#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqh s PRO 2 N 0.00 4.28 0.00 -2.82 0.04 -1.26 -4.41 135.00 130.83 1aqh s PRO 2 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1aqh s PRO 2 Cb 0.00 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1aqh s PRO 2 CO 0.00 -0.56 0.00 0.25 0.04 0.00 0.00 177.00 176.73 1aqh n THR 3 N 4.48 0.00 -4.47 1.26 -2.24 -1.26 -4.96 114.28 107.10 1aqh n THR 3 Ca 0.13 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.67 1aqh n THR 3 Cb 0.43 0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 1aqh n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1aqh s THR 4 N -0.19 0.85 0.49 4.28 2.01 -1.26 -4.31 115.64 117.51 1aqh s THR 4 Ca 0.00 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1aqh s THR 4 Cb 0.00 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 1aqh s THR 4 CO 0.00 0.24 0.12 0.72 -0.69 0.00 0.00 174.62 175.01 1aqh s PHE 5 N -0.25 1.98 0.02 4.92 -0.71 -0.86 -0.01 117.98 123.07 1aqh s PHE 5 Ca 0.04 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.09 1aqh s PHE 5 Cb -0.04 -1.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.00 1aqh s PHE 5 CO -0.00 0.08 -0.03 0.54 -1.34 0.00 0.00 175.22 174.47 1aqh s VAL 6 N -2.80 0.14 -0.50 -2.49 0.11 -0.59 -0.94 120.40 113.33 1aqh s VAL 6 Ca 0.20 -0.69 -0.15 0.00 -2.93 0.00 0.00 61.98 58.41 1aqh s VAL 6 Cb 0.02 -0.24 0.10 0.00 -1.53 0.00 0.00 36.38 34.73 1aqh s VAL 6 CO 0.11 -0.35 0.44 -2.28 -3.33 0.00 0.00 175.10 169.69 1aqh s HIS 7 N -1.06 3.27 -1.28 1.54 2.46 -0.21 -0.42 115.29 119.59 1aqh s HIS 7 Ca -0.11 -1.20 -0.12 0.00 0.47 0.00 0.00 55.06 54.10 1aqh s HIS 7 Cb -0.07 -3.49 0.15 0.00 -0.13 0.00 0.00 32.58 29.04 1aqh s HIS 7 CO -0.01 -0.92 1.76 1.28 -2.47 0.00 0.00 174.74 174.38 1aqh n LEU 8 N 5.19 6.09 -4.61 8.88 4.77 -1.03 -2.04 117.00 134.24 1aqh n LEU 8 Ca -0.13 -4.49 -0.47 0.00 -0.03 0.00 0.00 56.01 50.89 1aqh n LEU 8 Cb 0.42 -1.56 -0.05 0.00 -2.33 0.00 0.00 43.42 39.90 1aqh n LEU 8 CO 0.50 1.06 1.65 0.33 -1.33 0.00 0.00 177.39 179.59 1aqh n PHE 9 N 4.97 2.12 -1.31 -1.77 7.35 -1.18 -2.29 117.46 125.34 1aqh n PHE 9 Ca 0.41 -0.01 -0.11 0.00 -0.76 0.00 0.00 57.45 56.98 1aqh n PHE 9 Cb 0.39 -2.67 -0.05 0.00 0.35 0.00 0.00 39.48 37.51 1aqh n PHE 9 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1aqh n GLU 10 N 7.53 -1.10 -2.80 -4.13 -0.58 -1.26 -4.85 120.64 113.45 1aqh n GLU 10 Ca 0.28 0.83 -0.41 0.00 -0.42 0.00 0.00 57.16 57.44 1aqh n GLU 10 Cb 0.33 -4.92 -0.04 0.00 -0.57 0.00 0.00 31.44 26.23 1aqh n GLU 10 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1aqh s TRP 11 N -2.21 3.74 0.82 -0.32 0.52 -0.97 -4.94 118.94 115.58 1aqh s TRP 11 Ca 0.00 1.67 -0.11 0.00 0.02 0.00 0.00 56.10 57.68 1aqh s TRP 11 Cb 0.00 -3.01 0.08 0.00 -1.15 0.00 0.00 33.47 29.39 1aqh s TRP 11 CO 0.00 0.15 1.09 0.54 0.02 0.00 0.00 176.95 178.75 1aqh s ASN 12 N 0.32 4.27 0.50 2.95 2.20 -1.26 -4.80 114.94 119.11 1aqh s ASN 12 Ca 0.46 1.42 0.20 0.00 -0.94 0.00 0.00 52.86 54.01 1aqh s ASN 12 Cb -0.22 -2.15 1.28 0.00 -2.00 0.00 0.00 41.25 38.16 1aqh s ASN 12 CO 0.27 -2.13 2.07 -0.50 -2.94 0.00 0.00 177.10 173.88 1aqh h TRP 13 N -1.20 0.00 -0.14 1.54 -0.00 -1.64 -2.17 115.95 112.34 1aqh h TRP 13 Ca -0.47 0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 58.23 1aqh h TRP 13 Cb 1.27 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.43 1aqh h TRP 13 CO 0.47 0.12 -0.64 1.96 -0.00 0.00 0.00 178.44 180.35 1aqh h GLN 14 N 0.00 0.68 -0.45 0.49 4.20 -1.88 -1.92 115.11 116.23 1aqh h GLN 14 Ca -0.00 -0.55 -0.08 0.00 0.06 0.00 0.00 58.65 58.08 1aqh h GLN 14 Cb 0.24 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1aqh h GLN 14 CO 0.02 1.16 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.86 1aqh h ASP 15 N 0.37 0.74 -0.22 1.46 3.32 -1.88 -2.39 116.42 117.82 1aqh h ASP 15 Ca -0.04 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1aqh h ASP 15 Cb 1.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1aqh h ASP 15 CO 0.13 0.83 -0.16 0.58 -1.72 0.00 0.00 179.24 178.91 1aqh h VAL 16 N 0.71 1.31 -0.15 -1.35 2.07 -1.38 -0.45 116.25 117.01 1aqh h VAL 16 Ca 0.13 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1aqh h VAL 16 Cb 0.49 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1aqh h VAL 16 CO 0.03 0.39 -0.07 0.00 0.02 0.00 0.00 177.57 177.94 1aqh h ALA 17 N 0.69 0.07 -0.59 1.67 0.00 -1.23 -0.37 119.26 119.49 1aqh h ALA 17 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1aqh h ALA 17 Cb 0.68 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1aqh h ALA 17 CO 0.04 -0.51 0.26 1.96 0.00 0.00 0.00 179.25 181.01 1aqh h GLN 18 N -0.05 0.87 -0.58 0.00 4.20 -1.44 -2.66 115.11 115.46 1aqh h GLN 18 Ca 0.08 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1aqh h GLN 18 Cb 0.17 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1aqh h GLN 18 CO -0.18 0.72 0.36 1.49 -0.67 0.00 0.00 178.83 180.55 1aqh h GLU 19 N 0.81 0.77 -0.46 1.46 4.57 -0.66 -0.37 114.58 120.71 1aqh h GLU 19 Ca 0.20 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 1aqh h GLU 19 Cb 0.15 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1aqh h GLU 19 CO -0.02 0.53 0.17 0.00 -1.18 0.00 0.00 179.01 178.50 1aqh h GLU 21 N 0.60 -0.00 0.05 0.00 5.08 -1.11 -1.71 114.58 117.48 1aqh h GLU 21 Ca 0.15 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.28 1aqh h GLU 21 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1aqh h GLU 21 CO -0.01 0.54 -1.04 1.96 -1.00 0.00 0.00 179.01 179.46 1aqh h GLN 22 N -0.55 0.16 0.00 2.33 4.20 -1.16 -3.43 115.11 116.67 1aqh h GLN 22 Ca -0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1aqh h GLN 22 Cb 0.54 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1aqh h GLN 22 CO 0.00 1.06 0.00 0.98 -0.67 0.00 0.00 178.83 180.20 1aqh n TYR 23 N -3.52 -0.89 -0.20 2.96 9.36 -0.52 -4.78 117.16 119.56 1aqh n TYR 23 Ca -0.04 0.16 0.01 0.00 3.32 0.00 0.00 57.90 61.35 1aqh n TYR 23 Cb 0.92 0.21 0.11 0.00 -0.63 0.00 0.00 39.34 39.95 1aqh n TYR 23 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1aqh h LEU 24 N 0.00 0.02 0.36 2.98 3.38 -1.31 -0.66 115.31 120.08 1aqh h LEU 24 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1aqh h LEU 24 Cb 0.00 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1aqh h LEU 24 CO 0.00 0.02 -0.17 1.23 0.09 0.00 0.00 178.44 179.61 1aqh h GLY 25 N 0.27 -0.50 1.59 0.83 0.00 -1.54 -1.14 103.07 102.57 1aqh h GLY 25 Ca 0.32 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.87 1aqh h GLY 25 CO -0.40 -0.18 0.19 -2.55 0.00 0.00 0.00 176.54 173.60 1aqh h PRO 26 N -0.78 0.22 -0.00 4.80 0.11 -1.76 -2.10 132.00 132.48 1aqh h PRO 26 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1aqh h PRO 26 Cb 0.52 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1aqh h PRO 26 CO 0.08 0.14 -0.22 1.63 -0.21 0.00 0.00 178.00 179.42 1aqh n LYS 27 N -4.49 0.35 -0.55 1.05 4.76 -0.26 -4.98 118.16 114.04 1aqh n LYS 27 Ca 0.03 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1aqh n LYS 27 Cb 0.20 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1aqh n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aqh n GLY 28 N 1.40 0.73 3.76 0.72 0.00 -0.74 -4.70 105.19 106.36 1aqh n GLY 28 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1aqh n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqh s TYR 29 N -2.07 2.92 0.13 1.61 1.51 -0.51 -4.58 117.35 116.36 1aqh s TYR 29 Ca 0.00 1.19 -0.01 0.00 -1.01 0.00 0.00 57.07 57.25 1aqh s TYR 29 Cb 0.00 -3.82 -0.11 0.00 -0.11 0.00 0.00 41.96 37.92 1aqh s TYR 29 CO 0.00 -2.48 1.30 0.00 -1.11 0.00 0.00 175.55 173.26 1aqh h ALA 30 N 3.94 0.37 -2.55 3.71 0.00 -0.76 -3.44 119.26 120.53 1aqh h ALA 30 Ca -0.48 -0.77 0.14 0.00 0.00 0.00 0.00 54.91 53.80 1aqh h ALA 30 Cb 1.23 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1aqh h ALA 30 CO 0.70 0.92 0.43 0.00 0.00 0.00 0.00 179.25 181.31 1aqh s ALA 31 N -3.06 -1.48 -0.09 0.00 0.00 -1.26 -1.64 121.76 114.23 1aqh s ALA 31 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1aqh s ALA 31 Cb 0.09 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1aqh s ALA 31 CO 0.85 -1.04 -0.11 0.08 0.00 0.00 0.00 175.76 175.54 1aqh s VAL 32 N -3.15 1.15 -0.31 0.00 1.01 -0.20 -1.55 120.40 117.36 1aqh s VAL 32 Ca 0.14 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 1aqh s VAL 32 Cb -0.03 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1aqh s VAL 32 CO 0.04 0.37 0.70 -1.58 0.00 0.00 0.00 175.10 174.64 1aqh s GLN 33 N 1.04 3.91 0.33 2.72 0.74 0.44 -0.80 119.66 128.04 1aqh s GLN 33 Ca -0.07 0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.78 1aqh s GLN 33 Cb -0.15 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1aqh s GLN 33 CO -0.01 -0.63 0.50 0.14 -0.55 0.00 0.00 175.29 174.74 1aqh s VAL 34 N 2.77 4.65 0.64 1.34 -7.23 -0.79 -2.47 120.40 119.32 1aqh s VAL 34 Ca 0.28 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.56 1aqh s VAL 34 Cb -0.14 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 1aqh s VAL 34 CO 0.12 -0.34 1.07 -0.44 -0.31 0.00 0.00 175.10 175.20 1aqh s SER 35 N -4.09 5.50 -0.39 4.85 0.01 -1.26 -3.63 113.70 114.69 1aqh s SER 35 Ca 0.41 1.79 -0.43 0.00 1.31 0.00 0.00 55.95 59.04 1aqh s SER 35 Cb -0.09 -2.53 -0.17 0.00 0.21 0.00 0.00 66.02 63.44 1aqh s SER 35 CO 0.33 -1.36 1.79 -2.65 0.41 0.00 0.00 173.24 171.76 1aqh n PRO 36 N -2.46 0.61 0.00 12.44 -0.02 -1.26 -4.70 135.00 139.61 1aqh n PRO 36 Ca 0.09 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.92 1aqh n PRO 36 Cb 0.53 -1.86 0.53 0.00 -0.02 0.00 0.00 33.50 32.68 1aqh n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aqh n PRO 37 N 5.45 0.82 -2.19 0.52 -0.04 -1.26 -4.85 135.00 133.45 1aqh n PRO 37 Ca 0.33 -0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 63.16 1aqh n PRO 37 Cb 0.05 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.09 1aqh n PRO 37 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1aqh s ASN 38 N -2.44 4.72 0.23 3.54 4.22 -1.26 -3.32 114.94 120.62 1aqh s ASN 38 Ca 0.28 0.43 -0.30 0.00 -2.14 0.00 0.00 52.86 51.13 1aqh s ASN 38 Cb 0.20 -1.04 -0.10 0.00 1.28 0.00 0.00 41.25 41.59 1aqh s ASN 38 CO 0.48 -1.67 1.45 -0.70 -2.04 0.00 0.00 177.10 174.62 1aqh s GLU 39 N -5.28 4.27 0.27 3.55 2.12 0.24 -4.49 118.70 119.37 1aqh s GLU 39 Ca 0.61 2.29 0.03 0.00 0.36 0.00 0.00 54.97 58.26 1aqh s GLU 39 Cb -0.10 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1aqh s GLU 39 CO 0.45 -0.44 0.17 -3.38 -0.54 0.00 0.00 175.26 171.52 1aqh s HIS 40 N 0.20 1.48 0.69 5.30 -3.43 -1.26 -1.29 115.29 116.98 1aqh s HIS 40 Ca 0.61 -1.43 -0.15 0.00 -0.80 0.00 0.00 55.06 53.28 1aqh s HIS 40 Cb -0.42 -0.72 0.02 0.00 -1.43 0.00 0.00 32.58 30.03 1aqh s HIS 40 CO 0.41 -0.63 1.16 0.96 -2.00 0.00 0.00 174.74 174.64 1aqh s ILE 41 N -3.77 2.75 0.75 -5.38 -4.36 -1.03 -1.19 121.20 108.96 1aqh s ILE 41 Ca 0.38 0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 61.02 1aqh s ILE 41 Cb 0.05 -2.91 0.04 0.00 1.25 0.00 0.00 42.46 40.90 1aqh s ILE 41 CO 0.18 -0.20 1.08 0.42 0.24 0.00 0.00 174.94 176.66 1aqh s THR 42 N -2.13 3.55 0.00 8.37 -4.23 -1.13 -4.74 115.64 115.33 1aqh s THR 42 Ca 0.71 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 1aqh s THR 42 Cb -0.25 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1aqh s THR 42 CO 0.43 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1aqh n GLY 43 N -1.97 3.84 0.05 3.99 0.00 -1.26 -4.97 105.19 104.88 1aqh n GLY 43 Ca 0.07 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1aqh n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqh n SER 44 N 0.00 0.65 -4.74 1.61 3.41 -1.26 -4.91 113.62 108.38 1aqh n SER 44 Ca 0.00 0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.32 1aqh n SER 44 Cb 0.00 0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1aqh n SER 44 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1aqh s GLN 45 N -3.14 2.76 0.30 4.33 1.11 -1.26 -3.33 119.66 120.43 1aqh s GLN 45 Ca 0.07 2.14 0.02 0.00 0.01 0.00 0.00 55.36 57.60 1aqh s GLN 45 Cb 0.14 -2.00 0.47 0.00 -1.01 0.00 0.00 33.01 30.61 1aqh s GLN 45 CO 0.71 -1.46 1.79 0.11 0.01 0.00 0.00 175.29 176.46 1aqh h TRP 46 N 0.88 0.62 0.00 0.91 5.08 -1.69 -2.96 115.95 118.78 1aqh h TRP 46 Ca -0.51 -0.09 0.00 0.00 1.08 0.00 0.00 58.89 59.37 1aqh h TRP 46 Cb 1.32 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1aqh h TRP 46 CO 0.43 0.65 0.00 -2.67 -1.28 0.00 0.00 178.44 175.57 1aqh n TRP 47 N -4.21 0.00 0.24 0.12 4.27 -1.26 -2.81 117.44 113.78 1aqh n TRP 47 Ca 0.01 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.72 1aqh n TRP 47 Cb 0.31 -0.12 0.58 0.00 -1.36 0.00 0.00 31.31 30.72 1aqh n TRP 47 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 1aqh h THR 48 N 0.00 0.68 0.00 -1.67 1.35 -1.86 -2.00 112.91 109.41 1aqh h THR 48 Ca 0.00 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 1aqh h THR 48 Cb 0.07 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1aqh h THR 48 CO 0.00 0.19 -0.03 0.03 -0.25 0.00 0.00 175.52 175.46 1aqh h ARG 49 N 0.00 0.00 -0.66 4.72 2.47 -1.76 -2.83 114.38 116.32 1aqh h ARG 49 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1aqh h ARG 49 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1aqh h ARG 49 CO 0.03 0.03 0.00 0.66 0.56 0.00 0.00 179.97 181.25 1aqh n TYR 50 N -3.42 1.63 -3.67 3.04 4.01 -0.75 -4.62 117.16 113.38 1aqh n TYR 50 Ca -0.02 -0.57 -0.29 0.00 -0.16 0.00 0.00 57.90 56.86 1aqh n TYR 50 Cb 0.15 -0.41 -0.12 0.00 -0.31 0.00 0.00 39.34 38.64 1aqh n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1aqh s GLN 51 N -2.35 1.30 0.64 -0.72 -0.21 -1.07 -4.88 119.66 112.37 1aqh s GLN 51 Ca 0.44 -2.09 -0.16 0.00 0.02 0.00 0.00 55.36 53.56 1aqh s GLN 51 Cb 0.33 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 1aqh s GLN 51 CO 0.14 -1.20 1.14 -2.14 -2.12 0.00 0.00 175.29 171.10 1aqh s PRO 52 N 0.20 2.81 0.00 2.91 0.02 -1.26 -2.47 135.00 137.20 1aqh s PRO 52 Ca 0.20 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1aqh s PRO 52 Cb -0.19 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1aqh s PRO 52 CO -0.04 -1.27 0.00 0.28 -0.33 0.00 0.00 177.00 175.65 1aqh n VAL 53 N -2.19 0.00 -3.61 3.83 0.31 -0.41 -1.17 118.33 115.09 1aqh n VAL 53 Ca 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1aqh n VAL 53 Cb 0.51 -0.64 0.02 0.00 -0.91 0.00 0.00 33.84 32.82 1aqh n VAL 53 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1aqh n SER 54 N -2.31 -1.69 -1.31 4.52 3.41 -1.21 -4.31 113.62 110.73 1aqh n SER 54 Ca 0.00 -2.15 0.08 0.00 -0.26 0.00 0.00 58.87 56.54 1aqh n SER 54 Cb 0.49 2.81 0.31 0.00 -0.26 0.00 0.00 64.21 67.56 1aqh n SER 54 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1aqh n TYR 55 N -0.41 1.34 -2.46 7.33 4.01 -1.26 -3.32 117.16 122.39 1aqh n TYR 55 Ca -0.06 -0.74 -0.41 0.00 -0.16 0.00 0.00 57.90 56.53 1aqh n TYR 55 Cb 0.44 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1aqh n TYR 55 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1aqh s GLU 56 N -2.41 4.58 -1.58 -0.72 2.02 -1.26 -4.76 118.70 114.56 1aqh s GLU 56 Ca 0.46 1.79 -0.11 0.00 0.02 0.00 0.00 54.97 57.12 1aqh s GLU 56 Cb 0.34 -3.24 -0.06 0.00 0.10 0.00 0.00 34.13 31.27 1aqh s GLU 56 CO 0.15 0.07 2.77 1.28 0.02 0.00 0.00 175.26 179.55 1aqh n LEU 57 N 2.05 8.26 -3.74 1.80 4.77 -1.26 -0.59 117.00 128.29 1aqh n LEU 57 Ca 0.02 -4.30 -0.30 0.00 -0.03 0.00 0.00 56.01 51.40 1aqh n LEU 57 Cb 0.45 -1.59 -0.15 0.00 -2.33 0.00 0.00 43.42 39.81 1aqh n LEU 57 CO 0.54 1.81 -0.34 -1.58 -1.33 0.00 0.00 177.39 176.50 1aqh s GLN 58 N 2.45 0.73 0.06 3.23 2.00 -1.21 -1.14 119.66 125.78 1aqh s GLN 58 Ca 0.64 -1.01 0.01 0.00 -2.00 0.00 0.00 55.36 52.99 1aqh s GLN 58 Cb 0.17 -2.01 -0.00 0.00 0.80 0.00 0.00 33.01 31.96 1aqh s GLN 58 CO -0.07 -0.95 0.03 -1.13 -0.50 0.00 0.00 175.29 172.68 1aqh n SER 59 N 4.86 0.42 0.26 6.67 3.41 -0.63 -3.77 113.62 124.83 1aqh n SER 59 Ca -0.03 -1.35 0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1aqh n SER 59 Cb 0.42 0.22 0.69 0.00 -0.26 0.00 0.00 64.21 65.28 1aqh n SER 59 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1aqh h ARG 60 N 0.00 0.00 0.00 4.33 2.43 -1.89 -2.14 114.38 117.11 1aqh h ARG 60 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1aqh h ARG 60 Cb 0.