#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uaa s LEU 3 N 0.00 4.03 0.17 0.55 1.02 -1.26 -5.01 118.68 118.18 1uaa s LEU 3 Ca 0.00 0.47 -0.31 0.00 0.02 0.00 0.00 54.13 54.30 1uaa s LEU 3 Cb 0.00 -3.20 -0.10 0.00 0.02 0.00 0.00 46.19 42.91 1uaa s LEU 3 CO 0.00 -0.86 1.54 0.54 0.02 0.00 0.00 176.35 177.60 1uaa s ASN 4 N 1.92 6.60 0.00 2.29 6.03 -1.26 -4.41 114.94 126.12 1uaa s ASN 4 Ca 0.36 2.61 0.00 0.00 -1.03 0.00 0.00 52.86 54.81 1uaa s ASN 4 Cb -0.12 -2.60 0.00 0.00 -3.03 0.00 0.00 41.25 35.50 1uaa s ASN 4 CO 0.19 -0.80 0.00 -2.65 -2.03 0.00 0.00 177.10 171.81 1uaa n PRO 5 N 3.75 0.00 0.12 3.55 -0.02 -1.26 0.23 135.00 141.37 1uaa n PRO 5 Ca 0.13 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.46 1uaa n PRO 5 Cb 0.39 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.79 1uaa n PRO 5 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1uaa h GLY 6 N 0.00 -0.90 -0.36 -1.23 0.00 -1.89 0.71 103.07 99.41 1uaa h GLY 6 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 47.33 47.93 1uaa h GLY 6 CO 0.00 -0.27 -0.42 1.46 0.00 0.00 0.00 176.54 177.30 1uaa h GLN 7 N -0.68 -0.28 -0.50 4.80 4.20 -0.55 0.32 115.11 122.42 1uaa h GLN 7 Ca 0.01 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1uaa h GLN 7 Cb 0.70 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.44 1uaa h GLN 7 CO -0.24 -0.19 -0.30 0.37 -0.67 0.00 0.00 178.83 177.80 1uaa h GLN 8 N -0.29 -0.18 0.18 1.46 5.75 0.15 0.18 115.11 122.37 1uaa h GLN 8 Ca 0.15 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1uaa h GLN 8 Cb 0.57 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 1uaa h GLN 8 CO -0.61 -0.12 -0.29 0.37 -2.65 0.00 0.00 178.83 175.53 1uaa h GLN 9 N -0.18 -0.52 -0.79 1.69 4.15 0.39 -0.22 115.11 119.63 1uaa h GLN 9 Ca 0.21 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.82 1uaa h GLN 9 Cb 0.53 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1uaa h GLN 9 CO -0.61 -0.35 0.52 0.00 -1.93 0.00 0.00 178.83 176.47 1uaa h ALA 10 N 0.12 2.06 -0.40 3.38 0.00 0.08 0.16 119.26 124.67 1uaa h ALA 10 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1uaa h ALA 10 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1uaa h ALA 10 CO -0.13 -0.28 -0.08 0.28 0.00 0.00 0.00 179.25 179.04 1uaa h VAL 11 N 0.47 1.27 0.00 0.00 2.07 0.41 -3.22 116.25 117.26 1uaa h VAL 11 Ca 0.39 -1.16 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1uaa h VAL 11 Cb 0.84 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1uaa h VAL 11 CO -0.14 0.39 -0.66 -0.33 0.02 0.00 0.00 177.57 176.85 1uaa h GLU 12 N 0.57 0.00 -5.92 1.57 5.08 0.98 -3.42 114.58 113.44 1uaa h GLU 12 Ca 0.10 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.00 1uaa h GLU 12 Cb 0.60 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1uaa h GLU 12 CO 0.04 0.66 1.19 0.12 -1.00 0.00 0.00 179.01 180.01 1uaa s PHE 13 N -3.02 2.22 -0.86 4.33 5.36 -0.40 -4.70 117.98 120.91 1uaa s PHE 13 Ca 0.02 -0.21 0.14 0.00 -0.96 0.00 0.00 56.93 55.92 1uaa s PHE 13 Cb 0.09 -4.41 0.42 0.00 -0.34 0.00 0.00 43.02 38.78 1uaa s PHE 13 CO 0.76 -1.84 1.35 1.33 -1.46 0.00 0.00 175.22 175.37 1uaa n VAL 14 N 7.32 1.36 -0.33 3.12 0.24 -1.26 -4.65 118.33 124.12 1uaa n VAL 14 Ca 0.37 -1.21 0.08 0.00 -2.04 0.00 0.00 64.34 61.54 1uaa n VAL 14 Cb 0.49 0.30 0.23 0.00 -1.47 0.00 0.00 33.84 33.39 1uaa n VAL 14 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1uaa n THR 15 N 0.43 1.16 -4.01 3.34 -2.24 -1.26 -4.90 114.28 106.81 1uaa n THR 15 Ca 0.16 -1.08 0.04 0.00 -2.27 0.00 0.00 64.05 60.90 1uaa n THR 15 Cb 0.59 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1uaa n THR 15 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uaa s GLY 16 N -1.05 -0.19 -0.21 3.38 0.00 -1.26 -4.92 107.32 103.06 1uaa s GLY 16 Ca 0.35 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 1uaa s GLY 16 CO 0.21 6.27 2.18 -1.55 0.00 0.00 0.00 173.10 180.22 1uaa n PRO 17 N -0.94 1.92 -4.59 2.90 -0.04 -0.78 -4.02 135.00 129.44 1uaa n PRO 17 Ca 0.05 0.55 -0.24 0.00 -0.04 0.00 0.00 63.50 63.82 1uaa n PRO 17 Cb 0.58 -3.08 -0.14 0.00 -0.04 0.00 0.00 33.50 30.83 1uaa n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uaa s LEU 19 N -1.07 1.16 -0.26 0.00 2.96 -0.96 -1.64 118.68 118.88 1uaa s LEU 19 Ca 0.06 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1uaa s LEU 19 Cb -0.08 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1uaa s LEU 19 CO 0.01 -0.10 0.11 -0.69 -1.32 0.00 0.00 176.35 174.37 1uaa s VAL 20 N 1.48 4.65 -1.11 1.68 1.01 -0.68 -0.44 120.40 126.98 1uaa s VAL 20 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1uaa s VAL 20 Cb -0.13 -3.20 0.28 0.00 0.00 0.00 0.00 36.38 33.33 1uaa s VAL 20 CO -0.05 0.30 1.33 -0.11 0.00 0.00 0.00 175.10 176.57 1uaa n LEU 21 N 4.97 5.96 -4.62 3.92 7.94 0.52 -1.70 117.00 133.99 1uaa n LEU 21 Ca -0.15 -5.07 -0.43 0.00 -1.11 0.00 0.00 56.01 49.25 1uaa n LEU 21 Cb 0.51 -1.40 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 1uaa n LEU 21 CO 0.32 1.47 1.37 0.00 -1.11 0.00 0.00 177.39 179.44 1uaa s ALA 22 N -1.73 3.17 0.88 1.96 0.00 -0.08 -2.76 121.76 123.21 1uaa s ALA 22 Ca 0.32 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 1uaa s ALA 22 Cb -0.02 -3.89 0.12 0.00 0.00 0.00 0.00 23.12 19.33 1uaa s ALA 22 CO 0.01 -2.12 1.10 0.20 0.00 0.00 0.00 175.76 174.95 1uaa s GLY 23 N 4.49 1.60 0.20 0.00 0.00 -0.27 -4.33 107.32 109.02 1uaa s GLY 23 Ca 0.71 -0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.86 1uaa s GLY 23 CO 0.30 0.25 1.56 0.00 0.00 0.00 0.00 173.10 175.21 1uaa n ALA 24 N -3.76 1.66 -1.17 3.20 0.00 -1.26 -2.55 120.51 116.63 1uaa n ALA 24 Ca 0.07 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 1uaa n ALA 24 Cb 0.57 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 1uaa n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uaa n GLY 25 N 3.01 0.81 0.12 0.00 0.00 -1.26 -4.73 105.19 103.14 1uaa n GLY 25 Ca 0.14 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1uaa n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uaa h SER 26 N 0.00 0.00 -0.26 1.61 4.64 -1.66 -1.88 113.55 116.00 1uaa h SER 26 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1uaa h SER 26 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1uaa h SER 26 CO 0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1uaa n GLY 27 N 1.12 1.02 0.28 -0.77 0.00 -1.26 -4.90 105.19 100.68 1uaa n GLY 27 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1uaa n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uaa h LYS 28 N 0.00 -0.02 -0.11 1.61 2.10 -1.92 0.29 116.57 118.51 1uaa h LYS 28 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1uaa h LYS 28 Cb 0.58 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1uaa h LYS 28 CO 0.00 -0.01 0.16 1.15 -2.00 0.00 0.00 179.45 178.74 1uaa h THR 29 N -0.02 0.37 0.09 0.07 2.02 -1.99 0.54 112.91 113.98 1uaa h THR 29 Ca 0.33 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 1uaa h THR 29 Cb 0.53 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1uaa h THR 29 CO -0.73 0.00 -0.04 -0.09 0.37 0.00 0.00 175.52 175.02 1uaa h ARG 30 N 0.00 -0.12 0.01 6.66 2.43 -0.83 -1.97 114.38 120.56 1uaa h ARG 30 Ca 0.05 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1uaa h ARG 30 Cb 0.36 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1uaa h ARG 30 CO -0.00 0.30 -0.49 0.28 -1.51 0.00 0.00 179.97 178.55 1uaa h VAL 31 N -0.57 0.00 -0.49 0.20 2.07 0.22 0.76 116.25 118.44 1uaa h VAL 31 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1uaa h VAL 31 Cb 0.47 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 1uaa h VAL 31 CO 0.02 0.00 -0.32 0.40 0.02 0.00 0.00 177.57 177.69 1uaa h ILE 32 N -0.61 0.21 0.07 4.57 2.04 -1.07 2.19 117.51 124.90 1uaa h ILE 32 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1uaa h ILE 32 Cb 0.65 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1uaa h ILE 32 CO -0.32 0.00 -0.20 0.74 0.00 0.00 0.00 178.15 178.37 1uaa h THR 33 N -0.20 0.00 -0.90 -0.27 2.02 -0.81 0.51 112.91 113.27 1uaa h THR 33 Ca 0.21 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.63 1uaa h THR 33 Cb 0.54 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1uaa h THR 33 CO -0.60 0.00 0.63 0.78 0.37 0.00 0.00 175.52 176.70 1uaa h ASN 34 N -0.30 0.11 0.53 4.18 4.21 0.23 0.52 115.58 125.06 1uaa h ASN 34 Ca -0.01 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 1uaa h ASN 34 Cb 0.29 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1uaa h ASN 34 CO -0.10 0.04 -0.25 0.50 -1.29 0.00 0.00 177.43 176.33 1uaa h LYS 35 N 0.11 -0.69 0.00 0.81 1.63 0.55 0.03 116.57 119.01 1uaa h LYS 35 Ca 0.44 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1uaa h LYS 35 Cb 1.58 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1uaa h LYS 35 CO -0.06 -0.42 0.00 -0.89 -3.45 0.00 0.00 179.45 174.64 1uaa n ILE 36 N -5.36 0.00 -0.24 2.00 5.41 0.15 0.94 119.36 122.26 1uaa n ILE 36 Ca -0.12 1.50 0.13 0.00 1.00 0.00 0.00 62.75 65.26 1uaa n ILE 36 Cb 0.31 -2.25 0.25 0.00 -0.71 0.00 0.00 39.64 37.24 1uaa n ILE 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1uaa n ALA 37 N -2.48 0.44 0.11 -1.39 0.00 0.64 0.36 120.51 118.19 1uaa n ALA 37 Ca 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 53.44 54.07 1uaa n ALA 37 Cb 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 1uaa n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uaa h HIS 38 N 0.00 -0.32 -0.91 0.00 -0.00 0.11 -1.90 115.15 112.13 1uaa h HIS 38 Ca 0.46 -0.01 0.34 0.00 -0.00 0.00 0.00 60.37 61.16 1uaa h HIS 38 Cb 1.03 0.11 -0.17 0.00 -0.00 0.00 0.00 27.41 28.38 1uaa h HIS 38 CO -0.28 0.04 0.33 1.28 -0.00 0.00 0.00 177.93 179.30 1uaa n LEU 39 N -5.02 0.17 0.00 0.26 4.77 0.27 0.68 117.00 118.12 1uaa n LEU 39 Ca -0.08 1.53 0.00 0.00 -0.03 0.00 0.00 56.01 57.43 1uaa n LEU 39 Cb 0.25 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1uaa n LEU 39 CO 0.24 -1.65 0.20 -0.38 -1.33 0.00 0.00 177.39 174.47 1uaa n ILE 40 N -5.16 0.00 0.32 -0.08 5.41 -0.54 -3.06 119.36 116.25 1uaa n ILE 40 Ca 0.30 0.83 0.20 0.00 1.00 0.00 0.00 62.75 65.09 1uaa n ILE 40 Cb 1.01 -1.71 1.06 0.00 -0.71 0.00 0.00 39.64 39.29 1uaa n ILE 40 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1uaa h ARG 41 N 0.00 0.00 -0.00 0.38 3.08 -0.86 -1.77 114.38 115.21 1uaa h ARG 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uaa h ARG 41 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1uaa h ARG 41 CO 0.00 0.01 -0.27 0.41 -1.07 0.00 0.00 179.97 179.05 1uaa n GLY 42 N -0.89 0.14 1.45 0.04 0.00 0.21 -4.62 105.19 101.52 1uaa n GLY 42 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.82 1uaa n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uaa n GLY 44 N 0.46 0.17 0.52 0.00 0.00 -0.67 -4.82 105.19 100.85 1uaa n GLY 44 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1uaa n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uaa n TYR 45 N 0.00 0.00 -1.39 1.61 4.01 -1.24 -4.59 117.16 115.56 1uaa n TYR 45 Ca 0.00 0.00 -0.52 0.00 -0.16 0.00 0.00 57.90 57.22 1uaa n TYR 45 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1uaa n TYR 45 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1uaa n GLN 46 N -0.02 0.00 -0.35 -0.72 6.02 -1.26 -4.13 117.38 116.91 1uaa n GLN 46 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1uaa n GLN 46 Cb 0.00 -1.25 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 1uaa n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uaa h ALA 47 N 2.15 -0.27 0.00 -1.58 0.00 -1.82 0.41 119.26 118.15 1uaa h ALA 47 Ca -0.40 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1uaa h ALA 47 Cb 1.36 1.16 0.00 0.00 0.00 0.00 0.00 17.79 20.31 1uaa h ALA 47 CO 0.59 -0.83 0.00 2.89 0.00 0.00 0.00 179.25 181.90 1uaa n ARG 48 N -5.36 0.00 -0.05 0.00 1.85 -1.14 -0.64 116.66 111.32 1uaa n ARG 48 Ca 0.05 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.92 1uaa n ARG 48 Cb 0.33 -1.45 0.05 0.00 -1.05 0.00 0.00 32.46 30.35 1uaa n ARG 48 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1uaa n HIS 49 N -0.83 0.13 -4.48 2.89 8.25 0.14 -4.86 115.22 116.47 1uaa n HIS 49 Ca 0.00 -0.27 -0.34 0.00 -0.26 0.00 0.00 57.72 56.85 1uaa n HIS 49 Cb 0.00 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 30.96 1uaa n HIS 49 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1uaa s ILE 50 N -0.77 3.65 -0.15 1.59 1.01 0.19 0.01 121.20 126.74 1uaa s ILE 50 Ca 0.10 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1uaa s ILE 50 Cb 0.06 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1uaa s ILE 50 CO 0.08 0.50 -0.18 0.00 0.00 0.00 0.00 174.94 175.34 1uaa s ALA 51 N 0.40 2.40 -0.34 9.38 0.00 -0.56 -1.75 121.76 131.28 1uaa s ALA 51 Ca -0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1uaa s ALA 51 Cb -0.15 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 21.91 1uaa s ALA 51 CO 0.04 -0.01 0.09 0.00 0.00 0.00 0.00 175.76 175.88 1uaa s ALA 52 N 0.78 2.99 0.01 0.00 0.00 -1.16 -0.74 121.76 123.63 1uaa s ALA 52 Ca -0.07 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.00 1uaa s ALA 52 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1uaa s ALA 52 CO -0.00 -1.41 0.02 0.08 0.00 0.00 0.00 175.76 174.46 1uaa s VAL 53 N 1.30 4.30 0.35 0.00 1.01 -0.39 -1.36 120.40 125.61 1uaa s VAL 53 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1uaa s VAL 53 Cb -0.20 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1uaa s VAL 53 CO 0.00 0.34 0.47 0.42 0.00 0.00 0.00 175.10 176.33 1uaa s THR 54 N -1.14 0.00 -0.18 3.92 -4.23 -0.81 -1.48 115.64 111.72 1uaa s THR 54 Ca 0.21 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1uaa s THR 54 Cb -0.12 -2.65 -0.22 0.00 1.34 0.00 0.00 72.50 70.85 1uaa s THR 54 CO 0.12 0.00 0.11 0.49 -0.54 0.00 0.00 174.62 174.80 1uaa n PHE 55 N -0.59 0.48 -4.03 3.99 3.01 -1.26 -1.72 117.46 117.34 1uaa n PHE 55 Ca 0.02 0.12 -0.27 0.00 1.01 0.00 0.00 57.45 58.33 1uaa n PHE 55 Cb 0.61 -1.07 -0.05 0.00 -0.01 0.00 0.00 39.48 38.97 1uaa n PHE 55 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uaa s THR 56 N -2.53 4.80 -1.28 4.37 -4.23 -1.26 -4.57 115.64 110.93 1uaa s THR 56 Ca -0.23 -0.90 0.19 0.00 -1.18 0.00 0.00 61.69 59.58 1uaa s THR 56 Cb 0.08 -3.44 0.27 0.00 1.34 0.00 0.00 72.50 70.74 1uaa s THR 56 CO 0.72 -0.07 1.59 -3.20 -0.54 0.00 0.00 174.62 173.12 1uaa n ASN 57 N -0.31 0.00 -0.02 3.99 5.15 -1.26 -1.98 115.26 120.83 1uaa n ASN 57 Ca -0.08 0.18 -0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1uaa n ASN 57 Cb 0.54 -0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1uaa n ASN 57 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1uaa h LYS 58 N 0.00 0.00 -0.97 1.20 3.64 -1.99 -2.86 116.57 115.59 1uaa h LYS 58 Ca 0.00 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.73 1uaa h LYS 58 Cb 0.23 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 31.87 1uaa h LYS 58 CO 0.00 0.00 0.30 0.00 -2.27 0.00 0.00 179.45 177.48 1uaa n ALA 59 N -2.41 0.78 -0.20 5.00 0.00 -1.11 0.12 120.51 122.70 1uaa n ALA 59 Ca -0.01 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.45 1uaa n ALA 59 Cb 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1uaa n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uaa n ALA 60 N -2.67 -0.18 -0.30 0.00 0.00 -0.84 0.13 120.51 116.65 1uaa n ALA 60 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.76 1uaa n ALA 60 Cb 1.03 0.25 0.20 0.00 0.00 0.00 0.00 19.45 20.94 1uaa n ALA 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1uaa h ARG 61 N 0.00 1.09 -0.20 0.00 0.11 0.12 -0.16 114.38 115.34 1uaa h ARG 61 Ca 0.00 -0.07 0.02 0.00 0.10 0.00 0.00 59.98 60.03 1uaa h ARG 61 Cb 0.00 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 30.81 1uaa h ARG 61 CO 0.00 0.72 0.07 1.49 0.10 0.00 0.00 179.97 182.35 1uaa h GLU 62 N 1.12 0.16 -0.58 0.08 4.81 -0.20 0.22 114.58 120.18 1uaa h GLU 62 Ca 0.34 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1uaa h GLU 62 Cb -0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1uaa h GLU 62 CO -0.10 0.10 0.24 1.98 -0.73 0.00 0.00 179.01 180.50 1uaa h MET 63 N 0.16 0.86 -0.90 1.92 4.05 0.22 -2.03 114.93 119.22 1uaa h MET 63 Ca 0.09 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1uaa h MET 63 Cb 0.06 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.66 1uaa h MET 63 CO -0.09 0.74 0.59 0.87 0.23 0.00 0.00 176.91 179.24 1uaa h LYS 64 N 0.79 1.11 0.06 0.39 1.57 -0.47 -1.67 116.57 118.35 1uaa h LYS 64 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1uaa h LYS 64 Cb 0.19 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1uaa h LYS 64 CO -0.02 0.73 -0.23 0.93 -0.57 0.00 0.00 179.45 180.30 1uaa h GLU 65 N 1.14 -0.32 -0.22 3.15 5.08 0.14 -1.80 114.58 121.74 1uaa h GLU 65 Ca 0.36 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1uaa h GLU 65 Cb 0.00 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1uaa h GLU 65 CO -0.12 -0.22 -0.06 -0.09 -1.00 0.00 0.00 179.01 177.52 1uaa h ARG 66 N -0.33 -0.01 -0.56 2.33 9.65 -1.33 -1.34 114.38 122.79 1uaa h ARG 66 Ca -0.00 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 1uaa h ARG 66 Cb 0.33 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.83 1uaa h ARG 66 CO -0.12 -0.01 -0.54 0.28 2.80 0.00 0.00 179.97 182.38 1uaa h VAL 67 N -0.01 0.00 0.00 0.20 2.07 -1.20 0.77 116.25 118.08 1uaa h VAL 67 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1uaa h VAL 67 Cb 0.18 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1uaa h VAL 67 CO -0.24 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.56 1uaa h GLY 68 N -0.27 0.00 2.00 2.17 0.00 -1.05 0.56 103.07 106.48 1uaa h GLY 68 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1uaa h GLY 68 CO -0.67 0.00 0.00 -1.61 0.00 0.00 0.00 176.54 174.26 1uaa h GLN 69 N 0.00 0.00 0.00 4.80 5.75 0.16 -3.32 115.11 122.51 1uaa h GLN 69 Ca -0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 1uaa h GLN 69 Cb 0.17 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1uaa h GLN 69 CO 0.00 0.00 -1.91 0.25 -2.65 0.00 0.00 178.83 174.52 1uaa n THR 70 N -2.90 0.91 -2.73 2.39 -2.24 -0.15 -4.96 114.28 104.59 1uaa n THR 70 Ca 0.03 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 1uaa n THR 70 Cb 0.44 -1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 1uaa n THR 70 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uaa s LEU 71 N -6.05 4.63 0.10 3.22 2.01 0.18 -5.00 118.68 117.77 1uaa s LEU 71 Ca -0.22 1.97 -0.30 0.00 0.01 0.00 0.00 54.13 55.58 1uaa s LEU 71 Cb 0.06 -3.63 -0.07 0.00 0.01 0.00 0.00 46.19 42.57 1uaa s LEU 71 CO 0.36 0.13 1.20 -0.83 1.01 0.00 0.00 176.35 178.22 1uaa s GLY 72 N -1.18 2.47 0.00 -3.19 0.00 -1.26 -4.49 107.32 99.67 1uaa s GLY 72 Ca 0.42 0.89 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1uaa s GLY 72 CO 0.32 1.99 0.00 0.54 0.00 0.00 0.00 173.10 175.95 1uaa n ARG 73 N 3.47 0.00 0.00 2.90 5.12 -1.26 -1.76 116.66 125.13 1uaa n ARG 73 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1uaa n ARG 73 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1uaa n ARG 73 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1uaa n LYS 74 N -3.70 0.00 -0.39 5.56 4.01 -1.26 -3.56 118.16 118.82 1uaa n LYS 74 Ca 0.00 0.00 0.31 0.00 -0.51 0.00 0.00 58.31 58.11 1uaa n LYS 74 Cb 0.00 -0.53 0.48 0.00 -0.51 0.00 0.00 35.03 34.46 1uaa n LYS 74 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1uaa n GLU 75 N -0.12 0.00 0.00 1.97 0.28 -0.72 0.36 120.64 122.42 1uaa n GLU 75 Ca 0.00 0.69 0.10 0.00 -0.16 0.00 0.00 57.16 57.80 1uaa n GLU 75 Cb 0.00 -1.63 0.52 0.00 1.43 0.00 0.00 31.44 31.76 1uaa n GLU 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uaa n ALA 76 N -2.44 2.08 -1.44 -1.84 0.00 -0.79 -4.36 120.51 111.72 1uaa n ALA 76 Ca 0.26 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1uaa n ALA 76 Cb 1.24 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 19.35 1uaa n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uaa n ARG 77 N -1.33 0.51 -3.74 0.00 1.74 1.14 -3.97 116.66 111.01 1uaa n ARG 77 Ca 0.09 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 57.11 1uaa n ARG 77 Cb 0.19 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1uaa n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uaa n GLY 78 N 1.84 -1.20 3.46 -0.13 0.00 -1.26 -3.47 105.19 104.44 1uaa n GLY 78 Ca 0.11 0.65 -0.37 0.00 0.00 0.00 0.00 46.02 46.41 1uaa n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uaa s LEU 79 N -4.72 3.75 0.00 0.99 2.01 -1.25 -2.89 118.68 116.57 1uaa s LEU 79 Ca 0.03 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.88 1uaa s LEU 79 Cb -0.00 -1.98 0.00 0.00 0.01 0.00 0.00 46.19 44.22 1uaa s LEU 79 CO 0.89 -0.09 0.33 0.23 1.01 0.00 0.00 176.35 178.72 1uaa n MET 80 N 4.96 0.23 -2.00 1.70 2.81 -0.72 -4.78 117.12 119.31 1uaa n MET 80 Ca -0.15 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.33 1uaa n MET 80 Cb 0.51 -1.39 -0.02 0.00 -0.71 0.00 0.00 33.22 31.61 1uaa n MET 80 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1uaa s ILE 81 N 1.13 2.52 0.00 2.02 1.01 -1.24 -3.00 121.20 123.64 1uaa s ILE 81 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1uaa s ILE 81 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1uaa s ILE 81 CO 0.00 0.11 0.00 -1.54 0.00 0.00 0.00 174.94 173.51 1uaa n SER 82 N 1.18 0.00 -4.47 3.58 3.41 -0.46 -4.92 113.62 111.94 1uaa n SER 82 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.36 1uaa n SER 82 Cb 0.41 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.49 1uaa n SER 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1uaa s THR 83 N -2.00 2.09 0.01 6.66 -4.23 -1.26 -1.93 115.64 114.99 1uaa s THR 83 Ca 0.00 -0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.03 1uaa s THR 83 Cb 0.00 -2.86 -0.16 0.00 1.34 0.00 0.00 72.50 70.82 1uaa s THR 83 CO 0.00 0.00 1.21 -0.26 -0.54 0.00 0.00 174.62 175.03 1uaa h PHE 84 N -1.10 -0.62 -0.93 3.99 0.04 -1.58 -3.04 116.94 113.71 1uaa h PHE 84 Ca -0.42 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 60.53 1uaa h PHE 84 Cb 1.26 0.20 -0.11 0.00 2.20 0.00 0.00 35.95 39.51 1uaa h PHE 84 CO -0.54 -0.29 0.49 0.45 -0.60 0.00 0.00 178.31 177.82 1uaa h HIS 85 N -0.97 0.84 0.36 -0.55 3.86 -1.90 0.25 115.15 117.05 1uaa h HIS 85 Ca -0.07 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1uaa h HIS 85 Cb 0.60 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1uaa