#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 3.70 0.19 1.61 1.81 -1.26 -5.10 118.95 119.90 2qyh s ARG 3 Ca 0.00 0.38 0.10 0.00 -1.72 0.00 0.00 55.73 54.49 2qyh s ARG 3 Cb 0.00 -2.39 -0.04 0.00 -0.45 0.00 0.00 34.95 32.06 2qyh s ARG 3 CO 0.00 -0.08 -0.13 0.15 -0.68 0.00 0.00 175.30 174.56 2qyh s LYS 4 N -4.10 1.92 -0.02 3.54 1.02 -1.26 -4.68 119.74 116.16 2qyh s LYS 4 Ca 0.50 -1.34 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 2qyh s LYS 4 Cb -0.10 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2qyh s LYS 4 CO 0.35 0.42 0.12 -1.50 -0.92 0.00 0.00 175.35 173.83 2qyh s ILE 5 N -1.72 0.05 -0.08 2.17 2.07 -0.88 -0.96 121.20 121.86 2qyh s ILE 5 Ca 0.24 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 59.09 2qyh s ILE 5 Cb -0.08 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.20 2qyh s ILE 5 CO 0.14 -0.23 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.09 2qyh s VAL 6 N -0.76 1.45 -0.05 4.00 1.01 0.63 -1.00 120.40 125.68 2qyh s VAL 6 Ca -0.08 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2qyh s VAL 6 Cb -0.05 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2qyh s VAL 6 CO 0.01 0.43 0.06 -0.36 0.00 0.00 0.00 175.10 175.24 2qyh s PHE 7 N 0.65 3.29 -0.03 5.22 0.08 0.00 -1.20 117.98 125.98 2qyh s PHE 7 Ca -0.14 0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.18 2qyh s PHE 7 Cb -0.16 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2qyh s PHE 7 CO 0.04 0.55 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.55 2qyh s PHE 8 N -1.07 1.07 0.59 0.36 0.08 -0.03 -1.15 117.98 117.84 2qyh s PHE 8 Ca 0.18 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.88 2qyh s PHE 8 Cb -0.12 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 2qyh s PHE 8 CO 0.09 -0.12 0.92 0.34 -0.10 0.00 0.00 175.22 176.34 2qyh s ASP 9 N 0.22 5.69 0.00 1.36 2.15 -1.08 -1.17 116.67 123.84 2qyh s ASP 9 Ca -0.04 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.76 2qyh s ASP 9 Cb -0.10 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 2qyh s ASP 9 CO 0.01 -1.03 0.00 -0.38 -0.17 0.00 0.00 175.17 173.60 2qyh n ILE 10 N -2.60 0.00 -2.04 4.11 5.41 -1.26 -3.43 119.36 119.54 2qyh n ILE 10 Ca 0.04 0.17 -0.42 0.00 1.00 0.00 0.00 62.75 63.54 2qyh n ILE 10 Cb 0.57 -0.65 -0.03 0.00 -0.71 0.00 0.00 39.64 38.82 2qyh n ILE 10 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2qyh s ASP 11 N -1.74 6.70 0.00 4.38 1.01 -1.26 -0.36 116.67 125.40 2qyh s ASP 11 Ca 0.00 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.70 2qyh s ASP 11 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2qyh s ASP 11 CO 0.00 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.23 2qyh n GLY 12 N 3.69 2.64 0.71 0.21 0.00 0.66 -4.78 105.19 108.32 2qyh n GLY 12 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 1.22 -0.00 2.61 -1.04 -0.95 -4.60 114.28 109.53 2qyh n THR 13 Ca 0.00 0.25 -0.16 0.00 -2.04 0.00 0.00 64.05 62.10 2qyh n THR 13 Cb 0.00 -1.83 -0.14 0.00 -1.82 0.00 0.00 70.33 66.54 2qyh n THR 13 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qyh n LEU 14 N -3.79 1.91 -4.52 -4.42 4.77 0.52 -4.82 117.00 106.65 2qyh n LEU 14 Ca -0.07 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.88 2qyh n LEU 14 Cb 0.24 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 2qyh n LEU 14 CO 0.07 0.66 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.64 2qyh s LEU 15 N -6.66 3.09 0.00 2.23 1.43 -0.84 -4.16 118.68 113.77 2qyh s LEU 15 Ca -0.15 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2qyh s LEU 15 Cb 0.07 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2qyh s LEU 15 CO 0.80 0.29 0.00 -0.90 0.23 0.00 0.00 176.35 176.76 2qyh n ASP 16 N 2.73 -0.48 0.30 2.29 5.68 -0.06 -0.25 116.55 126.75 2qyh n ASP 16 Ca -0.18 -0.71 0.16 0.00 -0.50 0.00 0.00 54.79 53.56 2qyh n ASP 16 Cb 0.53 0.00 0.94 0.00 -1.14 0.00 0.00 41.12 41.44 2qyh n ASP 16 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2qyh h GLU 17 N 0.00 0.00 -0.63 0.11 4.81 -1.95 -0.90 114.58 116.03 2qyh h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qyh h GLU 17 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qyh h GLU 17 CO 0.00 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.33 2qyh n GLN 18 N -3.74 2.77 -1.92 1.92 3.00 -1.26 -4.90 117.38 113.24 2qyh n GLN 18 Ca -0.03 -2.31 -0.11 0.00 -0.01 0.00 0.00 57.00 54.54 2qyh n GLN 18 Cb 0.10 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 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 1.18 -0.82 -3.89 -1.09 4.01 -0.34 -5.00 118.16 112.20 2qyh n LYS 19 Ca 0.21 0.63 -0.36 0.00 -0.51 0.00 0.00 58.31 58.29 2qyh n LYS 19 Cb 0.62 -4.69 -0.06 0.00 -0.51 0.00 0.00 35.03 30.40 2qyh n LYS 19 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2qyh s GLN 20 N -4.03 3.44 -0.41 1.97 -1.52 -1.26 -4.78 119.66 113.08 2qyh s GLN 20 Ca 0.00 -0.20 -0.19 0.00 -1.95 0.00 0.00 55.36 53.02 2qyh s GLN 20 Cb 0.00 -3.16 0.01 0.00 -0.22 0.00 0.00 33.01 29.65 2qyh s GLN 20 CO 0.00 0.74 0.57 -1.17 -0.25 0.00 0.00 175.29 175.18 2qyh s LEU 21 N -1.36 4.51 0.37 2.90 2.96 -1.26 -0.88 118.68 125.91 2qyh s LEU 21 Ca 0.19 -0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 53.54 2qyh s LEU 21 Cb -0.12 -2.64 -0.11 0.00 0.50 0.00 0.00 46.19 43.82 2qyh s LEU 21 CO 0.09 -0.65 1.49 -2.84 -1.32 0.00 0.00 176.35 173.12 2qyh s PRO 22 N 2.58 4.12 0.26 0.98 0.02 -1.26 -4.90 135.00 136.79 2qyh s PRO 22 Ca 0.20 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.75 2qyh s PRO 22 Cb -0.15 -2.98 0.43 0.00 0.02 0.00 0.00 34.50 31.83 2qyh s PRO 22 CO 0.16 -0.53 1.83 -0.07 -0.33 0.00 0.00 177.00 178.06 2qyh h LEU 23 N 3.18 0.79 -1.48 -5.54 4.07 -1.98 -1.81 115.31 112.54 2qyh h LEU 23 Ca -0.50 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2qyh h LEU 23 Cb 1.24 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2qyh h LEU 23 CO 0.66 0.46 0.00 0.77 -1.08 0.00 0.00 178.44 179.24 2qyh h SER 24 N 0.90 0.00 0.49 -0.43 4.64 -1.99 -2.04 113.55 115.12 2qyh h SER 24 Ca 0.43 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.53 2qyh h SER 24 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2qyh h SER 24 CO -0.24 0.00 -0.94 0.74 -0.87 0.00 0.00 176.83 175.52 2qyh h THR 25 N 0.00 1.46 -0.59 2.95 2.02 -1.70 0.98 112.91 118.03 2qyh h THR 25 Ca 0.00 -2.60 -0.08 0.00 0.77 0.00 0.00 66.41 64.50 2qyh h THR 25 Cb 0.41 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2qyh h THR 25 CO 0.00 0.76 0.07 0.40 0.37 0.00 0.00 175.52 177.13 2qyh h ILE 26 N 0.16 1.26 -0.22 3.11 2.04 -1.28 -0.68 117.51 121.89 2qyh h ILE 26 Ca -0.07 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 2qyh h ILE 26 Cb 1.58 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2qyh h ILE 26 CO 0.15 0.38 0.01 -0.08 0.00 0.00 0.00 178.15 178.61 2qyh h GLU 27 N 0.89 0.38 -0.08 2.37 4.22 -1.33 -1.94 114.58 119.09 2qyh h GLU 27 Ca 0.18 -0.12 0.04 0.00 0.08 0.00 0.00 59.36 59.54 2qyh h GLU 27 Cb 0.45 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2qyh h GLU 27 CO 0.02 0.55 -0.44 0.00 -2.18 0.00 0.00 179.01 176.96 2qyh h ALA 28 N 0.81 -0.67 -0.82 2.92 0.00 -0.50 0.74 119.26 121.73 2qyh h ALA 28 Ca 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2qyh h ALA 28 Cb 0.37 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2qyh h ALA 28 CO 0.01 -0.97 0.52 0.28 0.00 0.00 0.00 179.25 179.09 2qyh h VAL 29 N -0.54 1.10 0.03 0.00 2.07 -1.12 -0.65 116.25 117.13 2qyh h VAL 29 Ca 0.06 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2qyh h VAL 29 Cb 0.65 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2qyh h VAL 29 CO -0.38 0.18 -0.11 -0.09 0.02 0.00 0.00 177.57 177.20 2qyh h ARG 30 N 0.99 -0.19 -0.67 1.57 2.43 -0.63 -1.48 114.38 116.40 2qyh h ARG 30 Ca 0.34 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 2qyh h ARG 30 Cb 0.06 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2qyh h ARG 30 CO -0.13 -0.13 0.42 0.00 -1.51 0.00 0.00 179.97 178.62 2qyh h ARG 31 N -0.20 0.79 0.02 0.20 2.47 -0.36 -1.46 114.38 115.84 2qyh h ARG 31 Ca 0.03 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2qyh h ARG 31 Cb 0.23 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2qyh h ARG 31 CO -0.09 0.52 -0.01 -0.07 0.56 0.00 0.00 179.97 180.88 2qyh h LEU 32 N 0.81 -0.03 -0.75 3.04 3.38 -0.82 -2.19 115.31 118.75 2qyh h LEU 32 Ca 0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.28 2qyh h LEU 32 Cb 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2qyh