#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqo s ARG 4 N 0.00 0.89 0.54 -1.46 0.52 -1.26 -4.81 118.95 113.38 2wqo s ARG 4 Ca 0.00 -1.10 0.28 0.00 -0.52 0.00 0.00 55.73 54.39 2wqo s ARG 4 Cb 0.00 -0.78 1.45 0.00 0.52 0.00 0.00 34.95 36.14 2wqo s ARG 4 CO 0.00 0.15 1.94 0.00 0.02 0.00 0.00 175.30 177.42 2wqo h ALA 5 N 3.84 2.59 0.00 2.13 0.00 -1.95 -0.20 119.26 125.68 2wqo h ALA 5 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wqo h ALA 5 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wqo h ALA 5 CO 0.47 -0.84 0.00 0.39 0.00 0.00 0.00 179.25 179.27 2wqo n GLU 6 N -4.23 0.11 0.00 0.00 4.71 -1.26 -2.06 120.64 117.91 2wqo n GLU 6 Ca 0.13 0.33 0.11 0.00 -0.01 0.00 0.00 57.16 57.71 2wqo n GLU 6 Cb 0.76 -1.70 0.48 0.00 -1.01 0.00 0.00 31.44 29.97 2wqo n GLU 6 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2wqo n ASP 7 N -1.91 0.00 -4.30 1.62 8.00 -0.09 -4.79 116.55 115.08 2wqo n ASP 7 Ca 0.03 0.46 -0.26 0.00 0.71 0.00 0.00 54.79 55.74 2wqo n ASP 7 Cb 0.22 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 2wqo n ASP 7 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wqo s TYR 8 N -2.97 1.93 -0.16 1.24 1.51 -0.87 -1.07 117.35 116.96 2wqo s TYR 8 Ca 0.12 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2wqo s TYR 8 Cb 0.15 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2wqo s TYR 8 CO 0.40 0.18 0.03 -1.21 -1.11 0.00 0.00 175.55 173.85 2wqo s GLU 9 N -1.64 3.76 0.10 -0.62 2.02 -0.28 -4.93 118.70 117.11 2wqo s GLU 9 Ca 0.08 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.37 2wqo s GLU 9 Cb -0.10 -3.08 -0.07 0.00 0.10 0.00 0.00 34.13 30.98 2wqo s GLU 9 CO 0.04 0.33 1.31 0.08 0.02 0.00 0.00 175.26 177.04 2wqo s VAL 10 N 0.17 3.60 -0.17 2.63 1.01 -1.26 -0.51 120.40 125.86 2wqo s VAL 10 Ca 0.03 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 2wqo s VAL 10 Cb -0.13 -3.74 -0.22 0.00 0.00 0.00 0.00 36.38 32.29 2wqo s VAL 10 CO 0.01 0.09 0.23 0.18 0.00 0.00 0.00 175.10 175.61 2wqo n LEU 11 N 3.88 2.35 -3.60 3.92 4.77 0.48 -4.92 117.00 123.87 2wqo n LEU 11 Ca 0.10 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2wqo n LEU 11 Cb 0.44 -1.04 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 2wqo n LEU 11 CO 0.57 0.64 1.15 -0.72 -1.33 0.00 0.00 177.39 177.70 2wqo s TYR 12 N -2.49 -0.03 -0.00 -1.77 -0.85 -1.16 -5.02 117.35 106.04 2wqo s TYR 12 Ca -0.26 0.00 -0.26 0.00 -0.52 0.00 0.00 57.07 56.02 2wqo s TYR 12 Cb 0.07 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 2wqo s TYR 12 CO 0.68 -0.09 0.83 0.99 -1.52 0.00 0.00 175.55 176.44 2wqo s THR 13 N -2.16 4.86 -0.15 -3.49 2.01 -1.26 -0.64 115.64 114.81 2wqo s THR 13 Ca 0.13 1.74 -0.20 0.00 0.31 0.00 0.00 61.69 63.66 2wqo s THR 13 Cb 0.03 -4.17 -0.18 0.00 0.01 0.00 0.00 72.50 68.19 2wqo s THR 13 CO -0.04 0.26 0.42 0.40 -0.69 0.00 0.00 174.62 174.97 2wqo h ILE 14 N 4.53 1.12 -3.28 1.82 2.04 -0.06 -3.46 117.51 120.22 2wqo h ILE 14 Ca -0.42 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.47 2wqo h ILE 14 Cb 1.21 2.23 -0.10 0.00 -0.74 0.00 0.00 36.82 39.41 2wqo h ILE 14 CO 0.74 0.38 0.05 -0.83 0.00 0.00 0.00 178.15 178.48 2wqo s GLY 15 N -4.25 -0.11 -0.07 5.37 0.00 -1.02 -5.00 107.32 102.25 2wqo s GLY 15 Ca -0.17 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2wqo s GLY 15 CO 0.50 -0.24 -0.16 -1.59 0.00 0.00 0.00 173.10 171.62 2wqo s THR 16 N -3.87 1.38 0.00 0.90 2.01 -1.26 -0.09 115.64 114.70 2wqo s THR 16 Ca 0.09 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2wqo s THR 16 Cb -0.01 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.28 2wqo s THR 16 CO -0.03 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2wqo n GLY 20 N 3.62 0.00 3.15 4.40 0.00 -1.26 -5.01 105.19 110.09 2wqo n GLY 20 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2wqo n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wqo s ARG 21 N 0.00 0.50 -0.03 1.61 3.52 -1.15 -4.97 118.95 118.43 2wqo s ARG 21 Ca 0.00 -0.18 0.07 0.00 -0.13 0.00 0.00 55.73 55.49 2wqo s ARG 21 Cb 0.00 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 2wqo s ARG 21 CO 0.00 -0.12 -0.24 0.00 -0.81 0.00 0.00 175.30 174.13 2wqo s GLN 23 N -0.52 0.21 -0.00 0.00 -0.21 -0.61 0.70 119.66 119.22 2wqo s GLN 23 Ca 0.07 -0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 2wqo s GLN 23 Cb -0.11 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 2wqo s GLN 23 CO 0.00 0.05 1.00 0.21 -2.12 0.00 0.00 175.29 174.44 2wqo s LYS 24 N -0.14 4.53 0.16 2.91 2.20 0.19 -1.33 119.74 128.26 2wqo s LYS 24 Ca 0.00 1.45 0.05 0.00 -0.36 0.00 0.00 55.97 57.11 2wqo s LYS 24 Cb -0.01 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2wqo s LYS 24 CO -0.00 -0.10 -0.10 0.96 -0.36 0.00 0.00 175.35 175.75 2wqo s ILE 25 N 1.11 1.24 -0.09 5.43 -4.36 -0.27 -0.39 121.20 123.88 2wqo s ILE 25 Ca 0.52 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 2wqo s ILE 25 Cb -0.22 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.62 2wqo s ILE 25 CO 0.27 -0.71 -0.15 -0.60 0.24 0.00 0.00 174.94 173.99 2wqo s ARG 26 N -3.74 2.12 -0.07 0.37 3.52 0.33 -0.98 118.95 120.50 2wqo s ARG 26 Ca 0.18 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.94 2wqo s ARG 26 Cb 0.02 -1.77 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 2wqo s ARG 26 CO 0.02 -0.01 1.16 0.50 -0.81 0.00 0.00 175.30 176.15 2wqo s ARG 27 N 0.84 4.37 0.17 5.12 3.52 -0.41 -1.12 118.95 131.43 2wqo s ARG 27 Ca -0.10 1.61 -0.12 0.00 -0.13 0.00 0.00 55.73 56.98 2wqo s ARG 27 Cb -0.15 -3.55 0.07 0.00 -1.56 0.00 0.00 34.95 29.76 2wqo s ARG 27 CO 0.01 -0.42 1.75 0.87 -0.81 0.00 0.00 175.30 176.70 2wqo h LYS 28 N 7.37 0.86 -0.71 5.12 1.57 -1.44 0.31 116.57 129.65 2wqo h LYS 28 Ca -0.33 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.39 2wqo h LYS 28 Cb 1.16 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2wqo h LYS 28 CO 0.88 0.71 0.47 0.66 -0.57 0.00 0.00 179.45 181.60 2wqo h SER 29 N 0.81 0.59 0.00 0.86 4.64 -1.92 -3.31 113.55 115.21 2wqo h SER 29 Ca 0.20 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2wqo h SER 29 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wqo h SER 29 CO -0.02 0.36 0.00 -0.90 -0.87 0.00 0.00 176.83 175.40 2wqo n ASP 30 N -4.49 0.12 -0.16 4.97 5.75 -1.19 -5.02 116.55 116.52 2wqo n ASP 30 Ca 0.11 -1.01 -0.02 0.00 -0.01 0.00 0.00 54.79 53.86 2wqo n ASP 30 Cb 0.29 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 2wqo n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wqo n GLY 31 N -0.00 0.52 3.67 6.12 0.00 0.11 -4.99 105.19 110.61 2wqo n GLY 31 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2wqo n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wqo s LYS 32 N -1.25 4.19 -0.01 1.61 2.47 -1.22 -4.67 119.74 120.87 2wqo s LYS 32 Ca 0.00 2.24 -0.30 0.00 -1.56 0.00 0.00 55.97 56.35 2wqo s LYS 32 Cb 0.00 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.46 2wqo s LYS 32 CO 0.00 -0.81 1.18 0.42 0.16 0.00 0.00 175.35 176.30 2wqo s ILE 33 N 3.60 4.24 0.19 5.43 -1.09 -1.26 -1.29 121.20 131.02 2wqo s ILE 33 Ca 0.74 1.59 0.04 0.00 -2.23 0.00 0.00 60.65 60.79 2wqo s ILE 33 Cb -0.36 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2wqo s ILE 33 CO 0.31 0.06 0.15 0.18 -1.23 0.00 0.00 174.94 174.41 2wqo n LEU 34 N 4.58 0.00 -4.16 2.97 4.77 -0.16 -4.35 117.00 120.66 2wqo n LEU 34 Ca 0.10 -1.76 -0.10 0.00 -0.03 0.00 0.00 56.01 54.21 2wqo n LEU 34 Cb 0.47 0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 42.37 2wqo n LEU 34 CO 0.55 -0.29 -0.38 0.68 -1.33 0.00 0.00 177.39 176.62 2wqo s VAL 35 N -2.73 0.62 0.09 4.08 -7.23 -0.50 -1.11 120.40 113.62 2wqo s VAL 35 Ca 0.22 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 2wqo s VAL 35 Cb 0.01 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 2wqo s VAL 35 CO 0.15 -0.88 -0.11 -1.66 -0.31 0.00 0.00 175.10 172.29 2wqo s TRP 36 N -3.61 1.09 -0.14 2.82 -2.14 -0.45 -0.56 118.94 115.96 2wqo s TRP 36 Ca 0.11 -0.60 -0.04 0.00 2.66 0.00 0.00 56.10 58.23 2wqo s TRP 36 Cb 0.05 -0.60 -0.03 0.00 -3.10 0.00 0.00 33.47 29.79 2wqo s TRP 36 CO -0.05 0.02 -0.02 0.21 -2.66 0.00 0.00 176.95 174.45 2wqo s LYS 37 N -2.49 3.51 -0.30 3.25 2.20 -0.34 -1.58 119.74 123.99 2wqo s LYS 37 Ca 0.03 -0.47 -0.10 0.00 -0.36 0.00 0.00 55.97 55.07 2wqo s LYS 37 Cb -0.05 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2wqo s LYS 37 CO 0.01 0.38 0.17 -1.21 -0.36 0.00 0.00 