#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyh s ARG 3 N 0.00 2.52 0.05 1.61 1.81 -1.26 -5.05 118.95 118.64 2qyh s ARG 3 Ca 0.00 1.80 0.08 0.00 -1.72 0.00 0.00 55.73 55.89 2qyh s ARG 3 Cb 0.00 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.59 2qyh s ARG 3 CO 0.00 -1.55 -0.20 0.15 -0.68 0.00 0.00 175.30 173.02 2qyh s LYS 4 N -3.65 1.95 0.00 3.54 1.02 -1.26 -4.65 119.74 116.69 2qyh s LYS 4 Ca 0.76 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.71 2qyh s LYS 4 Cb -0.30 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2qyh s LYS 4 CO 0.40 0.52 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.82 2qyh s ILE 5 N -0.93 0.26 -0.10 2.17 2.07 -0.91 -0.93 121.20 122.83 2qyh s ILE 5 Ca 0.14 -0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 2qyh s ILE 5 Cb -0.10 -0.25 0.00 0.00 0.13 0.00 0.00 42.46 42.24 2qyh s ILE 5 CO 0.05 -0.01 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.14 2qyh s VAL 6 N -0.28 2.04 -0.14 4.00 1.01 0.00 -0.98 120.40 126.04 2qyh s VAL 6 Ca -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2qyh s VAL 6 Cb -0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2qyh s VAL 6 CO -0.00 0.56 -0.01 -0.36 0.00 0.00 0.00 175.10 175.28 2qyh s PHE 7 N 0.33 3.09 0.05 5.22 0.08 0.29 -1.13 117.98 125.92 2qyh s PHE 7 Ca -0.19 -0.12 0.09 0.00 0.12 0.00 0.00 56.93 56.83 2qyh s PHE 7 Cb -0.18 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 2qyh s PHE 7 CO 0.09 0.11 -0.23 -0.06 -0.10 0.00 0.00 175.22 175.03 2qyh s PHE 8 N 0.09 2.42 0.42 0.36 0.08 0.06 -1.11 117.98 120.30 2qyh s PHE 8 Ca 0.01 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.80 2qyh s PHE 8 Cb -0.13 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2qyh s PHE 8 CO 0.02 0.20 0.57 0.34 -0.10 0.00 0.00 175.22 176.25 2qyh s ASP 9 N -1.42 5.68 0.00 1.36 -1.08 -0.91 -0.80 116.67 119.49 2qyh s ASP 9 Ca 0.13 -0.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 2qyh s ASP 9 Cb -0.10 -0.72 0.00 0.00 -1.46 0.00 0.00 42.92 40.64 2qyh s ASP 9 CO 0.04 -0.74 0.00 -0.38 0.52 0.00 0.00 175.17 174.61 2qyh n ILE 10 N -1.84 0.00 -1.73 4.11 -0.00 -1.26 -3.15 119.36 115.49 2qyh n ILE 10 Ca 0.07 0.17 -0.63 0.00 -0.00 0.00 0.00 62.75 62.36 2qyh n ILE 10 Cb 0.59 -0.67 -0.09 0.00 -0.00 0.00 0.00 39.64 39.47 2qyh n ILE 10 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2qyh n ASP 11 N -1.21 1.80 0.00 4.38 9.92 -1.26 -0.72 116.55 129.45 2qyh n ASP 11 Ca 0.00 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 2qyh n ASP 11 Cb 0.00 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 2qyh n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qyh n GLY 12 N 4.07 0.76 0.34 0.44 0.00 -0.97 -4.46 105.19 105.37 2qyh n GLY 12 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2qyh n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qyh n THR 13 N -2.00 0.00 0.08 2.61 -1.04 0.11 -4.25 114.28 109.78 2qyh n THR 13 Ca 0.00 0.14 -0.22 0.00 -2.04 0.00 0.00 64.05 61.93 2qyh n THR 13 Cb 0.00 -1.04 -0.13 0.00 -1.82 0.00 0.00 70.33 67.34 2qyh n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qyh h LEU 14 N 0.00 0.79 -9.65 -4.42 3.38 -1.17 -3.45 115.31 100.78 2qyh h LEU 14 Ca 0.00 -0.84 -0.65 0.00 0.09 0.00 0.00 57.88 56.48 2qyh h LEU 14 Cb 0.00 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.42 2qyh h LEU 14 CO 0.00 1.55 -0.56 -0.76 0.09 0.00 0.00 178.44 178.77 2qyh s LEU 15 N -7.91 4.02 0.00 1.67 1.43 -1.12 -4.24 118.68 112.52 2qyh s LEU 15 Ca -0.10 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2qyh s LEU 15 Cb 0.05 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2qyh s LEU 15 CO 0.91 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.84 2qyh n ASP 16 N 0.94 0.00 0.23 2.29 3.85 -0.46 -2.28 116.55 121.12 2qyh n ASP 16 Ca -0.11 -0.68 0.06 0.00 -0.71 0.00 0.00 54.79 53.35 2qyh n ASP 16 Cb 0.52 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.83 2qyh n ASP 16 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2qyh h GLU 17 N 0.00 0.00 -0.14 0.11 3.07 -1.96 -1.26 114.58 114.39 2qyh h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qyh h GLU 17 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2qyh h GLU 17 CO 0.00 0.15 0.00 1.04 -1.40 0.00 0.00 179.01 178.80 2qyh n GLN 18 N -4.30 1.48 -1.53 2.33 3.00 -1.26 -4.87 117.38 112.22 2qyh n GLN 18 Ca -0.02 -0.72 -0.12 0.00 -0.01 0.00 0.00 57.00 56.12 2qyh n GLN 18 Cb 0.22 -1.30 -0.04 0.00 0.00 0.00 0.00 30.24 29.12 2qyh n GLN 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2qyh n LYS 19 N -0.02 -0.86 -3.92 -1.09 4.76 -0.48 -5.01 118.16 111.55 2qyh n LYS 19 Ca 0.13 0.85 -0.27 0.00 -2.87 0.00 0.00 58.31 56.15 2qyh n LYS 19 Cb 0.22 -4.89 -0.03 0.00 -1.84 0.00 0.00 35.03 28.48 2qyh n LYS 19 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2qyh s GLN 20 N -3.35 3.45 -0.30 1.97 -1.52 -1.26 -4.78 119.66 113.87 2qyh s GLN 20 Ca 0.00 -0.56 -0.17 0.00 -1.95 0.00 0.00 55.36 52.69 2qyh s GLN 20 Cb 0.00 -2.97 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 2qyh s GLN 20 CO 0.00 0.53 0.44 -1.17 -0.25 0.00 0.00 175.29 174.84 2qyh s LEU 21 N -3.14 4.17 0.46 2.90 2.96 -1.26 -1.35 118.68 123.41 2qyh s LEU 21 Ca 0.35 0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.23 2qyh s LEU 21 Cb -0.11 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.99 2qyh s LEU 21 CO 0.28 -0.31 1.23 -2.84 -1.32 0.00 0.00 176.35 173.40 2qyh s PRO 22 N 2.21 3.68 0.20 0.98 0.02 -1.26 -4.94 135.00 135.89 2qyh s PRO 22 Ca 0.17 1.95 -0.10 0.00 0.02 0.00 0.00 61.00 63.04 2qyh s PRO 22 Cb -0.16 -2.46 0.19 0.00 0.02 0.00 0.00 34.50 32.10 2qyh s PRO 22 CO 0.11 -0.67 1.83 -0.07 -0.33 0.00 0.00 177.00 177.87 2qyh h LEU 23 N 2.07 0.63 -2.02 -5.54 4.07 -1.99 -1.97 115.31 110.57 2qyh h LEU 23 Ca -0.50 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 2qyh h LEU 23 Cb 1.26 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 2qyh h LEU 23 CO 0.60 0.43 -0.04 0.77 -1.08 0.00 0.00 178.44 179.12 2qyh h SER 24 N 0.77 0.00 -0.17 -0.43 4.64 -1.99 -1.91 113.55 114.46 2qyh h SER 24 Ca 0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2qyh h SER 24 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2qyh h SER 24 CO -0.13 0.04 -0.32 0.74 -0.87 0.00 0.00 176.83 176.29 2qyh h THR 25 N 0.00 1.35 -0.97 2.95 2.02 -1.74 0.46 112.91 116.97 2qyh h THR 25 Ca -0.00 -1.56 0.05 0.00 0.77 0.00 0.00 66.41 65.67 2qyh h THR 25 Cb 0.08 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 2qyh h THR 25 CO 0.01 0.47 0.63 0.40 0.37 0.00 0.00 175.52 177.40 2qyh h ILE 26 N 0.15 1.11 -0.30 3.11 2.04 -1.14 0.07 117.51 122.56 2qyh h ILE 26 Ca 0.01 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2qyh h ILE 26 Cb 0.91 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2qyh h ILE 26 CO 0.07 0.21 0.06 -0.33 0.00 0.00 0.00 178.15 178.16 2qyh h GLU 27 N 1.17 0.49 0.05 2.37 4.39 -1.18 -1.33 114.58 120.54 2qyh h GLU 27 Ca 0.41 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 60.01 2qyh h GLU 27 Cb 0.12 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2qyh h GLU 27 CO -0.15 0.58 -0.23 0.00 -1.16 0.00 0.00 179.01 178.05 2qyh h ALA 28 N 0.89 -0.34 -0.81 3.43 0.00 0.27 0.04 119.26 122.73 2qyh h ALA 28 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qyh h ALA 28 Cb 0.32 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2qyh h ALA 28 CO 0.00 -0.75 0.54 0.28 0.00 0.00 0.00 179.25 179.32 2qyh h VAL 29 N -0.39 1.15 0.63 0.00 2.07 -0.98 0.12 116.25 118.85 2qyh h VAL 29 Ca 0.05 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2qyh h VAL 29 Cb 0.45 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qyh h VAL 29 CO -0.17 0.19 -0.41 -0.09 0.02 0.00 0.00 177.57 177.11 2qyh h ARG 30 N 1.03 -0.94 -0.75 1.57 2.43 -0.17 0.23 114.38 117.79 2qyh h ARG 30 Ca 0.32 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.65 2qyh h ARG 30 Cb -0.01 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 2qyh h ARG 30 CO -0.09 -0.63 0.39 0.00 -1.51 0.00 0.00 179.97 178.14 2qyh h ARG 31 N -0.98 0.63 -0.93 0.20 2.47 -0.80 -1.04 114.38 113.93 2qyh h ARG 31 Ca -0.08 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.68 2qyh h ARG 31 Cb 0.79 -0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 28.89 2qyh h ARG 31 CO 0.07 0.42 0.58 1.25 0.56 0.00 0.00 179.97 182.85 2qyh h LEU 32 N 0.65 0.88 -0.07 3.04 5.85 -0.52 -0.12 115.31 125.02 2qyh h LEU 32 Ca 0.37 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 2qyh h LEU 32 Cb 0.38 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qyh h LEU 32 CO -0.27 0.52 -0.41 0.11 -0.34 0.00 0.00 178.44 178.06 2qyh h LYS 33 N 0.99 0.41 0.00 1.25 1.57 0.30 -0.69 116.57 120.40 2qyh h