h LEU 32 CO -0.11 -0.02 0.47 0.11 0.09 0.00 0.00 178.44 178.98 2qyh h LYS 33 N -0.03 0.88 -0.83 1.13 1.57 -1.05 -1.33 116.57 116.91 2qyh h LYS 33 Ca -0.00 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2qyh h LYS 33 Cb 0.02 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.08 2qyh h LYS 33 CO 0.00 0.58 0.54 0.37 -0.57 0.00 0.00 179.45 180.38 2qyh h GLN 34 N 0.90 0.87 -0.00 3.15 4.15 -1.03 -1.11 115.11 122.04 2qyh h GLN 34 Ca 0.31 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2qyh h GLN 34 Cb 0.05 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.54 2qyh h GLN 34 CO -0.12 0.57 -0.01 0.43 -1.93 0.00 0.00 178.83 177.78 2qyh n SER 35 N -4.49 0.07 0.00 -0.69 7.64 -0.70 -4.89 113.62 110.56 2qyh n SER 35 Ca 0.13 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2qyh n SER 35 Cb 0.23 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2qyh n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qyh n GLY 36 N 1.10 0.63 3.73 0.23 0.00 -0.42 -5.03 105.19 105.43 2qyh n GLY 36 Ca 0.21 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 5.06 0.25 1.61 1.01 -0.59 -4.62 120.40 121.13 2qyh s VAL 37 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 2qyh s VAL 37 Cb 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2qyh s VAL 37 CO 0.00 0.31 1.12 -0.31 0.00 0.00 0.00 175.10 176.21 2qyh s TYR 38 N 0.55 3.55 -0.13 5.22 2.02 -0.13 -3.88 117.35 124.55 2qyh s TYR 38 Ca 0.33 1.64 0.03 0.00 -0.37 0.00 0.00 57.07 58.69 2qyh s TYR 38 Cb -0.17 -3.31 0.01 0.00 -0.40 0.00 0.00 41.96 38.09 2qyh s TYR 38 CO 0.15 -0.67 -0.22 0.08 -1.57 0.00 0.00 175.55 173.33 2qyh s VAL 39 N -0.82 2.01 0.04 0.71 1.01 -1.26 -0.27 120.40 121.81 2qyh s VAL 39 Ca 0.47 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2qyh s VAL 39 Cb -0.32 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2qyh s VAL 39 CO 0.39 0.54 0.12 0.00 0.00 0.00 0.00 175.10 176.15 2qyh s ALA 40 N 0.76 -0.14 -0.08 5.51 0.00 -0.34 -4.44 121.76 123.03 2qyh s ALA 40 Ca -0.09 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 2qyh s ALA 40 Cb -0.16 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2qyh s ALA 40 CO -0.00 -0.32 0.15 0.42 0.00 0.00 0.00 175.76 176.00 2qyh s ILE 41 N -2.53 5.43 -0.16 0.00 1.01 -1.10 -0.85 121.20 123.00 2qyh s ILE 41 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2qyh s ILE 41 Cb -0.01 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 39.06 2qyh s ILE 41 CO -0.04 0.51 -0.11 0.00 0.00 0.00 0.00 174.94 175.30 2qyh s ALA 42 N -1.13 1.74 0.20 9.38 0.00 -0.32 -0.36 121.76 131.27 2qyh s ALA 42 Ca 0.19 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2qyh s ALA 42 Cb -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.91 2qyh s ALA 42 CO 0.09 -0.55 0.43 -0.08 0.00 0.00 0.00 175.76 175.65 2qyh s THR 43 N 1.53 0.03 -1.25 0.00 -1.32 0.34 -4.20 115.64 110.77 2qyh s THR 43 Ca 0.03 -1.15 0.25 0.00 -1.21 0.00 0.00 61.69 59.61 2qyh s THR 43 Cb -0.14 -1.83 0.09 0.00 -1.51 0.00 0.00 72.50 69.11 2qyh s THR 43 CO -0.09 -0.16 1.45 0.61 -2.21 0.00 0.00 174.62 174.23 2qyh n GLY 44 N -0.31 -1.04 3.72 6.08 0.00 -1.26 -2.43 105.19 109.96 2qyh n GLY 44 Ca -0.07 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2qyh n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qyh s ARG 45 N -2.84 1.31 0.33 1.61 0.52 -1.26 -3.61 118.95 115.01 2qyh s ARG 45 Ca 0.15 0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 56.03 2qyh s ARG 45 Cb 0.18 -1.81 -0.09 0.00 0.52 0.00 0.00 34.95 33.74 2qyh s ARG 45 CO 0.64 -2.21 0.80 0.00 0.02 0.00 0.00 175.30 174.55 2qyh s ALA 46 N -2.93 3.27 0.23 2.13 0.00 -1.26 -0.54 121.76 122.66 2qyh s ALA 46 Ca 0.63 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 2qyh s ALA 46 Cb -0.18 -2.90 0.31 0.00 0.00 0.00 0.00 23.12 20.35 2qyh s ALA 46 CO 0.57 0.27 1.62 -1.35 0.00 0.00 0.00 175.76 176.87 2qyh h PRO 47 N 2.48 0.01 -3.25 0.00 0.11 -1.85 -3.32 132.00 126.19 2qyh h PRO 47 Ca -0.48 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2qyh h PRO 47 Cb 1.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2qyh h PRO 47 CO 0.64 0.01 0.98 1.97 -0.21 0.00 0.00 178.00 181.39 2qyh n PHE 48 N -5.45 0.29 0.00 0.65 -1.74 -1.23 -3.13 117.46 106.85 2qyh n PHE 48 Ca 0.10 -0.74 0.00 0.00 -0.56 0.00 0.00 57.45 56.25 2qyh n PHE 48 Cb 0.38 -0.87 0.00 0.00 1.52 0.00 0.00 39.48 40.51 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 3.76 0.00 0.04 2.97 1.16 -1.25 -4.90 117.46 119.23 2qyh n PHE 50 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 2qyh n PHE 50 Cb 0.14 -0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.04 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 0.33 0.45 -0.39 3.97 4.81 -1.88 -2.71 114.58 119.17 2qyh h GLU 51 Ca 0.00 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2qyh h GLU 51 Cb 0.00 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2qyh h GLU 51 CO 0.00 0.97 0.24 1.25 -0.73 0.00 0.00 179.01 180.74 2qyh h HIS 52 N 0.32 0.51 -0.68 0.92 2.76 -1.91 0.02 115.15 117.08 2qyh h HIS 52 Ca -0.02 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2qyh h HIS 52 Cb 1.24 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 2qyh h HIS 52 CO 0.05 0.35 0.45 0.28 -1.30 0.00 0.00 177.93 177.76 2qyh h VAL 53 N 0.52 1.17 -0.53 5.26 2.07 -1.99 -0.04 116.25 122.72 2qyh h VAL 53 Ca 0.14 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2qyh h VAL 53 Cb -0.02 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 2qyh h VAL 53 CO -0.03 0.17 0.34 0.03 0.02 0.00 0.00 177.57 178.10 2qyh h ARG 54 N 0.93 0.67 -0.41 1.57 3.08 -1.09 -1.26 114.38 117.87 2qyh h ARG 54 Ca 0.25 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 2qyh h ARG 54 Cb -0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2qyh h ARG 54 CO -0.06 0.45 -0.08 0.87 -1.07 0.00 0.00 179.97 180.08 2qyh h LYS 55 N 0.69 0.72 -0.56 0.04 1.57 -0.56 0.54 116.57 119.01 2qyh h LYS 55 Ca 0.20 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2qyh h LYS 55 Cb -0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2qyh h LYS 55 CO -0.06 0.79 0.27 1.96 -0.57 0.00 0.00 179.45 181.84 2qyh h GLN 56 N 0.66 0.80 -0.02 3.15 4.20 -0.33 -3.00 115.11 120.56 2qyh h GLN 56 Ca 0.12 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qyh h GLN 56 Cb 0.53 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2qyh h GLN 56 CO 0.03 0.66 -0.05 1.28 -0.67 0.00 0.00 178.83 180.08 2qyh n LEU 57 N -4.56 2.52 -3.47 1.46 4.77 -0.54 -4.96 117.00 112.21 2qyh n LEU 57 Ca 0.03 -0.84 -0.22 0.00 -0.03 0.00 0.00 56.01 54.94 2qyh n LEU 57 Cb 0.12 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2qyh n LEU 57 CO 0.37 0.42 0.23 0.61 -1.33 0.00 0.00 177.39 177.69 2qyh n GLY 58 N 1.31 -0.48 3.49 -0.72 0.00 0.17 -4.93 105.19 104.03 2qyh n GLY 58 Ca 0.15 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.31 4.98 -0.16 -0.61 1.01 0.07 -4.94 121.20 118.23 2qyh s ILE 59 Ca 0.50 -0.33 0.16 0.00 0.00 0.00 0.00 60.65 60.99 2qyh s ILE 59 Cb -0.22 -3.56 0.35 0.00 0.01 0.00 0.00 42.46 39.04 2qyh s ILE 59 CO 0.70 0.01 1.20 -0.90 0.00 0.00 0.00 174.94 175.96 2qyh n ASP 60 N 5.05 2.33 -4.12 3.58 5.75 -1.26 -4.67 116.55 123.22 2qyh n ASP 60 Ca -0.13 -3.31 -0.23 0.00 -0.01 0.00 0.00 54.79 51.10 2qyh n ASP 60 Cb 0.49 -0.47 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.87 1.80 -0.06 -1.12 0.01 -1.26 -0.73 113.70 109.47 2qyh s SER 61 Ca 0.35 -0.28 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 2qyh s SER 61 Cb 0.31 -0.30 0.12 0.00 0.21 0.00 0.00 66.02 66.36 2qyh s SER 61 CO 0.01 0.17 1.14 0.72 0.41 0.00 0.00 173.24 175.69 2qyh s PHE 62 N -0.21 -0.14 -0.28 2.43 -0.71 0.79 -2.69 117.98 117.16 2qyh s PHE 62 Ca 0.03 0.03 0.01 0.00 -1.04 0.00 0.00 56.93 55.95 2qyh s PHE 62 Cb -0.07 0.55 0.06 0.00 -1.21 0.00 0.00 43.02 42.34 2qyh s PHE 62 CO 0.00 -0.37 -0.05 0.08 -1.34 0.00 0.00 175.22 173.54 2qyh s VAL 63 N -2.66 2.58 0.48 -2.49 1.01 0.51 -0.55 120.40 119.28 2qyh s VAL 63 Ca 0.10 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 60.58 2qyh s VAL 63 Cb 0.01 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2qyh s VAL 63 CO -0.04 -0.10 0.18 -0.94 0.00 0.00 0.00 175.10 174.20 2qyh s SER 64 N 1.18 4.35 -1.44 3.32 1.04 -0.17 -0.51 113.70 121.47 2qyh s SER 64 Ca -0.06 -1.33 -0.05 0.00 0.48 0.00 0.00 55.95 54.99 2qyh s SER 64 Cb -0.20 0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.05 2qyh s SER 64 CO -0.03 -0.79 0.66 