175.35 174.34 2wqo s GLU 38 N 0.01 3.55 -0.21 4.03 2.02 0.58 -0.79 118.70 127.89 2wqo s GLU 38 Ca 0.02 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 2wqo s GLU 38 Cb -0.13 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.47 2wqo s GLU 38 CO 0.02 -0.34 -0.04 -0.51 0.02 0.00 0.00 175.26 174.41 2wqo s LEU 39 N 1.67 2.97 -0.49 1.80 2.01 0.85 -2.94 118.68 124.55 2wqo s LEU 39 Ca 0.06 -0.34 -0.26 0.00 0.01 0.00 0.00 54.13 53.60 2wqo s LEU 39 Cb -0.17 -1.75 0.03 0.00 0.01 0.00 0.00 46.19 44.32 2wqo s LEU 39 CO 0.08 0.02 0.98 -0.62 1.01 0.00 0.00 176.35 177.82 2wqo s ASP 40 N 1.25 6.49 0.00 2.29 -1.08 -1.26 -0.24 116.67 124.11 2wqo s ASP 40 Ca 0.03 0.09 0.25 0.00 -0.52 0.00 0.00 52.55 52.40 2wqo s ASP 40 Cb -0.14 -2.47 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 2wqo s ASP 40 CO -0.01 -1.15 1.41 0.00 0.52 0.00 0.00 175.17 175.93 2wqo n TYR 41 N 7.43 0.00 0.23 -5.34 0.18 -0.94 -4.46 117.16 114.26 2wqo n TYR 41 Ca 0.06 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.95 2wqo n TYR 41 Cb 0.48 -0.07 0.58 0.00 -0.38 0.00 0.00 39.34 39.96 2wqo n TYR 41 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2wqo h GLY 42 N 4.89 0.00 -1.87 -7.48 0.00 -1.88 0.61 103.07 97.33 2wqo h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wqo h GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.28 2wqo n SER 43 N -2.41 3.64 -4.90 0.19 2.88 -1.26 -5.00 113.62 106.76 2wqo n SER 43 Ca -0.01 -2.32 -0.30 0.00 -1.33 0.00 0.00 58.87 54.90 2wqo n SER 43 Cb 0.29 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.31 2wqo n SER 43 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2wqo s MET 44 N -1.58 3.36 0.86 -1.46 -1.94 0.21 -5.12 119.30 113.63 2wqo s MET 44 Ca 0.36 -0.49 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 2wqo s MET 44 Cb 0.23 -2.99 0.11 0.00 2.01 0.00 0.00 34.83 34.19 2wqo s MET 44 CO 0.18 0.60 1.18 0.95 -0.01 0.00 0.00 175.02 177.91 2wqo s THR 45 N -1.52 1.99 0.34 2.05 -4.23 -1.26 -4.88 115.64 108.14 2wqo s THR 45 Ca 0.34 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.93 2wqo s THR 45 Cb -0.13 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 70.90 2wqo s THR 45 CO 0.27 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.83 2wqo h GLU 46 N -1.25 0.23 -0.22 3.99 5.08 -1.98 -0.83 114.58 119.59 2wqo h GLU 46 Ca -0.47 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 57.62 2wqo h GLU 46 Cb 1.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2wqo h GLU 46 CO 0.63 0.49 -0.62 0.00 -1.00 0.00 0.00 179.01 178.50 2wqo h ALA 47 N 1.52 0.48 -0.54 3.43 0.00 -1.99 -0.77 119.26 121.39 2wqo h ALA 47 Ca 0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2wqo h ALA 47 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2wqo h ALA 47 CO 0.04 0.69 0.07 0.93 0.00 0.00 0.00 179.25 180.98 2wqo h GLU 48 N 0.57 0.88 -0.01 0.00 5.08 -1.87 -1.75 114.58 117.48 2wqo h GLU 48 Ca -0.01 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 2wqo h GLU 48 Cb 1.22 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2wqo h GLU 48 CO 0.13 0.83 -0.69 0.87 -1.00 0.00 0.00 179.01 179.15 2wqo h LYS 49 N 0.83 0.07 -0.41 2.33 1.57 -1.01 -1.57 116.57 118.38 2wqo h LYS 49 Ca 0.17 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2wqo h LYS 49 Cb 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2wqo h LYS 49 CO 0.01 0.73 -0.28 1.96 -0.57 0.00 0.00 179.45 181.30 2wqo h GLN 50 N 0.05 0.89 -0.14 3.15 4.20 -0.93 -1.56 115.11 120.75 2wqo h GLN 50 Ca -0.01 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.31 2wqo h GLN 50 Cb 1.22 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2wqo h GLN 50 CO 0.10 1.05 0.06 0.52 -0.67 0.00 0.00 178.83 179.89 2wqo h MET 51 N 0.75 0.14 -0.60 1.46 2.86 -1.18 -2.32 114.93 116.05 2wqo h MET 51 Ca 0.09 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2wqo h MET 51 Cb 0.84 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 2wqo h MET 51 CO 0.07 0.09 0.37 1.25 1.06 0.00 0.00 176.91 179.76 2wqo h LEU 52 N 0.14 0.62 -0.44 1.22 5.85 -1.06 -1.25 115.31 120.38 2wqo h LEU 52 Ca 0.06 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2wqo h LEU 52 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2wqo h LEU 52 CO -0.05 0.44 -0.09 0.58 -0.34 0.00 0.00 178.44 178.98 2wqo h VAL 53 N 0.74 1.27 0.04 1.05 2.07 -1.24 -0.76 116.25 119.42 2wqo h VAL 53 Ca 0.23 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2wqo h VAL 53 Cb -0.01 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2wqo h VAL 53 CO -0.09 0.41 -0.02 0.77 0.02 0.00 0.00 177.57 178.66 2wqo h SER 54 N 0.68 -0.04 -0.55 0.57 4.64 -1.23 -1.12 113.55 116.50 2wqo h SER 54 Ca 0.11 -0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2wqo h SER 54 Cb 0.62 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.65 2wqo h SER 54 CO 0.04 0.08 0.13 -0.33 -0.87 0.00 0.00 176.83 175.88 2wqo h GLU 55 N -0.16 0.27 -0.46 4.77 5.08 -1.17 -1.10 114.58 121.81 2wqo h GLU 55 Ca -0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2wqo h GLU 55 Cb 0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2wqo h GLU 55 CO 0.01 0.18 0.05 0.28 -1.00 0.00 0.00 179.01 178.53 2wqo h VAL 56 N 0.27 1.22 0.00 3.13 2.07 -1.00 -2.22 116.25 119.73 2wqo h VAL 56 Ca 0.28 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 2wqo h VAL 56 Cb 0.38 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2wqo h VAL 56 CO -0.35 0.31 -0.27 0.78 0.02 0.00 0.00 177.57 178.06 2wqo h ASN 57 N 0.69 0.00 0.54 0.57 2.35 0.02 -2.12 115.58 117.64 2wqo h ASN 57 Ca 0.15 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.61 2wqo h ASN 57 Cb 0.35 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.73 2wqo h ASN 57 CO 0.01 0.27 -1.33 -0.07 -1.65 0.00 0.00 177.43 174.65 2wqo h LEU 58 N 0.00 0.49 -1.35 1.61 3.38 -0.97 -3.25 115.31 115.22 2wqo h LEU 58 Ca -0.00 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.48 2wqo h LEU 58 Cb 0.62 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2wqo h LEU 58 CO 0.03 1.43 0.48 -0.07 0.09 0.00 0.00 178.44 180.41 2wqo h LEU 59 N 0.09 0.71 -2.08 1.67 4.07 -1.12 -2.24 115.31 116.40 2wqo h LEU 59 Ca -0.17 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 2wqo h LEU 59 Cb 2.01 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 43.60 2wqo h LEU 59 CO 0.21 0.46 -0.07 0.03 -1.08 0.00 0.00 178.44 178.00 2wqo h ARG 60 N 0.81 0.00 0.02 1.13 -0.00 -1.42 -2.97 114.38 111.94 2wqo h ARG 60 Ca 0.31 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.58 2wqo h ARG 60 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.15 2wqo h ARG 60 CO -0.10 0.07 -0.98 0.93 0.00 0.00 0.00 179.97 179.89 2wqo h GLU 61 N 0.00 0.08 -5.70 0.04 5.08 -1.50 -3.44 114.58 109.14 2wqo h GLU 61 Ca -0.00 -0.11 -0.38 0.00 -1.00 0.00 0.00 59.36 57.87 2wqo h GLU 61 Cb 0.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2wqo h GLU 61 CO 0.01 0.99 1.17 -0.51 -1.00 0.00 0.00 179.01 179.67 2wqo s LEU 62 N -7.00 3.25 -0.36 1.33 1.43 -1.12 -4.93 118.68 111.28 2wqo s LEU 62 Ca -0.01 0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2wqo s LEU 62 Cb 0.10 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.84 2wqo s LEU 62 CO 0.83 -2.88 0.14 -0.54 0.23 0.00 0.00 176.35 174.13 2wqo s LYS 63 N 7.83 2.58 -0.27 1.70 3.01 -1.26 -4.67 119.74 128.66 2wqo s LYS 63 Ca 0.84 -1.28 -0.21 0.00 -1.01 0.00 0.00 55.97 54.31 2wqo s LYS 63 Cb -0.14 -3.53 0.07 0.00 -1.01 0.00 0.00 37.83 33.22 2wqo s LYS 63 CO 0.18 -0.75 0.71 -1.58 0.51 0.00 0.00 175.35 174.42 2wqo s HIS 64 N 1.39 -0.90 0.50 3.18 2.46 -1.26 -5.04 115.29 115.62 2wqo s HIS 64 Ca -0.00 2.02 0.38 0.00 0.47 0.00 0.00 55.06 57.92 2wqo s HIS 64 Cb -0.20 0.42 1.98 0.00 -0.13 0.00 0.00 32.58 34.64 2wqo s HIS 64 CO 0.02 -0.44 2.23 -1.00 -2.47 0.00 0.00 174.74 173.08 2wqo h PRO 65 N 5.82 0.00 -0.41 2.88 0.13 -1.98 -1.67 132.00 136.77 2wqo h PRO 65 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2wqo h PRO 65 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wqo h PRO 65 CO 0.10 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 177.98 2wqo n ASN 66 N -3.29 4.65 -4.17 1.44 5.03 -1.26 -4.81 115.26 112.85 2wqo n ASN 66 Ca -0.02 -2.94 -0.28 0.00 0.87 0.00 0.00 54.58 52.21 2wqo n ASN 66 Cb 0.15 -0.60 -0.16 0.00 -1.02 0.00 0.00 39.78 38.15 2wqo n ASN 66 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wqo s ILE 67 N -2.72 1.68 -0.05 2.41 1.01 -0.63 -0.44 121.20 122.46 2wqo s ILE 67 Ca 0.47 -0.83 -0.37 0.00 0.00 0.00 0.00 60.65 59.92 2wqo s ILE 67 Cb 0.37 -1.45 -0.15 0.00 0.01 0.00 0.00 42.46 41.24 2wqo s ILE 67 CO 0.13 0.48 1.61 0.52 0.00 0.00 0.00 174.94 177.67 2wqo n VAL 68 N 3.28 0.20 -2.79 2.92 0.31 0.32 -4.58 118.33 117.99 2wqo n VAL 68 Ca -0.19 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 2wqo n VAL 68 Cb 0.53 -1.