LYS 33 Ca 0.43 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2qyh h LYS 33 Cb 0.30 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2qyh h LYS 33 CO -0.22 0.98 -0.07 -0.56 -0.57 0.00 0.00 179.45 179.01 2qyh h GLN 34 N -0.06 0.00 -0.01 3.15 3.07 -1.09 -1.05 115.11 119.13 2qyh h GLN 34 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2qyh h GLN 34 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.62 2qyh h GLN 34 CO 0.08 0.07 0.00 0.45 0.09 0.00 0.00 178.83 179.53 2qyh n SER 35 N -3.26 0.35 0.00 0.06 2.88 -0.08 -4.90 113.62 108.67 2qyh n SER 35 Ca -0.00 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 2qyh n SER 35 Cb 0.29 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2qyh n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qyh n GLY 36 N 1.03 0.66 3.66 0.46 0.00 -0.40 -5.02 105.19 105.57 2qyh n GLY 36 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2qyh n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qyh s VAL 37 N -2.53 4.90 0.24 1.61 1.01 -0.27 -4.69 120.40 120.67 2qyh s VAL 37 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 2qyh s VAL 37 Cb 0.00 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2qyh s VAL 37 CO 0.00 0.02 1.41 -0.47 0.00 0.00 0.00 175.10 176.06 2qyh s TYR 38 N 2.33 3.06 -0.12 5.22 5.04 -0.11 -4.18 117.35 128.59 2qyh s TYR 38 Ca 0.34 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 56.06 2qyh s TYR 38 Cb -0.16 -3.78 -0.01 0.00 0.35 0.00 0.00 41.96 38.37 2qyh s TYR 38 CO 0.10 -2.50 -0.17 0.08 -1.34 0.00 0.00 175.55 171.71 2qyh s VAL 39 N -0.03 2.63 0.24 3.14 1.01 -1.26 -0.82 120.40 125.31 2qyh s VAL 39 Ca 0.58 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2qyh s VAL 39 Cb -0.41 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2qyh s VAL 39 CO 0.43 0.54 0.34 0.00 0.00 0.00 0.00 175.10 176.40 2qyh s ALA 40 N 0.41 0.46 0.06 5.51 0.00 -0.28 -4.74 121.76 123.18 2qyh s ALA 40 Ca -0.13 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.62 2qyh s ALA 40 Cb -0.17 1.21 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 2qyh s ALA 40 CO 0.06 -0.74 -0.20 0.42 0.00 0.00 0.00 175.76 175.30 2qyh s ILE 41 N -3.97 2.69 -0.11 0.00 1.01 -1.10 -0.76 121.20 118.96 2qyh s ILE 41 Ca 0.30 -1.32 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 2qyh s ILE 41 Cb 0.02 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.39 2qyh s ILE 41 CO 0.12 0.27 0.05 0.00 0.00 0.00 0.00 174.94 175.38 2qyh s ALA 42 N -0.97 0.52 0.20 9.38 0.00 0.02 0.59 121.76 131.50 2qyh s ALA 42 Ca 0.15 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 2qyh s ALA 42 Cb -0.10 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2qyh s ALA 42 CO 0.06 -0.79 0.39 -0.08 0.00 0.00 0.00 175.76 175.34 2qyh s THR 43 N 2.07 0.04 -0.35 0.00 -1.32 0.13 -3.76 115.64 112.45 2qyh s THR 43 Ca 0.03 -1.27 0.23 0.00 -1.21 0.00 0.00 61.69 59.47 2qyh s THR 43 Cb -0.14 -1.90 0.09 0.00 -1.51 0.00 0.00 72.50 69.04 2qyh s THR 43 CO -0.06 -0.17 1.22 1.23 -2.21 0.00 0.00 174.62 174.64 2qyh h GLY 44 N 2.39 0.00 -1.77 6.08 0.00 -1.92 -1.92 103.07 105.92 2qyh h GLY 44 Ca -0.30 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.49 2qyh h GLY 44 CO 0.42 0.00 0.40 0.50 0.00 0.00 0.00 176.54 177.86 2qyh s ARG 45 N -3.30 2.01 0.43 4.80 0.52 -1.26 -3.42 118.95 118.73 2qyh s ARG 45 Ca 0.02 1.83 -0.22 0.00 -0.52 0.00 0.00 55.73 56.84 2qyh s ARG 45 Cb 0.09 -1.81 -0.10 0.00 0.52 0.00 0.00 34.95 33.65 2qyh s ARG 45 CO 0.75 -1.95 0.98 0.00 0.02 0.00 0.00 175.30 175.10 2qyh s ALA 46 N -1.92 3.02 0.19 2.13 0.00 -1.26 -1.89 121.76 122.03 2qyh s ALA 46 Ca 0.76 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2qyh s ALA 46 Cb -0.31 -3.19 0.17 0.00 0.00 0.00 0.00 23.12 19.79 2qyh s ALA 46 CO 0.46 -0.00 1.63 -1.35 0.00 0.00 0.00 175.76 176.50 2qyh h PRO 47 N 2.02 -0.06 -2.74 0.00 0.11 -1.87 -3.29 132.00 126.16 2qyh h PRO 47 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2qyh h PRO 47 Cb 1.19 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2qyh h PRO 47 CO 0.61 -0.04 0.30 1.97 -0.21 0.00 0.00 178.00 180.63 2qyh n PHE 48 N -5.41 0.00 0.00 0.65 -1.74 -1.22 -2.93 117.46 106.82 2qyh n PHE 48 Ca 0.05 -0.29 0.00 0.00 -0.56 0.00 0.00 57.45 56.64 2qyh n PHE 48 Cb 0.31 -0.62 0.00 0.00 1.52 0.00 0.00 39.48 40.69 2qyh n PHE 48 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2qyh n PHE 50 N 2.83 0.00 0.04 2.97 1.16 -1.24 -4.85 117.46 118.38 2qyh n PHE 50 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 2qyh n PHE 50 Cb 0.18 0.00 0.31 0.00 -1.61 0.00 0.00 39.48 38.36 2qyh n PHE 50 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2qyh h GLU 51 N 0.21 0.41 -0.66 3.97 4.22 -1.86 -2.43 114.58 118.45 2qyh h GLU 51 Ca 0.00 -0.10 -0.06 0.00 0.08 0.00 0.00 59.36 59.28 2qyh h GLU 51 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2qyh h GLU 51 CO 0.00 0.52 0.17 1.12 -2.18 0.00 0.00 179.01 178.64 2qyh h HIS 52 N 0.39 1.09 -0.67 0.92 2.07 -1.91 -0.91 115.15 116.13 2qyh h HIS 52 Ca 0.08 -0.12 -0.03 0.00 -2.85 0.00 0.00 60.37 57.45 2qyh h HIS 52 Cb 0.42 -0.31 -0.03 0.00 2.57 0.00 0.00 27.41 30.06 2qyh h HIS 52 CO 0.01 0.90 0.31 0.28 -3.07 0.00 0.00 177.93 176.36 2qyh h VAL 53 N 0.97 1.22 -0.21 6.12 2.07 -1.88 0.15 116.25 124.69 2qyh h VAL 53 Ca 0.21 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2qyh h VAL 53 Cb 0.34 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2qyh h VAL 53 CO -0.00 0.27 -0.02 0.03 0.02 0.00 0.00 177.57 177.86 2qyh h ARG 54 N 0.95 0.38 -0.80 1.57 3.08 -1.16 -1.31 114.38 117.08 2qyh h ARG 54 Ca 0.23 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2qyh h ARG 54 Cb 0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2qyh h ARG 54 CO -0.03 0.60 0.36 -0.22 -1.07 0.00 0.00 179.97 179.61 2qyh h LYS 55 N 0.12 1.17 -0.38 0.04 1.63 -0.81 0.98 116.57 119.32 2qyh h LYS 55 Ca 0.06 -0.19 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 2qyh h LYS 55 Cb 0.44 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2qyh h LYS 55 CO 0.01 0.93 0.10 1.96 -3.45 0.00 0.00 179.45 179.00 2qyh h GLN 56 N 1.15 0.61 0.00 1.90 4.20 -0.86 -3.17 115.11 118.94 2qyh h GLN 56 Ca 0.27 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2qyh h GLN 56 Cb 0.16 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2qyh h GLN 56 CO -0.03 0.64 -0.69 1.28 -0.67 0.00 0.00 178.83 179.36 2qyh n LEU 57 N -4.59 0.67 -2.66 1.46 4.77 -0.51 -4.99 117.00 111.16 2qyh n LEU 57 Ca -0.01 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2qyh n LEU 57 Cb 0.20 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2qyh n LEU 57 CO 0.38 0.16 0.06 0.61 -1.33 0.00 0.00 177.39 177.27 2qyh n GLY 58 N 1.49 -0.24 3.19 -0.72 0.00 0.33 -5.02 105.19 104.23 2qyh n GLY 58 Ca 0.05 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2qyh n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qyh s ILE 59 N -3.25 2.70 -0.17 -0.61 1.01 -0.71 -4.99 121.20 115.18 2qyh s ILE 59 Ca 0.11 -0.91 0.16 0.00 0.00 0.00 0.00 60.65 60.02 2qyh s ILE 59 Cb -0.01 -2.28 0.35 0.00 0.01 0.00 0.00 42.46 40.52 2qyh s ILE 59 CO 0.50 0.34 1.23 -0.90 0.00 0.00 0.00 174.94 176.11 2qyh n ASP 60 N 4.67 2.86 -3.97 3.58 5.75 -1.26 -4.73 116.55 123.45 2qyh n ASP 60 Ca -0.18 -2.92 -0.25 0.00 -0.01 0.00 0.00 54.79 51.42 2qyh n ASP 60 Cb 0.49 -0.42 -0.17 0.00 -1.03 0.00 0.00 41.12 39.99 2qyh n ASP 60 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2qyh s SER 61 N -2.32 1.90 0.07 -1.12 0.01 -1.26 -0.90 113.70 110.07 2qyh s SER 61 Ca 0.32 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 2qyh s SER 61 Cb 0.27 -0.82 0.08 0.00 0.21 0.00 0.00 66.02 65.76 2qyh s SER 61 CO 0.05 -0.03 0.72 0.72 0.41 0.00 0.00 173.24 175.11 2qyh s PHE 62 N 1.09 -0.48 -0.26 2.43 -0.71 0.76 -2.70 117.98 118.10 2qyh s PHE 62 Ca -0.07 0.40 -0.05 0.00 -1.04 0.00 0.00 56.93 56.17 2qyh s PHE 62 Cb -0.14 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.20 2qyh s PHE 62 CO -0.01 -0.70 0.01 0.08 -1.34 0.00 0.00 175.22 173.26 2qyh s VAL 63 N -3.13 3.61 0.40 -2.49 1.01 0.20 -0.65 120.40 119.36 2qyh s VAL 63 Ca 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2qyh s VAL 63 Cb -0.01 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 2qyh s VAL 63 CO -0.08 0.23 0.01 -0.94 0.00 0.00 0.00 175.10 174.33 2qyh s SER 64 N 1.47 3.74 -1.51 3.32 1.04 0.25 0.22 113.70 122.22 2qyh s SER 64 Ca 0.03 -1.37 -0.10 0.00 0.48 0.00 0.00 55.95 54.99 2qyh s SER 64 Cb -0.16 -0.36 0.07 0.00 0.10 0.00 0.00 66.02 65.67 2qyh s SER 64 CO -0.01 -0.47 0.80 0.49 0.98 0.00 0.00 173.24 175.04 2qyh n PHE 65 N -0.95 -2.02 -4.13 5.02 3.72 -0.79 -1.38 117.46 116.93 2qyh n PHE 65 Ca -0.05 0.85 -0.34 0.00 -0.05 0.00 0.00 57.45 57.86 