h HIS 85 CO 0.01 0.10 -0.38 1.15 0.86 0.00 0.00 177.93 179.67 1uaa h THR 86 N 0.58 0.00 0.18 2.45 2.02 -1.91 -0.94 112.91 115.28 1uaa h THR 86 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1uaa h THR 86 Cb 0.94 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1uaa h THR 86 CO -0.44 0.00 -0.36 0.25 0.37 0.00 0.00 175.52 175.34 1uaa h LEU 87 N -0.74 -1.05 -0.84 2.58 5.85 -1.08 0.29 115.31 120.32 1uaa h LEU 87 Ca -0.04 0.10 0.29 0.00 0.84 0.00 0.00 57.88 59.07 1uaa h LEU 87 Cb 0.65 0.37 -0.15 0.00 0.37 0.00 0.00 40.66 41.90 1uaa h LEU 87 CO -0.06 -0.41 0.23 0.61 -0.34 0.00 0.00 178.44 178.47 1uaa n GLY 88 N -1.36 -0.89 0.19 3.75 0.00 0.77 0.20 105.19 107.86 1uaa n GLY 88 Ca -0.07 0.75 -0.10 0.00 0.00 0.00 0.00 46.02 46.60 1uaa n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uaa h LEU 89 N 0.00 -0.33 -1.66 0.99 6.46 -0.15 -2.97 115.31 117.64 1uaa h LEU 89 Ca 0.61 -0.18 0.18 0.00 -0.12 0.00 0.00 57.88 58.37 1uaa h LEU 89 Cb 1.47 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.46 1uaa h LEU 89 CO -0.72 0.14 0.71 -0.78 -0.62 0.00 0.00 178.44 177.17 1uaa h ASP 90 N -0.96 0.00 0.15 1.25 3.58 0.60 0.40 116.42 121.44 1uaa h ASP 90 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1uaa h ASP 90 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1uaa h ASP 90 CO 0.07 0.00 -0.07 0.40 -2.88 0.00 0.00 179.24 176.76 1uaa h ILE 91 N 0.00 0.00 -0.98 2.25 1.08 0.32 -1.29 117.51 118.89 1uaa h ILE 91 Ca 0.29 -0.17 0.22 0.00 -0.39 0.00 0.00 64.86 64.81 1uaa h ILE 91 Cb 1.70 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 35.27 1uaa h ILE 91 CO -0.00 0.00 -0.17 -0.38 -0.69 0.00 0.00 178.15 176.91 1uaa n ILE 92 N -2.99 -0.41 0.00 -0.67 5.41 0.10 -0.49 119.36 120.31 1uaa n ILE 92 Ca -0.02 2.21 0.00 0.00 1.00 0.00 0.00 62.75 65.94 1uaa n ILE 92 Cb 0.08 -3.11 0.00 0.00 -0.71 0.00 0.00 39.64 35.90 1uaa n ILE 92 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1uaa n LYS 93 N -5.55 0.00 -0.32 0.38 3.00 0.77 -2.04 118.16 114.39 1uaa n LYS 93 Ca 0.18 0.60 0.14 0.00 -0.00 0.00 0.00 58.31 59.23 1uaa n LYS 93 Cb 0.56 -1.48 0.37 0.00 0.00 0.00 0.00 35.03 34.49 1uaa n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uaa h ARG 94 N 0.00 0.65 0.00 1.64 3.08 0.45 -0.92 114.38 119.28 1uaa h ARG 94 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1uaa h ARG 94 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1uaa h ARG 94 CO 0.00 0.43 -0.28 0.93 -1.07 0.00 0.00 179.97 179.99 1uaa h GLU 95 N 0.67 0.00 -0.11 0.04 4.39 -1.17 -2.91 114.58 115.49 1uaa h GLU 95 Ca 0.54 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 60.03 1uaa h GLU 95 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1uaa h GLU 95 CO -0.31 0.00 -0.78 1.88 -1.16 0.00 0.00 179.01 178.65 1uaa h TYR 96 N 0.00 0.85 0.00 4.33 -1.99 -0.58 -2.58 116.97 117.01 1uaa h TYR 96 Ca 0.00 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.35 1uaa h TYR 96 Cb 0.83 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.43 1uaa h TYR 96 CO 0.00 1.19 0.00 0.00 -0.00 0.00 0.00 178.16 179.35 1uaa h ALA 97 N 0.71 1.00 0.54 3.88 0.00 -1.06 -2.84 119.26 121.48 1uaa h ALA 97 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1uaa h ALA 97 Cb 1.39 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1uaa h ALA 97 CO 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 179.14 1uaa h ALA 98 N 2.11 -0.73 0.00 0.00 0.00 -1.25 -2.58 119.26 116.80 1uaa h ALA 98 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1uaa h ALA 98 Cb 0.47 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1uaa h ALA 98 CO 0.00 -0.76 0.00 1.28 0.00 0.00 0.00 179.25 179.77 1uaa n LEU 99 N -5.30 0.00 0.00 0.00 4.77 -1.19 -4.62 117.00 110.67 1uaa n LEU 99 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1uaa n LEU 99 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1uaa n LEU 99 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1uaa n GLY 100 N -0.85 2.92 0.18 -0.72 0.00 -0.97 -5.03 105.19 100.72 1uaa n GLY 100 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1uaa n GLY 100 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1uaa n MET 101 N -0.01 -0.72 -3.88 1.61 -0.00 -1.08 -4.82 117.12 108.23 1uaa n MET 101 Ca 0.00 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.70 57.52 1uaa n MET 101 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 33.22 33.10 1uaa n MET 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1uaa s LYS 102 N -3.13 1.52 0.41 3.17 0.00 -1.24 -2.39 119.74 118.07 1uaa s LYS 102 Ca 0.04 -1.06 0.08 0.00 0.00 0.00 0.00 55.97 55.02 1uaa s LYS 102 Cb -0.00 0.51 -0.02 0.00 0.00 0.00 0.00 37.83 38.31 1uaa s LYS 102 CO 0.03 -0.65 0.35 0.00 0.00 0.00 0.00 175.35 175.08 1uaa s ALA 103 N -3.95 4.00 -0.30 0.59 0.00 -1.26 -4.95 121.76 115.89 1uaa s ALA 103 Ca 0.15 -1.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.13 1uaa s ALA 103 Cb -0.02 -0.98 0.21 0.00 0.00 0.00 0.00 23.12 22.33 1uaa s ALA 103 CO 0.04 -0.20 1.18 0.54 0.00 0.00 0.00 175.76 177.33 1uaa s ASN 104 N -4.10 -0.01 -0.40 0.00 4.22 -1.26 -5.11 114.94 108.29 1uaa s ASN 104 Ca 0.47 -0.01 0.07 0.00 -2.14 0.00 0.00 52.86 51.25 1uaa s ASN 104 Cb -0.03 0.01 0.18 0.00 1.28 0.00 0.00 41.25 42.69 1uaa s ASN 104 CO 0.27 -0.00 0.59 0.72 -2.04 0.00 0.00 177.10 176.64 1uaa s PHE 105 N 1.20 -1.52 -0.20 1.54 -0.12 -1.26 -4.97 117.98 112.65 1uaa s PHE 105 Ca 0.20 0.13 -0.42 0.00 -0.05 0.00 0.00 56.93 56.80 1uaa s PHE 105 Cb 0.14 0.21 -0.19 0.00 -0.63 0.00 0.00 43.02 42.54 1uaa s PHE 105 CO -0.13 -1.14 1.34 0.45 -0.05 0.00 0.00 175.22 175.68 1uaa n SER 106 N 4.44 0.76 -4.61 1.98 2.88 -1.26 -4.23 113.62 113.59 1uaa n SER 106 Ca 0.11 1.16 -0.46 0.00 -1.33 0.00 0.00 58.87 58.34 1uaa n SER 106 Cb 0.55 -0.95 -0.03 0.00 -0.75 0.00 0.00 64.21 63.04 1uaa n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uaa n LEU 107 N 2.79 2.02 -3.67 2.46 -0.00 -1.26 -3.94 117.00 115.39 1uaa n LEU 107 Ca 0.24 1.16 -0.42 0.00 -0.00 0.00 0.00 56.01 56.99 1uaa n LEU 107 Cb 0.04 -1.29 -0.00 0.00 -0.00 0.00 0.00 43.42 42.17 1uaa n LEU 107 CO 0.73 -1.13 2.76 0.33 -0.00 0.00 0.00 177.39 180.08 1uaa n PHE 108 N 1.17 3.34 -1.31 1.47 7.35 -0.07 -4.90 117.46 124.51 1uaa n PHE 108 Ca 0.12 -2.99 -0.58 0.00 -0.76 0.00 0.00 57.45 53.25 1uaa n PHE 108 Cb 0.29 -2.52 -0.11 0.00 0.35 0.00 0.00 39.48 37.49 1uaa n PHE 108 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1uaa n ASP 109 N 5.60 1.14 0.00 -2.13 2.03 -1.26 -3.98 116.55 117.94 1uaa n ASP 109 Ca 0.55 0.62 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1uaa n ASP 109 Cb 0.36 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1uaa n ASP 109 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1uaa n ASP 110 N 8.08 0.00 0.03 1.67 -0.08 -1.26 -0.78 116.55 124.21 1uaa n ASP 110 Ca 0.51 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.69 1uaa n ASP 110 Cb 0.03 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.43 1uaa n ASP 110 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uaa h THR 111 N 0.00 0.00 -0.85 5.18 1.03 -2.00 -1.91 112.91 114.36 1uaa h THR 111 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 66.41 66.64 1uaa h THR 111 Cb 0.00 0.00 -0.16 0.00 -1.07 0.00 0.00 68.15 66.92 1uaa h THR 111 CO 0.00 0.00 0.05 0.47 -0.01 0.00 0.00 175.52 176.03 1uaa n ASP 112 N -4.29 -0.07 0.00 0.00 8.00 0.04 0.70 116.55 120.92 1uaa n ASP 112 Ca -0.04 1.45 0.00 0.00 0.71 0.00 0.00 54.79 56.91 1uaa n ASP 112 Cb 0.24 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1uaa n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uaa n GLN 113 N -5.21 0.00 -0.33 -1.24 6.02 -0.88 0.18 117.38 115.92 1uaa n GLN 113 Ca 0.21 0.37 0.08 0.00 -0.01 0.00 0.00 57.00 57.66 1uaa n GLN 113 Cb 0.69 -1.36 0.18 0.00 1.02 0.00 0.00 30.24 30.77 1uaa n GLN 113 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1uaa n LEU 114 N -1.61 -0.26 0.01 1.08 0.00 -0.31 0.84 117.00 116.75 1uaa n LEU 114 Ca 0.00 1.60 -0.01 0.00 0.00 0.00 0.00 56.01 57.59 1uaa n LEU 114 Cb 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 43.42 42.90 1uaa n LEU 114 CO 0.00 -1.56 0.50 0.00 0.00 0.00 0.00 177.39 176.33 1uaa h ALA 115 N 1.86 -0.61 -1.22 1.96 0.00 0.43 0.20 119.26 121.88 1uaa h ALA 115 Ca 0.49 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.75 1uaa h ALA 115 Cb 0.85 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1uaa h ALA 115 CO -0.93 -0.62 0.80 1.25 0.00 0.00 0.00 179.25 179.75 1uaa h LEU 116 N -0.06 0.30 -1.00 0.00 5.85 0.32 0.91 115.31 121.63 1uaa h LEU 116 Ca -0.00 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1uaa h LEU 116 Cb 0.06 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1uaa h LEU 116 CO -0.02 -0.06 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.79 1uaa h LEU 117 N 0.20 0.52 0.24 2.25 3.38 0.22 -1.02 115.31 121.10 1uaa h LEU 117 Ca 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.52 1uaa h LEU 117 Cb 2.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1uaa h LEU 117 CO -0.33 0.71 -0.12 0.50 0.09 0.00 0.00 178.44 179.29 1uaa h LYS 118 N 0.48 -0.31 -0.97 1.13 3.11 0.38 -0.06 116.57 120.33 1uaa h LYS 118 Ca 0.08 0.02 0.23 0.00 -2.81 0.00 0.00 60.65 58.18 1uaa h LYS 118 Cb 0.56 0.07 -0.12 0.00 -1.00 0.00 0.00 32.23 31.74 1uaa h LYS 118 CO 0.04 -0.21 0.54 1.05 -2.81 0.00 0.00 179.45 178.06 1uaa h GLU 119 N -0.36 0.53 -0.72 1.90 -0.00 -1.53 0.36 114.58 114.76 1uaa h GLU 119 Ca -0.03 -0.03 0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1uaa h GLU 119 Cb 0.25 -0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 28.84 1uaa h GLU 119 CO 0.05 0.35 0.45 -0.07 -0.00 0.00 0.00 179.01 179.79 1uaa h LEU 120 N 0.55 0.74 -5.93 3.06 3.38 -1.13 -3.31 115.31 112.66 1uaa h LEU 120 Ca 0.62 -0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.99 1uaa h LEU 120 Cb 1.16 -0.16 -0.42 0.00 0.09 0.00 0.00 40.66 41.33 1uaa h LEU 120 CO -0.48 0.51 -0.61 0.35 0.09 0.00 0.00 178.44 178.30 1uaa n THR 121 N -4.66 2.57 0.00 0.22 -2.24 0.13 -4.92 114.28 105.38 1uaa n THR 121 Ca 0.08 -5.33 0.00 0.00 -2.27 0.00 0.00 64.05 56.53 1uaa n THR 121 Cb 0.09 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 1uaa n THR 121 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1uaa n GLU 122 N 0.53 0.00 -0.17 -0.78 2.13 -1.08 -2.91 120.64 118.36 1uaa n GLU 122 Ca 0.30 0.32 -0.10 0.00 0.66 0.00 0.00 57.16 58.34 1uaa n GLU 122 Cb 0.40 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.30 1uaa n GLU 122 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1uaa h GLY 123 N 0.00 0.99 -0.12 8.31 0.00 -1.92 -3.25 103.07 107.08 1uaa h GLY 123 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1uaa h GLY 123 CO 0.00 0.71 -0.52 1.41 0.00 0.00 0.00 176.54 178.14 1uaa h LEU 124 N 0.77 -1.64 -8.28 3.11 4.07 -1.92 -3.42 115.31 108.00 1uaa h LEU 124 Ca 0.13 0.20 -0.57 0.00 0.08 0.00 0.00 57.88 57.73 1uaa h LEU 124 Cb 0.60 0.65 -0.31 0.00 1.08 0.00 0.00 40.66 42.68 1uaa h LEU 124 CO 0.04 -0.47 -0.84 -0.51 -1.08 0.00 0.00 178.44 175.58 1uaa s ILE 125 N -5.75 1.46 0.34 1.22 1.10 -1.15 -5.11 121.20 113.30 1uaa s ILE 125 Ca -0.15 -0.75 -0.24 0.00 -0.51 0.00 0.00 60.65 59.00 1uaa s ILE 125 Cb 0.08 -1.23 -0.16 0.00 0.15 0.00 0.00 42.46 41.29 1uaa s ILE 125 CO 0.62 0.42 0.24 -1.84 -2.11 0.00 0.00 174.94 172.27 1uaa n GLU 126 N 2.94 0.01 -0.34 3.50 0.00 -1.26 -4.41 120.64 121.09 1uaa n GLU 126 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 56.98 1uaa n GLU 126 Cb 0.53 -1.01 -0.03 0.00 0.00 0.00 0.00 31.44 30.94 1uaa n GLU 126 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1uaa n ASP 127 N 2.21 2.75 -4.31 -1.84 -0.08 -1.26 -4.78 116.55 109.24 1uaa n ASP 127 Ca 0.13 -1.81 -0.32 0.00 -1.51 0.00 0.00 54.79 51.28 1uaa n ASP 127 Cb 0.35 -0.63 -0.16 0.00 2.34 0.00 0.00 41.12 43.02 1uaa n ASP 127 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1uaa s ASP 128 N 2.14 3.48 0.02 1.67 2.15 -1.26 -4.79 116.67 120.07 1uaa s ASP 128 Ca 0.10 -0.43 -0.05 0.00 0.43 0.00 0.00 52.55 52.60 1uaa s ASP 128 Cb 0.05 -1.23 -0.02 0.00 -0.30 0.00 0.00 42.92 41.42 1uaa s ASP 128 CO 0.00 0.21 1.08 0.11 -0.17 0.00 0.00 175.17 176.40 1uaa h LYS 129 N 6.34 -0.10 -0.96 4.34 1.57 -1.99 0.16 116.57 125.93 1uaa h LYS 129 Ca -0.28 0.01 0.30 0.00 -1.87 0.00 0.00 60.65 58.80 1uaa h LYS 129 Cb 1.20 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.38 1uaa h LYS 129 CO 0.50 -0.06 0.44 0.28 -0.57 0.00 0.00 179.45 180.04 1uaa h VAL 130 N -0.10 0.28 0.00 0.50 2.07 -1.99 0.21 116.25 117.22 1uaa h VAL 130 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1uaa h VAL 130 Cb 0.11 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1uaa h VAL 130 CO -0.05 0.05 0.00 -0.11 0.02 0.00 0.00 177.57 177.47 1uaa n LEU 131 N -5.13 0.03 -0.31 2.57 7.94 -0.64 -2.49 117.00 118.97 1uaa n LEU 131 Ca 0.29 0.87 0.22 0.00 -1.11 0.00 0.00 56.01 56.27 1uaa n LEU 131 Cb 0.90 -0.39 0.41 0.00 0.53 0.00 0.00 43.42 44.88 1uaa n LEU 131 CO 0.07 -0.39 0.87 0.18 -1.11 0.00 0.00 177.39 177.01 1uaa n LEU 132 N -1.66 0.11 -0.15 -1.96 4.77 0.45 0.11 117.00 118.67 1uaa n LEU 132 Ca 0.00 1.56 -0.09 0.00 -0.03 0.00 0.00 56.01 57.45 1uaa n LEU 132 Cb 0.00 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 1uaa n LEU 132 CO 0.00 -1.67 0.58 -0.61 -1.33 0.00 0.00 177.39 174.36 1uaa h GLN 133 N 0.00 -0.28 0.42 3.23 -0.00 -0.42 1.02 115.11 119.08 1uaa h GLN 133 Ca 0.68 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.34 1uaa h GLN 133 Cb 1.63 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 29.15 1uaa h GLN 133 CO -0.79 -0.19 -0.47 1.96 0.00 0.00 0.00 178.83 179.34 1uaa h GLN 134 N -0.29 -0.88 -0.97 1.69 4.20 0.11 0.51 115.11 119.48 1uaa h GLN 134 Ca 0.15 0.06 0.23 0.00 0.06 0.00 0.00 58.65 59.15 1uaa h GLN 134 Cb 0.58 0.20 -0.18 0.00 0.30 0.00 0.00 27.48 28.37 1uaa h GLN 134 CO -0.61 -0.59 -0.12 1.25 -0.67 0.00 0.00 178.83 178.10 1uaa h LEU 135 N -0.91 -0.71 0.56 1.46 5.85 -0.27 1.21 115.31 122.50 1uaa h LEU 135 Ca -0.04 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1uaa h LEU 135 Cb 0.81 0.55 0.01 0.00 0.37 0.00 0.00 40.66 42.39 1uaa h LEU 135 CO -0.09 -0.33 -0.27 0.40 -0.34 0.00 0.00 178.44 177.81 1uaa h ILE 136 N 0.01 0.34 0.46 4.05 2.04 0.25 -1.41 117.51 123.24 1uaa h ILE 136 Ca 0.52 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 1uaa h ILE 136 Cb 0.94 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1uaa h ILE 136 CO -0.96 0.04 -0.36 0.28 0.00 0.00 0.00 178.15 177.15 1uaa h SER 137 N -0.99 -0.97 -0.68 1.72 0.02 0.25 0.15 113.55 113.06 1uaa h SER 137 Ca -0.08 0.07 0.20 0.00 -0.84 0.00 0.00 61.79 61.14 1uaa h SER 137 Cb 0.64 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1uaa h SER 137 CO 0.13 -0.51 0.52 0.00 -1.14 0.00 0.00 176.83 175.82 1uaa h THR 138 N -0.80 0.59 0.14 -2.27 1.03 0.13 0.37 112.91 112.09 1uaa h THR 138 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 1uaa h THR 138 Cb 0.67 0.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1uaa h THR 138 CO 0.01 0.00 -0.07 0.40 -0.01 0.00 0.00 175.52 175.85 1uaa h ILE 139 N 0.00 0.86 0.00 0.00 2.04 -0.83 -3.19 117.51 116.39 1uaa h ILE 139 Ca 0.32 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1uaa h ILE 139 Cb 1.36 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1uaa h ILE 139 CO -0.00 0.24 0.10 -0.24 0.00 0.00 0.00 178.15 178.24 1uaa n SER 140 N -4.89 0.00 -0.08 1.72 2.88 0.12 -2.07 113.62 111.30 1uaa n SER 140 Ca -0.07 0.35 -0.13 0.00 -1.33 0.00 0.00 58.87 57.68 1uaa n SER 140 Cb 0.26 -0.35 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 1uaa n SER 140 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1uaa h ASN 141 N 0.00 0.00 -0.08 -3.46 2.35 -1.26 -2.89 115.58 110.23 1uaa h ASN 141 Ca 0.00 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1uaa h ASN 141 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1uaa h ASN 141 CO 0.00 1.09 0.05 -0.50 -1.65 0.00 0.00 177.43 176.43 1uaa h TRP 142 N -1.00 0.11 -0.10 1.19 6.55 -1.42 0.15 115.95 121.43 1uaa h TRP 142 Ca -0.15 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.67 1uaa h TRP 142 Cb 0.89 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 29.15 1uaa h TRP 142 CO 0.05 0.07 -0.01 0.87 -1.05 0.00 0.00 178.44 178.38 1uaa h LYS 143 N 0.12 0.19 0.00 0.49 1.57 -1.63 -0.91 116.57 116.40 1uaa h LYS 143 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1uaa h LYS 143 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1uaa h LYS 143 CO -0.01 0.46 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 1uaa n ASN 144 N -4.79 0.00 -1.78 0.86 3.02 0.00 -1.19 115.26 111.37 1uaa n ASN 144 Ca -0.06 -0.70 -0.19 0.00 -0.03 0.00 0.00 54.58 53.60 1uaa n ASN 144 Cb 0.22 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.52 1uaa n ASN 144 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1uaa n ASP 145 N -0.97 4.32 -2.91 6.41 -0.08 0.31 -4.11 116.55 119.52 1uaa n ASP 145 Ca 0.15 -3.76 -0.03 0.00 -1.51 0.00 0.00 54.79 49.64 1uaa n ASP 145 Cb 0.07 -0.70 -0.01 0.00 2.34 0.00 0.00 41.12 42.82 1uaa n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uaa n LEU 146 N -1.01 -0.07 -4.88 -2.67 -0.00 -0.33 -4.86 117.00 103.19 1uaa n LEU 146 Ca 0.47 -0.11 -0.24 0.00 -0.00 0.00 0.00 56.01 56.13 1uaa n LEU 146 Cb 1.06 -0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 44.32 1uaa n LEU 146 CO 0.44 0.05 0.02 -0.54 -0.00 0.00 0.00 177.39 177.36 1uaa s LYS 147 N -3.81 2.35 0.16 1.47 -0.14 -0.76 -5.05 119.74 113.96 1uaa s LYS 147 Ca 0.01 -1.82 0.10 0.00 -1.36 0.00 0.00 55.97 52.90 1uaa s LYS 147 Cb -0.01 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 1uaa s LYS 147 CO 0.09 -0.41 -0.20 -0.08 -0.76 0.00 0.00 175.35 173.98 1uaa s THR 148 N -2.64 2.62 -1.80 2.17 -1.32 -1.26 -4.77 115.64 108.64 1uaa s THR 148 Ca 0.41 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1uaa s THR 148 Cb -0.02 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1uaa s THR 148 CO 0.24 -0.01 0.20 -2.65 -2.21 0.00 0.00 174.62 170.19 1uaa n PRO 149 N 0.51 0.00 -0.00 7.08 -0.02 -1.26 -1.00 135.00 140.30 1uaa n PRO 149 Ca -0.14 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1uaa n PRO 149 Cb 0.54 -1.22 -0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1uaa n PRO 149 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1uaa n SER 150 N -0.67 1.48 0.29 2.55 7.64 -1.26 -4.34 113.62 119.31 1uaa n SER 150 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 1uaa n SER 150 Cb 0.00 -0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.12 1uaa n SER 150 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1uaa h GLN 151 N -0.00 0.00 0.00 1.43 7.50 -1.47 0.29 115.11 122.85 1uaa h GLN 151 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1uaa h GLN 151 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.53 1uaa h GLN 151 CO -0.00 0.00 -0.36 0.00 -1.50 0.00 0.00 178.83 176.97 1uaa h ALA 152 N 1.96 0.82 0.00 3.87 0.00 -1.38 -2.70 119.26 121.83 1uaa h ALA 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uaa h ALA 152 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1uaa h ALA 152 CO -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 1uaa h ALA 153 N 2.05 0.92 0.01 0.00 0.00 -0.66 -3.15 119.26 118.41 1uaa h ALA 153 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uaa h ALA 153 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1uaa h ALA 153 CO 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.25 1uaa h ALA 154 N 2.30 -0.29 0.00 0.00 0.00 -1.32 -3.27 119.26 116.67 1uaa h ALA 154 Ca 0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1uaa h ALA 154 Cb 0.85 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1uaa h ALA 154 CO 0.00 -0.29 2.62 -1.13 0.00 0.00 0.00 179.25 180.45 1uaa n SER 155 N -2.07 6.21 -3.49 0.00 3.41 -1.03 -4.64 113.62 112.01 1uaa n SER 155 Ca -0.00 -2.40 -0.29 0.00 -0.26 0.00 0.00 58.87 55.92 1uaa n SER 155 Cb 0.00 -1.26 -0.12 0.00 -0.26 0.00 0.00 64.21 62.57 1uaa n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uaa s ALA 156 N 2.64 1.02 -0.31 7.33 0.00 -1.19 -4.86 121.76 126.39 1uaa s ALA 156 Ca 0.53 -1.