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.17 2wqo n VAL 68 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wqo s ARG 69 N 2.19 4.22 -0.42 5.55 6.06 -1.26 -4.97 118.95 130.33 2wqo s ARG 69 Ca 0.90 1.12 -0.17 0.00 -2.50 0.00 0.00 55.73 55.08 2wqo s ARG 69 Cb -0.90 -3.64 0.02 0.00 0.06 0.00 0.00 34.95 30.49 2wqo s ARG 69 CO 0.52 -0.55 0.43 0.71 -2.50 0.00 0.00 175.30 173.91 2wqo s TYR 70 N 2.95 3.18 -0.10 5.12 1.51 -1.26 -1.58 117.35 127.16 2wqo s TYR 70 Ca 0.39 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.83 2wqo s TYR 70 Cb -0.15 -2.87 -0.28 0.00 -0.11 0.00 0.00 41.96 38.56 2wqo s TYR 70 CO 0.07 -0.69 0.73 1.88 -1.11 0.00 0.00 175.55 176.43 2wqo h TYR 71 N 8.72 0.30 -3.65 2.71 -1.99 -0.97 -3.42 116.97 118.66 2wqo h TYR 71 Ca -0.26 -0.22 -0.07 0.00 2.00 0.00 0.00 58.73 60.18 2wqo h TYR 71 Cb 1.11 -0.01 -0.13 0.00 2.00 0.00 0.00 36.73 39.70 2wqo h TYR 71 CO 0.62 1.27 -0.22 0.34 -0.00 0.00 0.00 178.16 180.17 2wqo s ASP 72 N -6.73 -0.05 -0.05 3.88 2.15 -1.08 -5.01 116.67 109.79 2wqo s ASP 72 Ca -0.18 -0.62 0.02 0.00 0.43 0.00 0.00 52.55 52.20 2wqo s ASP 72 Cb 0.01 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.09 2wqo s ASP 72 CO 0.75 -0.87 -0.07 0.00 -0.17 0.00 0.00 175.17 174.81 2wqo s ARG 73 N -3.89 1.14 -0.08 4.34 1.70 -1.26 -1.24 118.95 119.66 2wqo s ARG 73 Ca 0.09 -0.22 0.04 0.00 -0.47 0.00 0.00 55.73 55.18 2wqo s ARG 73 Cb 0.03 -1.03 -0.00 0.00 -0.57 0.00 0.00 34.95 33.37 2wqo s ARG 73 CO -0.06 -0.04 -0.22 0.42 -1.08 0.00 0.00 175.30 174.32 2wqo s ILE 74 N 0.80 1.91 -0.17 4.99 1.01 0.64 -4.95 121.20 125.42 2wqo s ILE 74 Ca -0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 2wqo s ILE 74 Cb -0.15 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 2wqo s ILE 74 CO 0.02 0.53 -0.01 -0.63 0.00 0.00 0.00 174.94 174.85 2wqo s ILE 75 N 0.26 4.09 -0.75 2.92 1.09 -1.26 0.01 121.20 127.55 2wqo s ILE 75 Ca -0.15 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 2wqo s ILE 75 Cb -0.17 -2.82 0.19 0.00 -1.06 0.00 0.00 42.46 38.60 2wqo s ILE 75 CO 0.07 0.47 0.59 -0.62 -0.10 0.00 0.00 174.94 175.34 2wqo s ASP 76 N 0.56 5.39 0.64 3.58 2.15 -0.28 -4.89 116.67 123.82 2wqo s ASP 76 Ca -0.01 -3.50 0.41 0.00 0.43 0.00 0.00 52.55 49.88 2wqo s ASP 76 Cb -0.14 -1.81 2.23 0.00 -0.30 0.00 0.00 42.92 42.91 2wqo s ASP 76 CO 0.02 -0.20 2.26 -0.09 -0.17 0.00 0.00 175.17 176.98 2wqo h ARG 77 N 6.13 0.00 -0.76 4.34 2.43 -1.94 0.40 114.38 124.98 2wqo h ARG 77 Ca 0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2wqo h ARG 77 Cb 0.84 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2wqo h ARG 77 CO 0.77 0.00 0.40 1.15 -1.51 0.00 0.00 179.97 180.78 2wqo h THR 78 N 0.00 1.23 0.00 0.20 2.02 -1.95 -2.99 112.91 111.41 2wqo h THR 78 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2wqo h THR 78 Cb 0.09 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2wqo h THR 78 CO 0.00 0.26 -0.92 0.59 0.37 0.00 0.00 175.52 175.82 2wqo n ASN 79 N -4.35 0.84 -3.21 4.18 4.13 0.10 -4.95 115.26 112.01 2wqo n ASN 79 Ca 0.08 -0.85 -0.23 0.00 1.68 0.00 0.00 54.58 55.25 2wqo n ASN 79 Cb 0.11 1.06 0.02 0.00 -1.54 0.00 0.00 39.78 39.43 2wqo n ASN 79 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2wqo n THR 80 N -1.48 -1.68 -4.23 3.41 -2.24 0.86 -4.85 114.28 104.07 2wqo n THR 80 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 2wqo n THR 80 Cb 0.29 -2.86 -0.11 0.00 -2.10 0.00 0.00 70.33 65.55 2wqo n THR 80 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wqo s THR 81 N -3.10 4.29 -0.16 4.28 2.01 -1.05 -2.22 115.64 119.69 2wqo s THR 81 Ca 0.36 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 2wqo s THR 81 Cb -0.18 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2wqo s THR 81 CO 0.45 0.48 0.12 -0.22 -0.69 0.00 0.00 174.62 174.76 2wqo s LEU 82 N 0.32 4.20 -0.19 4.42 2.96 0.67 -1.12 118.68 129.93 2wqo s LEU 82 Ca -0.01 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 2wqo s LEU 82 Cb -0.13 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.51 2wqo s LEU 82 CO 0.02 0.28 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.89 2wqo s TYR 83 N -0.25 2.86 -0.34 5.38 1.51 0.10 -0.10 117.35 126.51 2wqo s TYR 83 Ca 0.10 -1.24 -0.13 0.00 -1.01 0.00 0.00 57.07 54.79 2wqo s TYR 83 Cb -0.12 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2wqo s TYR 83 CO 0.01 -0.64 0.27 0.42 -1.11 0.00 0.00 175.55 174.49 2wqo s ILE 84 N 1.30 5.26 -0.13 2.71 1.09 0.03 -0.26 121.20 131.20 2wqo s ILE 84 Ca 0.04 -0.15 -0.18 0.00 -1.10 0.00 0.00 60.65 59.26 2wqo s ILE 84 Cb -0.14 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2wqo s ILE 84 CO -0.07 -0.02 0.47 -0.69 -0.10 0.00 0.00 174.94 174.54 2wqo s VAL 85 N 1.79 5.18 0.20 2.92 1.01 -0.37 -1.19 120.40 129.94 2wqo s VAL 85 Ca 0.07 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 2wqo s VAL 85 Cb -0.17 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2wqo s VAL 85 CO 0.11 0.31 0.21 0.00 0.00 0.00 0.00 175.10 175.73 2wqo s MET 86 N 0.75 1.26 0.73 2.72 0.23 0.28 -0.25 119.30 125.02 2wqo s MET 86 Ca 0.25 -1.51 -0.15 0.00 -1.03 0.00 0.00 55.69 53.25 2wqo s MET 86 Cb -0.15 0.32 0.04 0.00 -1.53 0.00 0.00 34.83 33.51 2wqo s MET 86 CO 0.10 -0.44 1.23 -1.83 -2.03 0.00 0.00 175.02 172.05 2wqo s GLU 87 N -4.11 2.09 -0.19 3.16 -1.05 -0.62 -1.40 118.70 116.59 2wqo s GLU 87 Ca 0.33 1.85 -0.14 0.00 -0.15 0.00 0.00 54.97 56.87 2wqo s GLU 87 Cb 0.05 -1.82 -0.05 0.00 -0.44 0.00 0.00 34.13 31.88 2wqo s GLU 87 CO 0.10 -1.89 0.29 -0.47 0.95 0.00 0.00 175.26 174.24 2wqo s TYR 88 N -1.85 3.41 -0.58 4.83 5.04 -1.26 -4.37 117.35 122.56 2wqo s TYR 88 Ca 0.77 0.52 -0.09 0.00 -2.44 0.00 0.00 57.07 55.83 2wqo s TYR 88 Cb -0.32 -2.37 0.15 0.00 0.35 0.00 0.00 41.96 39.77 2wqo s TYR 88 CO 0.45 0.14 0.45 0.00 -1.34 0.00 0.00 175.55 175.25 2wqo n GLU 90 N 4.40 0.15 0.00 0.00 0.28 -1.20 -1.97 120.64 122.29 2wqo n GLU 90 Ca -0.00 0.53 0.13 0.00 -0.16 0.00 0.00 57.16 57.66 2wqo n GLU 90 Cb 0.41 -1.89 0.43 0.00 1.43 0.00 0.00 31.44 31.82 2wqo n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wqo n GLY 91 N -0.75 -1.24 5.92 -1.84 0.00 0.51 -4.97 105.19 102.81 2wqo n GLY 91 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2wqo n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wqo n GLY 92 N 1.45 -1.71 3.93 -0.02 0.00 -0.83 -4.71 105.19 103.30 2wqo n GLY 92 Ca 0.08 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 2wqo n GLY 92 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wqo s ASP 93 N -4.00 5.25 0.30 1.61 -4.77 -1.26 -1.12 116.67 112.67 2wqo s ASP 93 Ca 0.00 -0.65 0.11 0.00 -3.30 0.00 0.00 52.55 48.70 2wqo s ASP 93 Cb 0.00 -0.54 0.45 0.00 -1.09 0.00 0.00 42.92 41.74 2wqo s ASP 93 CO 0.00 -0.73 1.67 -0.07 0.70 0.00 0.00 175.17 176.74 2wqo h LEU 94 N 0.85 0.02 -0.64 2.11 3.38 -0.59 -3.05 115.31 117.40 2wqo h LEU 94 Ca -0.40 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.62 2wqo h LEU 94 Cb 1.27 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2wqo h LEU 94 CO 0.52 0.57 0.32 0.00 0.09 0.00 0.00 178.44 179.94 2wqo h ALA 95 N 1.43 0.85 -0.32 1.53 0.00 -1.80 -0.03 119.26 120.92 2wqo h ALA 95 Ca -0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2wqo h ALA 95 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2wqo h ALA 95 CO 0.07 -0.04 -0.30 0.77 0.00 0.00 0.00 179.25 179.75 2wqo h SER 96 N 0.59 0.71 -0.43 0.00 0.02 -1.88 -0.82 113.55 111.74 2wqo h SER 96 Ca 0.30 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2wqo h SER 96 Cb 0.25 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2wqo h SER 96 CO -0.22 0.97 0.28 0.58 -1.14 0.00 0.00 176.83 177.30 2wqo h VAL 97 N 0.59 1.10 -0.58 2.27 2.07 -1.23 0.27 116.25 120.73 2wqo h VAL 97 Ca 0.07 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 2wqo h VAL 97 Cb 0.81 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2wqo h VAL 97 CO 0.07 0.10 0.08 0.40 0.02 0.00 0.00 177.57 178.24 2wqo h ILE 98 N 0.57 1.25 -0.27 4.57 2.04 -0.73 -2.12 117.51 122.82 2wqo h ILE 98 Ca 0.16 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 2wqo h ILE 98 Cb -0.06 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2wqo h ILE 98 CO -0.04 0.36 -0.07 0.74 0.00 0.00 0.00 178.15 179.14 2wqo h THR 99 N 0.89 1.28 -0.81 -0.27 2.02 -0.99 -1.51 112.91 113.51 2wqo h THR 99 Ca 0.18 -1.09 0.14 0.00 0.77 0.00 0.00 66.41 66.40 2wqo h THR 99 Cb 0.42 1.