2qyh n PHE 65 Cb 0.67 -3.81 -0.02 0.00 -0.94 0.00 0.00 39.48 35.38 2qyh n PHE 65 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qyh n ASN 66 N -2.86 -3.06 0.00 4.37 3.02 -0.74 -1.35 115.26 114.64 2qyh n ASN 66 Ca -0.07 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2qyh n ASN 66 Cb 0.57 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 2qyh n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qyh n GLY 67 N -1.54 0.92 0.06 7.41 0.00 -0.48 -2.15 105.19 109.41 2qyh n GLY 67 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2qyh n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qyh n GLN 68 N -2.00 0.12 -3.45 1.61 1.13 -0.46 -4.48 117.38 109.85 2qyh n GLN 68 Ca 0.00 0.24 -0.17 0.00 -1.94 0.00 0.00 57.00 55.12 2qyh n GLN 68 Cb 0.00 -1.68 -0.11 0.00 0.11 0.00 0.00 30.24 28.56 2qyh n GLN 68 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2qyh s TYR 69 N -3.11 -0.38 -0.11 1.08 5.04 -0.89 -0.83 117.35 118.15 2qyh s TYR 69 Ca 0.09 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.88 2qyh s TYR 69 Cb 0.12 -0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.06 2qyh s TYR 69 CO 0.44 -0.72 -0.17 0.08 -1.34 0.00 0.00 175.55 173.84 2qyh s VAL 70 N 2.36 2.72 -0.13 3.14 1.01 0.09 -0.59 120.40 129.00 2qyh s VAL 70 Ca 0.08 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2qyh s VAL 70 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2qyh s VAL 70 CO -0.19 0.54 -0.21 -0.69 0.00 0.00 0.00 175.10 174.54 2qyh s VAL 71 N 0.26 1.99 -0.27 2.92 1.01 0.18 -0.18 120.40 126.31 2qyh s VAL 71 Ca -0.12 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 2qyh s VAL 71 Cb -0.16 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2qyh s VAL 71 CO 0.06 0.54 0.03 0.12 0.00 0.00 0.00 175.10 175.85 2qyh s PHE 72 N 0.78 3.10 -1.25 5.22 5.36 0.83 -0.17 117.98 131.86 2qyh s PHE 72 Ca -0.08 -1.08 -0.21 0.00 -0.96 0.00 0.00 56.93 54.60 2qyh s PHE 72 Cb -0.16 -2.19 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2qyh s PHE 72 CO -0.01 -0.60 0.62 0.39 -1.46 0.00 0.00 175.22 174.16 2qyh n GLU 73 N 4.82 -1.11 -0.45 10.12 1.02 -0.93 -1.46 120.64 132.66 2qyh n GLU 73 Ca -0.15 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2qyh n GLU 73 Cb 0.48 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.41 2qyh n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qyh n GLY 74 N -1.98 2.08 3.46 0.62 0.00 -0.08 -5.00 105.19 104.29 2qyh n GLY 74 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2qyh n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qyh s ASN 75 N -3.54 3.72 -0.19 1.61 0.01 -0.53 -5.08 114.94 110.94 2qyh s ASN 75 Ca 0.00 -0.64 -0.29 0.00 -0.71 0.00 0.00 52.86 51.22 2qyh s ASN 75 Cb 0.00 -0.44 -0.01 0.00 0.41 0.00 0.00 41.25 41.20 2qyh s ASN 75 CO 0.00 0.17 1.27 -0.69 -1.51 0.00 0.00 177.10 176.34 2qyh s VAL 76 N -1.21 4.25 -0.12 1.60 1.01 -1.26 -0.12 120.40 124.56 2qyh s VAL 76 Ca 0.18 1.50 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 2qyh s VAL 76 Cb -0.10 -4.02 -0.26 0.00 0.00 0.00 0.00 36.38 32.00 2qyh s VAL 76 CO 0.09 -0.19 0.37 0.25 0.00 0.00 0.00 175.10 175.63 2qyh h LEU 77 N 9.93 0.39 -7.30 3.92 5.85 -0.91 -3.46 115.31 123.73 2qyh h LEU 77 Ca -0.26 -0.92 -0.10 0.00 0.84 0.00 0.00 57.88 57.44 2qyh h LEU 77 Cb 1.10 -0.13 -0.21 0.00 0.37 0.00 0.00 40.66 41.80 2qyh h LEU 77 CO 0.98 1.83 -0.12 -0.47 -0.34 0.00 0.00 178.44 180.32 2qyh s TYR 78 N -2.54 -0.41 -0.18 1.25 6.14 -0.94 -5.00 117.35 115.66 2qyh s TYR 78 Ca -0.23 0.81 -0.10 0.00 0.64 0.00 0.00 57.07 58.19 2qyh s TYR 78 Cb 0.06 0.20 0.06 0.00 0.42 0.00 0.00 41.96 42.71 2qyh s TYR 78 CO 0.76 -0.40 0.45 -1.59 0.64 0.00 0.00 175.55 175.41 2qyh s LYS 79 N -0.79 0.43 -0.40 4.97 -2.85 -1.26 -0.73 119.74 119.12 2qyh s LYS 79 Ca -0.09 0.85 0.01 0.00 -1.00 0.00 0.00 55.97 55.75 2qyh s LYS 79 Cb -0.03 0.00 0.14 0.00 -2.06 0.00 0.00 37.83 35.88 2qyh s LYS 79 CO 0.05 -0.16 0.24 -1.14 0.10 0.00 0.00 175.35 174.44 2qyh s GLN 80 N 1.46 0.90 0.64 1.78 2.00 -0.01 -5.01 119.66 121.43 2qyh s GLN 80 Ca -0.09 -1.72 -0.11 0.00 -2.00 0.00 0.00 55.36 51.44 2qyh s GLN 80 Cb -0.08 -1.74 -0.03 0.00 0.80 0.00 0.00 33.01 31.97 2qyh s GLN 80 CO -0.14 -1.22 1.05 -1.25 -0.50 0.00 0.00 175.29 173.23 2qyh s PRO 81 N 0.62 3.40 0.67 1.67 0.04 -1.26 -4.84 135.00 135.30 2qyh s PRO 81 Ca 0.20 0.67 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 2qyh s PRO 81 Cb -0.20 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2qyh s PRO 81 CO -0.02 -0.70 1.28 -0.51 0.04 0.00 0.00 177.00 177.09 2qyh s LEU 82 N -5.23 3.51 0.07 -3.56 1.02 -0.38 -4.90 118.68 109.22 2qyh s LEU 82 Ca 0.56 2.59 -0.31 0.00 0.02 0.00 0.00 54.13 56.99 2qyh s LEU 82 Cb -0.11 -4.61 -0.08 0.00 0.02 0.00 0.00 46.19 41.40 2qyh s LEU 82 CO 0.53 -2.11 1.61 -0.13 0.02 0.00 0.00 176.35 176.28 2qyh s ARG 83 N -3.49 4.21 0.24 1.70 0.52 -1.26 -4.75 118.95 116.12 2qyh s ARG 83 Ca 0.81 2.29 -0.04 0.00 -0.52 0.00 0.00 55.73 58.27 2qyh s ARG 83 Cb -0.36 -3.54 0.43 0.00 0.52 0.00 0.00 34.95 32.00 2qyh s ARG 83 CO 0.41 -0.70 1.76 -0.09 0.02 0.00 0.00 175.30 176.70 2qyh h ARG 84 N 8.07 0.54 -0.62 3.54 2.43 -1.95 -0.92 114.38 125.47 2qyh h ARG 84 Ca -0.42 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.83 2qyh h ARG 84 Cb 1.20 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 2qyh h ARG 84 CO 0.92 0.36 0.18 1.49 -1.51 0.00 0.00 179.97 181.41 2qyh h GLU 85 N 0.55 0.31 -0.25 0.20 4.81 -2.00 0.23 114.58 118.44 2qyh h GLU 85 Ca 0.40 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.46 2qyh h GLU 85 Cb 0.54 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2qyh h GLU 85 CO -0.34 0.21 -0.47 0.87 -0.73 0.00 0.00 179.01 178.55 2qyh h LYS 86 N 0.32 0.66 -0.54 1.92 1.79 -1.59 -1.91 116.57 117.23 2qyh h LYS 86 Ca 0.33 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2qyh h LYS 86 Cb 0.47 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 2qyh h LYS 86 CO -0.38 0.99 0.21 0.28 -1.08 0.00 0.00 179.45 179.47 2qyh h VAL 87 N 0.53 1.22 0.57 0.50 2.07 -0.45 -1.15 116.25 119.54 2qyh h VAL 87 Ca 0.03 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2qyh h VAL 87 Cb 1.01 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2qyh h VAL 87 CO 0.10 0.26 -0.42 -0.09 0.02 0.00 0.00 177.57 177.44 2qyh h ARG 88 N 0.73 -0.93 -0.76 1.57 2.43 -0.85 0.22 114.38 116.80 2qyh h ARG 88 Ca 0.18 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.58 2qyh h ARG 88 Cb 0.21 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 29.86 2qyh h ARG 88 CO -0.01 -0.62 0.19 0.00 -1.51 0.00 0.00 179.97 178.02 2qyh h ALA 89 N -0.69 0.99 -0.60 2.80 0.00 -1.22 0.26 119.26 120.80 2qyh h ALA 89 Ca -0.07 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qyh h ALA 89 Cb 0.80 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2qyh h ALA 89 CO 0.02 -0.35 0.32 1.25 0.00 0.00 0.00 179.25 180.49 2qyh h LEU 90 N 0.27 0.76 0.43 0.00 5.85 -0.90 0.86 115.31 122.57 2qyh h LEU 90 Ca 0.43 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2qyh h LEU 90 Cb 0.75 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2qyh h LEU 90 CO -0.53 0.64 -0.26 0.74 -0.34 0.00 0.00 178.44 178.70 2qyh h THR 91 N 0.81 0.46 -0.92 1.05 2.02 0.15 0.25 112.91 116.73 2qyh h THR 91 Ca 0.21 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.42 2qyh h THR 91 Cb 0.06 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2qyh h THR 91 CO -0.03 0.00 0.60 -0.33 0.37 0.00 0.00 175.52 176.13 2qyh h GLU 92 N -0.65 1.13 -0.42 6.66 5.08 -0.55 0.10 114.58 125.92 2qyh h GLU 92 Ca -0.05 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2qyh h GLU 92 Cb 0.53 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2qyh h GLU 92 CO 0.05 0.75 -0.12 1.49 -1.00 0.00 0.00 179.01 180.17 2qyh h GLU 93 N 1.16 0.83 -0.30 2.33 4.81 -0.51 -2.09 114.58 120.81 2qyh h GLU 93 Ca 0.37 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2qyh h GLU 93 Cb 0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2qyh h GLU 93 CO -0.12 0.95 -0.04 0.00 -0.73 0.00 0.00 179.01 179.07 2qyh h ALA 94 N 0.85 1.38 0.88 2.92 0.00 0.03 -2.85 119.26 122.47 2qyh h ALA 94 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2qyh h ALA 94 Cb 0.66 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qyh h ALA 94 CO 0.05 0.43 -0.42 1.25 0.00 0.00 0.00 179.25 180.55 2qyh h HIS 95 N 0.45 -1.09 -1.19 0.00 -0.00 -0.45 0.26 115.15 113.13 2qyh h HIS 95 Ca 0.09 -0.03 0.36 0.00 -0.00 0.00 0.00 60.37 60.80 2qyh h HIS 95 Cb 0.36 0.36 -0.12 0.00 -0.00 0.00 0.00 27.41 28.01 2qyh h HIS 95 CO 0.01 -0.68 0.76 0.87 -0.00 0.00 0.00 177.93 178.89 2qyh h LYS 96 N -1.19 0.21 -0.01 5.26 1.57 -1.27 0.67 116.57 121.80 2qyh h LYS 96 