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.50 1uaa s ALA 156 Cb 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1uaa s ALA 156 CO -0.04 -2.09 0.12 0.96 0.00 0.00 0.00 175.76 174.71 1uaa s ILE 157 N 1.04 4.28 0.00 0.00 -0.00 -1.26 -4.58 121.20 120.67 1uaa s ILE 157 Ca 0.18 -0.60 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 1uaa s ILE 157 Cb -0.23 -3.21 0.00 0.00 -0.00 0.00 0.00 42.46 39.02 1uaa s ILE 157 CO -0.00 0.05 0.00 0.61 -0.00 0.00 0.00 174.94 175.59 1uaa n GLY 158 N 4.92 4.23 0.00 6.27 0.00 -1.26 -4.86 105.19 114.50 1uaa n GLY 158 Ca -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1uaa n GLY 158 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uaa n GLU 159 N -1.31 0.00 0.16 1.61 0.28 -1.26 0.31 120.64 120.43 1uaa n GLU 159 Ca 0.00 0.17 0.06 0.00 -0.16 0.00 0.00 57.16 57.23 1uaa n GLU 159 Cb 0.00 -0.83 0.34 0.00 1.43 0.00 0.00 31.44 32.38 1uaa n GLU 159 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1uaa n ARG 160 N -0.50 0.09 0.05 3.44 -4.01 -1.26 0.50 116.66 114.96 1uaa n ARG 160 Ca 0.00 0.56 -0.20 0.00 -1.04 0.00 0.00 57.85 57.17 1uaa n ARG 160 Cb 0.00 -2.09 -0.14 0.00 -3.04 0.00 0.00 32.46 27.19 1uaa n ARG 160 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 1uaa h ASP 161 N 0.00 0.51 -0.43 2.89 5.19 -1.66 0.88 116.42 123.81 1uaa h ASP 161 Ca 0.00 -0.91 0.05 0.00 -0.62 0.00 0.00 57.03 55.55 1uaa h ASP 161 Cb 0.62 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1uaa h ASP 161 CO 0.00 1.38 0.29 0.03 -3.12 0.00 0.00 179.24 177.82 1uaa h ARG 162 N -0.28 0.37 0.51 3.56 3.08 0.47 0.11 114.38 122.21 1uaa h ARG 162 Ca -0.13 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1uaa h ARG 162 Cb 1.61 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.58 1uaa h ARG 162 CO 0.15 0.25 -0.25 0.82 -1.07 0.00 0.00 179.97 179.87 1uaa h ILE 163 N 0.38 0.00 -1.28 2.04 2.04 -1.11 -2.66 117.51 116.92 1uaa h ILE 163 Ca 0.18 -0.42 0.39 0.00 1.00 0.00 0.00 64.86 66.01 1uaa h ILE 163 Cb 0.25 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.22 1uaa h ILE 163 CO -0.04 0.00 0.85 -0.26 0.00 0.00 0.00 178.15 178.70 1uaa h PHE 164 N -1.10 0.45 0.45 1.37 0.04 0.14 0.57 116.94 118.86 1uaa h PHE 164 Ca -0.07 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1uaa h PHE 164 Cb 0.53 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1uaa h PHE 164 CO 0.01 -0.09 -0.22 0.00 -0.60 0.00 0.00 178.31 177.41 1uaa h ALA 165 N 1.53 -0.61 0.23 2.45 0.00 -0.93 0.59 119.26 122.52 1uaa h ALA 165 Ca 0.73 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1uaa h ALA 165 Cb 2.34 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 20.36 1uaa h ALA 165 CO -0.30 -0.73 -0.16 1.12 0.00 0.00 0.00 179.25 179.18 1uaa h HIS 166 N -0.83 -0.43 -0.45 0.00 2.07 0.18 0.65 115.15 116.35 1uaa h HIS 166 Ca -0.06 -0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.55 1uaa h HIS 166 Cb 0.56 0.16 -0.10 0.00 2.57 0.00 0.00 27.41 30.60 1uaa h HIS 166 CO -0.00 -0.25 -0.23 0.00 -3.07 0.00 0.00 177.93 174.38 1uaa h TYR 168 N -0.13 -0.35 -0.59 0.00 3.20 0.89 0.10 116.97 120.09 1uaa h TYR 168 Ca 0.21 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.25 1uaa h TYR 168 Cb 0.47 0.25 -0.11 0.00 1.54 0.00 0.00 36.73 38.87 1uaa h TYR 168 CO -0.48 -0.26 -0.16 0.78 -1.64 0.00 0.00 178.16 176.39 1uaa h GLY 169 N -0.02 0.39 2.00 1.82 0.00 0.65 0.14 103.07 108.06 1uaa h GLY 169 Ca 0.28 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1uaa h GLY 169 CO -0.60 -0.23 -0.24 -2.00 0.00 0.00 0.00 176.54 173.47 1uaa h LEU 170 N -0.01 0.00 0.28 3.11 5.85 0.26 -1.43 115.31 123.38 1uaa h LEU 170 Ca 0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1uaa h LEU 170 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1uaa h LEU 170 CO -0.61 0.24 -0.14 0.22 -0.34 0.00 0.00 178.44 177.81 1uaa h TYR 171 N 0.00 -0.35 -0.46 1.25 5.03 0.75 0.22 116.97 123.41 1uaa h TYR 171 Ca -0.00 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.40 1uaa h TYR 171 Cb 0.65 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 1uaa h TYR 171 CO 0.00 -0.22 0.32 0.38 -1.32 0.00 0.00 178.16 177.32 1uaa h ASP 172 N -0.42 0.17 0.06 -2.11 2.03 -1.55 -1.47 116.42 113.14 1uaa h ASP 172 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1uaa h ASP 172 Cb 0.29 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.74 1uaa h ASP 172 CO 0.06 0.11 -0.20 0.00 -1.03 0.00 0.00 179.24 178.18 1uaa h ALA 173 N 1.77 -0.74 -0.88 4.15 0.00 -0.81 0.29 119.26 123.03 1uaa h ALA 173 Ca 0.21 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1uaa h ALA 173 Cb 0.59 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1uaa h ALA 173 CO -0.04 -0.79 0.58 0.45 0.00 0.00 0.00 179.25 179.45 1uaa h HIS 174 N -0.30 1.03 0.05 0.00 3.86 -0.06 -2.83 115.15 116.91 1uaa h HIS 174 Ca -0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1uaa h HIS 174 Cb 0.29 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1uaa h HIS 174 CO -0.33 0.57 -0.02 -0.07 0.86 0.00 0.00 177.93 178.93 1uaa h LEU 175 N 1.04 -0.06 -0.77 2.43 4.07 -0.86 0.23 115.31 121.39 1uaa h LEU 175 Ca 0.37 -0.42 0.13 0.00 0.08 0.00 0.00 57.88 58.03 1uaa h LEU 175 Cb 0.12 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 41.79 1uaa h LEU 175 CO -0.12 0.40 0.35 0.07 -1.08 0.00 0.00 178.44 178.06 1uaa h LYS 176 N -0.53 0.53 0.00 1.13 2.10 -0.45 -1.08 116.57 118.26 1uaa h LYS 176 Ca -0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1uaa h LYS 176 Cb 0.48 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1uaa h LYS 176 CO 0.01 0.35 0.00 0.00 -2.00 0.00 0.00 179.45 177.81 1uaa n ALA 177 N -2.45 0.00 0.03 0.07 0.00 -1.07 -3.35 120.51 113.75 1uaa n ALA 177 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1uaa n ALA 177 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 1uaa n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uaa n ASN 179 N -1.23 -5.05 -3.87 0.00 5.15 -0.46 -5.06 115.26 104.74 1uaa n ASN 179 Ca -0.00 -0.18 -0.10 0.00 -0.60 0.00 0.00 54.58 53.71 1uaa n ASN 179 Cb 0.47 -3.35 -0.06 0.00 -0.53 0.00 0.00 39.78 36.31 1uaa n ASN 179 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1uaa s VAL 180 N -3.08 0.05 -0.08 3.44 -7.23 -0.90 -4.44 120.40 108.16 1uaa s VAL 180 Ca 0.10 -1.15 -0.05 0.00 -1.81 0.00 0.00 61.98 59.07 1uaa s VAL 180 Cb -0.01 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.22 1uaa s VAL 180 CO 0.42 -0.23 0.19 -1.48 -0.31 0.00 0.00 175.10 173.69 1uaa s LEU 181 N -2.93 0.92 1.14 1.32 0.05 -1.25 -4.45 118.68 113.48 1uaa s LEU 181 Ca 0.14 0.40 -0.17 0.00 0.05 0.00 0.00 54.13 54.54 1uaa s LEU 181 Cb 0.02 0.60 0.26 0.00 -2.05 0.00 0.00 46.19 45.01 1uaa s LEU 181 CO -0.01 -0.11 1.11 1.51 -0.55 0.00 0.00 176.35 178.30 1uaa s ASP 182 N 0.66 1.44 0.01 1.48 1.47 -1.26 -0.89 116.67 119.58 1uaa s ASP 182 Ca -0.05 0.78 -0.07 0.00 1.18 0.00 0.00 52.55 54.39 1uaa s ASP 182 Cb -0.06 -1.14 -0.03 0.00 -0.34 0.00 0.00 42.92 41.35 1uaa s ASP 182 CO -0.04 -3.82 1.10 -0.26 0.68 0.00 0.00 175.17 172.84 1uaa h PHE 183 N -2.37 -0.26 -0.90 2.11 0.04 -1.97 -2.54 116.94 111.05 1uaa h PHE 183 Ca -0.48 0.00 0.26 0.00 2.80 0.00 0.00 57.97 60.55 1uaa h PHE 183 Cb 1.30 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.52 1uaa h PHE 183 CO -1.40 -0.13 0.98 0.38 -0.60 0.00 0.00 178.31 177.55 1uaa h ASP 184 N -0.20 0.00 -0.90 2.17 3.04 -1.95 0.99 116.42 119.57 1uaa h ASP 184 Ca -0.01 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.80 1uaa h ASP 184 Cb 0.17 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.41 1uaa h ASP 184 CO -0.00 0.00 0.59 0.44 -2.04 0.00 0.00 179.24 178.22 1uaa h ASP 185 N 0.00 0.99 -0.02 4.15 5.19 -1.80 -0.62 116.42 124.31 1uaa h ASP 185 Ca 0.43 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.83 1uaa h ASP 185 Cb 2.38 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 41.66 1uaa h ASP 185 CO -0.00 0.69 0.20 -0.07 -3.12 0.00 0.00 179.24 176.93 1uaa h LEU 186 N 1.15 0.00 0.00 1.55 4.07 0.98 -0.75 115.31 122.32 1uaa h LEU 186 Ca 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.29 1uaa h LEU 186 Cb -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1uaa h LEU 186 CO -0.11 0.00 -0.77 -0.38 -1.08 0.00 0.00 178.44 176.10 1uaa n ILE 187 N -3.04 1.46 0.43 1.22 2.08 -0.31 -3.65 119.36 117.55 1uaa n ILE 187 Ca -0.02 0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.46 1uaa n ILE 187 Cb 0.26 -2.35 0.00 0.00 -0.75 0.00 0.00 39.64 36.79 1uaa n ILE 187 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uaa n LEU 188 N -4.54 0.03 0.00 1.39 -0.00 -0.79 -1.87 117.00 111.22 1uaa n LEU 188 Ca -0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1uaa n LEU 188 Cb 0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1uaa n LEU 188 CO 0.15 0.01 0.00 -0.11 -0.00 0.00 0.00 177.39 177.43 1uaa n LEU 189 N -0.40 0.80 -0.21 1.47 -0.00 -0.32 -3.83 117.00 114.52 1uaa n LEU 189 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 56.01 56.24 1uaa n LEU 189 Cb 0.01 0.00 0.61 0.00 -0.00 0.00 0.00 43.42 44.04 1uaa n LEU 189 CO 0.00 0.00 1.24 -0.65 -0.00 0.00 0.00 177.39 177.98 1uaa h PRO 190 N 0.00 0.20 -0.20 1.96 0.11 -1.71 0.19 132.00 132.56 1uaa h PRO 190 Ca 0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1uaa h PRO 190 Cb 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1uaa h PRO 190 CO 0.00 0.13 -0.22 1.15 -0.21 0.00 0.00 178.00 178.85 1uaa h THR 191 N 0.21 0.00 0.25 -1.15 2.02 -1.59 1.50 112.91 114.15 1uaa h THR 191 Ca 0.45 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.62 1uaa h THR 191 Cb 1.41 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1uaa h THR 191 CO -0.10 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.50 1uaa h LEU 192 N -0.13 -0.58 -1.59 2.58 4.07 -0.76 -0.40 115.31 118.49 1uaa h LEU 192 Ca 0.03 0.04 0.41 0.00 0.08 0.00 0.00 57.88 58.45 1uaa h LEU 192 Cb 0.22 0.19 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1uaa h LEU 192 CO -0.26 -0.30 1.24 0.25 -1.08 0.00 0.00 178.44 178.29 1uaa h LEU 193 N -0.46 0.00 0.00 1.67 5.85 -0.81 0.89 115.31 122.45 1uaa h LEU 193 Ca -0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 1uaa h LEU 193 Cb 0.39 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1uaa h LEU 193 CO -0.01 0.00 -1.48 0.18 -0.34 0.00 0.00 178.44 176.80 1uaa n LEU 194 N -3.65 0.79 0.12 2.25 4.32 0.51 -3.45 117.00 117.89 1uaa n LEU 194 Ca 0.32 0.35 -0.06 0.00 -0.02 0.00 0.00 56.01 56.60 1uaa n LEU 194 Cb 1.67 0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 43.53 1uaa n LEU 194 CO 0.34 0.15 0.18 -0.61 -1.22 0.00 0.00 177.39 176.23 1uaa h GLN 195 N 0.00 -0.36 -0.72 3.23 4.15 0.18 -3.31 115.11 118.28 1uaa h GLN 195 Ca -0.18 0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.48 1uaa h GLN 195 Cb 1.59 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.34 1uaa h GLN 195 CO 0.04 -0.24 0.67 0.00 -1.93 0.00 0.00 178.83 177.37 1uaa h ALA 196 N -1.28 2.54 -3.28 3.38 0.00 -1.46 -3.39 119.26 115.78 1uaa h ALA 196 Ca -0.04 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 1uaa h ALA 196 Cb 0.29 0.05 -0.34 0.00 0.00 0.00 0.00 17.79 17.79 1uaa h ALA 196 CO 0.06 -1.04 -0.84 1.21 0.00 0.00 0.00 179.25 178.65 1uaa s ASN 197 N -5.04 2.46 0.02 0.00 3.84 -1.22 -5.02 114.94 109.96 1uaa s ASN 197 Ca -0.04 -0.43 -0.17 0.00 0.21 0.00 0.00 52.86 52.42 1uaa s ASN 197 Cb 0.18 -1.11 -0.35 0.00 -0.55 0.00 0.00 41.25 39.42 1uaa s ASN 197 CO 0.62 0.03 0.99 -0.08 -2.79 0.00 0.00 177.10 175.86 1uaa h GLU 198 N 7.32 0.51 -0.99 0.43 4.81 -1.81 -3.01 114.58 121.84 1uaa h GLU 198 Ca -0.30 -0.85 0.19 0.00 -0.13 0.00 0.00 59.36 58.26 1uaa h GLU 198 Cb 1.18 0.31 -0.18 0.00 0.63 0.00 0.00 28.75 30.70 1uaa h GLU 198 CO 0.49 1.41 -0.28 -1.91 -0.73 0.00 0.00 179.01 177.99 1uaa n GLU 199 N -3.80 -0.12 -0.00 1.92 2.13 -1.26 -1.40 120.64 118.10 1uaa n GLU 199 Ca -0.16 1.53 -0.11 0.00 0.66 0.00 0.00 57.16 59.08 1uaa n GLU 199 Cb 1.05 -2.29 -0.09 0.00 0.27 0.00 0.00 31.44 30.38 1uaa n GLU 199 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1uaa h VAL 200 N 0.00 1.17 -0.74 6.31 2.07 -1.93 -3.28 116.25 119.85 1uaa h VAL 200 Ca 0.44 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1uaa h VAL 200 Cb 0.69 2.03 -0.09 0.00 -1.52 0.00 0.00 31.29 32.40 1uaa h VAL 200 CO -1.01 0.33 -0.43 -1.14 0.02 0.00 0.00 177.57 175.34 1uaa n ARG 201 N -4.81 -0.32 -0.22 1.57 0.63 -0.50 -0.63 116.66 112.37 1uaa n ARG 201 Ca -0.08 1.26 -0.05 0.00 -0.92 0.00 0.00 57.85 58.06 1uaa n ARG 201 Cb 0.30 -1.86 0.06 0.00 0.45 0.00 0.00 32.46 31.42 1uaa n ARG 201 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1uaa h LYS 202 N 0.00 0.78 -1.00 -0.14 3.11 -1.52 0.13 116.57 117.94 1uaa h LYS 202 Ca 0.12 -0.05 0.22 0.00 -2.81 0.00 0.00 60.65 58.13 1uaa h LYS 202 Cb 0.30 -0.17 -0.10 0.00 -1.00 0.00 0.00 32.23 31.26 1uaa h LYS 202 CO -0.69 0.51 0.62 -0.09 -2.81 0.00 0.00 179.45 176.99 1uaa h ARG 203 N 0.80 0.58 -0.00 1.90 2.43 -0.93 0.30 114.38 119.46 1uaa h ARG 203 Ca 0.25 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1uaa h ARG 203 Cb -0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1uaa h ARG 203 CO -0.09 0.38 -0.03 -1.49 -1.51 0.00 0.00 179.97 177.23 1uaa h TRP 204 N 0.59 0.04 -0.16 2.20 -0.00 -0.50 -1.31 115.95 116.81 1uaa h TRP 204 Ca 0.57 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 59.49 1uaa h TRP 204 Cb 1.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 30.28 1uaa h TRP 204 CO -0.00 0.76 0.57 0.37 -0.00 0.00 0.00 178.44 180.13 1uaa h GLN 205 N -0.69 0.00 -0.00 0.49 5.75 0.14 1.97 115.11 122.77 1uaa h GLN 205 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1uaa h GLN 205 Cb 0.77 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1uaa h GLN 205 CO 0.01 0.00 -0.62 -1.71 -2.65 0.00 0.00 178.83 173.86 1uaa n ASN 206 N -2.99 0.79 -0.06 -0.69 5.15 0.84 -4.39 115.26 113.91 1uaa n ASN 206 Ca 0.02 -0.90 -0.07 0.00 -0.60 0.00 0.00 54.58 53.04 1uaa n ASN 206 Cb 0.65 0.92 -0.05 0.00 -0.53 0.00 0.00 39.78 40.77 1uaa n ASN 206 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1uaa h LYS 207 N 0.24 0.00 -5.51 1.20 3.11 0.41 -3.38 116.57 112.63 1uaa h LYS 207 Ca 0.00 0.00 -0.69 0.00 -2.81 0.00 0.00 60.65 57.15 1uaa h LYS 207 Cb 0.36 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.49 1uaa h LYS 207 CO 0.00 0.41 2.09 -0.89 -2.81 0.00 0.00 179.45 178.24 1uaa n ILE 208 N -4.68 3.99 0.08 2.00 5.41 0.12 -4.35 119.36 121.92 1uaa n ILE 208 Ca -0.06 -4.18 -0.12 0.00 1.00 0.00 0.00 62.75 59.38 1uaa n ILE 208 Cb 0.24 -2.39 -0.08 0.00 -0.71 0.00 0.00 39.64 36.70 1uaa n ILE 208 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1uaa h ARG 209 N 7.38 -0.25 -5.13 0.38 2.47 -0.61 -3.43 114.38 115.19 1uaa h ARG 209 Ca 0.43 0.02 -0.60 0.00 -1.26 0.00 0.00 59.98 58.56 1uaa h ARG 209 Cb 0.86 0.06 -0.33 0.00 -1.65 0.00 0.00 29.97 28.90 1uaa h ARG 209 CO 1.44 0.15 -0.85 -0.47 0.56 0.00 0.00 179.97 180.80 1uaa s TYR 210 N -4.01 2.02 -0.03 3.04 6.14 -0.92 -4.66 117.35 118.93 1uaa s TYR 210 Ca -0.14 -0.75 0.07 0.00 0.64 0.00 0.00 57.07 56.90 1uaa s TYR 210 Cb 0.01 -1.38 -0.02 0.00 0.42 0.00 0.00 41.96 40.99 1uaa s TYR 210 CO 0.53 -0.31 -0.25 -1.17 0.64 0.00 0.00 175.55 174.99 1uaa s LEU 211 N 0.35 2.06 0.06 6.97 2.96 -1.05 -1.50 118.68 128.52 1uaa s LEU 211 Ca -0.13 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1uaa s LEU 211 Cb -0.16 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1uaa s LEU 211 CO 0.06 0.29 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.35 1uaa s LEU 212 N -0.43 2.19 -0.06 -0.68 1.02 0.08 -1.61 118.68 119.19 1uaa s LEU 212 Ca 0.05 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.56 1uaa s LEU 212 Cb -0.11 -1.24 0.04 0.00 0.02 0.00 0.00 46.19 44.89 1uaa s LEU 212 CO 0.01 0.23 0.09 -0.69 0.02 0.00 0.00 176.35 176.01 1uaa s VAL 213 N -0.85 -0.14 0.61 -1.59 1.01 -0.53 -1.27 120.40 117.63 1uaa s VAL 213 Ca 0.12 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1uaa s VAL 213 Cb -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1uaa s VAL 213 CO 0.03 0.13 0.89 -0.62 0.00 0.00 0.00 175.10 175.53 1uaa s ASP 214 N 2.20 5.26 -1.46 3.32 2.15 -0.55 -0.02 116.67 127.56 1uaa s ASP 214 Ca 0.04 0.43 -0.11 0.00 0.43 0.00 0.00 52.55 53.35 1uaa s ASP 214 Cb -0.12 -1.30 0.06 0.00 -0.30 0.00 0.00 42.92 41.26 1uaa s ASP 214 CO -0.04 -1.24 0.80 1.21 -0.17 0.00 0.00 175.17 175.73 1uaa n GLU 215 N -2.61 -5.04 0.29 4.34 4.07 -0.86 -4.73 120.64 116.11 1uaa n GLU 215 Ca 0.06 0.64 0.18 0.00 -0.06 0.00 0.00 57.16 57.98 1uaa n GLU 215 Cb 0.59 -5.50 0.98 0.00 -0.06 0.00 0.00 31.44 27.45 1uaa n GLU 215 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1uaa h TYR 216 N -1.71 0.00 0.00 4.31 3.20 -0.81 -0.63 116.97 121.33 1uaa h TYR 216 Ca -0.53 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1uaa h TYR 216 Cb 1.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1uaa h TYR 216 CO 0.58 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 177.10 1uaa n GLN 217 N -3.56 0.19 0.02 1.82 0.00 -1.26 -2.44 117.38 112.15 1uaa n GLN 217 Ca -0.02 0.14 0.09 0.00 0.00 0.00 0.00 57.00 57.21 1uaa n GLN 217 Cb 0.15 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.78 1uaa n GLN 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1uaa n ASP 218 N -1.33 0.33 -3.78 2.61 8.00 -0.24 -4.70 116.55 117.45 1uaa n ASP 218 Ca 0.07 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 1uaa n ASP 218 Cb 0.15 1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 42.51 1uaa n ASP 218 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1uaa n THR 219 N -2.47 1.24 -3.93 -3.53 -1.04 -1.02 -4.22 114.28 99.31 1uaa n THR 219 Ca -0.05 -0.31 -0.25 0.00 -2.04 0.00 0.00 64.05 61.40 1uaa n THR 219 Cb 0.62 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.09 1uaa n THR 219 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1uaa s ASN 220 N -0.62 4.64 0.00 8.00 6.03 -1.25 -1.42 114.94 130.31 1uaa s ASN 220 Ca 0.61 -1.09 0.00 0.00 -1.03 0.00 0.00 52.86 51.35 1uaa s ASN 220 Cb -0.87 -0.11 0.00 0.00 -3.03 0.00 0.00 41.25 37.24 1uaa s ASN 220 CO 0.48 -0.80 0.83 0.41 -2.03 0.00 0.00 177.10 175.99 1uaa n THR 221 N -1.51 0.00 -0.32 0.54 -1.04 -1.26 0.69 114.28 111.38 1uaa n THR 221 Ca -0.01 1.33 -0.05 0.00 -2.04 0.00 0.00 64.05 63.27 1uaa n THR 221 Cb 0.64 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 1uaa n THR 221 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1uaa n SER 222 N -2.09 -0.70 0.17 8.00 2.88 -1.26 0.20 113.62 120.82 1uaa n SER 222 Ca 0.00 1.38 -0.14 0.00 -1.33 0.00 0.00 58.87 58.78 1uaa n SER 222 Cb 0.00 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1uaa n SER 222 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1uaa h GLN 223 N 0.00 -0.47 -0.83 -1.46 1.08 -1.61 0.40 115.11 112.22 1uaa h GLN 223 Ca 0.18 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 1uaa h GLN 223 Cb 0.38 0.11 -0.11 0.00 -0.05 0.00 0.00 27.48 27.81 1uaa h GLN 223 CO -0.75 -0.32 -0.57 -0.92 -0.95 0.00 0.00 178.83 175.32 1uaa h TYR 224 N -0.49 -1.82 0.49 2.96 5.03 0.82 0.57 116.97 124.53 1uaa h TYR 224 Ca -0.01 0.12 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1uaa h TYR 224 Cb 0.45 0.90 -0.01 0.00 1.55 0.00 0.00 36.73 39.62 1uaa h TYR 224 CO -0.15 -0.40 -0.38 0.93 -1.32 0.00 0.00 178.16 176.84 1uaa h GLU 225 N -0.11 -0.83 -1.00 1.82 3.07 0.38 0.13 114.58 118.04 1uaa h GLU 225 Ca 0.13 0.06 0.39 0.00 -0.50 0.00 0.00 59.36 59.44 1uaa h GLU 225 Cb 0.45 0.19 -0.17 0.00 -0.84 0.00 0.00 28.75 28.38 1uaa h GLU 225 CO -0.83 -0.55 0.51 1.25 -1.40 0.00 0.00 179.01 177.99 1uaa h LEU 226 N -0.86 0.32 0.49 1.33 6.46 0.20 1.59 115.31 124.82 1uaa h LEU 226 Ca -0.05 0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1uaa h LEU 226 Cb 0.74 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1uaa h LEU 226 CO -0.00 -0.36 -0.23 0.58 -0.62 0.00 0.00 178.44 177.81 1uaa h VAL 227 N 0.08 0.45 -0.47 1.05 2.07 0.16 0.13 116.25 119.71 1uaa h VAL 227 Ca 0.81 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 68.04 1uaa h VAL 227 Cb 2.04 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.31 1uaa h VAL 227 CO -0.74 0.05 -0.46 0.11 0.02 0.00 0.00 177.57 176.55 1uaa h LYS 228 N -0.89 -0.30 -0.95 1.57 1.57 0.39 0.48 116.57 118.45 1uaa h LYS 228 Ca -0.07 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.95 1uaa h LYS 228 Cb 0.59 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.85 1uaa h LYS 228 CO 0.11 -0.20 0.52 -0.07 -0.57 0.00 0.00 179.45 179.24 1uaa h LEU 229 N -0.31 0.58 -2.32 2.94 4.07 -0.10 0.72 115.31 120.88 1uaa h LEU 229 Ca 0.14 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 1uaa h LEU 229 Cb 0.58 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1uaa h LEU 229 CO -0.62 0.12 -0.03 -0.07 -1.08 0.00 0.00 178.44 176.76 1uaa h LEU 230 N 0.57 0.00 -6.00 1.67 3.38 0.27 -3.33 115.31 111.88 1uaa h LEU 230 Ca 0.58 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.57 1uaa h LEU 230 Cb 1.03 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 1uaa h LEU 230 CO -0.46 0.03 -0.38 -0.69 0.09 0.00 0.00 178.44 177.03 1uaa s VAL 231 N -4.56 -0.98 0.00 1.22 1.01 0.24 -4.38 120.40 112.94 1uaa s VAL 231 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1uaa s VAL 231 Cb 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1uaa s VAL 231 CO 0.56 0.00 0.03 0.61 0.00 0.00 0.00 175.10 176.31 1uaa n GLY 232 N 5.31 0.88 0.00 4.51 0.00 -0.58 -4.37 105.19 110.94 1uaa n GLY 232 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1uaa n GLY 232 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uaa n SER 233 N -0.95 1.82 0.07 1.61 2.88 -1.26 -4.28 113.62 113.51 1uaa n SER 233 Ca 0.00 -0.34 0.14 0.00 -1.33 0.00 0.00 58.87 57.34 1uaa n SER 233 Cb 0.00 1.17 0.63 0.00 -0.75 0.00 0.00 64.21 65.25 1uaa n SER 233 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1uaa h ARG 234 N 0.00 0.10 -2.75 -1.46 2.43 -1.99 -3.45 114.38 107.27 1uaa h ARG 234 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1uaa h ARG 234 Cb 0.25 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1uaa h ARG 234 CO 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 179.97 178.53 1uaa n ALA 235 N -2.58 -0.31 -2.11 2.80 0.00 -1.26 -4.82 120.51 112.23 1uaa n ALA 235 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1uaa n ALA 235 Cb 0.37 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 1uaa n ALA 235 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uaa s ARG 236 N -2.71 2.66 0.17 0.00 1.81 -1.26 -1.87 118.95 117.74 1uaa s ARG 236 Ca 0.00 -0.60 -0.03 0.00 -1.72 0.00 0.00 55.73 53.38 1uaa s ARG 236 Cb 0.00 -5.14 0.01 0.00 -0.45 0.00 0.00 34.95 29.37 1uaa s ARG 236 CO 0.00 -3.40 0.27 1.97 -0.68 0.00 0.00 175.30 173.46 1uaa n PHE 237 N 13.52 -1.11 -3.19 -0.53 1.16 -1.26 -2.53 117.46 123.52 1uaa n PHE 237 Ca 0.41 -1.03 0.02 0.00 -1.87 0.00 0.00 57.45 54.98 1uaa n PHE 237 Cb 0.47 0.30 -0.01 0.00 -1.61 0.00 0.00 39.48 38.64 1uaa n PHE 237 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1uaa s THR 238 N -2.60 -0.97 0.39 1.97 2.01 -0.64 -2.65 115.64 113.15 1uaa s THR 238 Ca 0.12 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1uaa s THR 238 Cb -0.01 -0.55 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 1uaa s THR 238 CO 0.08 -0.03 0.92 -0.69 -0.69 0.00 0.00 174.62 174.22 1uaa s VAL 239 N 2.35 4.38 -0.03 3.82 1.01 -0.65 -1.46 120.40 129.83 1uaa s VAL 239 Ca 0.13 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1uaa s VAL 239 Cb -0.08 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1uaa s VAL 239 CO -0.17 -0.19 -0.03 -0.69 0.00 0.00 0.00 175.10 174.01 1uaa s VAL 240 N -2.02 0.39 0.00 2.92 1.01 0.97 -1.69 120.40 121.98 1uaa s VAL 240 Ca 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1uaa s VAL 240 Cb -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1uaa s VAL 240 CO 0.16 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1uaa n GLY 241 N 3.81 1.26 3.41 4.51 0.00 -0.69 -0.24 105.19 117.25 1uaa n GLY 241 Ca -0.23 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1uaa n GLY 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uaa s ASP 242 N 0.14 -0.67 0.09 1.61 -1.08 -1.26 -0.90 116.67 114.60 1uaa s ASP 242 Ca 0.00 1.12 0.26 0.00 -0.52 0.00 0.00 52.55 53.41 1uaa s ASP 242 Cb 0.00 1.00 0.73 0.00 -1.46 0.00 0.00 42.92 43.19 1uaa s ASP 242 CO 0.00 -0.21 1.61 -0.90 0.52 0.00 0.00 175.17 176.19 1uaa n ASP 243 N 4.24 0.51 -0.31 -0.34 5.75 -1.26 -3.41 116.55 121.73 1uaa n ASP 243 Ca -0.22 0.25 0.13 0.00 -0.01 0.00 0.00 54.79 54.94 