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.17 2wqo h THR 99 CO 0.01 0.34 0.40 0.50 0.37 0.00 0.00 175.52 177.15 2wqo h LYS 100 N 0.28 0.58 -0.33 6.66 3.64 -0.76 -1.23 116.57 125.41 2wqo h LYS 100 Ca 0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2wqo h LYS 100 Cb 0.55 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2wqo h LYS 100 CO 0.03 0.39 -0.07 0.78 -2.27 0.00 0.00 179.45 178.30 2wqo h GLY 101 N 0.60 0.68 0.65 5.01 0.00 -1.10 -1.11 103.07 107.79 2wqo h GLY 101 Ca 0.44 -0.55 0.02 0.00 0.00 0.00 0.00 47.33 47.24 2wqo h GLY 101 CO -0.35 0.50 -0.15 -0.84 0.00 0.00 0.00 176.54 175.70 2wqo h THR 102 N 0.41 0.63 0.42 4.70 2.02 -0.95 -0.68 112.91 119.46 2wqo h THR 102 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2wqo h THR 102 Cb 0.56 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2wqo h THR 102 CO 0.03 0.00 -0.40 0.50 0.37 0.00 0.00 175.52 176.02 2wqo h LYS 103 N -0.27 -0.80 -0.42 6.66 1.63 -1.11 -2.47 116.57 119.80 2wqo h LYS 103 Ca 0.04 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2wqo h LYS 103 Cb 0.32 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2wqo h LYS 103 CO -0.13 -0.53 0.00 0.39 -3.45 0.00 0.00 179.45 175.72 2wqo n GLU 104 N -5.50 1.30 -3.78 1.90 1.02 -0.43 -4.88 120.64 110.27 2wqo n GLU 104 Ca -0.11 -0.34 -0.29 0.00 -0.02 0.00 0.00 57.16 56.41 2wqo n GLU 104 Cb 0.40 -1.27 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 2wqo n GLU 104 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wqo n ARG 105 N -0.12 -4.35 -4.36 3.49 1.74 -0.63 -4.96 116.66 107.47 2wqo n ARG 105 Ca 0.03 0.53 -0.25 0.00 -0.77 0.00 0.00 57.85 57.39 2wqo n ARG 105 Cb 0.18 -5.33 -0.17 0.00 -1.02 0.00 0.00 32.46 26.12 2wqo n ARG 105 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2wqo s GLN 106 N -6.47 1.63 0.45 5.56 2.00 -0.36 -5.04 119.66 117.44 2wqo s GLN 106 Ca 0.59 -0.36 -0.21 0.00 -2.00 0.00 0.00 55.36 53.38 2wqo s GLN 106 Cb -0.31 -1.46 -0.10 0.00 0.80 0.00 0.00 33.01 31.95 2wqo s GLN 106 CO 0.73 -0.07 1.00 0.71 -0.50 0.00 0.00 175.29 177.16 2wqo s TYR 107 N 1.00 3.18 0.34 1.67 4.12 -1.26 -4.55 117.35 121.85 2wqo s TYR 107 Ca -0.08 1.61 -0.27 0.00 0.02 0.00 0.00 57.07 58.35 2wqo s TYR 107 Cb -0.15 -2.97 -0.09 0.00 -1.52 0.00 0.00 41.96 37.23 2wqo s TYR 107 CO -0.00 -0.46 1.11 -0.51 0.02 0.00 0.00 175.55 175.70 2wqo s LEU 108 N -3.23 4.34 0.16 -1.29 1.43 -1.26 -4.99 118.68 113.85 2wqo s LEU 108 Ca 0.64 2.23 -0.34 0.00 -1.03 0.00 0.00 54.13 55.63 2wqo s LEU 108 Cb -0.14 -3.89 -0.15 0.00 0.03 0.00 0.00 46.19 42.04 2wqo s LEU 108 CO 0.18 -0.38 1.31 0.47 0.23 0.00 0.00 176.35 178.15 2wqo n ASP 109 N 0.54 1.90 -0.27 2.29 9.92 -1.26 -4.88 116.55 124.80 2wqo n ASP 109 Ca 0.02 1.13 0.07 0.00 -0.53 0.00 0.00 54.79 55.48 2wqo n ASP 109 Cb 0.46 -1.28 0.21 0.00 -0.64 0.00 0.00 41.12 39.88 2wqo n ASP 109 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2wqo h GLU 110 N 4.15 0.40 -0.90 -1.24 4.81 -1.94 -1.15 114.58 118.71 2wqo h GLU 110 Ca -0.45 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 58.90 2wqo h GLU 110 Cb 1.32 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 2wqo h GLU 110 CO 0.75 0.26 0.51 0.93 -0.73 0.00 0.00 179.01 180.74 2wqo h GLU 111 N 0.41 0.72 -0.43 1.92 4.39 -1.99 0.16 114.58 119.75 2wqo h GLU 111 Ca 0.44 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 2wqo h GLU 111 Cb 0.71 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2wqo h GLU 111 CO -0.44 0.48 0.12 0.35 -1.16 0.00 0.00 179.01 178.35 2wqo h PHE 112 N 0.74 0.72 -0.75 4.33 3.57 -1.61 -1.71 116.94 122.22 2wqo h PHE 112 Ca 0.48 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 2wqo h PHE 112 Cb 0.63 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2wqo h PHE 112 CO -0.05 0.66 0.39 0.28 -2.23 0.00 0.00 178.31 177.36 2wqo h VAL 113 N 0.56 1.23 -0.45 1.41 2.07 -0.24 -1.25 116.25 119.58 2wqo h VAL 113 Ca 0.14 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2wqo h VAL 113 Cb 0.30 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2wqo h VAL 113 CO -0.00 0.26 -0.10 -0.07 0.02 0.00 0.00 177.57 177.68 2wqo h LEU 114 N 1.05 0.79 -0.49 2.57 3.38 -0.50 -1.09 115.31 121.02 2wqo h LEU 114 Ca 0.26 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wqo h LEU 114 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2wqo h LEU 114 CO -0.04 0.92 0.32 0.03 0.09 0.00 0.00 178.44 179.76 2wqo h ARG 115 N 0.72 0.63 -0.36 1.13 3.08 -0.77 -0.40 114.38 118.41 2wqo h ARG 115 Ca 0.12 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2wqo h ARG 115 Cb 0.59 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2wqo h ARG 115 CO 0.04 0.42 0.07 0.28 -1.07 0.00 0.00 179.97 179.71 2wqo h VAL 116 N 0.65 1.23 -0.15 2.04 2.07 -0.95 -1.47 116.25 119.68 2wqo h VAL 116 Ca 0.18 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.91 2wqo h VAL 116 Cb -0.06 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2wqo h VAL 116 CO -0.05 0.27 0.06 -0.03 0.02 0.00 0.00 177.57 177.84 2wqo h MET 117 N 0.44 0.13 0.14 1.57 1.85 -1.06 0.18 114.93 118.17 2wqo h MET 117 Ca 0.11 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 2wqo h MET 117 Cb 0.33 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.33 2wqo h MET 117 CO 0.00 0.08 -0.07 1.15 -0.40 0.00 0.00 176.91 177.68 2wqo h THR 118 N 0.13 0.97 -0.11 -0.77 2.02 -1.03 -1.74 112.91 112.39 2wqo h THR 118 Ca 0.06 -0.43 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 2wqo h THR 118 Cb 0.03 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2wqo h THR 118 CO -0.06 0.10 -0.64 1.56 0.37 0.00 0.00 175.52 176.85 2wqo h GLN 119 N -0.38 0.41 -0.05 6.66 4.20 -1.18 -2.01 115.11 122.76 2wqo h GLN 119 Ca -0.02 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.26 2wqo h GLN 119 Cb 0.31 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2wqo h GLN 119 CO 0.03 0.92 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.49 2wqo h LEU 120 N 0.30 0.18 -0.39 1.46 3.38 -0.69 -1.24 115.31 118.30 2wqo h LEU 120 Ca -0.01 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 2wqo h LEU 120 Cb 1.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2wqo h LEU 120 CO 0.11 0.69 -0.32 0.74 0.09 0.00 0.00 178.44 179.75 2wqo h THR 121 N 0.12 1.27 -0.49 0.22 2.02 -1.04 -1.34 112.91 113.67 2wqo h THR 121 Ca -0.00 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 65.61 2wqo h THR 121 Cb 1.01 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2wqo h THR 121 CO 0.08 0.50 0.01 -0.07 0.37 0.00 0.00 175.52 176.42 2wqo h LEU 122 N 0.73 0.77 -0.40 2.58 3.38 -1.24 -0.20 115.31 120.93 2wqo h LEU 122 Ca 0.07 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2wqo h LEU 122 Cb 0.91 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2wqo h LEU 122 CO 0.08 0.83 0.22 0.00 0.09 0.00 0.00 178.44 179.66 2wqo h ALA 123 N 1.26 0.50 -0.57 1.53 0.00 -0.98 -1.84 119.26 119.16 2wqo h ALA 123 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2wqo h ALA 123 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wqo h ALA 123 CO 0.02 -0.13 0.17 -0.07 0.00 0.00 0.00 179.25 179.24 2wqo h LEU 124 N 0.44 0.84 -0.81 0.00 3.38 -0.93 -1.75 115.31 116.49 2wqo h LEU 124 Ca 0.17 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2wqo h LEU 124 Cb 0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 2wqo h LEU 124 CO -0.10 0.83 0.46 0.50 0.09 0.00 0.00 178.44 180.22 2wqo h LYS 125 N 0.81 0.76 -0.58 1.13 3.64 -0.85 0.42 116.57 121.89 2wqo h LYS 125 Ca 0.18 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2wqo h LYS 125 Cb 0.30 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2wqo h LYS 125 CO -0.00 0.50 0.03 1.49 -2.27 0.00 0.00 179.45 179.19 2wqo h GLU 126 N 0.78 1.01 -0.70 1.90 4.57 -0.91 -1.65 114.58 119.58 2wqo h GLU 126 Ca 0.39 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 2wqo h GLU 126 Cb 0.35 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2wqo h GLU 126 CO -0.24 0.99 0.20 0.00 -1.18 0.00 0.00 179.01 178.78 2wqo