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1aqh h ARG 60 CO 0.07 0.13 -0.08 0.78 -1.51 0.00 0.00 179.97 179.36 1aqh h GLY 61 N 0.88 0.00 0.00 2.80 0.00 -1.90 -3.47 103.07 101.38 1aqh h GLY 61 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aqh h GLY 61 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1aqh n GLY 62 N 0.64 0.37 4.02 4.60 0.00 -0.80 -1.57 105.19 112.44 1aqh n GLY 62 Ca 0.02 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 1aqh n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqh s ASN 63 N -2.71 4.95 0.22 1.61 2.20 -1.26 -1.61 114.94 118.34 1aqh s ASN 63 Ca 0.00 -0.63 -0.07 0.00 -0.94 0.00 0.00 52.86 51.22 1aqh s ASN 63 Cb 0.00 0.06 0.32 0.00 -2.00 0.00 0.00 41.25 39.63 1aqh s ASN 63 CO 0.00 -1.42 1.78 -0.09 -2.94 0.00 0.00 177.10 174.43 1aqh h ARG 64 N 0.02 0.59 -0.54 3.55 2.43 -1.53 0.11 114.38 119.01 1aqh h ARG 64 Ca -0.33 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1aqh h ARG 64 Cb 1.28 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1aqh h ARG 64 CO 0.41 0.39 0.20 0.00 -1.51 0.00 0.00 179.97 179.46 1aqh h ALA 65 N 1.42 0.71 -0.31 2.80 0.00 -1.95 -0.10 119.26 121.82 1aqh h ALA 65 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1aqh h ALA 65 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1aqh h ALA 65 CO -0.26 0.34 -0.19 1.96 0.00 0.00 0.00 179.25 181.10 1aqh h GLN 66 N 0.74 0.58 -0.19 0.00 4.20 -1.82 -0.92 115.11 117.70 1aqh h GLN 66 Ca 0.18 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1aqh h GLN 66 Cb 0.23 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1aqh h GLN 66 CO -0.01 0.74 0.01 0.35 -0.67 0.00 0.00 178.83 179.25 1aqh h PHE 67 N 0.52 0.36 -0.70 2.96 3.57 -0.59 -0.99 116.94 122.07 1aqh h PHE 67 Ca 0.08 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1aqh h PHE 67 Cb 0.63 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1aqh h PHE 67 CO 0.02 0.52 0.24 0.82 -2.23 0.00 0.00 178.31 177.68 1aqh h ILE 68 N 0.10 1.25 -0.55 1.41 2.04 -0.87 -2.04 117.51 118.85 1aqh h ILE 68 Ca 0.06 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1aqh h ILE 68 Cb 0.37 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1aqh h ILE 68 CO 0.01 0.33 0.29 -0.78 0.00 0.00 0.00 178.15 178.00 1aqh h ASP 69 N 1.03 0.71 -0.73 1.72 3.58 -1.05 -1.86 116.42 119.81 1aqh h ASP 69 Ca 0.23 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1aqh h ASP 69 Cb 0.26 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 1aqh h ASP 69 CO -0.01 0.61 0.45 -0.03 -2.88 0.00 0.00 179.24 177.38 1aqh h MET 70 N 0.75 0.99 -0.64 0.28 4.05 -0.82 -1.47 114.93 118.06 1aqh h MET 70 Ca 0.19 -0.08 -0.05 0.00 -0.28 0.00 0.00 59.70 59.48 1aqh h MET 70 Cb 0.08 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1aqh h MET 70 CO -0.03 0.69 0.21 0.28 0.23 0.00 0.00 176.91 178.29 1aqh h VAL 71 N 1.00 1.25 0.07 -5.77 2.07 -1.07 -1.52 116.25 112.28 1aqh h VAL 71 Ca 0.26 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1aqh h VAL 71 Cb -0.05 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1aqh h VAL 71 CO -0.05 0.32 -0.03 0.78 0.02 0.00 0.00 177.57 178.61 1aqh h ASN 72 N 0.93 -0.08 -0.52 0.57 2.35 -1.09 -1.70 115.58 116.04 1aqh h ASN 72 Ca 0.21 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1aqh h ASN 72 Cb 0.28 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1aqh h ASN 72 CO -0.01 0.15 0.18 0.03 -1.65 0.00 0.00 177.43 176.14 1aqh h ARG 73 N -0.31 0.79 -0.58 0.81 3.08 -1.26 -1.21 114.38 115.71 1aqh h ARG 73 Ca -0.01 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1aqh h ARG 73 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1aqh h ARG 73 CO 0.02 0.72 0.20 0.00 -1.07 0.00 0.00 179.97 179.83 1aqh h SER 75 N 0.81 0.84 0.24 0.00 0.87 -1.10 0.05 113.55 115.25 1aqh h SER 75 Ca 0.19 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1aqh h SER 75 Cb 0.26 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1aqh h SER 75 CO -0.01 0.60 -0.27 0.00 -0.53 0.00 0.00 176.83 176.62 1aqh h ALA 76 N 1.28 1.49 -0.00 6.23 0.00 -0.95 -1.19 119.26 126.12 1aqh h ALA 76 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1aqh h ALA 76 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1aqh h ALA 76 CO -0.07 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 1aqh n ALA 77 N -2.49 2.70 -0.99 0.00 0.00 -0.60 -4.93 120.51 114.21 1aqh n ALA 77 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1aqh n ALA 77 Cb 0.33 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1aqh n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqh n GLY 78 N 1.28 0.66 3.16 0.00 0.00 -0.45 -4.55 105.19 105.30 1aqh n GLY 78 Ca 0.14 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1aqh n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqh s VAL 79 N -2.00 2.07 0.74 1.61 1.01 -0.10 -4.89 120.40 118.85 1aqh s VAL 79 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1aqh s VAL 79 Cb 0.00 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1aqh s VAL 79 CO 0.00 0.55 1.10 -1.81 0.00 0.00 0.00 175.10 174.94 1aqh s ASP 80 N 0.90 5.10 -0.10 3.32 1.01 -0.65 -3.23 116.67 123.01 1aqh s ASP 80 Ca -0.05 1.15 0.03 0.00 0.71 0.00 0.00 52.55 54.39 1aqh s ASP 80 Cb -0.15 -1.90 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 1aqh s ASP 80 CO -0.04 -1.57 -0.23 -0.63 0.21 0.00 0.00 175.17 172.92 1aqh s ILE 81 N -3.32 2.19 -0.16 0.77 -1.09 -1.26 -1.03 121.20 117.29 1aqh s ILE 81 Ca 0.59 -0.97 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1aqh s ILE 81 Cb -0.12 -1.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.90 1aqh s ILE 81 CO 0.52 0.56 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.39 1aqh s TYR 82 N 0.34 2.89 -0.21 3.97 2.02 0.02 -2.22 117.35 124.15 1aqh s TYR 82 Ca -0.18 -0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 55.71 1aqh s TYR 82 Cb -0.18 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 1aqh s TYR 82 CO 0.09 -0.30 0.15 0.08 -1.57 0.00 0.00 175.55 173.99 1aqh s VAL 83 N 0.72 5.39 -0.37 0.71 1.01 -0.01 -1.88 120.40 125.97 1aqh s VAL 83 Ca -0.04 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1aqh s VAL 83 Cb -0.15 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1aqh s VAL 83 CO 0.02 0.41 1.51 -0.62 0.00 0.00 0.00 175.10 176.42 1aqh s ASP 84 N 0.58 6.26 -0.20 3.32 -1.08 -1.24 -1.30 116.67 123.01 1aqh s ASP 84 Ca 0.08 1.03 -0.06 0.00 -0.52 0.00 0.00 52.55 53.09 1aqh s ASP 84 Cb -0.12 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 1aqh s ASP 84 CO 0.00 -1.46 0.02 -0.89 0.52 0.00 0.00 175.17 173.36 1aqh s THR 85 N 5.69 4.19 -0.73 1.71 2.01 0.48 -4.37 115.64 124.61 1aqh s THR 85 Ca 0.66 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 1aqh s THR 85 Cb -0.17 -2.89 0.10 0.00 0.01 0.00 0.00 72.50 69.55 1aqh s THR 85 CO 0.32 0.43 0.96 -0.76 -0.69 0.00 0.00 174.62 174.88 1aqh s LEU 86 N 0.86 4.85 0.01 4.42 2.01 -1.26 -1.00 118.68 128.58 1aqh s LEU 86 Ca 0.02 -1.45 0.23 0.00 0.01 0.00 0.00 54.13 52.94 1aqh s LEU 86 Cb -0.14 -2.38 0.13 0.00 0.01 0.00 0.00 46.19 43.80 1aqh s LEU 86 CO 0.02 -1.24 1.13 2.30 1.01 0.00 0.00 176.35 179.57 1aqh n ILE 87 N 5.67 0.05 -0.06 -0.59 -5.35 -1.26 -4.54 119.36 113.28 1aqh n ILE 87 Ca 0.04 -0.07 -0.14 0.00 -0.27 0.00 0.00 62.75 62.31 1aqh n ILE 87 Cb 0.46 0.49 -0.14 0.00 -1.74 0.00 0.00 39.64 38.71 1aqh n ILE 87 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1aqh n ASN 88 N -1.63 1.22 -3.21 7.28 5.15 -1.26 -4.91 115.26 117.90 1aqh n ASN 88 Ca 0.04 0.14 -0.13 0.00 -0.60 0.00 0.00 54.58 54.03 1aqh n ASN 88 Cb 0.36 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.51 1aqh n ASN 88 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1aqh s HIS 89 N -2.54 0.81 0.41 1.20 -3.43 -1.26 -1.72 115.29 108.76 1aqh s HIS 89 Ca -0.17 -1.15 0.03 0.00 -0.80 0.00 0.00 55.06 52.97 1aqh s HIS 89 Cb 0.07 0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 1aqh s HIS 89 CO 0.76 -1.23 0.07 -1.64 -2.00 0.00 0.00 174.74 170.71 1aqh s MET 90 N -2.93 1.93 0.78 -0.38 -1.94 -0.75 -4.62 119.30 111.39 1aqh s MET 90 Ca 0.27 -2.16 -0.14 0.00 -1.71 0.00 0.00 55.69 51.94 1aqh s MET 90 Cb -0.02 -0.97 0.05 0.00 2.01 0.00 0.00 34.83 35.90 1aqh s MET 90 CO 0.18 -0.35 1.03 0.00 -0.01 0.00 0.00 175.02 175.87 1aqh n ALA 91 N -0.94 -0.35 -2.47 3.03 0.00 -0.32 -2.52 120.51 116.94 1aqh n ALA 91 Ca -0.08 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.78 1aqh n ALA 91 Cb 0.66 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1aqh n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqh s ALA 92 N -2.02 3.58 0.00 0.00 0.00 -1.26 -3.96 121.76 118.10 1aqh s ALA 92 Ca 0.72 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1aqh s ALA 92 Cb -0.31 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1aqh s ALA 92 CO 0.52 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1aqh n GLY 93 N -1.17 3.72 3.49 0.00 0.00 -1.26 -4.86 105.19 105.10 1aqh n GLY 93 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1aqh n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aqh s SER 94 N -4.00 -0.08 0.00 1.61 1.04 -1.26 -3.31 113.70 107.70 1aqh s SER 94 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1aqh s SER 94 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1aqh s SER 94 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1aqh n GLY 95 N -0.32 -0.09 3.27 7.32 0.00 -0.95 -4.98 105.19 109.43 1aqh n GLY 95 Ca -0.05 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 1aqh n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aqh s THR 96 N -3.96 1.60 0.48 2.61 2.01 -1.26 -2.19 115.64 114.93 1aqh s THR 96 Ca 0.00 -1.53 0.09 0.00 0.31 0.00 0.00 61.69 60.56 1aqh s THR 96 Cb 0.00 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.06 1aqh s THR 96 CO 0.00 -0.11 0.65 -0.83 -0.69 0.00 0.00 174.62 173.64 1aqh s GLY 97 N -1.94 1.87 0.00 4.40 0.00 0.38 -2.84 107.32 109.19 1aqh s GLY 97 Ca 0.05 -1.85 0.16 0.00 0.00 0.00 0.00 44.72 43.08 1aqh s GLY 97 CO 0.04 -1.56 1.39 -1.30 0.00 0.00 0.00 173.10 171.66 1aqh n THR 98 N -2.00 0.21 -0.04 0.90 -2.24 -0.33 -1.78 114.28 109.00 1aqh n THR 98 Ca 0.11 0.05 0.01 0.00 -2.27 0.00 0.00 64.05 61.96 1aqh n THR 98 Cb 0.60 -0.80 0.04 0.00 -2.10 0.00 0.00 70.33 68.06 1aqh n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqh n ALA 99 N -1.11 2.05 -0.02 6.98 0.00 -1.26 -4.76 120.51 122.39 1aqh n ALA 99 Ca 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1aqh n ALA 99 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1aqh n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqh n GLY 100 N -0.24 1.01 3.77 0.00 0.00 -0.73 -5.05 105.19 103.93 1aqh n GLY 100 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1aqh n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aqh s ASN 101 N -2.71 6.94 0.22 1.61 0.01 -1.26 -4.70 114.94 115.05 1aqh s ASN 101 Ca 0.00 2.38 0.03 0.00 -0.71 0.00 0.00 52.86 54.56 1aqh s ASN 101 Cb 0.00 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1aqh s ASN 101 CO 0.00 -0.38 0.37 -0.44 -1.51 0.00 0.00 177.10 175.14 1aqh s SER 102 N -0.87 6.33 0.16 -1.22 0.01 -1.26 -0.47 113.70 116.37 1aqh s SER 102 Ca 0.49 0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.79 1aqh s SER 102 Cb -0.33 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.01 1aqh s SER 102 CO 0.43 -0.06 0.45 0.72 0.41 0.00 0.00 173.24 175.19 1aqh s PHE 103 N -1.93 -0.15 0.00 2.43 -0.71 -0.93 -4.44 117.98 112.25 1aqh s PHE 103 Ca 0.36 -0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.07 1aqh s PHE 103 Cb -0.10 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1aqh s PHE 103 CO 0.30 -0.79 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 1aqh n GLY 104 N -0.28 2.75 3.68 1.99 0.00 -0.75 -2.23 105.19 110.35 1aqh n GLY 104 Ca -0.13 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1aqh n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aqh n ASN 105 N 0.00 -2.80 -2.02 1.61 5.03 -1.21 -1.69 115.26 114.18 1aqh n ASN 105 Ca 0.00 -0.89 -0.17 0.00 0.87 0.00 0.00 54.58 54.39 1aqh n ASN 105 Cb 0.00 -3.85 -0.04 0.00 -1.02 0.00 0.00 39.78 34.87 1aqh n ASN 105 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1aqh n LYS 106 N -4.15 -1.70 -4.04 3.52 5.02 -1.26 -4.75 118.16 110.80 1aqh n LYS 106 Ca -0.22 0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 56.62 1aqh n LYS 106 Cb 0.65 -5.37 -0.15 0.00 -0.02 0.00 0.00 35.03 30.13 1aqh n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1aqh s SER 107 N -2.20 3.87 0.37 4.39 0.15 -0.68 -2.44 113.70 117.16 1aqh s SER 107 Ca 0.00 -0.82 0.05 0.00 0.70 0.00 0.00 55.95 55.87 1aqh s SER 107 Cb 0.00 -1.58 -0.06 0.00 -1.71 0.00 0.00 66.02 62.67 1aqh s SER 107 CO 0.00 -0.08 0.04 -0.36 1.20 0.00 0.00 173.24 174.05 1aqh s PHE 108 N 1.29 2.13 0.47 3.44 0.40 -0.13 -1.81 117.98 123.78 1aqh s PHE 108 Ca 0.01 -0.89 0.28 0.00 -0.60 0.00 0.00 56.93 55.74 1aqh s PHE 108 Cb -0.16 -1.47 1.58 0.00 0.51 0.00 0.00 43.02 43.49 1aqh s PHE 108 CO -0.08 0.15 2.13 -1.00 0.70 0.00 0.00 175.22 177.13 1aqh h PRO 109 N 1.92 0.00 -0.00 0.24 0.13 -1.78 -3.18 132.00 129.33 1aqh h PRO 109 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1aqh h PRO 109 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1aqh h PRO 109 CO 0.73 0.08 -0.00 0.44 -0.23 0.00 0.00 178.00 179.01 1aqh n ILE 110 N -3.71 0.00 -3.94 -3.56 -5.35 -1.26 -5.03 119.36 96.51 1aqh n ILE 110 Ca -0.02 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 61.86 1aqh n ILE 110 Cb 0.19 1.07 -0.12 0.00 -1.74 0.00 0.00 39.64 39.04 1aqh n ILE 110 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1aqh s TYR 111 N -0.32 0.16 0.38 4.28 2.02 -1.20 -5.08 117.35 117.58 1aqh s TYR 111 Ca 0.04 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1aqh s TYR 111 Cb 0.03 -0.12 -0.03 0.00 -0.40 0.00 0.00 41.96 41.44 1aqh s TYR 111 CO 0.05 -0.14 0.27 -1.54 -1.57 0.00 0.00 175.55 172.62 1aqh s SER 112 N -0.99 4.93 0.60 2.29 1.04 -1.26 -0.95 113.70 119.35 1aqh s SER 112 Ca -0.11 -0.74 0.30 0.00 0.48 0.00 0.00 55.95 55.89 1aqh s SER 112 Cb -0.07 -0.70 1.74 0.00 0.10 0.00 0.00 66.02 67.10 1aqh s SER 112 CO -0.01 -0.47 2.14 -0.65 0.98 0.00 0.00 173.24 175.23 1aqh h PRO 113 N 1.27 0.00 0.00 4.02 0.11 -1.77 -0.89 132.00 134.73 1aqh h PRO 113 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1aqh h PRO 113 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1aqh h PRO 113 CO 0.61 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.44 1aqh n GLN 114 N -3.71 0.68 -0.29 1.05 3.00 -1.26 -3.01 117.38 113.84 1aqh n GLN 114 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.10 