#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 4.18 0.36 2.89 2.96 -1.26 -5.04 118.68 122.77 1uaa s LEU 3 Ca 0.00 0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.99 1uaa s LEU 3 Cb 0.00 -2.11 -0.10 0.00 0.50 0.00 0.00 46.19 44.48 1uaa s LEU 3 CO 0.00 0.37 1.31 0.54 -1.32 0.00 0.00 176.35 177.25 1uaa s ASN 4 N -1.18 6.60 0.13 3.68 6.03 -1.26 -4.65 114.94 124.28 1uaa s ASN 4 Ca 0.17 2.68 -0.17 0.00 -1.03 0.00 0.00 52.86 54.51 1uaa s ASN 4 Cb -0.12 -2.64 0.04 0.00 -3.03 0.00 0.00 41.25 35.50 1uaa s ASN 4 CO 0.06 -0.65 1.02 -2.65 -2.03 0.00 0.00 177.10 172.85 1uaa n PRO 5 N 0.54 -0.23 -0.07 3.55 -0.02 -1.26 -1.17 135.00 136.34 1uaa n PRO 5 Ca 0.01 1.01 -0.14 0.00 -2.02 0.00 0.00 63.50 62.36 1uaa n PRO 5 Cb 0.42 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.09 -0.50 -1.23 0.00 -1.90 0.29 103.07 98.64 1uaa h GLY 6 Ca 0.16 0.70 0.05 0.00 0.00 0.00 0.00 47.33 48.25 1uaa h GLY 6 CO -0.64 -0.19 -0.54 1.46 0.00 0.00 0.00 176.54 176.64 1uaa h GLN 7 N -0.47 -0.30 -0.55 4.80 4.20 -1.52 -0.27 115.11 120.99 1uaa h GLN 7 Ca 0.05 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.86 1uaa h GLN 7 Cb 0.61 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.35 1uaa h GLN 7 CO -0.49 -0.20 -0.43 1.96 -0.67 0.00 0.00 178.83 179.01 1uaa h GLN 8 N -0.31 -0.23 -0.14 1.46 4.20 0.45 0.42 115.11 120.97 1uaa h GLN 8 Ca 0.09 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1uaa h GLN 8 Cb 0.54 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1uaa h GLN 8 CO -0.63 -0.15 0.10 0.37 -0.67 0.00 0.00 178.83 177.84 1uaa h GLN 9 N -0.24 0.06 -0.15 1.46 4.15 0.90 0.26 115.11 121.55 1uaa h GLN 9 Ca 0.18 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1uaa h GLN 9 Cb 0.56 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1uaa h GLN 9 CO -0.67 0.04 0.08 0.00 -1.93 0.00 0.00 178.83 176.35 1uaa h ALA 10 N 1.92 0.20 -0.47 3.38 0.00 0.14 -2.01 119.26 122.43 1uaa h ALA 10 Ca 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1uaa h ALA 10 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1uaa h ALA 10 CO -0.01 -0.26 0.01 0.28 0.00 0.00 0.00 179.25 179.28 1uaa h VAL 11 N 0.13 1.26 -0.10 0.00 2.07 0.87 -3.21 116.25 117.28 1uaa h VAL 11 Ca 0.05 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.40 1uaa h VAL 11 Cb 0.10 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1uaa h VAL 11 CO -0.01 0.36 -0.51 1.05 0.02 0.00 0.00 177.57 178.49 1uaa h GLU 12 N 0.68 0.27 -6.02 1.57 9.09 -0.61 -3.42 114.58 116.15 1uaa h GLU 12 Ca 0.13 -0.16 -0.51 0.00 0.05 0.00 0.00 59.36 58.87 1uaa h GLU 12 Cb 0.50 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1uaa h GLU 12 CO 0.02 0.72 1.36 0.12 0.05 0.00 0.00 179.01 181.28 1uaa s PHE 13 N -3.96 1.64 -0.09 2.06 2.19 -0.76 -4.74 117.98 114.32 1uaa s PHE 13 Ca -0.05 0.83 0.23 0.00 0.33 0.00 0.00 56.93 58.28 1uaa s PHE 13 Cb 0.13 -4.05 0.45 0.00 -1.31 0.00 0.00 43.02 38.24 1uaa s PHE 13 CO 0.79 -2.48 1.16 1.33 1.83 0.00 0.00 175.22 177.85 1uaa n VAL 14 N 7.34 0.57 0.45 3.12 0.24 -1.26 -4.88 118.33 123.91 1uaa n VAL 14 Ca 0.23 -1.74 0.06 0.00 -2.04 0.00 0.00 64.34 60.85 1uaa n VAL 14 Cb 0.51 0.89 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 1uaa n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1uaa n THR 15 N 0.07 0.00 -1.84 3.34 -1.04 -1.26 -4.97 114.28 108.57 1uaa n THR 15 Ca 0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1uaa n THR 15 Cb 1.02 0.86 0.00 0.00 -1.82 0.00 0.00 70.33 70.39 1uaa n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uaa n GLY 16 N 1.38 2.45 3.61 3.41 0.00 -1.26 -4.81 105.19 109.95 1uaa n GLY 16 Ca 0.01 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1uaa n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uaa s PRO 17 N 1.47 3.49 0.02 1.61 0.04 -0.80 -3.10 135.00 137.73 1uaa s PRO 17 Ca 0.00 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.54 1uaa s PRO 17 Cb 0.00 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 1uaa s PRO 17 CO 0.00 -1.67 -0.06 0.00 0.04 0.00 0.00 177.00 175.31 1uaa s LEU 19 N -1.07 1.78 -0.21 0.00 0.20 -1.19 -1.85 118.68 116.35 1uaa s LEU 19 Ca -0.07 -0.37 -0.05 0.00 0.69 0.00 0.00 54.13 54.33 1uaa s LEU 19 Cb -0.07 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 1uaa s LEU 19 CO 0.00 0.07 0.00 -0.69 -0.29 0.00 0.00 176.35 175.45 1uaa s VAL 20 N 0.54 3.93 -1.22 1.68 1.01 -0.72 0.46 120.40 126.08 1uaa s VAL 20 Ca -0.15 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1uaa s VAL 20 Cb -0.16 -2.79 0.20 0.00 0.00 0.00 0.00 36.38 33.64 1uaa s VAL 20 CO 0.05 0.42 1.91 -0.11 0.00 0.00 0.00 175.10 177.37 1uaa n LEU 21 N 4.35 7.04 -4.59 3.92 -0.00 0.64 -0.89 117.00 127.49 1uaa n LEU 21 Ca -0.17 -4.92 -0.41 0.00 -0.00 0.00 0.00 56.01 50.51 1uaa n LEU 21 Cb 0.52 -1.37 -0.03 0.00 -0.00 0.00 0.00 43.42 42.54 1uaa n LEU 21 CO 0.31 1.70 1.68 0.00 -0.00 0.00 0.00 177.39 181.08 1uaa s ALA 22 N -1.23 2.58 1.15 1.96 0.00 0.60 -3.66 121.76 123.15 1uaa s ALA 22 Ca 0.41 0.