0.49 0.98 0.00 0.00 173.24 174.54 2qyh n PHE 65 N -1.37 -1.86 -4.23 5.02 3.72 0.30 -1.60 117.46 117.43 2qyh n PHE 65 Ca -0.07 0.81 -0.36 0.00 -0.05 0.00 0.00 57.45 57.78 2qyh n PHE 65 Cb 0.65 -3.86 -0.03 0.00 -0.94 0.00 0.00 39.48 35.30 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 -2.93 -2.84 0.00 4.37 4.13 -1.02 -1.56 115.26 115.40 2qyh n ASN 66 Ca -0.19 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.04 2qyh n ASN 66 Cb 0.63 -2.66 0.00 0.00 -1.54 0.00 0.00 39.78 36.21 2qyh n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qyh n GLY 67 N -1.45 0.32 0.02 7.41 0.00 -0.63 -1.46 105.19 109.41 2qyh n GLY 67 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 0.32 -3.41 1.61 3.00 -0.60 -4.55 117.38 111.74 2qyh n GLN 68 Ca 0.00 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.80 2qyh n GLN 68 Cb 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.64 2qyh n GLN 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2qyh s TYR 69 N -2.71 -0.56 -0.14 1.08 5.04 -1.15 -0.79 117.35 118.12 2qyh s TYR 69 Ca 0.23 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.21 2qyh s TYR 69 Cb 0.20 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.27 2qyh s TYR 69 CO 0.50 -0.75 -0.19 0.08 -1.34 0.00 0.00 175.55 173.86 2qyh s VAL 70 N 2.42 2.37 -0.04 3.14 1.01 0.20 -0.99 120.40 128.51 2qyh s VAL 70 Ca 0.10 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2qyh s VAL 70 Cb -0.15 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2qyh s VAL 70 CO -0.20 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.54 2qyh s VAL 71 N 0.75 2.49 -0.14 2.92 1.01 0.28 0.68 120.40 128.40 2qyh s VAL 71 Ca -0.08 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2qyh s VAL 71 Cb -0.16 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2qyh s VAL 71 CO 0.00 0.58 -0.15 0.12 0.00 0.00 0.00 175.10 175.66 2qyh s PHE 72 N -0.58 2.14 -1.49 5.22 5.36 0.80 -0.15 117.98 129.28 2qyh s PHE 72 Ca 0.08 -1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 54.85 2qyh s PHE 72 Cb -0.11 -1.57 0.03 0.00 -0.34 0.00 0.00 43.02 41.04 2qyh s PHE 72 CO 0.00 -0.63 0.45 0.39 -1.46 0.00 0.00 175.22 173.97 2qyh n GLU 73 N 4.64 -2.98 0.00 10.12 1.02 -1.09 -1.35 120.64 130.99 2qyh n GLU 73 Ca -0.17 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2qyh n GLU 73 Cb 0.50 -4.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 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 -1.93 2.22 3.37 0.62 0.00 0.09 -5.00 105.19 104.56 2qyh n GLY 74 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.12 3.44 0.19 1.61 0.01 -0.46 -5.08 114.94 111.53 2qyh s ASN 75 Ca 0.00 -0.37 -0.32 0.00 -0.71 0.00 0.00 52.86 51.46 2qyh s ASN 75 Cb 0.00 -0.58 -0.12 0.00 0.41 0.00 0.00 41.25 40.96 2qyh s ASN 75 CO 0.00 0.32 1.72 0.52 -1.51 0.00 0.00 177.10 178.16 2qyh n VAL 76 N 2.43 0.05 -0.08 1.60 0.31 -1.26 -0.14 118.33 121.24 2qyh n VAL 76 Ca -0.17 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.07 2qyh n VAL 76 Cb 0.52 -1.95 -0.11 0.00 -0.91 0.00 0.00 33.84 31.38 2qyh n VAL 76 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2qyh n LEU 77 N 4.13 0.53 -3.63 7.52 7.94 0.22 -4.83 117.00 128.87 2qyh n LEU 77 Ca 0.16 -0.02 -0.13 0.00 -1.11 0.00 0.00 56.01 54.91 2qyh n LEU 77 Cb 0.34 0.18 -0.07 0.00 0.53 0.00 0.00 43.42 44.41 2qyh n LEU 77 CO 0.64 0.44 0.41 -0.47 -1.11 0.00 0.00 177.39 177.31 2qyh s TYR 78 N -2.36 -0.81 -0.15 1.96 6.14 -0.99 -5.01 117.35 116.13 2qyh s TYR 78 Ca -0.10 1.94 -0.08 0.00 0.64 0.00 0.00 57.07 59.47 2qyh s TYR 78 Cb 0.05 0.30 0.06 0.00 0.42 0.00 0.00 41.96 42.78 2qyh s TYR 78 CO 0.57 -0.39 0.36 -1.59 0.64 0.00 0.00 175.55 175.14 2qyh s LYS 79 N 0.49 0.33 -0.42 4.97 -2.85 -1.26 -0.63 119.74 120.36 2qyh s LYS 79 Ca -0.01 0.71 0.03 0.00 -1.00 0.00 0.00 55.97 55.70 2qyh s LYS 79 Cb -0.05 -0.05 0.12 0.00 -2.06 0.00 0.00 37.83 35.79 2qyh s LYS 79 CO -0.01 -0.16 0.17 -1.14 0.10 0.00 0.00 175.35 174.31 2qyh s GLN 80 N 1.40 1.49 0.80 1.78 0.74 0.03 -5.01 119.66 120.89 2qyh s GLN 80 Ca -0.09 -2.04 -0.10 0.00 0.05 0.00 0.00 55.36 53.17 2qyh s GLN 80 Cb -0.09 -2.86 0.07 0.00 1.10 0.00 0.00 33.01 31.24 2qyh s GLN 80 CO -0.11 -1.06 1.10 -2.14 -0.55 0.00 0.00 175.29 172.53 2qyh s PRO 81 N 0.47 2.02 0.42 1.67 0.02 -1.26 -4.80 135.00 133.53 2qyh s PRO 81 Ca 0.14 1.21 -0.23 0.00 0.02 0.00 0.00 61.00 62.14 2qyh s PRO 81 Cb -0.22 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 2qyh s PRO 81 CO -0.06 -1.82 1.07 -0.51 -0.33 0.00 0.00 177.00 175.34 2qyh s LEU 82 N -6.04 4.09 -0.22 -5.54 1.02 0.18 -4.93 118.68 107.24 2qyh s LEU 82 Ca 0.62 2.07 -0.28 0.00 0.02 0.00 0.00 54.13 56.55 2qyh s LEU 82 Cb -0.18 -4.23 -0.04 0.00 0.02 0.00 0.00 46.19 41.76 2qyh s LEU 82 CO 0.56 -0.59 2.01 -0.13 0.02 0.00 0.00 176.35 178.23 2qyh s ARG 83 N -2.60 3.36 0.27 1.70 0.52 -1.26 -4.73 118.95 116.21 2qyh s ARG 83 Ca 0.60 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 2qyh s ARG 83 Cb -0.22 -4.26 0.60 0.00 0.52 0.00 0.00 34.95 31.58 2qyh s ARG 83 CO 0.28 -1.83 1.71 -0.09 0.02 0.00 0.00 175.30 175.39 2qyh h ARG 84 N 13.51 0.43 -0.17 3.54 2.43 -1.93 0.15 114.38 132.34 2qyh h ARG 84 Ca -0.39 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.81 2qyh h ARG 84 Cb 1.21 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.60 2qyh h ARG 84 CO 0.98 0.28 -0.34 1.49 -1.51 0.00 0.00 179.97 180.87 2qyh h GLU 85 N 0.44 -0.38 -0.05 0.20 4.81 -1.98 -0.12 114.58 117.50 2qyh h GLU 85 Ca 0.49 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.65 2qyh h GLU 85 Cb 0.84 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2qyh h GLU 85 CO -0.47 -0.25 -0.40 0.87 -0.73 0.00 0.00 179.01 178.03 2qyh h LYS 86 N -0.39 0.11 -0.57 1.92 1.79 -1.62 -2.66 116.57 115.14 2qyh h LYS 86 Ca 0.10 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 2qyh h LYS 86 Cb 0.56 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2qyh h LYS 86 CO -0.39 0.50 0.19 0.28 -1.08 0.00 0.00 179.45 178.94 2qyh h VAL 87 N 0.09 1.24 -0.35 0.50 2.07 -0.20 -1.52 116.25 118.08 2qyh h VAL 87 Ca 0.01 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2qyh h VAL 87 Cb 0.75 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2qyh h VAL 87 CO 0.06 0.30 0.19 -0.09 0.02 0.00 0.00 177.57 178.04 2qyh h ARG 88 N 0.80 0.48 -0.13 1.57 2.43 -0.79 -1.69 114.38 117.07 2qyh h ARG 88 Ca 0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2qyh h ARG 88 Cb 0.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2qyh h ARG 88 CO -0.01 0.41 0.08 0.00 -1.51 0.00 0.00 179.97 178.94 2qyh h ALA 89 N 1.05 0.16 -0.93 2.80 0.00 -1.32 -1.53 119.26 119.49 2qyh h ALA 89 Ca 0.12 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2qyh h ALA 89 Cb 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2qyh h ALA 89 CO -0.02 -0.33 0.59 1.25 0.00 0.00 0.00 179.25 180.75 2qyh h LEU 90 N 0.14 0.96 -0.16 0.00 6.46 -1.18 0.70 115.31 122.22 2qyh h LEU 90 Ca 0.05 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2qyh h LEU 90 Cb 0.03 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2qyh h LEU 90 CO -0.01 0.62 0.02 0.74 -0.62 0.00 0.00 178.44 179.20 2qyh h THR 91 N 1.10 1.23 -0.01 1.05 2.02 -1.02 -0.21 112.91 117.07 2qyh h THR 91 Ca 0.40 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2qyh h THR 91 Cb 0.13 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2qyh h THR 91 CO -0.16 0.22 0.00 -0.33 0.37 0.00 0.00 175.52 175.62 2qyh h GLU 92 N 0.04 0.01 -0.37 6.66 5.08 -0.90 0.13 114.58 125.23 2qyh h GLU 92 Ca 0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2qyh h GLU 92 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qyh h GLU 92 CO 0.00 0.23 0.23 1.49 -1.00 0.00 0.00 179.01 179.96 2qyh h GLU 93 N -0.20 0.46 -0.74 2.33 4.81 -0.88 -2.05 114.58 118.30 2qyh h GLU 93 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2qyh h GLU 93 Cb 0.22 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2qyh h GLU 93 CO -0.00 0.30 0.29 0.00 -0.73 0.00 0.00 179.01 178.87 2qyh h ALA 94 N 1.16 0.96 -0.38 2.92 0.00 -0.95 -2.25 119.26 120.72 2qyh h ALA 94 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qyh h ALA 94 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2qyh h ALA 94 CO -0.05 0.60 0.25 1.25 0.00 0.00 0.00 179.25 181.29 2qyh h HIS 95 N 1.07 0.38 -0.08 0.00 -0.00 -0.35 -0.22 115.15 115.95 2qyh h HIS 95 Ca 0.25 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 2qyh h HIS 95 Cb 0.23 