1aqh n GLN 114 Cb 0.27 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.28 1aqh n GLN 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1aqh n ASP 115 N -1.15 3.28 -4.39 1.08 8.00 -0.34 -4.92 116.55 118.11 1aqh n ASP 115 Ca 0.18 -1.99 -0.20 0.00 0.71 0.00 0.00 54.79 53.50 1aqh n ASP 115 Cb 0.17 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 1aqh n ASP 115 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1aqh s PHE 116 N -1.23 1.88 0.60 1.24 0.40 -1.16 -1.04 117.98 118.67 1aqh s PHE 116 Ca 0.41 -0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1aqh s PHE 116 Cb 0.22 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1aqh s PHE 116 CO 0.29 0.41 1.04 -1.01 0.70 0.00 0.00 175.22 176.64 1aqh s HIS 117 N -2.89 3.22 0.47 0.36 3.76 0.20 -4.68 115.29 115.73 1aqh s HIS 117 Ca 0.25 1.45 -0.24 0.00 -0.15 0.00 0.00 55.06 56.37 1aqh s HIS 117 Cb -0.00 -2.88 -0.07 0.00 1.11 0.00 0.00 32.58 30.73 1aqh s HIS 117 CO 0.09 -0.90 1.36 -1.83 -0.85 0.00 0.00 174.74 172.62 1aqh s GLU 118 N -4.45 3.58 0.17 1.40 1.03 -1.26 -4.75 118.70 114.42 1aqh s GLU 118 Ca 0.60 2.27 -0.31 0.00 0.03 0.00 0.00 54.97 57.56 1aqh s GLU 118 Cb -0.13 -2.54 -0.09 0.00 -0.80 0.00 0.00 34.13 30.57 1aqh s GLU 118 CO 0.42 -0.85 1.42 -1.12 -1.33 0.00 0.00 175.26 173.80 1aqh s SER 119 N -0.75 6.76 0.05 0.83 0.01 -1.26 -4.85 113.70 114.49 1aqh s SER 119 Ca 0.63 2.46 -0.26 0.00 1.31 0.00 0.00 55.95 60.10 1aqh s SER 119 Cb -0.41 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.29 1aqh s SER 119 CO 0.51 -0.67 0.61 0.00 0.41 0.00 0.00 173.24 174.10 1aqh s THR 121 N -2.37 5.47 -0.32 0.00 2.01 -1.26 -0.30 115.64 118.86 1aqh s THR 121 Ca -0.06 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 1aqh s THR 121 Cb -0.01 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1aqh s THR 121 CO -0.01 0.55 0.98 -0.63 -0.69 0.00 0.00 174.62 174.83 1aqh s ILE 122 N -0.50 4.59 0.26 1.82 1.01 -0.95 -4.82 121.20 122.61 1aqh s ILE 122 Ca 0.12 1.54 -0.07 0.00 0.00 0.00 0.00 60.65 62.24 1aqh s ILE 122 Cb -0.12 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 1aqh s ILE 122 CO 0.02 -0.42 0.55 0.20 0.00 0.00 0.00 174.94 175.28 1aqh s ASN 123 N 1.66 6.52 0.35 3.58 0.02 -1.26 -4.85 114.94 120.96 1aqh s ASN 123 Ca 0.41 0.80 0.07 0.00 -1.02 0.00 0.00 52.86 53.12 1aqh s ASN 123 Cb -0.13 -2.18 0.75 0.00 0.02 0.00 0.00 41.25 39.71 1aqh s ASN 123 CO 0.15 -0.14 1.90 -1.13 0.02 0.00 0.00 177.10 177.90 1aqh h ASN 124 N 2.10 0.70 0.86 -1.22 -0.73 -2.03 0.12 115.58 115.39 1aqh h ASN 124 Ca -0.47 0.03 0.00 0.00 1.87 0.00 0.00 56.30 57.72 1aqh h ASN 124 Cb 1.18 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1aqh h ASN 124 CO 0.68 0.40 0.00 -1.54 -0.37 0.00 0.00 177.43 176.60 1aqh n SER 125 N -4.53 0.71 -0.02 1.15 3.41 -1.26 -2.79 113.62 110.30 1aqh n SER 125 Ca 0.15 0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 59.40 1aqh n SER 125 Cb 0.36 -0.81 0.26 0.00 -0.26 0.00 0.00 64.21 63.75 1aqh n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1aqh h ASP 126 N 0.00 0.53 -0.93 4.04 3.32 -1.31 -2.97 116.42 119.10 1aqh h ASP 126 Ca 0.00 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.03 1aqh h ASP 126 Cb 0.43 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1aqh h ASP 126 CO 0.00 0.64 0.60 1.88 -1.72 0.00 0.00 179.24 180.64 1aqh h TYR 127 N 0.53 1.03 0.00 4.55 0.05 -1.63 0.55 116.97 122.04 1aqh h TYR 127 Ca 0.11 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.77 1aqh h TYR 127 Cb 0.41 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1aqh h TYR 127 CO 0.02 0.46 -0.83 0.78 -1.05 0.00 0.00 178.16 177.54 1aqh h GLY 128 N 0.94 0.00 -1.24 3.88 0.00 -1.72 0.38 103.07 105.31 1aqh h GLY 128 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1aqh h GLY 128 CO -0.20 0.00 -0.54 1.16 0.00 0.00 0.00 176.54 176.97 1aqh n ASN 129 N -3.17 0.11 -3.05 0.19 0.23 -1.04 -3.96 115.26 104.56 1aqh n ASN 129 Ca -0.01 -1.95 -0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1aqh n ASN 129 Cb 0.81 -0.20 -0.02 0.00 -2.08 0.00 0.00 39.78 38.29 1aqh n ASN 129 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1aqh s ASP 130 N -1.07 -0.81 0.51 0.53 -1.08 0.16 -5.00 116.67 109.91 1aqh s ASP 130 Ca 0.04 -1.56 0.21 0.00 -0.52 0.00 0.00 52.55 50.72 1aqh s ASP 130 Cb 0.05 1.49 1.32 0.00 -1.46 0.00 0.00 42.92 44.31 1aqh s ASP 130 CO -0.02 -0.13 2.09 0.08 0.52 0.00 0.00 175.17 177.72 1aqh h ARG 131 N 5.98 0.00 -0.21 4.34 0.11 -1.90 -2.27 114.38 120.43 1aqh h ARG 131 Ca 0.08 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.14 1aqh h ARG 131 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1aqh h ARG 131 CO 0.10 0.10 0.05 -0.92 0.10 0.00 0.00 179.97 179.40 1aqh h TYR 132 N 0.00 0.35 -0.43 4.08 3.20 -1.94 -1.54 116.97 120.70 1aqh h TYR 132 Ca -0.00 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 1aqh h TYR 132 Cb 0.19 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1aqh h TYR 132 CO 0.00 0.45 -0.18 0.00 -1.64 0.00 0.00 178.16 176.79 1aqh h ARG 133 N 0.16 0.82 -0.90 1.82 3.08 -1.82 0.04 114.38 117.58 1aqh h ARG 133 Ca 0.07 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1aqh h ARG 133 Cb 0.27 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1aqh h ARG 133 CO 0.00 0.94 0.57 0.28 -1.07 0.00 0.00 179.97 180.68 1aqh h VAL 134 N 0.73 1.24 0.00 2.04 2.07 -1.29 -0.95 116.25 120.09 1aqh h VAL 134 Ca 0.11 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1aqh h VAL 134 Cb 0.69 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1aqh h VAL 134 CO 0.05 0.24 -0.92 0.00 0.02 0.00 0.00 177.57 176.97 1aqh n GLN 135 N -4.42 0.08 -0.00 1.57 6.02 -0.59 -4.48 117.38 115.56 1aqh n GLN 135 Ca 0.10 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.09 1aqh n GLN 135 Cb 0.04 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 1aqh n GLN 135 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1aqh n ASN 136 N -1.62 2.73 -4.91 1.08 3.02 -0.01 -4.67 115.26 110.88 1aqh n ASN 136 Ca 0.04 -0.21 -0.21 0.00 -0.03 0.00 0.00 54.58 54.17 1aqh n ASN 136 Cb 0.36 1.09 0.06 0.00 -0.61 0.00 0.00 39.78 40.68 1aqh n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aqh s GLU 138 N -4.77 4.55 -0.50 0.00 2.02 0.58 -4.80 118.70 115.79 1aqh s GLU 138 Ca 0.60 1.21 -0.24 0.00 0.02 0.00 0.00 54.97 56.56 1aqh s GLU 138 Cb -0.08 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.78 1aqh s GLU 138 CO 0.39 0.15 0.89 -1.17 0.02 0.00 0.00 175.26 175.54 1aqh s LEU 139 N 0.36 4.12 -1.58 1.80 2.96 -1.26 -2.24 118.68 122.85 1aqh s LEU 139 Ca 0.44 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 1aqh s LEU 139 Cb -0.21 -2.98 0.07 0.00 0.50 0.00 0.00 46.19 43.58 1aqh s LEU 139 CO 0.25 -1.09 0.48 1.33 -1.32 0.00 0.00 176.35 176.00 1aqh n VAL 140 N 6.25 -1.71 -0.94 1.68 0.24 -1.26 -1.36 118.33 121.23 1aqh n VAL 140 Ca 0.03 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1aqh n VAL 140 Cb 0.48 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 1aqh n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aqh n GLY 141 N -1.83 0.74 3.71 7.63 0.00 -1.26 -5.01 105.19 109.18 1aqh n GLY 141 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1aqh n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqh s LEU 142 N 0.00 4.37 -0.13 0.99 1.02 -0.46 -4.47 118.68 120.00 1aqh s LEU 142 Ca 0.00 2.08 -0.34 0.00 0.02 0.00 0.00 54.13 55.89 1aqh s LEU 142 Cb 0.00 -3.58 -0.11 0.00 0.02 0.00 0.00 46.19 42.52 1aqh s LEU 142 CO 0.00 -0.51 1.96 0.00 0.02 0.00 0.00 176.35 177.82 1aqh n ALA 143 N 3.93 1.01 -2.56 4.21 0.00 -1.05 -4.09 120.51 121.96 1aqh n ALA 143 Ca 0.09 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 1aqh n ALA 143 Cb 0.45 -2.56 -0.05 0.00 0.00 0.00 0.00 19.45 17.30 1aqh n ALA 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1aqh s ASP 144 N 4.96 6.45 0.46 0.00 2.15 -1.26 -1.81 116.67 127.63 1aqh s ASP 144 Ca 0.96 -0.01 -0.25 0.00 0.43 0.00 0.00 52.55 53.69 1aqh s ASP 144 Cb -0.67 -2.43 -0.08 0.00 -0.30 0.00 0.00 42.92 39.45 1aqh s ASP 144 CO 0.49 -1.02 1.38 -0.76 -0.17 0.00 0.00 175.17 175.09 1aqh s LEU 145 N 3.61 4.07 -1.02 -1.34 1.43 -0.70 -0.63 118.68 124.12 1aqh s LEU 145 Ca 0.34 2.81 -0.21 0.00 -1.03 0.00 0.00 54.13 56.04 1aqh s LEU 145 Cb -0.11 -4.02 0.09 0.00 0.03 0.00 0.00 46.19 42.18 1aqh s LEU 145 CO 0.24 -1.18 1.35 -0.62 0.23 0.00 0.00 176.35 176.37 1aqh s ASP 146 N -0.69 6.60 0.00 2.29 2.15 -0.20 -4.56 116.67 122.26 1aqh s ASP 146 Ca 0.63 -1.81 0.15 0.00 0.43 0.00 0.00 52.55 51.94 1aqh s ASP 146 Cb -0.41 -2.50 0.87 0.00 -0.30 0.00 0.00 42.92 40.58 1aqh s ASP 146 CO 0.52 -1.29 1.31 0.35 -0.17 0.00 0.00 175.17 175.89 1aqh n THR 147 N 6.23 0.00 0.37 1.71 -2.24 -1.26 -2.10 114.28 117.00 1aqh n THR 147 Ca 0.31 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 1aqh n THR 147 Cb 0.50 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 1aqh n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqh n ALA 148 N -0.89 3.24 -2.08 6.98 0.00 -1.26 -4.75 120.51 121.75 1aqh n ALA 148 Ca 0.11 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1aqh n ALA 148 Cb 0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1aqh n ALA 148 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aqh s SER 149 N -4.22 6.85 0.39 0.00 0.15 -0.89 -4.94 113.70 111.05 1aqh s SER 149 Ca -0.00 2.38 0.08 0.00 0.70 0.00 0.00 55.95 59.11 1aqh s SER 149 Cb 0.14 -2.60 0.79 0.00 -1.71 0.00 0.00 66.02 62.64 1aqh s SER 149 CO 0.84 -0.59 1.95 -1.13 1.20 0.00 0.00 173.24 175.51 1aqh h ASN 150 N 6.00 0.33 -0.14 5.45 -1.24 -1.91 -1.13 115.58 122.93 1aqh h ASN 150 Ca -0.44 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.49 1aqh h ASN 150 Cb 1.21 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1aqh h ASN 150 CO 0.81 0.39 -0.06 0.22 -1.29 0.00 0.00 177.43 177.50 1aqh h TYR 151 N 0.35 0.32 -0.65 0.67 3.20 -1.94 -1.93 116.97 116.99 1aqh h TYR 151 Ca 0.08 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1aqh h TYR 151 Cb 0.24 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1aqh h TYR 151 CO 0.01 0.61 0.39 0.28 -1.64 0.00 0.00 178.16 177.80 1aqh h VAL 152 N -0.06 1.19 -0.32 1.81 2.07 -1.73 -1.62 116.25 117.60 1aqh h VAL 152 Ca 0.03 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1aqh h VAL 152 Cb 0.52 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1aqh h VAL 152 CO 0.02 0.20 0.17 1.56 0.02 0.00 0.00 177.57 179.54 1aqh h GLN 153 N 0.89 0.45 -0.95 1.57 4.20 -1.22 -2.14 115.11 117.91 1aqh h GLN 153 Ca 0.23 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1aqh h GLN 153 Cb -0.01 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1aqh h GLN 153 CO -0.04 0.39 0.63 -0.91 -0.67 0.00 0.00 178.83 178.22 1aqh h ASN 154 N 0.39 1.08 -0.30 1.46 2.35 -1.07 -0.66 115.58 118.83 1aqh h ASN 154 Ca 0.11 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1aqh h ASN 154 Cb 0.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1aqh h ASN 154 CO -0.02 0.77 0.07 0.74 -1.65 0.00 0.00 177.43 177.34 1aqh h THR 155 N 1.27 1.22 -0.34 2.81 2.02 -1.06 -0.03 112.91 118.81 1aqh h THR 155 Ca 0.36 -0.74 -0.16 0.00 0.77 0.00 0.00 66.41 66.63 1aqh h THR 155 Cb -0.12 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1aqh h THR 155 CO -0.09 0.25 -0.42 0.40 0.37 0.00 0.00 175.52 176.03 1aqh h ILE 156 N 0.33 1.28 -0.46 3.11 2.04 -1.25 -2.81 117.51 119.76 1aqh h ILE 156 Ca 0.09 -1.60 -0.05 0.00 1.00 0.00 0.00 64.86 64.30 1aqh h ILE 156 Cb 0.30 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1aqh h ILE 156 CO 0.00 0.53 0.06 0.00 0.00 0.00 0.00 178.15 178.74 1aqh h ALA 157 N 0.73 1.26 -0.67 1.87 0.00 -1.06 -1.63 119.26 119.76 1aqh h ALA 157 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1aqh h ALA 157 Cb 1.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1aqh h ALA 157 CO 0.10 0.51 0.18 0.00 0.00 0.00 0.00 179.25 180.04 1aqh h ALA 158 N 1.39 0.88 -0.04 0.00 0.00 -0.92 -0.88 119.26 119.69 1aqh h ALA 158 Ca 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1aqh h ALA 158 Cb 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1aqh h ALA 158 CO 0.01 0.58 0.02 -0.92 0.00 0.00 0.00 179.25 178.93 1aqh h TYR 159 N 0.99 0.07 -0.78 0.00 3.20 -1.18 -1.56 116.97 117.71 1aqh h TYR 159 Ca 0.21 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1aqh h TYR 159 Cb 0.34 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1aqh h TYR 159 CO 0.03 0.21 0.50 0.82 -1.64 0.00 0.00 178.16 178.07 1aqh h ILE 160 N -0.09 1.13 -0.31 1.81 2.04 -1.18 -2.08 117.51 118.83 1aqh h ILE 160 Ca 0.01 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1aqh h ILE 160 Cb 0.17 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1aqh h ILE 160 CO -0.00 0.18 -0.24 0.78 0.00 0.00 0.00 178.15 178.87 1aqh h ASN 161 N 0.98 0.61 -0.57 1.72 2.35 -1.07 -1.87 115.58 117.72 1aqh h ASN 161 Ca 0.31 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1aqh h ASN 161 Cb -0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1aqh h ASN 161 CO -0.11 0.84 0.00 0.44 -1.65 0.00 0.00 177.43 176.96 1aqh h ASP 162 N 0.53 1.00 -0.35 5.81 3.32 -0.95 -1.92 116.42 123.87 1aqh h ASP 162 Ca 0.08 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 1aqh h ASP 162 Cb 0.70 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1aqh h ASP 162 CO 0.05 1.05 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.48 1aqh h LEU 163 N 0.94 0.74 -0.74 1.55 3.38 -1.14 -2.28 115.31 117.76 1aqh h LEU 163 Ca 0.17 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1aqh h LEU 163 Cb 0.54 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1aqh h LEU 163 CO 0.03 0.86 -0.13 1.56 0.09 0.00 0.00 178.44 180.84 1aqh h GLN 164 N 0.70 0.82 -0.27 1.13 4.20 -1.11 -0.77 115.11 119.81 1aqh h GLN 164 Ca 0.13 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1aqh h GLN 164 Cb 0.54 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1aqh h GLN 164 CO 0.03 0.91 0.00 0.00 -0.67 0.00 0.00 178.83 179.10 1aqh h ALA 165 N 1.11 1.52 0.00 3.87 0.00 -0.96 -0.25 119.26 124.55 1aqh h ALA 165 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1aqh h ALA 165 Cb 0.63 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aqh h ALA 165 CO 0.04 0.35 -0.14 0.82 0.00 0.00 0.00 179.25 180.32 1aqh h ILE 166 N 0.39 0.30 0.00 0.00 2.04 -1.10 -3.47 117.51 115.66 1aqh h ILE 166 Ca 0.09 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1aqh h ILE 166 Cb 0.25 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1aqh h ILE 166 CO 0.01 0.14 0.00 0.61 0.00 0.00 0.00 178.15 178.91 1aqh n GLY 167 N 0.53 1.02 3.72 5.37 0.00 -0.10 -4.84 105.19 110.88 1aqh n GLY 167 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1aqh n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqh s VAL 168 N -1.84 2.48 -0.97 1.61 1.01 -0.35 -4.81 120.40 117.54 1aqh s VAL 168 Ca 0.00 0.35 0.20 0.00 0.00 0.00 0.00 61.98 62.54 1aqh s VAL 168 Cb 0.00 -3.23 -0.22 0.00 0.00 0.00 0.00 36.38 32.93 1aqh s VAL 168 CO 0.00 0.03 0.87 0.29 0.00 0.00 0.00 175.10 176.29 1aqh n LYS 169 N 3.68 0.19 -3.83 2.72 4.01 -0.94 -4.26 118.16 119.73 1aqh n LYS 169 Ca 0.13 -0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.84 1aqh n LYS 169 Cb 0.38 -1.47 -0.04 0.00 -0.51 0.00 0.00 35.03 33.39 1aqh n LYS 169 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1aqh s GLY 170 N -2.96 0.08 -0.02 0.72 0.00 -1.06 -2.11 107.32 101.98 1aqh s GLY 170 Ca 