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 1uaa s ALA 22 Cb 0.12 -4.11 0.26 0.00 0.00 0.00 0.00 23.12 19.39 1uaa s ALA 22 CO -0.01 -3.08 1.05 0.20 0.00 0.00 0.00 175.76 173.92 1uaa s GLY 23 N 7.69 1.54 -0.62 0.00 0.00 -0.85 -4.53 107.32 110.56 1uaa s GLY 23 Ca 0.85 -0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.85 1uaa s GLY 23 CO 0.31 0.29 2.23 0.00 0.00 0.00 0.00 173.10 175.92 1uaa s ALA 24 N -2.73 1.59 0.00 3.20 0.00 -1.26 -0.98 121.76 121.58 1uaa s ALA 24 Ca 0.68 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1uaa s ALA 24 Cb -0.19 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1uaa s ALA 24 CO 0.60 -4.63 0.00 0.41 0.00 0.00 0.00 175.76 172.14 1uaa n GLY 25 N 6.16 1.94 0.17 0.00 0.00 -1.26 -4.75 105.19 107.44 1uaa n GLY 25 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 1uaa n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uaa n SER 26 N 0.00 -0.42 0.00 1.61 7.64 -0.15 -4.15 113.62 118.15 1uaa n SER 26 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1uaa n SER 26 Cb 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1uaa n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uaa n GLY 27 N -1.11 0.79 0.01 0.23 0.00 -1.26 -4.82 105.19 99.03 1uaa n GLY 27 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1uaa n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uaa n LYS 28 N 0.00 -0.01 -0.10 1.61 5.02 -1.26 -0.72 118.16 122.69 1uaa n LYS 28 Ca 0.00 0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1uaa n LYS 28 Cb 0.00 -0.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.93 1uaa n LYS 28 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1uaa h THR 29 N 0.00 1.17 -0.00 -0.18 1.35 -1.99 -2.40 112.91 110.85 1uaa h THR 29 Ca 0.01 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1uaa h THR 29 Cb 0.01 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1uaa h THR 29 CO -0.03 0.17 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.29 1uaa h ARG 30 N 0.38 -0.04 -0.90 4.72 2.43 -1.36 -0.03 114.38 119.58 1uaa h ARG 30 Ca 0.11 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 1uaa h ARG 30 Cb 0.14 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.56 1uaa h ARG 30 CO -0.01 -0.03 -0.44 0.28 -1.51 0.00 0.00 179.97 178.25 1uaa h VAL 31 N -0.04 0.03 0.02 0.20 2.07 -1.57 0.51 116.25 117.46 1uaa h VAL 31 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1uaa h VAL 31 Cb 0.05 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 1uaa h VAL 31 CO -0.02 0.00 -0.26 0.40 0.02 0.00 0.00 177.57 177.70 1uaa h ILE 32 N -0.05 0.40 -0.11 4.57 1.08 -0.96 1.51 117.51 123.96 1uaa h ILE 32 Ca 0.26 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.78 1uaa h ILE 32 Cb 0.54 0.40 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 1uaa h ILE 32 CO -0.90 0.00 -0.31 0.71 -0.69 0.00 0.00 178.15 176.95 1uaa h THR 33 N -0.42 0.30 -0.46 -0.27 1.35 0.97 0.14 112.91 114.52 1uaa h THR 33 Ca 0.06 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.00 1uaa h THR 33 Cb 0.49 0.30 -0.07 0.00 -1.73 0.00 0.00 68.15 67.14 1uaa h THR 33 CO -0.22 0.00 0.05 0.78 -0.25 0.00 0.00 175.52 175.89 1uaa h ASN 34 N -0.40 -0.08 -0.54 5.36 4.21 0.84 0.55 115.58 125.51 1uaa h ASN 34 Ca 0.09 0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 1uaa h ASN 34 Cb 0.54 0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 1uaa h ASN 34 CO -0.33 -0.01 0.29 0.50 -1.29 0.00 0.00 177.43 176.59 1uaa h LYS 35 N 0.17 0.79 -0.02 0.81 3.64 0.41 1.04 116.57 123.41 1uaa h LYS 35 Ca 0.23 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1uaa h LYS 35 Cb 0.32 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1uaa h LYS 35 CO -0.34 0.60 -0.03 -0.84 -2.27 0.00 0.00 179.45 176.57 1uaa h ILE 36 N 0.80 1.43 -0.35 2.00 3.07 0.17 0.46 117.51 125.08 1uaa h ILE 36 Ca 0.20 -1.31 0.07 0.00 1.55 0.00 0.00 64.86 65.38 1uaa h ILE 36 Cb 0.05 2.27 -0.08 0.00 -0.27 0.00 0.00 36.82 38.79 1uaa h ILE 36 CO -0.03 0.35 -0.29 0.00 -1.05 0.00 0.00 178.15 177.12 1uaa h ALA 37 N 0.47 -0.14 -0.48 0.16 0.00 0.11 -1.21 119.26 118.16 1uaa h ALA 37 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1uaa h ALA 37 Cb 0.58 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1uaa h ALA 37 CO 0.01 -0.70 0.27 1.25 0.00 0.00 0.00 179.25 180.08 1uaa h HIS 38 N -0.25 0.50 -0.61 0.00 -0.00 0.12 -0.98 115.15 113.93 1uaa h HIS 38 Ca 0.16 0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.68 1uaa h HIS 38 Cb 0.51 -0.15 -0.11 0.00 -0.00 0.00 0.00 27.41 27.66 1uaa h HIS 38 CO -0.49 0.27 -0.11 -0.07 -0.00 0.00 0.00 177.93 177.53 1uaa h LEU 39 N 0.53 -0.49 0.00 0.26 3.38 0.11 0.28 115.31 119.38 1uaa h LEU 39 Ca 0.20 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1uaa h LEU 39 Cb 0.07 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uaa h LEU 39 CO -0.12 -0.18 0.00 -0.38 0.09 0.00 0.00 178.44 177.85 1uaa n ILE 40 N -5.38 0.00 0.00 1.22 5.41 -0.69 -1.35 119.36 118.57 1uaa n ILE 40 Ca 0.07 1.24 0.00 0.00 1.00 0.00 0.00 62.75 65.06 1uaa n ILE 40 Cb 0.33 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 1uaa n ILE 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1uaa n ARG 41 N -1.63 0.00 0.22 0.38 5.12 -0.44 -0.19 116.66 120.12 1uaa n ARG 41 Ca 0.00 0.54 0.10 0.00 -1.93 0.00 0.00 57.85 56.56 1uaa n ARG 41 Cb 0.00 -1.40 0.46 0.00 -1.16 0.00 0.00 32.46 30.37 