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2qyh h LYS 96 Cb 0.90 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2qyh h LYS 96 CO 0.20 0.14 -0.07 0.09 -0.57 0.00 0.00 179.45 179.24 2qyh n ASN 97 N -4.69 0.95 -0.04 0.86 3.02 -1.01 -4.91 115.26 109.44 2qyh n ASN 97 Ca 0.32 -1.11 -0.01 0.00 -0.03 0.00 0.00 54.58 53.76 2qyh n ASN 97 Cb 1.19 0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 40.37 2qyh n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qyh n GLY 98 N 1.20 0.43 3.65 7.41 0.00 0.23 -5.01 105.19 113.11 2qyh n GLY 98 Ca 0.18 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2qyh n GLY 98 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qyh s HIS 99 N -1.83 3.35 0.79 1.61 3.76 0.01 -5.01 115.29 117.97 2qyh s HIS 99 Ca 0.00 0.75 -0.12 0.00 -0.15 0.00 0.00 55.06 55.55 2qyh s HIS 99 Cb 0.00 -2.69 0.07 0.00 1.11 0.00 0.00 32.58 31.07 2qyh s HIS 99 CO 0.00 -0.15 1.13 -1.25 -0.85 0.00 0.00 174.74 173.62 2qyh s PRO 100 N 1.81 2.11 0.05 8.40 0.04 -1.26 -4.18 135.00 141.97 2qyh s PRO 100 Ca 0.24 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.66 2qyh s PRO 100 Cb -0.15 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2qyh s PRO 100 CO 0.09 -1.54 -0.08 -0.51 0.04 0.00 0.00 177.00 175.00 2qyh s LEU 101 N -5.64 2.30 -0.10 -3.56 1.43 -1.26 -1.85 118.68 110.00 2qyh s LEU 101 Ca 0.61 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2qyh s LEU 101 Cb -0.12 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.91 2qyh s LEU 101 CO 0.52 -0.23 -0.21 -0.69 0.23 0.00 0.00 176.35 175.96 2qyh s VAL 102 N -1.70 1.89 0.22 -1.59 1.01 -0.53 -0.68 120.40 119.02 2qyh s VAL 102 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2qyh s VAL 102 Cb -0.08 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2qyh s VAL 102 CO -0.00 0.52 0.30 0.49 0.00 0.00 0.00 175.10 176.41 2qyh n PHE 103 N 3.69 -2.80 -3.46 5.22 3.72 0.18 -1.26 117.46 122.75 2qyh n PHE 103 Ca -0.20 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 2qyh n PHE 103 Cb 0.52 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2qyh n PHE 103 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2qyh n ASP 105 N -2.78 0.00 0.11 4.37 5.68 -0.84 -1.33 116.55 121.76 2qyh n ASP 105 Ca 0.06 -0.82 0.11 0.00 -0.50 0.00 0.00 54.79 53.64 2qyh n ASP 105 Cb 0.22 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.67 2qyh n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qyh n ALA 106 N -3.00 1.63 -0.05 2.12 0.00 -1.26 -3.89 120.51 116.05 2qyh n ALA 106 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 2qyh n ALA 106 Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 2qyh n ALA 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qyh n GLU 107 N -2.13 1.73 0.00 0.00 1.02 -1.26 -3.38 120.64 116.63 2qyh n GLU 107 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2qyh n GLU 107 Cb 0.21 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2qyh n GLU 107 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2qyh n LYS 108 N -2.52 0.00 0.00 3.49 2.85 -1.25 -4.69 118.16 116.04 2qyh n LYS 108 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2qyh n LYS 108 Cb 0.78 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 2qyh n LYS 108 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qyh n ARG 110 N 0.00 0.00 -3.58 -1.58 5.12 -0.44 -1.98 116.66 114.19 2qyh n ARG 110 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 2qyh n ARG 110 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 2qyh n ARG 110 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qyh s ALA 111 N -0.85 3.73 -0.47 7.54 0.00 -0.53 0.52 121.76 131.70 2qyh s ALA 111 Ca 0.00 -0.54 0.23 0.00 0.00 0.00 0.00 51.96 51.66 2qyh s ALA 111 Cb 0.00 -2.19 0.21 0.00 0.00 0.00 0.00 23.12 21.14 2qyh s ALA 111 CO 0.00 0.56 1.23 0.66 0.00 0.00 0.00 175.76 178.21 2qyh h SER 112 N 2.52 0.00 -3.46 0.00 4.64 -1.16 0.26 113.55 116.36 2qyh h SER 112 Ca -0.47 -0.12 -0.34 0.00 -0.47 0.00 0.00 61.79 60.40 2qyh h SER 112 Cb 1.17 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.91 2qyh h SER 112 CO 0.71 0.06 -0.74 -0.63 -0.87 0.00 0.00 176.83 175.36 2qyh s ILE 113 N -3.24 0.05 0.51 0.95 1.01 -1.26 -4.37 121.20 114.85 2qyh s ILE 113 Ca 0.04 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.82 2qyh s ILE 113 Cb 0.11 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.35 2qyh s ILE 113 CO 0.74 0.14 0.84 -0.83 0.00 0.00 0.00 174.94 175.83 2qyh s GLY 114 N 1.29 1.53 -1.70 6.18 0.00 -1.26 -4.29 107.32 109.07 2qyh s GLY 114 Ca -0.06 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.06 2qyh s GLY 114 CO -0.03 -0.25 0.66 1.34 0.00 0.00 0.00 173.10 174.83 2qyh n ASP 115 N -2.37 -2.45 -4.74 1.64 2.03 -1.26 -4.92 116.55 104.48 2qyh n ASP 115 Ca 0.02 -1.08 -0.38 0.00 0.52 0.00 0.00 54.79 53.87 2qyh n ASP 115 Cb 0.55 -2.49 -0.06 0.00 -0.72 0.00 0.00 41.12 38.40 2qyh n ASP 115 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2qyh s HIS 116 N -3.42 3.56 0.30 -0.67 2.46 -1.26 -5.00 115.29 111.26 2qyh s HIS 116 Ca 0.64 0.92 0.04 0.00 0.47 0.00 0.00 55.06 57.14 2qyh s HIS 116 Cb -0.36 -2.51 0.68 0.00 -0.13 0.00 0.00 32.58 30.26 2qyh s HIS 116 CO 0.95 0.26 1.79 -1.35 -2.47 0.00 0.00 174.74 173.92 2qyh h PRO 117 N 6.32 0.81 -0.23 2.88 0.11 -1.98 -1.48 132.00 138.43 2qyh h PRO 117 Ca -0.43 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 2qyh h PRO 117 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2qyh h PRO 117 CO 0.73 0.53 -0.59 0.45 -0.21 0.00 0.00 178.00 178.91 2qyh h HIS 118 N 0.83 0.96 -0.28 0.65 3.86 -1.94 -2.65 115.15 116.58 2qyh h HIS 118 Ca 0.55 -0.36 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2qyh h HIS 118 Cb 0.77 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2qyh h HIS 118 CO -0.01 1.16 0.08 0.82 0.86 0.00 0.00 177.93 180.83 2qyh h ILE 119 N 0.56 1.21 0.13 2.45 2.04 -1.77 -2.15 117.51 119.99 2qyh h ILE 119 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2qyh h ILE 119 Cb 1.18 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2qyh h ILE 119 CO 0.12 0.22 -0.32 0.45 0.00 0.00 0.00 178.15 178.63 2qyh h HIS 120 N 0.29 -0.91 -0.17 1.37 3.86 -1.21 -3.19 115.15 115.19 2qyh h HIS 120 Ca 0.09 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2qyh h HIS 120 Cb 0.27 0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.06 2qyh h HIS 120 CO 0.01 -0.37 -0.20 0.28 0.86 0.00 0.00 177.93 178.51 2qyh h VAL 121 N -0.50 0.48 0.00 2.45 2.07 -1.51 0.84 116.25 120.09 2qyh h VAL 121 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2qyh h VAL 121 Cb 0.48 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2qyh h VAL 121 CO -0.14 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 175.91 2qyh n SER 122 N -5.34 0.55 0.00 0.57 3.41 -0.81 -1.76 113.62 110.23 2qyh n SER 122 Ca -0.02 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 2qyh n SER 122 Cb 0.26 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2qyh n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qyh n ALA 124 N 0.53 0.00 0.25 7.33 0.00 0.29 -2.55 120.51 126.36 2qyh n ALA 124 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2qyh n ALA 124 Cb 0.11 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.19 2qyh n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qyh h SER 125 N 0.00 0.00 0.16 0.00 4.64 -1.58 0.69 113.55 117.45 2qyh h SER 125 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qyh h SER 125 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qyh h SER 125 CO 0.00 0.07 -0.06 0.18 -0.87 0.00 0.00 176.83 176.15 2qyh n LEU 126 N -4.35 0.67 -1.18 5.97 4.32 -1.06 -4.90 117.00 116.48 2qyh n LEU 126 Ca -0.03 -0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 55.72 2qyh n LEU 126 Cb 0.15 -0.08 0.01 0.00 -1.62 0.00 0.00 43.42 41.87 2qyh n LEU 126 CO 0.34 0.12 -0.04 0.29 -1.22 0.00 0.00 177.39 176.87 2qyh n LYS 127 N -0.63 -1.43 -4.33 3.23 4.76 0.24 -5.04 118.16 114.96 2qyh n LYS 127 Ca 0.18 0.38 -0.25 0.00 -2.87 0.00 0.00 58.31 55.75 2qyh n LYS 127 Cb 0.26 -4.19 -0.12 0.00 -1.84 0.00 0.00 35.03 29.14 2qyh n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2qyh s PHE 128 N -2.63 1.96 0.66 2.13 0.40 -1.26 -4.98 117.98 114.25 2qyh s PHE 128 Ca 0.07 -0.41 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 2qyh s PHE 128 Cb -0.03 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.49 2qyh s PHE 128 CO 0.09 0.29 0.99 0.00 0.70 0.00 0.00 175.22 177.29 2qyh s ALA 129 N -1.37 3.13 0.11 5.36 0.00 -1.26 -2.94 121.76 124.79 2qyh s ALA 129 Ca 0.11 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 2qyh s ALA 129 Cb -0.09 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 2qyh s ALA 129 CO 