 0.00 29.99 29.70 2rq8 n HIS 94 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2rq8 s HIS 95 N -2.37 0.25 0.19 -1.40 2.46 -1.26 -5.16 115.29 108.00 2rq8 s HIS 95 Ca 0.53 -0.07 0.11 0.00 0.47 0.00 0.00 55.06 56.11 2rq8 s HIS 95 Cb -0.04 -0.16 -0.04 0.00 -0.13 0.00 0.00 32.58 32.21 2rq8 s HIS 95 CO 0.34 -0.01 -0.23 -1.58 -2.47 0.00 0.00 174.74 170.78 2rq8 s HIS 96 N -0.13 2.32 -2.00 3.88 2.46 -1.26 -5.26 115.29 115.31 2rq8 s HIS 96 Ca 0.00 -0.35 0.08 0.00 0.47 0.00 0.00 55.06 55.26 2rq8 s HIS 96 Cb -0.01 -1.16 0.47 0.00 -0.13 0.00 0.00 32.58 31.74 2rq8 s HIS 96 CO -0.00 0.49 0.92 1.58 -2.47 0.00 0.00 174.74 175.26