1uaa n ASP 243 Cb 0.57 -0.23 0.60 0.00 -1.03 0.00 0.00 41.12 41.03 1uaa n ASP 243 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1uaa n ASP 244 N -1.86 0.94 -0.41 -1.12 8.00 -1.26 -3.27 116.55 117.58 1uaa n ASP 244 Ca 0.05 -1.41 0.04 0.00 0.71 0.00 0.00 54.79 54.18 1uaa n ASP 244 Cb 0.39 -0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.56 1uaa n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uaa n GLN 245 N -0.23 2.92 -2.25 -1.24 6.02 -1.22 -4.73 117.38 116.66 1uaa n GLN 245 Ca 0.19 -1.85 -0.43 0.00 -0.01 0.00 0.00 57.00 54.90 1uaa n GLN 245 Cb 0.25 -1.17 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 1uaa n GLN 245 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1uaa s SER 246 N -1.00 6.62 0.00 1.08 1.04 -1.20 -4.74 113.70 115.50 1uaa s SER 246 Ca 0.15 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1uaa s SER 246 Cb 0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1uaa s SER 246 CO 0.10 -1.05 0.00 2.30 0.98 0.00 0.00 173.24 175.57 1uaa n ILE 247 N 5.98 0.00 -1.27 -1.02 -5.35 -1.26 -4.75 119.36 111.70 1uaa n ILE 247 Ca 0.16 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.41 1uaa n ILE 247 Cb 0.45 0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.41 1uaa n ILE 247 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1uaa n TYR 248 N -0.64 1.58 -0.05 4.28 4.01 -1.26 -4.42 117.16 120.66 1uaa n TYR 248 Ca 0.00 -1.97 -0.09 0.00 -0.16 0.00 0.00 57.90 55.68 1uaa n TYR 248 Cb 0.03 -1.24 0.07 0.00 -0.31 0.00 0.00 39.34 37.90 1uaa n TYR 248 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1uaa h SER 249 N 2.44 0.73 0.00 7.72 4.64 -1.89 -2.24 113.55 124.96 1uaa h SER 249 Ca 0.36 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1uaa h SER 249 Cb 0.81 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1uaa h SER 249 CO 0.84 1.02 0.00 -2.67 -0.87 0.00 0.00 176.83 175.15 1uaa n TRP 250 N -4.06 0.00 -2.16 4.77 4.27 -1.26 -2.50 117.44 116.51 1uaa n TRP 250 Ca -0.01 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.56 1uaa n TRP 250 Cb 0.50 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.54 1uaa n TRP 250 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1uaa n ARG 251 N -0.87 1.83 -0.62 -2.67 5.12 -0.86 -4.97 116.66 113.64 1uaa n ARG 251 Ca 0.05 -3.30 0.00 0.00 -1.93 0.00 0.00 57.85 52.67 1uaa n ARG 251 Cb 0.02 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 1uaa n ARG 251 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uaa n GLY 252 N -0.55 0.75 3.61 -0.13 0.00 -1.04 -5.01 105.19 102.81 1uaa n GLY 252 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1uaa n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uaa s ALA 253 N -2.57 3.36 -0.54 4.61 0.00 -1.14 -3.87 121.76 121.62 1uaa s ALA 253 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 1uaa s ALA 253 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1uaa s ALA 253 CO 0.00 -1.76 1.56 1.03 0.00 0.00 0.00 175.76 176.60 1uaa s ARG 254 N 3.75 3.17 0.14 0.00 0.52 -0.51 -4.39 118.95 121.63 1uaa s ARG 254 Ca 0.42 0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 56.01 1uaa s ARG 254 Cb -0.11 -4.19 -0.01 0.00 0.52 0.00 0.00 34.95 31.16 1uaa s ARG 254 CO 0.21 -2.09 1.62 -1.00 0.02 0.00 0.00 175.30 174.06 1uaa h PRO 255 N 12.14 -0.34 -0.47 3.54 0.13 -1.88 -1.48 132.00 143.65 1uaa h PRO 255 Ca -0.28 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1uaa h PRO 255 Cb 1.12 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uaa h PRO 255 CO 1.16 -0.23 0.00 1.04 -0.23 0.00 0.00 178.00 179.75 1uaa n GLN 256 N -5.40 0.47 -0.30 0.86 1.13 -1.26 -3.83 117.38 109.05 1uaa n GLN 256 Ca -0.03 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.06 1uaa n GLN 256 Cb 0.31 -1.23 0.16 0.00 0.11 0.00 0.00 30.24 29.59 1uaa n GLN 256 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1uaa h ASN 257 N 0.51 0.76 -0.12 1.08 2.35 -1.62 1.54 115.58 120.07 1uaa h ASN 257 Ca 0.00 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1uaa h ASN 257 Cb 0.23 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1uaa h ASN 257 CO 0.00 0.45 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.02 1uaa h LEU 258 N 0.88 0.47 0.11 1.61 3.38 -1.84 -0.68 115.31 119.25 1uaa h LEU 258 Ca 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1uaa h LEU 258 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1uaa h LEU 258 CO -0.22 0.64 -0.05 0.58 0.09 0.00 0.00 178.44 179.48 1uaa h VAL 259 N 0.45 0.26 -0.96 1.22 2.07 -1.27 -2.88 116.25 115.14 1uaa h VAL 259 Ca 0.08 -1.05 0.31 0.00 0.82 0.00 0.00 66.70 66.86 1uaa h VAL 259 Cb 0.51 0.47 -0.16 0.00 -1.52 0.00 0.00 31.29 30.59 1uaa h VAL 259 CO 0.03 0.08 0.33 -0.07 0.02 0.00 0.00 177.57 177.97 1uaa h LEU 260 N -1.02 0.08 -0.04 2.57 4.07 0.21 1.34 115.31 122.51 1uaa h LEU 260 Ca -0.02 0.23 0.04 0.00 0.08 0.00 0.00 57.88 58.21 1uaa h LEU 260 Cb 0.25 0.29 -0.05 0.00 1.08 0.00 0.00 40.66 42.23 1uaa h LEU 260 CO 0.03 -0.27 -0.27 0.25 -1.08 0.00 0.00 178.44 177.10 1uaa h LEU 261 N 0.13 -0.81 -1.97 1.67 5.85 -1.17 0.99 115.31 120.00 1uaa h LEU 261 Ca 0.68 0.12 0.28 0.00 0.84 0.00 0.00 57.88 59.79 1uaa h LEU 261 Cb 1.55 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 1uaa h LEU 261 CO -0.74 -0.33 0.69 0.77 -0.34 0.00 0.00 178.44 178.49 1uaa h SER 262 N -0.39 0.03 0.00 1.25 4.64 0.20 -2.34 113.55 116.93 1uaa h SER 262 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1uaa h SER 262 Cb 0.50 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1uaa h SER 262 CO -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.70 1uaa n GLN 263 N -4.27 0.00 -0.01 4.77 6.02 0.31 -3.22 117.38 120.98 1uaa n GLN 263 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1uaa n GLN 263 Cb 1.01 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 31.80 1uaa n GLN 263 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1uaa n ASP 264 N -0.42 0.34 -2.69 1.08 5.75 -1.00 -2.96 116.55 116.64 1uaa n ASP 264 Ca 0.00 -0.32 -0.04 0.00 -0.01 0.00 0.00 54.79 54.42 1uaa n ASP 264 Cb 0.00 -0.06 0.04 0.00 -1.03 0.00 0.00 41.12 40.07 1uaa n ASP 264 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1uaa n PHE 265 N 1.07 -1.29 0.94 2.11 3.72 -0.89 -5.02 117.46 118.10 1uaa n PHE 265 Ca 0.00 -0.84 0.14 0.00 -0.05 0.00 0.00 57.45 56.69 1uaa n PHE 265 Cb 0.05 1.18 0.55 0.00 -0.94 0.00 0.00 39.48 40.32 1uaa n PHE 265 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1uaa n PRO 266 N 2.31 0.04 -0.33 -1.08 -0.04 -1.16 -3.38 135.00 131.37 1uaa n PRO 266 Ca 0.10 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1uaa n PRO 266 Cb 0.65 -1.54 0.19 0.00 -0.04 0.00 0.00 33.50 32.76 1uaa n PRO 266 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uaa n ALA 267 N -1.54 2.80 -1.69 0.55 0.00 -1.26 -4.94 120.51 114.43 1uaa n ALA 267 Ca 0.07 -0.84 -0.44 0.00 0.00 0.00 0.00 53.44 52.22 1uaa n ALA 267 Cb 0.35 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1uaa n ALA 267 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1uaa n LEU 268 N 0.51 3.41 -4.14 0.00 7.94 -1.22 -4.74 117.00 118.76 1uaa n LEU 268 Ca 0.14 1.12 -0.38 0.00 -1.11 0.00 0.00 56.01 55.78 1uaa n LEU 268 Cb 0.52 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 1uaa n LEU 268 CO 0.13 -0.25 -0.04 -0.75 -1.11 0.00 0.00 177.39 175.37 1uaa s LYS 269 N 0.14 2.36 -0.50 1.96 2.36 -1.05 -4.99 119.74 120.01 1uaa s LYS 269 Ca 0.71 -2.07 -0.28 0.00 -2.55 0.00 0.00 55.97 51.78 1uaa s LYS 269 Cb -0.62 -3.74 0.01 0.00 -1.05 0.00 0.00 37.83 32.43 1uaa s LYS 269 CO 0.44 -1.14 1.41 0.08 1.55 0.00 0.00 175.35 177.68 1uaa s VAL 270 N 0.75 3.85 -0.22 4.02 1.01 -1.26 -2.25 120.40 126.30 1uaa s VAL 270 Ca 0.11 0.80 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 1uaa s VAL 270 Cb -0.22 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1uaa s VAL 270 CO -0.03 -0.99 0.13 -0.63 0.00 0.00 0.00 175.10 173.58 1uaa s ILE 271 N 5.77 5.21 -0.06 2.22 1.01 0.42 -4.96 121.20 130.81 1uaa s ILE 271 Ca 0.56 0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.38 1uaa s ILE 271 Cb -0.12 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1uaa s ILE 271 CO 0.29 0.39 -0.19 -1.59 0.00 0.00 0.00 174.94 173.84 1uaa s LYS 272 N 0.77 2.57 -0.34 2.79 0.00 -1.26 -0.35 119.74 123.92 1uaa s LYS 272 Ca 0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 55.97 55.11 1uaa s LYS 272 Cb -0.13 -2.30 -0.02 0.00 0.00 0.00 0.00 37.83 35.39 1uaa s LYS 272 CO 0.02 0.49 0.27 -0.51 0.00 0.00 0.00 175.35 175.62 1uaa s LEU 273 N -0.41 4.50 -0.04 2.77 1.43 -1.11 -4.79 118.68 121.03 1uaa s LEU 273 Ca 0.04 -0.37 0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1uaa s LEU 273 Cb -0.12 -2.19 -0.16 0.00 0.03 0.00 0.00 46.19 43.75 1uaa s LEU 273 CO 0.02 -0.26 0.19 -0.62 0.23 0.00 0.00 176.35 175.91 1uaa n GLU 274 N 5.18 0.88 -2.24 1.70 1.02 -1.26 -1.11 120.64 124.80 1uaa n GLU 274 Ca -0.12 -0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 1uaa n GLU 274 Cb 0.50 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 1uaa n GLU 274 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1uaa s GLN 275 N -2.63 4.34 -0.08 3.49 0.74 -1.26 -1.82 119.66 122.44 1uaa s GLN 275 Ca -0.04 1.98 0.00 0.00 0.05 0.00 0.00 55.36 57.35 1uaa s GLN 275 Cb 0.06 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1uaa s GLN 275 CO 0.45 -0.41 -0.06 1.21 -0.55 0.00 0.00 175.29 175.93 1uaa s ASN 276 N 1.21 4.68 0.00 6.67 3.84 0.20 -4.20 114.94 127.34 1uaa s ASN 276 Ca 0.63 -0.04 0.20 0.00 0.21 0.00 0.00 52.86 53.86 1uaa s ASN 276 Cb -0.34 -1.29 0.11 0.00 -0.55 0.00 0.00 41.25 39.18 1uaa s ASN 276 CO 0.29 0.33 1.10 -1.22 -2.79 0.00 0.00 177.10 174.81 1uaa n TYR 277 N 2.44 0.00 -0.02 0.43 4.01 -0.71 -3.94 117.16 119.38 1uaa n TYR 277 Ca -0.18 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.50 1uaa n TYR 277 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 1uaa n TYR 277 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1uaa n ARG 278 N 0.80 0.25 -2.44 -0.72 1.85 -1.26 -5.01 116.66 110.12 1uaa n ARG 278 Ca 0.11 0.10 -0.35 0.00 -1.00 0.00 0.00 57.85 56.71 1uaa n ARG 278 Cb 0.48 -0.93 -0.02 0.00 -1.05 0.00 0.00 32.46 30.93 1uaa n ARG 278 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1uaa s SER 279 N -5.99 6.16 1.08 2.89 0.01 -1.26 -4.74 113.70 111.84 1uaa s SER 279 Ca -0.14 2.03 -0.12 0.00 1.31 0.00 0.00 55.95 59.03 1uaa s SER 279 Cb 0.03 -2.57 0.24 0.00 0.21 0.00 0.00 66.02 63.92 1uaa s SER 279 CO 0.20 -0.91 1.06 -0.55 0.41 0.00 0.00 173.24 173.46 1uaa s SER 280 N -1.86 1.67 0.12 2.44 0.15 -0.89 -4.71 113.70 110.62 1uaa s SER 280 Ca 0.68 1.68 -0.17 0.00 0.70 0.00 0.00 55.95 58.85 1uaa s SER 280 Cb -0.20 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1uaa s SER 280 CO 0.23 -3.80 1.63 1.23 1.20 0.00 0.00 173.24 173.73 1uaa h GLY 281 N -2.35 0.57 0.59 9.45 0.00 -1.69 -2.11 103.07 107.53 1uaa h GLY 281 Ca -0.56 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 46.53 1uaa h GLY 281 CO 0.48 0.32 0.60 -0.09 0.00 0.00 0.00 176.54 177.85 1uaa h ARG 282 N 0.39 0.99 -0.03 4.80 2.43 -1.89 0.12 114.38 121.19 1uaa h ARG 282 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1uaa h ARG 282 Cb 0.26 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1uaa h ARG 282 CO -0.00 0.66 0.00 0.82 -1.51 0.00 0.00 179.97 179.94 1uaa h ILE 283 N 1.02 1.22 -0.97 1.20 5.03 -1.75 -2.42 117.51 120.84 1uaa h ILE 283 Ca 0.45 -0.66 0.07 0.00 -0.12 0.00 0.00 64.86 64.60 1uaa h ILE 283 Cb 0.33 1.61 -0.07 0.00 -3.03 0.00 0.00 36.82 35.66 1uaa h ILE 283 CO -0.22 0.18 0.62 -0.07 -0.68 0.00 0.00 178.15 177.97 1uaa h LEU 284 N -0.21 0.97 -0.49 1.44 3.38 -0.68 -0.38 115.31 119.33 1uaa h LEU 284 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uaa h LEU 284 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1uaa h LEU 284 CO 0.00 0.61 0.31 0.50 0.09 0.00 0.00 178.44 179.95 1uaa h LYS 285 N 1.10 0.66 0.44 1.13 3.64 -0.41 0.68 116.57 123.82 1uaa h LYS 285 Ca 0.43 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1uaa h LYS 285 Cb 0.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1uaa h LYS 285 CO -0.19 0.46 -0.21 0.00 -2.27 0.00 0.00 179.45 177.24 1uaa h ALA 286 N 1.16 -0.60 -0.36 5.00 0.00 -0.79 -1.21 119.26 122.46 1uaa h ALA 286 Ca 0.18 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1uaa h ALA 286 Cb -0.04 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1uaa h ALA 286 CO -0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 179.25 178.24 1uaa h ALA 287 N -0.10 0.13 -0.86 0.00 0.00 -0.65 0.66 119.26 118.44 1uaa h ALA 287 Ca -0.06 0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1uaa h ALA 287 Cb 0.48 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1uaa h ALA 287 CO 0.10 -0.53 0.57 -0.91 0.00 0.00 0.00 179.25 178.48 1uaa h ASN 288 N -0.10 0.42 0.00 0.00 2.35 0.63 -1.95 115.58 116.93 1uaa h ASN 288 Ca 0.18 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1uaa h ASN 288 Cb 0.37 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1uaa h ASN 288 CO -0.43 0.18 -0.51 0.40 -1.65 0.00 0.00 177.43 175.43 1uaa h ILE 289 N 0.42 1.11 -1.00 2.81 2.04 0.80 -3.26 117.51 120.44 1uaa h ILE 289 Ca 0.44 -2.01 0.21 0.00 1.00 0.00 0.00 64.86 64.49 1uaa h ILE 289 Cb 1.05 2.28 -0.19 0.00 -0.74 0.00 0.00 36.82 39.22 1uaa h ILE 289 CO -0.16 0.38 -0.22 -0.11 0.00 0.00 0.00 178.15 178.04 1uaa n LEU 290 N -4.56 -0.33 0.16 1.44 7.94 0.19 -0.37 117.00 121.47 1uaa n LEU 290 Ca -0.17 1.71 0.13 0.00 -1.11 0.00 0.00 56.01 56.57 1uaa n LEU 290 Cb 0.48 -0.53 0.51 0.00 0.53 0.00 0.00 43.42 44.42 1uaa n LEU 290 CO 0.23 -1.65 0.89 -0.29 -1.11 0.00 0.00 177.39 175.45 1uaa h ILE 291 N 0.00 0.00 0.00 1.96 6.09 -1.51 -2.71 117.51 121.34 1uaa h ILE 291 Ca 0.49 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.63 1uaa h ILE 291 Cb 0.79 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.27 1uaa h ILE 291 CO -1.01 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.07 1uaa n ALA 292 N -1.86 2.32 1.17 0.18 0.00 0.50 -1.11 120.51 121.72 1uaa n ALA 292 Ca 0.02 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.48 1uaa n ALA 292 Cb 0.28 -1.43 0.55 0.00 0.00 0.00 0.00 19.45 18.85 1uaa n ALA 292 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1uaa n ASN 293 N -1.30 0.25 -4.81 0.00 3.02 -1.02 -4.76 115.26 106.65 1uaa n ASN 293 Ca 0.12 -0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 1uaa n ASN 293 Cb 0.22 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 1uaa n ASN 293 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1uaa s ASN 294 N -2.79 7.11 0.01 6.41 2.47 -0.26 -4.96 114.94 122.94 1uaa s ASN 294 Ca 0.20 1.41 -0.34 0.00 0.42 0.00 0.00 52.86 54.54 1uaa s ASN 294 Cb 0.19 -2.41 -0.13 0.00 -1.45 0.00 0.00 41.25 37.45 1uaa s ASN 294 CO 0.54 0.13 1.75 -0.81 -3.72 0.00 0.00 177.10 174.99 1uaa n PRO 295 N 1.12 2.15 -4.96 0.43 -0.04 -1.26 -4.89 135.00 127.54 1uaa n PRO 295 Ca -0.05 0.78 -0.27 0.00 -0.04 0.00 0.00 63.50 63.92 1uaa n PRO 295 Cb 0.50 -2.59 -0.16 0.00 -0.04 0.00 0.00 33.50 31.21 1uaa n PRO 295 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1uaa s HIS 296 N 2.75 1.90 0.00 0.54 2.46 -1.26 -5.05 115.29 116.63 1uaa s HIS 296 Ca 0.87 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 55.87 1uaa s HIS 296 Cb -0.69 -1.27 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 1uaa s HIS 296 CO 0.46 -0.16 0.00 0.28 -2.47 0.00 0.00 174.74 172.85 1uaa n VAL 297 N 3.04 0.00 -2.14 0.89 0.31 -1.26 -4.92 118.33 114.24 1uaa n VAL 297 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 1uaa n VAL 297 Cb 0.53 -0.43 -0.03 0.00 -0.91 0.00 0.00 33.84 33.00 1uaa n VAL 297 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1uaa s PHE 298 N 0.00 3.18 0.06 3.52 0.40 -1.26 -4.98 117.98 118.90 1uaa s PHE 298 Ca 0.00 1.11 -0.23 0.00 -0.60 0.00 0.00 56.93 57.21 1uaa s PHE 298 Cb 0.00 -3.69 -0.06 0.00 0.51 0.00 0.00 43.02 39.78 1uaa s PHE 298 CO 0.00 -2.22 0.70 -2.00 0.70 0.00 0.00 175.22 172.41 1uaa s GLU 299 N -0.01 4.43 -0.14 0.44 -6.30 -1.26 -5.03 118.70 110.83 1uaa s GLU 299 Ca 0.59 0.97 -0.05 0.00 -2.50 0.00 0.00 54.97 53.97 1uaa s GLU 299 Cb -0.38 -3.33 0.07 0.00 0.00 0.00 0.00 34.13 30.49 1uaa s GLU 299 CO 0.38 0.39 0.29 0.21 0.02 0.00 0.00 175.26 176.56 1uaa s LYS 300 N -0.39 0.20 -0.29 4.30 2.20 -1.26 -5.12 119.74 119.37 1uaa s LYS 300 Ca 0.35 0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 56.71 1uaa s LYS 300 Cb -0.20 0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.23 1uaa s LYS 300 CO 0.22 -0.26 0.11 0.50 -0.36 0.00 0.00 175.35 175.56 1uaa s ARG 301 N 2.24 0.50 0.71 4.03 6.06 -1.26 -5.07 118.95 126.15 1uaa s ARG 301 Ca -0.01 -0.81 -0.15 0.00 -2.50 0.00 0.00 55.73 52.25 1uaa s ARG 301 Cb -0.12 -1.68 0.03 0.00 0.06 0.00 0.00 34.95 33.25 1uaa s ARG 301 CO -0.09 -0.98 1.19 -0.51 -2.50 0.00 0.00 175.30 172.41 1uaa s LEU 302 N 1.82 3.34 -0.28 -0.88 1.43 -1.26 -4.93 118.68 117.92 1uaa s LEU 302 Ca 0.09 2.30 -0.24 0.00 -1.03 0.00 0.00 54.13 55.25 1uaa s LEU 302 Cb -0.17 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.56 1uaa s LEU 302 CO -0.29 -2.14 0.85 0.72 0.23 0.00 0.00 176.35 175.72 1uaa s PHE 303 N -2.02 -0.69 0.28 0.29 -0.71 -0.75 -4.89 117.98 109.49 1uaa s PHE 303 Ca 0.73 1.62 0.09 0.00 -1.04 0.00 0.00 56.93 58.34 1uaa s PHE 303 Cb -0.28 0.34 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 1uaa s PHE 303 CO 0.44 -0.33 -0.13 -1.54 -1.34 0.00 0.00 175.22 172.32 1uaa s SER 304 N 0.48 3.27 -0.36 1.98 1.04 -1.26 0.59 113.70 119.43 1uaa s SER 304 Ca -0.00 -1.11 0.08 0.00 0.48 0.00 0.00 55.95 55.40 1uaa s SER 304 Cb -0.05 -0.26 0.73 0.00 0.10 0.00 0.00 66.02 66.55 1uaa s SER 304 CO -0.04 -0.15 1.85 1.21 0.98 0.00 0.00 173.24 177.09 1uaa n GLU 305 N -0.62 3.34 -3.68 4.02 4.07 -1.25 -4.81 120.64 121.70 1uaa n GLU 305 Ca -0.06 -3.08 -0.21 0.00 -0.06 0.00 0.00 57.16 53.75 1uaa n GLU 305 Cb 0.62 -2.22 -0.04 0.00 -0.06 0.00 0.00 31.44 29.74 1uaa n GLU 305 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1uaa s LEU 306 N -3.09 3.41 0.57 4.31 1.43 -1.26 -5.09 118.68 118.96 1uaa s LEU 306 Ca 0.56 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1uaa s LEU 306 Cb 0.45 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1uaa s LEU 306 CO 0.13 -0.57 1.12 -0.83 0.23 0.00 0.00 176.35 176.43 1uaa s GLY 307 N -4.07 2.50 0.32 -3.19 0.00 -1.26 -4.15 107.32 97.47 1uaa s GLY 307 Ca 0.46 0.74 -0.29 0.00 0.00 0.00 0.00 44.72 45.62 1uaa s GLY 307 CO 0.27 1.10 1.57 -0.47 0.00 0.00 0.00 173.10 175.56 1uaa s TYR 308 N -1.93 2.70 0.00 1.90 5.04 -1.26 -2.96 117.35 120.84 1uaa s TYR 308 Ca 0.71 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1uaa s TYR 308 Cb -0.23 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.02 1uaa s TYR 308 CO 0.30 -3.45 0.00 0.41 -1.34 0.00 0.00 175.55 171.48 1uaa n GLY 309 N 1.71 1.21 3.75 8.97 0.00 -1.26 -4.85 105.19 114.72 1uaa n GLY 309 Ca 0.06 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1uaa n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uaa s ALA 310 N -3.68 3.48 0.47 4.61 0.00 -1.26 -4.96 121.76 120.43 1uaa s ALA 310 Ca 0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 1uaa s ALA 310 Cb 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 1uaa s ALA 310 CO 0.00 0.73 1.04 -0.85 0.00 0.00 0.00 175.76 176.68 1uaa n GLU 311 N 0.53 1.32 -2.68 0.00 0.28 -1.26 -4.76 120.64 114.08 1uaa n GLU 311 Ca -0.09 0.48 -0.43 0.00 -0.16 0.00 0.00 57.16 56.96 1uaa n GLU 311 Cb 0.52 -2.13 -0.02 0.00 1.43 0.00 0.00 31.44 31.23 1uaa n GLU 311 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1uaa s LEU 312 N -1.10 4.17 0.24 -1.84 1.43 -0.31 -4.74 118.68 116.54 1uaa s LEU 312 Ca 0.66 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1uaa s LEU 312 Cb -0.51 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1uaa s LEU 312 CO 0.54 -0.56 0.43 -0.54 0.23 0.00 0.00 176.35 176.46 1uaa s LYS 313 N 2.63 3.51 -0.50 1.70 1.02 -1.15 -0.95 119.74 125.99 1uaa s LYS 313 Ca 0.46 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.11 1uaa s LYS 313 Cb -0.17 -2.79 0.14 0.00 -0.52 0.00 0.00 37.83 34.49 1uaa s LYS 313 CO 0.12 0.34 0.30 0.08 -0.92 0.00 0.00 175.35 175.26 1uaa s VAL 314 N -1.99 1.79 -0.05 3.17 1.01 -1.13 -0.75 120.40 122.44 1uaa s VAL 314 Ca 0.39 -3.03 -0.30 0.00 0.00 0.00 0.00 61.98 59.04 1uaa s VAL 314 Cb -0.10 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1uaa s VAL 314 CO 0.31 -0.93 1.28 -0.76 0.00 0.00 0.00 175.10 175.00 1uaa s LEU 315 N -0.13 4.28 -0.40 3.92 1.43 -0.04 -2.41 118.68 125.34 1uaa s LEU 315 Ca 0.20 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 1uaa s LEU 315 Cb -0.18 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1uaa s LEU 315 CO -0.05 -0.66 0.25 -0.44 0.23 0.00 0.00 176.35 175.68 1uaa s SER 316 N 1.72 5.80 0.35 2.29 0.01 -1.26 -2.33 113.70 120.28 1uaa s SER 316 Ca 0.59 -1.13 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 1uaa s SER 316 Cb -0.27 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1uaa s SER 316 CO 0.23 -0.45 0.62 0.00 0.41 0.00 0.00 173.24 174.04 1uaa s ALA 317 N 1.55 3.57 -0.07 1.44 0.00 0.19 -4.89 121.76 123.54 1uaa s ALA 317 Ca 0.03 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.16 1uaa s ALA 317 Cb -0.21 -2.36 -0.27 0.00 0.00 0.00 0.00 23.12 20.29 1uaa s ALA 317 CO 0.06 0.06 0.92 -0.91 0.00 0.00 0.00 175.76 175.89 1uaa h ASN 318 N 1.19 0.24 -3.21 0.00 2.35 -1.92 2.04 115.58 116.27 1uaa h ASN 318 Ca -0.48 -0.89 -0.20 0.00 -0.55 0.00 0.00 56.30 54.18 1uaa h ASN 318 Cb 1.20 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 39.44 1uaa h ASN 318 CO 0.64 1.11 -0.20 -0.46 -1.65 0.00 0.00 177.43 176.88 1uaa n ASN 319 N -4.41 -0.26 -0.25 5.81 6.94 -1.26 -0.71 115.26 121.12 1uaa n ASN 319 Ca -0.11 -1.92 0.04 0.00 -0.02 0.00 0.00 54.58 52.57 1uaa n ASN 319 Cb 0.60 0.70 0.16 0.00 -2.36 0.00 0.00 39.78 38.88 1uaa n ASN 319 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1uaa h GLU 320 N 0.00 0.45 0.11 -3.83 4.81 -1.94 -2.43 114.58 111.76 1uaa h GLU 320 Ca -0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1uaa h GLU 320 Cb 0.50 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1uaa h GLU 320 CO 0.15 0.30 -0.06 0.93 -0.73 0.00 0.00 179.01 179.60 1uaa h GLU 321 N 0.46 -0.15 -0.86 1.92 5.08 -1.95 -3.27 114.58 115.81 1uaa h GLU 321 Ca 0.38 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.98 1uaa h GLU 321 Cb 0.54 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.66 1uaa h GLU 321 CO -0.36 0.34 -0.03 1.58 -1.00 0.00 0.00 179.01 179.53 1uaa n HIS 322 N -4.87 0.50 -0.02 4.33 -0.00 -0.94 -0.72 115.22 113.50 1uaa n HIS 322 Ca -0.08 1.04 -0.04 0.00 0.46 0.00 0.00 57.72 59.11 1uaa n HIS 322 Cb 0.28 -1.12 -0.03 0.00 -0.12 0.00 0.00 29.99 29.01 1uaa n HIS 322 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1uaa h GLU 323 N 0.00 -0.12 -0.78 1.57 4.81 -1.53 0.37 114.58 118.90 1uaa h GLU 323 Ca 0.50 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.92 1uaa h GLU 323 Cb 0.98 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.27 1uaa h GLU 323 CO -0.83 -0.08 0.21 0.00 -0.73 0.00 0.00 179.01 177.58 1uaa h ALA 324 N -1.06 1.05 -0.08 2.92 0.00 -1.04 0.32 119.26 121.38 1uaa h ALA 324 Ca 0.01 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1uaa h ALA 324 Cb 0.16 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1uaa h ALA 324 CO -0.13 -0.36 -0.17 1.49 0.00 0.00 0.00 179.25 180.08 1uaa h GLU 325 N 0.27 -0.23 -0.05 0.00 4.81 -0.24 0.61 114.58 119.75 1uaa h GLU 325 Ca 0.45 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 1uaa h GLU 325 Cb 0.81 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1uaa h GLU 325 CO -0.54 -0.16 -0.02 0.00 -0.73 0.00 0.00 179.01 177.56 1uaa h ARG 326 N -0.24 -0.01 0.63 1.92 2.47 0.34 0.12 114.38 119.61 1uaa h ARG 326 Ca 0.08 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1uaa h ARG 326 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1uaa h ARG 326 CO -0.22 -0.01 -0.36 0.28 0.56 0.00 0.00 179.97 180.22 1uaa h VAL 327 N -0.01 0.00 -1.03 2.04 2.07 -0.30 0.79 116.25 119.80 1uaa h VAL 327 Ca 0.03 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.82 1uaa h VAL 327 Cb 0.