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2qyh h HIS 95 CO 0.02 0.22 -0.07 0.87 -0.00 0.00 0.00 177.93 178.97 2qyh h LYS 96 N 0.39 0.11 -0.54 5.26 1.57 -0.75 -1.77 116.57 120.84 2qyh h LYS 96 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2qyh h LYS 96 Cb 0.13 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2qyh h LYS 96 CO -0.04 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.13 2qyh n ASN 97 N -4.39 3.35 -0.41 0.86 3.02 -0.21 -4.93 115.26 112.55 2qyh n ASN 97 Ca -0.02 -1.98 -0.05 0.00 -0.03 0.00 0.00 54.58 52.50 2qyh n ASN 97 Cb 0.19 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 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 1.50 0.79 3.60 7.41 0.00 -0.67 -5.01 105.19 112.82 2qyh n GLY 98 Ca 0.21 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.15 3.23 0.61 1.61 3.76 -0.53 -4.99 115.29 116.84 2qyh s HIS 99 Ca 0.00 0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 55.17 2qyh s HIS 99 Cb 0.00 -2.50 0.04 0.00 1.11 0.00 0.00 32.58 31.23 2qyh s HIS 99 CO 0.00 -0.21 0.88 -1.25 -0.85 0.00 0.00 174.74 173.32 2qyh s PRO 100 N 1.95 2.44 0.21 8.40 0.04 -1.25 -3.55 135.00 143.23 2qyh s PRO 100 Ca 0.12 -0.49 0.03 0.00 0.04 0.00 0.00 61.00 60.70 2qyh s PRO 100 Cb -0.16 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 2qyh s PRO 100 CO 0.10 -0.92 -0.00 -0.51 0.04 0.00 0.00 177.00 175.71 2qyh s LEU 101 N -4.98 2.16 -0.07 -3.56 1.02 -1.25 -0.75 118.68 111.25 2qyh s LEU 101 Ca 0.58 -1.20 0.02 0.00 0.02 0.00 0.00 54.13 53.55 2qyh s LEU 101 Cb -0.10 -0.19 0.02 0.00 0.02 0.00 0.00 46.19 45.93 2qyh s LEU 101 CO 0.42 -0.53 -0.10 -0.69 0.02 0.00 0.00 176.35 175.47 2qyh s VAL 102 N -3.50 1.02 0.60 -1.59 1.01 0.31 -0.75 120.40 117.49 2qyh s VAL 102 Ca 0.27 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2qyh s VAL 102 Cb 0.06 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.56 2qyh s VAL 102 CO 0.07 0.34 0.83 -0.36 0.00 0.00 0.00 175.10 175.97 2qyh s PHE 103 N 0.92 1.77 0.00 5.22 0.08 0.34 -0.40 117.98 125.91 2qyh s PHE 103 Ca -0.10 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.47 2qyh s PHE 103 Cb -0.15 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 2qyh s PHE 103 CO 0.01 -1.21 0.00 -0.40 -0.10 0.00 0.00 175.22 173.51 2qyh n ASP 105 N -2.39 0.00 0.18 1.36 5.68 -0.75 -0.46 116.55 120.16 2qyh n ASP 105 Ca 0.14 -0.97 0.03 0.00 -0.50 0.00 0.00 54.79 53.49 2qyh n ASP 105 Cb 0.61 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.93 2qyh n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qyh h ALA 106 N 2.00 1.28 0.02 2.12 0.00 -2.00 -3.35 119.26 119.32 2qyh h ALA 106 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 54.91 54.18 2qyh h ALA 106 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2qyh h ALA 106 CO 0.00 0.50 -2.07 0.39 0.00 0.00 0.00 179.25 178.08 2qyh n GLU 107 N -3.98 0.62 0.00 0.00 4.71 -1.26 -3.48 120.64 117.25 2qyh n GLU 107 Ca -0.02 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 2qyh n GLU 107 Cb 0.44 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2qyh n GLU 107 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2qyh n LYS 108 N -3.99 0.26 0.00 3.49 2.85 -1.26 -4.76 118.16 114.75 2qyh n LYS 108 Ca -0.43 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 2qyh n LYS 108 Cb 0.87 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.25 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 -4.04 -1.58 5.12 0.39 -1.81 116.66 114.73 2qyh n ARG 110 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 2qyh n ARG 110 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 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 -1.18 3.70 -0.00 7.54 0.00 -0.61 0.13 121.76 131.33 2qyh s ALA 111 Ca 0.00 -0.79 0.15 0.00 0.00 0.00 0.00 51.96 51.32 2qyh s ALA 111 Cb 0.00 -1.72 0.23 0.00 0.00 0.00 0.00 23.12 21.63 2qyh s ALA 111 CO 0.00 0.68 1.52 0.66 0.00 0.00 0.00 175.76 178.62 2qyh h SER 112 N 4.32 0.00 -4.11 0.00 4.64 -1.20 -0.07 113.55 117.13 2qyh h SER 112 Ca -0.50 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.31 2qyh h SER 112 Cb 1.19 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.99 2qyh h SER 112 CO 0.62 0.54 -0.82 -0.63 -0.87 0.00 0.00 176.83 175.67 2qyh s ILE 113 N -3.15 1.18 0.33 0.95 1.01 -1.26 -4.23 121.20 116.03 2qyh s ILE 113 Ca 0.02 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 2qyh s ILE 113 Cb 0.09 -0.99 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 2qyh s ILE 113 CO 0.74 0.34 0.70 -0.83 0.00 0.00 0.00 174.94 175.89 2qyh s GLY 114 N -0.20 2.16 -1.66 6.18 0.00 -1.26 -4.32 107.32 108.22 2qyh s GLY 114 Ca 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 44.72 44.46 2qyh s GLY 114 CO 0.00 0.05 0.66 1.34 0.00 0.00 0.00 173.10 175.15 2qyh n ASP 115 N -0.67 -2.43 -4.70 1.64 2.03 -1.26 -4.92 116.55 106.22 2qyh n ASP 115 Ca 0.02 -1.04 -0.39 0.00 0.52 0.00 0.00 54.79 53.90 2qyh n ASP 115 Cb 0.53 -2.66 -0.05 0.00 -0.72 0.00 0.00 41.12 38.22 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 -3.47 3.51 0.57 -0.67 2.46 -1.26 -4.97 115.29 111.46 2qyh s HIS 116 Ca 0.58 1.06 0.26 0.00 0.47 0.00 0.00 55.06 57.43 2qyh s HIS 116 Cb -0.32 -2.73 1.66 0.00 -0.13 0.00 0.00 32.58 31.06 2qyh s HIS 116 CO 0.93 0.05 2.19 -1.00 -2.47 0.00 0.00 174.74 174.44 2qyh h PRO 117 N 6.92 0.00 0.01 2.88 0.13 -1.98 -2.35 132.00 137.62 2qyh h PRO 117 Ca -0.39 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.54 2qyh h PRO 117 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2qyh h PRO 117 CO 0.76 0.00 -0.97 0.45 -0.23 0.00 0.00 178.00 178.01 2qyh h HIS 118 N 0.00 0.05 0.07 1.56 3.86 -1.94 -2.97 115.15 115.79 2qyh h HIS 118 Ca 0.03 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2qyh h HIS 118 Cb 0.15 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2qyh h HIS 118 CO 0.00 0.98 -0.03 0.82 0.86 0.00 0.00 177.93 180.55 2qyh h ILE 119 N 0.01 1.16 -0.15 2.45 2.04 -1.80 -2.21 117.51 119.01 2qyh h ILE 119 Ca -0.02 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.04 2qyh h ILE 119 Cb 1.70 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 39.41 2qyh h ILE 119 CO 0.13 0.21 -0.46 0.45 0.00 0.00 0.00 178.15 178.47 2qyh h HIS 120 N -0.48 -1.35 0.68 1.37 3.86 -1.49 -3.20 115.15 114.53 2qyh h HIS 120 Ca -0.01 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2qyh h HIS 120 Cb 0.41 0.61 0.01 0.00 1.06 0.00 0.00 27.41 29.50 2qyh h HIS 120 CO 0.05 -0.50 -0.33 0.28 0.86 0.00 0.00 177.93 178.29 2qyh h VAL 121 N -0.52 0.32 0.00 2.45 2.07 -1.58 0.72 116.25 119.71 2qyh h VAL 121 Ca 0.07 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2qyh h VAL 121 Cb 0.65 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2qyh h VAL 121 CO -0.42 0.01 0.00 -1.54 0.02 0.00 0.00 177.57 175.63 2qyh n SER 122 N -5.47 0.18 0.00 0.57 3.41 -0.83 -2.52 113.62 108.97 2qyh n SER 122 Ca -0.13 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2qyh n SER 122 Cb 0.37 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.66 0.00 0.26 7.33 0.00 0.25 -3.62 120.51 125.37 2qyh n ALA 124 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qyh n ALA 124 Cb 0.04 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.09 0.00 4.64 -1.74 0.16 113.55 116.52 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 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 2qyh n LEU 126 N -3.33 1.88 -1.77 5.97 4.32 -1.24 -4.91 117.00 117.92 2qyh n LEU 126 Ca -0.00 -0.70 -0.12 0.00 -0.02 0.00 0.00 56.01 55.17 2qyh n LEU 126 Cb 0.33 -0.05 0.02 0.00 -1.62 0.00 0.00 43.42 42.10 2qyh n LEU 126 CO 0.30 0.35 0.01 0.29 -1.22 0.00 0.00 177.39 177.11 2qyh n LYS 127 N 0.46 -2.76 -4.43 3.23 4.76 0.57 -5.04 118.16 114.95 2qyh n LYS 127 Ca 0.18 0.49 -0.29 0.00 -2.87 0.00 0.00 58.31 55.82 2qyh n LYS 127 Cb 0.39 -4.49 -0.13 0.00 -1.84 0.00 0.00 35.03 28.97 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 -2.90 2.29 0.65 2.13 0.40 -1.26 -4.98 117.98 114.32 2qyh s PHE 128 Ca 0.17 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.03 2qyh s PHE 128 Cb -0.08 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.21 2qyh s PHE 128 CO 0.21 0.32 1.00 0.00 0.70 0.00 0.00 175.22 177.45 2qyh s ALA 129 N -1.04 3.09 0.10 5.36 0.00 -1.26 -3.25 121.76 124.75 2qyh s ALA 129 Ca 0.14 -0.48 -0.32 0.00 0.00 0.00 0.00 51.96 51.30 2qyh s ALA 129 Cb -0.10 -2.