h HIS 128 N 1.04 1.05 -0.75 0.00 3.86 -0.81 -2.95 115.15 116.59 2wqo h HIS 128 Ca 0.22 -0.18 0.11 0.00 -1.16 0.00 0.00 60.37 59.36 2wqo h HIS 128 Cb 0.33 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 2wqo h HIS 128 CO 0.03 0.96 0.49 -0.09 0.86 0.00 0.00 177.93 180.18 2wqo h ARG 129 N 0.88 0.59 0.00 2.45 2.43 -1.13 -3.51 114.38 116.09 2wqo h ARG 129 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2wqo h ARG 129 Cb 0.56 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wqo h ARG 129 CO 0.03 0.39 0.00 0.54 -1.51 0.00 0.00 179.97 179.42 2wqo n ARG 130 N -4.50 0.00 0.00 0.20 5.12 -1.12 -5.11 116.66 111.25 2wqo n ARG 130 Ca 0.13 0.45 0.00 0.00 -1.93 0.00 0.00 57.85 56.50 2wqo n ARG 130 Cb 0.37 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 2wqo n ARG 130 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wqo n LEU 142 N -1.86 0.00 -3.83 0.55 7.94 -1.26 -5.03 117.00 113.51 2wqo n LEU 142 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2wqo n LEU 142 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 2wqo n LEU 142 CO 0.00 0.00 0.05 -1.59 -1.11 0.00 0.00 177.39 174.74 2wqo s LYS 143 N 0.00 1.11 0.39 1.96 -2.85 -1.26 -4.87 119.74 114.22 2wqo s LYS 143 Ca 0.00 -0.98 0.07 0.00 -1.00 0.00 0.00 55.97 54.06 2wqo s LYS 143 Cb 0.00 0.41 0.82 0.00 -2.06 0.00 0.00 37.83 37.00 2wqo s LYS 143 CO 0.00 -0.41 2.01 -1.35 0.10 0.00 0.00 175.35 175.70 2wqo h PRO 144 N 2.50 0.62 0.00 1.78 0.11 -1.94 -0.31 132.00 134.76 2wqo h PRO 144 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2wqo h PRO 144 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wqo h PRO 144 CO 0.48 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 2wqo n ALA 145 N -2.47 1.66 -0.53 -0.75 0.00 -1.26 -1.88 120.51 115.27 2wqo n ALA 145 Ca 0.07 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2wqo n ALA 145 Cb 0.15 -1.23 0.24 0.00 0.00 0.00 0.00 19.45 18.61 2wqo n ALA 145 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wqo n ASN 146 N -1.51 3.69 -4.11 0.00 5.03 -0.13 -4.90 115.26 113.33 2wqo n ASN 146 Ca 0.03 -2.41 -0.30 0.00 0.87 0.00 0.00 54.58 52.78 2wqo n ASN 146 Cb 0.17 -0.42 -0.17 0.00 -1.02 0.00 0.00 39.78 38.35 2wqo n ASN 146 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wqo s VAL 147 N -1.74 1.69 0.13 2.41 1.01 -0.79 -1.88 120.40 121.22 2wqo s VAL 147 Ca 0.36 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.67 2wqo s VAL 147 Cb 0.24 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2wqo s VAL 147 CO 0.16 0.48 -0.24 -0.36 0.00 0.00 0.00 175.10 175.15 2wqo s PHE 148 N 0.80 2.07 -0.12 5.22 0.40 0.53 -0.76 117.98 126.11 2wqo s PHE 148 Ca -0.10 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2wqo s PHE 148 Cb -0.16 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 2wqo s PHE 148 CO 0.01 0.30 -0.09 -0.51 0.70 0.00 0.00 175.22 175.63 2wqo s LEU 149 N -2.11 2.95 0.00 -0.37 1.43 -0.28 0.48 118.68 120.78 2wqo s LEU 149 Ca 0.12 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2wqo s LEU 149 Cb -0.09 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2wqo s LEU 149 CO 0.06 0.21 0.00 -0.90 0.23 0.00 0.00 176.35 175.95 2wqo n ASP 150 N 3.25 0.00 -0.11 2.29 5.75 -0.73 -0.36 116.55 126.63 2wqo n ASP 150 Ca -0.18 -0.43 0.14 0.00 -0.01 0.00 0.00 54.79 54.32 2wqo n ASP 150 Cb 0.53 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.26 2wqo n ASP 150 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wqo n GLY 151 N 5.00 -0.95 0.95 6.12 0.00 -1.26 -4.03 105.19 111.02 2wqo n GLY 151 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2wqo n GLY 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wqo n LYS 152 N -0.95 1.05 -1.27 1.61 5.02 -1.26 -4.96 118.16 117.40 2wqo n LYS 152 Ca 0.15 -2.86 -0.09 0.00 -2.02 0.00 0.00 58.31 53.49 2wqo n LYS 152 Cb 0.26 -1.06 -0.04 0.00 -0.02 0.00 0.00 35.03 34.18 2wqo n LYS 152 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wqo n GLN 153 N -0.54 -0.69 -3.42 1.97 6.02 -1.26 -4.74 117.38 114.72 2wqo n GLN 153 Ca 0.15 0.81 -0.32 0.00 -0.01 0.00 0.00 57.00 57.63 2wqo n GLN 153 Cb 0.86 -4.72 -0.05 0.00 1.02 0.00 0.00 30.24 27.35 2wqo n GLN 153 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2wqo s ASN 154 N -2.85 6.60 -0.08 1.08 0.01 -1.26 -4.94 114.94 113.50 2wqo s ASN 154 Ca 0.00 0.89 0.02 0.00 -0.71 0.00 0.00 52.86 53.06 2wqo s ASN 154 Cb 0.00 -2.21 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 2wqo s ASN 154 CO 0.00 -0.08 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.68 2wqo s VAL 155 N -1.83 3.01 -0.04 1.60 1.01 -1.26 -1.78 120.40 121.12 2wqo s VAL 155 Ca 0.47 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2wqo s VAL 155 Cb -0.11 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2wqo s VAL 155 CO 0.22 0.56 -0.06 -0.54 0.00 0.00 0.00 175.10 175.28 2wqo s LYS 156 N -0.28 0.88 0.01 2.72 1.02 0.18 -4.50 119.74 119.77 2wqo s LYS 156 Ca 0.02 -0.18 -0.27 0.00 0.02 0.00 0.00 55.97 55.56 2wqo s LYS 156 Cb -0.13 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.29 2wqo s LYS 156 CO 0.03 -0.01 0.84 -1.17 -0.92 0.00 0.00 175.35 174.12 2wqo s LEU 157 N 0.61 4.40 0.00 3.17 2.96 0.41 -0.35 118.68 129.89 2wqo s LEU 157 Ca -0.09 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2wqo s LEU 157 Cb -0.12 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2wqo s LEU 157 CO 0.01 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 2wqo n GLY 158 N 2.71 4.31 1.75 7.98 0.00 -0.79 -0.52 105.19 120.64 2wqo n GLY 158 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2wqo n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wqo n ASP 159 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.94 116.55 113.99 2wqo n ASP 159 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2wqo n ASP 159 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2wqo n ASP 159 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wqo n GLY 178 N 0.00 2.24 3.70 0.27 0.00 -1.26 -5.16 105.19 104.98 2wqo n GLY 178 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2wqo n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wqo s THR 179 N -0.78 3.84 -1.44 2.61 2.01 -1.26 -4.93 115.64 115.68 2wqo s THR 179 Ca 0.00 1.27 -0.12 0.00 0.31 0.00 0.00 61.69 63.15 2wqo s THR 179 Cb 0.00 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.75 2wqo s THR 179 CO 0.00 0.05 2.25 -0.81 -0.69 0.00 0.00 174.62 175.42 2wqo n PRO 180 N 4.60 3.13 -0.19 4.92 -0.04 -1.26 -4.80 135.00 141.37 2wqo n PRO 180 Ca 0.11 -2.75 0.25 0.00 -0.04 0.00 0.00 63.50 61.07 2wqo n PRO 180 Cb 0.45 -3.15 0.65 0.00 -0.04 0.00 0.00 33.50 31.41 2wqo n PRO 180 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wqo h TYR 181 N 5.81 0.18 -0.47 0.54 -1.99 -1.91 -1.74 116.97 117.38 2wqo h TYR 181 Ca 0.57 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.31 2wqo h TYR 181 Cb 0.59 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2wqo h TYR 181 CO 1.47 0.04 0.00 0.66 -0.00 0.00 0.00 178.16 180.33 2wqo n TYR 182 N -4.36 0.61 -1.87 4.88 4.02 -1.26 -4.81 117.16 114.37 2wqo n TYR 182 Ca 0.18 -0.31 -0.42 0.00 -0.01 0.00 0.00 57.90 57.34 2wqo n TYR 182 Cb 0.86 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.15 2wqo n TYR 182 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2wqo s MET 183 N -1.38 4.18 0.48 -0.72 1.75 -0.66 -4.39 119.30 118.58 2wqo s MET 183 Ca 0.41 2.41 -0.20 0.00 -1.25 0.00 0.00 55.69 57.07 2wqo s MET 183 Cb 0.24 -3.49 -0.09 0.00 2.84 0.00 0.00 34.83 34.32 2wqo s MET 183 CO 0.32 -0.74 1.01 -1.54 -0.65 0.00 0.00 175.02 173.43 2wqo s SER 184 N 2.20 6.48 0.20 1.11 1.04 -1.26 -4.91 113.70 118.56 2wqo s SER 184 Ca 0.75 1.82 -0.16 0.00 0.48 0.00 0.00 55.95 58.84 2wqo s SER 184 Cb -0.42 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.34 2wqo s SER 184 CO 0.33 -0.68 1.61 -0.65 0.98 0.00 0.00 173.24 174.83 2wqo h PRO 185 N 1.51 -0.07 -0.66 4.02 0.11 -1.89 -0.88 132.00 134.15 2wqo h PRO 185 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2wqo h PRO 185 Cb 1.21 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2wqo h PRO 185 CO 0.60 -0.04 0.11 1.05 -0.21 0.00 0.00 178.00 179.50 2wqo h GLU 186 N -0.07 1.09 0.00 1.05 9.09 -1.93 -1.40 114.58 122.41 2wqo h GLU 186 Ca 0.27 -0.29 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2wqo h GLU 186 Cb 0.49 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 2wqo h