1uaa n ARG 41 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1uaa h GLY 42 N 0.00 0.00 -1.28 -0.13 0.00 -0.68 -3.22 103.07 97.76 1uaa h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uaa h GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1uaa n GLY 44 N 0.85 2.64 3.64 0.00 0.00 0.73 -4.91 105.19 108.14 1uaa n GLY 44 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 1.82 -2.94 1.61 4.01 -0.45 -4.90 117.16 114.32 1uaa n TYR 45 Ca 0.00 0.58 -0.42 0.00 -0.16 0.00 0.00 57.90 57.90 1uaa n TYR 45 Cb 0.00 -2.36 -0.05 0.00 -0.31 0.00 0.00 39.34 36.62 1uaa n TYR 45 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1uaa s GLN 46 N -1.15 3.86 0.05 -0.72 2.00 -1.26 -3.92 119.66 118.53 1uaa s GLN 46 Ca 0.62 0.47 -0.00 0.00 -2.00 0.00 0.00 55.36 54.45 1uaa s GLN 46 Cb -0.67 -3.77 0.11 0.00 0.80 0.00 0.00 33.01 29.48 1uaa s GLN 46 CO 0.56 -0.78 0.26 0.00 -0.50 0.00 0.00 175.29 174.84 1uaa n ALA 47 N 6.35 0.07 1.27 1.58 0.00 -1.26 0.16 120.51 128.68 1uaa n ALA 47 Ca 0.04 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.67 1uaa n ALA 47 Cb 0.48 -0.12 0.05 0.00 0.00 0.00 0.00 19.45 19.86 1uaa n ALA 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uaa n ARG 48 N -4.09 0.64 0.00 0.00 1.85 -1.25 -2.92 116.66 110.89 1uaa n ARG 48 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1uaa n ARG 48 Cb 0.11 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 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 -0.54 0.00 -4.15 2.89 8.25 0.42 -4.88 115.22 117.22 1uaa n HIS 49 Ca 0.01 -0.07 -0.32 0.00 -0.26 0.00 0.00 57.72 57.08 1uaa n HIS 49 Cb 0.01 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.15 4.42 -0.04 1.59 1.01 -1.15 -0.63 121.20 126.25 1uaa s ILE 50 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1uaa s ILE 50 Cb 0.00 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1uaa s ILE 50 CO 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 174.94 175.16 1uaa s ALA 51 N -1.23 0.65 -0.33 9.38 0.00 0.46 -3.03 121.76 127.66 1uaa s ALA 51 Ca 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1uaa s ALA 51 Cb -0.12 -0.38 0.08 0.00 0.00 0.00 0.00 23.12 22.70 1uaa s ALA 51 CO 0.15 0.01 0.04 0.00 0.00 0.00 0.00 175.76 175.96 1uaa s ALA 52 N 0.78 2.86 0.14 0.00 0.00 -0.71 -0.53 121.76 124.31 1uaa s ALA 52 Ca -0.10 -2.20 -0.10 0.00 0.00 0.00 0.00 51.96 49.56 1uaa s ALA 52 Cb -0.13 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 1uaa s ALA 52 CO 0.00 -1.51 0.46 0.08 0.00 0.00 0.00 175.76 174.79 1uaa s VAL 53 N 1.07 5.02 0.00 0.00 1.01 -0.01 -1.53 120.40 125.96 1uaa s VAL 53 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1uaa s VAL 53 Cb -0.20 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1uaa s VAL 53 CO -0.05 0.15 0.00 0.41 0.00 0.00 0.00 175.10 175.61 1uaa n THR 54 N 0.48 0.00 -0.07 3.92 -1.04 -0.30 -1.45 114.28 115.83 1uaa n THR 54 Ca -0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.88 1uaa n THR 54 Cb 0.52 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.96 1uaa n THR 54 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uaa n PHE 55 N 0.00 0.00 -4.34 -1.42 3.01 -1.26 -1.86 117.46 111.59 1uaa n PHE 55 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1uaa n PHE 55 Cb 0.00 -0.55 -0.11 0.00 -0.01 0.00 0.00 39.48 38.81 1uaa n PHE 55 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1uaa s THR 56 N -2.28 3.27 -1.13 4.37 -1.32 -1.26 -4.63 115.64 112.66 1uaa s THR 56 Ca -0.16 -1.20 0.05 0.00 -1.21 0.00 0.00 61.69 59.17 1uaa s THR 56 Cb 0.05 -2.49 0.06 0.00 -1.51 0.00 0.00 72.50 68.61 1uaa s THR 56 CO 0.36 0.19 1.12 0.59 -2.21 0.00 0.00 174.62 174.67 1uaa n ASN 57 N 0.98 0.00 -0.02 8.08 5.03 -1.26 -2.47 115.26 125.60 1uaa n ASN 57 Ca -0.14 0.41 -0.00 0.00 0.87 0.00 0.00 54.58 55.72 1uaa n ASN 57 Cb 0.52 -0.44 -0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1uaa n ASN 57 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1uaa h LYS 58 N 0.00 0.00 -0.84 3.52 3.64 -1.98 -3.00 116.57 117.91 1uaa h LYS 58 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 1uaa h LYS 58 Cb 0.08 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.77 1uaa h LYS 58 CO 0.00 0.00 0.26 0.00 -2.27 0.00 0.00 179.45 177.44 1uaa h ALA 59 N -1.66 1.22 -0.23 5.00 0.00 -1.95 0.77 119.26 122.41 1uaa h ALA 59 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1uaa h ALA 59 Cb 0.04 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1uaa h ALA 59 CO 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 179.25 178.73 1uaa h ALA 60 N 1.71 0.05 0.27 0.00 0.00 -1.64 1.23 119.26 120.88 1uaa h ALA 60 Ca 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1uaa h ALA 60 Cb 0.98 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1uaa h ALA 60 CO -0.58 -0.54 -0.13 -0.09 0.00 0.00 0.00 179.25 177.91 1uaa h ARG 61 N -0.11 -0.35 -0.77 0.00 9.65 0.18 0.08 114.38 123.06 1uaa h ARG 61 Ca 0.13 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 1uaa h ARG 61 Cb 0.30 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 28.84 1uaa h ARG 61 CO -0.30 -0.17 -0.55 0.93 2.80 0.00 0.00 179.97 182.68 1uaa h GLU 62 N -0.44 -0.14 -0.00 0.20 3.07 0.17 