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.06 2qyh s ALA 129 CO 0.06 -0.95 1.77 1.58 0.00 0.00 0.00 175.76 178.22 2qyh n HIS 130 N -2.80 2.49 -1.39 0.00 -0.00 -1.26 -4.92 115.22 107.35 2qyh n HIS 130 Ca 0.06 -0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.88 2qyh n HIS 130 Cb 0.57 -2.67 0.10 0.00 -0.12 0.00 0.00 29.99 27.88 2qyh n HIS 130 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2qyh n PRO 131 N 5.13 0.61 -1.16 1.57 -0.02 -1.26 -4.94 135.00 134.93 2qyh n PRO 131 Ca 0.18 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 2qyh n PRO 131 Cb 0.33 -2.48 0.12 0.00 -0.02 0.00 0.00 33.50 31.45 2qyh n PRO 131 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2qyh s PRO 132 N -3.78 1.72 -0.03 0.52 0.02 -1.26 -4.45 135.00 127.74 2qyh s PRO 132 Ca 0.78 1.74 -0.18 0.00 0.02 0.00 0.00 61.00 63.35 2qyh s PRO 132 Cb -0.33 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 2qyh s PRO 132 CO 0.46 -2.15 0.51 0.08 -0.33 0.00 0.00 177.00 175.57 2qyh s VAL 133 N -2.15 5.01 -0.40 3.83 1.01 -1.26 -1.57 120.40 124.87 2qyh s VAL 133 Ca 0.73 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 2qyh s VAL 133 Cb -0.28 -3.84 0.19 0.00 0.00 0.00 0.00 36.38 32.45 2qyh s VAL 133 CO 0.50 0.44 0.90 -0.62 0.00 0.00 0.00 175.10 176.32 2qyh s ASP 134 N -0.25 -0.85 0.48 3.32 -1.08 -0.04 -4.90 116.67 113.35 2qyh s ASP 134 Ca 0.27 -0.74 0.23 0.00 -0.52 0.00 0.00 52.55 51.80 2qyh s ASP 134 Cb -0.17 1.10 1.24 0.00 -1.46 0.00 0.00 42.92 43.63 2qyh s ASP 134 CO 0.14 -0.06 1.66 -0.65 0.52 0.00 0.00 175.17 176.78 2qyh h PRO 135 N 5.29 0.00 0.00 4.34 0.11 -1.74 -2.41 132.00 137.60 2qyh h PRO 135 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2qyh h PRO 135 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2qyh h PRO 135 CO -0.03 0.00 -0.27 1.28 -0.21 0.00 0.00 178.00 178.77 2qyh n LEU 136 N -2.47 2.38 -0.18 2.35 4.77 -1.26 -4.78 117.00 117.81 2qyh n LEU 136 Ca -0.02 -3.34 0.02 0.00 -0.03 0.00 0.00 56.01 52.64 2qyh n LEU 136 Cb 0.28 -0.45 0.28 0.00 -2.33 0.00 0.00 43.42 41.21 2qyh n LEU 136 CO 0.10 0.99 1.23 0.22 -1.33 0.00 0.00 177.39 178.60 2qyh h TYR 137 N 0.47 0.87 0.00 -1.77 5.03 -1.84 -2.13 116.97 117.60 2qyh h TYR 137 Ca -0.01 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2qyh h TYR 137 Cb 1.04 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 39.03 2qyh h TYR 137 CO 0.34 0.54 -0.06 0.10 -1.32 0.00 0.00 178.16 177.76 2qyh h TYR 138 N 0.93 0.00 0.00 -3.82 -0.00 -1.85 -2.75 116.97 109.48 2qyh h TYR 138 Ca 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.93 2qyh h TYR 138 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.65 2qyh h TYR 138 CO -0.00 0.06 -0.28 0.93 -0.00 0.00 0.00 178.16 178.87 2qyh h GLU 139 N 0.00 0.00 0.00 0.10 4.39 -1.75 -3.29 114.58 114.03 2qyh h GLU 139 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qyh h GLU 139 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2qyh h GLU 139 CO 0.01 0.28 0.00 0.27 -1.16 0.00 0.00 179.01 178.41 2qyh n ASN 140 N -3.94 1.05 -4.19 1.42 0.23 -1.19 -5.05 115.26 103.60 2qyh n ASN 140 Ca -0.02 -1.28 -0.18 0.00 -0.53 0.00 0.00 54.58 52.57 2qyh n ASN 140 Cb 0.36 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.94 2qyh n ASN 140 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qyh s LYS 141 N -0.28 0.87 -0.00 -3.83 -0.14 -1.04 -5.12 119.74 110.20 2qyh s LYS 141 Ca 0.00 -1.03 -0.30 0.00 -1.36 0.00 0.00 55.97 53.28 2qyh s LYS 141 Cb 0.00 -0.83 -0.04 0.00 -1.68 0.00 0.00 37.83 35.29 2qyh s LYS 141 CO 0.00 0.18 1.07 -0.51 -0.76 0.00 0.00 175.35 175.32 2qyh s ASP 142 N -1.94 7.24 -0.12 2.83 1.01 -1.26 -4.61 116.67 119.82 2qyh s ASP 142 Ca 0.01 1.76 -0.02 0.00 0.71 0.00 0.00 52.55 55.01 2qyh s ASP 142 Cb -0.08 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2qyh s ASP 142 CO 0.02 -0.37 -0.07 -0.63 0.21 0.00 0.00 175.17 174.33 2qyh s ILE 143 N 1.26 3.65 -0.43 0.77 -1.09 -1.26 -4.57 121.20 119.52 2qyh s ILE 143 Ca 0.54 -0.46 0.18 0.00 -2.23 0.00 0.00 60.65 58.68 2qyh s ILE 143 Cb -0.23 -2.55 -0.24 0.00 -1.58 0.00 0.00 42.46 37.86 2qyh s ILE 143 CO 0.27 0.53 0.58 -1.22 -1.23 0.00 0.00 174.94 173.86 2qyh n TYR 144 N 3.14 0.00 -3.55 3.97 4.02 -1.26 0.50 117.16 123.98 2qyh n TYR 144 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 2qyh n TYR 144 Cb 0.53 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.60 2qyh n TYR 144 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qyh s GLN 145 N -2.96 0.68 0.23 -0.72 0.74 -1.26 -4.65 119.66 111.72 2qyh s GLN 145 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.40 2qyh s GLN 145 Cb 0.12 0.32 -0.04 0.00 1.10 0.00 0.00 33.01 34.51 2qyh s GLN 145 CO 0.74 -0.25 0.13 0.00 -0.55 0.00 0.00 175.29 175.36 2qyh s ALA 146 N -1.88 1.40 -0.08 1.58 0.00 -0.97 -4.69 121.76 117.12 2qyh s ALA 146 Ca 0.01 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.23 2qyh s ALA 146 Cb -0.01 1.30 0.01 0.00 0.00 0.00 0.00 23.12 24.43 2qyh s ALA 146 CO -0.02 -0.56 -0.15 -0.51 0.00 0.00 0.00 175.76 174.52 2qyh s LEU 147 N -3.22 1.75 -0.17 0.00 1.43 0.46 -0.55 118.68 118.38 2qyh s LEU 147 Ca 0.39 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2qyh s LEU 147 Cb 0.07 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2qyh s LEU 147 CO 0.14 0.06 -0.02 -0.22 0.23 0.00 0.00 176.35 176.54 2qyh s LEU 148 N 0.61 3.27 -0.46 1.79 2.96 -0.58 -0.53 118.68 125.75 2qyh s LEU 148 Ca -0.15 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 2qyh s LEU 148 Cb -0.16 -1.80 0.10 0.00 0.50 0.00 0.00 46.19 44.82 2qyh s LEU 148 CO 0.05 0.14 0.34 -0.36 -1.32 0.00 0.00 176.35 175.19 2qyh s PHE 149 N 0.53 3.34 0.10 5.38 0.40 0.07 -1.11 117.98 126.69 2qyh s PHE 149 Ca -0.02 -1.50 -0.26 0.00 -0.60 0.00 0.00 56.93 54.55 2qyh s PHE 149 Cb -0.14 -3.25 0.08 0.00 0.51 0.00 0.00 43.02 40.22 2qyh s PHE 149 CO 0.02 -0.90 0.81 0.00 0.70 0.00 0.00 175.22 175.85 2qyh s ARG 151 N -3.40 3.13 0.56 0.00 0.52 -1.26 -3.65 118.95 114.85 2qyh s ARG 151 Ca 0.06 0.09 0.25 0.00 -0.52 0.00 0.00 55.73 55.62 2qyh s ARG 151 Cb -0.02 -2.29 1.53 0.00 0.52 0.00 0.00 34.95 34.70 2qyh s ARG 151 CO -0.06 -0.56 2.10 0.00 0.02 0.00 0.00 175.30 176.80 2qyh h ALA 152 N -0.07 1.99 0.00 2.13 0.00 -1.92 -0.06 119.26 121.33 2qyh h ALA 152 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qyh h ALA 152 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qyh h ALA 152 CO 0.61 -0.30 0.00 0.93 0.00 0.00 0.00 179.25 180.49 2qyh h GLU 153 N 0.00 0.00 -0.00 0.00 3.07 -1.95 -3.22 114.58 112.48 2qyh h GLU 153 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2qyh h GLU 153 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2qyh h GLU 153 CO -0.00 0.00 -0.75 0.39 -1.40 0.00 0.00 179.01 177.25 2qyh n GLU 154 N -2.97 1.33 0.06 2.33 1.02 -0.05 -4.65 120.64 117.72 2qyh n GLU 154 Ca 0.01 -0.13 -0.05 0.00 -0.02 0.00 0.00 57.16 56.97 2qyh n GLU 154 Cb 0.33 -1.32 0.14 0.00 -0.02 0.00 0.00 31.44 30.57 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 0.30 0.35 -0.56 3.49 4.11 -1.53 -3.37 114.58 117.36 2qyh h GLU 155 Ca 0.00 -0.20 0.06 0.00 0.07 0.00 0.00 59.36 59.29 2qyh h GLU 155 Cb 0.44 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 2qyh h GLU 155 CO 0.00 0.77 -0.31 -1.91 0.07 0.00 0.00 179.01 177.64 2qyh n GLU 156 N -3.96 -0.22 0.04 1.06 4.07 -1.26 -1.00 120.64 119.36 2qyh n GLU 156 Ca -0.02 0.86 -0.12 0.00 -0.06 0.00 0.00 57.16 57.82 2qyh n GLU 156 Cb 0.55 -1.26 -0.05 0.00 -0.06 0.00 0.00 31.44 30.62 2qyh n GLU 156 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2qyh h PRO 157 N 0.00 -0.46 -0.33 5.31 0.11 -1.95 0.45 132.00 135.13 2qyh h PRO 157 Ca 0.12 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.32 2qyh h PRO 157 Cb 0.26 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 2qyh h PRO 157 CO -0.54 -0.31 -0.07 1.88 -0.21 0.00 0.00 178.00 178.76 2qyh h TYR 158 N -0.48 -0.15 -0.45 0.65 0.05 -1.32 0.88 116.97 116.16 2qyh h TYR 158 Ca 0.07 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.95 2qyh h TYR 158 Cb 0.58 0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.38 2qyh h TYR 158 CO -0.39 -0.13 0.09 0.28 -1.05 0.00 0.00 178.16 176.96 2qyh h VAL 159 N 0.02 0.76 -0.25 -2.88 2.07 -0.90 -0.88 116.25 114.19 2qyh h VAL 159 Ca 0.16 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 2qyh h VAL 159 Cb 0.24 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2qyh h VAL 159 CO -0.33 0.04 -0.21 -0.09 0.02 0.00 0.00 177.57 177.00 2qyh h ARG 160 N 0.22 0.59 0.00 1.57 9.65 0.23 -3.27 114.38 123.37 2qyh h ARG 160 Ca 0.22 