0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 1aqh s GLY 170 CO 0.85 -0.35 0.07 -1.36 0.00 0.00 0.00 173.10 172.31 1aqh s PHE 171 N -3.92 -0.03 -0.25 1.90 0.40 0.41 -0.83 117.98 115.65 1aqh s PHE 171 Ca 0.13 0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.47 1aqh s PHE 171 Cb -0.01 -0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.48 1aqh s PHE 171 CO 0.02 -0.08 0.10 0.50 0.70 0.00 0.00 175.22 176.45 1aqh s ARG 172 N -0.27 3.76 -0.58 0.44 3.52 -0.42 -1.38 118.95 124.01 1aqh s ARG 172 Ca -0.03 -0.43 -0.21 0.00 -0.13 0.00 0.00 55.73 54.93 1aqh s ARG 172 Cb -0.02 -3.39 0.07 0.00 -1.56 0.00 0.00 34.95 30.05 1aqh s ARG 172 CO 0.00 -0.14 0.79 -0.06 -0.81 0.00 0.00 175.30 175.08 1aqh s PHE 173 N 1.51 2.89 0.37 5.12 0.08 0.10 -0.39 117.98 127.66 1aqh s PHE 173 Ca 0.06 -0.60 -0.27 0.00 0.12 0.00 0.00 56.93 56.24 1aqh s PHE 173 Cb -0.15 -3.97 -0.09 0.00 -0.57 0.00 0.00 43.02 38.24 1aqh s PHE 173 CO 0.05 -1.33 1.25 0.34 -0.10 0.00 0.00 175.22 175.43 1aqh s ASP 174 N 3.27 6.59 -1.47 1.36 2.15 -0.17 -2.03 116.67 126.38 1aqh s ASP 174 Ca 0.18 2.56 -0.10 0.00 0.43 0.00 0.00 52.55 55.61 1aqh s ASP 174 Cb -0.19 -2.63 0.06 0.00 -0.30 0.00 0.00 42.92 39.85 1aqh s ASP 174 CO 0.11 -0.64 0.93 0.00 -0.17 0.00 0.00 175.17 175.39 1aqh n ALA 175 N 0.42 -1.47 0.16 3.66 0.00 -1.26 -4.07 120.51 117.95 1aqh n ALA 175 Ca 0.02 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.64 1aqh n ALA 175 Cb 0.44 -3.94 0.50 0.00 0.00 0.00 0.00 19.45 16.44 1aqh n ALA 175 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1aqh h SER 176 N -2.08 0.17 -0.04 0.00 0.02 -1.51 -2.21 113.55 107.89 1aqh h SER 176 Ca -0.59 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1aqh h SER 176 Cb 1.37 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 1aqh h SER 176 CO 0.64 0.21 0.04 0.50 -1.14 0.00 0.00 176.83 177.08 1aqh h LYS 177 N 0.19 0.00 -0.35 3.45 3.64 -1.91 -1.23 116.57 120.36 1aqh h LYS 177 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1aqh h LYS 177 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1aqh h LYS 177 CO 0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1aqh n HIS 178 N -4.04 0.43 -4.39 1.91 8.25 -0.83 -4.68 115.22 111.86 1aqh n HIS 178 Ca -0.02 -0.20 -0.22 0.00 -0.26 0.00 0.00 57.72 57.01 1aqh n HIS 178 Cb 0.13 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.05 1aqh n HIS 178 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1aqh s VAL 179 N -1.62 0.86 0.25 1.59 1.01 -0.47 -4.43 120.40 117.60 1aqh s VAL 179 Ca 0.19 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 1aqh s VAL 179 Cb 0.11 -0.82 -0.13 0.00 0.00 0.00 0.00 36.38 35.54 1aqh s VAL 179 CO 0.12 0.29 1.48 0.00 0.00 0.00 0.00 175.10 177.00 1aqh n ALA 180 N 3.92 1.58 -0.20 5.51 0.00 -1.26 -4.85 120.51 125.21 1aqh n ALA 180 Ca -0.24 0.40 0.17 0.00 0.00 0.00 0.00 53.44 53.77 1aqh n ALA 180 Cb 0.51 -2.34 0.50 0.00 0.00 0.00 0.00 19.45 18.12 1aqh n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqh h ALA 181 N 4.51 2.14 -0.02 0.00 0.00 -1.89 0.93 119.26 124.93 1aqh h ALA 181 Ca -0.46 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1aqh h ALA 181 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1aqh h ALA 181 CO 0.78 -0.38 -0.38 0.66 0.00 0.00 0.00 179.25 179.93 1aqh h SER 182 N 0.43 0.05 -0.38 0.00 4.64 -1.93 -1.03 113.55 115.32 1aqh h SER 182 Ca 0.41 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1aqh h SER 182 Cb 0.97 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1aqh h SER 182 CO -0.15 0.43 -0.34 0.44 -0.87 0.00 0.00 176.83 176.35 1aqh h ASP 183 N 0.04 0.97 -0.36 4.97 3.32 -1.14 -2.43 116.42 121.79 1aqh h ASP 183 Ca 0.00 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 1aqh h ASP 183 Cb 0.70 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1aqh h ASP 183 CO 0.05 1.21 -0.12 0.40 -1.72 0.00 0.00 179.24 179.07 1aqh h ILE 184 N 0.77 1.26 -0.70 0.35 2.04 -1.04 -1.51 117.51 118.68 1aqh h ILE 184 Ca 0.07 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 1aqh h ILE 184 Cb 0.92 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1aqh h ILE 184 CO 0.09 0.41 0.21 1.56 0.00 0.00 0.00 178.15 180.42 1aqh h GLN 185 N 0.73 1.07 -0.39 2.37 4.20 -1.09 -0.30 115.11 121.71 1aqh h GLN 185 Ca 0.12 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1aqh h GLN 185 Cb 0.61 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1aqh h GLN 185 CO 0.04 0.92 -0.07 0.77 -0.67 0.00 0.00 178.83 179.82 1aqh h SER 186 N 1.03 0.74 -0.18 1.46 0.02 -1.25 -2.72 113.55 112.65 1aqh h SER 186 Ca 0.23 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1aqh h SER 186 Cb 0.30 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1aqh h SER 186 CO -0.01 0.91 0.03 0.25 -1.14 0.00 0.00 176.83 176.87 1aqh h LEU 187 N 0.55 -0.00 -2.15 5.07 5.85 -0.92 -2.68 115.31 121.03 1aqh h LEU 187 Ca 0.10 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1aqh h LEU 187 Cb 0.57 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1aqh h LEU 187 CO 0.03 0.03 -0.03 0.24 -0.34 0.00 0.00 178.44 178.36 1aqh h MET 188 N 0.10 0.00 0.00 1.25 2.86 -0.94 0.06 114.93 118.27 1aqh h MET 188 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1aqh h MET 188 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1aqh h MET 188 CO -0.11 0.03 0.00 0.00 1.06 0.00 0.00 176.91 177.89 1aqh h ALA 189 N 1.97 1.00 -0.00 6.32 0.00 -1.15 -1.99 119.26 125.41 1aqh h ALA 189 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aqh h ALA 189 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1aqh h ALA 189 CO 0.00 0.00 -0.99 1.63 0.00 0.00 0.00 179.25 179.89 1aqh n LYS 190 N -2.44 0.01 -3.05 0.00 5.02 -0.00 -4.95 118.16 112.76 1aqh n LYS 190 Ca 0.01 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1aqh n LYS 190 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1aqh n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aqh s VAL 191 N -2.99 5.02 0.21 -0.18 1.01 -0.75 -4.91 120.40 117.81 1aqh s VAL 191 Ca 0.08 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 1aqh s VAL 191 Cb 0.16 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1aqh s VAL 191 CO 0.87 0.27 1.44 0.20 0.00 0.00 0.00 175.10 177.88 1aqh s ASN 192 N 0.68 6.69 0.86 3.32 0.01 -1.26 -4.82 114.94 120.42 1aqh s ASN 192 Ca 0.37 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 55.10 1aqh s ASN 192 Cb -0.18 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.87 1aqh s ASN 192 CO 0.18 -0.70 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 1aqh n GLY 193 N 2.66 1.35 2.43 0.66 0.00 -1.26 -4.49 105.19 106.55 1aqh n GLY 193 Ca 0.09 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1aqh n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aqh s SER 194 N -4.00 1.64 0.92 1.61 1.04 -1.26 -5.12 113.70 108.52 1aqh s SER 194 Ca 0.00 -2.78 -0.12 0.00 0.48 0.00 0.00 55.95 53.53 1aqh s SER 194 Cb 0.00 -0.31 0.14 0.00 0.10 0.00 0.00 66.02 65.95 1aqh s SER 194 CO 0.00 -0.20 1.13 -2.16 0.98 0.00 0.00 173.24 172.99 1aqh s PRO 195 N 0.36 1.10 -0.00 4.02 0.04 -1.26 -4.99 135.00 134.26 1aqh s PRO 195 Ca 0.29 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1aqh s PRO 195 Cb -0.03 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1aqh s PRO 195 CO -0.14 -2.24 1.18 0.08 0.04 0.00 0.00 177.00 175.92 1aqh s VAL 196 N -3.22 4.23 -0.06 -0.36 1.01 -0.90 -4.96 120.40 116.14 1aqh s VAL 196 Ca 0.64 1.58 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1aqh s VAL 196 Cb -0.15 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1aqh s VAL 196 CO 0.54 0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.96 1aqh s VAL 197 N 1.64 0.63 -0.04 2.92 1.01 -1.26 -0.45 120.40 124.85 1aqh s VAL 197 Ca 0.57 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1aqh s VAL 197 Cb -0.26 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 1aqh s VAL 197 CO 0.25 0.26 -0.17 0.72 0.00 0.00 0.00 175.10 176.17 1aqh s PHE 198 N 1.21 1.67 -0.16 5.22 -0.71 -0.48 -1.12 117.98 123.60 1aqh s PHE 198 Ca -0.06 -0.46 -0.05 0.00 -1.04 0.00 0.00 56.93 55.31 1aqh s PHE 198 Cb -0.14 -1.12 -0.03 0.00 -1.21 0.00 0.00 43.02 40.51 1aqh s PHE 198 CO -0.02 -0.15 0.02 -0.65 -1.34 0.00 0.00 175.22 173.08 1aqh s GLN 199 N -0.00 3.79 -0.55 1.99 -0.21 0.11 -0.72 119.66 124.06 1aqh s GLN 199 Ca -0.03 -0.42 -0.26 0.00 0.02 0.00 0.00 55.36 54.67 1aqh s GLN 199 Cb -0.11 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 30.88 1aqh s GLN 199 CO 0.02 0.29 1.06 -2.00 -2.12 0.00 0.00 175.29 172.54 1aqh s GLU 200 N 0.28 3.45 -0.15 2.91 2.12 -0.86 -1.70 118.70 124.75 1aqh s GLU 200 Ca 0.00 0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 1aqh s GLU 200 Cb -0.13 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.28 1aqh s GLU 200 CO 0.01 -1.54 -0.02 0.08 -0.54 0.00 0.00 175.26 173.25 1aqh s VAL 201 N 4.39 0.81 -0.47 3.70 1.01 -1.26 -2.11 120.40 126.47 1aqh s VAL 201 Ca 0.37 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1aqh s VAL 201 Cb -0.10 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.28 1aqh s VAL 201 CO 0.23 0.11 0.65 -0.63 0.00 0.00 0.00 175.10 175.46 1aqh s ILE 202 N 1.76 4.82 -0.27 2.22 1.01 -1.26 -4.60 121.20 124.89 1aqh s ILE 202 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1aqh s ILE 202 Cb -0.15 -4.25 0.09 0.00 0.01 0.00 0.00 42.46 38.16 1aqh s ILE 202 CO -0.07 -0.70 0.09 -0.62 0.00 0.00 0.00 174.94 173.64 1aqh s ASP 203 N 2.28 3.57 0.00 3.58 2.15 -1.26 -4.96 116.67 122.03 1aqh s ASP 203 Ca 0.20 -1.31 0.20 0.00 0.43 0.00 0.00 52.55 52.07 1aqh s ASP 203 Cb -0.16 -0.62 0.55 0.00 -0.30 0.00 0.00 42.92 42.39 1aqh s ASP 203 CO 0.16 -0.40 1.46 0.00 -0.17 0.00 0.00 175.17 176.22 1aqh n GLN 204 N 5.03 2.70 0.00 4.34 1.13 -1.26 -4.59 117.38 124.74 1aqh n GLN 204 Ca -0.05 -2.48 0.00 0.00 -1.94 0.00 0.00 57.00 52.53 1aqh n GLN 204 Cb 0.43 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1aqh n GLN 204 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqh n GLY 205 N 1.40 2.40 2.20 1.08 0.00 -1.26 -5.01 105.19 106.00 1aqh n GLY 205 Ca 0.21 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1aqh n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqh n GLY 206 N 1.47 0.36 3.88 -0.02 0.00 -1.26 -5.04 105.19 104.58 1aqh n GLY 206 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1aqh n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aqh s GLU 207 N -3.88 3.25 0.20 1.61 0.41 -1.26 -4.45 118.70 114.58 1aqh s GLU 207 Ca 0.00 -0.60 0.06 0.00 -0.41 0.00 0.00 54.97 54.02 1aqh s GLU 207 Cb 0.00 -2.90 0.10 0.00 -1.78 0.00 0.00 34.13 29.55 1aqh s GLU 207 CO 0.00 0.55 1.45 0.00 -0.49 0.00 0.00 175.26 176.78 1aqh h ALA 208 N 2.72 0.67 -3.00 5.21 0.00 -0.36 -3.41 119.26 121.09 1aqh h ALA 208 Ca -0.47 -0.69 -0.66 0.00 0.00 0.00 0.00 54.91 53.09 1aqh h ALA 208 Cb 1.18 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.61 1aqh h ALA 208 CO 0.70 0.91 -0.67 0.08 0.00 0.00 0.00 179.25 180.27 1aqh s VAL 209 N -3.30 3.77 0.12 0.00 1.01 -1.26 -4.87 120.40 115.87 1aqh s VAL 209 Ca -0.02 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1aqh s VAL 209 Cb 0.11 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1aqh s VAL 209 CO 0.80 0.32 0.21 -0.83 0.00 0.00 0.00 175.10 175.60 1aqh s GLY 210 N 1.52 1.87 0.36 4.51 0.00 -1.26 -4.96 107.32 109.36 1aqh s GLY 210 Ca 0.05 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.81 1aqh s GLY 210 CO 0.00 -1.01 1.99 0.00 0.00 0.00 0.00 173.10 174.08 1aqh h ALA 211 N 2.58 1.66 0.00 3.20 0.00 -1.92 -2.39 119.26 122.38 1aqh h ALA 211 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1aqh h ALA 211 Cb 1.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1aqh h ALA 211 CO 0.69 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.86 1aqh h SER 212 N 0.76 0.00 0.95 0.00 4.64 -2.01 -1.61 113.55 116.29 1aqh h SER 212 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1aqh h SER 212 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1aqh h SER 212 CO -0.08 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.55 1aqh h GLU 213 N 0.00 0.00 -0.27 4.77 5.08 -1.85 -3.12 114.58 119.19 1aqh h GLU 213 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aqh h GLU 213 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1aqh h GLU 213 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1aqh n TYR 214 N -3.02 0.33 0.30 4.33 4.02 -0.61 -4.54 117.16 117.97 1aqh n TYR 214 Ca 0.01 -0.19 0.17 0.00 -0.01 0.00 0.00 57.90 57.88 1aqh n TYR 214 Cb 0.29 -0.00 0.92 0.00 -0.02 0.00 0.00 39.34 40.53 1aqh n TYR 214 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1aqh h LEU 215 N 4.10 0.00 0.00 7.72 3.38 -1.66 -2.45 115.31 126.40 1aqh h LEU 215 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aqh h LEU 215 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1aqh h LEU 215 CO 0.00 0.04 -0.51 -1.54 0.09 0.00 0.00 178.44 176.52 1aqh n SER 216 N -3.47 0.57 -0.66 -0.43 3.41 -1.26 -3.96 113.62 107.82 1aqh n SER 216 Ca -0.02 0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1aqh n SER 216 Cb 0.15 0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1aqh n SER 216 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aqh n THR 217 N -1.84 0.00 -2.07 6.66 -2.24 -0.92 -5.08 114.28 108.79 1aqh n THR 217 Ca 0.04 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1aqh n THR 217 Cb 0.39 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1aqh n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqh n GLY 218 N 1.40 -0.08 3.81 3.38 0.00 -1.22 -4.91 105.19 107.56 1aqh n GLY 218 Ca 0.11 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1aqh n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqh s LEU 219 N 0.00 3.42 -0.02 0.99 1.43 -0.28 -4.50 118.68 119.72 1aqh s LEU 219 Ca 0.00 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1aqh s LEU 219 Cb 0.00 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 1aqh s LEU 219 CO 0.00 -1.22 -0.14 -0.69 0.23 0.00 0.00 176.35 174.53 1aqh s VAL 220 N -2.59 1.14 0.01 -1.59 1.01 0.31 0.09 120.40 118.78 1aqh s VAL 220 Ca 0.62 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1aqh s VAL 220 Cb -0.15 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1aqh s VAL 220 CO 0.41 0.33 1.53 0.42 0.00 0.00 0.00 175.10 177.79 1aqh s THR 221 N -0.23 3.47 -0.91 3.92 -4.23 -0.69 -1.47 115.64 115.51 1aqh s THR 221 Ca 0.03 0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 61.21 1aqh s THR 221 Cb -0.07 -3.53 0.19 0.00 1.34 0.00 0.00 72.50 70.43 1aqh s THR 221 CO -0.00 -0.02 0.96 -0.70 -0.54 0.00 0.00 174.62 174.33 1aqh s GLU 222 N 2.83 3.68 0.44 3.99 2.56 -0.33 -4.51 118.70 127.36 1aqh s GLU 222 Ca 0.69 -2.27 0.31 0.00 0.00 0.00 0.00 54.97 53.69 1aqh s GLU 222 Cb -0.34 -4.66 1.42 0.00 2.00 0.00 0.00 34.13 32.55 1aqh s GLU 222 CO 0.29 -1.49 1.92 0.74 -0.56 0.00 0.00 175.26 176.15 1aqh h PHE 223 N 8.05 0.00 0.00 5.30 -1.00 -1.86 -2.62 116.94 124.81 1aqh h PHE 223 Ca 0.14 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.87 1aqh h PHE 223 Cb 1.