0.12 114.58 117.55 1uaa h GLU 62 Ca -0.04 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1uaa h GLU 62 Cb 0.33 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1uaa h GLU 62 CO 0.06 -0.09 -0.16 1.98 -1.40 0.00 0.00 179.01 179.39 1uaa h MET 63 N -0.15 -0.26 -0.83 2.33 4.05 0.16 -1.15 114.93 119.09 1uaa h MET 63 Ca 0.15 0.02 0.20 0.00 -0.28 0.00 0.00 59.70 59.78 1uaa h MET 63 Cb 0.50 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 1uaa h MET 63 CO -0.81 -0.17 0.56 -0.22 0.23 0.00 0.00 176.91 176.50 1uaa h LYS 64 N -0.27 0.28 0.00 0.39 3.11 0.12 -1.07 116.57 119.14 1uaa h LYS 64 Ca 0.05 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1uaa h LYS 64 Cb 0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1uaa h LYS 64 CO -0.16 0.19 0.00 0.39 -2.81 0.00 0.00 179.45 177.06 1uaa n GLU 65 N -4.45 0.00 0.00 1.90 1.02 -0.09 -1.07 120.64 117.95 1uaa n GLU 65 Ca 0.17 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1uaa n GLU 65 Cb 0.70 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1uaa n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uaa n ARG 66 N -1.84 0.00 -0.25 3.49 3.00 -0.95 -0.76 116.66 119.36 1uaa n ARG 66 Ca 0.00 0.76 -0.05 0.00 -0.01 0.00 0.00 57.85 58.55 1uaa n ARG 66 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1uaa n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1uaa h VAL 67 N 0.00 0.11 -0.95 1.55 2.07 -1.32 1.13 116.25 118.84 1uaa h VAL 67 Ca 0.00 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.77 1uaa h VAL 67 Cb 0.00 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.83 1uaa h VAL 67 CO 0.00 0.00 0.65 1.23 0.02 0.00 0.00 177.57 179.47 1uaa h GLY 68 N -0.14 0.48 -0.12 2.17 0.00 0.72 0.13 103.07 106.32 1uaa h GLY 68 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1uaa h GLY 68 CO -0.76 -0.02 -0.04 0.61 0.00 0.00 0.00 176.54 176.33 1uaa n GLN 69 N -4.40 1.42 0.00 4.80 -0.00 0.39 -3.26 117.38 116.33 1uaa n GLN 69 Ca 0.20 -0.74 0.08 0.00 -0.00 0.00 0.00 57.00 56.54 1uaa n GLN 69 Cb 0.89 -1.48 -0.07 0.00 -0.00 0.00 0.00 30.24 29.58 1uaa n GLN 69 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1uaa n THR 70 N -0.14 0.00 -4.30 -0.39 5.66 0.42 -4.95 114.28 110.58 1uaa n THR 70 Ca 0.18 -0.17 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 1uaa n THR 70 Cb 0.32 1.06 -0.05 0.00 -1.55 0.00 0.00 70.33 70.11 1uaa n THR 70 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1uaa n LEU 71 N -1.01 0.00 -4.49 1.09 4.77 -0.97 -5.11 117.00 111.27 1uaa n LEU 71 Ca 0.04 -2.09 -0.24 0.00 -0.03 0.00 0.00 56.01 53.69 1uaa n LEU 71 Cb 0.30 0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 42.08 1uaa n LEU 71 CO 0.31 -0.33 -0.46 -0.83 -1.33 0.00 0.00 177.39 174.75 1uaa s GLY 72 N -2.64 1.82 0.28 -0.72 0.00 -1.26 -4.75 107.32 100.05 1uaa s GLY 72 Ca 0.17 -1.78 0.22 0.00 0.00 0.00 0.00 44.72 43.33 1uaa s GLY 72 CO 0.12 -1.86 0.95 0.54 0.00 0.00 0.00 173.10 172.86 1uaa n ARG 73 N -0.48 -0.02 0.00 2.90 1.74 -1.26 0.15 116.66 119.68 1uaa n ARG 73 Ca -0.07 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1uaa n ARG 73 Cb 0.59 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1uaa n ARG 73 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1uaa n LYS 74 N -3.75 0.00 0.02 5.56 2.85 -1.26 -1.93 118.16 119.64 1uaa n LYS 74 Ca 0.25 0.34 -0.10 0.00 -1.05 0.00 0.00 58.31 57.75 1uaa n LYS 74 Cb 1.02 -1.07 0.04 0.00 -0.65 0.00 0.00 35.03 34.37 1uaa n LYS 74 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1uaa h GLU 75 N 0.00 0.53 0.00 -1.58 5.08 -0.84 -3.35 114.58 114.41 1uaa h GLU 75 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1uaa h GLU 75 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1uaa h GLU 75 CO 0.00 0.97 0.00 0.00 -1.00 0.00 0.00 179.01 178.98 1uaa n ALA 76 N -2.52 -0.03 0.20 3.43 0.00 0.38 -3.52 120.51 118.45 1uaa n ALA 76 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1uaa n ALA 76 Cb 0.63 0.02 0.52 0.00 0.00 0.00 0.00 19.45 20.62 1uaa n ALA 76 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1uaa h ARG 77 N 0.00 0.00 -1.01 0.00 2.43 -1.59 -2.57 114.38 111.65 1uaa h ARG 77 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1uaa h ARG 77 Cb 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 29.26 1uaa h ARG 77 CO 0.00 0.00 0.65 0.41 -1.51 0.00 0.00 179.97 179.52 1uaa n GLY 78 N -1.26 4.51 3.37 2.80 0.00 -1.23 -4.90 105.19 108.47 1uaa n GLY 78 Ca -0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1uaa n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uaa s LEU 79 N -3.18 2.29 -1.34 0.99 2.96 -0.97 -3.80 118.68 115.63 1uaa s LEU 79 Ca 0.55 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1uaa s LEU 79 Cb 0.46 -1.19 0.12 0.00 0.50 0.00 0.00 46.19 46.08 1uaa s LEU 79 CO 0.09 0.18 1.97 0.23 -1.32 0.00 0.00 176.35 177.50 1uaa n MET 80 N 1.09 3.35 -3.72 1.98 2.81 -1.17 -4.95 117.12 116.51 1uaa n MET 80 Ca -0.18 -3.24 -0.35 0.00 -1.81 0.00 0.00 57.70 52.12 1uaa n MET 80 Cb 0.53 -3.06 -0.08 0.00 -0.71 0.00 0.00 33.22 29.90 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 1.44 5.41 0.17 2.02 1.09 -1.26 -1.73 121.20 128.34 1uaa s ILE 81 Ca 0.42 0.24 -0.24 