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.71 1uaa h VAL 327 CO -0.06 0.00 0.63 0.71 0.02 0.00 0.00 177.57 178.87 1uaa h THR 328 N -0.93 0.49 0.32 2.57 1.35 -0.90 1.51 112.91 117.32 1uaa h THR 328 Ca -0.09 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 1uaa h THR 328 Cb 0.73 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1uaa h THR 328 CO 0.10 0.09 -0.15 1.23 -0.25 0.00 0.00 175.52 176.54 1uaa h GLY 329 N 0.47 -0.44 2.00 5.82 0.00 0.11 -1.62 103.07 109.41 1uaa h GLY 329 Ca 0.65 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 48.10 1uaa h GLY 329 CO -0.43 -0.16 -0.20 -2.09 0.00 0.00 0.00 176.54 173.66 1uaa h GLU 330 N -0.61 0.00 0.67 4.80 4.57 0.39 -2.52 114.58 121.88 1uaa h GLU 330 Ca -0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1uaa h GLU 330 Cb 0.44 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1uaa h GLU 330 CO 0.07 0.20 -0.32 1.25 -1.18 0.00 0.00 179.01 179.03 1uaa h LEU 331 N 0.00 -0.76 -0.53 1.64 6.46 0.22 -2.65 115.31 119.69 1uaa h LEU 331 Ca -0.00 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.85 1uaa h LEU 331 Cb 0.69 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.71 1uaa h LEU 331 CO 0.03 -0.41 -0.13 0.40 -0.62 0.00 0.00 178.44 177.70 1uaa h ILE 332 N -1.12 0.47 0.57 4.05 2.04 -0.91 -2.06 117.51 120.56 1uaa h ILE 332 Ca -0.09 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1uaa h ILE 332 Cb 0.72 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1uaa h ILE 332 CO 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.97 1uaa h ALA 333 N 1.53 -0.86 -0.23 1.87 0.00 -1.46 0.61 119.26 120.71 1uaa h ALA 333 Ca 0.25 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1uaa h ALA 333 Cb 0.39 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1uaa h ALA 333 CO -0.54 -0.99 -0.18 1.25 0.00 0.00 0.00 179.25 178.78 1uaa h HIS 334 N -0.85 -0.56 -0.74 0.00 6.17 -1.21 0.14 115.15 118.11 1uaa h HIS 334 Ca -0.07 0.03 0.13 0.00 0.71 0.00 0.00 60.37 61.17 1uaa h HIS 334 Cb 0.68 0.27 -0.13 0.00 2.52 0.00 0.00 27.41 30.76 1uaa h HIS 334 CO -0.08 -0.13 -0.33 1.25 0.71 0.00 0.00 177.93 179.34 1uaa h HIS 335 N -0.05 -0.91 0.77 5.26 6.17 -1.01 0.64 115.15 126.01 1uaa h HIS 335 Ca 0.04 0.08 -0.03 0.00 0.71 0.00 0.00 60.37 61.17 1uaa h HIS 335 Cb 0.15 0.51 -0.00 0.00 2.52 0.00 0.00 27.41 30.59 1uaa h HIS 335 CO -0.83 -0.38 -0.46 0.35 0.71 0.00 0.00 177.93 177.32 1uaa h PHE 336 N -0.10 -1.23 -0.81 5.26 3.57 0.20 -1.05 116.94 122.79 1uaa h PHE 336 Ca 0.28 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.87 1uaa h PHE 336 Cb 0.57 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 1uaa h PHE 336 CO -0.71 -0.69 0.53 0.28 -2.23 0.00 0.00 178.31 175.49 1uaa h VAL 337 N -1.15 0.95 -0.58 1.41 2.07 0.19 -1.87 116.25 117.27 1uaa h VAL 337 Ca -0.10 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1uaa h VAL 337 Cb 0.91 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1uaa h VAL 337 CO 0.11 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.43 1uaa n ASN 338 N -4.51 5.12 -3.89 0.57 3.02 0.19 -4.98 115.26 110.79 1uaa n ASN 338 Ca 0.14 -2.69 -0.27 0.00 -0.03 0.00 0.00 54.58 51.73 1uaa n ASN 338 Cb 0.32 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1uaa n ASN 338 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uaa n LYS 339 N 0.81 -0.75 0.00 3.52 4.76 -0.42 -4.96 118.16 121.13 1uaa n LYS 339 Ca 0.26 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1uaa n LYS 339 Cb 1.03 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1uaa n LYS 339 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1uaa n THR 340 N -3.74 0.00 -4.61 -0.18 -2.24 -1.23 -5.10 114.28 97.18 1uaa n THR 340 Ca -0.18 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 1uaa n THR 340 Cb 0.47 -0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1uaa n THR 340 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1uaa s GLN 341 N 3.48 1.18 0.61 -0.78 -0.21 -1.26 -5.01 119.66 117.68 1uaa s GLN 341 Ca 0.00 -0.67 0.26 0.00 0.02 0.00 0.00 55.36 54.97 1uaa s GLN 341 Cb 0.00 -1.18 1.19 0.00 1.00 0.00 0.00 33.01 34.02 1uaa s GLN 341 CO 0.00 0.31 1.62 1.88 -2.12 0.00 0.00 175.29 176.99 1uaa h TYR 342 N 5.38 0.00 -0.00 0.91 0.05 -1.89 1.18 116.97 122.59 1uaa h TYR 342 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1uaa h TYR 342 Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1uaa h TYR 342 CO 0.45 0.00 -0.44 0.36 -1.05 0.00 0.00 178.16 177.48 1uaa n LYS 343 N -3.34 0.23 0.03 4.88 2.85 -1.23 -1.24 118.16 120.34 1uaa n LYS 343 Ca 0.11 -0.13 0.11 0.00 -1.05 0.00 0.00 58.31 57.36 1uaa n LYS 343 Cb 0.95 -1.50 0.47 0.00 -0.65 0.00 0.00 35.03 34.31 1uaa n LYS 343 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1uaa n ASP 344 N -1.27 0.18 -4.83 -5.58 8.00 0.41 -4.71 116.55 108.75 1uaa n ASP 344 Ca 0.07 0.53 -0.33 0.00 0.71 0.00 0.00 54.79 55.77 1uaa n ASP 344 Cb 0.34 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1uaa n ASP 344 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uaa s TYR 345 N -3.05 3.39 -0.00 1.24 1.51 -1.17 -1.66 117.35 117.62 1uaa s TYR 345 Ca 0.10 0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1uaa s TYR 345 Cb 0.14 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1uaa s TYR 345 CO 0.44 0.59 0.02 0.00 -1.11 0.00 0.00 175.55 175.49 1uaa s ALA 346 N -1.22 -0.04 -0.19 3.71 0.00 -0.05 -0.59 121.76 123.37 1uaa s ALA 346 Ca 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1uaa s ALA 346 Cb -0.12 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1uaa s ALA 346 CO 0.15 -0.05 -0.13 0.42 0.00 0.00 0.00 175.76 176.14 1uaa s ILE 347 N -0.37 1.75 -0.03 0.00 1.01 0.12 -1.74 121.20 121.94 1uaa s ILE 347 Ca -0.04 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.70 1uaa s ILE 347 Cb -0.03 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1uaa s ILE 347 CO -0.00 0.29 -0.18 -0.76 0.00 0.00 0.00 174.94 174.29 1uaa s LEU 348 N 1.37 2.53 0.25 2.97 1.43 -0.93 -1.76 118.68 124.54 1uaa s LEU 348 Ca 0.01 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1uaa s LEU 348 Cb -0.15 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1uaa s LEU 348 CO -0.09 0.33 0.17 -0.72 0.23 0.00 0.00 176.35 176.27 1uaa s TYR 349 N -0.71 1.39 -0.10 0.29 -0.85 -1.15 -1.48 117.35 114.73 1uaa s TYR 349 Ca 0.11 -1.44 -0.03 0.00 -0.52 0.00 0.00 57.07 55.20 1uaa s TYR 349 Cb -0.10 -0.66 -0.01 0.00 0.38 0.00 0.00 41.96 41.56 1uaa s TYR 349 CO 0.00 -0.66 -0.06 -0.09 -1.52 0.00 0.00 175.55 173.23 1uaa h ARG 350 N 2.43 0.00 -6.59 -3.49 1.12 -1.89 -0.30 114.38 105.65 1uaa h ARG 350 Ca -0.33 0.00 -0.45 0.00 -1.11 0.00 0.00 59.98 58.09 1uaa h ARG 350 Cb 1.25 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 31.23 1uaa h ARG 350 CO 0.49 0.00 -0.17 0.20 -3.11 0.00 0.00 179.97 177.39 1uaa s GLY 351 N -3.59 1.59 0.46 2.80 0.00 -1.26 -4.72 107.32 102.60 1uaa s GLY 351 Ca -0.05 -1.20 0.26 0.00 0.00 0.00 0.00 44.72 43.73 1uaa s GLY 351 CO 0.07 -1.05 1.85 3.43 0.00 0.00 0.00 173.10 177.40 1uaa h ASN 352 N 0.53 0.00 0.05 1.64 2.35 -1.95 -3.23 115.58 114.97 1uaa h ASN 352 Ca -0.46 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.10 1uaa h ASN 352 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1uaa h ASN 352 CO 0.55 0.17 -0.71 1.12 -1.65 0.00 0.00 177.43 176.91 1uaa h HIS 353 N 0.00 0.79 0.00 1.19 2.07 -1.99 -2.93 115.15 114.27 1uaa h HIS 353 Ca -0.00 -0.33 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1uaa h HIS 353 Cb 0.72 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.57 1uaa h HIS 353 CO 0.00 1.12 0.40 1.96 -3.07 0.00 0.00 177.93 178.34 1uaa h GLN 354 N 0.42 0.00 0.08 5.12 4.20 -1.98 0.27 115.11 123.21 1uaa h GLN 354 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1uaa h GLN 354 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1uaa h GLN 354 CO 0.13 0.00 -0.04 0.66 -0.67 0.00 0.00 178.83 178.92 1uaa h SER 355 N 0.00 -0.09 -0.48 1.46 4.64 -1.73 -3.35 113.55 114.01 1uaa h SER 355 Ca 0.00 -0.49 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1uaa h SER 355 Cb 0.79 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.85 1uaa h SER 355 CO 0.00 0.49 -0.28 -1.14 -0.87 0.00 0.00 176.83 175.04 1uaa n ARG 356 N -4.86 -0.20 -0.02 4.77 3.00 0.08 -0.07 116.66 119.35 1uaa n ARG 356 Ca -0.08 0.72 0.01 0.00 -0.00 0.00 0.00 57.85 58.50 1uaa n ARG 356 Cb 0.29 -1.06 0.33 0.00 0.00 0.00 0.00 32.46 32.02 1uaa n ARG 356 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1uaa h VAL 357 N 0.00 1.17 -0.34 5.15 3.04 -1.72 -1.84 116.25 121.70 1uaa h VAL 357 Ca 0.08 -0.55 -0.09 0.00 -1.01 0.00 0.00 66.70 65.14 1uaa h VAL 357 Cb 0.20 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1uaa h VAL 357 CO -0.45 0.21 -0.13 -0.26 -1.01 0.00 0.00 177.57 175.93 1uaa h PHE 358 N 0.57 0.78 -1.15 3.17 0.04 -0.64 -0.45 116.94 119.27 1uaa h PHE 358 Ca 0.14 -0.18 0.32 0.00 2.80 0.00 0.00 57.97 61.04 1uaa h PHE 358 Cb 0.16 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.05 1uaa h PHE 358 CO 0.01 0.88 0.79 0.93 -0.60 0.00 0.00 178.31 180.31 1uaa h GLU 359 N 0.47 0.15 0.00 1.51 5.08 -0.34 0.11 114.58 121.55 1uaa h GLU 359 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1uaa h GLU 359 Cb 0.65 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1uaa h GLU 359 CO 0.04 0.10 0.00 1.17 -1.00 0.00 0.00 179.01 179.33 1uaa n LYS 360 N -4.39 0.00 -0.29 2.33 4.81 -0.19 -1.86 118.16 118.56 1uaa n LYS 360 Ca 0.26 0.05 -0.06 0.00 -0.87 0.00 0.00 58.31 57.70 1uaa n LYS 360 Cb 1.12 -0.97 -0.01 0.00 0.02 0.00 0.00 35.03 35.19 1uaa n LYS 360 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1uaa h PHE 361 N 0.00 -1.23 -0.84 5.64 -1.00 -1.18 1.55 116.94 119.89 1uaa h PHE 361 Ca 0.00 0.09 0.09 0.00 2.81 0.00 0.00 57.97 60.97 1uaa h PHE 361 Cb 0.00 0.65 -0.12 0.00 3.61 0.00 0.00 35.95 40.09 1uaa h PHE 361 CO 0.02 -0.40 -0.53 -0.07 -1.61 0.00 0.00 178.31 175.72 1uaa h LEU 362 N -0.11 -1.90 -0.17 1.54 3.38 -0.92 1.68 115.31 118.80 1uaa h LEU 362 Ca 0.24 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 1uaa h LEU 362 Cb 0.55 0.85 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1uaa h LEU 362 CO -0.82 -0.28 0.07 -0.03 0.09 0.00 0.00 178.44 177.46 1uaa h MET 363 N -0.10 0.26 0.00 1.13 4.05 0.26 -0.15 114.93 120.38 1uaa h MET 363 Ca 0.18 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1uaa h MET 363 Cb 0.49 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1uaa h MET 363 CO -0.85 0.35 0.07 1.04 0.23 0.00 0.00 176.91 177.74 1uaa n GLN 364 N -4.85 0.04 -1.13 0.39 6.02 0.51 -0.16 117.38 118.20 1uaa n GLN 364 Ca -0.04 0.50 -0.03 0.00 -0.01 0.00 0.00 57.00 57.42 1uaa n GLN 364 Cb 0.13 -1.71 0.14 0.00 1.02 0.00 0.00 30.24 29.81 1uaa n GLN 364 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uaa n ASN 365 N -1.70 2.54 -4.08 1.08 5.03 0.25 -4.96 115.26 113.43 1uaa n ASN 365 Ca -0.00 -3.66 -0.36 0.00 0.87 0.00 0.00 54.58 51.42 1uaa n ASN 365 Cb 0.08 -0.46 -0.07 0.00 -1.02 0.00 0.00 39.78 38.32 1uaa n ASN 365 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1uaa n ARG 366 N -0.87 -0.85 -3.52 3.52 0.00 0.77 -4.87 116.66 110.84 1uaa n ARG 366 Ca 0.25 0.12 -0.40 0.00 -0.00 0.00 0.00 57.85 57.82 1uaa n ARG 366 Cb 0.80 -4.13 -0.10 0.00 -0.00 0.00 0.00 32.46 29.03 1uaa n ARG 366 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uaa s ILE 367 N -2.91 5.27 0.72 8.89 -1.09 -0.18 -5.03 121.20 126.86 1uaa s ILE 367 Ca 0.70 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.97 1uaa s ILE 367 Cb -0.41 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1uaa s ILE 367 CO 0.86 0.06 1.16 -2.16 -1.23 0.00 0.00 174.94 173.63 1uaa s PRO 368 N 1.81 2.33 0.33 2.79 0.04 -1.26 -4.16 135.00 136.87 1uaa s PRO 368 Ca 0.08 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 1uaa s PRO 368 Cb -0.17 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.56 1uaa s PRO 368 CO 0.11 -1.65 0.88 2.48 0.04 0.00 0.00 177.00 178.85 1uaa n TYR 369 N -2.75 -2.04 -3.75 0.56 0.18 -1.26 -2.89 117.16 105.20 1uaa n TYR 369 Ca 0.12 -1.67 -0.13 0.00 1.88 0.00 0.00 57.90 58.10 1uaa n TYR 369 Cb 0.51 0.83 -0.14 0.00 -0.38 0.00 0.00 39.34 40.16 1uaa n TYR 369 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1uaa s LYS 370 N -2.08 0.14 -0.63 -3.48 -0.14 -1.02 -4.77 119.74 107.76 1uaa s LYS 370 Ca 0.18 0.40 -0.02 0.00 -1.36 0.00 0.00 55.97 55.17 1uaa s LYS 370 Cb -0.04 -0.12 0.31 0.00 -1.68 0.00 0.00 37.83 36.29 1uaa s LYS 370 CO 0.10 -0.14 2.17 -0.89 -0.76 0.00 0.00 175.35 175.83 1uaa n ILE 371 N 4.04 3.43 -0.15 2.17 2.08 -1.26 -1.71 119.36 127.97 1uaa n ILE 371 Ca -0.24 -3.19 -0.04 0.00 0.56 0.00 0.00 62.75 59.84 1uaa n ILE 371 Cb 0.53 -1.30 -0.03 0.00 -0.75 0.00 0.00 39.64 38.09 1uaa n ILE 371 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1uaa n SER 372 N -0.25 -0.37 -4.57 4.38 7.64 -1.17 -1.94 113.62 117.35 1uaa n SER 372 Ca 0.52 0.66 -0.37 0.00 1.01 0.00 0.00 58.87 60.69 1uaa n SER 372 Cb 0.49 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1uaa n SER 372 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uaa s GLY 373 N -2.93 0.97 0.00 0.23 0.00 -1.25 -4.81 107.32 99.52 1uaa s GLY 373 Ca -0.05 -2.24 0.00 0.00 0.00 0.00 0.00 44.72 42.43 1uaa s GLY 373 CO 0.24 2.99 0.00 0.61 0.00 0.00 0.00 173.10 176.94 1uaa n GLY 374 N 6.37 0.18 2.71 0.20 0.00 -0.82 -4.60 105.19 109.24 1uaa n GLY 374 Ca 0.40 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1uaa n GLY 374 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uaa s THR 375 N 0.00 0.30 -0.26 2.61 -1.32 -1.26 -4.93 115.64 110.79 1uaa s THR 375 Ca 0.00 -0.27 -0.38 0.00 -1.21 0.00 0.00 61.69 59.83 1uaa s THR 375 Cb 0.00 -0.77 -0.14 0.00 -1.51 0.00 0.00 72.50 70.08 1uaa s THR 375 CO 0.00 -0.12 1.90 -0.24 -2.21 0.00 0.00 174.62 173.95 1uaa n SER 376 N 5.14 2.56 -0.26 8.08 2.88 -1.26 -4.81 113.62 125.94 1uaa n SER 376 Ca -0.08 0.88 0.07 0.00 -1.33 0.00 0.00 58.87 58.42 1uaa n SER 376 Cb 0.48 -1.22 0.16 0.00 -0.75 0.00 0.00 64.21 62.88 1uaa n SER 376 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1uaa n PHE 377 N 6.82 0.36 0.39 0.66 -0.00 -1.26 0.12 117.46 124.55 1uaa n PHE 377 Ca 0.30 0.91 0.00 0.00 -0.00 0.00 0.00 57.45 58.66 1uaa n PHE 377 Cb 0.19 -0.99 0.02 0.00 -0.00 0.00 0.00 39.48 38.70 1uaa n PHE 377 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1uaa n PHE 378 N -5.14 0.00 -0.08 -5.13 3.72 -1.26 -2.01 117.46 107.56 1uaa n PHE 378 Ca 0.14 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 1uaa n PHE 378 Cb 0.46 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.93 1uaa n PHE 378 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1uaa n SER 379 N -0.56 2.16 -2.92 4.37 7.64 0.12 -4.65 113.62 119.78 1uaa n SER 379 Ca 0.01 0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.62 1uaa n SER 379 Cb 0.00 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 1uaa n SER 379 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1uaa n ARG 380 N -3.28 0.00 -0.10 1.43 1.74 -0.85 -4.15 116.66 111.46 1uaa n ARG 380 Ca -0.31 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1uaa n ARG 380 Cb 0.78 -0.98 0.01 0.00 -1.02 0.00 0.00 32.46 31.25 1uaa n ARG 380 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1uaa n PRO 381 N 5.45 -0.06 -0.32 5.56 -0.02 -1.26 0.19 135.00 144.55 1uaa n PRO 381 Ca 0.42 0.39 0.15 0.00 -2.02 0.00 0.00 63.50 62.44 1uaa n PRO 381 Cb 0.01 -0.58 0.34 0.00 -0.02 0.00 0.00 33.50 33.25 1uaa n PRO 381 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1uaa h GLU 382 N 0.00 0.49 0.00 -0.52 9.09 -1.89 0.39 114.58 122.13 1uaa h GLU 382 Ca 0.09 -0.03 -0.18 0.00 0.05 0.00 0.00 59.36 59.29 1uaa h GLU 382 Cb 0.15 -0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 27.12 1uaa h GLU 382 CO -0.25 0.32 -0.91 0.82 0.05 0.00 0.00 179.01 179.03 1uaa h ILE 383 N 0.50 1.32 -0.14 -1.06 1.08 0.19 -2.61 117.51 116.79 1uaa h ILE 383 Ca 0.60 -2.92 -0.01 0.00 -0.39 0.00 0.00 64.86 62.14 1uaa h ILE 383 Cb 1.13 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 37.51 1uaa h ILE 383 CO -0.50 0.75 0.03 0.50 -0.69 0.00 0.00 178.15 178.24 1uaa h LYS 384 N 0.00 0.22 0.08 2.37 3.11 0.36 -1.41 116.57 121.30 1uaa h LYS 384 Ca -0.04 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1uaa h LYS 384 Cb 1.66 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.86 1uaa h LYS 384 CO 0.10 0.40 -0.07 -0.44 -2.81 0.00 0.00 179.45 176.62 1uaa h ASP 385 N 0.01 -0.19 -0.98 4.20 3.32 -0.49 -0.98 116.42 121.32 1uaa h ASP 385 Ca 0.04 0.01 0.28 0.00 0.02 0.00 0.00 57.03 57.39 1uaa h ASP 385 Cb 0.28 0.06 -0.18 0.00 0.22 0.00 0.00 39.33 39.71 1uaa h ASP 385 CO 0.00 -0.10 0.09 0.25 -1.72 0.00 0.00 179.24 177.76 1uaa h LEU 386 N -0.15 -0.37 0.18 1.55 7.12 -1.54 0.50 115.31 122.59 1uaa h LEU 386 Ca -0.01 0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1uaa h LEU 386 Cb 0.13 0.45 -0.03 0.00 -0.53 0.00 0.00 40.66 40.67 1uaa h LEU 386 CO -0.00 -0.35 -0.44 0.25 -0.13 0.00 0.00 178.44 177.77 1uaa h LEU 387 N 0.02 -1.30 -0.88 2.25 5.85 -0.67 -2.50 115.31 118.08 1uaa h LEU 387 Ca 0.61 0.13 0.23 0.00 0.84 0.00 0.00 57.88 59.70 1uaa h LEU 387 Cb 1.30 0.47 -0.15 0.00 0.37 0.00 0.00 40.66 42.65 1uaa h LEU 387 CO -0.88 -0.49 0.13 0.00 -0.34 0.00 0.00 178.44 176.85 1uaa h ALA 388 N -0.79 1.15 0.33 1.25 0.00 0.13 0.29 119.26 121.63 1uaa h ALA 388 Ca -0.02 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1uaa h ALA 388 Cb 0.66 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1uaa h ALA 388 CO -0.20 -0.50 -0.50 1.88 0.00 0.00 0.00 179.25 179.93 1uaa h TYR 389 N 0.12 -1.42 -0.89 0.00 -1.99 -1.16 0.69 116.97 112.33 1uaa h TYR 389 Ca 0.54 0.02 0.19 0.00 2.00 0.00 0.00 58.73 61.48 1uaa h TYR 389 Cb 1.08 0.57 -0.11 0.00 2.00 0.00 0.00 36.73 40.27 1uaa h TYR 389 CO -0.36 -0.63 0.44 -0.07 -0.00 0.00 0.00 178.16 177.54 1uaa h LEU 390 N -0.88 0.47 -0.27 3.88 -0.00 -0.33 0.40 115.31 118.58 1uaa h LEU 390 Ca -0.03 0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1uaa h LEU 390 Cb 0.82 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 1uaa h LEU 390 CO -0.16 0.12 0.16 -0.09 -0.00 0.00 0.00 178.44 178.47 1uaa h ARG 391 N 0.54 0.38 0.17 1.13 2.43 0.93 -0.65 114.38 119.30 1uaa h ARG 391 Ca 0.53 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1uaa h ARG 391 Cb 0.89 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1uaa h ARG 391 CO -0.44 0.31 -0.20 0.28 -1.51 0.00 0.00 179.97 178.41 1uaa h VAL 392 N 0.33 0.00 -0.46 0.20 2.07 0.34 0.31 116.25 119.04 1uaa h VAL 392 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1uaa h VAL 392 Cb 0.04 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 1uaa h VAL 392 CO -0.02 0.00 -0.27 0.18 0.02 0.00 0.00 177.57 177.48 1uaa n LEU 393 N -3.53 -0.49 0.16 2.57 4.77 0.11 0.18 117.00 120.77 1uaa n LEU 393 Ca -0.04 1.26 0.17 0.00 -0.03 0.00 0.00 56.01 57.36 1uaa n LEU 393 Cb 0.18 -0.33 0.77 0.00 -2.33 0.00 0.00 43.42 41.71 1uaa n LEU 393 CO 0.09 -0.89 1.15 0.71 -1.33 0.00 0.00 177.39 177.12 1uaa h THR 394 N 0.00 0.60 -2.08 -5.08 1.35 -1.02 -3.34 112.91 103.33 1uaa h THR 394 Ca 0.07 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.56 1uaa h THR 394 Cb 0.19 0.83 -0.33 0.00 -1.73 0.00 0.00 68.15 67.11 1uaa h THR 394 CO -0.43 0.00 -0.68 0.20 -0.25 0.00 0.00 175.52 174.36 1uaa s ASN 395 N -6.04 1.53 0.00 5.36 -0.87 0.49 -4.99 114.94 110.41 1uaa s ASN 395 Ca -0.05 -1.30 0.00 0.00 -1.57 0.00 0.00 52.86 49.94 1uaa s ASN 395 Cb 0.17 0.46 0.00 0.00 -0.02 0.00 0.00 41.25 41.85 1uaa s ASN 395 CO 0.61 -0.32 0.41 -2.65 -2.57 0.00 0.00 177.10 172.59 1uaa n PRO 396 N 4.66 0.53 0.00 -0.60 -0.02 -0.77 -3.08 135.00 135.72 1uaa n PRO 396 Ca 0.06 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1uaa n PRO 396 Cb 0.45 -1.12 0.04 0.00 -0.02 0.00 0.00 33.50 32.85 1uaa n PRO 396 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1uaa n ASP 397 N -0.17 1.92 -3.98 2.55 9.92 -1.26 -4.47 116.55 121.06 1uaa n ASP 397 Ca 0.00 -1.46 -0.43 0.00 -0.53 0.00 0.00 54.79 52.37 1uaa n ASP 397 Cb 0.06 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1uaa n ASP 397 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1uaa n ASP 398 N 0.48 5.03 -0.39 -2.24 5.68 -1.18 -4.83 116.55 119.10 1uaa n ASP 398 Ca 0.07 -3.07 0.33 0.00 -0.50 0.00 0.00 54.79 51.63 1uaa n ASP 398 Cb 0.32 -1.51 0.65 0.00 -1.14 0.00 0.00 41.12 39.44 1uaa n ASP 398 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1uaa h ASP 399 N 6.05 0.21 -0.32 -1.12 3.32 -1.91 