0.06 -1.04 1.79 -1.58 0.00 0.00 0.00 175.76 174.99 2qyh s HIS 130 N -3.17 2.20 0.63 0.00 2.46 -1.26 -4.91 115.29 111.23 2qyh s HIS 130 Ca 0.57 0.05 -0.18 0.00 0.47 0.00 0.00 55.06 55.97 2qyh s HIS 130 Cb -0.11 -4.13 -0.02 0.00 -0.13 0.00 0.00 32.58 28.20 2qyh s HIS 130 CO 0.47 -4.63 1.30 -2.14 -2.47 0.00 0.00 174.74 167.27 2qyh s PRO 131 N 2.75 2.63 0.64 2.88 0.02 -1.26 -4.93 135.00 137.74 2qyh s PRO 131 Ca 0.79 2.07 -0.18 0.00 0.02 0.00 0.00 61.00 63.70 2qyh s PRO 131 Cb -0.44 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 2qyh s PRO 131 CO 0.35 -1.54 1.17 -2.30 -0.33 0.00 0.00 177.00 174.36 2qyh n PRO 132 N -1.80 0.98 -3.03 5.54 -0.02 -1.26 -4.34 135.00 131.07 2qyh n PRO 132 Ca 0.15 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 2qyh n PRO 132 Cb 0.48 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 2qyh n PRO 132 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qyh s VAL 133 N -1.46 4.68 -0.44 -1.45 0.11 -1.26 -1.46 120.40 119.11 2qyh s VAL 133 Ca 0.80 1.57 0.01 0.00 -2.93 0.00 0.00 61.98 61.44 2qyh s VAL 133 Cb -0.39 -4.08 0.20 0.00 -1.53 0.00 0.00 36.38 30.58 2qyh s VAL 133 CO 0.43 0.41 0.87 -0.62 -3.33 0.00 0.00 175.10 172.87 2qyh s ASP 134 N -0.36 -0.98 0.64 3.54 -1.08 0.92 -4.86 116.67 114.49 2qyh s ASP 134 Ca 0.36 -1.11 0.31 0.00 -0.52 0.00 0.00 52.55 51.59 2qyh s ASP 134 Cb -0.21 1.28 1.68 0.00 -1.46 0.00 0.00 42.92 44.21 2qyh s ASP 134 CO 0.23 -0.04 1.98 -0.65 0.52 0.00 0.00 175.17 177.20 2qyh h PRO 135 N 4.82 0.00 -0.14 4.34 0.11 -1.76 -1.84 132.00 137.53 2qyh h PRO 135 Ca 0.03 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2qyh h PRO 135 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2qyh h PRO 135 CO -0.03 0.00 -0.11 1.28 -0.21 0.00 0.00 178.00 178.92 2qyh n LEU 136 N -3.17 3.20 0.03 2.35 4.77 -1.26 -4.72 117.00 118.20 2qyh n LEU 136 Ca 0.00 -3.39 0.05 0.00 -0.03 0.00 0.00 56.01 52.64 2qyh n LEU 136 Cb 0.40 -0.52 0.45 0.00 -2.33 0.00 0.00 43.42 41.42 2qyh n LEU 136 CO 0.18 0.96 1.15 0.22 -1.33 0.00 0.00 177.39 178.58 2qyh h TYR 137 N 0.86 0.45 0.00 -1.77 5.03 -1.72 -2.19 116.97 117.64 2qyh h TYR 137 Ca 0.05 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2qyh h TYR 137 Cb 1.26 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.39 2qyh h TYR 137 CO 0.50 0.28 0.00 0.10 -1.32 0.00 0.00 178.16 177.72 2qyh h TYR 138 N 0.48 0.00 -0.58 -3.82 -0.00 -1.84 -3.31 116.97 107.90 2qyh h TYR 138 Ca 0.13 0.00 0.09 0.00 -0.00 0.00 0.00 58.73 58.96 2qyh h TYR 138 Cb -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 36.61 2qyh h TYR 138 CO -0.00 0.00 0.19 0.93 -0.00 0.00 0.00 178.16 179.28 2qyh h GLU 139 N 0.00 0.34 -0.69 0.10 5.08 -1.76 -3.19 114.58 114.47 2qyh h GLU 139 Ca 0.00 -0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 57.89 2qyh h GLU 139 Cb 0.44 -0.08 -0.42 0.00 0.50 0.00 0.00 28.75 29.19 2qyh h GLU 139 CO 0.00 0.23 -0.92 0.09 -1.00 0.00 0.00 179.01 177.40 2qyh n ASN 140 N -5.04 3.76 -4.02 1.42 4.13 -1.25 -5.05 115.26 109.22 2qyh n ASN 140 Ca 0.08 -3.17 -0.08 0.00 1.68 0.00 0.00 54.58 53.09 2qyh n ASN 140 Cb 0.27 -0.39 -0.09 0.00 -1.54 0.00 0.00 39.78 38.02 2qyh n ASN 140 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qyh s LYS 141 N -3.65 0.66 -0.55 3.52 -0.14 -1.21 -5.11 119.74 113.26 2qyh s LYS 141 Ca 0.43 -1.12 -0.20 0.00 -1.36 0.00 0.00 55.97 53.72 2qyh s LYS 141 Cb 0.38 0.24 0.07 0.00 -1.68 0.00 0.00 37.83 36.84 2qyh s LYS 141 CO 0.00 -0.15 0.70 -0.51 -0.76 0.00 0.00 175.35 174.63 2qyh s ASP 142 N -2.83 6.21 -0.42 2.83 1.01 -1.26 -4.86 116.67 117.35 2qyh s ASP 142 Ca 0.05 -1.06 -0.21 0.00 0.71 0.00 0.00 52.55 52.04 2qyh s ASP 142 Cb 0.06 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.70 2qyh s ASP 142 CO -0.10 -1.03 0.65 -0.63 0.21 0.00 0.00 175.17 174.28 2qyh s ILE 143 N 2.84 4.82 -0.20 0.77 -1.09 -1.26 -4.23 121.20 122.85 2qyh s ILE 143 Ca 0.15 0.22 0.19 0.00 -2.23 0.00 0.00 60.65 58.99 2qyh s ILE 143 Cb -0.20 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 2qyh s ILE 143 CO 0.10 -0.56 1.07 1.88 -1.23 0.00 0.00 174.94 176.21 2qyh h TYR 144 N 8.81 0.00 -3.29 3.97 -1.99 -1.92 -1.00 116.97 121.56 2qyh h TYR 144 Ca -0.26 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.43 2qyh h TYR 144 Cb 1.10 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.70 2qyh h TYR 144 CO 0.74 0.28 0.01 -1.14 -0.00 0.00 0.00 178.16 178.05 2qyh s GLN 145 N -3.13 1.15 0.08 4.88 0.74 -1.26 -4.62 119.66 117.49 2qyh s GLN 145 Ca -0.00 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.74 2qyh s GLN 145 Cb 0.08 0.50 -0.04 0.00 1.10 0.00 0.00 33.01 34.66 2qyh s GLN 145 CO 0.78 -0.47 -0.03 0.00 -0.55 0.00 0.00 175.29 175.02 2qyh s ALA 146 N -3.80 0.72 -0.12 1.58 0.00 -1.09 -4.62 121.76 114.43 2qyh s ALA 146 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2qyh s ALA 146 Cb 0.01 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2qyh s ALA 146 CO -0.11 -0.34 -0.18 -0.51 0.00 0.00 0.00 175.76 174.62 2qyh s LEU 147 N -2.98 1.86 -0.26 0.00 1.43 -0.39 -0.45 118.68 117.90 2qyh s LEU 147 Ca 0.11 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2qyh s LEU 147 Cb 0.07 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2qyh s LEU 147 CO -0.07 0.04 0.10 -0.22 0.23 0.00 0.00 176.35 176.43 2qyh s LEU 148 N 0.95 3.60 -0.78 1.79 2.96 -0.31 -1.45 118.68 125.44 2qyh s LEU 148 Ca -0.06 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 2qyh s LEU 148 Cb -0.15 -1.98 0.18 0.00 0.50 0.00 0.00 46.19 44.75 2qyh s LEU 148 CO -0.02 -0.04 0.77 -0.36 -1.32 0.00 0.00 176.35 175.38 2qyh s PHE 149 N 1.66 3.53 0.19 5.38 0.40 -0.77 -1.20 117.98 127.16 2qyh s PHE 149 Ca 0.07 -1.72 -0.18 0.00 -0.60 0.00 0.00 56.93 54.50 2qyh s PHE 149 Cb -0.15 -3.90 0.03 0.00 0.51 0.00 0.00 43.02 39.51 2qyh s PHE 149 CO 0.06 -1.09 0.51 0.00 0.70 0.00 0.00 175.22 175.40 2qyh s ARG 151 N -3.86 3.37 0.24 0.00 0.52 -1.26 -3.62 118.95 114.34 2qyh s ARG 151 Ca 0.08 0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.76 2qyh s ARG 151 Cb -0.01 -2.14 0.33 0.00 0.52 0.00 0.00 34.95 33.66 2qyh s ARG 151 CO -0.04 -0.61 1.83 0.00 0.02 0.00 0.00 175.30 176.50 2qyh h ALA 152 N -0.28 1.13 0.00 2.13 0.00 -1.92 -0.56 119.26 119.76 2qyh h ALA 152 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qyh h ALA 152 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qyh h ALA 152 CO 0.62 0.20 0.00 0.39 0.00 0.00 0.00 179.25 180.46 2qyh n GLU 153 N -4.68 0.03 -0.00 0.00 4.71 -1.26 -2.04 120.64 117.40 2qyh n GLU 153 Ca 0.12 0.22 0.03 0.00 -0.01 0.00 0.00 57.16 57.52 2qyh n GLU 153 Cb 0.20 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.09 2qyh n GLU 153 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2qyh n GLU 154 N -1.23 3.10 0.24 3.49 1.02 -0.23 -4.72 120.64 122.31 2qyh n GLU 154 Ca 0.01 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2qyh n GLU 154 Cb 0.01 -0.93 0.62 0.00 -0.02 0.00 0.00 31.44 31.12 2qyh n GLU 154 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2qyh h GLU 155 N 0.00 0.00 -0.52 3.49 4.11 -1.31 -3.36 114.58 116.99 2qyh h GLU 155 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 2qyh h GLU 155 Cb 0.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2qyh h GLU 155 CO 0.00 0.17 -0.31 0.39 0.07 0.00 0.00 179.01 179.33 2qyh n GLU 156 N -3.62 -0.23 -0.28 1.06 1.02 -1.26 -0.37 120.64 116.96 2qyh n GLU 156 Ca -0.01 0.89 0.01 0.00 -0.02 0.00 0.00 57.16 58.03 2qyh n GLU 156 Cb 0.30 -1.32 0.13 0.00 -0.02 0.00 0.00 31.44 30.54 2qyh n GLU 156 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qyh h PRO 157 N 0.00 0.81 0.17 3.49 0.11 -1.97 0.13 132.00 134.74 2qyh h PRO 157 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2qyh h PRO 157 Cb 0.