0.00 -1.10 0.00 0.00 60.65 59.97 1uaa s ILE 81 Cb 0.10 -3.48 0.07 0.00 -1.06 0.00 0.00 42.46 38.09 1uaa s ILE 81 CO -0.02 0.45 0.99 -0.94 -0.10 0.00 0.00 174.94 175.32 1uaa s SER 82 N 0.21 -0.10 0.89 3.58 1.04 -0.58 -4.95 113.70 113.78 1uaa s SER 82 Ca 0.10 -0.52 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 1uaa s SER 82 Cb -0.11 0.50 0.16 0.00 0.10 0.00 0.00 66.02 66.67 1uaa s SER 82 CO -0.01 -0.95 1.24 0.28 0.98 0.00 0.00 173.24 174.78 1uaa s THR 83 N -2.84 2.04 0.00 2.02 -1.32 -1.26 -1.15 115.64 113.13 1uaa s THR 83 Ca 0.16 -0.11 -0.24 0.00 -1.21 0.00 0.00 61.69 60.29 1uaa s THR 83 Cb -0.02 -2.93 -0.15 0.00 -1.51 0.00 0.00 72.50 67.90 1uaa s THR 83 CO 0.03 0.00 1.07 -0.26 -2.21 0.00 0.00 174.62 173.26 1uaa h PHE 84 N -1.33 -0.62 -0.51 9.09 0.04 -1.63 -2.86 116.94 119.12 1uaa h PHE 84 Ca -0.43 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.42 1uaa h PHE 84 Cb 1.26 0.20 -0.10 0.00 2.20 0.00 0.00 35.95 39.51 1uaa h PHE 84 CO -0.73 -0.30 -0.18 0.45 -0.60 0.00 0.00 178.31 176.96 1uaa h HIS 85 N -1.04 -0.43 -0.56 -0.55 3.86 -1.91 0.75 115.15 115.27 1uaa h HIS 85 Ca -0.07 0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.30 1uaa h HIS 85 Cb 0.59 0.27 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 1uaa h HIS 85 CO 0.01 -0.27 0.08 1.79 0.86 0.00 0.00 177.93 180.40 1uaa h THR 86 N -0.06 0.63 0.93 2.45 1.35 -1.94 0.63 112.91 116.90 1uaa h THR 86 Ca 0.24 -0.07 -0.05 0.00 -0.55 0.00 0.00 66.41 65.99 1uaa h THR 86 Cb 0.43 0.40 0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1uaa h THR 86 CO -0.56 0.04 -0.44 0.25 -0.25 0.00 0.00 175.52 174.56 1uaa h LEU 87 N 0.21 -1.05 -0.97 3.87 5.85 -0.37 0.11 115.31 122.96 1uaa h LEU 87 Ca 0.29 0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.35 1uaa h LEU 87 Cb 0.44 0.27 -0.15 0.00 0.37 0.00 0.00 40.66 41.59 1uaa h LEU 87 CO -0.41 -0.72 0.45 1.23 -0.34 0.00 0.00 178.44 178.65 1uaa h GLY 88 N -1.30 1.86 0.70 3.75 0.00 0.15 0.60 103.07 108.84 1uaa h GLY 88 Ca -0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1uaa h GLY 88 CO 0.21 -0.50 -0.25 -2.00 0.00 0.00 0.00 176.54 174.00 1uaa h LEU 89 N 0.24 -0.60 -0.61 3.11 5.85 0.51 -2.24 115.31 121.57 1uaa h LEU 89 Ca 0.69 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.48 1uaa h LEU 89 Cb 1.57 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 42.64 1uaa h LEU 89 CO -0.66 -0.23 -0.17 -0.78 -0.34 0.00 0.00 178.44 176.26 1uaa h ASP 90 N -1.01 -0.61 -0.51 1.25 3.58 0.20 0.30 116.42 119.61 1uaa h ASP 90 Ca -0.07 0.19 0.10 0.00 0.42 0.00 0.00 57.03 57.67 1uaa h ASP 90 Cb 0.62 0.39 -0.10 0.00 1.72 0.00 0.00 39.33 41.96 1uaa h ASP 90 CO 0.12 -0.21 -0.23 0.40 -2.88 0.00 0.00 179.24 176.43 1uaa h ILE 91 N -0.01 0.32 0.00 2.25 5.03 0.20 0.21 117.51 125.50 1uaa h ILE 91 Ca 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.03 1uaa h ILE 91 Cb 0.46 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 1uaa h ILE 91 CO -0.64 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 176.45 1uaa n ILE 92 N -5.41 0.00 0.00 -0.67 2.08 0.72 -1.71 119.36 114.36 1uaa n ILE 92 Ca 0.04 1.47 0.00 0.00 0.56 0.00 0.00 62.75 64.82 1uaa n ILE 92 Cb 0.32 -2.23 0.00 0.00 -0.75 0.00 0.00 39.64 36.99 1uaa n ILE 92 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1uaa n LYS 93 N -2.39 0.00 -0.38 0.38 4.76 0.60 -1.47 118.16 119.66 1uaa n LYS 93 Ca 0.00 0.91 -0.06 0.00 -2.87 0.00 0.00 58.31 56.29 1uaa n LYS 93 Cb 0.00 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 1uaa n LYS 93 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1uaa h ARG 94 N 0.00 -0.03 0.00 1.97 2.43 -0.64 0.58 114.38 118.70 1uaa h ARG 94 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uaa h ARG 94 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1uaa h ARG 94 CO 0.00 -0.02 0.00 -1.91 -1.51 0.00 0.00 179.97 176.53 1uaa n GLU 95 N -5.36 0.44 0.13 0.20 4.07 -0.70 -0.61 120.64 118.81 1uaa n GLU 95 Ca 0.05 0.04 -0.21 0.00 -0.06 0.00 0.00 57.16 56.99 1uaa n GLU 95 Cb 0.33 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.06 1uaa n GLU 95 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 1uaa h TYR 96 N 0.00 0.76 -0.55 4.31 -1.99 0.13 -3.12 116.97 116.51 1uaa h TYR 96 Ca 0.00 -0.55 -0.09 0.00 2.00 0.00 0.00 58.73 60.09 1uaa h TYR 96 Cb 0.18 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1uaa h TYR 96 CO 0.00 1.43 -0.02 0.00 -0.00 0.00 0.00 178.16 179.57 1uaa h ALA 97 N 0.36 0.94 -0.19 3.88 0.00 0.31 0.64 119.26 125.20 1uaa h ALA 97 Ca -0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1uaa h ALA 97 Cb 2.