0.17 116.42 122.82 1uaa h ASP 399 Ca 0.39 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.54 1uaa h ASP 399 Cb 0.68 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 1uaa h ASP 399 CO 1.57 -0.02 -0.36 0.77 -1.72 0.00 0.00 179.24 179.49 1uaa h SER 400 N 0.15 -1.21 0.14 6.45 4.64 -1.99 0.71 113.55 122.44 1uaa h SER 400 Ca 0.68 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 62.15 1uaa h SER 400 Cb 2.24 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 64.83 1uaa h SER 400 CO -0.21 -0.23 -0.07 0.00 -0.87 0.00 0.00 176.83 175.45 1uaa h ALA 401 N -0.43 -0.18 0.28 5.18 0.00 -1.00 -2.27 119.26 120.84 1uaa h ALA 401 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uaa h ALA 401 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1uaa h ALA 401 CO -0.42 -0.60 -0.19 0.35 0.00 0.00 0.00 179.25 178.40 1uaa h PHE 402 N -0.19 -0.48 -1.09 0.00 3.57 -1.11 0.32 116.94 117.96 1uaa h PHE 402 Ca -0.02 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.82 1uaa h PHE 402 Cb 0.15 0.18 -0.14 0.00 2.79 0.00 0.00 35.95 38.92 1uaa h PHE 402 CO -0.07 -0.29 0.65 1.25 -2.23 0.00 0.00 178.31 177.63 1uaa h LEU 403 N -0.46 0.43 0.17 0.59 6.46 0.48 0.77 115.31 123.76 1uaa h LEU 403 Ca -0.02 0.16 -0.25 0.00 -0.12 0.00 0.00 57.88 57.65 1uaa h LEU 403 Cb 0.39 0.12 0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1uaa h LEU 403 CO 0.02 -0.12 -1.09 0.03 -0.62 0.00 0.00 178.44 176.66 1uaa h ARG 404 N 0.27 0.43 0.00 1.25 2.47 -0.52 -3.34 114.38 114.93 1uaa h ARG 404 Ca 0.74 -0.70 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1uaa h ARG 404 Cb 1.89 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 30.46 1uaa h ARG 404 CO -0.52 1.32 -0.33 0.44 0.56 0.00 0.00 179.97 181.45 1uaa n ILE 405 N -3.95 0.10 0.00 2.04 -5.35 0.97 -3.98 119.36 109.19 1uaa n ILE 405 Ca -0.15 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1uaa n ILE 405 Cb 0.93 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1uaa n ILE 405 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1uaa n VAL 406 N -1.65 0.00 0.21 7.28 0.24 0.24 -3.55 118.33 121.11 1uaa n VAL 406 Ca 0.06 0.49 0.08 0.00 -2.04 0.00 0.00 64.34 62.92 1uaa n VAL 406 Cb 0.36 -0.74 -0.11 0.00 -1.47 0.00 0.00 33.84 31.88 1uaa n VAL 406 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1uaa n ASN 407 N -0.70 1.20 -0.25 -1.34 5.15 -1.26 -4.64 115.26 113.41 1uaa n ASN 407 Ca 0.00 -0.26 0.05 0.00 -0.60 0.00 0.00 54.58 53.77 1uaa n ASN 407 Cb 0.00 1.50 0.16 0.00 -0.53 0.00 0.00 39.78 40.91 1uaa n ASN 407 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1uaa h THR 408 N 0.00 0.37 0.00 -0.44 2.02 -1.69 3.38 112.91 116.56 1uaa h THR 408 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1uaa h THR 408 Cb 0.61 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1uaa h THR 408 CO 0.00 0.02 0.00 -0.81 0.37 0.00 0.00 175.52 175.10 1uaa n PRO 409 N -5.31 0.00 0.00 6.66 -0.05 -1.26 -4.83 135.00 130.21 1uaa n PRO 409 Ca 0.13 0.38 0.00 0.00 -0.05 0.00 0.00 63.50 63.96 1uaa n PRO 409 Cb 0.47 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.42 1uaa n PRO 409 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1uaa n LYS 410 N -1.38 0.00 0.00 0.54 4.81 1.12 -4.87 118.16 118.37 1uaa n LYS 410 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1uaa n LYS 410 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1uaa n LYS 410 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1uaa n ARG 411 N 0.00 3.59 -1.27 1.64 0.00 -0.92 -5.06 116.66 114.64 1uaa n ARG 411 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1uaa n ARG 411 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 32.46 32.56 1uaa n ARG 411 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1uaa n GLU 412 N 0.00 0.94 -2.65 2.89 0.28 -1.26 -4.99 120.64 115.85 1uaa n GLU 412 Ca 0.00 -2.73 -0.42 0.00 -0.16 0.00 0.00 57.16 53.84 1uaa n GLU 412 Cb 0.00 -0.87 -0.02 0.00 1.43 0.00 0.00 31.44 31.99 1uaa n GLU 412 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1uaa s ILE 413 N -1.77 4.20 1.09 3.84 1.09 -1.26 -4.79 121.20 123.59 1uaa s ILE 413 Ca 0.36 -1.47 -0.17 0.00 -1.10 0.00 0.00 60.65 58.27 1uaa s ILE 413 Cb 0.38 -5.06 0.10 0.00 -1.06 0.00 0.00 42.46 36.82 1uaa s ILE 413 CO -0.11 -1.89 0.13 0.61 -0.10 0.00 0.00 174.94 173.58 1uaa n GLY 414 N 5.90 -2.38 0.25 6.18 0.00 -1.26 -4.71 105.19 109.17 1uaa n GLY 414 Ca 0.38 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1uaa n GLY 414 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uaa h PRO 415 N -2.00 0.03 0.42 1.61 0.13 -1.97 -1.60 132.00 128.62 1uaa h PRO 415 Ca -0.52 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1uaa h PRO 415 Cb 1.34 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1uaa h PRO 415 CO 0.38 0.08 -0.20 0.00 -0.23 0.00 0.00 178.00 178.03 1uaa h ALA 416 N 1.93 -0.88 0.00 -0.56 0.00 -1.97 1.90 119.26 119.68 1uaa h ALA 416 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uaa h ALA 416 Cb 0.10 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uaa h ALA 416 CO 0.01 -0.84 0.22 1.79 0.00 0.00 0.00 179.25 180.43 1uaa h THR 417 N -0.72 0.00 0.03 0.00 1.35 -1.83 0.45 112.91 112.20 1uaa h THR 417 Ca -0.06 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.43 1uaa h THR 417 Cb 0.43 0.40 -0.05 0.00 -1.73 0.00 0.00 68.15 67.20 1uaa h THR 417 CO 0.09 0.00 -2.14 -0.11 -0.25 0.00 0.00 175.52 173.12 1uaa n LEU 418 N -2.23 2.37 0.18 3.87 7.94 -0.63 -3.59 117.00 124.92 1uaa n LEU 418 Ca -0.01 0.20 0.04 0.00 -1.11 0.00 0.00 56.01 55.13 1uaa n LEU 418 Cb 0.24 -0.94 0.35 0.00 0.53 0.00 0.00 43.42 43.60 1uaa n LEU 418 CO 0.08 0.67 0.68 0.50 -1.11 0.00 0.00 177.39 178.21 1uaa h LYS 419 N -0.49 0.00 -0.01 1.96 3.11 0.58 -0.81 116.57 120.91 1uaa h LYS 419 Ca -0.53 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.10 1uaa h LYS 419 Cb 1.72 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.95 1uaa h LYS 419 CO -0.18 0.40 -0.89 0.87 -2.81 0.00 0.00 179.45 176.84 1uaa h LYS 420 N 0.00 0.32 -0.21 1.90 1.57 -0.46 0.51 116.57 120.20 1uaa h LYS 420 Ca -0.00 -0.33 -0.21 0.00 -1.87 0.00 0.00 60.65 58.24 1uaa h LYS 420 Cb 0.83 0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1uaa h LYS 420 CO 0.05 1.02 -0.68 1.25 -0.57 0.00 0.00 179.45 180.53 1uaa h LEU 421 N 0.18 0.93 0.11 2.94 7.12 -1.58 -1.20 115.31 123.82 1uaa h LEU 421 Ca -0.06 -0.56 -0.01 0.00 0.13 0.00 0.00 57.88 57.38 1uaa h LEU 421 Cb 1.51 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1uaa h LEU 421 CO 0.15 1.36 -0.05 1.23 -0.13 0.00 0.00 178.44 180.99 1uaa h GLY 422 N 0.66 -0.16 1.33 3.75 0.00 -1.08 0.86 103.07 108.44 1uaa h GLY 422 Ca -0.02 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1uaa h GLY 422 CO 0.14 -0.06 0.33 0.83 0.00 0.00 0.00 176.54 177.79 1uaa h GLU 423 N -0.28 0.47 0.06 4.80 4.39 0.09 0.95 114.58 125.07 1uaa h GLU 423 Ca -0.02 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.37 1uaa h GLU 423 Cb 0.23 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1uaa h GLU 423 CO 0.03 0.31 -1.53 2.35 -1.16 0.00 0.00 179.01 179.01 1uaa h TRP 424 N 0.49 0.24 -0.68 4.33 -0.00 -0.99 -3.13 115.95 116.21 1uaa h TRP 424 Ca 0.21 -0.18 -0.08 0.00 -0.00 0.00 0.00 58.89 58.85 1uaa h TRP 424 Cb 0.22 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 1uaa h TRP 424 CO -0.00 1.24 0.12 0.00 -0.00 0.00 0.00 178.44 179.80 1uaa h ALA 425 N 0.70 0.92 -0.45 2.65 0.00 0.16 -1.59 119.26 121.64 1uaa h ALA 425 Ca -0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1uaa h ALA 425 Cb 1.97 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1uaa h ALA 425 CO 0.13 0.67 0.27 0.52 0.00 0.00 0.00 179.25 180.84 1uaa h MET 426 N 1.05 0.62 0.00 0.00 2.86 0.84 -0.55 114.93 119.75 1uaa h MET 426 Ca 0.21 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1uaa h MET 426 Cb 0.43 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1uaa h MET 426 CO 0.01 0.45 -0.40 1.79 1.06 0.00 0.00 176.91 179.82 1uaa h THR 427 N 0.60 0.01 -0.18 2.22 1.35 -1.52 -3.08 112.91 112.32 1uaa h THR 427 Ca 0.16 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1uaa h THR 427 Cb -0.01 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1uaa h THR 427 CO -0.03 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.78 1uaa n ARG 428 N -2.94 1.77 -3.27 4.72 1.74 -0.60 -5.00 116.66 113.08 1uaa n ARG 428 Ca 0.02 -1.15 -0.20 0.00 -0.77 0.00 0.00 57.85 55.75 1uaa n ARG 428 Cb 0.54 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1uaa n ARG 428 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1uaa n ASN 429 N 0.38 -6.33 -0.76 0.55 3.02 -0.27 -5.02 115.26 106.84 1uaa n ASN 429 Ca 0.16 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1uaa n ASN 429 Cb 0.34 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 1uaa n ASN 429 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1uaa n LYS 430 N 0.36 0.00 -2.99 3.52 0.00 -0.87 -5.03 118.16 113.15 1uaa n LYS 430 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.01 1uaa n LYS 430 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.56 1uaa n LYS 430 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uaa s SER 431 N -0.27 6.37 0.06 -5.58 0.15 -1.26 -4.66 113.70 108.51 1uaa s SER 431 Ca 0.00 0.83 -0.35 0.00 0.70 0.00 0.00 55.95 57.13 1uaa s SER 431 Cb 0.00 -2.20 -0.20 0.00 -1.71 0.00 0.00 66.02 61.91 1uaa s SER 431 CO 0.00 -0.40 1.54 0.24 1.20 0.00 0.00 173.24 175.82 1uaa h MET 432 N 0.89 -1.15 -1.01 5.44 2.86 -1.91 0.12 114.93 120.17 1uaa h MET 432 Ca -0.48 0.08 0.20 0.00 -2.06 0.00 0.00 59.70 57.45 1uaa h MET 432 Cb 1.20 0.26 -0.11 0.00 0.06 0.00 0.00 31.60 33.01 1uaa h MET 432 CO 0.63 -0.76 0.61 0.35 1.06 0.00 0.00 176.91 178.80 1uaa h PHE 433 N -1.22 1.06 0.32 -0.22 3.57 -1.96 2.00 116.94 120.49 1uaa h PHE 433 Ca -0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1uaa h PHE 433 Cb 0.91 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1uaa h PHE 433 CO -0.01 0.19 -0.15 1.79 -2.23 0.00 0.00 178.31 177.90 1uaa h THR 434 N 0.72 0.62 0.00 4.41 1.35 -1.76 -3.07 112.91 115.17 1uaa h THR 434 Ca 0.60 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1uaa h THR 434 Cb 0.98 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1uaa h THR 434 CO -0.41 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 174.98 1uaa h ALA 435 N -0.39 1.00 0.00 6.62 0.00 0.10 -1.11 119.26 125.48 1uaa h ALA 435 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uaa h ALA 435 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uaa h ALA 435 CO 0.07 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1uaa n SER 436 N -2.93 0.23 0.00 0.00 3.41 0.66 -2.37 113.62 112.61 1uaa n SER 436 Ca -0.01 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1uaa n SER 436 Cb 0.15 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1uaa n SER 436 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1uaa n PHE 437 N -0.24 0.00 -1.69 7.33 3.01 -0.42 -4.75 117.46 120.70 1uaa n PHE 437 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 1uaa n PHE 437 Cb 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 1uaa n PHE 437 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1uaa n ASP 438 N -0.88 3.81 0.07 4.37 8.00 -1.00 -4.86 116.55 126.07 1uaa n ASP 438 Ca 0.00 1.01 0.08 0.00 0.71 0.00 0.00 54.79 56.59 1uaa n ASP 438 Cb 0.01 -1.51 0.35 0.00 -0.02 0.00 0.00 41.12 39.96 1uaa n ASP 438 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1uaa n MET 439 N 5.11 0.09 0.15 -1.24 2.81 -1.26 -1.57 117.12 121.20 1uaa n MET 439 Ca 0.18 0.44 0.12 0.00 -1.81 0.00 0.00 57.70 56.63 1uaa n MET 439 Cb 0.35 -1.71 0.23 0.00 -0.71 0.00 0.00 33.22 31.38 1uaa n MET 439 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1uaa h GLY 440 N 1.33 0.00 2.00 3.03 0.00 -1.96 -3.20 103.07 104.28 1uaa h GLY 440 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1uaa h GLY 440 CO 0.00 0.00 -0.48 -2.00 0.00 0.00 0.00 176.54 174.06 1uaa h LEU 441 N 0.00 0.00 -0.96 3.11 7.12 -1.61 -3.36 115.31 119.61 1uaa h LEU 441 Ca 0.00 0.00 0.30 0.00 0.13 0.00 0.00 57.88 58.31 1uaa h LEU 441 Cb 0.88 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 40.85 1uaa h LEU 441 CO 0.00 0.48 0.39 -1.28 -0.13 0.00 0.00 178.44 177.90 1uaa h SER 442 N 0.00 0.19 -0.02 1.25 0.87 -1.64 -2.05 113.55 112.15 1uaa h SER 442 Ca -0.00 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1uaa h SER 442 Cb 1.24 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1uaa h SER 442 CO 0.06 -0.22 -0.09 1.67 -0.53 0.00 0.00 176.83 177.72 1uaa n GLN 443 N -5.20 1.60 0.08 2.24 -0.06 -1.26 -3.82 117.38 110.96 1uaa n GLN 443 Ca 0.28 -1.43 -0.09 0.00 -2.00 0.00 0.00 57.00 53.76 1uaa n GLN 443 Cb 0.91 -1.35 0.01 0.00 -4.06 0.00 0.00 30.24 25.74 1uaa n GLN 443 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1uaa h THR 444 N 3.26 1.44 -3.13 1.69 2.02 -1.56 -3.43 112.91 113.20 1uaa h THR 444 Ca 0.00 -2.41 -0.20 0.00 0.77 0.00 0.00 66.41 64.57 1uaa h THR 444 Cb 0.74 2.33 -0.29 0.00 -1.74 0.00 0.00 68.15 69.19 1uaa h THR 444 CO 0.00 0.71 -0.50 -1.48 0.37 0.00 0.00 175.52 174.62 1uaa s LEU 445 N -7.65 0.71 0.00 2.58 0.05 -1.05 -5.06 118.68 108.27 1uaa s LEU 445 Ca -0.04 0.45 0.00 0.00 0.05 0.00 0.00 54.13 54.59 1uaa s LEU 445 Cb 0.10 0.67 0.00 0.00 -2.05 0.00 0.00 46.19 44.91 1uaa s LEU 445 CO 0.83 -0.13 0.00 -0.24 -0.55 0.00 0.00 176.35 176.26 1uaa n SER 446 N 3.83 0.00 0.00 1.48 2.88 -1.25 -4.45 113.62 116.11 1uaa n SER 446 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1uaa n SER 446 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1uaa n SER 446 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uaa n GLY 447 N 0.00 0.60 0.07 0.46 0.00 -1.26 -3.85 105.19 101.21 1uaa n GLY 447 Ca 0.00 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.85 1uaa n GLY 447 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uaa n ARG 448 N 5.72 0.40 0.02 1.61 1.74 -1.26 -3.91 116.66 120.98 1uaa n ARG 448 Ca 0.00 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1uaa n ARG 448 Cb 0.00 -1.71 0.03 0.00 -1.02 0.00 0.00 32.46 29.76 1uaa n ARG 448 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1uaa h GLY 449 N 4.34 0.58 0.63 -0.13 0.00 -1.87 -2.37 103.07 104.24 1uaa h GLY 449 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1uaa h GLY 449 CO 0.00 0.67 -0.02 2.98 0.00 0.00 0.00 176.54 180.17 1uaa n TYR 450 N -3.90 0.00 1.02 5.60 4.19 -1.25 -2.12 117.16 120.69 1uaa n TYR 450 Ca -0.04 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.28 1uaa n TYR 450 Cb 0.67 -0.05 -0.01 0.00 0.49 0.00 0.00 39.34 40.43 1uaa n TYR 450 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1uaa n GLU 451 N -0.70 0.47 -0.01 2.98 2.13 -0.92 -3.65 120.64 120.94 1uaa n GLU 451 Ca 0.20 -0.38 -0.02 0.00 0.66 0.00 0.00 57.16 57.63 1uaa n GLU 451 Cb 0.21 -1.49 -0.01 0.00 0.27 0.00 0.00 31.44 30.42 1uaa n GLU 451 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uaa n ALA 452 N -0.93 1.94 -0.21 4.31 0.00 -1.04 -4.52 120.51 120.05 1uaa n ALA 452 Ca 0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1uaa n ALA 452 Cb 0.38 0.34 0.03 0.00 0.00 0.00 0.00 19.45 20.19 1uaa n ALA 452 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uaa h LEU 453 N 0.00 0.84 0.09 0.00 6.46 -1.62 -0.21 115.31 120.86 1uaa h LEU 453 Ca -0.06 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1uaa h LEU 453 Cb 1.11 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1uaa h LEU 453 CO -0.00 0.81 -0.05 0.71 -0.62 0.00 0.00 178.44 179.28 1uaa h THR 454 N 0.83 0.00 -0.75 1.05 1.35 -1.82 -0.76 112.91 112.81 1uaa h THR 454 Ca 0.19 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.14 1uaa h THR 454 Cb 0.25 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.57 1uaa h THR 454 CO -0.01 0.00 -0.40 -1.14 -0.25 0.00 0.00 175.52 173.72 1uaa n ARG 455 N -2.39 -0.29 0.24 4.72 0.63 -1.18 0.31 116.66 118.70 1uaa n ARG 455 Ca -0.02 1.14 -0.10 0.00 -0.92 0.00 0.00 57.85 57.96 1uaa n ARG 455 Cb 0.05 -1.68 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 1uaa n ARG 455 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1uaa h PHE 456 N 0.00 -0.58 -0.27 -0.14 3.57 -1.08 0.26 116.94 118.71 1uaa h PHE 456 Ca 0.16 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1uaa h PHE 456 Cb 0.35 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1uaa h PHE 456 CO -0.74 -0.36 0.68 1.15 -2.23 0.00 0.00 178.31 176.81 1uaa h THR 457 N -0.67 0.08 0.12 4.41 2.02 -0.05 0.43 112.91 119.26 1uaa h THR 457 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1uaa h THR 457 Cb 0.48 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1uaa h THR 457 CO 0.10 0.00 -0.06 -0.74 0.37 0.00 0.00 175.52 175.20 1uaa h HIS 458 N 0.00 -0.15 -1.21 3.16 -0.00 0.24 -2.89 115.15 114.30 1uaa h HIS 458 Ca 0.13 -0.00 0.41 0.00 -0.00 0.00 0.00 60.37 60.90 1uaa h HIS 458 Cb 1.49 0.05 -0.14 0.00 -0.00 0.00 0.00 27.41 28.81 1uaa h HIS 458 CO 0.00 -0.09 0.76 2.35 -0.00 0.00 0.00 177.93 180.94 1uaa h TRP 459 N -0.64 0.63 0.41 5.26 7.01 0.19 0.80 115.95 129.61 1uaa h TRP 459 Ca -0.02 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1uaa h TRP 459 Cb 0.12 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1uaa h TRP 459 CO 0.02 -0.23 -0.20 -0.07 -2.79 0.00 0.00 178.44 175.17 1uaa h LEU 460 N 0.12 -0.46 -1.03 0.65 3.38 -1.24 -3.15 115.31 113.58 1uaa h LEU 460 Ca 0.80 0.02 0.21 0.00 0.09 0.00 0.00 57.88 59.00 1uaa h LEU 460 Cb 2.35 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 43.10 1uaa h LEU 460 CO -0.49 -0.06 0.61 0.00 0.09 0.00 0.00 178.44 178.59 1uaa h ALA 461 N -1.21 1.75 0.00 1.53 0.00 -0.67 0.96 119.26 121.62 1uaa h ALA 461 Ca -0.06 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1uaa h ALA 461 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uaa h ALA 461 CO 0.09 -0.16 -0.25 1.05 0.00 0.00 0.00 179.25 179.98 1uaa h GLU 462 N 0.68 0.00 0.07 0.00 9.09 -1.35 0.43 114.58 123.50 1uaa h GLU 462 Ca 0.60 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.82 1uaa h GLU 462 Cb 1.05 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 1uaa h GLU 462 CO -0.41 0.25 -1.02 0.97 0.05 0.00 0.00 179.01 178.85 1uaa h ILE 463 N 0.00 1.22 -0.61 -1.06 2.10 -0.01 -2.93 117.51 116.21 1uaa h ILE 463 Ca -0.00 -2.36 0.07 0.00 1.08 0.00 0.00 64.86 63.65 1uaa h ILE 463 Cb 0.74 2.80 -0.04 0.00 -1.09 0.00 0.00 36.82 39.23 1uaa h ILE 463 CO 0.03 0.60 0.41 0.06 -1.08 0.00 0.00 178.15 178.17 1uaa h GLN 464 N -0.61 0.54 0.20 2.19 3.07 0.81 0.33 115.11 121.65 1uaa h GLN 464 Ca -0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 1uaa h GLN 464 Cb 1.49 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.93 1uaa h GLN 464 CO -0.00 0.36 -0.12 0.00 0.09 0.00 0.00 178.83 179.16 1uaa h ARG 465 N 0.56 -0.28 -0.89 0.06 3.08 -0.21 -3.18 114.38 113.52 1uaa h ARG 465 Ca 0.27 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.51 1uaa h ARG 465 Cb 0.33 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.34 1uaa h ARG 465 CO -0.08 -0.19 0.45 1.25 -1.07 0.00 0.00 179.97 180.33 1uaa h LEU 466 N -0.29 0.52 -1.58 3.04 7.12 -0.75 0.21 115.31 123.58 1uaa h LEU 466 Ca -0.03 0.11 0.09 0.00 0.13 0.00 0.00 57.88 58.19 1uaa h LEU 466 Cb 0.23 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1uaa h LEU 466 CO 0.03 0.17 0.61 0.00 -0.13 0.00 0.00 178.44 179.12 1uaa h ALA 467 N 1.61 1.98 -0.03 1.25 0.00 -0.44 0.13 119.26 123.76 1uaa h ALA 467 Ca 0.51 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1uaa h ALA 467 Cb 0.80 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1uaa h ALA 467 CO -0.41 -0.77 0.28 0.93 0.00 0.00 0.00 179.25 179.27 1uaa h GLU 468 N 0.00 0.00 0.00 0.00 4.39 -0.58 -2.75 114.58 115.63 1uaa h GLU 468 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1uaa h GLU 468 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1uaa h GLU 468 CO -0.00 0.00 -0.23 0.54 -1.16 0.00 0.00 179.01 178.16 1uaa n ARG 469 N -3.01 1.08 -3.19 2.33 1.74 0.36 -4.91 116.66 111.06 1uaa n ARG 469 Ca -0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 1uaa n ARG 469 Cb 0.34 -0.62 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 1uaa n ARG 469 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uaa n GLU 470 N -0.83 2.44 -0.08 5.56 -0.58 -0.75 -4.97 120.64 121.42 1uaa n GLU 470 Ca 0.00 -4.45 -0.05 0.00 -0.42 0.00 0.00 57.16 52.24 1uaa n GLU 470 Cb 0.11 -2.08 -0.04 0.00 -0.57 0.00 0.00 31.44 28.87 1uaa n GLU 470 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1uaa h PRO 471 N 3.57 -0.11 -0.60 3.49 0.11 -1.70 0.46 132.00 137.23 1uaa h PRO 471 Ca 0.15 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1uaa h PRO 471 Cb 0.66 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.72 1uaa h PRO 471 CO 0.75 -0.07 -0.35 0.44 -0.21 0.00 0.00 178.00 178.56 1uaa n ILE 472 N -3.77 -0.41 0.11 4.15 -0.00 -1.26 0.10 119.36 118.28 1uaa n ILE 472 Ca -0.01 1.77 -0.16 0.00 -0.00 0.00 0.00 62.75 64.36 1uaa n ILE 472 Cb 0.12 -2.22 -0.09 0.00 -0.00 0.00 0.00 39.64 37.45 1uaa n ILE 472 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1uaa h ALA 473 N 0.09 -0.98 -0.47 -1.28 0.00 -1.70 1.39 119.26 116.30 1uaa h ALA 473 Ca 0.10 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1uaa h ALA 473 Cb 0.25 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1uaa h ALA 473 CO -0.56 -1.11 -0.48 0.00 0.00 0.00 0.00 179.25 177.10 1uaa h ALA 474 N -0.59 -0.52 -0.05 0.00 0.00 0.40 0.75 119.26 119.26 1uaa h ALA 474 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1uaa h ALA 474 Cb 0.73 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1uaa h ALA 474 CO -0.28 -0.92 -0.10 -0.24 0.00 0.00 0.00 179.25 177.71 1uaa h VAL 475 N -0.31 0.72 -1.02 0.00 3.04 0.17 0.97 116.25 119.82 1uaa h VAL 475 Ca 0.13 0.00 0.25 0.00 -1.01 0.00 0.00 66.70 66.07 1uaa h VAL 475 Cb 0.58 0.72 -0.11 0.00 -2.01 0.00 0.00 31.29 30.47 1uaa h VAL 475 CO -0.62 0.00 0.62 -0.09 -1.01 0.00 0.00 177.57 176.46 1uaa h ARG 476 N -0.16 0.53 0.03 4.17 2.43 0.54 1.15 114.38 123.06 1uaa h ARG 476 Ca 0.06 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 58.95 1uaa h ARG 476 Cb 0.23 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1uaa h ARG 476 CO -0.14 0.35 -1.03 -0.44 -1.51 0.00 0.00 179.97 177.20 1uaa h ASP 477 N 0.55 0.64 -0.65 -3.80 5.19 0.28 -2.86 116.42 115.76 1uaa h ASP 477 Ca 