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2qyh h PRO 157 CO -0.49 0.54 -0.08 1.88 -0.21 0.00 0.00 178.00 179.63 2qyh h TYR 158 N 0.83 -0.21 -0.02 0.65 0.05 -0.95 0.31 116.97 117.63 2qyh h TYR 158 Ca 0.36 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.16 2qyh h TYR 158 Cb 0.23 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 2qyh h TYR 158 CO -0.05 -0.10 -0.20 0.28 -1.05 0.00 0.00 178.16 177.03 2qyh h VAL 159 N -0.26 0.51 -0.61 -2.88 2.07 -0.81 -1.29 116.25 112.99 2qyh h VAL 159 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2qyh h VAL 159 Cb 0.20 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2qyh h VAL 159 CO 0.04 0.00 0.30 -0.09 0.02 0.00 0.00 177.57 177.84 2qyh h ARG 160 N -0.32 0.54 -0.00 1.57 2.43 -0.73 -2.93 114.38 114.94 2qyh h ARG 160 Ca 0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2qyh h ARG 160 Cb 0.40 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2qyh h ARG 160 CO -0.20 0.36 -0.17 0.09 -1.51 0.00 0.00 179.97 178.54 2qyh n ASN 161 N -4.87 0.26 -3.27 -3.80 3.02 0.11 -4.36 115.26 102.34 2qyh n ASN 161 Ca 0.08 -0.03 -0.25 0.00 -0.03 0.00 0.00 54.58 54.35 2qyh n ASN 161 Cb 0.20 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 2qyh n ASN 161 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2qyh n TYR 162 N -1.34 1.22 0.27 3.10 4.01 -0.51 -4.91 117.16 119.00 2qyh n TYR 162 Ca 0.09 -3.80 0.12 0.00 -0.16 0.00 0.00 57.90 54.15 2qyh n TYR 162 Cb 0.32 -0.43 0.77 0.00 -0.31 0.00 0.00 39.34 39.68 2qyh n TYR 162 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qyh h PRO 163 N 4.01 0.00 0.00 -0.72 0.13 -1.76 -0.28 132.00 133.38 2qyh h PRO 163 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qyh h PRO 163 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2qyh h PRO 163 CO 0.61 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 2qyh n GLU 164 N -3.90 0.69 -4.45 0.86 0.00 -1.26 -4.74 120.64 107.84 2qyh n GLU 164 Ca -0.02 0.01 -0.24 0.00 0.00 0.00 0.00 57.16 56.90 2qyh n GLU 164 Cb 0.16 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.01 2qyh n GLU 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2qyh s PHE 165 N -2.06 2.39 -0.02 -1.84 0.08 -0.12 -2.18 117.98 114.23 2qyh s PHE 165 Ca 0.34 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.07 2qyh s PHE 165 Cb 0.16 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 2qyh s PHE 165 CO 0.28 0.66 -0.15 1.03 -0.10 0.00 0.00 175.22 176.94 2qyh s ARG 166 N -3.57 1.31 -0.18 0.44 1.81 0.11 -4.76 118.95 114.11 2qyh s ARG 166 Ca 0.31 -0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 53.78 2qyh s ARG 166 Cb -0.03 -1.23 -0.00 0.00 -0.45 0.00 0.00 34.95 33.24 2qyh s ARG 166 CO 0.16 0.28 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.89 2qyh s PHE 167 N -0.20 2.85 -0.29 -0.53 0.40 -1.26 -0.48 117.98 118.47 2qyh s PHE 167 Ca 0.03 -1.05 0.01 0.00 -0.60 0.00 0.00 56.93 55.32 2qyh s PHE 167 Cb -0.07 -1.97 0.08 0.00 0.51 0.00 0.00 43.02 41.57 2qyh s PHE 167 CO 0.00 -0.52 0.02 0.08 0.70 0.00 0.00 175.22 175.50 2qyh s VAL 168 N 1.08 1.59 0.26 -0.44 1.01 -0.83 -4.96 120.40 118.11 2qyh s VAL 168 Ca -0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 2qyh s VAL 168 Cb -0.15 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 2qyh s VAL 168 CO -0.03 -0.40 1.30 -0.60 0.00 0.00 0.00 175.10 175.37 2qyh s ARG 169 N 1.30 4.39 0.00 2.72 3.52 -1.26 -1.33 118.95 128.29 2qyh s ARG 169 Ca 0.03 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 2qyh s ARG 169 Cb -0.18 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 2qyh s ARG 169 CO -0.12 -0.20 0.34 -2.67 -0.81 0.00 0.00 175.30 171.84 2qyh n TRP 170 N 1.77 0.00 -3.47 5.12 4.27 -1.10 -4.92 117.44 119.10 2qyh n TRP 170 Ca 0.03 -0.02 -0.14 0.00 -3.89 0.00 0.00 57.50 53.48 2qyh n TRP 170 Cb 0.42 -0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.33 2qyh n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2qyh s HIS 171 N -0.05 -0.56 0.29 -2.67 5.04 -0.94 -5.00 115.29 111.41 2qyh s HIS 171 Ca 0.00 0.65 0.04 0.00 -1.54 0.00 0.00 55.06 54.21 2qyh s HIS 171 Cb 0.00 0.49 0.71 0.00 0.04 0.00 0.00 32.58 33.83 2qyh s HIS 171 CO 0.00 -0.70 1.75 -0.44 -2.34 0.00 0.00 174.74 173.01 2qyh h ASP 172 N 2.42 0.63 -0.19 9.88 3.45 -1.98 -2.69 116.42 127.94 2qyh h ASP 172 Ca -0.29 0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.21 2qyh h ASP 172 Cb 1.23 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.97 2qyh h ASP 172 CO 0.37 0.18 -0.14 1.33 -1.57 0.00 0.00 179.24 179.42 2qyh n VAL 173 N -4.86 2.29 -3.65 -1.35 0.24 -1.26 -4.20 118.33 105.54 2qyh n VAL 173 Ca 0.22 -2.59 -0.14 0.00 -2.04 0.00 0.00 64.34 59.79 2qyh n VAL 173 Cb 0.58 -0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 2qyh n VAL 173 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qyh s SER 174 N -2.64 -0.60 -0.00 -1.34 0.15 -1.01 -2.46 113.70 105.80 2qyh s SER 174 Ca 0.40 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 58.07 2qyh s SER 174 Cb 0.36 1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 65.70 2qyh s SER 174 CO 0.01 -0.30 0.03 0.28 1.20 0.00 0.00 173.24 174.46 2qyh s THR 175 N -0.08 0.06 0.19 6.45 -1.32 -0.34 -2.21 115.64 118.39 2qyh s THR 175 Ca -0.03 -0.46 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 2qyh s THR 175 Cb -0.04 -0.21 -0.08 0.00 -1.51 0.00 0.00 72.50 70.67 2qyh s THR 175 CO 0.03 -0.25 0.98 -1.81 -2.21 0.00 0.00 174.62 171.35 2qyh s ASP 176 N -0.77 7.53 -0.42 8.08 1.01 -0.44 -1.16 116.67 130.49 2qyh s ASP 176 Ca -0.09 1.93 -0.08 0.00 0.71 0.00 0.00 52.55 55.02 2qyh s ASP 176 Cb -0.05 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.36 2qyh s ASP 176 CO -0.00 0.02 0.25 -0.69 0.21 0.00 0.00 175.17 174.96 2qyh s VAL 177 N -0.66 4.10 0.26 -1.27 1.01 0.40 -1.96 120.40 122.28 2qyh s VAL 177 Ca 0.44 -1.49 0.09 0.00 0.00 0.00 0.00 61.98 61.02 2qyh s VAL 177 Cb -0.26 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2qyh s VAL 177 CO 0.32 -0.53 0.06 -0.76 0.00 0.00 0.00 175.10 174.19 2qyh s LEU 178 N 1.39 3.38 0.41 3.92 1.43 0.37 -2.66 118.68 126.91 2qyh s LEU 178 Ca 0.03 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 2qyh s LEU 178 Cb -0.23 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 2qyh s LEU 178 CO 0.01 -0.02 1.02 -2.16 0.23 0.00 0.00 176.35 175.43 2qyh s PRO 179 N -3.73 4.16 0.09 1.29 0.04 -1.26 0.06 135.00 135.65 2qyh s PRO 179 Ca 0.32 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 2qyh s PRO 179 Cb -0.07 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 2qyh s PRO 179 CO 0.21 -0.13 1.45 0.00 0.04 0.00 0.00 177.00 178.58 2qyh h ALA 180 N 2.30 0.41 -2.14 8.56 0.00 -1.74 -3.43 119.26 123.23 2qyh h ALA 180 Ca -0.48 -0.34 -0.45 0.00 0.00 0.00 0.00 54.91 53.63 2qyh h ALA 180 Cb 1.21 -0.10 0.14 0.00 0.00 0.00 0.00 17.79 19.04 2qyh h ALA 180 CO 0.62 0.32 0.40 0.20 0.00 0.00 0.00 179.25 180.78 2qyh s GLY 181 N -3.50 1.73 0.00 0.00 0.00 -1.26 -4.99 107.32 99.30 2qyh s GLY 181 Ca -0.13 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2qyh s GLY 181 CO 0.80 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.10 2qyh n GLY 182 N -3.58 -1.14 3.58 0.20 0.00 -1.26 -5.00 105.19 97.98 2qyh n GLY 182 Ca 0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 2qyh n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qyh s SER 183 N -2.57 -0.22 0.25 1.61 1.04 -0.91 -4.99 113.70 107.91 2qyh s SER 183 Ca 0.00 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 2qyh s SER 183 Cb 0.00 0.27 0.31 0.00 0.10 0.00 0.00 66.02 66.70 2qyh s SER 183 CO 0.00 -0.46 1.69 0.11 0.98 0.00 0.00 173.24 175.56 2qyh h LYS 184 N 2.00 0.65 -0.78 4.02 1.57 -1.91 -2.08 116.57 120.03 2qyh h LYS 184 Ca -0.18 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 2qyh h LYS 184 Cb 1.21 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 2qyh h LYS 184 CO 0.27 0.81 0.43 0.00 -0.57 0.00 0.00 179.45 180.38 2qyh h ALA 185 N 1.21 1.28 0.00 3.86 0.00 -1.90 0.48 119.26 124.18 2qyh h ALA 185 Ca 0.09 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2qyh h ALA 185 Cb 0.66 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qyh h ALA 185 CO 0.05 0.59 -0.49 1.49 0.00 0.00 0.00 179.25 180.89 2qyh h GLU 186 N 1.09 0.00 -0.04 0.00 4.57 -1.87 0.32 114.58 118.65 2qyh h GLU 186 Ca 0.28 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.30 2qyh h GLU 186 Cb 0.03 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2qyh h GLU 186 CO -0.04 0.49 -0.58 0.78 -1.18 0.00 0.00 179.01 178.47 2qyh h GLY 187 N 1.65 0.53 0.94 1.92 0.00 -0.43 -3.24 103.07 104.43 2qyh h GLY 187 Ca -0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 2qyh h GLY 187 CO 0.06 0.74 0.10 -2.22 0.00 0.00 0.00 176.54 175.22 2qyh h ILE 188 N 0.02 1.23 -0.00 2.60 2.04 0.08 -3.44 117.51 120.05 2qyh h ILE 188 Ca -0.06 -0.78 -0.39 0.00 1.00 0.00 0.00 64.86 64.62 2qyh h ILE 188 Cb 1.26 0.98 0.10 0.00 -0.74 0.00 0.00 36.82 38.42 2qyh h ILE 188 CO 0.12 0.27 1.07 -1.14 0.00 0.00 0.00 178.15 178.46 2qyh n ARG 189 N -4.56 0.00 0.00 2.37 0.63 0.11 -4.58 116.66 110.63 2qyh n ARG 189 Ca -0.00 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.19 2qyh n ARG 189 Cb 0.20 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.00 2qyh n ARG 189 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2qyh n ILE 192 N 6.07 0.00 -0.00 5.15 -5.35 -1.26 -4.73 119.36 119.24 2qyh n ILE 192 Ca 0.33 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.68 2qyh n ILE 192 Cb 0.38 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.19 2qyh n ILE 192 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2qyh h GLU 193 N 0.18 0.05 0.00 6.28 4.81 -1.81 0.46 114.58 124.56 2qyh h GLU 193 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2qyh h GLU 193 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2qyh h GLU 193 CO 0.00 0.34 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.34 2qyh h LYS 194 N -0.24 0.00 0.00 1.92 1.63 -1.94 -1.23 116.57 116.70 2qyh h LYS 194 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2qyh h LYS 194 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2qyh h LYS 194 CO 0.00 0.06 -0.68 -0.11 -3.45 0.00 0.00 179.45 175.28 2qyh n LEU 195 N -4.01 0.64 -0.47 5.20 7.94 -1.01 -4.94 117.00 120.35 2qyh n LEU 195 Ca -0.03 -0.12 -0.06 0.00 -1.11 0.00 0.00 56.01 54.69 2qyh n LEU 195 Cb 0.15 -0.