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1uaa h ALA 97 CO 0.24 0.64 0.02 0.00 0.00 0.00 0.00 179.25 180.15 1uaa h ALA 98 N 1.10 1.70 0.00 0.00 0.00 -1.49 0.64 119.26 121.21 1uaa h ALA 98 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uaa h ALA 98 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1uaa h ALA 98 CO 0.03 0.23 -0.35 -0.11 0.00 0.00 0.00 179.25 179.06 1uaa n LEU 99 N -4.40 0.36 -3.41 0.00 7.94 -0.80 -4.97 117.00 111.72 1uaa n LEU 99 Ca -0.00 0.18 -0.23 0.00 -1.11 0.00 0.00 56.01 54.85 1uaa n LEU 99 Cb 0.16 -0.32 0.08 0.00 0.53 0.00 0.00 43.42 43.86 1uaa n LEU 99 CO 0.36 0.07 0.23 0.61 -1.11 0.00 0.00 177.39 177.56 1uaa n GLY 100 N 1.49 -0.46 3.86 -3.96 0.00 0.22 -5.03 105.19 101.32 1uaa n GLY 100 Ca 0.06 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1uaa n GLY 100 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uaa s MET 101 N -6.24 2.94 -0.40 1.61 -1.94 0.24 -4.97 119.30 110.54 1uaa s MET 101 Ca 0.55 -1.09 -0.25 0.00 -1.71 0.00 0.00 55.69 53.20 1uaa s MET 101 Cb -0.24 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.02 1uaa s MET 101 CO 0.68 0.28 0.87 0.21 -0.01 0.00 0.00 175.02 177.05 1uaa s LYS 102 N -3.93 3.68 -1.05 2.03 2.20 -1.26 -4.58 119.74 116.82 1uaa s LYS 102 Ca 0.36 0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 56.09 1uaa s LYS 102 Cb -0.07 -3.85 0.11 0.00 -1.51 0.00 0.00 37.83 32.50 1uaa s LYS 102 CO 0.26 -1.02 1.36 0.00 -0.36 0.00 0.00 175.35 175.59 1uaa s ALA 103 N 3.43 3.27 -0.17 3.13 0.00 -1.26 -4.70 121.76 125.46 1uaa s ALA 103 Ca 0.35 -2.74 0.15 0.00 0.00 0.00 0.00 51.96 49.72 1uaa s ALA 103 Cb -0.12 -4.29 0.30 0.00 0.00 0.00 0.00 23.12 19.02 1uaa s ALA 103 CO 0.21 -3.18 1.19 0.27 0.00 0.00 0.00 175.76 174.25 1uaa n ASN 104 N 7.34 2.67 -3.13 0.00 2.04 -1.26 -5.05 115.26 117.87 1uaa n ASN 104 Ca 0.32 -2.84 -0.18 0.00 -0.44 0.00 0.00 54.58 51.44 1uaa n ASN 104 Cb 0.48 -0.38 0.17 0.00 -2.53 0.00 0.00 39.78 37.52 1uaa n ASN 104 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1uaa n PHE 105 N -0.97 -3.25 -4.37 -2.53 1.16 -1.26 -4.66 117.46 101.58 1uaa n PHE 105 Ca 0.14 -0.53 -0.22 0.00 -1.87 0.00 0.00 57.45 54.98 1uaa n PHE 105 Cb 0.62 -0.72 -0.16 0.00 -1.61 0.00 0.00 39.48 37.61 1uaa n PHE 105 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1uaa s SER 106 N -2.89 1.29 -0.31 5.98 0.01 -0.95 -4.94 113.70 111.89 1uaa s SER 106 Ca 0.41 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.18 1uaa s SER 106 Cb -0.06 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.61 1uaa s SER 106 CO 0.33 0.00 1.08 -0.76 0.41 0.00 0.00 173.24 174.31 1uaa s LEU 107 N 0.69 3.95 -0.88 2.44 2.01 -1.26 -0.43 118.68 125.20 1uaa s LEU 107 Ca -0.12 1.10 -0.20 0.00 0.01 0.00 0.00 54.13 54.93 1uaa s LEU 107 Cb -0.14 -3.54 0.11 0.00 0.01 0.00 0.00 46.19 42.63 1uaa s LEU 107 CO 0.02 -0.86 1.11 -0.36 1.01 0.00 0.00 176.35 177.26 1uaa s PHE 108 N 3.63 3.00 0.17 0.29 0.40 -0.12 -4.95 117.98 120.40 1uaa s PHE 108 Ca 0.46 -1.20 -0.34 0.00 -0.60 0.00 0.00 56.93 55.25 1uaa s PHE 108 Cb -0.13 -4.30 -0.14 0.00 0.51 0.00 0.00 43.02 38.96 1uaa s PHE 108 CO 0.15 -1.54 1.55 -3.47 0.70 0.00 0.00 175.22 172.60 1uaa n ASP 109 N 6.88 2.99 -0.17 1.36 2.03 -1.26 -4.24 116.55 124.14 1uaa n ASP 109 Ca 0.19 1.09 0.08 0.00 0.52 0.00 0.00 54.79 56.66 1uaa n ASP 109 Cb 0.48 -1.42 0.15 0.00 -0.72 0.00 0.00 41.12 39.62 1uaa n ASP 109 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1uaa n ASP 110 N 3.23 -0.05 0.17 1.67 5.75 -1.26 0.69 116.55 126.75 1uaa n ASP 110 Ca 0.16 0.83 -0.15 0.00 -0.01 0.00 0.00 54.79 55.62 1uaa n ASP 110 Cb 0.29 -0.31 -0.08 0.00 -1.03 0.00 0.00 41.12 39.99 1uaa n ASP 110 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1uaa h THR 111 N 0.00 0.17 -1.05 2.12 1.35 -1.99 0.34 112.91 113.84 1uaa h THR 111 Ca 0.30 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.44 1uaa h THR 111 Cb 0.63 0.17 -0.11 0.00 -1.73 0.00 0.00 68.15 67.11 1uaa h THR 111 CO -0.46 0.00 0.66 0.44 -0.25 0.00 0.00 175.52 175.91 1uaa h ASP 112 N -0.73 0.49 0.37 5.36 3.32 -0.07 -1.25 116.42 123.92 1uaa h ASP 112 Ca -0.00 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1uaa h ASP 112 Cb 0.71 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1uaa h ASP 112 CO -0.17 0.05 -0.18 -0.61 -1.72 0.00 0.00 179.24 176.61 1uaa h GLN 113 N 0.41 -0.48 -0.92 3.56 4.15 0.07 -2.79 115.11 119.12 1uaa h GLN 113 Ca 0.64 0.03 0.13 0.00 0.77 0.00 0.00 58.65 60.22 1uaa h GLN 113 Cb 1.55 0.11 -0.14 0.00 0.21 0.00 0.00 27.48 29.20 1uaa h GLN 113 CO -0.38 -0.32 -0.43 1.25 -1.93 0.00 0.00 178.83 177.02 1uaa h LEU 114 N -0.64 -1.57 -0.00 -2.39 6.46 0.70 -1.55 115.31 116.31 1uaa h LEU 114 Ca -0.05 0.30 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1uaa h LEU 114 Cb 0.38 0.78 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 1uaa h LEU 114 CO 0.08 -0.28 -0.53 0.00 -0.62 0.00 0.00 178.44 177.09 1uaa h ALA 115 N 1.08 -0.95 -0.92 1.25 0.00 -1.45 0.33 119.26 118.61 1uaa h ALA 115 Ca 0.28 -0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.37 1uaa h ALA 115 Cb 0.55 0.95 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 1uaa h ALA 115 CO -0.92 -1.11 0.27 1.25 0.00 0.00 0.00 179.25 178.75 1uaa h LEU 116 N -0.66 0.02 0.82 0.00 5.85 -1.03 0.90 115.31 121.21 1uaa h LEU 116 Ca 0.01 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1uaa h LEU 116 Cb 0.71 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.04 1uaa h LEU 116 CO -0.36 -0.21 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.07 1uaa h LEU 117 N 0.17 -0.93 -0.85 2.25 -0.00 -0.18 0.52 115.31 116.29 1uaa h LEU 117 Ca 0.61 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.62 1uaa h LEU 117 Cb 1.31 0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 