0.63 -0.54 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1uaa h ASP 477 Cb 1.28 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.55 1uaa h ASP 477 CO -0.42 1.35 0.43 0.25 -3.12 0.00 0.00 179.24 177.73 1uaa h LEU 478 N 0.25 0.61 0.00 1.55 5.85 0.89 0.15 115.31 124.61 1uaa h LEU 478 Ca -0.11 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1uaa h LEU 478 Cb 1.68 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1uaa h LEU 478 CO 0.18 0.40 0.00 -0.38 -0.34 0.00 0.00 178.44 178.31 1uaa n ILE 479 N -4.47 0.00 0.26 4.05 5.41 0.42 -3.71 119.36 121.31 1uaa n ILE 479 Ca 0.09 0.77 0.18 0.00 1.00 0.00 0.00 62.75 64.79 1uaa n ILE 479 Cb 0.19 -1.61 0.90 0.00 -0.71 0.00 0.00 39.64 38.42 1uaa n ILE 479 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1uaa h HIS 480 N 0.00 0.00 0.05 1.39 2.76 -1.55 -2.99 115.15 114.81 1uaa h HIS 480 Ca 0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1uaa h HIS 480 Cb 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1uaa h HIS 480 CO 0.00 0.00 -0.35 0.78 -1.30 0.00 0.00 177.93 177.06 1uaa h GLY 481 N 0.00 -1.20 0.57 5.26 0.00 -0.77 -2.19 103.07 104.74 1uaa h GLY 481 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1uaa h GLY 481 CO -0.00 -0.33 -0.02 1.15 0.00 0.00 0.00 176.54 177.34 1uaa n MET 482 N -4.45 1.12 -3.81 4.80 0.00 -1.15 -4.93 117.12 108.71 1uaa n MET 482 Ca -0.05 -0.32 -0.26 0.00 0.00 0.00 0.00 57.70 57.07 1uaa n MET 482 Cb 0.27 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 32.01 1uaa n MET 482 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1uaa n ASP 483 N -0.66 -1.89 -0.31 3.17 2.03 -0.83 -4.77 116.55 113.30 1uaa n ASP 483 Ca 0.21 -0.96 0.13 0.00 0.52 0.00 0.00 54.79 54.69 1uaa n ASP 483 Cb 0.22 -3.41 0.31 0.00 -0.72 0.00 0.00 41.12 37.51 1uaa n ASP 483 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1uaa h TYR 484 N -1.85 0.72 -0.49 -0.67 3.20 -1.85 0.10 116.97 116.12 1uaa h TYR 484 Ca -0.63 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.32 1uaa h TYR 484 Cb 1.37 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 1uaa h TYR 484 CO 0.44 -0.00 -0.35 1.49 -1.64 0.00 0.00 178.16 178.10 1uaa h GLU 485 N 0.45 -0.07 -0.41 1.82 4.81 -1.88 1.21 114.58 120.51 1uaa h GLU 485 Ca 0.56 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.84 1uaa h GLU 485 Cb 1.04 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1uaa h GLU 485 CO -0.50 -0.05 0.18 0.66 -0.73 0.00 0.00 179.01 178.57 1uaa h SER 486 N -0.08 0.24 -0.23 1.04 4.64 -1.22 -1.20 113.55 116.75 1uaa h SER 486 Ca 0.08 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1uaa h SER 486 Cb 0.28 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 1uaa h SER 486 CO -0.50 0.18 -0.25 -0.25 -0.87 0.00 0.00 176.83 175.13 1uaa h TRP 487 N 0.37 -0.68 0.21 4.77 2.91 0.11 -0.72 115.95 122.91 1uaa h TRP 487 Ca 0.18 0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.25 1uaa h TRP 487 Cb 0.13 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.07 1uaa h TRP 487 CO -0.12 -0.33 -0.39 -0.07 -1.03 0.00 0.00 178.44 176.50 1uaa h LEU 488 N -0.27 -1.11 -1.96 0.65 3.38 0.22 0.16 115.31 116.38 1uaa h LEU 488 Ca 0.13 0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.56 1uaa h LEU 488 Cb 0.47 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1uaa h LEU 488 CO -0.38 -0.49 0.84 1.88 0.09 0.00 0.00 178.44 180.38 1uaa h TYR 489 N -0.68 0.04 0.13 1.13 -1.99 -0.58 1.14 116.97 116.17 1uaa h TYR 489 Ca 0.01 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.43 1uaa h TYR 489 Cb 0.67 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.39 1uaa h TYR 489 CO -0.30 0.00 -1.55 1.05 -0.00 0.00 0.00 178.16 177.36 1uaa h GLU 490 N 0.02 0.28 0.15 4.88 4.11 0.52 -3.38 114.58 121.16 1uaa h GLU 490 Ca 0.57 -0.48 -0.33 0.00 0.07 0.00 0.00 59.36 59.18 1uaa h GLU 490 Cb 2.23 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.66 1uaa h GLU 490 CO -0.02 1.16 -1.65 1.79 0.07 0.00 0.00 179.01 180.36 1uaa h THR 491 N 0.08 1.03 -4.03 -1.06 1.35 0.28 -3.47 112.91 107.09 1uaa h THR 491 Ca -0.25 -2.65 -0.51 0.00 -0.55 0.00 0.00 66.41 62.44 1uaa h THR 491 Cb 2.03 2.75 0.08 0.00 -1.73 0.00 0.00 68.15 71.28 1uaa h THR 491 CO 0.17 0.83 0.49 -0.55 -0.25 0.00 0.00 175.52 176.21 1uaa s SER 492 N -7.11 5.90 0.00 5.36 0.15 0.34 -5.04 113.70 113.29 1uaa s SER 492 Ca -0.12 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.88 1uaa s SER 492 Cb 0.06 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1uaa s SER 492 CO 0.85 -1.11 0.00 -2.65 1.20 0.00 0.00 173.24 171.54 1uaa n PRO 493 N -0.78 0.00 -2.06 5.44 -0.02 -1.26 -4.77 135.00 131.54 1uaa n PRO 493 Ca 0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 1uaa n PRO 493 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.96 1uaa n PRO 493 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1uaa s SER 494 N -1.99 6.39 0.22 2.55 1.04 -1.26 -4.88 113.70 115.76 1uaa s SER 494 Ca 0.00 2.66 -0.09 0.00 0.48 0.00 0.00 55.95 59.00 1uaa s SER 494 Cb 0.00 -2.64 0.32 0.00 0.10 0.00 0.00 66.02 63.80 1uaa s SER 494 CO 0.00 -0.80 1.70 1.55 0.98 0.00 0.00 173.24 176.67 1uaa h PRO 495 N 2.79 0.23 -1.57 4.02 0.13 -1.90 0.17 132.00 135.88 1uaa h PRO 495 Ca -0.49 -0.01 0.46 0.00 -0.87 0.00 0.00 66.00 65.08 1uaa h PRO 495 Cb 1.24 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1uaa h PRO 495 CO 0.63 0.15 1.12 -0.22 -0.23 0.00 0.00 178.00 179.45 1uaa h LYS 496 N 0.24 0.02 0.01 0.86 3.64 -1.95 2.52 116.57 121.91 1uaa h LYS 496 Ca 0.33 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1uaa h LYS 496 Cb 0.51 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1uaa h LYS 496 CO -0.44 0.02 -0.26 0.00 -2.27 0.00 0.00 179.45 176.50 1uaa h ALA 497 N 1.25 0.02 -0.77 5.00 0.00 -1.02 -1.41 119.26 122.34 1uaa h ALA 497 Ca 0.78 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1uaa h ALA 497 Cb 2.99 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.76 1uaa h ALA 497 CO -0.07 0.10 0.50 0.00 0.00 0.00 0.00 179.25 179.78 1uaa h ALA 498 N 0.23 1.44 0.11 0.00 0.00 0.41 1.30 119.26 122.75 1uaa h ALA 498 Ca -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1uaa h ALA 498 Cb 1.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1uaa h ALA 498 CO 0.05 0.52 -0.14 1.49 0.00 0.00 0.00 179.25 181.17 1uaa h GLU 499 N 1.05 -0.28 -0.11 0.00 4.81 0.66 0.12 114.58 120.82 1uaa h GLU 499 Ca 0.28 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1uaa h GLU 499 Cb -0.11 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1uaa h GLU 499 CO -0.06 -0.19 -0.01 0.00 -0.73 0.00 0.00 179.01 178.02 1uaa h MET 500 N -0.30 0.20 -1.10 1.92 -0.00 -0.37 0.21 114.93 115.49 1uaa h MET 500 Ca 0.01 -0.07 0.31 0.00 -0.00 0.00 0.00 59.70 59.96 1uaa h MET 500 Cb 0.30 -0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 31.83 1uaa h MET 500 CO -0.06 0.47 0.78 -0.09 -0.00 0.00 0.00 176.91 178.01 1uaa h ARG 501 N -0.08 0.05 0.00 -0.10 2.43 0.19 0.59 114.38 117.46 1uaa h ARG 501 Ca 0.03 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1uaa h ARG 501 Cb 0.38 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1uaa h ARG 501 CO 0.01 0.04 -0.12 1.98 -1.51 0.00 0.00 179.97 180.36 1uaa h MET 502 N 0.06 0.00 -0.92 0.20 4.05 -0.31 -3.16 114.93 114.84 1uaa h MET 502 Ca 0.54 0.00 0.25 0.00 -0.28 0.00 0.00 59.70 60.20 1uaa h MET 502 Cb 2.04 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 32.67 1uaa h MET 502 CO -0.05 0.68 0.06 -0.22 0.23 0.00 0.00 176.91 177.62 1uaa h LYS 503 N -1.00 0.06 -0.13 0.39 3.11 0.32 0.72 116.57 120.04 1uaa h LYS 503 Ca -0.03 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.85 1uaa h LYS 503 Cb 0.72 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.89 1uaa h LYS 503 CO -0.02 0.04 -0.16 -0.91 -2.81 0.00 0.00 179.45 175.59 1uaa h ASN 504 N 0.06 -0.50 -0.97 4.20 2.35 -0.62 -0.89 115.58 119.21 1uaa h ASN 504 Ca 0.56 0.09 0.15 0.00 -0.55 0.00 0.00 56.30 56.55 1uaa h ASN 504 Cb 1.12 0.24 -0.09 0.00 0.05 0.00 0.00 38.32 39.65 1uaa h ASN 504 CO -0.83 -0.21 0.61 0.58 -1.65 0.00 0.00 177.43 175.94 1uaa h VAL 505 N -0.20 0.83 0.42 2.81 2.07 0.44 0.15 116.25 122.77 1uaa h VAL 505 Ca 0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1uaa h VAL 505 Cb 0.34 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1uaa h VAL 505 CO -0.25 0.15 -0.20 0.78 0.02 0.00 0.00 177.57 178.07 1uaa h ASN 506 N 0.83 -0.48 -0.96 0.57 4.21 0.11 -2.76 115.58 117.10 1uaa h ASN 506 Ca 0.51 -0.10 0.13 0.00 1.21 0.00 0.00 56.30 58.04 1uaa h ASN 506 Cb 0.69 0.12 -0.14 0.00 -1.12 0.00 0.00 38.32 37.87 1uaa h ASN 506 CO -0.28 -0.16 -0.45 1.67 -1.29 0.00 0.00 177.43 176.93 1uaa n GLN 507 N -5.23 -0.30 0.09 0.81 7.27 -0.40 0.46 117.38 120.08 1uaa n GLN 507 Ca -0.10 1.47 -0.15 0.00 0.07 0.00 0.00 57.00 58.29 1uaa n GLN 507 Cb 0.29 -2.18 -0.08 0.00 2.41 0.00 0.00 30.24 30.67 1uaa n GLN 507 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1uaa h LEU 508 N 0.00 -1.46 -0.22 1.69 5.85 -0.75 0.85 115.31 121.28 1uaa h LEU 508 Ca 0.27 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.21 1uaa h LEU 508 Cb 0.51 0.55 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1uaa h LEU 508 CO -0.94 -0.52 -0.31 0.15 -0.34 0.00 0.00 178.44 176.48 1uaa h PHE 509 N -0.67 -0.87 -0.92 1.25 3.04 -0.05 0.36 116.94 119.08 1uaa h PHE 509 Ca 0.02 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.11 1uaa h PHE 509 Cb 0.71 0.41 -0.07 0.00 2.56 0.00 0.00 35.95 39.57 1uaa h PHE 509 CO -0.44 -0.38 0.59 0.66 -2.02 0.00 0.00 178.31 176.72 1uaa h SER 510 N -0.34 0.83 0.29 0.41 4.64 0.10 0.70 113.55 120.18 1uaa h SER 510 Ca 0.12 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1uaa h SER 510 Cb 0.53 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1uaa h SER 510 CO -0.41 0.48 -0.14 -0.50 -0.87 0.00 0.00 176.83 175.39 1uaa h TRP 511 N 0.91 -0.36 -1.28 4.77 6.55 0.16 -0.02 115.95 126.69 1uaa h TRP 511 Ca 0.43 -0.01 0.45 0.00 0.95 0.00 0.00 58.89 60.71 1uaa h TRP 511 Cb 0.43 0.12 -0.13 0.00 -0.86 0.00 0.00 29.16 28.71 1uaa h TRP 511 CO -0.00 -0.22 0.81 -0.12 -1.05 0.00 0.00 178.44 177.86 1uaa n MET 512 N -3.04 -0.04 0.31 0.49 1.56 0.97 -0.08 117.12 117.30 1uaa n MET 512 Ca -0.05 1.19 -0.13 0.00 -0.27 0.00 0.00 57.70 58.44 1uaa n MET 512 Cb 0.15 -2.34 -0.07 0.00 2.15 0.00 0.00 33.22 33.12 1uaa n MET 512 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1uaa h THR 513 N 0.00 0.06 -1.07 1.12 2.02 0.15 -2.06 112.91 113.12 1uaa h THR 513 Ca 0.83 -0.38 0.33 0.00 0.77 0.00 0.00 66.41 67.96 1uaa h THR 513 Cb 2.65 0.09 -0.13 0.00 -1.74 0.00 0.00 68.15 69.01 1uaa h THR 513 CO -0.46 0.01 0.65 -0.33 0.37 0.00 0.00 175.52 175.76 1uaa h GLU 514 N -1.20 0.29 -0.33 6.66 5.08 0.14 0.66 114.58 125.88 1uaa h GLU 514 Ca -0.09 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1uaa h GLU 514 Cb 0.66 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1uaa h GLU 514 CO 0.14 0.19 -0.04 0.52 -1.00 0.00 0.00 179.01 178.82 1uaa h MET 515 N 0.30 0.62 -0.09 2.33 2.86 -1.34 0.12 114.93 119.74 1uaa h MET 515 Ca 0.72 -0.22 -0.14 0.00 -2.06 0.00 0.00 59.70 58.00 1uaa h MET 515 Cb 1.80 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.41 1uaa h MET 515 CO -0.50 0.77 -0.56 -0.07 1.06 0.00 0.00 176.91 177.61 1uaa h LEU 516 N 0.41 0.31 -0.95 1.22 3.38 0.20 -1.99 115.31 117.90 1uaa h LEU 516 Ca 0.09 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1uaa h LEU 516 Cb 0.52 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1uaa h LEU 516 CO 0.03 0.81 -0.51 -0.33 0.09 0.00 0.00 178.44 178.52 1uaa h GLU 517 N 0.21 0.00 0.00 1.13 5.08 0.31 -3.38 114.58 117.94 1uaa h GLU 517 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uaa h GLU 517 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1uaa h GLU 517 CO 0.09 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 1uaa n GLY 518 N 0.00 -1.24 3.83 -3.84 0.00 0.41 -4.65 105.19 99.70 1uaa n GLY 518 Ca -0.01 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 1uaa n GLY 518 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uaa s SER 519 N -4.00 -0.08 0.24 1.61 1.04 0.31 -4.80 113.70 108.02 1uaa s SER 519 Ca 0.00 -0.90 -0.00 0.00 0.48 0.00 0.00 55.95 55.53 1uaa s SER 519 Cb 0.00 0.75 0.55 0.00 0.10 0.00 0.00 66.02 67.42 1uaa s SER 519 CO 0.00 -1.46 1.24 1.21 0.98 0.00 0.00 173.24 175.20 1uaa n GLU 520 N -0.53 -0.06 -0.02 4.02 4.07 -1.26 -2.30 120.64 124.57 1uaa n GLU 520 Ca -0.06 1.19 0.01 0.00 -0.06 0.00 0.00 57.16 58.24 1uaa n GLU 520 Cb 0.60 -1.87 -0.06 0.00 -0.06 0.00 0.00 31.44 30.05 1uaa n GLU 520 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1uaa n LEU 521 N -5.15 0.00 -4.44 4.31 4.32 -1.26 -4.87 117.00 109.90 1uaa n LEU 521 Ca 0.17 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.72 1uaa n LEU 521 Cb 0.56 0.07 -0.06 0.00 -1.62 0.00 0.00 43.42 42.36 1uaa n LEU 521 CO -0.07 0.07 0.30 -1.81 -1.22 0.00 0.00 177.39 174.66 1uaa s ASP 522 N -3.24 6.22 0.19 -1.43 1.01 -0.97 -5.02 116.67 113.42 1uaa s ASP 522 Ca -0.03 -0.93 -0.32 0.00 0.71 0.00 0.00 52.55 51.98 1uaa s ASP 522 Cb 0.04 -2.28 -0.11 0.00 1.01 0.00 0.00 42.92 41.58 1uaa s ASP 522 CO 0.29 -0.86 1.61 -1.61 0.21 0.00 0.00 175.17 174.82 1uaa s GLU 523 N 2.52 4.18 0.89 8.23 2.02 -1.26 0.11 118.70 135.41 1uaa s GLU 523 Ca 0.14 2.45 -0.14 0.00 0.02 0.00 0.00 54.97 57.43 1uaa s GLU 523 Cb -0.20 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1uaa s GLU 523 CO 0.12 -0.65 0.19 -0.35 0.02 0.00 0.00 175.26 174.59 1uaa n PRO 524 N 3.82 -0.09 -4.64 0.39 -0.04 -1.26 -4.83 135.00 128.36 1uaa n PRO 524 Ca 0.14 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.29 1uaa n PRO 524 Cb 0.37 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 1uaa n PRO 524 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1uaa s MET 525 N -3.05 2.34 0.50 0.54 -1.94 -0.99 -4.95 119.30 111.76 1uaa s MET 525 Ca 0.56 -0.82 -0.22 0.00 -1.71 0.00 0.00 55.69 53.49 1uaa s MET 525 Cb -0.25 -2.34 -0.06 0.00 2.01 0.00 0.00 34.83 34.19 1uaa s MET 525 CO 0.68 0.58 1.19 0.95 -0.01 0.00 0.00 175.02 178.42 1uaa s THR 526 N -0.91 2.91 0.45 2.05 -4.23 -1.26 -4.47 115.64 110.17 1uaa s THR 526 Ca 0.15 0.66 0.15 0.00 -1.18 0.00 0.00 61.69 61.46 1uaa s THR 526 Cb -0.11 -3.32 0.33 0.00 1.34 0.00 0.00 72.50 70.74 1uaa s THR 526 CO 0.05 -0.04 1.99 0.25 -0.54 0.00 0.00 174.62 176.33 1uaa h LEU 527 N 1.72 0.32 -0.69 4.79 5.85 -1.98 -0.13 115.31 125.19 1uaa h LEU 527 Ca -0.50 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.28 1uaa h LEU 527 Cb 1.26 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1uaa h LEU 527 CO 0.59 0.19 0.41 0.00 -0.34 0.00 0.00 178.44 179.29 1uaa h THR 528 N 0.35 1.01 0.01 1.05 1.03 -1.95 0.14 112.91 114.56 1uaa h THR 528 Ca 0.26 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1uaa h THR 528 Cb 0.54 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 67.81 1uaa h THR 528 CO -0.06 0.14 -0.00 0.06 -0.01 0.00 0.00 175.52 175.64 1uaa h GLN 529 N 0.76 -0.01 -1.11 0.00 3.07 -1.43 -1.59 115.11 114.80 1uaa h GLN 529 Ca 0.30 0.00 0.34 0.00 0.09 0.00 0.00 58.65 59.38 1uaa h GLN 529 Cb 0.13 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 27.57 1uaa h GLN 529 CO -0.16 0.59 0.68 0.28 0.09 0.00 0.00 178.83 180.32 1uaa h VAL 530 N -0.63 0.30 0.10 1.86 2.07 -0.98 0.12 116.25 119.09 1uaa h VAL 530 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1uaa h VAL 530 Cb 0.61 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1uaa h VAL 530 CO 0.00 0.05 -0.05 0.58 0.02 0.00 0.00 177.57 178.17 1uaa h VAL 531 N 0.27 0.00 -0.99 2.57 2.07 -0.56 -2.68 116.25 116.93 1uaa h VAL 531 Ca 0.73 -0.06 0.41 0.00 0.82 0.00 0.00 66.70 68.60 1uaa h VAL 531 Cb 1.91 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.50 1uaa h VAL 531 CO -0.47 0.00 0.54 0.35 0.02 0.00 0.00 177.57 178.00 1uaa n THR 532 N -2.54 -0.41 0.01 2.57 -2.24 -0.02 0.16 114.28 111.80 1uaa n THR 532 Ca -0.02 1.98 -0.00 0.00 -2.27 0.00 0.00 64.05 63.74 1uaa n THR 532 Cb 0.05 -3.23 -0.00 0.00 -2.10 0.00 0.00 70.33 65.06 1uaa n THR 532 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1uaa h ARG 533 N 0.00 -0.02 -0.79 -0.78 -0.00 -0.89 -1.86 114.38 110.04 1uaa h ARG 533 Ca 0.83 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 60.44 1uaa h ARG 533 Cb 2.22 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 32.06 1uaa h ARG 533 CO -0.75 -0.01 -0.40 0.74 0.00 0.00 0.00 179.97 179.55 1uaa h PHE 534 N -0.02 -1.15 -0.60 3.04 0.04 0.18 -3.00 116.94 115.43 1uaa h PHE 534 Ca -0.00 0.09 0.11 0.00 2.80 0.00 0.00 57.97 60.98 1uaa h PHE 534 Cb 0.02 0.62 -0.09 0.00 2.20 0.00 0.00 35.95 38.69 1uaa h PHE 534 CO -0.02 -0.40 0.12 1.79 -0.60 0.00 0.00 178.31 179.20 1uaa h THR 535 N -0.10 0.63 -0.60 -1.55 1.35 -0.55 -3.17 112.91 108.93 1uaa h THR 535 Ca 0.26 -0.09 0.23 0.00 -0.55 0.00 0.00 66.41 66.27 1uaa h THR 535 Cb 0.56 0.36 -0.09 0.00 -1.73 0.00 0.00 68.15 67.25 1uaa h THR 535 CO -0.83 0.05 0.35 0.18 -0.25 0.00 0.00 175.52 175.01 1uaa n LEU 536 N -5.14 0.16 0.15 3.87 4.77 -0.75 -0.42 117.00 119.65 1uaa n LEU 536 Ca 0.09 0.84 -0.15 0.00 -0.03 0.00 0.00 56.01 56.77 1uaa n LEU 536 Cb 0.33 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1uaa n LEU 536 CO 0.17 -0.94 0.51 0.03 -1.33 0.00 0.00 177.39 175.83 1uaa h ARG 537 N 0.00 -0.70 -5.04 3.23 2.47 -1.78 -3.53 114.38 109.02 1uaa h ARG 537 Ca 0.46 0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 59.18 1uaa h ARG 537 Cb 1.30 0.16 0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1uaa h ARG 537 CO -0.36 -0.47 0.46 -0.40 0.56 0.00 0.00 179.97 179.76 1uaa n ASP 538 N -5.04 0.13 -3.64 7.04 5.68 0.44 -5.17 116.55 115.99 1uaa n ASP 538 Ca -0.08 -2.05 -0.03 0.00 -0.50 0.00 0.00 54.79 52.12 1uaa n ASP 538 Cb 0.37 -1.18 -0.07 0.00 -1.14 0.00 0.00 41.12 39.10 1uaa n ASP 538 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1uaa s GLU 547 N 7.03 0.39 -0.49 0.11 2.56 -1.26 -5.15 118.70 121.89 1uaa s GLU 547 Ca 0.51 0.64 0.04 0.00 0.00 0.00 0.00 54.97 56.16 1uaa s GLU 547 Cb -0.01 0.09 0.42 0.00 2.00 0.00 0.00 34.13 36.63 1uaa s GLU 547 CO 0.14 -0.08 1.33 -1.91 -0.56 0.00 0.00 175.26 174.18 1uaa n GLU 548 N 3.52 3.31 -5.06 4.30 2.13 -1.26 -5.03 120.64 122.56 1uaa n GLU 548 Ca -0.18 -4.21 -0.28 0.00 0.66 0.00 0.00 57.16 53.16 1uaa n GLU 548 Cb 0.57 -2.26 -0.16 0.00 0.27 0.00 0.00 31.44 29.87 1uaa n GLU 548 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1uaa s LEU 549 N -3.66 2.04 -0.20 4.31 1.98 -1.26 -5.11 118.68 116.78 1uaa s LEU 549 Ca 0.50 -0.39 -0.27 0.00 -2.89 0.00 0.00 54.13 51.09 1uaa s LEU 549 Cb 0.41 -1.11 -0.00 0.00 0.66 0.00 0.00 46.19 46.15 1uaa s LEU 549 CO -0.17 0.26 0.91 -0.62 -1.89 0.00 0.00 176.35 174.84 1uaa s ASP 550 N -0.49 7.00 -0.27 3.68 2.15 -1.26 -4.89 116.67 122.57 1uaa s ASP 550 Ca 0.08 1.24 -0.27 0.00 0.43 0.00 0.00 52.55 54.03 1uaa s ASP 550 Cb -0.08 -2.49 0.17 0.00 -0.30 0.00 0.00 42.92 40.22 1uaa s ASP 550 CO -0.01 -0.51 1.28 0.00 -0.17 0.00 0.00 175.17 175.76 1uaa s GLN 551 N 2.63 0.22 -0.09 4.34 -2.07 -1.26 -4.78 119.66 118.65 1uaa s GLN 551 Ca 0.40 0.18 -0.29 0.00 -1.82 0.00 0.00 55.36 53.83 1uaa s GLN 551 Cb -0.16 0.11 -0.07 0.00 -1.09 0.00 0.00 33.01 31.80 1uaa s GLN 551 CO 0.10 -0.04 2.02 0.08 -1.32 0.00 0.00 175.29 176.12 1uaa s VAL 552 N -0.29 3.10 0.01 3.63 1.01 -0.37 -3.54 120.40 123.95 1uaa s VAL 552 Ca 0.06 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1uaa s VAL 552 Cb -0.04 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 1uaa s VAL 552 CO -0.10 -0.04 1.52 -1.58 0.00 0.00 0.00 175.10 174.91 1uaa s GLN 553 N 5.17 4.24 -0.25 2.72 2.00 0.24 -2.44 119.66 131.33 1uaa s GLN 553 Ca 0.91 2.11 -0.01 0.00 -2.00 0.00 0.00 55.36 56.37 1uaa s GLN 553 Cb -0.37 -3.66 0.08 0.00 0.80 0.00 0.00 33.01 29.86 1uaa s GLN 553 CO 0.38 -0.68 0.04 -1.17 -0.50 0.00 0.00 175.29 173.36 1uaa s LEU 554 N 2.79 2.06 0.35 3.68 0.20 -0.69 0.12 118.68 127.19 1uaa s LEU 554 Ca 0.68 -1.27 -0.14 0.00 0.69 0.00 0.00 54.13 54.09 1uaa s LEU 554 Cb -0.34 -0.88 0.04 0.00 -0.43 0.00 0.00 46.19 44.57 1uaa s LEU 554 CO 0.28 -0.33 0.70 0.00 -0.29 0.00 0.00 176.35 176.71 1uaa s MET 555 N 1.62 2.05 0.65 1.98 0.23 -0.72 -3.03 119.30 122.07 1uaa s MET 555 Ca 0.02 -1.39 -0.11 0.00 -1.03 0.00 0.00 55.69 53.19 1uaa s MET 555 Cb -0.18 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 33.69 1uaa s MET 555 CO -0.14 -0.93 1.04 0.95 -2.03 0.00 0.00 175.02 173.91 1uaa s THR 556 N -2.87 4.15 0.15 3.16 -4.23 -1.26 -2.96 115.64 111.78 1uaa s THR 556 Ca 0.18 0.63 -0.18 0.00 -1.18 0.00 0.00 61.69 61.14 1uaa s THR 556 Cb -0.04 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1uaa s THR 556 CO 0.12 -0.88 1.69 -0.07 -0.54 0.00 0.00 174.62 174.94 1uaa h LEU 557 N -0.43 -0.24 -0.95 4.79 3.38 -1.33 0.19 115.31 120.72 1uaa h LEU 557 Ca -0.45 0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1uaa h LEU 557 Cb 1.22 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 1uaa h LEU 557 CO 0.63 -0.08 0.60 0.45 0.09 0.00 0.00 178.44 180.13 1uaa h HIS 558 N 0.03 1.11 -0.86 1.13 3.86 -1.90 0.71 115.15 119.23 1uaa h HIS 558 Ca 0.16 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.46 1uaa h HIS 558 Cb 0.23 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 1uaa h HIS 558 CO -0.28 0.54 0.56 0.00 0.86 0.00 0.00 177.93 179.61 1uaa h ALA 559 N 1.46 1.54 0.00 2.45 0.00 -1.06 -2.79 119.26 120.86 1uaa h ALA 559 Ca 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1uaa h ALA 559 Cb 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uaa h ALA 559 CO -0.20 0.34 -0.02 0.66 0.00 0.00 0.00 179.25 180.03 1uaa h SER 560 N 0.99 0.00 -0.77 0.00 4.64 0.23 -3.47 113.55 115.17 1uaa h SER 560 Ca 0.37 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 61.03 1uaa h SER 560 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1uaa h SER 560 CO -0.13 0.02 0.35 1.17 -0.87 0.00 0.00 176.83 177.38 1uaa n LYS 561 N -3.12 0.00 -1.96 4.77 4.81 -1.04 -1.42 118.16 120.20 1uaa n LYS 561 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 1uaa n LYS 561 Cb 0.33 -1.15 -0.01 0.00 0.02 0.00 0.00 35.03 34.22 1uaa n LYS 561 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uaa n GLY 562 N 2.38 0.24 3.47 3.14 0.00 -1.26 -5.03 105.19 108.12 1uaa n GLY 562 Ca 0.21 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1uaa n GLY 562 