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2qyh h ARG 160 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2qyh h ARG 160 CO -0.29 0.89 -0.03 0.09 2.80 0.00 0.00 179.97 183.43 2qyh n ASN 161 N -4.38 0.30 -3.30 -3.80 3.02 0.30 -4.34 115.26 103.06 2qyh n ASN 161 Ca -0.04 0.50 -0.25 0.00 -0.03 0.00 0.00 54.58 54.75 2qyh n ASN 161 Cb 0.42 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.77 1.20 0.48 3.10 4.01 -0.35 -4.91 117.16 118.92 2qyh n TYR 162 Ca 0.06 -3.79 0.06 0.00 -0.16 0.00 0.00 57.90 54.07 2qyh n TYR 162 Cb 0.37 -0.41 0.27 0.00 -0.31 0.00 0.00 39.34 39.27 2qyh n TYR 162 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2qyh n PRO 163 N 1.27 0.07 0.00 -0.72 -0.04 -1.26 -1.87 135.00 132.46 2qyh n PRO 163 Ca 0.25 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 2qyh n PRO 163 Cb 0.48 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.02 2qyh n PRO 163 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2qyh n GLU 164 N -1.41 0.20 -4.48 0.54 0.00 -1.26 -4.68 120.64 109.55 2qyh n GLU 164 Ca 0.04 -0.04 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 2qyh n GLU 164 Cb 0.12 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.96 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 -2.83 2.42 -0.14 -1.84 0.08 -0.78 -1.20 117.98 113.69 2qyh s PHE 165 Ca 0.19 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.80 2qyh s PHE 165 Cb 0.19 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2qyh s PHE 165 CO 0.54 0.59 -0.10 0.50 -0.10 0.00 0.00 175.22 176.65 2qyh s ARG 166 N -3.61 1.91 -0.33 0.44 6.06 0.20 -4.42 118.95 119.19 2qyh s ARG 166 Ca 0.32 -0.49 -0.16 0.00 -2.50 0.00 0.00 55.73 52.91 2qyh s ARG 166 Cb -0.00 -1.96 -0.01 0.00 0.06 0.00 0.00 34.95 33.04 2qyh s ARG 166 CO 0.17 -0.29 0.41 -0.06 -2.50 0.00 0.00 175.30 173.03 2qyh s PHE 167 N 1.57 3.21 -0.25 5.12 0.40 -1.26 -1.84 117.98 124.94 2qyh s PHE 167 Ca 0.04 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 2qyh s PHE 167 Cb -0.13 -2.73 0.05 0.00 0.51 0.00 0.00 43.02 40.72 2qyh s PHE 167 CO -0.09 -0.42 -0.12 0.08 0.70 0.00 0.00 175.22 175.37 2qyh s VAL 168 N 2.15 2.26 0.27 -0.44 1.01 -0.70 -4.93 120.40 120.01 2qyh s VAL 168 Ca 0.15 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 2qyh s VAL 168 Cb -0.16 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 2qyh s VAL 168 CO 0.12 0.09 1.06 -0.60 0.00 0.00 0.00 175.10 175.77 2qyh s ARG 169 N 1.16 4.68 0.00 2.72 3.52 -1.26 -0.36 118.95 129.41 2qyh s ARG 169 Ca -0.05 1.72 0.00 0.00 -0.13 0.00 0.00 55.73 57.27 2qyh s ARG 169 Cb -0.18 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2qyh s ARG 169 CO -0.06 0.28 0.02 -2.67 -0.81 0.00 0.00 175.30 172.06 2qyh n TRP 170 N 1.23 0.00 -3.90 5.12 4.27 -1.19 -4.92 117.44 118.04 2qyh n TRP 170 Ca -0.01 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.50 2qyh n TRP 170 Cb 0.45 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.34 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 -0.17 0.27 0.39 -2.67 5.04 -1.01 -5.03 115.29 112.12 2qyh s HIS 171 Ca 0.00 -0.66 0.06 0.00 -1.54 0.00 0.00 55.06 52.92 2qyh s HIS 171 Cb 0.00 -0.03 0.78 0.00 0.04 0.00 0.00 32.58 33.37 2qyh s HIS 171 CO 0.00 -0.67 2.03 -0.44 -2.34 0.00 0.00 174.74 173.32 2qyh h ASP 172 N 2.59 0.53 0.00 9.88 3.45 -1.99 -3.19 116.42 127.69 2qyh h ASP 172 Ca -0.32 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.11 2qyh h ASP 172 Cb 1.22 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2qyh h ASP 172 CO 0.51 0.41 -0.02 1.33 -1.57 0.00 0.00 179.24 179.89 2qyh n VAL 173 N -4.44 1.81 -3.70 -1.35 0.24 -1.26 -4.24 118.33 105.38 2qyh n VAL 173 Ca 0.04 -2.17 -0.12 0.00 -2.04 0.00 0.00 64.34 60.04 2qyh n VAL 173 Cb 0.08 -0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.80 -0.53 0.04 -1.34 0.15 -1.21 -2.21 113.70 105.81 2qyh s SER 174 Ca 0.31 0.98 0.03 0.00 0.70 0.00 0.00 55.95 57.97 2qyh s SER 174 Cb 0.27 0.96 -0.02 0.00 -1.71 0.00 0.00 66.02 65.52 2qyh s SER 174 CO 0.03 -0.18 -0.10 0.28 1.20 0.00 0.00 173.24 174.47 2qyh s THR 175 N 0.54 0.75 0.40 6.45 -1.32 -0.27 -2.40 115.64 119.79 2qyh s THR 175 Ca -0.02 -0.94 -0.23 0.00 -1.21 0.00 0.00 61.69 59.28 2qyh s THR 175 Cb -0.04 -0.73 -0.10 0.00 -1.51 0.00 0.00 72.50 70.12 2qyh s THR 175 CO -0.03 -0.18 0.99 -1.81 -2.21 0.00 0.00 174.62 171.38 2qyh s ASP 176 N -1.24 6.91 -0.31 8.08 1.01 0.51 -1.53 116.67 130.10 2qyh s ASP 176 Ca -0.04 1.86 0.03 0.00 0.71 0.00 0.00 52.55 55.11 2qyh s ASP 176 Cb -0.08 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.36 2qyh s ASP 176 CO 0.01 -0.38 -0.01 -0.69 0.21 0.00 0.00 175.17 174.31 2qyh s VAL 177 N -1.85 2.37 0.36 -1.27 1.01 0.29 -1.72 120.40 119.59 2qyh s VAL 177 Ca 0.58 -1.97 0.09 0.00 0.00 0.00 0.00 61.98 60.68 2qyh s VAL 177 Cb -0.16 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 2qyh s VAL 177 CO 0.21 -0.34 0.01 -0.76 0.00 0.00 0.00 175.10 174.21 2qyh s LEU 178 N 1.03 2.92 0.26 3.92 1.43 -0.76 -2.29 118.68 125.19 2qyh s LEU 178 Ca 0.02 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 51.72 2qyh s LEU 178 Cb -0.20 -1.22 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 2qyh s LEU 178 CO -0.06 -0.29 1.00 -2.16 0.23 0.00 0.00 176.35 175.07 2qyh s PRO 179 N -3.71 4.74 0.24 1.29 0.04 -1.26 0.59 135.00 136.93 2qyh s PRO 179 Ca 0.35 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 2qyh s PRO 179 Cb 0.02 -3.19 -0.12 0.00 0.04 0.00 0.00 34.50 31.25 2qyh s PRO 179 CO 0.19 0.37 1.59 0.00 0.04 0.00 0.00 177.00 179.19 2qyh n ALA 180 N 1.27 2.12 0.00 8.56 0.00 -0.34 -0.99 120.51 131.13 2qyh n ALA 180 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2qyh n ALA 180 Cb 0.46 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2qyh n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyh n GLY 181 N 2.84 0.11 3.85 0.00 0.00 -1.26 -4.96 105.19 105.76 2qyh n GLY 181 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2qyh n GLY 181 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qyh s GLY 182 N -1.96 2.36 0.03 -0.02 0.00 -0.17 -4.99 107.32 102.58 2qyh s GLY 182 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 44.72 44.08 2qyh s GLY 182 CO 0.00 -0.02 0.77 -1.35 0.00 0.00 0.00 173.10 172.50 2qyh s SER 183 N -1.01 -0.47 0.43 1.64 1.04 -0.53 -4.88 113.70 109.91 2qyh s SER 183 Ca 0.20 0.12 0.21 0.00 0.48 0.00 0.00 55.95 56.96 2qyh s SER 183 Cb -0.15 0.47 0.95 0.00 0.10 0.00 0.00 66.02 67.39 2qyh s SER 183 CO 0.10 -0.71 1.86 0.07 0.98 0.00 0.00 173.24 175.54 2qyh h LYS 184 N 2.17 0.00 -0.25 4.02 2.10 -1.85 -1.22 116.57 121.55 2qyh h LYS 184 Ca -0.26 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.28 2qyh h LYS 184 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 2qyh h LYS 184 CO 0.34 0.28 -0.30 0.00 -2.00 0.00 0.00 179.45 177.78 2qyh h ALA 185 N 1.72 1.03 -0.60 0.07 0.00 -1.92 0.31 119.26 119.87 2qyh h ALA 185 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 2qyh h ALA 185 Cb 0.66 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qyh h ALA 185 CO 0.04 0.59 -0.02 1.49 0.00 0.00 0.00 179.25 181.35 2qyh h GLU 186 N 0.43 1.06 -0.44 0.00 4.57 -1.68 -0.53 114.58 117.99 2qyh h GLU 186 Ca 0.06 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 57.82 2qyh h GLU 186 Cb 0.74 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 2qyh h GLU 186 CO 0.06 1.05 -0.02 0.78 -1.18 0.00 0.00 179.01 179.69 2qyh h GLY 187 N 0.98 0.78 1.87 1.92 0.00 -0.62 -1.75 103.07 106.25 2qyh h GLY 187 Ca 0.17 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 2qyh h GLY 187 CO 0.03 0.48 -0.30 -2.22 0.00 0.00 0.00 176.54 174.54 2qyh h ILE 188 N 0.68 1.25 0.00 2.60 2.04 -0.38 -3.43 117.51 120.27 2qyh h ILE 188 Ca 0.13 -1.17 -0.38 0.00 1.00 0.00 0.00 64.86 64.44 2qyh h ILE 188 Cb 0.45 1.51 0.06 0.00 -0.74 0.00 0.00 36.82 38.10 2qyh h ILE 188 CO 0.02 0.35 1.70 -1.14 0.00 0.00 0.00 178.15 179.08 2qyh n ARG 189 N -4.14 0.73 0.00 2.37 0.63 -0.26 -4.61 116.66 111.38 2qyh n ARG 189 Ca -0.01 -1.11 0.00 0.00 -0.92 0.00 0.00 57.85 55.80 2qyh n ARG 189 Cb 0.38 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 30.86 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 5.61 0.00 -0.03 5.15 -5.35 -1.26 -4.67 119.36 118.81 2qyh n ILE 192 Ca 0.33 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.67 2qyh n ILE 192 Cb 0.23 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.03 2qyh n ILE 192 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2qyh h GLU 193 N 0.08 