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.90 2qyh n LEU 195 CO 0.31 0.14 -0.06 0.61 -1.11 0.00 0.00 177.39 177.28 2qyh n GLY 196 N 1.48 0.83 3.88 -3.96 0.00 0.11 -5.01 105.19 102.53 2qyh n GLY 196 Ca 0.05 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 2qyh n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qyh s ILE 197 N -2.14 4.93 -0.12 -0.61 1.01 0.12 -4.90 121.20 119.49 2qyh s ILE 197 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 2qyh s ILE 197 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2qyh s ILE 197 CO 0.00 -0.24 0.08 -0.62 0.00 0.00 0.00 174.94 174.16 2qyh s ASP 198 N -2.77 5.84 0.22 3.58 -1.08 -1.26 -4.42 116.67 116.78 2qyh s ASP 198 Ca 0.47 0.28 0.00 0.00 -0.52 0.00 0.00 52.55 52.78 2qyh s ASP 198 Cb -0.11 -1.84 0.51 0.00 -1.46 0.00 0.00 42.92 40.02 2qyh s ASP 198 CO 0.26 0.35 1.10 1.17 0.52 0.00 0.00 175.17 178.57 2qyh n LYS 199 N 2.36 -0.06 0.31 4.34 4.81 -1.26 0.12 118.16 128.78 2qyh n LYS 199 Ca -0.19 1.06 0.18 0.00 -0.87 0.00 0.00 58.31 58.50 2qyh n LYS 199 Cb 0.54 -1.67 0.99 0.00 0.02 0.00 0.00 35.03 34.91 2qyh n LYS 199 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2qyh h LYS 200 N 0.00 0.00 -0.64 1.64 2.10 -1.94 -1.94 116.57 115.78 2qyh h LYS 200 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2qyh h LYS 200 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2qyh h LYS 200 CO -0.67 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 176.55 2qyh n ASP 201 N -3.36 4.75 -4.56 7.07 10.43 0.32 -4.63 116.55 126.58 2qyh n ASP 201 Ca -0.02 -2.63 -0.34 0.00 2.57 0.00 0.00 54.79 54.37 2qyh n ASP 201 Cb 0.14 -0.61 -0.12 0.00 1.84 0.00 0.00 41.12 42.37 2qyh n ASP 201 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2qyh s VAL 202 N -2.23 3.75 0.21 2.53 1.01 -0.78 -2.13 120.40 122.76 2qyh s VAL 202 Ca 0.46 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 62.11 2qyh s VAL 202 Cb 0.33 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2qyh s VAL 202 CO 0.17 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.31 2qyh s TYR 203 N -0.46 2.20 -0.16 5.22 2.02 -0.16 -1.81 117.35 124.21 2qyh s TYR 203 Ca 0.07 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 2qyh s TYR 203 Cb -0.12 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2qyh s TYR 203 CO 0.02 0.51 0.42 0.00 -1.57 0.00 0.00 175.55 174.93 2qyh s ALA 204 N -1.92 -1.05 -0.10 3.71 0.00 -0.79 -0.55 121.76 121.06 2qyh s ALA 204 Ca 0.22 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.40 2qyh s ALA 204 Cb -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2qyh s ALA 204 CO 0.10 -0.20 -0.19 -0.06 0.00 0.00 0.00 175.76 175.41 2qyh s PHE 205 N 0.24 2.66 0.22 0.00 0.08 -0.26 0.59 117.98 121.51 2qyh s PHE 205 Ca -0.00 -0.74 -0.08 0.00 0.12 0.00 0.00 56.93 56.23 2qyh s PHE 205 Cb -0.03 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2qyh s PHE 205 CO 0.00 -0.24 0.31 0.20 -0.10 0.00 0.00 175.22 175.39 2qyh s GLY 206 N 0.17 0.90 0.00 4.36 0.00 -0.90 -2.15 107.32 109.70 2qyh s GLY 206 Ca -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2qyh s GLY 206 CO 0.06 -0.97 0.00 1.34 0.00 0.00 0.00 173.10 173.53 2qyh n ASP 207 N -0.32 1.55 -4.77 1.64 2.03 -1.26 -4.49 116.55 110.93 2qyh n ASP 207 Ca -0.01 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.07 2qyh n ASP 207 Cb 0.64 0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 41.19 2qyh n ASP 207 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2qyh s GLY 208 N -1.23 2.09 0.42 0.27 0.00 -1.26 -3.69 107.32 103.91 2qyh s GLY 208 Ca 0.00 -1.91 0.23 0.00 0.00 0.00 0.00 44.72 43.03 2qyh s GLY 208 CO 0.00 -1.78 1.74 1.41 0.00 0.00 0.00 173.10 174.46 2qyh h LEU 209 N 1.39 0.36 -1.21 0.66 4.07 -1.98 0.54 115.31 119.14 2qyh h LEU 209 Ca -0.43 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2qyh h LEU 209 Cb 1.26 0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.04 2qyh h LEU 209 CO 0.64 0.01 0.00 -1.13 -1.08 0.00 0.00 178.44 176.88 2qyh h ASN 210 N 0.28 0.00 0.28 -0.43 -1.24 -2.03 -2.48 115.58 109.97 2qyh h ASN 210 Ca 0.65 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.66 2qyh h ASN 210 Cb 1.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.89 2qyh h ASN 210 CO -0.31 0.00 -0.42 0.47 -1.29 0.00 0.00 177.43 175.89 2qyh n ASP 211 N -2.39 0.94 0.06 1.15 8.00 0.19 -4.41 116.55 120.09 2qyh n ASP 211 Ca 0.00 -0.74 -0.11 0.00 0.71 0.00 0.00 54.79 54.65 2qyh n ASP 211 Cb 0.15 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 2qyh n ASP 211 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2qyh h ILE 212 N 0.82 0.41 0.00 0.53 2.04 -1.52 0.21 117.51 120.01 2qyh h ILE 212 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2qyh h ILE 212 Cb 0.53 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2qyh h ILE 212 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.31 2qyh n GLU 213 N -5.37 0.00 0.00 2.37 0.28 -1.26 -1.05 120.64 115.61 2qyh n GLU 213 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2qyh n GLU 213 Cb 0.29 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.26 2qyh n GLU 213 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2qyh n LEU 215 N -0.06 0.00 0.05 -1.84 4.32 0.06 -1.72 117.00 117.81 2qyh n LEU 215 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 2qyh n LEU 215 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 2qyh n LEU 215 CO 0.00 0.00 0.06 -1.28 -1.22 0.00 0.00 177.39 174.95 2qyh h SER 216 N 0.00 0.91 -0.03 -1.43 0.87 -1.32 -3.33 113.55 109.22 2qyh h SER 216 Ca 0.00 -0.74 -0.26 0.00 -1.23 0.00 0.00 61.79 59.57 2qyh h SER 216 Cb 0.00 -0.28 0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2qyh h SER 216 CO 0.00 1.54 -0.98 0.15 -0.53 0.00 0.00 176.83 177.01 2qyh h PHE 217 N 0.38 1.05 -4.23 2.24 3.04 -1.58 -3.46 116.94 114.38 2qyh h PHE 217 Ca -0.14 -0.55 -0.51 0.00 3.98 0.00 0.00 57.97 60.76 2qyh h PHE 217 Cb 1.72 -0.13 0.15 0.00 2.56 0.00 0.00 35.95 40.25 2qyh h PHE 217 CO 0.10 1.39 0.28 0.14 -2.02 0.00 0.00 178.31 178.20 2qyh s VAL 218 N -3.41 2.96 0.36 1.41 -7.23 -1.26 -4.92 120.40 108.30 2qyh s VAL 218 Ca -0.10 0.31 0.17 0.00 -1.81 0.00 0.00 61.98 60.55 2qyh s VAL 218 Cb 0.07 -2.71 0.15 0.00 0.56 0.00 0.00 36.38 34.45 2qyh s VAL 218 CO 0.92 -0.41 1.89 1.23 -0.31 0.00 0.00 175.10 178.42 2qyh h GLY 219 N -1.37 0.00 -6.70 2.32 0.00 -1.16 -3.39 103.07 92.77 2qyh h GLY 219 Ca -0.45 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.37 2qyh h GLY 219 CO 0.50 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.69 2qyh s THR 220 N -4.16 -0.09 -0.12 4.70 2.01 -0.75 -5.00 115.64 112.22 2qyh s THR 220 Ca -0.03 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 2qyh s THR 220 Cb 0.14 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2qyh s THR 220 CO 0.68 -0.73 0.40 -0.83 -0.69 0.00 0.00 174.62 173.45 2qyh s GLY 221 N 1.95 2.33 -0.14 4.40 0.00 -1.25 -1.88 107.32 112.72 2qyh s GLY 221 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.54 2qyh s GLY 221 CO -0.29 0.59 -0.14 0.14 0.00 0.00 0.00 173.10 173.40 2qyh s VAL 222 N 0.41 2.88 0.00 1.40 1.01 0.20 -0.45 120.40 125.85 2qyh s VAL 222 Ca 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2qyh s VAL 222 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.02 2qyh s VAL 222 CO 0.08 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.70 2qyh n ALA 223 N 3.80 0.00 -0.06 5.51 0.00 -0.26 -2.11 120.51 127.38 2qyh n ALA 223 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2qyh n ALA 223 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 2qyh n ALA 223 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qyh h GLY 225 N 0.00 -0.00 -2.81 0.00 0.00 -0.55 -0.98 103.07 98.73 2qyh h GLY 225 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2qyh h GLY 225 CO 0.00 -0.00 0.04 0.70 0.00 0.00 0.00 176.54 177.28 2qyh n ASN 226 N -4.65 4.84 -4.61 0.19 3.02 -1.26 -4.82 115.26 107.96 2qyh n ASN 226 Ca -0.08 -3.04 -0.31 0.00 -0.03 0.00 0.00 54.58 51.12 2qyh n ASN 226 