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uaa s LEU 563 N -1.70 1.95 0.02 0.99 1.43 -0.51 -5.16 118.68 115.70 1uaa s LEU 563 Ca 0.00 -1.62 -0.25 0.00 -1.03 0.00 0.00 54.13 51.23 1uaa s LEU 563 Cb 0.00 -0.06 0.06 0.00 0.03 0.00 0.00 46.19 46.22 1uaa s LEU 563 CO 0.00 -0.89 0.56 -1.83 0.23 0.00 0.00 176.35 174.42 1uaa s GLU 564 N -3.74 1.03 -0.17 1.70 -1.05 -1.26 -4.61 118.70 110.60 1uaa s GLU 564 Ca 0.28 -0.08 -0.22 0.00 -0.15 0.00 0.00 54.97 54.80 1uaa s GLU 564 Cb 0.04 0.47 0.06 0.00 -0.44 0.00 0.00 34.13 34.26 1uaa s GLU 564 CO 0.16 -0.35 0.58 -0.06 0.95 0.00 0.00 175.26 176.53 1uaa s PHE 565 N -2.00 -0.60 0.39 4.83 0.40 -0.64 -5.03 117.98 115.33 1uaa s PHE 565 Ca -0.08 1.37 0.11 0.00 -0.60 0.00 0.00 56.93 57.73 1uaa s PHE 565 Cb -0.01 0.25 0.91 0.00 0.51 0.00 0.00 43.02 44.68 1uaa s PHE 565 CO 0.02 -0.38 1.93 -1.35 0.70 0.00 0.00 175.22 176.14 1uaa h PRO 566 N 4.65 0.55 -3.65 0.24 0.11 -1.85 -1.36 132.00 130.69 1uaa h PRO 566 Ca -0.28 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.42 1uaa h PRO 566 Cb 1.16 -0.12 -0.36 0.00 0.11 0.00 0.00 31.00 31.79 1uaa h PRO 566 CO 0.21 0.36 -0.75 0.71 -0.21 0.00 0.00 178.00 178.32 1uaa s TYR 567 N -5.54 0.39 0.10 0.65 2.02 -0.66 -1.35 117.35 112.96 1uaa s TYR 567 Ca -0.09 -0.01 0.10 0.00 -0.37 0.00 0.00 57.07 56.71 1uaa s TYR 567 Cb 0.21 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1uaa s TYR 567 CO 0.77 -0.21 -0.26 0.08 -1.57 0.00 0.00 175.55 174.36 1uaa s VAL 568 N 1.54 2.25 -0.37 0.71 1.01 -1.05 -0.87 120.40 123.61 1uaa s VAL 568 Ca -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.38 1uaa s VAL 568 Cb -0.13 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.42 1uaa s VAL 568 CO -0.03 0.20 0.14 -0.31 0.00 0.00 0.00 175.10 175.10 1uaa s TYR 569 N -0.96 2.46 -0.47 5.22 2.02 -0.71 -1.36 117.35 123.55 1uaa s TYR 569 Ca 0.13 -2.39 -0.28 0.00 -0.37 0.00 0.00 57.07 54.16 1uaa s TYR 569 Cb -0.10 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1uaa s TYR 569 CO 0.05 -0.86 1.09 -1.64 -1.57 0.00 0.00 175.55 172.62 1uaa s MET 570 N 0.90 3.70 0.50 -0.62 -1.94 0.02 -2.20 119.30 119.66 1uaa s MET 570 Ca 0.13 0.50 0.04 0.00 -1.71 0.00 0.00 55.69 54.65 1uaa s MET 570 Cb -0.21 -3.91 0.02 0.00 2.01 0.00 0.00 34.83 32.75 1uaa s MET 570 CO -0.11 -1.33 0.70 0.14 -0.01 0.00 0.00 175.02 174.40 1uaa s VAL 571 N 4.28 2.84 -0.98 -6.03 -7.23 -0.55 -1.46 120.40 111.26 1uaa s VAL 571 Ca 0.46 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 1uaa s VAL 571 Cb -0.08 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1uaa s VAL 571 CO 0.30 -0.01 0.80 0.61 -0.31 0.00 0.00 175.10 176.49 1uaa n GLY 572 N -2.15 -1.15 2.29 2.32 0.00 0.11 -4.68 105.19 101.94 1uaa n GLY 572 Ca 0.08 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 1uaa n GLY 572 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uaa n MET 573 N -3.12 2.38 -2.46 1.61 2.81 0.21 -4.08 117.12 114.47 1uaa n MET 573 Ca -0.08 -2.66 -0.23 0.00 -1.81 0.00 0.00 57.70 52.92 1uaa n MET 573 Cb 0.59 -2.05 0.07 0.00 -0.71 0.00 0.00 33.22 31.11 1uaa n MET 573 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1uaa s GLU 574 N -2.97 2.18 0.00 0.03 2.02 -1.26 0.18 118.70 118.88 1uaa s GLU 574 Ca 0.52 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1uaa s GLU 574 Cb 0.40 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1uaa s GLU 574 CO -0.09 -1.10 0.40 -1.91 0.02 0.00 0.00 175.26 172.58 1uaa n GLU 575 N -2.68 0.00 -0.24 1.61 4.07 0.13 -2.10 120.64 121.42 1uaa n GLU 575 Ca 0.10 0.12 0.06 0.00 -0.06 0.00 0.00 57.16 57.38 1uaa n GLU 575 Cb 0.60 -0.94 0.13 0.00 -0.06 0.00 0.00 31.44 31.17 1uaa n GLU 575 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1uaa n GLY 576 N 0.46 -1.08 0.00 8.31 0.00 -1.24 -2.21 105.19 109.43 1uaa n GLY 576 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1uaa n GLY 576 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uaa n PHE 577 N -5.05 0.00 0.00 1.61 3.72 -1.24 0.11 117.46 116.61 1uaa n PHE 577 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1uaa n PHE 577 Cb 0.40 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1uaa n PHE 577 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1uaa n LEU 578 N -0.78 0.17 -4.56 4.37 -0.00 -0.89 -2.18 117.00 113.14 1uaa n LEU 578 Ca 0.00 0.63 -0.26 0.00 -0.00 0.00 0.00 56.01 56.38 1uaa n LEU 578 Cb 0.00 -0.17 -0.05 0.00 -0.00 0.00 0.00 43.42 43.20 1uaa n LEU 578 CO 0.00 -0.17 1.56 -2.84 -0.00 0.00 0.00 177.39 175.94 1uaa s PRO 579 N -1.56 2.01 -0.04 1.96 0.02 -0.94 -4.79 135.00 131.65 1uaa s PRO 579 Ca 0.00 0.72 -0.32 0.00 0.02 0.00 0.00 61.00 61.42 1uaa s PRO 579 Cb 0.00 -4.71 -0.10 0.00 0.02 0.00 0.00 34.50 29.71 1uaa s PRO 579 CO 0.00 -3.72 1.96 1.58 -0.33 0.00 0.00 177.00 176.50 1uaa n HIS 580 N 16.45 2.39 -0.33 6.54 -0.00 -0.93 -3.61 115.22 135.74 1uaa n HIS 580 Ca 0.39 -0.21 -0.04 0.00 0.46 0.00 0.00 57.72 58.33 1uaa n HIS 580 Cb 0.49 -2.74 -0.01 0.00 -0.12 0.00 0.00 29.99 27.61 1uaa n HIS 580 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1uaa n GLN 581 N 7.31 -0.25 -0.14 1.57 -0.06 0.29 0.13 117.38 126.23 1uaa n GLN 581 Ca 0.22 1.25 -0.04 0.00 -2.00 0.00 0.00 57.00 56.44 1uaa n GLN 581 Cb 0.36 -1.85 -0.03 0.00 -4.06 0.00 0.00 30.24 24.66 1uaa n GLN 581 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1uaa h SER 582 N 0.00 -0.73 -0.67 1.69 4.64 -1.89 0.62 113.55 117.21 1uaa h SER 582 Ca 0.23 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1uaa h SER 582 Cb 0.44 0.32 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1uaa h SER 582 CO -0.80 -0.08 0.41 0.28 -0.87 0.00 0.00 176.83 175.77 1uaa h SER 583 N -0.00 0.81 -0.74 4.97 0.02 0.00 -1.02 113.55 117.59 1uaa h SER 583 Ca 0.05 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1uaa h SER 583 Cb 0.14 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 62.35 1uaa h SER 583 CO -0.31 0.63 -0.41 0.40 -1.14 0.00 0.00 176.83 176.00 1uaa h ILE 584 N 0.94 0.08 -2.82 3.27 1.08 0.63 -2.19 117.51 118.49 1uaa h ILE 584 Ca 0.25 0.00 -0.78 0.00 -0.39 0.00 0.00 64.86 63.93 1uaa h ILE 584 Cb -0.04 0.08 -0.24 0.00 -3.07 0.00 0.00 36.82 33.55 1uaa h ILE 584 CO -0.05 0.00 0.94 -0.90 -0.69 0.00 0.00 178.15 177.45 1uaa n ASP 585 N -5.42 5.66 0.00 1.72 5.68 0.63 -3.44 116.55 121.38 1uaa n ASP 585 Ca 0.05 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.20 1uaa n ASP 585 Cb 0.36 -1.40 0.00 0.00 -1.14 0.00 0.00 41.12 38.94 1uaa n ASP 585 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1uaa n GLU 586 N 3.04 0.00 -0.29 0.11 1.02 -0.84 -4.90 120.64 118.78 1uaa n GLU 586 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1uaa n GLU 586 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 1uaa n GLU 586 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1uaa n ASP 587 N 0.00 0.00 -4.66 1.62 9.92 -1.15 -4.94 116.55 117.33 1uaa n ASP 587 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1uaa n ASP 587 Cb 0.03 -1.27 -0.04 0.00 -0.64 0.00 0.00 41.12 39.20 1uaa n ASP 587 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1uaa s ASN 588 N -2.54 6.91 0.00 -2.24 2.47 -1.25 -4.71 114.94 113.57 1uaa s ASN 588 Ca 0.00 1.12 0.00 0.00 0.42 0.00 0.00 52.86 54.40 1uaa s ASN 588 Cb 0.00 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1uaa s ASN 588 CO 0.00 -0.43 0.00 -0.38 -3.72 0.00 0.00 177.10 172.57 1uaa n ILE 589 N 4.90 0.00 -0.17 -5.21 5.41 -1.26 -4.40 119.36 118.62 1uaa n ILE 589 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.90 1uaa n ILE 589 Cb 0.48 -0.18 0.19 0.00 -0.71 0.00 0.00 39.64 39.43 1uaa n ILE 589 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1uaa n ASP 590 N -1.57 0.00 -0.00 4.38 9.92 -1.26 0.22 116.55 128.24 1uaa n ASP 590 Ca 0.00 0.87 -0.13 0.00 -0.53 0.00 0.00 54.79 55.00 1uaa n ASP 590 Cb 0.14 -0.34 -0.09 0.00 -0.64 0.00 0.00 41.12 40.19 1uaa n ASP 590 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1uaa h GLU 591 N 0.00 -0.00 -0.94 -1.24 4.81 -1.92 0.03 114.58 115.32 1uaa h GLU 591 Ca 0.34 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.76 1uaa h GLU 591 Cb 0.78 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.05 1uaa h GLU 591 CO -0.46 0.37 0.53 1.49 -0.73 0.00 0.00 179.01 180.21 1uaa h GLU 592 N -0.37 0.65 0.17 1.92 4.57 0.24 1.27 114.58 123.03 1uaa h GLU 592 Ca -0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1uaa h GLU 592 Cb 0.37 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1uaa h GLU 592 CO 0.00 0.43 -0.08 -0.09 -1.18 0.00 0.00 179.01 178.09 1uaa h ARG 593 N 0.67 -0.22 -0.62 1.92 2.43 -0.02 0.27 114.38 118.82 1uaa h ARG 593 Ca 0.54 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.85 1uaa h ARG 593 Cb 0.86 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.36 1uaa h ARG 593 CO -0.40 -0.10 0.09 0.00 -1.51 0.00 0.00 179.97 178.05 1uaa h ARG 594 N -0.28 0.21 -0.47 0.20 3.08 0.24 0.25 114.38 117.61 1uaa h ARG 594 Ca -0.02 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.09 1uaa h ARG 594 Cb 0.22 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1uaa h ARG 594 CO 0.04 0.14 -0.43 1.25 -1.07 0.00 0.00 179.97 179.90 1uaa h LEU 595 N 0.21 -1.43 0.52 3.04 5.85 0.21 0.54 115.31 124.25 1uaa h LEU 595 Ca 0.33 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 59.26 1uaa h LEU 595 Cb 0.52 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1uaa h LEU 595 CO -0.45 -0.35 -0.46 0.00 -0.34 0.00 0.00 178.44 176.83 1uaa h ALA 596 N 0.52 -1.06 -1.15 1.25 0.00 0.15 -1.37 119.26 117.59 1uaa h ALA 596 Ca 0.15 -0.18 0.33 0.00 0.00 0.00 0.00 54.91 55.21 1uaa h ALA 596 Cb 0.57 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1uaa h ALA 596 CO -0.62 -1.13 0.77 -0.92 0.00 0.00 0.00 179.25 177.35 1uaa h TYR 597 N -0.98 0.44 0.00 0.00 5.03 -0.47 0.32 116.97 121.32 1uaa h TYR 597 Ca -0.06 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1uaa h TYR 597 Cb 0.84 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1uaa h TYR 597 CO -0.21 -0.01 0.00 0.28 -1.32 0.00 0.00 178.16 176.90 1uaa n VAL 598 N -4.50 0.00 -0.01 1.81 0.31 0.18 -1.94 118.33 114.18 1uaa n VAL 598 Ca 0.28 1.07 -0.00 0.00 -0.01 0.00 0.00 64.34 65.67 1uaa n VAL 598 Cb 1.10 -1.98 -0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1uaa n VAL 598 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uaa n GLY 599 N -0.01 -0.23 0.40 2.92 0.00 0.55 0.27 105.19 109.10 1uaa n GLY 599 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1uaa n GLY 599 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uaa h ILE 600 N 0.00 0.10 0.00 -0.61 2.04 -0.60 0.26 117.51 118.69 1uaa h ILE 600 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1uaa h ILE 600 Cb 0.01 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1uaa h ILE 600 CO -0.03 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.47 1uaa n THR 601 N -5.41 0.00 0.06 -0.27 -2.24 0.77 -2.29 114.28 104.90 1uaa n THR 601 Ca -0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1uaa n THR 601 Cb 0.35 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.08 1uaa n THR 601 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uaa n ARG 602 N -0.53 0.62 -3.06 -0.78 3.00 0.91 -4.87 116.66 111.95 1uaa n ARG 602 Ca 0.00 -0.12 -0.39 0.00 -0.01 0.00 0.00 57.85 57.34 1uaa n ARG 602 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 32.46 30.81 1uaa n ARG 602 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uaa s ALA 603 N -3.46 3.48 -0.11 7.54 0.00 -0.97 -1.62 121.76 126.62 1uaa s ALA 603 Ca -0.06 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.22 1uaa s ALA 603 Cb 0.13 -2.87 -0.11 0.00 0.00 0.00 0.00 23.12 20.27 1uaa s ALA 603 CO 0.88 0.29 -0.02 0.00 0.00 0.00 0.00 175.76 176.91 1uaa n GLN 604 N 1.79 1.62 -0.08 0.00 10.64 -0.51 -4.54 117.38 126.30 1uaa n GLN 604 Ca -0.07 0.02 -0.12 0.00 -1.83 0.00 0.00 57.00 55.01 1uaa n GLN 604 Cb 0.49 -1.26 -0.07 0.00 -0.86 0.00 0.00 30.24 28.54 1uaa n GLN 604 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1uaa n LYS 605 N -2.56 0.39 -3.69 2.61 5.02 -0.45 -2.09 118.16 117.39 1uaa n LYS 605 Ca -0.19 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.06 1uaa n LYS 605 Cb 0.80 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.44 1uaa n LYS 605 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1uaa s GLU 606 N -2.31 0.70 -0.02 1.97 -1.05 -0.88 -4.32 118.70 112.79 1uaa s GLU 606 Ca -0.21 0.28 0.04 0.00 -0.15 0.00 0.00 54.97 54.93 1uaa s GLU 606 Cb 0.06 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1uaa s GLU 606 CO 0.35 -0.16 -0.14 -1.17 0.95 0.00 0.00 175.26 175.09 1uaa s LEU 607 N -0.60 1.97 -0.06 1.83 2.96 -1.26 -2.54 118.68 120.98 1uaa s LEU 607 Ca -0.07 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1uaa s LEU 607 Cb -0.03 -0.76 0.02 0.00 0.50 0.00 0.00 46.19 45.92 1uaa s LEU 607 CO 0.04 0.16 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.29 1uaa s THR 608 N -0.19 0.56 0.25 3.68 2.01 -0.46 -2.95 115.64 118.54 1uaa s THR 608 Ca 0.02 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1uaa s THR 608 Cb -0.07 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1uaa s THR 608 CO 0.00 0.25 0.47 -0.36 -0.69 0.00 0.00 174.62 174.28 1uaa s PHE 609 N 1.20 3.48 -0.06 4.92 0.08 0.07 -0.80 117.98 126.88 1uaa s PHE 609 Ca -0.06 0.42 -0.12 0.00 0.12 0.00 0.00 56.93 57.29 1uaa s PHE 609 Cb -0.14 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1uaa s PHE 609 CO -0.02 0.27 0.29 0.95 -0.10 0.00 0.00 175.22 176.62 1uaa s THR 610 N -2.01 0.04 0.02 0.64 -4.23 -0.54 -0.86 115.64 108.70 1uaa s THR 610 Ca 0.40 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1uaa s THR 610 Cb -0.11 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 1uaa s THR 610 CO 0.30 -0.16 -0.00 -1.48 -0.54 0.00 0.00 174.62 172.74 1uaa s LEU 611 N -0.69 2.17 0.01 4.79 2.34 -0.98 0.68 118.68 126.99 1uaa s LEU 611 Ca -0.08 -0.53 -0.20 0.00 0.06 0.00 0.00 54.13 53.38 1uaa s LEU 611 Cb -0.04 0.21 -0.06 0.00 -0.56 0.00 0.00 46.19 45.74 1uaa s LEU 611 CO 0.02 -0.36 0.57 0.00 -1.06 0.00 0.00 176.35 175.52 1uaa h LYS 613 N 5.33 0.00 -2.41 0.00 1.57 0.36 -3.44 116.57 117.97 1uaa h LYS 613 Ca -0.47 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 1uaa h LYS 613 Cb 1.20 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.29 1uaa h LYS 613 CO 0.68 0.00 -0.07 -1.83 -0.57 0.00 0.00 179.45 177.66 1uaa s GLU 614 N -3.32 0.66 0.16 3.15 -1.05 0.11 -3.99 118.70 114.42 1uaa s GLU 614 Ca 0.06 0.71 0.09 0.00 -0.15 0.00 0.00 54.97 55.68 1uaa s GLU 614 Cb 0.09 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1uaa s GLU 614 CO 0.54 -0.09 -0.19 1.03 0.95 0.00 0.00 175.26 177.50 1uaa s ARG 615 N 0.18 1.27 -0.66 -4.83 1.81 0.39 -3.78 118.95 113.33 1uaa s ARG 615 Ca -0.01 -1.39 -0.18 0.00 -1.72 0.00 0.00 55.73 52.43 1uaa s ARG 615 Cb -0.04 -1.36 0.12 0.00 -0.45 0.00 0.00 34.95 33.23 1uaa s ARG 615 CO 0.01 0.28 0.75 0.50 -0.68 0.00 0.00 175.30 176.17 1uaa s ARG 616 N -2.72 3.17 0.00 3.54 6.06 -1.26 0.57 118.95 128.31 1uaa s ARG 616 Ca 0.15 -1.52 0.00 0.00 -2.50 0.00 0.00 55.73 51.86 1uaa s ARG 616 Cb -0.06 -4.36 0.00 0.00 0.06 0.00 0.00 34.95 30.59 1uaa s ARG 616 CO 0.07 -1.53 0.95 0.94 -2.50 0.00 0.00 175.30 173.22 1uaa n GLN 617 N 6.04 0.00 -2.86 5.12 -0.06 0.74 -4.47 117.38 121.89 1uaa n GLN 617 Ca -0.03 0.62 -0.11 0.00 -2.00 0.00 0.00 57.00 55.48 1uaa n GLN 617 Cb 0.44 -1.45 0.01 0.00 -4.06 0.00 0.00 30.24 25.18 1uaa n GLN 617 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1uaa n TYR 618 N -2.16 -2.88 0.00 3.69 4.01 -1.26 -4.76 117.16 113.79 1uaa n TYR 618 Ca 0.00 -2.02 0.00 0.00 -0.16 0.00 0.00 57.90 55.72 1uaa n TYR 618 Cb 0.00 1.18 0.00 0.00 -0.31 0.00 0.00 39.34 40.21 1uaa n TYR 618 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uaa n GLY 619 N 2.05 2.10 3.64 2.72 0.00 -1.26 -4.85 105.19 109.58 1uaa n GLY 619 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1uaa n GLY 619 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uaa s GLU 620 N 0.00 4.15 0.04 1.61 2.12 -1.26 -5.03 118.70 120.32 1uaa s GLU 620 Ca 0.00 0.47 -0.22 0.00 0.36 0.00 0.00 54.97 55.58 1uaa s GLU 620 Cb 0.00 -3.61 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 1uaa s GLU 620 CO 0.00 -0.28 0.65 -0.51 -0.54 0.00 0.00 175.26 174.57 1uaa s LEU 621 N 2.07 4.46 -0.01 2.70 1.43 -1.26 0.26 118.68 128.34 1uaa s LEU 621 Ca 0.25 1.29 0.07 0.00 -1.03 0.00 0.00 54.13 54.72 1uaa s LEU 621 Cb -0.16 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1uaa s LEU 621 CO 0.09 0.13 -0.23 0.68 0.23 0.00 0.00 176.35 177.25 1uaa s VAL 622 N -0.43 2.36 -0.77 -1.59 -7.23 0.19 -4.83 120.40 108.11 1uaa s VAL 622 Ca 0.33 -1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 1uaa s VAL 622 Cb -0.19 -1.88 0.20 0.00 0.56 0.00 0.00 36.38 35.07 1uaa s VAL 622 CO 0.20 0.51 0.70 -0.13 -0.31 0.00 0.00 175.10 176.07 1uaa s ARG 623 N -0.85 3.43 0.75 4.82 3.00 -1.26 -0.46 118.95 128.37 1uaa s ARG 623 Ca 0.11 -2.37 -0.11 0.00 0.00 0.00 0.00 55.73 53.37 1uaa s ARG 623 Cb -0.10 -4.35 0.04 0.00 0.00 0.00 0.00 34.95 30.54 1uaa s ARG 623 CO 0.01 -1.28 1.08 -2.14 0.00 0.00 0.00 175.30 172.97 1uaa s PRO 624 N 0.33 2.43 -0.07 3.54 0.02 -1.26 -5.04 135.00 134.96 1uaa s PRO 624 Ca 0.16 1.11 -0.00 0.00 0.02 0.00 0.00 61.00 62.29 1uaa s PRO 624 Cb -0.14 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1uaa s PRO 624 CO -0.07 -1.50 -0.03 -2.00 -0.33 0.00 0.00 177.00 173.07 1uaa s GLU 625 N -4.94 2.85 -0.34 5.54 2.56 -1.26 -4.91 118.70 118.20 1uaa s GLU 625 Ca 0.60 -0.48 -0.44 0.00 0.00 0.00 0.00 54.97 54.65 1uaa s GLU 625 Cb -0.16 -2.69 -0.19 0.00 2.00 0.00 0.00 34.13 33.09 1uaa s GLU 625 CO 0.56 0.68 1.52 -2.30 -0.56 0.00 0.00 175.26 175.16 1uaa n PRO 626 N 2.16 0.29 -1.60 4.30 -0.02 -1.26 0.19 135.00 139.07 1uaa n PRO 626 Ca -0.18 0.11 -0.63 0.00 -2.02 0.00 0.00 63.50 60.78 1uaa n PRO 626 Cb 0.53 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 1uaa n PRO 626 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uaa n SER 627 N 3.77 1.39 -0.66 2.55 2.88 0.48 -4.57 113.62 119.46 1uaa n SER 627 Ca 0.28 0.99 0.51 0.00 -1.33 0.00 0.00 58.87 59.31 1uaa n SER 627 Cb 0.02 -0.96 0.82 0.00 -0.75 0.00 0.00 64.21 63.33 1uaa n SER 627 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1uaa h ARG 628 N 6.94 0.00 -0.30 -1.46 0.11 -1.87 0.75 114.38 118.56 1uaa h ARG 628 Ca -0.35 -0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.80 1uaa h ARG 628 Cb 1.37 -0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.37 1uaa h ARG 628 CO 1.01 0.00 -0.30 0.74 0.10 0.00 0.00 179.97 181.52 1uaa h PHE 629 N 0.00 -0.81 -1.13 4.08 0.04 -1.94 0.40 116.94 117.58 1uaa h PHE 629 Ca 0.89 0.05 0.32 0.00 2.80 0.00 0.00 57.97 62.03 1uaa h PHE 629 Cb 3.58 0.40 -0.08 0.00 2.20 0.00 0.00 35.95 42.05 1uaa h PHE 629 CO -0.00 -0.36 0.76 -0.07 -0.60 0.00 0.00 178.31 178.03 1uaa h LEU 630 N -0.28 0.28 -0.07 1.54 3.38 -1.15 0.20 115.31 119.21 1uaa h LEU 630 Ca 0.15 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1uaa h LEU 630 Cb 0.52 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1uaa h LEU 630 CO -0.45 0.02 -0.32 -0.07 0.09 0.00 0.00 178.44 177.71 1uaa h LEU 631 N 0.23 0.39 -1.93 1.67 -0.00 -1.06 -3.12 115.31 111.49 1uaa h LEU 631 Ca 0.62 -0.65 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1uaa h LEU 631 Cb 1.90 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 1uaa h LEU 631 CO -0.23 0.98 0.00 -0.33 -0.00 0.00 0.00 178.44 178.86 1uaa h GLU 632 N -0.17 0.00 -7.25 1.13 5.08 -0.18 -3.44 114.58 109.76 1uaa h GLU 632 Ca -0.02 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.85 1uaa h GLU 632 Cb 0.97 0.00 0.19 0.00 0.50 0.00 0.00 28.75 30.41 1uaa h GLU 632 CO 0.07 0.00 0.17 -0.51 -1.00 0.00 0.00 179.01 177.74 1uaa s LEU 633 N -5.50 2.16 -0.76 1.33 1.02 -1.00 -4.62 118.68 111.32 1uaa s LEU 633 Ca -0.02 1.84 -0.26 0.00 0.02 0.00 0.00 54.13 55.72 1uaa s LEU 633 Cb 0.10 -4.11 0.01 0.00 0.02 0.00 0.00 46.19 42.21 1uaa s LEU 633 CO 0.38 -3.28 1.53 -2.16 0.02 0.00 0.00 176.35 172.85 1uaa s PRO 634 N -4.66 3.03 0.58 1.29 0.04 -1.26 -4.89 135.00 129.13 1uaa s PRO 634 Ca 0.66 -0.12 0.30 0.00 0.04 0.00 0.00 61.00 61.88 1uaa s PRO 634 Cb -0.22 -4.49 1.39 0.00 0.04 0.00 0.00 34.50 31.22 1uaa s PRO 634 CO 0.60 -2.44 1.76 1.96 0.04 0.00 0.00 177.00 178.92 1uaa h GLN 635 N 11.55 0.00 -0.37 4.56 1.08 -1.89 0.25 115.11 130.28 1uaa h GLN 635 Ca -0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1uaa h GLN 635 Cb 1.07 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 1uaa h GLN 635 CO 1.28 0.00 0.24 -0.44 -0.95 0.00 0.00 178.83 178.96 1uaa h ASP 636 N 0.00 0.43 -0.41 1.46 3.32 -2.02 -2.33 116.42 116.87 1uaa h ASP 636 Ca 0.34 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1uaa h ASP 636 Cb 1.73 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1uaa h ASP 636 CO -0.00 0.31 0.00 0.47 -1.72 0.00 0.00 179.24 178.30 1uaa n ASP 637 N -4.48 3.38 -4.69 6.45 8.00 0.86 -4.88 116.55 121.19 1uaa n ASP 637 Ca 0.02 -1.98 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 1uaa n ASP 637 Cb 0.07 -0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 40.81 1uaa n ASP 637 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1uaa s LEU 638 N -1.44 3.56 -0.63 0.64 2.96 -0.88 -1.17 118.68 121.72 1uaa s LEU 638 Ca 0.39 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1uaa s LEU 638 Cb 0.23 -2.02 0.18 0.00 0.50 0.00 0.00 46.19 45.07 1uaa s LEU 638 CO 0.31 0.29 0.48 -0.38 -1.32 0.00 0.00 176.35 175.73 1uaa n ILE 639 N 1.44 1.04 -1.66 6.68 5.41 -0.13 -4.92 119.36 127.22 1uaa n ILE 639 Ca -0.15 -4.57 -0.45 0.00 1.00 0.00 0.00 62.75 58.58 1uaa n ILE 639 Cb 0.53 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 37.37 1uaa n ILE 639 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1uaa n TRP 640 N 2.05 2.01 0.00 1.39 8.01 -1.26 -2.86 117.44 126.78 1uaa n TRP 640 Ca 0.23 0.50 0.00 0.00 -1.31 0.00 0.00 57.50 56.92 1uaa n TRP 640 Cb 0.39 -2.41 0.00 0.00 -2.01 0.00 0.00 31.31 27.27 1uaa n TRP 640 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1uaa n GLU 641 N 1.63 0.00 0.00 -0.99 2.13 -1.01 -4.89 120.64 117.51 1uaa n GLU 641 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1uaa n GLU 641 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.03 1uaa n GLU 641 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72