0.11 -0.54 6.28 5.08 -1.82 0.17 114.58 123.94 2qyh h GLU 193 Ca 0.00 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2qyh h GLU 193 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2qyh h GLU 193 CO 0.00 0.65 0.00 0.87 -1.00 0.00 0.00 179.01 179.53 2qyh h LYS 194 N -0.42 0.93 0.00 2.33 1.79 -1.97 -2.50 116.57 116.74 2qyh h LYS 194 Ca 0.00 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2qyh h LYS 194 Cb 0.65 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2qyh h LYS 194 CO 0.02 0.92 0.00 -0.07 -1.08 0.00 0.00 179.45 179.23 2qyh h LEU 195 N 0.86 0.00 -0.55 2.94 3.38 -1.96 -3.47 115.31 116.51 2qyh h LEU 195 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2qyh h LEU 195 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.27 2qyh h LEU 195 CO 0.02 0.00 -0.12 0.61 0.09 0.00 0.00 178.44 179.05 2qyh n GLY 196 N 0.75 0.55 3.57 0.83 0.00 -0.44 -5.02 105.19 105.42 2qyh n GLY 196 Ca 0.04 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.82 4.68 0.32 -0.61 1.01 0.49 -4.82 121.20 119.44 2qyh s ILE 197 Ca 0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 2qyh s ILE 197 Cb -0.04 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 39.19 2qyh s ILE 197 CO 0.10 0.40 1.24 -1.81 0.00 0.00 0.00 174.94 174.86 2qyh s ASP 198 N 0.93 6.93 0.37 3.58 -0.00 -1.26 -4.64 116.67 122.58 2qyh s ASP 198 Ca 0.04 2.55 0.14 0.00 -0.00 0.00 0.00 52.55 55.29 2qyh s ASP 198 Cb -0.14 -2.64 0.97 0.00 -0.00 0.00 0.00 42.92 41.11 2qyh s ASP 198 CO 0.03 -0.41 1.79 0.50 -0.00 0.00 0.00 175.17 177.08 2qyh h LYS 199 N 3.51 0.51 0.00 8.23 3.64 -1.95 0.24 116.57 130.75 2qyh h LYS 199 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2qyh h LYS 199 Cb 1.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2qyh h LYS 199 CO 0.66 0.34 0.00 0.36 -2.27 0.00 0.00 179.45 178.53 2qyh n LYS 200 N -4.65 0.00 -0.17 1.90 2.85 -1.26 -0.86 118.16 115.96 2qyh n LYS 200 Ca 0.23 0.44 0.05 0.00 -1.05 0.00 0.00 58.31 57.98 2qyh n LYS 200 Cb 0.73 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.74 2qyh n LYS 200 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2qyh n ASP 201 N -1.50 2.82 -4.62 -5.58 8.00 0.85 -4.85 116.55 111.67 2qyh n ASP 201 Ca 0.01 -2.30 -0.35 0.00 0.71 0.00 0.00 54.79 52.86 2qyh n ASP 201 Cb 0.04 -0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 2qyh n ASP 201 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qyh s VAL 202 N -1.53 4.78 0.21 2.53 1.01 -0.04 -2.07 120.40 125.29 2qyh s VAL 202 Ca 0.22 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.27 2qyh s VAL 202 Cb 0.15 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2qyh s VAL 202 CO 0.09 0.45 -0.21 -0.31 0.00 0.00 0.00 175.10 175.12 2qyh s TYR 203 N 0.50 2.14 -0.11 5.22 2.02 -0.17 -1.97 117.35 124.98 2qyh s TYR 203 Ca 0.03 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 2qyh s TYR 203 Cb -0.13 -1.02 0.04 0.00 -0.40 0.00 0.00 41.96 40.45 2qyh s TYR 203 CO 0.01 0.51 0.41 0.00 -1.57 0.00 0.00 175.55 174.91 2qyh s ALA 204 N -2.07 -1.03 -0.15 3.71 0.00 -0.92 -0.82 121.76 120.48 2qyh s ALA 204 Ca 0.22 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.16 2qyh s ALA 204 Cb -0.06 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2qyh s ALA 204 CO 0.10 -0.23 -0.20 -0.06 0.00 0.00 0.00 175.76 175.38 2qyh s PHE 205 N -0.32 2.73 0.19 0.00 0.08 -0.30 0.02 117.98 120.37 2qyh s PHE 205 Ca -0.05 -1.34 0.00 0.00 0.12 0.00 0.00 56.93 55.67 2qyh s PHE 205 Cb -0.03 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 2qyh s PHE 205 CO 0.02 -0.63 0.07 0.20 -0.10 0.00 0.00 175.22 174.79 2qyh s GLY 206 N 0.94 1.35 0.00 4.36 0.00 -0.05 -2.63 107.32 111.29 2qyh s GLY 206 Ca -0.04 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2qyh s GLY 206 CO -0.04 -1.48 0.00 1.34 0.00 0.00 0.00 173.10 172.92 2qyh n ASP 207 N -0.27 0.80 -4.88 1.64 2.03 -1.26 -4.32 116.55 110.29 2qyh n ASP 207 Ca -0.03 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.06 2qyh n ASP 207 Cb 0.65 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 41.09 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 -1.57 2.18 0.53 0.27 0.00 -1.26 -3.49 107.32 103.98 2qyh s GLY 208 Ca 0.00 -1.82 0.21 0.00 0.00 0.00 0.00 44.72 43.11 2qyh s GLY 208 CO 0.00 -1.75 2.09 1.41 0.00 0.00 0.00 173.10 174.84 2qyh h LEU 209 N 0.98 0.00 0.00 0.66 3.38 -1.98 0.24 115.31 118.59 2qyh h LEU 209 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qyh h LEU 209 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qyh h LEU 209 CO 0.58 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.65 2qyh n ASN 210 N -4.41 0.00 -0.36 -0.43 6.94 -1.26 -2.07 115.26 113.66 2qyh n ASN 210 Ca 0.02 0.02 0.11 0.00 -0.02 0.00 0.00 54.58 54.71 2qyh n ASN 210 Cb 0.31 -0.29 0.05 0.00 -2.36 0.00 0.00 39.78 37.49 2qyh n ASN 210 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2qyh n ASP 211 N -1.29 1.65 0.01 0.53 8.00 0.85 -4.56 116.55 121.75 2qyh n ASP 211 Ca 0.09 -1.29 -0.11 0.00 0.71 0.00 0.00 54.79 54.19 2qyh n ASP 211 Cb 0.15 0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 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 1.77 0.95 0.00 0.53 2.04 -1.46 -0.23 117.51 121.10 2qyh h ILE 212 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2qyh h ILE 212 Cb 0.67 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2qyh h ILE 212 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.36 2qyh n GLU 213 N -5.11 0.01 0.00 2.37 2.13 -1.26 -1.45 120.64 117.33 2qyh n GLU 213 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2qyh n GLU 213 Cb 0.06 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.64 2qyh n GLU 213 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2qyh n LEU 215 N 0.62 0.00 0.16 4.31 4.32 -0.10 -1.27 117.00 125.04 2qyh n LEU 215 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 2qyh n LEU 215 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2qyh n LEU 215 CO 0.00 0.00 0.55 0.77 -1.22 0.00 0.00 177.39 177.49 2qyh h SER 216 N 0.00 0.00 0.02 -1.43 4.64 -1.46 -3.31 113.55 112.01 2qyh h SER 216 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2qyh h SER 216 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2qyh h SER 216 CO 0.00 0.40 -0.75 0.15 -0.87 0.00 0.00 176.83 175.76 2qyh h PHE 217 N 0.00 0.72 -4.14 4.77 3.04 -1.43 -3.47 116.94 116.43 2qyh h PHE 217 Ca -0.00 -0.41 -0.49 0.00 3.98 0.00 0.00 57.97 61.05 2qyh h PHE 217 Cb 1.29 -0.08 0.14 0.00 2.56 0.00 0.00 35.95 39.87 2qyh h PHE 217 CO 0.00 1.24 0.27 0.14 -2.02 0.00 0.00 178.31 177.94 2qyh s VAL 218 N -3.14 2.84 0.14 1.41 -7.23 -1.25 -4.95 120.40 108.21 2qyh s VAL 218 Ca -0.12 0.27 -0.19 0.00 -1.81 0.00 0.00 61.98 60.13 2qyh s VAL 218 Cb 0.04 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2qyh s VAL 218 CO 0.85 -0.36 1.72 1.23 -0.31 0.00 0.00 175.10 178.23 2qyh h GLY 219 N -1.43 0.24 -7.42 2.32 0.00 -0.97 -3.38 103.07 92.43 2qyh h GLY 219 Ca -0.48 0.02 -0.60 0.00 0.00 0.00 0.00 47.33 46.28 2qyh h GLY 219 CO 0.54 -0.05 -0.76 -1.59 0.00 0.00 0.00 176.54 174.68 2qyh s THR 220 N -6.19 1.29 -0.05 4.70 2.01 -0.83 -4.98 115.64 111.60 2qyh s THR 220 Ca -0.13 -1.42 -0.18 0.00 0.31 0.00 0.00 61.69 60.27 2qyh s THR 220 Cb 0.11 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 2qyh s THR 220 CO 0.69 -0.43 0.51 -0.83 -0.69 0.00 0.00 174.62 173.87 2qyh s GLY 221 N 1.45 2.50 -0.16 4.40 0.00 -1.25 -2.16 107.32 112.10 2qyh s GLY 221 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.66 2qyh s GLY 221 CO -0.14 0.63 -0.18 0.14 0.00 0.00 0.00 173.10 173.55 2qyh s VAL 222 N -0.07 1.87 0.00 1.40 1.01 0.10 0.09 120.40 124.80 2qyh s VAL 222 Ca 0.27 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2qyh s VAL 222 Cb -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2qyh s VAL 222 CO 0.14 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.75 2qyh n ALA 223 N 4.58 0.00 0.03 5.51 0.00 -0.60 -0.87 120.51 129.16 2qyh n ALA 223 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 2qyh n ALA 223 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 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 0.29 -3.76 0.00 0.00 0.41 -0.56 103.07 99.45 2qyh h GLY 225 Ca 0.00 -0.75 -0.57 0.00 0.00 0.00 0.00 47.33 46.00 2qyh h GLY 225 CO 0.00 0.66 0.50 0.70 0.00 0.00 0.00 176.54 178.39 2qyh n ASN 226 N -4.10 5.89 -4.86 0.19 3.02 -1.26 -4.77 115.26 109.37 2qyh n ASN 226 Ca -0.18 -3.75 -0.31 0.00 -0.03 0.00 0.00 54.58 50.32 2qyh n ASN 226 Cb 0.82 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2qyh n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qyh s ALA 227 N -3.62 3.19 0.49 5.41 0.00 -1.26 -5.01 121.76 120.96 2qyh s ALA 227 Ca 0.59 -0.00 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 2qyh s ALA 227 Cb 0.48 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 2qyh s ALA 227 CO 0.02 -0.17 1.13 1.58 0.00 0.00 0.00 175.76 178.33 2qyh n HIS 228 N -1.54 1.55 0.27 0.00 -0.00 -1.23 -4.75 115.22 109.52 2qyh n HIS 228 Ca 0.05 0.49 0.13 0.00 0.46 0.00 0.00 57.72 58.84 2qyh n HIS 228 Cb 0.54 -2.27 0.77 0.00 -0.12 0.00 0.00 29.99 28.91 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 1.40 0.00 0.00 1.57 5.08 -1.96 -0.06 114.58 120.61 2qyh h GLU 229 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2qyh h GLU 229 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2qyh h GLU 229 CO 0.56 0.08 0.00 0.93 -1.00 0.00 0.00 179.01 179.58 2qyh h GLU 230 N 0.00 0.00 0.17 2.33 4.39 -2.00 -0.18 114.58 119.29 2qyh h GLU 230 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 2qyh h GLU 230 Cb 0.