GLU 186 CO -0.64 1.00 0.00 1.04 0.05 0.00 0.00 179.01 180.46 2wqo n GLN 187 N -4.24 0.85 0.01 1.06 1.13 -0.87 -1.58 117.38 113.75 2wqo n GLN 187 Ca 0.04 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.22 2wqo n GLN 187 Cb 0.29 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.26 2wqo n GLN 187 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2wqo n MET 188 N -1.07 0.08 0.00 -1.09 1.56 -0.39 -4.57 117.12 111.64 2wqo n MET 188 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.65 2wqo n MET 188 Cb 0.14 -1.53 0.00 0.00 2.15 0.00 0.00 33.22 33.98 2wqo n MET 188 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2wqo n ASN 189 N -1.64 0.00 0.00 6.12 3.02 -0.61 -5.08 115.26 117.07 2wqo n ASN 189 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2wqo n ASN 189 Cb 0.36 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2wqo n ASN 189 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wqo n ARG 190 N -1.92 0.00 0.00 3.52 5.12 -0.80 -5.13 116.66 117.45 2wqo n ARG 190 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wqo n ARG 190 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wqo n ARG 190 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2wqo n ASN 194 N -0.87 0.00 0.28 0.55 2.85 -1.26 -4.44 115.26 112.37 2wqo n ASN 194 Ca 0.00 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.63 2wqo n ASN 194 Cb 0.00 0.00 0.82 0.00 1.24 0.00 0.00 39.78 41.84 2wqo n ASN 194 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2wqo h GLU 195 N 0.00 0.00 0.00 1.20 5.08 -2.02 -1.90 114.58 116.94 2wqo h GLU 195 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqo h GLU 195 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wqo h GLU 195 CO 0.00 0.07 0.00 0.87 -1.00 0.00 0.00 179.01 178.95 2wqo h LYS 196 N 0.00 0.00 -0.15 2.33 1.79 -1.96 -2.94 116.57 115.65 2wqo h LYS 196 Ca -0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2wqo h LYS 196 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2wqo h LYS 196 CO 0.01 0.00 -0.53 0.77 -1.08 0.00 0.00 179.45 178.62 2wqo h SER 197 N 0.00 0.47 -0.76 0.86 0.02 -1.73 -2.63 113.55 109.78 2wqo h SER 197 Ca 0.00 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2wqo h SER 197 Cb 0.61 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2wqo h SER 197 CO 0.00 0.91 0.30 0.44 -1.14 0.00 0.00 176.83 177.34 2wqo h ASP 198 N 0.33 1.06 -0.57 3.07 3.32 -1.61 -1.52 116.42 120.50 2wqo h ASP 198 Ca 0.01 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.92 2wqo h ASP 198 Cb 1.04 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 2wqo h ASP 198 CO 0.09 0.95 0.33 0.40 -1.72 0.00 0.00 179.24 179.29 2wqo h ILE 199 N 1.10 1.02 -0.08 0.35 1.08 -1.47 0.93 117.51 120.44 2wqo h ILE 199 Ca 0.25 -0.22 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 2wqo h ILE 199 Cb 0.23 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 2wqo h ILE 199 CO -0.02 0.12 -0.09 -0.25 -0.69 0.00 0.00 178.15 177.22 2wqo h TRP 200 N 0.64 -0.22 -0.62 1.37 2.91 -1.14 0.13 115.95 119.02 2wqo h TRP 200 Ca 0.24 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.26 2wqo h TRP 200 Cb 0.08 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.81 2wqo h TRP 200 CO -0.07 -0.14 0.35 0.77 -1.03 0.00 0.00 178.44 178.32 2wqo h SER 201 N -0.11 0.76 -0.62 2.65 0.02 -0.78 -0.30 113.55 115.16 2wqo h SER 201 Ca 0.06 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2wqo h SER 201 Cb 0.20 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2wqo h SER 201 CO -0.15 0.60 0.18 0.25 -1.14 0.00 0.00 176.83 176.57 2wqo h LEU 202 N 0.86 0.91 -0.74 5.07 5.85 -0.41 -1.85 115.31 125.01 2wqo h LEU 202 Ca 0.22 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2wqo h LEU 202 Cb 0.01 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 2wqo h LEU 202 CO -0.04 0.89 0.43 1.23 -0.34 0.00 0.00 178.44 180.61 2wqo h GLY 203 N 0.89 1.10 1.16 3.75 0.00 0.85 0.12 103.07 110.95 2wqo h GLY 203 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2wqo h GLY 203 CO -0.00 0.19 0.08 0.00 0.00 0.00 0.00 176.54 176.80 2wqo h LEU 205 N 0.96 0.13 -1.25 0.00 6.46 -0.94 -0.90 115.31 119.77 2wqo h LEU 205 Ca 0.19 -0.31 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 2wqo h LEU 205 Cb 0.44 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2wqo h LEU 205 CO 0.01 0.41 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.15 2wqo h LEU 206 N -0.15 0.45 -0.28 2.25 3.38 -0.86 -0.81 115.31 119.30 2wqo h LEU 206 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2wqo h LEU 206 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2wqo h LEU 206 CO 0.00 0.54 0.12 0.22 0.09 0.00 0.00 178.44 179.42 2wqo h TYR 207 N 0.46 0.41 0.00 1.13 5.03 -0.67 -2.07 116.97 121.27 2wqo h TYR 207 Ca 0.10 -0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.29 2wqo h TYR 207 Cb 0.34 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 2wqo h TYR 207 CO 0.01 0.40 -0.46 1.49 -1.32 0.00 0.00 178.16 178.28 2wqo h GLU 208 N 0.31 0.00 -0.77 1.82 4.81 -0.71 0.17 114.58 120.20 2wqo h GLU 208 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2wqo h GLU 208 Cb 0.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2wqo h GLU 208 CO -0.01 0.46 0.47 -0.07 -0.73 0.00 0.00 179.01 179.12 2wqo h LEU 209 N 0.00 0.92 0.04 1.64 3.38 -0.86 0.19 115.31 120.63 2wqo h LEU 209 Ca -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wqo h LEU 209 Cb 0.84 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wqo h LEU 209 CO 0.06 0.71 -0.02 0.00 0.09 0.00 0.00 178.44 179.28 2wqo n ALA 211 N -2.58 3.21 -1.51 0.00 0.00 0.48 -4.70 120.51 115.40 2wqo n ALA 211 Ca -0.08 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 2wqo n ALA 211 Cb 0.33 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 2wqo n ALA 211 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wqo n LEU 212 N -1.57 -1.14 -3.54 0.00 4.77 0.66 -4.96 117.00 111.22 2wqo n LEU 212 Ca 0.06 0.33 -0.15 0.00 -0.03 0.00 0.00 56.01 56.22 2wqo n LEU 212 Cb 0.35 -2.18 -0.05 0.00 -2.33 0.00 0.00 43.42 39.21 2wqo n LEU 212 CO 0.33 -0.71 0.34 0.00 -1.33 0.00 0.00 177.39 176.02 2wqo s MET 213 N -3.40 1.07 0.66 3.23 0.23 -1.22 -4.96 119.30 114.92 2wqo s MET 213 Ca 0.00 -0.12 -0.15 0.00 -1.03 0.00 0.00 55.69 54.38 2wqo s MET 213 Cb 0.00 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 2wqo s MET 213 CO 0.00 -0.39 1.13 -2.14 -2.03 0.00 0.00 175.02 171.60 2wqo s PRO 214 N -2.26 2.70 0.28 3.16 0.02 -1.26 -3.75 135.00 133.89 2wqo s PRO 214 Ca -0.06 1.49 0.04 0.00 0.02 0.00 0.00 61.00 62.49 2wqo s PRO 214 Cb -0.01 -1.93 0.41 0.00 0.02 0.00 0.00 34.50 33.00 2wqo s PRO 214 CO 0.00 -1.34 1.70 -1.00 -0.33 0.00 0.00 177.00 176.02 2wqo h PRO 215 N 0.06 0.36 -5.03 5.54 0.13 -1.92 -3.40 132.00 127.74 2wqo h PRO 215 Ca -0.47 -0.16 -0.66 0.00 -0.87 0.00 0.00 66.00 63.84 2wqo h PRO 215 Cb 1.26 -0.01 -0.35 0.00 0.13 0.00 0.00 31.00 32.03 2wqo h PRO 215 CO 0.53 0.67 -0.86 -0.06 -0.23 0.00 0.00 178.00 178.06 2wqo s PHE 216 N -4.28 2.72 0.13 1.56 0.08 -1.26 -4.67 117.98 112.26 2wqo s PHE 216 Ca -0.06 -1.60 0.07 0.00 0.12 0.00 0.00 56.93 55.47 2wqo s PHE 216 Cb 0.13 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2wqo s PHE 216 CO 0.78 -0.79 -0.17 0.95 -0.10 0.00 0.00 175.22 175.89 2wqo s THR 217 N 1.29 1.57 0.10 0.64 -4.23 -1.26 -4.93 115.64 108.82 2wqo s THR 217 Ca 0.05 -1.70 -0.25 0.00 -1.18 0.00 0.00 61.69 58.60 2wqo s THR 217 Cb -0.13 -1.59 0.08 0.00 1.34 0.00 0.00 72.50 72.19 2wqo s THR 217 CO -0.12 -0.27 0.79 0.00 -0.54 0.00 0.00 174.62 174.47 2wqo s ALA 218 N -1.77 -1.66 -0.25 3.99 0.00 -1.26 -4.80 121.76 116.00 2wqo s ALA 218 Ca 0.09 0.56 0.21 0.00 0.00 0.00 0.00 51.96 52.83 2wqo s ALA 218 Cb -0.07 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.75 2wqo s ALA 218 CO 0.04 -0.81 1.14 0.74 0.00 0.00 0.00 175.76 176.87 2wqo h PHE 219 N 2.00 0.00 -3.38 0.00 -1.00 -2.01 -3.47 116.94 109.08 2wqo h PHE 219 Ca -0.26 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.11 2wqo h PHE 219 Cb 1.26 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 40.66 2wqo h PHE 219 CO 0.29 0.11 -0.74 -1.54 -1.61 0.00 0.00 178.31 174.81 2wqo s SER 220 N -5.63 2.10 0.34 2.17 1.04 -1.26 -5.04 113.70 107.42 2wqo s SER 220 Ca 0.01 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.55 2wqo s SER 220 Cb 0.08 -0.07 0.60 0.00 0.10 0.00 0.00 66.02 66.73 2wqo s SER 