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 1aqh h PHE 223 CO 1.07 0.00 -0.27 0.87 -1.61 0.00 0.00 178.31 178.37 1aqh h LYS 224 N 0.00 0.00 -0.02 1.51 1.57 -1.91 -2.86 116.57 114.87 1aqh h LYS 224 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aqh h LYS 224 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1aqh h LYS 224 CO 0.00 0.27 0.01 -0.92 -0.57 0.00 0.00 179.45 178.24 1aqh h TYR 225 N 0.00 0.03 -0.34 -1.35 5.03 -1.83 0.81 116.97 119.32 1aqh h TYR 225 Ca -0.00 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1aqh h TYR 225 Cb 0.53 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1aqh h TYR 225 CO 0.00 0.19 0.21 1.03 -1.32 0.00 0.00 178.16 178.27 1aqh h SER 226 N -0.14 0.40 -0.25 -2.11 0.87 -1.61 -0.90 113.55 109.81 1aqh h SER 226 Ca 0.01 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1aqh h SER 226 Cb 0.17 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1aqh h SER 226 CO -0.00 0.33 -0.06 0.74 -0.53 0.00 0.00 176.83 177.30 1aqh h THR 227 N 0.45 1.28 -0.29 2.23 2.02 -1.43 -2.26 112.91 114.91 1aqh h THR 227 Ca 0.12 -1.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.05 1aqh h THR 227 Cb -0.01 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1aqh h THR 227 CO -0.02 0.33 -0.54 -0.33 0.37 0.00 0.00 175.52 175.33 1aqh h GLU 228 N 0.23 0.88 0.22 6.66 4.39 -0.83 -0.75 114.58 125.38 1aqh h GLU 228 Ca 0.06 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1aqh h GLU 228 Cb 0.53 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1aqh h GLU 228 CO 0.02 1.19 -0.11 1.25 -1.16 0.00 0.00 179.01 180.21 1aqh h LEU 229 N 0.66 -0.26 -1.05 1.33 6.46 -1.22 0.42 115.31 121.65 1aqh h LEU 229 Ca 0.01 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1aqh h LEU 229 Cb 1.15 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 1aqh h LEU 229 CO 0.12 -0.18 0.64 1.23 -0.62 0.00 0.00 178.44 179.63 1aqh h GLY 230 N -0.31 1.38 1.74 3.75 0.00 -1.36 -1.06 103.07 107.22 1aqh h GLY 230 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 1aqh h GLY 230 CO 0.05 0.46 -0.52 -0.57 0.00 0.00 0.00 176.54 175.95 1aqh h ASN 231 N 1.27 0.30 -0.04 0.19 -1.24 -0.81 -2.24 115.58 113.01 1aqh h ASN 231 Ca 0.37 -0.15 -0.15 0.00 0.71 0.00 0.00 56.30 57.07 1aqh h ASN 231 Cb -0.08 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 38.90 1aqh h ASN 231 CO -0.10 0.77 -0.57 0.74 -1.29 0.00 0.00 177.43 176.98 1aqh h THR 232 N 0.21 1.40 -0.20 -3.57 2.02 -0.39 0.01 112.91 112.39 1aqh h THR 232 Ca 0.01 -1.97 -0.06 0.00 0.77 0.00 0.00 66.41 65.15 1aqh h THR 232 Cb 1.00 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1aqh h THR 232 CO 0.08 0.58 -0.15 -0.26 0.37 0.00 0.00 175.52 176.15 1aqh h PHE 233 N 0.01 0.34 0.04 3.16 -1.00 -1.22 0.34 116.94 118.61 1aqh h PHE 233 Ca -0.06 -0.05 -0.25 0.00 2.81 0.00 0.00 57.97 60.42 1aqh h PHE 233 Cb 1.25 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 1aqh h PHE 233 CO 0.13 0.46 -1.37 0.00 -1.61 0.00 0.00 178.31 175.92 1aqh h ARG 234 N 0.30 0.09 -0.00 1.51 3.08 -1.44 -3.43 114.38 114.49 1aqh h ARG 234 Ca 0.06 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1aqh h ARG 234 Cb 0.44 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1aqh h ARG 234 CO 0.03 1.07 -0.00 0.09 -1.07 0.00 0.00 179.97 180.09 1aqh n ASN 235 N -4.18 1.26 0.00 7.04 3.02 -0.03 -5.07 115.26 117.31 1aqh n ASN 235 Ca -0.30 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1aqh n ASN 235 Cb 0.78 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1aqh n ASN 235 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aqh n GLY 236 N 0.17 5.43 3.35 7.41 0.00 0.11 -4.97 105.19 116.69 1aqh n GLY 236 Ca 0.02 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1aqh n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqh s SER 237 N 1.00 3.45 0.49 1.61 0.01 -1.25 -4.83 113.70 114.18 1aqh s SER 237 Ca 0.00 -0.39 0.25 0.00 1.31 0.00 0.00 55.95 57.12 1aqh s SER 237 Cb 0.00 -0.85 1.26 0.00 0.21 0.00 0.00 66.02 66.64 1aqh s SER 237 CO 0.00 0.28 1.99 -0.07 0.41 0.00 0.00 173.24 175.85 1aqh h LEU 238 N 5.84 0.00 -2.27 2.44 3.38 -1.62 -2.35 115.31 120.73 1aqh h LEU 238 Ca -0.37 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1aqh h LEU 238 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1aqh h LEU 238 CO 0.49 0.17 0.12 0.00 0.09 0.00 0.00 178.44 179.30 1aqh h ALA 239 N 1.83 1.76 0.00 1.53 0.00 -1.53 -1.44 119.26 121.41 1aqh h ALA 239 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1aqh h ALA 239 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1aqh h ALA 239 CO 0.02 -0.18 -0.09 -1.49 0.00 0.00 0.00 179.25 177.51 1aqh h TRP 240 N 0.00 0.00 0.00 0.00 6.55 -1.72 -3.11 115.95 117.67 1aqh h TRP 240 Ca 0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1aqh h TRP 240 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1aqh h TRP 240 CO 0.00 0.09 0.00 1.28 -1.05 0.00 0.00 178.44 178.76 1aqh n LEU 241 N -3.40 0.00 0.32 -4.49 4.77 -0.54 -4.05 117.00 109.61 1aqh n LEU 241 Ca -0.01 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.17 1aqh n LEU 241 Cb 0.26 0.00 1.06 0.00 -2.33 0.00 0.00 43.42 42.41 1aqh n LEU 241 CO 0.29 0.00 1.16 0.77 -1.33 0.00 0.00 177.39 178.28 1aqh h SER 242 N 0.00 0.00 0.00 -1.43 4.64 -1.75 -2.06 113.55 112.95 1aqh h SER 242 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1aqh h SER 242 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1aqh h SER 242 CO 0.00 0.00 -0.58 -0.46 -0.87 0.00 0.00 176.83 174.92 1aqh n ASN 243 N -3.16 1.29 -4.65 4.97 6.94 -1.26 -5.09 115.26 114.32 1aqh n ASN 243 Ca -0.02 -2.81 -0.44 0.00 -0.02 0.00 0.00 54.58 51.29 1aqh n ASN 243 Cb 0.18 -0.38 -0.01 0.00 -2.36 0.00 0.00 39.78 37.21 1aqh n ASN 243 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1aqh n PHE 244 N -0.46 1.81 0.00 -2.53 7.35 -0.78 -3.89 117.46 118.96 1aqh n PHE 244 Ca 0.11 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1aqh n PHE 244 Cb 0.83 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 38.31 1aqh n PHE 244 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1aqh n GLY 245 N 1.10 0.12 0.34 7.13 0.00 -1.26 -4.71 105.19 107.90 1aqh n GLY 245 Ca 0.08 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.62 1aqh n GLY 245 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aqh h GLU 246 N 0.00 0.16 0.00 1.61 3.07 -1.80 -0.50 114.58 117.12 1aqh h GLU 246 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1aqh h GLU 246 Cb 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1aqh h GLU 246 CO 0.00 0.11 -0.08 0.78 -1.40 0.00 0.00 179.01 178.42 1aqh h GLY 247 N 0.16 0.00 -1.47 -3.84 0.00 -1.85 -0.58 103.07 95.50 1aqh h GLY 247 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1aqh h GLY 247 CO -0.03 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.30 1aqh n TRP 248 N -3.75 0.24 -0.18 5.60 7.02 -0.23 -4.93 117.44 121.21 1aqh n TRP 248 Ca -0.02 -0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 1aqh n TRP 248 Cb 0.18 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1aqh n TRP 248 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1aqh n GLY 249 N 1.30 0.87 3.78 6.99 0.00 -0.22 -5.00 105.19 112.91 1aqh n GLY 249 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1aqh n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aqh s PHE 250 N -2.04 2.68 1.06 1.61 0.08 -1.01 -4.97 117.98 115.39 1aqh s PHE 250 Ca 0.00 1.16 -0.14 0.00 0.12 0.00 0.00 56.93 58.08 1aqh s PHE 250 Cb 0.00 -3.14 0.22 0.00 -0.57 0.00 0.00 43.02 39.53 1aqh s PHE 250 CO 0.00 -1.96 1.09 0.00 -0.10 0.00 0.00 175.22 174.25 1aqh s MET 251 N -5.10 -0.10 0.38 0.44 0.23 -1.26 -4.32 119.30 109.56 1aqh s MET 251 Ca 0.62 0.41 -0.27 0.00 -1.03 0.00 0.00 55.69 55.42 1aqh s MET 251 Cb -0.15 -1.68 -0.11 0.00 -1.53 0.00 0.00 34.83 31.35 1aqh s MET 251 CO 0.55 -3.07 1.33 -2.30 -2.03 0.00 0.00 175.02 169.50 1aqh n PRO 252 N -4.39 2.19 -0.17 3.16 -0.02 -1.26 -4.54 135.00 129.98 1aqh n PRO 252 Ca 0.06 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.30 1aqh n PRO 252 Cb 0.58 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1aqh n PRO 252 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1aqh h SER 253 N 2.48 -0.22 0.24 2.55 0.87 -1.95 -1.31 113.55 116.21 1aqh h SER 253 Ca -0.48 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1aqh h SER 253 Cb 1.28 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1aqh h SER 253 CO 0.62 -0.08 0.00 -1.54 -0.53 0.00 0.00 176.83 175.30 1aqh n SER 254 N -5.24 0.00 -0.00 6.23 3.41 -1.26 -2.23 113.62 114.53 1aqh n SER 254 Ca 0.06 0.48 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 1aqh n SER 254 Cb 0.28 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1aqh n SER 254 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1aqh n SER 255 N -1.49 0.93 -4.82 4.04 7.64 -0.52 -4.97 113.62 114.44 1aqh n SER 255 Ca 0.02 -0.61 -0.37 0.00 1.01 0.00 0.00 58.87 58.92 1aqh n SER 255 Cb 0.08 1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 64.36 1aqh n SER 255 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqh s ALA 256 N -2.35 3.71 -0.22 -0.43 0.00 -0.95 -0.53 121.76 121.00 1aqh s ALA 256 Ca 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1aqh s ALA 256 Cb 0.09 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1aqh s ALA 256 CO 0.52 0.41 0.06 0.08 0.00 0.00 0.00 175.76 176.83 1aqh s VAL 257 N -0.66 4.44 0.33 0.00 1.01 -0.54 -1.02 120.40 123.96 1aqh s VAL 257 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1aqh s VAL 257 Cb -0.15 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 1aqh s VAL 257 CO 0.09 0.39 -0.11 0.68 0.00 0.00 0.00 175.10 176.15 1aqh s VAL 258 N 1.12 2.24 -0.04 2.92 -7.23 -0.86 -1.19 120.40 117.36 1aqh s VAL 258 Ca 0.04 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 57.69 1aqh s VAL 258 Cb -0.14 -2.60 0.11 0.00 0.56 0.00 0.00 36.38 34.31 1aqh s VAL 258 CO 0.03 -0.23 0.95 0.72 -0.31 0.00 0.00 175.10 176.26 1aqh s PHE 259 N -2.62 -0.30 0.01 2.82 -0.12 -1.26 -1.79 117.98 114.72 1aqh s PHE 259 Ca 0.32 0.18 -0.17 0.00 -0.05 0.00 0.00 56.93 57.21 1aqh s PHE 259 Cb 0.02 0.54 -0.35 0.00 -0.63 0.00 0.00 43.02 42.59 1aqh s PHE 259 CO 0.16 -0.49 0.98 0.28 -0.05 0.00 0.00 175.22 176.10 1aqh h VAL 260 N 2.00 1.32 -3.28 -2.49 2.07 -1.92 -3.29 116.25 110.66 1aqh h VAL 260 Ca -0.20 -2.67 -0.02 0.00 0.82 0.00 0.00 66.70 64.64 1aqh h VAL 260 Cb 1.23 3.08 -0.10 0.00 -1.52 0.00 0.00 31.29 33.98 1aqh h VAL 260 CO 0.29 0.79 0.05 1.51 0.02 0.00 0.00 177.57 180.23 1aqh s ASP 261 N -7.47 -0.27 0.34 0.57 -4.77 -1.26 -4.39 116.67 99.41 1aqh s ASP 261 Ca -0.10 -0.47 0.05 0.00 -3.30 0.00 0.00 52.55 48.72 1aqh s ASP 261 Cb 0.03 0.59 -0.03 0.00 -1.09 0.00 0.00 42.92 42.42 1aqh s ASP 261 CO 0.93 -1.07 0.20 0.54 0.70 0.00 0.00 175.17 176.47 1aqh s ASN 262 N -2.87 1.83 0.51 2.11 4.22 -1.26 -4.62 114.94 114.86 1aqh s ASN 262 Ca 0.09 -1.67 0.17 0.00 -2.14 0.00 0.00 52.86 49.31 1aqh s ASN 262 Cb -0.01 0.50 1.26 0.00 1.28 0.00 0.00 41.25 44.28 1aqh s ASN 262 CO -0.03 -0.98 2.12 1.12 -2.04 0.00 0.00 177.10 177.30 1aqh h HIS 263 N 2.09 0.00 0.00 1.54 2.07 -1.99 -2.34 115.15 116.53 1aqh h HIS 263 Ca -0.30 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1aqh h HIS 263 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.23 1aqh h HIS 263 CO 1.42 0.04 -0.04 -0.44 -3.07 0.00 0.00 177.93 175.85 1aqh h ASP 264 N 0.00 0.00 0.65 3.10 3.32 -1.97 -3.37 116.42 118.15 1aqh h ASP 264 Ca -0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1aqh h ASP 264 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1aqh h ASP 264 CO 0.01 0.71 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1aqh n ASN 265 N -4.70 0.67 -0.00 6.45 0.23 -1.08 -1.12 115.26 115.72 1aqh n ASN 265 Ca -0.05 0.68 0.14 0.00 -0.53 0.00 0.00 54.58 54.83 1aqh n ASN 265 Cb 0.20 -0.82 0.65 0.00 -2.08 0.00 0.00 39.78 37.74 1aqh n ASN 265 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aqh n GLN 266 N -2.26 0.10 -0.18 -3.83 10.64 -0.88 -2.82 117.38 118.15 1aqh n GLN 266 Ca 0.02 -0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.24 1aqh n GLN 266 Cb 0.21 -1.50 0.15 0.00 -0.86 0.00 0.00 30.24 28.23 1aqh n GLN 266 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1aqh n ARG 267 N -1.45 2.88 -0.73 2.61 1.74 -0.27 -4.99 116.66 116.45 1aqh n ARG 267 Ca 0.09 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 1aqh n ARG 267 Cb 0.32 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1aqh n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aqh n GLY 268 N 0.30 0.69 3.35 -0.13 0.00 -1.13 -4.99 105.19 103.29 1aqh n GLY 268 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1aqh n GLY 268 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aqh s HIS 269 N -2.35 3.26 0.00 1.61 3.76 -0.89 -4.29 115.29 116.39 1aqh s HIS 269 Ca 0.00 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 1aqh s HIS 269 Cb 0.00 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.37 1aqh s HIS 269 CO 0.00 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.44 1aqh n GLY 270 N 5.18 0.59 3.64 -2.22 0.00 -1.26 -2.62 105.19 108.49 1aqh n GLY 270 Ca -0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1aqh n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqh s GLY 271 N -2.55 -0.07 0.00 -0.02 0.00 -1.26 -4.84 107.32 98.57 1aqh s GLY 271 Ca 0.00 2.81 0.00 0.00 0.00 0.00 0.00 44.72 47.53 1aqh s GLY 271 CO 0.00 1.86 0.00 0.00 0.00 0.00 0.00 173.10 174.96 1aqh n ALA 272 N 2.13 0.00 0.29 3.20 0.00 -1.26 -4.19 120.51 120.69 1aqh n ALA 272 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1aqh n ALA 272 Cb 0.56 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.67 1aqh n ALA 272 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1aqh h GLY 273 N 0.00 0.00 1.86 0.00 0.00 -1.98 -2.67 103.07 100.28 1aqh h GLY 273 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aqh h GLY 273 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1aqh n ASN 274 N -2.50 0.00 -4.72 0.19 6.94 -1.26 -4.76 115.26 109.14 1aqh n ASN 274 Ca -0.00 0.33 -0.42 0.00 -0.02 0.00 0.00 54.58 54.47 1aqh n ASN 274 Cb 0.16 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 1aqh n ASN 274 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1aqh s VAL 275 N -2.86 3.56 -0.07 3.53 1.01 -1.01 -3.98 120.40 120.59 1aqh s VAL 275 Ca 0.13 1.15 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 1aqh s VAL 275 Cb 0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1aqh s VAL 275 CO 0.37 0.10 0.64 -0.63 0.00 0.00 0.00 175.10 175.58 1aqh s ILE 276 N 0.90 5.06 0.45 2.22 1.01 -1.26 -5.06 121.20 124.52 1aqh s ILE 276 Ca 0.61 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.60 1aqh s ILE 276 Cb -0.34 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1aqh s ILE 276 CO 0.31 0.29 0.11 0.42 0.00 0.00 0.00 174.94 176.08 1aqh s THR 277 N 0.63 0.61 0.52 2.92 -4.23 -1.26 -4.35 115.64 110.48 1aqh s THR 277 Ca 0.34 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1aqh s THR 277 Cb -0.17 -2.20 0.39 0.00 1.34 0.00 0.00 72.50 71.85 1aqh s THR 277 CO 0.16 0.00 2.00 2.19 -0.54 0.00 0.00 174.62 178.43 1aqh h PHE 278 N 1.60 0.04 0.00 3.99 -5.15 -1.97 -0.82 116.94 114.63 1aqh h PHE 278 Ca -0.36 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.41 1aqh h PHE 278 Cb 1.29 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 37.45 1aqh h PHE 278 CO 1.73 0.01 -0.00 0.93 -2.00 0.00 0.00 178.31 178.98 1aqh h GLU 279 N 0.03 0.00 -0.12 6.09 5.08 -2.00 -1.31 114.58 122.35 1aqh h GLU 279 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1aqh h GLU 279 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1aqh h GLU 279 CO -0.01 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.75 1aqh n ASP 280 N -3.33 1.29 0.00 1.42 8.00 -0.31 -4.99 116.55 118.63 1aqh n ASP 280 Ca -0.03 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1aqh n ASP 280 Cb 0.08 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1aqh n ASP 280 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aqh n GLY 281 N 1.06 3.01 0.33 0.44 0.00 -0.50 -1.69 105.19 107.85 1aqh n GLY 281 Ca 0.16 0.28 0.17 0.00 0.00 0.00 0.00 46.02 46.63 1aqh n GLY 281 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aqh h ARG 282 N 0.00 0.00 -0.59 1.61 9.65 -1.94 -0.33 114.38 122.78 1aqh h ARG 282 Ca 0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1aqh h ARG 282 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1aqh h ARG 282 CO 0.00 0.00 0.05 1.25 2.80 0.00 0.00 179.97 184.07 1aqh h LEU 283 N 0.00 0.98 -0.66 3.80 6.46 -1.71 -1.85 115.31 122.33 1aqh h LEU 283 Ca 0.08 -0.29 -0.07 0.00 -0.12 0.00 0.00 57.88 57.49 1aqh h LEU 283 Cb 0.44 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1aqh h LEU 283 CO -0.00 1.02 0.13 0.22 -0.62 0.00 0.00 178.44 179.19 1aqh h TYR 284 N 0.90 1.14 0.25 1.25 3.20 -1.20 -1.72 116.97 120.79 1aqh h TYR 284 Ca 0.17 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1aqh h TYR 284 Cb 0.49 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1aqh h TYR 284 CO 0.04 0.95 -0.30 -0.44 -1.64 0.00 0.00 178.16 176.76 1aqh h ASP 285 N 1.00 -0.83 -0.93 -2.11 3.32 -1.11 -1.90 116.42 113.86 1aqh h ASP 285 Ca 0.20 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1aqh h ASP 285 Cb 0.40 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 1aqh h ASP 285 CO 0.01 -0.42 0.59 -0.07 -1.72 0.00 0.00 179.24 177.63 1aqh h LEU 286 N -0.60 1.08 -0.62 1.55 3.38 -1.20 -1.09 115.31 117.81 1aqh h LEU 286 Ca -0.00 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1aqh h LEU 286 Cb 0.57 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1aqh h LEU 286 CO -0.09 0.80 -0.02 0.00 0.09 0.00 0.00 178.44 179.22 1aqh h ALA 287 N 1.39 0.83 -0.32 1.53 0.00 -1.20 -1.98 119.26 119.51 1aqh h ALA 287 Ca 0.34 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1aqh h ALA 287 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1aqh h ALA 287 CO -0.07 0.67 -0.31 -0.91 0.00 0.00 0.00 179.25 178.63 1aqh h ASN 288 N 0.96 0.72 -0.64 0.00 2.35 -1.06 -2.00 115.58 115.90 1aqh h ASN 288 Ca 0.17 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1aqh h ASN 288 Cb 0.58 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1aqh h ASN 288 CO 0.03 0.98 0.35 0.58 -1.65 0.00 0.00 177.43 177.72 1aqh h VAL 289 N 0.59 1.20 0.07 2.81 2.07 -0.97 -0.94 116.25 121.07 1aqh h VAL 289 Ca 0.07 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1aqh h VAL 289 Cb 0.82 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1aqh h VAL 289 CO 0.07 0.22 -0.03 0.15 0.02 0.00 0.00 177.57 178.00 1aqh h PHE 290 N 0.87 -0.09 -0.54 1.57 3.57 -1.16 -2.01 116.94 119.16 1aqh h PHE 290 Ca 0.22 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1aqh h PHE 290 Cb 0.04 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1aqh h PHE 290 CO -0.01 0.13 0.24 1.98 -2.23 0.00 0.00 178.31 178.42 1aqh h MET 291 N -0.29 0.44 0.00 1.11 4.05 -1.27 0.11 114.93 119.08 1aqh h MET 291 Ca -0.01 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 1aqh h MET 291 Cb 0.25 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1aqh h MET 291 CO 0.02 0.29 -0.50 -0.07 0.23 0.00 0.00 176.91 176.88 1aqh h LEU 292 N 0.45 0.00 0.02 3.39 3.38 -1.16 -3.13 115.31 118.26 1aqh h LEU 292 Ca 0.25 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 1aqh h LEU 292 Cb 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1aqh h LEU 292 CO -0.21 0.50 -1.41 0.00 0.09 0.00 0.00 178.44 177.40 1aqh h ALA 293 N 1.50 0.54 -2.49 1.53 0.00 -1.14 -3.36 119.26 115.85 1aqh h ALA 293 Ca -0.00 -1.20 -0.53 0.00 0.00 0.00 0.00 54.91 53.17 1aqh h ALA 293 Cb 0.98 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1aqh h ALA 293 CO 0.06 1.40 0.43 -0.47 0.00 0.00 0.00 179.25 180.68 1aqh s TYR 294 N -2.64 3.62 0.00 0.00 5.04 0.36 -4.96 117.35 118.76 1aqh s TYR 294 Ca -0.03 1.60 -0.03 0.00 -2.44 0.00 0.00 57.07 56.17 1aqh s TYR 294 Cb 0.09 -3.21 -0.13 0.00 0.35 0.00 0.00 41.96 39.06 1aqh s TYR 294 CO 0.83 -0.39 2.59 -0.35 -1.34 0.00 0.00 175.55 176.89 1aqh n PRO 295 N 3.51 1.37 -5.18 4.97 -0.04 -1.26 -4.85 135.00 133.52 1aqh n PRO 295 Ca 0.06 -0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 62.73 1aqh n PRO 295 Cb 0.49 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.24 1aqh n PRO 295 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1aqh s TYR 296 N 0.77 2.33 0.16 0.54 6.14 -1.26 -5.01 117.35 121.02 1aqh s TYR 296 Ca 0.32 -0.74 0.00 0.00 0.64 0.00 0.00 57.07 57.29 1aqh s TYR 296 Cb 0.15 -1.54 0.00 0.00 0.42 0.00 0.00 41.96 40.99 1aqh s TYR 296 CO 0.00 -0.25 0.00 0.41 0.64 0.00 0.00 175.55 176.35 1aqh n GLY 297 N 3.10 -1.94 3.16 8.97 0.00 -1.24 -4.74 105.19 112.50 1aqh n GLY 297 Ca -0.18 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1aqh n GLY 297 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aqh s TYR 298 N -1.37 3.44 0.38 1.61 5.04 -0.19 -4.94 117.35 121.31 1aqh s TYR 298 Ca 0.00 -2.10 -0.23 0.00 -2.44 0.00 0.00 57.07 52.30 1aqh s TYR 298 Cb 0.00 -2.75 -0.10 0.00 0.35 0.00 0.00 41.96 39.45 1aqh s TYR 298 CO 0.00 -0.89 0.94 -1.25 -1.34 0.00 0.00 175.55 173.01 1aqh s PRO 299 N 1.21 4.37 -0.12 4.97 0.05 -1.26 -2.04 135.00 142.19 1aqh s PRO 299 Ca 0.03 1.19 0.01 0.00 0.05 0.00 0.00 61.00 62.28 1aqh s PRO 299 Cb -0.21 -2.45 0.02 0.00 0.05 0.00 0.00 34.50 31.90 1aqh s PRO 299 CO -0.02 0.11 -0.15 -1.59 0.05 0.00 0.00 177.00 175.39 1aqh s LYS 300 N -2.69 2.29 0.19 4.56 -2.85 -0.74 -2.02 119.74 118.48 1aqh s LYS 300 Ca 0.57 -0.58 -0.30 0.00 -1.00 0.00 0.00 55.97 54.66 1aqh s LYS 300 Cb -0.13 -1.99 -0.08 0.00 -2.06 0.00 0.00 37.83 33.57 1aqh s LYS 300 CO 0.18 -0.12 1.00 0.08 0.10 0.00 0.00 175.35 176.59 1aqh s VAL 301 N 1.15 4.10 0.29 1.79 1.01 -0.11 -4.62 120.40 124.01 1aqh s VAL 301 Ca -0.03 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.69 1aqh s VAL 301 Cb -0.14 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1aqh s VAL 301 CO -0.05 0.37 0.75 -0.32 0.00 0.00 0.00 175.10 175.86 1aqh s MET 302 N -0.64 4.13 -0.22 2.72 1.75 -1.26 -1.04 119.30 124.74 1aqh s MET 302 Ca 0.45 0.80 -0.04 0.00 -1.25 0.00 0.00 55.69 55.66 1aqh s MET 302 Cb -0.27 -2.60 0.07 0.00 2.84 0.00 0.00 34.83 34.88 1aqh s MET 302 CO 0.33 0.24 0.08 0.45 -0.65 0.00 0.00 175.02 175.47 1aqh s SER 303 N -2.01 3.00 0.48 1.11 0.15 -0.87 -4.14 113.70 111.43 1aqh s SER 303 Ca 0.50 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 56.24 1aqh s SER 303 Cb -0.13 -0.46 0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1aqh s SER 303 CO 0.19 -0.36 0.34 -1.20 1.20 0.00 0.00 173.24 173.40 1aqh n SER 304 N 5.15 2.60 -4.15 5.45 7.64 -1.26 -3.10 113.62 125.94 1aqh n SER 304 Ca -0.07 -2.69 -0.19 0.00 1.01 0.00 0.00 58.87 56.93 1aqh n SER 304 Cb 0.46 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.52 1aqh n SER 304 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1aqh s TYR 305 N -2.43 1.19 -0.35 1.43 -0.85 -1.26 -0.70 117.35 114.38 1aqh s TYR 305 Ca 0.26 -0.41 -0.29 0.00 -0.52 0.00 0.00 57.07 56.12 1aqh s TYR 305 Cb -0.02 -0.69 -0.01 0.00 0.38 0.00 0.00 41.96 41.62 1aqh s TYR 305 CO 0.16 0.04 1.63 0.34 -1.52 0.00 0.00 175.55 176.20 1aqh s ASP 306 N -1.43 6.12 0.00 -0.18 -1.08 -0.50 -4.87 116.67 114.73 1aqh s ASP 306 Ca -0.01 1.16 0.26 0.00 -0.52 0.00 0.00 52.55 53.45 1aqh s ASP 306 Cb -0.09 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.76 1aqh s ASP 306 CO 0.02 -1.55 1.67 2.22 0.52 0.00 0.00 175.17 178.05 1aqh n PHE 307 N 9.49 0.04 -3.80 -5.34 -1.74 -1.26 -4.84 117.46 110.02 1aqh n PHE 307 Ca 0.20 -0.02 -0.24 0.00 -0.56 0.00 0.00 57.45 56.83 1aqh n PHE 307 Cb 0.47 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.48 1aqh n PHE 307 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1aqh n HIS 308 N 0.32 -1.81 -0.29 2.97 8.25 -1.26 -1.58 115.22 121.82 1aqh n HIS 308 Ca 0.18 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 1aqh n HIS 308 Cb 0.38 -3.99 0.00 0.00 1.12 0.00 0.00 29.99 27.50 1aqh n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aqh n GLY 309 N -1.76 0.68 3.46 -1.41 0.00 -1.26 -4.93 105.19 99.97 1aqh n GLY 309 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1aqh n GLY 309 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aqh s ASP 310 N -2.50 6.21 0.00 1.61 -1.08 -0.62 -4.92 116.67 115.37 1aqh s ASP 310 Ca 0.00 -0.90 0.17 0.00 -0.52 0.00 0.00 52.55 51.29 1aqh s ASP 310 Cb 0.00 -2.39 0.77 0.00 -1.46 0.00 0.00 42.92 39.83 1aqh s ASP 310 CO 0.00 -1.30 1.52 0.35 0.52 0.00 0.00 175.17 176.25 1aqh n THR 311 N 5.90 0.71 0.05 1.71 -2.24 -1.26 -2.74 114.28 116.42 1aqh n THR 311 Ca -0.04 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1aqh n THR 311 Cb 0.45 -0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 67.64 1aqh n THR 311 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aqh n ASP 312 N -1.41 0.46 -4.72 3.42 8.00 -1.26 -4.97 116.55 116.07 1aqh n ASP 312 Ca 0.06 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1aqh n ASP 312 Cb 0.17 1.86 -0.01 0.00 -0.02 0.00 0.00 41.12 43.12 1aqh n ASP 312 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqh n ALA 313 N -2.15 1.70 -1.68 2.24 0.00 -1.11 -2.99 120.51 116.52 1aqh n ALA 313 Ca -0.03 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.61 1aqh n ALA 313 Cb 0.51 -2.32 0.15 0.00 0.00 0.00 0.00 19.45 17.79 1aqh n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqh n GLY 314 N 0.85 -1.43 3.73 0.00 0.00 -1.21 -4.15 105.19 102.98 1aqh n GLY 314 Ca 0.04 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1aqh n GLY 314 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqh s GLY 315 N -5.16 1.65 0.72 -0.02 0.00 -1.26 -4.92 107.32 98.33 1aqh s GLY 315 Ca 0.56 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 1aqh s GLY 315 CO 0.40 -0.19 0.86 -1.05 0.00 0.00 0.00 173.10 173.12 1aqh n PRO 316 N -4.32 0.47 -0.08 2.90 -0.02 -1.26 -4.92 135.00 127.76 1aqh n PRO 316 Ca 0.13 0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.89 1aqh n PRO 316 Cb 0.59 -2.12 0.28 0.00 -0.02 0.00 0.00 33.50 32.23 1aqh n PRO 316 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1aqh n ASN 317 N -1.30 1.15 -4.18 2.55 4.13 -1.26 -4.83 115.26 111.53 1aqh n ASN 317 Ca 0.12 -1.79 -0.23 0.00 1.68 0.00 0.00 54.58 54.36 1aqh n ASN 317 Cb 0.49 -0.11 -0.14 0.00 -1.54 0.00 0.00 39.78 38.48 1aqh n ASN 317 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1aqh s VAL 318 N -1.78 1.34 0.74 2.41 0.11 -1.26 -5.14 120.40 116.82 1aqh s VAL 318 Ca 0.23 -0.99 -0.11 0.00 -2.93 0.00 0.00 61.98 58.18 1aqh s VAL 318 Cb 0.12 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1aqh s VAL 318 CO 0.18 0.16 1.08 -2.16 -3.33 0.00 0.00 175.10 171.03 1aqh s PRO 319 N -0.96 2.56 0.10 1.54 0.04 -1.26 -4.98 135.00 132.04 1aqh s PRO 319 Ca 0.05 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.76 1aqh s PRO 319 Cb -0.08 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1aqh s PRO 319 CO 0.01 -1.33 1.43 0.28 0.04 0.00 0.00 177.00 177.43 1aqh h VAL 320 N -0.88 1.30 -3.64 -0.36 2.07 -1.93 -3.36 116.25 109.46 1aqh h VAL 320 Ca -0.45 -1.40 -0.77 0.00 0.82 0.00 0.00 66.70 64.90 1aqh h VAL 320 Cb 1.24 1.57 -0.27 0.00 -1.52 0.00 0.00 31.29 32.30 1aqh h VAL 320 CO 0.58 0.45 -0.03 -1.00 0.02 0.00 0.00 177.57 177.58 1aqh s HIS 321 N -4.41 3.62 -0.60 1.57 3.76 -1.26 -0.78 115.29 117.19 1aqh s HIS 321 Ca -0.13 -1.94 -0.05 0.00 -0.15 0.00 0.00 55.06 52.80 1aqh s HIS 321 Cb 0.08 -3.74 0.16 0.00 1.11 0.00 0.00 32.58 30.19 1aqh s HIS 321 CO 0.82 -0.98 0.44 1.21 -0.85 0.00 0.00 174.74 175.38 1aqh s ASN 322 N 2.29 5.53 -1.34 1.40 2.47 0.17 -4.79 114.94 120.68 1aqh s ASN 322 Ca 0.14 -2.58 -0.02 0.00 0.42 0.00 0.00 52.86 50.83 1aqh s ASN 322 Cb -0.16 -1.93 0.01 0.00 -1.45 0.00 0.00 41.25 37.73 1aqh s ASN 322 CO -0.06 -0.47 0.71 0.59 -3.72 0.00 0.00 177.10 174.15 1aqh n ASN 323 N 3.92 -1.52 0.00 -4.21 5.03 -1.26 -1.81 115.26 115.40 1aqh n ASN 323 Ca 0.05 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.67 1aqh n ASN 323 Cb 0.40 -3.95 0.00 0.00 -1.02 0.00 0.00 39.78 35.21 1aqh n ASN 323 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aqh n GLY 324 N -1.62 0.95 3.67 7.41 0.00 -1.26 -5.02 105.19 109.31 1aqh n GLY 324 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1aqh n GLY 324 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aqh s ASN 325 N -3.00 5.06 -0.36 1.61 2.47 -0.75 -5.10 114.94 114.88 1aqh s ASN 325 Ca 0.00 0.02 -0.10 0.00 0.42 0.00 0.00 52.86 53.21 1aqh s ASN 325 Cb 0.00 -1.34 0.03 0.00 -1.45 0.00 0.00 41.25 38.49 1aqh s ASN 325 CO 0.00 0.32 0.17 -0.22 -3.72 0.00 0.00 177.10 173.65 1aqh s LEU 326 N -1.28 4.56 -0.48 3.21 2.96 -1.26 -0.65 118.68 125.74 1aqh s LEU 326 Ca 0.17 -1.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 1aqh s LEU 326 Cb -0.11 -1.98 -0.21 0.00 0.50 0.00 0.00 46.19 44.39 1aqh s LEU 326 CO 0.07 -0.35 3.39 -0.62 -1.32 0.00 0.00 176.35 177.52 1aqh n GLU 327 N 4.94 2.47 -4.19 1.98 -0.58 0.04 -4.89 120.64 120.42 1aqh n GLU 327 Ca -0.12 -1.34 -0.23 0.00 -0.42 0.00 0.00 57.16 55.05 1aqh n GLU 327 Cb 0.46 -2.23 -0.07 0.00 -0.57 0.00 0.00 31.44 29.03 1aqh n GLU 327 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aqh n PHE 329 N -1.04 0.00 0.00 0.00 3.72 -0.78 -4.94 117.46 114.42 1aqh n PHE 329 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1aqh n PHE 329 Cb 0.60 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1aqh n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aqh n ALA 330 N 0.67 0.00 1.03 4.37 0.00 -1.25 -4.98 120.51 120.34 1aqh n ALA 330 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1aqh n ALA 330 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1aqh n ALA 330 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aqh n SER 331 N 0.00 1.76 0.00 0.00 3.41 -1.26 -4.73 113.62 112.81 1aqh n SER 331 Ca 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1aqh n SER 331 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1aqh n SER 331 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aqh n ASN 332 N 0.43 0.00 -4.74 4.04 3.02 -1.26 -4.49 115.26 112.26 1aqh n ASN 332 Ca 0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 1aqh n ASN 332 Cb 0.30 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1aqh n ASN 332 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1aqh s TRP 333 N 2.51 3.52 0.06 3.10 0.52 -1.19 -1.41 118.94 126.05 1aqh s TRP 333 Ca 0.00 1.53 0.04 0.00 0.02 0.00 0.00 56.10 57.69 1aqh s TRP 333 Cb 0.00 -3.34 -0.24 0.00 -1.15 0.00 0.00 33.47 28.74 1aqh s TRP 333 CO 0.00 -0.85 1.07 0.87 0.02 0.00 0.00 176.95 178.05 1aqh h LYS 334 N 5.19 0.09 -6.22 4.98 1.79 -1.20 -2.08 116.57 119.12 1aqh h LYS 334 Ca -0.44 -0.15 -0.44 0.00 -2.18 0.00 0.00 60.65 57.44 1aqh h LYS 334 Cb 1.21 0.06 0.04 0.00 -1.58 0.00 0.00 32.23 31.96 1aqh h LYS 334 CO 0.73 0.96 -0.89 0.00 -1.08 0.00 0.00 179.45 179.18 1aqh h GLU 336 N -1.83 0.00 0.00 0.00 3.07 -1.89 -0.14 114.58 113.80 1aqh h GLU 336 Ca -0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 1aqh h GLU 336 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1aqh h GLU 336 CO 0.54 0.00 0.00 -2.39 -1.40 0.00 0.00 179.01 175.77 1aqh n HIS 337 N -4.50 0.00 0.33 4.33 1.44 -1.26 -1.68 115.22 113.88 1aqh n HIS 337 Ca -0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.77 1aqh n HIS 337 Cb 0.09 -0.50 -0.13 0.00 0.12 0.00 0.00 29.99 29.57 1aqh n HIS 337 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1aqh n ARG 338 N -1.50 0.68 -1.67 -1.40 1.74 -0.07 -4.30 116.66 110.15 1aqh n ARG 338 Ca 0.02 -0.11 -0.46 0.00 -0.77 0.00 0.00 57.85 56.53 1aqh n ARG 338 Cb 0.07 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1aqh n ARG 338 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1aqh n TRP 339 N -1.89 2.25 -0.32 -1.55 7.02 -0.67 -4.74 117.44 117.53 1aqh n TRP 339 Ca -0.01 0.32 -0.01 0.00 -1.02 0.00 0.00 57.50 56.78 1aqh n TRP 339 Cb 0.42 -2.52 0.05 0.00 -2.42 0.00 0.00 31.31 26.84 1aqh n TRP 339 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1aqh h SER 340 N 5.37 -1.25 -0.57 -0.99 0.87 -1.89 -0.64 113.55 114.46 1aqh h SER 340 Ca -0.45 0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1aqh h SER 340 Cb 1.26 0.67 -0.03 0.00 -0.44 0.00 0.00 62.40 63.86 1aqh h SER 340 CO 0.85 -0.29 0.15 1.88 -0.53 0.00 0.00 176.83 178.88 1aqh h TYR 341 N -0.05 0.97 0.04 2.24 -1.99 -1.90 -1.05 116.97 115.23 1aqh h TYR 341 Ca 0.33 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 1aqh h TYR 341 Cb 0.60 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.04 1aqh h TYR 341 CO -0.77 0.80 -0.02 0.82 -0.00 0.00 0.00 178.16 178.99 1aqh h ILE 342 N 0.90 1.33 -0.45 -2.88 2.04 -1.57 -1.34 117.51 115.55 1aqh h ILE 342 Ca 0.20 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1aqh h ILE 342 Cb 0.32 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1aqh h ILE 342 CO -0.00 0.32 0.13 0.00 0.00 0.00 0.00 178.15 178.60 1aqh h ALA 343 N 0.29 1.38 -0.20 1.87 0.00 -1.18 -1.10 119.26 120.32 1aqh h ALA 343 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1aqh h ALA 343 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1aqh h ALA 343 CO 0.01 0.45 -0.14 0.78 0.00 0.00 0.00 179.25 180.35 1aqh h GLY 344 N 0.85 0.36 1.10 0.00 0.00 -1.19 -1.01 103.07 103.18 1aqh h GLY 344 Ca 0.15 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1aqh h GLY 344 CO -0.01 0.22 -0.25 -1.33 0.00 0.00 0.00 176.54 175.18 1aqh h GLY 345 N 0.84 1.06 0.95 4.60 0.00 -0.04 -1.32 103.07 109.16 1aqh h GLY 345 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 1aqh h GLY 345 CO 0.03 0.88 0.15 -2.08 0.00 0.00 0.00 176.54 175.52 1aqh h VAL 346 N 0.82 1.21 -0.91 4.60 2.07 -1.00 -0.68 116.25 122.36 1aqh h VAL 346 Ca 0.10 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1aqh h VAL 346 Cb 0.83 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1aqh h VAL 346 CO 0.07 0.25 0.61 -0.78 0.02 0.00 0.00 177.57 177.73 1aqh h ASP 347 N 0.55 1.05 -0.27 0.57 3.58 -1.07 -0.82 116.42 120.01 1aqh h ASP 347 Ca 0.14 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1aqh h ASP 347 Cb 0.23 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1aqh h ASP 347 CO -0.01 0.76 0.13 0.15 -2.88 0.00 0.00 179.24 177.39 1aqh h PHE 348 N 1.23 0.39 -0.79 0.28 3.57 -0.69 -2.14 116.94 118.79 1aqh h PHE 348 Ca 0.34 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1aqh h PHE 348 Cb -0.14 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1aqh h PHE 348 CO -0.01 0.36 0.33 -0.09 -2.23 0.00 0.00 178.31 176.67 1aqh h ARG 349 N 0.30 1.18 -0.20 1.11 2.43 -0.66 -2.43 114.38 116.10 1aqh h ARG 349 Ca 0.09 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1aqh h ARG 349 Cb 0.12 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1aqh h ARG 349 CO -0.01 0.95 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.39 1aqh h ASN 350 N 1.15 0.29 -0.11 -3.80 4.21 -0.95 -3.02 115.58 113.35 1aqh h ASN 350 Ca 0.27 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1aqh h ASN 350 Cb 0.20 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1aqh h ASN 350 CO -0.02 0.42 0.00 0.59 -1.29 0.00 0.00 177.43 177.13 1aqh n ASN 351 N -4.28 2.42 -0.06 5.81 3.02 -0.82 -3.33 115.26 118.01 1aqh n ASN 351 Ca -0.00 -1.80 0.05 0.00 -0.03 0.00 0.00 54.58 52.80 1aqh n ASN 351 Cb 0.26 -0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1aqh n ASN 351 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1aqh n THR 352 N 0.86 1.38 1.16 3.41 -2.24 -0.95 -4.77 114.28 113.12 1aqh n THR 352 Ca 0.17 -1.57 0.05 0.00 -2.27 0.00 0.00 64.05 60.42 1aqh n THR 352 Cb 0.49 0.13 0.27 0.00 -2.10 0.00 0.00 70.33 69.12 1aqh n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqh n ALA 353 N -0.94 2.13 0.90 6.98 0.00 -1.16 -2.12 120.51 126.29 1aqh n ALA 353 Ca 0.08 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1aqh n ALA 353 Cb 0.48 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1aqh n ALA 353 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aqh n ASP 354 N -0.75 2.07 -3.48 0.00 5.68 -1.26 -4.78 116.55 114.03 1aqh n ASP 354 Ca 0.07 -1.53 -0.23 0.00 -0.50 0.00 0.00 54.79 52.59 1aqh n ASP 354 Cb 0.03 0.38 -0.12 0.00 -1.14 0.00 0.00 41.12 40.27 1aqh n ASP 354 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1aqh s ASN 355 N -2.18 2.62 -0.15 -1.12 3.84 -0.90 -5.03 114.94 112.02 1aqh s ASN 355 Ca 0.18 -1.02 0.07 0.00 0.21 0.00 0.00 52.86 52.31 1aqh s ASN 355 Cb 0.17 0.06 0.46 0.00 -0.55 0.00 0.00 41.25 41.39 1aqh s ASN 355 CO 0.47 -0.41 1.25 0.79 -2.79 0.00 0.00 177.10 176.40 1aqh n TRP 356 N 5.28 1.26 -4.01 0.43 7.02 -1.26 -4.80 117.44 121.37 1aqh n TRP 356 Ca -0.04 -0.51 -0.24 0.00 -1.02 0.00 0.00 57.50 55.68 1aqh n TRP 356 Cb 0.44 -0.37 -0.04 0.00 -2.42 0.00 0.00 31.31 28.92 1aqh n TRP 356 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aqh s ALA 357 N -2.00 3.82 -0.33 6.99 0.00 -1.26 -4.78 121.76 124.20 1aqh s ALA 357 Ca 0.31 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 1aqh s ALA 357 Cb 0.24 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 1aqh s ALA 357 CO 0.09 0.43 0.22 0.08 0.00 0.00 0.00 175.76 176.58 1aqh s VAL 358 N -1.85 5.15 0.17 0.00 1.01 -1.26 -4.37 120.40 119.26 1aqh s VAL 358 Ca 0.33 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1aqh s VAL 358 Cb -0.10 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1aqh s VAL 358 CO 0.27 0.01 -0.05 0.42 0.00 0.00 0.00 175.10 175.75 1aqh s THR 359 N 1.70 3.48 -1.29 3.92 -4.23 -0.61 -4.79 115.64 113.82 1aqh s THR 359 Ca 0.06 -1.52 -0.22 0.00 -1.18 0.00 0.00 61.69 58.83 1aqh s THR 359 Cb -0.17 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1aqh s THR 359 CO 0.10 -0.10 0.53 0.59 -0.54 0.00 0.00 174.62 175.20 1aqh n ASN 360 N -0.01 -2.88 -4.74 3.99 3.02 -1.26 -0.49 115.26 112.89 1aqh n ASN 360 Ca -0.10 -1.23 -0.41 0.00 -0.03 0.00 0.00 54.58 52.80 1aqh n ASN 360 Cb 0.55 -2.03 -0.03 0.00 -0.61 0.00 0.00 39.78 37.67 1aqh n ASN 360 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1aqh s TRP 361 N -3.74 3.15 0.01 3.10 -0.11 -1.26 -4.34 118.94 115.75 1aqh s TRP 361 Ca 0.34 1.10 0.01 0.00 1.22 0.00 0.00 56.10 58.77 1aqh s TRP 361 Cb -0.18 -3.71 -0.01 0.00 -1.50 0.00 0.00 33.47 28.08 1aqh s TRP 361 CO 0.96 -2.29 -0.03 -0.46 -4.62 0.00 0.00 176.95 170.51 1aqh s TRP 362 N 0.17 0.28 0.20 5.86 -0.00 0.60 -5.00 118.94 121.05 1aqh s TRP 362 Ca 0.59 -0.24 -0.17 0.00 -0.00 0.00 0.00 56.10 56.28 1aqh s TRP 362 Cb -0.39 -0.18 0.02 0.00 -0.00 0.00 0.00 33.47 32.92 1aqh s TRP 362 CO 0.39 -0.07 0.51 0.16 -0.00 0.00 0.00 176.95 177.95 1aqh s ASP 363 N -0.67 -0.22 -0.25 5.86 1.47 -1.26 -0.81 116.67 120.79 1aqh s ASP 363 Ca -0.05 -0.55 0.13 0.00 1.18 0.00 0.00 52.55 53.26 1aqh s ASP 363 Cb -0.05 0.57 0.76 0.00 -0.34 0.00 0.00 42.92 43.87 1aqh s ASP 363 CO -0.00 -1.06 1.72 -0.46 0.68 0.00 0.00 175.17 176.05 1aqh n ASN 364 N -0.34 5.23 0.00 2.11 6.94 -0.86 -4.89 115.26 123.45 1aqh n ASN 364 Ca -0.09 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 1aqh n ASN 364 Cb 0.62 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1aqh n ASN 364 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1aqh n THR 365 N 0.24 0.00 0.00 5.53 -2.24 -1.26 -4.85 114.28 111.70 1aqh n THR 365 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1aqh n THR 365 Cb 1.21 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1aqh n THR 365 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aqh n ASN 366 N 0.00 0.00 -2.05 3.42 5.15 -1.26 -4.76 115.26 115.75 1aqh n ASN 366 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1aqh n ASN 366 Cb 0.00 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.50 1aqh n ASN 366 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1aqh n ASN 367 N 0.00 4.31 -3.98 1.20 3.02 -1.26 -1.40 115.26 117.14 1aqh n ASN 367 Ca 0.00 -3.40 -0.26 0.00 -0.03 0.00 0.00 54.58 50.89 1aqh n ASN 367 Cb 0.00 -0.78 -0.17 0.00 -0.61 0.00 0.00 39.78 38.22 1aqh n ASN 367 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1aqh s GLN 368 N -3.13 1.68 0.05 3.52 -0.21 -1.26 -0.68 119.66 119.63 1aqh s GLN 368 Ca 0.55 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 55.55 1aqh s GLN 368 Cb 0.46 -1.51 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 1aqh s GLN 368 CO 0.12 -0.09 -0.00 0.96 -2.12 0.00 0.00 175.29 174.16 1aqh s ILE 369 N 1.06 0.19 -0.17 1.08 -4.36 -0.87 -2.03 121.20 116.10 1aqh s ILE 369 Ca -0.07 -1.59 -0.23 0.00 -0.26 0.00 0.00 60.65 58.50 1aqh s ILE 369 Cb -0.15 -1.30 0.06 0.00 1.25 0.00 0.00 42.46 42.33 1aqh s ILE 369 CO -0.01 -0.88 0.61 -0.55 0.24 0.00 0.00 174.94 174.35 1aqh s SER 370 N -2.67 -0.61 0.09 4.36 0.15 0.01 -1.16 113.70 113.88 1aqh s SER 370 Ca 0.03 1.02 -0.26 0.00 0.70 0.00 0.00 55.95 57.45 1aqh s SER 370 Cb 0.05 1.01 0.08 0.00 -1.71 0.00 0.00 66.02 65.45 1aqh s SER 370 CO -0.09 -0.33 0.76 0.72 1.20 0.00 0.00 173.24 175.50 1aqh s PHE 371 N -0.18 -0.41 0.51 3.44 -0.12 -0.89 -0.29 117.98 120.04 1aqh s PHE 371 Ca -0.04 0.21 0.03 0.00 -0.05 0.00 0.00 56.93 57.08 1aqh s PHE 371 Cb -0.03 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1aqh s PHE 371 CO 0.03 -0.74 0.12 0.20 -0.05 0.00 0.00 175.22 174.79 1aqh s GLY 372 N -2.65 2.78 -0.43 1.99 0.00 0.36 -1.66 107.32 107.70 1aqh s GLY 372 Ca 0.04 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 44.01 1aqh s GLY 372 CO -0.09 -2.11 1.01 0.54 0.00 0.00 0.00 173.10 172.45 1aqh n ARG 373 N -1.38 2.63 0.00 2.90 5.12 -0.58 -1.58 116.66 123.78 1aqh n ARG 373 Ca -0.12 -4.18 0.00 0.00 -1.93 0.00 0.00 57.85 51.62 1aqh n ARG 373 Cb 0.66 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1aqh n ARG 373 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aqh n GLY 374 N -0.27 1.39 0.32 -0.13 0.00 -1.26 -2.59 105.19 102.64 1aqh n GLY 374 Ca 0.29 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.69 1aqh n GLY 374 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqh n SER 375 N 1.34 0.94 0.09 1.61 3.41 -1.26 -3.77 113.62 115.98 1aqh n SER 375 Ca 0.00 -1.79 0.07 0.00 -0.26 0.00 0.00 58.87 56.89 1aqh n SER 375 Cb 0.00 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1aqh n SER 375 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1aqh h SER 376 N 1.13 0.00 -5.92 4.04 0.02 -1.82 -3.43 113.55 107.57 1aqh h SER 376 Ca 0.00 0.00 0.38 0.00 -0.84 0.00 0.00 61.79 61.33 1aqh h SER 376 Cb 0.25 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.68 1aqh h SER 376 CO 0.00 0.25 0.95 -0.83 -1.14 0.00 0.00 176.83 176.05 1aqh s GLY 377 N -4.51 -0.39 0.02 -3.77 0.00 -1.25 -1.14 107.32 96.29 1aqh s GLY 377 Ca -0.00 0.65 -0.24 0.00 0.00 0.00 0.00 44.72 45.13 1aqh s GLY 377 CO 0.79 1.99 0.54 -1.58 0.00 0.00 0.00 173.10 174.84 1aqh s HIS 378 N -2.11 -0.46 0.19 1.90 2.46 -0.29 -1.53 115.29 115.45 1aqh s HIS 378 Ca 0.20 0.60 -0.15 0.00 0.47 0.00 0.00 55.06 56.17 1aqh s HIS 378 Cb 0.05 0.35 0.01 0.00 -0.13 0.00 0.00 32.58 32.86 1aqh s HIS 378 CO -0.05 -0.62 0.46 0.00 -2.47 0.00 0.00 174.74 172.06 1aqh s MET 379 N -2.12 1.35 -0.16 2.88 0.23 -0.66 -0.59 119.30 120.21 1aqh s MET 379 Ca -0.07 -0.99 -0.21 0.00 -1.03 0.00 0.00 55.69 53.39 1aqh s MET 379 Cb -0.01 0.48 0.05 0.00 -1.53 0.00 0.00 34.83 33.82 1aqh s MET 379 CO 0.01 -0.55 0.55 0.00 -2.03 0.00 0.00 175.02 173.00 1aqh s ALA 380 N -3.92 -1.38 -0.05 3.16 0.00 -0.35 -2.09 121.76 117.14 1aqh s ALA 380 Ca 0.13 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.54 1aqh s ALA 380 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1aqh s ALA 380 CO -0.01 -0.28 -0.19 0.42 0.00 0.00 0.00 175.76 175.70 1aqh s ILE 381 N -0.11 1.59 -0.29 0.00 1.01 -0.31 -1.47 121.20 121.63 1aqh s ILE 381 Ca -0.03 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1aqh s ILE 381 Cb -0.03 -1.36 0.07 0.00 0.01 0.00 0.00 42.46 41.15 1aqh s ILE 381 CO 0.03 0.45 -0.05 0.21 0.00 0.00 0.00 174.94 175.57 1aqh s ASN 382 N -0.02 4.55 -0.21 3.58 2.47 -0.43 -2.06 114.94 122.83 1aqh s ASN 382 Ca -0.04 -1.66 0.15 0.00 0.42 0.00 0.00 52.86 51.74 1aqh s ASN 382 Cb -0.12 -1.57 0.53 0.00 -1.45 0.00 0.00 41.25 38.65 1aqh s ASN 382 CO 0.03 -0.26 1.45 1.17 -3.72 0.00 0.00 177.10 175.77 1aqh n LYS 383 N 4.38 2.73 -2.79 0.43 4.81 0.14 -1.03 118.16 126.84 1aqh n LYS 383 Ca -0.08 -2.92 -0.22 0.00 -0.87 0.00 0.00 58.31 54.23 1aqh n LYS 383 Cb 0.42 -1.86 0.08 0.00 0.02 0.00 0.00 35.03 33.70 1aqh n LYS 383 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1aqh s GLU 384 N -2.92 2.00 0.00 1.64 0.41 -1.25 -4.79 118.70 113.79 1aqh s GLU 384 Ca 0.43 -1.32 0.27 0.00 -0.41 0.00 0.00 54.97 53.94 1aqh s GLU 384 Cb 0.36 -2.48 0.82 0.00 -1.78 0.00 0.00 34.13 31.05 1aqh s GLU 384 CO 0.07 -1.15 1.61 -0.25 -0.49 0.00 0.00 175.26 175.06 1aqh n ASP 385 N -2.54 1.26 -4.37 -0.19 8.00 -1.26 -3.70 116.55 113.75 1aqh n ASP 385 Ca 0.15 -1.14 -0.19 0.00 0.71 0.00 0.00 54.79 54.31 1aqh n ASP 385 Cb 0.61 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.70 1aqh n ASP 385 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1aqh s SER 386 N -2.32 2.72 0.31 -2.24 1.04 -1.26 -4.76 113.70 107.20 1aqh s SER 386 Ca 0.29 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.39 1aqh s SER 386 Cb 0.20 -0.16 -0.11 0.00 0.10 0.00 0.00 66.02 66.05 1aqh s SER 386 CO 0.45 -0.16 1.55 -0.89 0.98 0.00 0.00 173.24 175.18 1aqh s THR 387 N -2.92 2.11 -0.42 2.02 2.01 -1.26 -4.45 115.64 112.73 1aqh s THR 387 Ca 0.24 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 1aqh s THR 387 Cb -0.01 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1aqh s THR 387 CO 0.08 0.02 0.79 -0.22 -0.69 0.00 0.00 174.62 174.60 1aqh s LEU 388 N -0.96 4.19 -0.12 4.42 2.96 -0.12 -4.89 118.68 124.16 1aqh s LEU 388 Ca 0.60 0.08 0.15 0.00 -0.22 0.00 0.00 54.13 54.73 1aqh s LEU 388 Cb -0.47 -3.00 0.28 0.00 0.50 0.00 0.00 46.19 43.50 1aqh s LEU 388 CO 0.52 -0.85 1.14 0.35 -1.32 0.00 0.00 176.35 176.19 1aqh n THR 389 N 6.03 1.54 -1.83 3.68 -2.24 -1.26 -1.88 114.28 118.31 1aqh n THR 389 Ca 0.03 -2.03 -0.32 0.00 -2.27 0.00 0.00 64.05 59.46 1aqh n THR 389 Cb 0.48 -0.05 0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1aqh n THR 389 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqh s ALA 390 N -2.32 2.65 -0.25 6.98 0.00 -1.26 -4.51 121.76 123.04 1aqh s ALA 390 Ca 0.28 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1aqh s ALA 390 Cb 0.26 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1aqh s ALA 390 CO -0.01 -1.05 0.24 0.99 0.00 0.00 0.00 175.76 175.94 1aqh s THR 391 N -2.62 5.29 0.13 0.00 2.01 -1.26 -1.62 115.64 117.57 1aqh s THR 391 Ca 0.62 0.33 0.09 0.00 0.31 0.00 0.00 61.69 63.05 1aqh s THR 391 Cb -0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1aqh s THR 391 CO 0.43 0.27 -0.17 0.68 -0.69 0.00 0.00 174.62 175.14 1aqh s VAL 392 N 1.48 2.85 0.01 3.82 -7.23 -0.77 -4.96 120.40 115.60 1aqh s VAL 392 Ca 0.11 -1.57 -0.18 0.00 -1.81 0.00 0.00 61.98 58.52 1aqh s VAL 392 Cb -0.15 -2.33 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 1aqh s VAL 392 CO 0.08 0.05 0.52 -1.58 -0.31 0.00 0.00 175.10 173.86 1aqh s GLN 393 N -2.29 4.18 0.37 4.82 2.00 -1.26 -1.69 119.66 125.80 1aqh s GLN 393 Ca 0.19 0.61 0.04 0.00 -2.00 0.00 0.00 55.36 54.20 1aqh s GLN 393 Cb -0.10 -3.29 -0.03 0.00 0.80 0.00 0.00 33.01 30.39 1aqh s GLN 393 CO 0.11 0.51 0.12 0.95 -0.50 0.00 0.00 175.29 176.48 1aqh s THR 394 N -0.61 0.65 -0.24 -0.34 -4.23 -0.58 -4.89 115.64 105.40 1aqh s THR 394 Ca 0.28 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.94 1aqh s THR 394 Cb -0.18 -2.46 0.40 0.00 1.34 0.00 0.00 72.50 71.61 1aqh s THR 394 CO 0.16 0.00 1.30 0.47 -0.54 0.00 0.00 174.62 176.01 1aqh n ASP 395 N -1.12 3.23 -4.87 3.99 8.00 -1.26 -4.76 116.55 119.76 1aqh n ASP 395 Ca -0.04 -2.85 -0.32 0.00 0.71 0.00 0.00 54.79 52.28 1aqh n ASP 395 Cb 0.65 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1aqh n ASP 395 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1aqh s MET 396 N -2.51 3.83 0.37 -1.24 -1.94 -1.26 -4.11 119.30 112.42 1aqh s MET 396 Ca 0.34 0.30 -0.28 0.00 -1.71 0.00 0.00 55.69 54.35 1aqh s MET 396 Cb 0.28 -2.69 -0.10 0.00 2.01 0.00 0.00 34.83 34.33 1aqh s MET 396 CO 0.07 0.34 1.39 0.00 -0.01 0.00 0.00 175.02 176.82 1aqh s ALA 397 N -1.77 3.50 0.62 3.03 0.00 -1.26 -4.59 121.76 121.28 1aqh s ALA 397 Ca 0.46 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1aqh s ALA 397 Cb -0.12 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1aqh s ALA 397 CO 0.21 -0.88 1.20 -1.54 0.00 0.00 0.00 175.76 174.75 1aqh s SER 398 N -0.36 5.06 0.00 0.00 1.04 -1.26 -4.83 113.70 113.35 1aqh s SER 398 Ca 0.52 2.35 0.00 0.00 0.48 0.00 0.00 55.95 59.30 1aqh s SER 398 Cb -0.43 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.10 1aqh s SER 398 CO 0.57 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1aqh n GLY 399 N 0.40 0.29 3.41 7.32 0.00 -0.71 -4.97 105.19 110.94 1aqh n GLY 399 Ca 0.13 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1aqh n GLY 399 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqh s GLN 400 N -2.00 2.98 0.09 1.61 -0.21 -1.26 -1.49 119.66 119.37 1aqh s GLN 400 Ca 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.74 1aqh s GLN 400 Cb 0.00 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1aqh s GLN 400 CO 0.00 0.39 -0.15 0.71 -2.12 0.00 0.00 175.29 174.12 1aqh s TYR 401 N -0.13 1.34 0.04 0.91 1.51 -0.22 0.09 117.35 120.89 1aqh s TYR 401 Ca -0.01 -0.48 -0.27 0.00 -1.01 0.00 0.00 57.07 55.30 1aqh s TYR 401 Cb -0.14 -0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1aqh s TYR 401 CO 0.03 0.10 0.84 0.00 -1.11 0.00 0.00 175.55 175.41 1aqh s ASN 403 N 0.22 5.67 0.00 0.00 3.84 -0.69 -4.61 114.94 119.37 1aqh s ASN 403 Ca 0.43 -0.23 0.03 0.00 0.21 0.00 0.00 52.86 53.30 1aqh s ASN 403 Cb -0.21 -2.55 0.16 0.00 -0.55 0.00 0.00 41.25 38.10 1aqh s ASN 403 CO 0.25 -2.16 0.97 1.33 -2.79 0.00 0.00 177.10 174.70 1aqh n VAL 404 N 6.99 1.23 0.18 -5.21 0.24 -0.80 -1.30 118.33 119.66 1aqh n VAL 404 Ca 0.18 0.31 0.10 0.00 -2.04 0.00 0.00 64.34 62.90 1aqh n VAL 404 Cb 0.50 -1.25 0.11 0.00 -1.47 0.00 0.00 33.84 31.73 1aqh n VAL 404 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1aqh h LEU 405 N 0.00 0.00 -1.75 1.34 4.07 -1.85 -3.34 115.31 113.77 1aqh h LEU 405 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1aqh h LEU 405 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1aqh h LEU 405 CO 0.00 0.08 0.00 0.29 -1.08 0.00 0.00 178.44 177.73 1aqh n LYS 406 N -3.03 0.63 -3.45 1.13 5.02 -0.42 -3.58 118.16 114.45 1aqh n LYS 406 Ca 0.03 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 1aqh n LYS 406 Cb 0.57 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1aqh n LYS 406 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aqh n GLY 407 N 0.02 -1.52 3.21 0.72 0.00 -1.06 -3.92 105.19 102.64 1aqh n GLY 407 Ca 0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1aqh n GLY 407 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqh s GLU 408 N -1.27 1.08 0.25 1.61 -1.05 -1.26 -4.03 118.70 114.03 1aqh s GLU 408 Ca 0.00 -1.48 -0.30 0.00 -0.15 0.00 0.00 54.97 53.05 1aqh s GLU 408 Cb 0.00 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 1aqh s GLU 408 CO 0.00 -0.34 1.03 -1.17 0.95 0.00 0.00 175.26 175.73 1aqh s LEU 409 N -3.08 4.59 0.79 1.83 2.96 -1.26 -1.61 118.68 122.89 1aqh s LEU 409 Ca 0.29 2.12 -0.11 0.00 -0.22 0.00 0.00 54.13 56.21 1aqh s LEU 409 Cb 0.07 -3.62 0.06 0.00 0.50 0.00 0.00 46.19 43.20 1aqh s LEU 409 CO 0.06 -0.03 1.09 -0.94 -1.32 0.00 0.00 176.35 175.21 1aqh s SER 410 N -0.92 4.50 0.31 3.68 1.04 -0.12 -4.91 113.70 117.29 1aqh s SER 410 Ca 0.43 1.52 0.07 0.00 0.48 0.00 0.00 55.95 58.45 1aqh s SER 410 Cb -0.29 -2.27 0.75 0.00 0.10 0.00 0.00 66.02 64.31 1aqh s SER 410 CO 0.37 -1.99 1.79 0.00 0.98 0.00 0.00 173.24 174.39 1aqh h ALA 411 N -1.10 1.71 -0.26 5.32 0.00 -1.96 0.11 119.26 123.09 1aqh h ALA 411 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1aqh h ALA 411 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1aqh h ALA 411 CO 0.56 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 1aqh n ASP 412 N -4.72 1.79 -1.98 0.00 5.75 -1.26 -4.93 116.55 111.21 1aqh n ASP 412 Ca 0.23 -1.84 -0.17 0.00 -0.01 0.00 0.00 54.79 52.99 1aqh n ASP 412 Cb 0.56 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.44 1aqh n ASP 412 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aqh n ALA 413 N 0.44 -0.48 0.71 2.12 0.00 0.03 -4.86 120.51 118.46 1aqh n ALA 413 Ca 0.14 0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.89 1aqh n ALA 413 Cb 0.32 -1.83 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 1aqh n ALA 413 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aqh n LYS 414 N -2.55 0.19 -3.87 0.00 4.01 -1.26 0.11 118.16 114.78 1aqh n LYS 414 Ca -0.19 -0.05 -0.09 0.00 -0.51 0.00 0.00 58.31 57.47 1aqh n LYS 414 Cb 0.61 -1.51 -0.04 0.00 -0.51 0.00 0.00 35.03 33.57 1aqh n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1aqh s SER 415 N -3.46 -0.16 0.32 4.39 1.04 -1.26 -4.66 113.70 109.90 1aqh s SER 415 Ca 0.04 -0.70 0.11 0.00 0.48 0.00 0.00 55.95 55.87 1aqh s SER 415 Cb 0.15 0.58 -0.06 0.00 0.10 0.00 0.00 66.02 66.80 1aqh s SER 415 CO 0.87 -1.10 -0.13 0.00 0.98 0.00 0.00 173.24 173.86 1aqh n SER 417 N -0.74 0.54 -0.21 0.00 3.41 -0.63 -4.93 113.62 111.06 1aqh n SER 417 Ca -0.05 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1aqh n SER 417 Cb 0.62 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 1aqh n SER 417 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqh n GLY 418 N 1.33 7.47 3.75 5.00 0.00 -1.25 -4.86 105.19 116.63 1aqh n GLY 418 Ca 0.01 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1aqh n GLY 418 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqh s GLU 419 N 0.68 2.45 -0.10 1.61 -1.05 -1.26 -4.84 118.70 116.19 1aqh s GLU 419 Ca 0.00 1.46 -0.04 0.00 -0.15 0.00 0.00 54.97 56.24 1aqh s GLU 419 Cb 0.00 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.75 1aqh s GLU 419 CO 0.00 -1.54 0.06 0.08 0.95 0.00 0.00 175.26 174.81 1aqh s VAL 420 N -2.35 4.83 -0.08 1.83 1.01 -1.26 -1.71 120.40 122.66 1aqh s VAL 420 Ca 0.68 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1aqh s VAL 420 Cb -0.22 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1aqh s VAL 420 CO 0.45 0.61 -0.12 -0.63 0.00 0.00 0.00 175.10 175.41 1aqh s ILE 421 N -0.94 3.19 -0.17 2.22 -1.09 0.62 -4.92 121.20 120.11 1aqh s ILE 421 Ca 0.14 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.87 1aqh s ILE 421 Cb -0.12 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1aqh s ILE 421 CO 0.03 0.57 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.38 1aqh s THR 422 N -0.35 3.79 -0.38 2.92 2.01 -1.26 -1.06 115.64 121.30 1aqh s THR 422 Ca 0.04 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1aqh s THR 422 Cb -0.13 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1aqh s THR 422 CO 0.02 0.47 0.26 -0.69 -0.69 0.00 0.00 174.62 174.00 1aqh s VAL 423 N 0.67 5.13 1.11 3.82 1.01 -0.56 -4.44 120.40 127.14 1aqh s VAL 423 Ca -0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1aqh s VAL 423 Cb -0.14 -3.79 0.25 0.00 0.00 0.00 0.00 36.38 32.70 1aqh s VAL 423 CO 0.02 -0.20 1.05 0.20 0.00 0.00 0.00 175.10 176.17 1aqh s ASN 424 N 1.67 1.49 0.62 3.32 0.01 0.38 -1.73 114.94 120.69 1aqh s ASN 424 Ca 0.05 1.53 0.34 0.00 -0.71 0.00 0.00 52.86 54.07 1aqh s ASN 424 Cb -0.19 -2.25 1.96 0.00 0.41 0.00 0.00 41.25 41.18 1aqh s ASN 424 CO 0.09 -3.89 2.25 0.77 -1.51 0.00 0.00 177.10 174.81 1aqh h SER 425 N -2.41 0.00 -0.50 -1.22 4.64 -1.97 -0.39 113.55 111.70 1aqh h SER 425 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1aqh h SER 425 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1aqh h SER 425 CO 0.51 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 1aqh n ASP 426 N -3.57 2.83 0.00 4.97 5.68 -1.26 -4.87 116.55 120.33 1aqh n ASP 426 Ca -0.02 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 1aqh n ASP 426 Cb 0.14 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 1aqh n ASP 426 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aqh n GLY 427 N 1.26 0.83 3.93 6.12 0.00 -0.16 -4.85 105.19 112.32 1aqh n GLY 427 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1aqh n GLY 427 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aqh s THR 428 N -3.29 5.03 -0.07 2.61 -4.23 -1.26 -1.53 115.64 112.91 1aqh s THR 428 Ca 0.00 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1aqh s THR 428 Cb 0.00 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1aqh s THR 428 CO 0.00 -0.64 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.63 1aqh s ILE 429 N -2.44 1.55 -0.72 2.99 1.01 -0.68 -0.47 121.20 122.44 1aqh s ILE 429 Ca 0.43 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1aqh s ILE 429 Cb -0.10 -1.35 0.14 0.00 0.01 0.00 0.00 42.46 41.15 1aqh s ILE 429 CO 0.38 0.45 0.81 0.20 0.00 0.00 0.00 174.94 176.78 1aqh s ASN 430 N 0.29 6.42 0.73 3.58 -0.87 -1.26 -1.84 114.94 121.98 1aqh s ASN 430 Ca -0.11 -1.86 -0.16 0.00 -1.57 0.00 0.00 52.86 49.16 1aqh s ASN 430 Cb -0.15 -2.30 0.04 0.00 -0.02 0.00 0.00 41.25 38.82 1aqh s ASN 430 CO 0.05 -0.98 1.25 -0.76 -2.57 0.00 0.00 177.10 174.09 1aqh s LEU 431 N 2.10 3.35 -0.48 0.60 1.43 -0.64 -4.99 118.68 120.05 1aqh s LEU 431 Ca 0.18 2.50 0.06 0.00 -1.03 0.00 0.00 54.13 55.84 1aqh s LEU 431 Cb -0.17 -4.60 0.22 0.00 0.03 0.00 0.00 46.19 41.67 1aqh s LEU 431 CO -0.01 -2.36 0.74 -3.20 0.23 0.00 0.00 176.35 171.75 1aqh n ASN 432 N -2.62 -2.47 -4.20 2.29 5.15 -1.15 -4.20 115.26 108.05 1aqh n ASN 432 Ca 0.15 -3.01 -0.33 0.00 -0.60 0.00 0.00 54.58 50.79 1aqh n ASN 432 Cb 0.49 1.26 -0.16 0.00 -0.53 0.00 0.00 39.78 40.85 1aqh n ASN 432 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aqh s ILE 433 N 0.46 2.37 1.14 -1.44 1.01 -0.79 -4.97 121.20 118.98 1aqh s ILE 433 Ca 0.32 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1aqh s ILE 433 Cb 0.13 -1.99 0.26 0.00 0.01 0.00 0.00 42.46 40.86 1aqh s ILE 433 CO -0.16 0.52 1.06 -0.83 0.00 0.00 0.00 174.94 175.54 1aqh s GLY 434 N 1.00 1.54 0.32 6.18 0.00 -1.26 -0.94 107.32 114.17 1aqh s GLY 434 Ca -0.02 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 1aqh s GLY 434 CO -0.04 0.23 1.46 0.00 0.00 0.00 0.00 173.10 174.74 1aqh n ALA 435 N -4.67 1.98 -3.66 3.20 0.00 -1.26 -2.97 120.51 113.13 1aqh n ALA 435 Ca 0.07 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 1aqh n ALA 435 Cb 0.58 -2.37 0.05 0.00 0.00 0.00 0.00 19.45 17.71 1aqh n ALA 435 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1aqh n TRP 436 N 1.11 -2.21 -4.26 0.00 7.02 -0.19 -5.00 117.44 113.90 1aqh n TRP 436 Ca 0.06 0.91 -0.16 0.00 -1.02 0.00 0.00 57.50 57.28 1aqh n TRP 436 Cb 0.36 -4.58 -0.09 0.00 -2.42 0.00 0.00 31.31 24.58 1aqh n TRP 436 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1aqh s ASP 437 N -3.99 1.07 0.23 -0.99 -1.08 -0.99 -5.00 116.67 105.92 1aqh s ASP 437 Ca 0.22 -1.58 -0.17 0.00 -0.52 0.00 0.00 52.55 50.51 1aqh s ASP 437 Cb -0.11 0.45 0.01 0.00 -1.46 0.00 0.00 42.92 41.82 1aqh s ASP 437 CO 0.78 -0.94 0.55 0.00 0.52 0.00 0.00 175.17 176.08 1aqh s ALA 438 N -3.75 -0.75 0.01 3.66 0.00 -1.26 -1.31 121.76 118.35 1aqh s ALA 438 Ca 0.39 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 1aqh s ALA 438 Cb 0.05 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1aqh s ALA 438 CO 0.20 -0.87 0.03 0.00 0.00 0.00 0.00 175.76 175.11 1aqh s MET 439 N -3.93 0.31 -0.14 0.00 0.23 -0.54 -4.94 119.30 110.29 1aqh s MET 439 Ca 0.14 -0.42 -0.06 0.00 -1.03 0.00 0.00 55.69 54.31 1aqh s MET 439 Cb -0.02 0.12 0.06 0.00 -1.53 0.00 0.00 34.83 33.46 1aqh s MET 439 CO 0.04 -0.06 0.31 0.00 -2.03 0.00 0.00 175.02 173.28 1aqh s ALA 440 N -1.16 -0.75 0.08 3.16 0.00 -1.26 -1.21 121.76 120.62 1aqh s ALA 440 Ca -0.13 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.08 1aqh s ALA 440 Cb -0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1aqh s ALA 440 CO -0.00 -0.37 -0.17 0.96 0.00 0.00 0.00 175.76 176.17 1aqh s ILE 441 N 1.69 1.39 0.05 0.00 -4.36 0.24 -1.90 121.20 118.31 1aqh s ILE 441 Ca -0.06 -1.35 -0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1aqh s ILE 441 Cb -0.10 -1.29 -0.04 0.00 1.25 0.00 0.00 42.46 42.28 1aqh s ILE 441 CO -0.10 -0.10 -0.04 -1.38 0.24 0.00 0.00 174.94 173.56 1aqh s HIS 442 N -1.14 0.56 0.63 1.37 -3.43 -1.26 -1.14 115.29 110.88 1aqh s HIS 442 Ca 0.02 -0.93 0.32 0.00 -0.80 0.00 0.00 55.06 53.68 1aqh s HIS 442 Cb -0.10 -0.39 1.78 0.00 -1.43 0.00 0.00 32.58 32.45 1aqh s HIS 442 CO 0.03 -0.29 2.07 1.57 -2.00 0.00 0.00 174.74 176.12 1aqh h LYS 443 N 3.40 0.00 -0.63 -0.38 2.10 -1.39 -2.30 116.57 117.37 1aqh h LYS 443 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1aqh h LYS 443 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1aqh h LYS 443 CO 0.61 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.15 1aqh n ASN 444 N -3.33 4.98 -2.66 7.07 3.02 -1.26 -4.16 115.26 118.92 1aqh n ASN 444 Ca 0.00 -2.71 -0.09 0.00 -0.03 0.00 0.00 54.58 51.75 1aqh n ASN 444 Cb 0.33 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1aqh n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aqh n ALA 445 N 0.68 3.39 -2.75 5.41 0.00 -0.86 -5.01 120.51 121.36 1aqh n ALA 445 Ca 0.24 -3.15 -0.36 0.00 0.00 0.00 0.00 53.44 50.17 1aqh n ALA 445 Cb 1.02 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 1aqh n ALA 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aqh s LYS 446 N -3.47 4.05 0.78 0.00 2.20 -1.26 -1.74 119.74 120.30 1aqh s LYS 446 Ca 0.31 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.68 1aqh s LYS 446 Cb 0.40 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 33.41 1aqh s LYS 446 CO -0.01 0.39 1.12 -0.51 -0.36 0.00 0.00 175.35 175.99 1aqh s LEU 447 N 0.06 3.10 0.00 5.43 1.43 0.11 -4.97 118.68 123.84 1aqh s LEU 447 Ca 0.12 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1aqh s LEU 447 Cb -0.12 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1aqh s LEU 447 CO 0.01 -2.24 0.00 -0.46 0.23 0.00 0.00 176.35 173.88