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2qyh h GLU 230 CO 0.01 0.00 -1.36 0.28 -1.16 0.00 0.00 179.01 176.78 2qyh h VAL 231 N 0.00 1.17 -0.03 3.13 2.07 -1.38 -3.31 116.25 117.91 2qyh h VAL 231 Ca 0.00 -2.52 -0.08 0.00 0.82 0.00 0.00 66.70 64.92 2qyh h VAL 231 Cb 0.58 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2qyh h VAL 231 CO 0.00 0.76 -0.34 0.11 0.02 0.00 0.00 177.57 178.12 2qyh h LYS 232 N -0.14 0.05 -0.54 1.57 1.57 -1.08 -2.79 116.57 115.22 2qyh h LYS 232 Ca -0.27 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2qyh h LYS 232 Cb 1.89 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.17 2qyh h LYS 232 CO 0.15 0.39 0.33 -0.09 -0.57 0.00 0.00 179.45 179.67 2qyh h ARG 233 N 0.05 0.64 -0.00 3.15 2.43 -1.12 -2.45 114.38 117.08 2qyh h ARG 233 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qyh h ARG 233 Cb 0.63 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2qyh h ARG 233 CO 0.05 0.42 -0.20 1.33 -1.51 0.00 0.00 179.97 180.06 2qyh n VAL 234 N -4.77 0.00 -2.57 0.20 0.24 -1.15 -4.88 118.33 105.40 2qyh n VAL 234 Ca 0.04 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 2qyh n VAL 234 Cb 0.07 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.90 3.38 -0.64 2.33 0.00 -0.92 -4.42 121.76 118.59 2qyh s ALA 235 Ca 0.16 0.80 0.25 0.00 0.00 0.00 0.00 51.96 53.17 2qyh s ALA 235 Cb 0.19 -3.29 0.64 0.00 0.00 0.00 0.00 23.12 20.65 2qyh s ALA 235 CO 0.58 -0.04 1.68 -0.44 0.00 0.00 0.00 175.76 177.55 2qyh h ASP 236 N 3.97 0.00 -3.68 0.00 3.32 -0.66 -3.45 116.42 115.92 2qyh h ASP 236 Ca -0.46 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 2qyh h ASP 236 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.54 2qyh h ASP 236 CO 0.67 0.01 0.04 0.12 -1.72 0.00 0.00 179.24 178.36 2qyh s PHE 237 N -3.14 -0.82 -0.20 4.55 2.19 -0.98 -4.99 117.98 114.58 2qyh s PHE 237 Ca 0.09 1.87 -0.05 0.00 0.33 0.00 0.00 56.93 59.17 2qyh s PHE 237 Cb 0.10 0.36 -0.02 0.00 -1.31 0.00 0.00 43.02 42.15 2qyh s PHE 237 CO 0.63 -0.40 -0.01 0.08 1.83 0.00 0.00 175.22 177.35 2qyh s VAL 238 N 0.75 3.80 0.31 3.12 1.01 -1.26 -1.57 120.40 126.57 2qyh s VAL 238 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2qyh s VAL 238 Cb -0.05 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.66 2qyh s VAL 238 CO -0.05 0.43 0.43 1.07 0.00 0.00 0.00 175.10 176.97 2qyh n THR 239 N 4.38 0.00 -1.35 3.92 5.66 -0.22 -4.92 114.28 121.75 2qyh n THR 239 Ca -0.17 -1.01 -0.29 0.00 -3.05 0.00 0.00 64.05 59.53 2qyh n THR 239 Cb 0.52 -0.77 0.16 0.00 -1.55 0.00 0.00 70.33 68.69 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 -3.42 0.73 0.93 1.09 1.02 -1.26 -0.57 119.74 118.27 2qyh s LYS 240 Ca 0.32 0.39 -0.10 0.00 0.02 0.00 0.00 55.97 56.60 2qyh s LYS 240 Cb -0.03 -1.78 0.15 0.00 -0.52 0.00 0.00 37.83 35.66 2qyh s LYS 240 CO 0.21 -2.50 1.12 -2.14 -0.92 0.00 0.00 175.35 171.12 2qyh s PRO 241 N -5.12 0.90 0.33 -1.68 0.02 -1.26 -1.39 135.00 126.81 2qyh s PRO 241 Ca 0.65 1.39 0.04 0.00 0.02 0.00 0.00 61.00 63.09 2qyh s PRO 241 Cb -0.17 -1.73 0.65 0.00 0.02 0.00 0.00 34.50 33.28 2qyh s PRO 241 CO 0.55 -2.66 1.93 -0.24 -0.33 0.00 0.00 177.00 176.26 2qyh h VAL 242 N -1.88 1.03 -0.24 3.83 3.04 -1.92 -1.03 116.25 119.09 2qyh h VAL 242 Ca -0.46 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2qyh h VAL 242 Cb 1.27 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2qyh h VAL 242 CO 0.44 0.16 0.00 -0.90 -1.01 0.00 0.00 177.57 176.26 2qyh n ASP 243 N -4.49 1.76 -1.77 3.17 5.75 -1.26 -3.67 116.55 116.04 2qyh n ASP 243 Ca 0.12 -2.10 -0.11 0.00 -0.01 0.00 0.00 54.79 52.69 2qyh n ASP 243 Cb 0.23 -0.29 0.07 0.00 -1.03 0.00 0.00 41.12 40.10 2qyh n ASP 243 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qyh n LYS 244 N 0.24 2.62 -2.81 0.11 4.76 -0.45 -4.92 118.16 117.71 2qyh n LYS 244 Ca 0.09 -3.73 -0.21 0.00 -2.87 0.00 0.00 58.31 51.59 2qyh n LYS 244 Cb 0.33 -1.88 0.02 0.00 -1.84 0.00 0.00 35.03 31.66 2qyh n LYS 244 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qyh n GLU 245 N -0.71 -3.81 -0.17 1.97 1.02 -1.24 -4.72 120.64 112.97 2qyh n GLU 245 Ca 0.30 0.93 -0.04 0.00 -0.02 0.00 0.00 57.16 58.33 2qyh n GLU 245 Cb 0.89 -5.69 0.03 0.00 -0.02 0.00 0.00 31.44 26.65 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 -0.94 0.18 0.83 0.62 0.00 -1.50 0.12 103.07 102.38 2qyh h GLY 246 Ca -0.51 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2qyh h GLY 246 CO 0.56 -0.22 0.01 -2.22 0.00 0.00 0.00 176.54 174.67 2qyh h ILE 247 N -0.09 1.25 -0.05 2.60 2.04 -1.84 -0.67 117.51 120.75 2qyh h ILE 247 Ca 0.24 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2qyh h ILE 247 Cb 0.47 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2qyh h ILE 247 CO -0.58 0.27 0.03 -0.25 0.00 0.00 0.00 178.15 177.61 2qyh h TRP 248 N 0.15 0.06 -0.16 1.37 2.91 -1.72 -0.97 115.95 117.59 2qyh h TRP 248 Ca 0.06 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.10 2qyh h TRP 248 Cb 0.39 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 2qyh h TRP 248 CO 0.03 0.04 0.05 -0.92 -1.03 0.00 0.00 178.44 176.61 2qyh h TYR 249 N 0.06 0.10 -0.07 2.65 5.03 -0.76 -0.84 116.97 123.14 2qyh h TYR 249 Ca 0.02 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.36 2qyh h TYR 249 Cb -0.01 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2qyh h TYR 249 CO -0.08 0.05 -0.06 0.78 -1.32 0.00 0.00 178.16 177.53 2qyh h GLY 250 N 0.13 0.00 1.65 1.82 0.00 -0.94 0.12 103.07 105.84 2qyh h GLY 250 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2qyh h GLY 250 CO -0.07 -0.07 0.22 1.41 0.00 0.00 0.00 176.54 178.02 2qyh h LEU 251 N -0.08 0.36 -0.09 3.11 3.38 -0.99 0.24 115.31 121.24 2qyh h LEU 251 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2qyh h LEU 251 Cb 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2qyh h LEU 251 CO -0.12 0.25 -0.06 0.50 0.09 0.00 0.00 178.44 179.10 2qyh h LYS 252 N 0.42 0.19 -0.31 1.13 1.63 -0.28 0.84 116.57 120.20 2qyh h LYS 252 Ca 0.13 -0.09 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 2qyh h LYS 252 Cb -0.00 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2qyh h LYS 252 CO -0.03 0.59 0.14 0.37 -3.45 0.00 0.00 179.45 177.07 2qyh h GLN 253 N -0.20 0.28 0.00 1.90 5.75 -0.04 0.41 115.11 123.21 2qyh h GLN 253 Ca 0.02 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2qyh h GLN 253 Cb 0.54 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.03 2qyh h GLN 253 CO 0.02 0.19 0.00 1.28 -2.65 0.00 0.00 178.83 177.66 2qyh n LEU 254 N -4.98 0.00 -1.90 -2.39 4.77 0.00 -4.86 117.00 107.64 2qyh n LEU 254 Ca -0.00 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 2qyh n LEU 254 Cb 0.09 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2qyh n LEU 254 CO 0.30 -0.13 -0.21 0.00 -1.33 0.00 0.00 177.39 176.01 2qyh n GLN 255 N -1.26 -1.34 0.13 3.23 6.02 0.13 -4.84 117.38 119.44 2qyh n GLN 255 Ca 0.08 0.83 0.12 0.00 -0.01 0.00 0.00 57.00 58.02 2qyh n GLN 255 Cb 0.12 -5.26 0.22 0.00 1.02 0.00 0.00 30.24 26.33 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 0.00 0.00 -0.56 1.08 3.38 -1.08 -3.49 115.31 114.64 2qyh h LEU 256 Ca -0.40 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2qyh h LEU 256 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2qyh h LEU 256 CO 0.48 0.02 0.00 -0.38 0.09 0.00 0.00 178.44 178.65