Cb 0.40 -0.64 0.19 0.00 -0.61 0.00 0.00 39.78 39.11 2qyh n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qyh n ALA 227 N 0.03 -1.40 -1.72 5.41 0.00 -1.26 -4.91 120.51 116.66 2qyh n ALA 227 Ca 0.28 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 2qyh n ALA 227 Cb 1.11 -2.13 0.04 0.00 0.00 0.00 0.00 19.45 18.47 2qyh n ALA 227 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2qyh n HIS 228 N -4.40 2.09 -0.28 0.00 -0.00 -1.24 -4.79 115.22 106.60 2qyh n HIS 228 Ca 0.10 0.45 0.14 0.00 0.46 0.00 0.00 57.72 58.86 2qyh n HIS 228 Cb 0.53 -2.34 0.39 0.00 -0.12 0.00 0.00 29.99 28.45 2qyh n HIS 228 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2qyh h GLU 229 N 1.51 0.63 0.00 1.57 4.39 -1.97 0.15 114.58 120.86 2qyh h GLU 229 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2qyh h GLU 229 Cb 1.31 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2qyh h GLU 229 CO 0.57 0.42 0.00 0.39 -1.16 0.00 0.00 179.01 179.23 2qyh n GLU 230 N -4.59 0.11 0.05 2.33 -0.58 -1.26 -1.69 120.64 115.02 2qyh n GLU 230 Ca 0.19 0.26 -0.22 0.00 -0.42 0.00 0.00 57.16 56.97 2qyh n GLU 230 Cb 0.54 -1.68 -0.15 0.00 -0.57 0.00 0.00 31.44 29.58 2qyh n GLU 230 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2qyh h VAL 231 N 0.00 1.03 -0.39 2.62 2.07 -1.05 -3.31 116.25 117.22 2qyh h VAL 231 Ca 0.00 -2.48 -0.09 0.00 0.82 0.00 0.00 66.70 64.96 2qyh h VAL 231 Cb 0.42 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2qyh h VAL 231 CO 0.00 0.79 -0.11 0.11 0.02 0.00 0.00 177.57 178.38 2qyh h LYS 232 N -0.09 0.69 -0.80 1.57 1.57 -1.23 -2.99 116.57 115.29 2qyh h LYS 232 Ca -0.31 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 58.33 2qyh h LYS 232 Cb 1.94 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 34.12 2qyh h LYS 232 CO 0.14 0.78 0.46 -0.09 -0.57 0.00 0.00 179.45 180.16 2qyh h ARG 233 N 0.63 0.78 -0.01 3.15 2.43 -1.42 -1.62 114.38 118.31 2qyh h ARG 233 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qyh h ARG 233 Cb 0.55 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2qyh h ARG 233 CO 0.03 0.52 -0.09 1.33 -1.51 0.00 0.00 179.97 180.25 2qyh n VAL 234 N -4.73 0.00 -2.96 0.20 0.24 -1.16 -4.91 118.33 105.01 2qyh n VAL 234 Ca 0.12 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 2qyh n VAL 234 Cb 0.23 0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 2qyh n VAL 234 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qyh s ALA 235 N -2.26 3.21 -1.18 2.33 0.00 -0.61 -4.49 121.76 118.76 2qyh s ALA 235 Ca 0.34 0.27 0.27 0.00 0.00 0.00 0.00 51.96 52.84 2qyh s ALA 235 Cb 0.20 -2.98 0.95 0.00 0.00 0.00 0.00 23.12 21.29 2qyh s ALA 235 CO 0.42 0.23 1.71 -0.25 0.00 0.00 0.00 175.76 177.88 2qyh n ASP 236 N -0.16 0.33 -3.64 0.00 8.00 0.41 -4.86 116.55 116.64 2qyh n ASP 236 Ca 0.04 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 2qyh n ASP 236 Cb 0.53 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 2qyh n ASP 236 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2qyh s PHE 237 N -2.86 -0.52 -0.23 1.24 2.19 -1.08 -4.97 117.98 111.76 2qyh s PHE 237 Ca 0.17 1.26 -0.03 0.00 0.33 0.00 0.00 56.93 58.66 2qyh s PHE 237 Cb 0.19 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 42.25 2qyh s PHE 237 CO 0.58 -0.25 -0.04 0.08 1.83 0.00 0.00 175.22 177.42 2qyh s VAL 238 N 0.24 3.27 0.39 3.12 1.01 -1.26 -1.11 120.40 126.06 2qyh s VAL 238 Ca 0.03 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2qyh s VAL 238 Cb -0.05 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.86 2qyh s VAL 238 CO -0.05 0.35 0.54 1.07 0.00 0.00 0.00 175.10 177.01 2qyh n THR 239 N 4.77 0.00 -1.38 3.92 5.66 -0.37 -4.95 114.28 121.93 2qyh n THR 239 Ca -0.18 -1.29 -0.29 0.00 -3.05 0.00 0.00 64.05 59.25 2qyh n THR 239 Cb 0.50 -0.68 0.16 0.00 -1.55 0.00 0.00 70.33 68.75 2qyh n THR 239 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2qyh s LYS 240 N -3.77 0.76 0.74 1.09 1.02 -1.26 -1.35 119.74 116.98 2qyh s LYS 240 Ca 0.41 0.35 -0.12 0.00 0.02 0.00 0.00 55.97 56.63 2qyh s LYS 240 Cb -0.03 -1.79 0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2qyh s LYS 240 CO 0.26 -2.47 1.11 -2.14 -0.92 0.00 0.00 175.35 171.19 2qyh s PRO 241 N -5.16 2.34 0.58 -1.68 0.02 -1.26 -1.97 135.00 127.87 2qyh s PRO 241 Ca 0.65 1.31 0.27 0.00 0.02 0.00 0.00 61.00 63.25 2qyh s PRO 241 Cb -0.16 -1.90 1.60 0.00 0.02 0.00 0.00 34.50 34.06 2qyh s PRO 241 CO 0.55 -1.59 2.09 -0.24 -0.33 0.00 0.00 177.00 177.48 2qyh h VAL 242 N -0.74 0.55 0.00 3.83 3.04 -1.89 0.26 116.25 121.29 2qyh h VAL 242 Ca -0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 2qyh h VAL 242 Cb 1.24 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2qyh h VAL 242 CO 0.51 0.00 -0.13 -0.78 -1.01 0.00 0.00 177.57 176.16 2qyh h ASP 243 N 0.00 0.00 -1.10 3.17 3.58 -1.90 -3.28 116.42 116.89 2qyh h ASP 243 Ca 0.10 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.01 2qyh h ASP 243 Cb 0.51 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.13 2qyh h ASP 243 CO -0.00 0.13 -0.82 0.29 -2.88 0.00 0.00 179.24 175.96 2qyh n LYS 244 N -3.42 3.27 -2.41 0.28 5.02 0.83 -4.93 118.16 116.80 2qyh n LYS 244 Ca -0.01 -4.23 -0.17 0.00 -2.02 0.00 0.00 58.31 51.88 2qyh n LYS 244 Cb 0.31 -2.16 -0.00 0.00 -0.02 0.00 0.00 35.03 33.16 2qyh n LYS 244 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qyh n GLU 245 N -0.56 -1.75 -0.31 1.97 1.02 -1.23 -4.74 120.64 115.03 2qyh n GLU 245 Ca 0.37 0.81 0.09 0.00 -0.02 0.00 0.00 57.16 58.41 2qyh n GLU 245 Cb 0.81 -5.26 0.25 0.00 -0.02 0.00 0.00 31.44 27.21 2qyh n GLU 245 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2qyh h GLY 246 N -0.17 1.48 0.90 0.62 0.00 -1.52 0.13 103.07 104.51 2qyh h GLY 246 Ca -0.41 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 2qyh h GLY 246 CO 0.47 -0.06 -0.07 -2.22 0.00 0.00 0.00 176.54 174.67 2qyh h ILE 247 N 0.64 1.28 0.40 2.60 1.08 -1.84 -0.08 117.51 121.59 2qyh h ILE 247 Ca 0.49 -1.10 -0.02 0.00 -0.39 0.00 0.00 64.86 63.85 2qyh h ILE 247 Cb 0.73 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2qyh h ILE 247 CO -0.38 0.35 -0.19 -0.25 -0.69 0.00 0.00 178.15 176.99 2qyh h TRP 248 N 0.36 -0.50 -0.57 1.37 2.91 -1.64 -1.22 115.95 116.67 2qyh h TRP 248 Ca 0.08 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.15 2qyh h TRP 248 Cb 0.55 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.31 2qyh h TRP 248 CO 0.05 -0.20 0.26 -0.92 -1.03 0.00 0.00 178.44 176.60 2qyh h TYR 249 N -0.76 0.47 -0.05 2.65 5.03 -0.82 -1.14 116.97 122.35 2qyh h TYR 249 Ca -0.06 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.29 2qyh h TYR 249 Cb 0.52 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 2qyh h TYR 249 CO -0.00 0.19 -0.02 0.78 -1.32 0.00 0.00 178.16 177.79 2qyh h GLY 250 N 0.49 0.03 2.00 1.82 0.00 -0.94 -0.93 103.07 105.54 2qyh h GLY 250 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 2qyh h GLY 250 CO -0.22 -0.02 -0.11 1.41 0.00 0.00 0.00 176.54 177.60 2qyh h LEU 251 N -0.01 0.00 0.28 3.11 3.38 -0.85 -1.43 115.31 119.79 2qyh h LEU 251 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qyh h LEU 251 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qyh h LEU 251 CO -0.05 0.11 -0.14 0.50 0.09 0.00 0.00 178.44 178.95 2qyh h LYS 252 N 0.00 -0.37 -0.72 1.13 3.64 -0.54 0.09 116.57 119.80 2qyh h LYS 252 Ca -0.00 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 2qyh h LYS 252 Cb 0.21 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 2qyh h LYS 252 CO 0.01 -0.03 0.48 1.96 -2.27 0.00 0.00 179.45 179.61 2qyh h GLN 253 N -0.90 0.44 -0.00 1.90 1.08 -0.98 0.62 115.11 117.26 2qyh h GLN 253 Ca -0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2qyh h GLN 253 Cb 0.51 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2qyh h GLN 253 CO 0.06 0.29 -0.00 1.28 -0.95 0.00 0.00 178.83 179.51 2qyh n LEU 254 N -4.48 0.07 -2.30 1.46 4.77 -0.56 -4.89 117.00 111.08 2qyh n LEU 254 Ca 0.13 0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.93 2qyh n LEU 254 Cb 0.47 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2qyh n LEU 254 CO 0.33 0.01 -0.24 0.00 -1.33 0.00 0.00 177.39 176.16 2qyh n GLN 255 N -0.99 -1.77 0.04 3.23 6.02 0.22 -4.88 117.38 119.25 2qyh n GLN 255 Ca 0.22 0.96 -0.05 0.00 -0.01 0.00 0.00 57.00 58.12 2qyh n GLN 255 Cb 0.14 -5.57 -0.10 0.00 1.02 0.00 0.00 30.24 25.73 2qyh n GLN 255 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2qyh h LEU 256 N -0.08 0.00 -0.40 1.08 3.38 -1.16 -3.49 115.31 114.63 2qyh h LEU 256 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2qyh h LEU 256 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2qyh h LEU 256 CO 0.56 0.88 0.00 2.30 0.09 0.00 0.00 178.44 182.27