220 CO 0.77 -0.19 2.00 -0.61 0.98 0.00 0.00 173.24 176.19 2wqo h GLN 221 N 3.15 0.89 -0.19 4.02 5.75 -1.99 -0.32 115.11 126.42 2wqo h GLN 221 Ca -0.39 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 57.89 2wqo h GLN 221 Cb 1.20 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 2wqo h GLN 221 CO 0.56 0.59 -0.59 -0.22 -2.65 0.00 0.00 178.83 176.52 2wqo h LYS 222 N 0.91 0.61 -0.42 1.69 3.64 -1.99 0.03 116.57 121.04 2wqo h LYS 222 Ca 0.25 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2wqo h LYS 222 Cb -0.09 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2wqo h LYS 222 CO -0.06 1.02 0.12 1.49 -2.27 0.00 0.00 179.45 179.75 2wqo h GLU 223 N 0.46 0.67 -0.01 1.90 4.81 -1.89 -1.97 114.58 118.55 2wqo h GLU 223 Ca 0.00 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2wqo h GLU 223 Cb 1.15 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2wqo h GLU 223 CO 0.11 0.67 -0.31 1.25 -0.73 0.00 0.00 179.01 180.00 2wqo h LEU 224 N 0.55 -0.94 -1.03 1.64 5.85 -0.67 -1.14 115.31 119.56 2wqo h LEU 224 Ca 0.13 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.06 2wqo h LEU 224 Cb 0.29 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 2wqo h LEU 224 CO -0.00 -0.38 0.64 0.00 -0.34 0.00 0.00 178.44 178.36 2wqo h ALA 225 N 0.29 1.45 -0.02 1.25 0.00 -0.90 -0.35 119.26 120.99 2wqo h ALA 225 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wqo h ALA 225 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wqo h ALA 225 CO -0.27 0.37 -0.09 0.78 0.00 0.00 0.00 179.25 180.04 2wqo h GLY 226 N 1.11 -0.09 0.98 0.00 0.00 -0.75 -1.71 103.07 102.61 2wqo h GLY 226 Ca 0.45 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.89 2wqo h GLY 226 CO -0.19 -0.10 0.35 0.50 0.00 0.00 0.00 176.54 177.10 2wqo h LYS 227 N -0.15 0.70 -0.82 4.80 1.57 -0.05 -2.52 116.57 120.09 2wqo h LYS 227 Ca 0.04 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2wqo h LYS 227 Cb 0.20 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2wqo h LYS 227 CO -0.11 0.46 0.54 0.82 -0.57 0.00 0.00 179.45 180.60 2wqo h ILE 228 N 0.72 1.18 -0.23 1.86 2.04 -0.96 -2.18 117.51 119.93 2wqo h ILE 228 Ca 0.20 -0.37 -0.14 0.00 1.00 0.00 0.00 64.86 65.55 2wqo h ILE 228 Cb -0.07 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 2wqo h ILE 228 CO -0.05 0.20 -0.45 0.03 0.00 0.00 0.00 178.15 177.87 2wqo h ARG 229 N 1.07 0.59 0.00 2.37 3.08 -0.89 -2.74 114.38 117.86 2wqo h ARG 229 Ca 0.31 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2wqo h ARG 229 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2wqo h ARG 229 CO -0.08 0.92 -0.49 0.93 -1.07 0.00 0.00 179.97 180.18 2wqo h GLU 230 N 0.47 0.00 -1.52 0.04 5.08 -1.33 -3.48 114.58 113.85 2wqo h GLU 230 Ca 0.03 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 2wqo h GLU 230 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2wqo h GLU 230 CO 0.09 0.49 -0.28 0.41 -1.00 0.00 0.00 179.01 178.73 2wqo n GLY 231 N 0.32 -0.05 3.69 -3.84 0.00 -0.84 -5.01 105.19 99.48 2wqo n GLY 231 Ca -0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2wqo n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wqo s LYS 232 N -4.50 2.81 0.20 1.61 1.02 -1.26 -4.94 119.74 114.68 2wqo s LYS 232 Ca 0.00 -0.60 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 2wqo s LYS 232 Cb 0.00 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2wqo s LYS 232 CO 0.00 0.63 0.70 -0.59 -0.92 0.00 0.00 175.35 175.17 2wqo s PHE 233 N -1.09 -0.35 0.53 3.18 -0.12 -1.26 -4.88 117.98 113.99 2wqo s PHE 233 Ca 0.20 0.03 -0.18 0.00 -0.05 0.00 0.00 56.93 56.92 2wqo s PHE 233 Cb -0.12 0.63 -0.07 0.00 -0.63 0.00 0.00 43.02 42.84 2wqo s PHE 233 CO 0.10 -0.99 1.04 1.03 -0.05 0.00 0.00 175.22 176.36 2wqo s ARG 234 N -3.74 3.62 0.47 1.99 0.52 -1.26 -5.02 118.95 115.54 2wqo s ARG 234 Ca 0.06 1.27 -0.24 0.00 -0.52 0.00 0.00 55.73 56.31 2wqo s ARG 234 Cb -0.03 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 33.30 2wqo s ARG 234 CO -0.03 -0.57 1.35 0.50 0.02 0.00 0.00 175.30 176.57 2wqo s ARG 235 N -3.61 3.57 0.96 3.54 3.52 -1.26 -4.98 118.95 120.68 2wqo s ARG 235 Ca 0.65 2.23 -0.11 0.00 -0.13 0.00 0.00 55.73 58.37 2wqo s ARG 235 Cb -0.16 -2.52 0.13 0.00 -1.56 0.00 0.00 34.95 30.84 2wqo s ARG 235 CO 0.27 -0.85 0.87 0.44 -0.81 0.00 0.00 175.30 175.23 2wqo n ILE 236 N -0.44 0.00 -1.53 4.11 -5.35 -1.26 -4.89 119.36 110.00 2wqo n ILE 236 Ca 0.07 -0.11 -0.37 0.00 -0.27 0.00 0.00 62.75 62.07 2wqo n ILE 236 Cb 0.44 -0.87 0.05 0.00 -1.74 0.00 0.00 39.64 37.52 2wqo n ILE 236 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2wqo n PRO 237 N -3.47 0.69 0.12 6.28 -0.02 -1.26 -4.86 135.00 132.47 2wqo n PRO 237 Ca 0.09 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 2wqo n PRO 237 Cb 0.53 -2.01 0.48 0.00 -0.02 0.00 0.00 33.50 32.48 2wqo n PRO 237 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wqo n TYR 238 N -1.87 0.73 0.31 6.00 4.02 -1.26 -1.35 117.16 123.74 2wqo n TYR 238 Ca 0.13 0.30 0.20 0.00 -0.01 0.00 0.00 57.90 58.52 2wqo n TYR 238 Cb 0.48 -0.98 0.97 0.00 -0.02 0.00 0.00 39.34 39.79 2wqo n TYR 238 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 2wqo h ARG 239 N 0.00 0.00 -6.16 -0.72 0.11 -2.02 -3.42 114.38 102.16 2wqo h ARG 239 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 2wqo h ARG 239 Cb 0.30 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.34 2wqo h ARG 239 CO 0.00 0.00 -0.04 0.71 0.10 0.00 0.00 179.97 180.74 2wqo s TYR 240 N -3.92 3.76 0.68 4.08 1.51 -0.46 -4.97 117.35 118.02 2wqo s TYR 240 Ca -0.02 1.23 -0.16 0.00 -1.01 0.00 0.00 57.07 57.11 2wqo s TYR 240 Cb 0.11 -2.53 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 2wqo s TYR 240 CO 0.47 0.50 1.20 -1.54 -1.11 0.00 0.00 175.55 175.07 2wqo s SER 241 N -0.75 4.61 0.37 2.29 1.04 -1.26 -4.81 113.70 115.19 2wqo s SER 241 Ca 0.29 2.35 0.09 0.00 0.48 0.00 0.00 55.95 59.16 2wqo s SER 241 Cb -0.19 -2.59 0.83 0.00 0.10 0.00 0.00 66.02 64.17 2wqo s SER 241 CO 0.18 -1.98 1.92 0.44 0.98 0.00 0.00 173.24 174.78 2wqo h ASP 242 N 0.15 0.60 -0.65 7.02 3.32 -1.97 -1.36 116.42 123.53 2wqo h ASP 242 Ca -0.49 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 2wqo h ASP 242 Cb 1.29 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2wqo h ASP 242 CO 0.52 0.35 0.23 -0.33 -1.72 0.00 0.00 179.24 178.29 2wqo h GLU 243 N 0.66 1.00 -0.19 3.56 3.07 -1.99 0.29 114.58 120.98 2wqo h GLU 243 Ca 0.36 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 2wqo h GLU 243 Cb 0.51 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2wqo h GLU 243 CO -0.14 0.85 -0.01 1.25 -1.40 0.00 0.00 179.01 179.57 2wqo h LEU 244 N 0.93 0.33 -0.80 1.33 5.85 -1.82 -2.65 115.31 118.49 2wqo h LEU 244 Ca 0.21 -0.32 0.12 0.00 0.84 0.00 0.00 57.88 58.74 2wqo h LEU 244 Cb 0.25 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2wqo h LEU 244 CO -0.01 0.57 0.40 -1.13 -0.34 0.00 0.00 178.44 177.92 2wqo h ASN 245 N 0.09 0.49 -0.64 1.25 -1.24 -0.96 -2.48 115.58 112.10 2wqo h ASN 245 Ca 0.05 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 2wqo h ASN 245 Cb 0.40 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 2wqo h ASN 245 CO 0.01 0.24 0.18 -0.08 -1.29 0.00 0.00 177.43 176.48 2wqo h GLU 246 N 0.61 1.03 0.07 6.67 4.57 -0.14 -0.48 114.58 126.92 2wqo h GLU 246 Ca 0.42 -0.23 -0.27 0.00 -1.18 0.00 0.00 59.36 58.10 2wqo h GLU 246 Cb 0.53 -0.15 0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2wqo h GLU 246 CO -0.33 0.90 -1.13 0.97 -1.18 0.00 0.00 179.01 178.24 2wqo h ILE 247 N 0.99 1.34 -0.82 2.32 2.10 -1.13 -1.07 117.51 121.23 2wqo h ILE 247 Ca 0.21 -2.48 0.00 0.00 1.08 0.00 0.00 64.86 63.67 2wqo h ILE 247 Cb 0.33 2.59 -0.04 0.00 -1.09 0.00 0.00 36.82 38.61 2wqo h ILE 247 CO -0.00 0.75 0.52 0.40 -1.08 0.00 0.00 178.15 178.74 2wqo h ILE 248 N 0.27 1.22 -0.55 2.19 2.04 -1.40 -1.43 117.51 119.85 2wqo h ILE 248 Ca -0.14 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2wqo h ILE 248 Cb 1.80 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2wqo h ILE 248 CO 0.21 0.22 0.21 0.74 0.00 0.00 0.00 178.15 179.52 2wqo h THR 249 N 1.11 1.22 -0.97 -0.27 2.02 -0.98 -2.47 112.91 112.58 2wqo h THR 249 Ca 0.30 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.83 2wqo h THR 249 Cb -0.09 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 2wqo h THR 249 CO -0.06 0.27 0.63 0.03 0.37 0.00 0.00 175.52 176.76 2wqo h ARG 250 N 0.75 1.09 0.00 6.66 3.08 -0.87 -1.38 114.38 123.71 2wqo h ARG 250 Ca 0.18 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2wqo h ARG 250 Cb 0.22 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2wqo h ARG 250 CO -0.01 0.72 -0.08 0.52 -1.07 0.00 0.00 179.97 180.05 2wqo h MET 251 N 1.12 0.00 -0.68 0.04 2.86 -0.82 -2.36 114.93 115.10 2wqo h MET 251 Ca 0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 2wqo h MET 251 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2wqo h MET 251 CO -0.17 0.08 0.00 1.28 1.06 0.00 0.00 176.91 179.16 2wqo n LEU 252 N -3.39 4.57 -4.77 1.22 4.77 -0.54 -3.66 117.00 115.21 2wqo n LEU 252 Ca -0.01 -2.30 -0.40 0.00 -0.03 0.00 0.00 56.01 53.26 2wqo n LEU 252 Cb 0.24 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2wqo n LEU 252 CO 0.28 0.84 1.10 0.21 -1.33 0.00 0.00 177.39 178.48 2wqo s ASN 253 N -0.91 5.94 0.35 -1.43 3.84 -0.89 -4.91 114.94 116.94 2wqo s ASN 253 Ca 0.50 2.99 0.06 0.00 0.21 0.00 0.00 52.86 56.62 2wqo s ASN 253 Cb 0.31 -2.66 0.66 0.00 -0.55 0.00 0.00 41.25 39.02 2wqo s ASN 253 CO 0.26 -1.14 1.90 -0.07 -2.79 0.00 0.00 177.10 175.27 2wqo h LEU 254 N 2.45 0.44 -9.00 3.21 3.38 -1.92 -3.41 115.31 110.46 2wqo h LEU 254 Ca -0.51 -0.08 -0.61 0.00 0.09 0.00 0.00 57.88 56.77 2wqo h LEU 254 Cb 1.26 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 2wqo h LEU 254 CO 0.62 0.50 -0.04 -0.54 0.09 0.00 0.00 178.44 179.08 2wqo s LYS 255 N -4.98 4.09 0.36 1.13 -0.14 -1.26 -4.81 119.74 114.13 2wqo s LYS 255 Ca -0.07 0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.90 2wqo s LYS 255 Cb 0.16 -3.63 0.70 0.00 -1.68 0.00 0.00 37.83 33.37 2wqo s LYS 255 CO 0.76 -0.30 1.98 0.38 -0.76 0.00 0.00 175.35 177.41 2wqo h ASP 256 N 7.90 0.69 0.65 2.83 -0.00 -1.94 -0.92 116.42 125.64 2wqo h ASP 256 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 2wqo h ASP 256 Cb 1.14 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 40.32 2wqo h ASP 256 CO 0.72 0.47 0.00 0.00 -0.00 0.00 0.00 179.24 180.43 2wqo n TYR 257 N -4.46 0.56 0.76 4.15 4.11 -1.26 -1.65 117.16 119.36 2wqo n TYR 257 Ca 0.09 0.22 0.12 0.00 -0.00 0.00 0.00 57.90 58.32 2wqo n TYR 257 Cb 0.14 -0.85 0.14 0.00 -0.00 0.00 0.00 39.34 38.77 2wqo n TYR 257 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 2wqo n HIS 258 N -2.01 0.23 -2.36 -3.48 8.25 -0.35 -4.92 115.22 110.58 2wqo n HIS 258 Ca 0.03 0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 2wqo n HIS 258 Cb 0.21 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 2wqo n HIS 258 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wqo s ARG 259 N -3.10 4.28 0.52 -0.41 0.52 -0.66 -4.91 118.95 115.19 2wqo s ARG 259 Ca 0.07 1.84 -0.21 0.00 -0.52 0.00 0.00 55.73 56.91 2wqo s ARG 259 Cb 0.15 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 2wqo s ARG 259 CO 0.75 -0.12 1.17 -1.25 0.02 0.00 0.00 175.30 175.86 2wqo s PRO 260 N -2.00 3.43 0.76 3.54 0.04 -1.26 -5.01 135.00 134.50 2wqo s PRO 260 Ca 0.52 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2wqo s PRO 260 Cb -0.31 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.13 2wqo s PRO 260 CO 0.40 -0.81 1.13 -1.54 0.04 0.00 0.00 177.00 176.21 2wqo s SER 261 N -1.56 4.91 0.26 6.66 1.04 -1.26 -4.84 113.70 118.91 2wqo s SER 261 Ca 0.70 1.03 -0.02 0.00 0.48 0.00 0.00 55.95 58.14 2wqo s SER 261 Cb -0.27 -1.71 0.54 0.00 0.10 0.00 0.00 66.02 64.68 2wqo s SER 261 CO 0.32 -1.67 1.71 0.58 0.98 0.00 0.00 173.24 175.15 2wqo h VAL 262 N -0.89 0.57 -0.51 5.02 2.07 -1.95 0.74 116.25 121.29 2wqo h VAL 262 Ca -0.46 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 2wqo h VAL 262 Cb 1.28 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2wqo h VAL 262 CO 0.64 0.07 -0.12 -0.33 0.02 0.00 0.00 177.57 177.85 2wqo h GLU 263 N 0.39 0.97 -0.33 1.57 3.07 -1.97 -2.35 114.58 115.93 2wqo h GLU 263 Ca 0.46 -0.35 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2wqo h GLU 263 Cb 0.77 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 2wqo h GLU 263 CO -0.47 1.02 -0.07 0.93 -1.40 0.00 0.00 179.01 179.02 2wqo h GLU 264 N 0.86 0.53 -0.36 2.33 5.08 -1.61 -2.63 114.58 118.79 2wqo h GLU 264 Ca 0.13 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2wqo h GLU 264 Cb 0.67 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2wqo h GLU 264 CO 0.05 0.61 0.08 0.82 -1.00 0.00 0.00 179.01 179.57 2wqo h ILE 265 N 0.50 1.23 0.00 3.13 2.04 -0.57 -2.98 117.51 120.86 2wqo h ILE 265 Ca 0.10 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2wqo h ILE 265 Cb 0.43 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2wqo h ILE 265 CO 0.02 0.26 -0.04 -0.07 0.00 0.00 0.00 178.15 178.32 2wqo h LEU 266 N 0.43 0.00 -0.14 1.44 3.38 -1.30 -2.34 115.31 116.78 2wqo h LEU 266 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wqo h LEU 266 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wqo h LEU 266 CO 0.00 0.04 0.00 1.21 0.09 0.00 0.00 178.44 179.78 2wqo n GLU 267 N -3.14 0.07 -2.04 1.13 2.13 -1.00 -4.84 120.64 112.95 2wqo n GLU 267 Ca 0.01 0.21 -0.42 0.00 0.66 0.00 0.00 57.16 57.63 2wqo n GLU 267 Cb 0.39 -1.61 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 2wqo n GLU 267 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2wqo s ASN 268 N -3.45 6.69 0.61 4.31 3.84 -0.88 -4.91 114.94 121.14 2wqo s ASN 268 Ca 0.09 2.56 0.32 0.00 0.21 0.00 0.00 52.86 56.04 2wqo s ASN 268 Cb 0.13 -2.61 1.88 0.00 -0.55 0.00 0.00 41.25 40.10 2wqo s ASN 268 CO 0.41 -0.71 2.20 -0.65 -2.79 0.00 0.00 177.10 175.56 2wqo h PRO 269 N 5.97 0.00 -0.30 0.43 0.11 -1.90 -1.02 132.00 135.30 2wqo h PRO 269 Ca -0.44 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 2wqo h PRO 269 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2wqo h PRO 269 CO 0.84 0.00 0.20 -0.07 -0.21 0.00 0.00 178.00 178.76 2wqo h LEU 270 N 0.00 0.18 -8.57 2.35 3.38 -1.95 -3.42 115.31 107.27 2wqo h LEU 270 Ca 0.03 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.34 2wqo h LEU 270 Cb 0.21 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 2wqo h LEU 270 CO -0.00 0.12 0.14 -0.63 0.09 0.00 0.00 178.44 178.16 2wqo s ILE 271 N -5.22 4.81 0.46 1.22 1.01 -0.39 -5.03 121.20 118.06 2wqo s ILE 271 Ca -0.06 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.72 2wqo s ILE 271 Cb 0.18 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2wqo s ILE 271 CO 0.71 -0.64 0.23 -0.76 0.00 0.00 0.00 174.94 174.49 2wqo s LEU 272 N 2.85 2.95 0.20 2.97 1.43 -1.26 -4.91 118.68 122.91 2wqo s LEU 272 Ca 0.22 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 2wqo s LEU 272 Cb -0.14 -1.35 0.21 0.00 0.03 0.00 0.00 46.19 44.93 2wqo s LEU 272 CO 0.19 -0.73 1.79 -0.08 0.23 0.00 0.00 176.35 177.74 2wqo h GLU 273 N 1.22 0.54 0.00 1.70 4.22 -1.99 -2.39 114.58 117.87 2wqo h GLU 273 Ca -0.41 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2wqo h GLU 273 Cb 1.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2wqo h GLU 273 CO 0.66 0.35 0.00 -2.39 -2.18 0.00 0.00 179.01 175.46 2wqo n HIS 274 N -4.87 0.72 0.54 0.92 1.44 -1.26 -1.57 115.22 111.14 2wqo n HIS 274 Ca 0.07 0.31 0.13 0.00 -2.01 0.00 0.00 57.72 56.22 2wqo n HIS 274 Cb 0.18 -1.00 0.41 0.00 0.12 0.00 0.00 29.99 29.70 2wqo n HIS 274 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2wqo h HIS 275 N 0.00 0.00 -4.50 -1.40 3.86 -1.80 -3.46 115.15 107.84 2wqo h HIS 275 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 2wqo h HIS 275 Cb 0.24 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.82 2wqo h HIS 275 CO 0.00 0.00 0.40 -1.01 0.86 0.00 0.00 177.93 178.18 2wqo s HIS 276 N -3.16 2.71 0.54 2.45 4.02 -0.61 -4.48 115.29 116.76 2wqo s HIS 276 Ca 0.09 0.69 -0.21 0.00 1.02 0.00 0.00 55.06 56.65 2wqo s HIS 276 Cb 0.11 -3.59 -0.05 0.00 -1.02 0.00 0.00 32.58 28.03 2wqo s HIS 276 CO 0.57 -1.96 1.26 -3.38 1.02 0.00 0.00 174.74 172.25 2wqo s HIS 277 N -3.61 2.46 -0.02 1.40 -3.43 -1.26 -4.99 115.29 105.84 2wqo s HIS 277 Ca 0.64 1.46 0.00 0.00 -0.80 0.00 0.00 55.06 56.36 2wqo s HIS 277 Cb -0.10 -3.59 0.03 0.00 -1.43 0.00 0.00 32.58 27.48 2wqo s HIS 277 CO 0.50 -2.33 0.02 -1.01 -2.00 0.00 0.00 174.74 169.91 2wqo s HIS 278 N -1.45 0.09 -2.00 0.38 0.09 -1.26 -5.08 115.29 106.05 2wqo s HIS 278 Ca 0.72 0.08 0.15 0.00 -0.00 0.00 0.00 55.06 56.02 2wqo s HIS 278 Cb -0.34 -0.24 0.92 0.00 -0.00 0.00 0.00 32.58 32.92 2wqo s HIS 278 CO 0.40 -0.08 1.34 0.72 -0.00 0.00 0.00 174.74 177.11