42.10 1uaa h LEU 117 CO -0.70 -0.66 -0.44 0.29 -0.00 0.00 0.00 178.44 176.92 1uaa n LYS 118 N -5.56 -0.32 0.38 1.13 5.02 0.30 0.26 118.16 119.37 1uaa n LYS 118 Ca -0.15 1.28 -0.16 0.00 -2.02 0.00 0.00 58.31 57.26 1uaa n LYS 118 Cb 0.44 -1.89 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1uaa n LYS 118 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1uaa h GLU 119 N 0.00 -0.98 0.00 1.97 4.11 -0.88 -0.16 114.58 118.64 1uaa h GLU 119 Ca 0.19 0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1uaa h GLU 119 Cb 0.40 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1uaa h GLU 119 CO -0.81 -0.65 0.11 1.28 0.07 0.00 0.00 179.01 179.01 1uaa n LEU 120 N -4.87 0.05 -3.21 3.06 4.77 0.14 -2.33 117.00 114.61 1uaa n LEU 120 Ca -0.13 0.42 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 1uaa n LEU 120 Cb 0.41 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1uaa n LEU 120 CO 0.30 -0.44 -0.10 0.35 -1.33 0.00 0.00 177.39 176.17 1uaa n THR 121 N -1.47 0.95 0.00 -5.08 -2.24 0.72 -4.99 114.28 102.18 1uaa n THR 121 Ca -0.00 -4.76 0.00 0.00 -2.27 0.00 0.00 64.05 57.02 1uaa n THR 121 Cb 0.12 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1uaa n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uaa n GLU 122 N 0.70 0.00 0.26 -0.78 -0.58 -0.98 -4.00 120.64 115.25 1uaa n GLU 122 Ca 0.26 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.16 1uaa n GLU 122 Cb 0.50 0.00 0.76 0.00 -0.57 0.00 0.00 31.44 32.13 1uaa n GLU 122 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1uaa h GLY 123 N 0.00 0.00 0.71 0.62 0.00 -1.92 0.69 103.07 103.17 1uaa h GLY 123 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1uaa h GLY 123 CO 0.00 0.00 -0.05 0.17 0.00 0.00 0.00 176.54 176.66 1uaa h LEU 124 N 0.00 0.24 -7.96 3.11 -0.00 -1.94 -3.45 115.31 105.31 1uaa h LEU 124 Ca 0.06 -0.40 -0.34 0.00 -0.00 0.00 0.00 57.88 57.20 1uaa h LEU 124 Cb 0.86 -0.07 -0.28 0.00 -0.00 0.00 0.00 40.66 41.18 1uaa h LEU 124 CO -0.00 0.59 -0.76 -0.51 -0.00 0.00 0.00 178.44 177.76 1uaa s ILE 125 N -4.60 0.49 -0.48 0.15 1.10 0.23 -5.09 121.20 113.00 1uaa s ILE 125 Ca -0.15 -0.34 -0.41 0.00 -0.51 0.00 0.00 60.65 59.24 1uaa s ILE 125 Cb 0.05 -0.43 -0.17 0.00 0.15 0.00 0.00 42.46 42.05 1uaa s ILE 125 CO 0.72 0.09 2.17 -0.62 -2.11 0.00 0.00 174.94 175.19 1uaa n GLU 126 N 2.79 0.27 -1.07 3.50 1.02 -1.26 -4.59 120.64 121.29 1uaa n GLU 126 Ca -0.14 0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 1uaa n GLU 126 Cb 0.58 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1uaa n GLU 126 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1uaa n ASP 127 N 8.23 -0.17 -3.83 1.62 -0.08 -1.26 -4.78 116.55 116.28 1uaa n ASP 127 Ca 0.52 -1.78 -0.12 0.00 -1.51 0.00 0.00 54.79 51.90 1uaa n ASP 127 Cb 0.03 -0.80 -0.12 0.00 2.34 0.00 0.00 41.12 42.57 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 4.67 -0.12 0.00 1.67 2.15 -1.26 -5.09 116.67 118.68 1uaa s ASP 128 Ca 0.39 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1uaa s ASP 128 Cb 0.02 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1uaa s ASP 128 CO 0.13 -0.08 0.36 2.29 -0.17 0.00 0.00 175.17 177.70 1uaa n LYS 129 N 2.84 0.00 -0.41 4.34 2.85 -1.26 -1.29 118.16 125.23 1uaa n LYS 129 Ca -0.14 0.12 0.32 0.00 -1.05 0.00 0.00 58.31 57.56 1uaa n LYS 129 Cb 0.59 -0.86 0.50 0.00 -0.65 0.00 0.00 35.03 34.61 1uaa n LYS 129 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1uaa n VAL 130 N -0.48 -0.06 0.05 0.58 0.24 -1.26 0.13 118.33 117.53 1uaa n VAL 130 Ca 0.00 1.04 -0.02 0.00 -2.04 0.00 0.00 64.34 63.32 1uaa n VAL 130 Cb 0.00 -1.72 -0.01 0.00 -1.47 0.00 0.00 33.84 30.64 1uaa n VAL 130 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1uaa h LEU 131 N 0.00 -0.11 -0.88 1.34 -0.00 -1.85 -3.12 115.31 110.70 1uaa h LEU 131 Ca 0.60 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.65 1uaa h LEU 131 Cb 2.24 0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 42.77 1uaa h LEU 131 CO -0.11 -0.03 -0.25 0.18 -0.00 0.00 0.00 178.44 178.23 1uaa n LEU 132 N -2.62 -0.38 -0.04 1.67 7.99 0.34 -0.77 117.00 123.18 1uaa n LEU 132 Ca -0.02 1.52 -0.02 0.00 -0.01 0.00 0.00 56.01 57.48 1uaa n LEU 132 Cb 0.05 -0.43 -0.02 0.00 -0.11 0.00 0.00 43.42 42.91 1uaa n LEU 132 CO 0.04 -1.43 0.50 -0.61 -1.51 0.00 0.00 177.39 174.37 1uaa h GLN 133 N 0.00 -0.04 -0.75 3.23 5.75 -1.45 1.05 115.11 122.90 1uaa h GLN 133 Ca 0.39 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 59.05 1uaa h GLN 133 Cb 0.61 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.03 1uaa h GLN 133 CO -0.90 -0.03 -0.17 1.96 -2.65 0.00 0.00 178.83 177.04 1uaa h GLN 134 N -0.04 0.01 -0.11 1.69 1.08 -0.88 0.40 115.11 117.25 1uaa h GLN 134 Ca 0.02 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1uaa h GLN 134 Cb 0.09 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 1uaa h GLN 134 CO -0.13 0.00 -0.43 1.25 -0.95 0.00 0.00 178.83 178.57 1uaa h LEU 135 N 0.01 -1.36 0.00 1.46 5.85 0.67 0.56 115.31 122.51 1uaa h LEU 135 Ca 0.36 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1uaa h LEU 135 Cb 0.56 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1uaa h LEU 135 CO -0.76 -0.44 -0.01 0.40 -0.34 0.00 0.00 178.44 177.28 1uaa h ILE 136 N -0.51 0.00 -0.15 4.05 2.04 0.49 0.66 117.51 124.09 1uaa h ILE 136 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1uaa h ILE 136 Cb 0.64 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1uaa h ILE 136 CO -0.39 0.00 -0.12 0.28 0.00 0.00 0.00 178.15 177.92 1uaa h SER 137 N -0.02 -0.41 -1.39 1.72 0.02 -0.46 0.54 113.55 113.55 1uaa h SER 137 Ca -0.00 0.06 0.41 0.00 -0.84 0.00 0.00 61.79 61.41 1uaa h SER 137 Cb 0.02 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 1uaa h SER 137 CO -0.01 -0.06 0.97 0.71 -1.14 0.00 0.00 176.83 177.30 1uaa h THR 138 N -0.04 0.28 -0.01 -2.27 1.35 0.13 0.90 112.91 113.25 1uaa h THR 138 Ca 0.02 -0.02 -0.11 0.00 -0.55 0.00 0.00 66.41 65.76 1uaa h THR 138 Cb 0.10 0.21 0.01 0.00 -1.73 0.00 0.00 68.15 66.73 1uaa h THR 138 CO -0.16 0.01 -0.41 -0.29 -0.25 0.00 0.00 175.52 174.43 1uaa h ILE 139 N 0.07 1.48 0.00 6.82 2.10 0.21 -3.02 117.51 125.17 1uaa h ILE 139 Ca 0.70 -1.97 0.00 0.00 1.08 0.00 0.00 64.86 64.67 1uaa h ILE 139 Cb 2.60 2.64 0.00 0.00 -1.09 0.00 0.00 36.82 40.96 1uaa h ILE 139 CO -0.11 0.56 0.00 -1.54 -1.08 0.00 0.00 178.15 175.98 1uaa n SER 140 N -4.37 0.00 -0.09 2.19 3.41 0.30 -2.51 113.62 112.54 1uaa n SER 140 Ca -0.10 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1uaa n SER 140 Cb 0.57 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 1uaa n SER 140 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uaa n ASN 141 N -1.23 1.99 0.25 4.04 3.02 -0.57 -2.26 115.26 120.50 1uaa n ASN 141 Ca 0.02 -0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.59 1uaa n ASN 141 Cb 0.02 0.11 0.66 0.00 -0.61 0.00 0.00 39.78 39.96 1uaa n ASN 141 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1uaa h TRP 142 N 0.00 0.00 0.32 3.10 6.55 -1.37 0.19 115.95 124.74 1uaa h TRP 142 Ca -0.44 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.39 1uaa h TRP 142 Cb 1.79 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.09 1uaa h TRP 142 CO 0.01 0.10 -0.15 0.87 -1.05 0.00 0.00 178.44 178.22 1uaa h LYS 143 N 0.00 -0.41 0.00 0.49 1.57 -1.63 0.25 116.57 116.83 1uaa h LYS 143 Ca -0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uaa h LYS 143 Cb 0.21 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1uaa h LYS 143 CO 0.01 -0.28 0.00 0.09 -0.57 0.00 0.00 179.45 178.71 1uaa n ASN 144 N -3.58 0.00 -1.27 0.86 5.03 -0.33 0.26 115.26 116.23 1uaa n ASN 144 Ca -0.05 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.36 1uaa n ASN 144 Cb 0.17 0.00 0.12 0.00 -1.02 0.00 0.00 39.78 39.05 1uaa n ASN 144 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1uaa n ASP 145 N -0.71 2.66 -3.52 6.41 2.03 0.53 -3.70 116.55 120.25 1uaa n ASP 145 Ca 0.00 -3.56 -0.18 0.00 0.52 0.00 0.00 54.79 51.56 1uaa n ASP 145 Cb 0.00 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 39.90 1uaa n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uaa n LEU 146 N -0.80 -0.55 -4.32 -2.67 -0.00 0.72 -4.89 117.00 104.49 1uaa n LEU 146 Ca 0.25 -0.74 -0.32 0.00 -0.00 0.00 0.00 56.01 55.21 1uaa n LEU 146 Cb 0.83 -0.92 -0.16 0.00 -0.00 0.00 0.00 43.42 43.18 1uaa n LEU 146 CO 0.11 0.25 -0.55 -0.54 -0.00 0.00 0.00 177.39 176.67 1uaa s LYS 147 N -5.45 2.41 0.75 1.47 -0.14 0.86 -5.03 119.74 114.60 1uaa s LYS 147 Ca 0.04 -0.88 -0.12 0.00 -1.36 0.00 0.00 55.97 53.66 1uaa s LYS 147 Cb -0.02 -2.17 0.05 0.00 -1.68 0.00 0.00 37.83 34.01 1uaa s LYS 147 CO 0.58 0.48 1.10 0.95 -0.76 0.00 0.00 175.35 177.70 1uaa s THR 148 N -0.40 3.24 -1.90 2.17 -4.23 -1.26 -4.33 115.64 108.93 1uaa s THR 148 Ca 0.04 0.45 0.16 0.00 -1.18 0.00 0.00 61.69 61.15 1uaa s THR 148 Cb -0.12 -2.93 0.42 0.00 1.34 0.00 0.00 72.50 71.21 1uaa s THR 148 CO 0.01 -0.48 1.37 0.09 -0.54 0.00 0.00 174.62 175.07 1uaa n PRO 149 N -3.26 0.45 -0.06 3.99 -0.08 -1.26 -1.47 135.00 133.31 1uaa n PRO 149 Ca 0.10 0.02 -0.10 0.00 -0.08 0.00 0.00 63.50 63.44 1uaa n PRO 149 Cb 0.53 -1.50 -0.03 0.00 -0.08 0.00 0.00 33.50 32.41 1uaa n PRO 149 CO 0.00 0.00 0.00 0.43 -0.08 0.00 0.00 175.50 175.85 1uaa n SER 150 N -1.05 1.59 0.33 0.58 7.64 -1.26 -4.05 113.62 117.40 1uaa n SER 150 Ca 0.11 0.26 0.21 0.00 1.01 0.00 0.00 58.87 60.46 1uaa n SER 150 Cb 0.07 -0.60 1.15 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.68 0.00 -0.00 1.43 7.50 -1.92 0.15 115.11 121.59 1uaa h GLN 151 Ca -0.12 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.86 1uaa h GLN 151 Cb 0.87 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.38 1uaa h GLN 151 CO -0.08 0.00 -0.79 0.00 -1.50 0.00 0.00 178.83 176.46 1uaa h ALA 152 N 2.00 0.68 0.00 3.87 0.00 -1.47 -1.02 119.26 123.32 1uaa h ALA 152 Ca -0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 1uaa h ALA 152 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1uaa h ALA 152 CO 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 179.25 179.92 1uaa h ALA 153 N 1.18 1.02 0.40 0.00 0.00 -0.85 -2.48 119.26 118.52 1uaa h ALA 153 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1uaa h ALA 153 Cb 1.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1uaa h ALA 153 CO 0.11 0.37 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1uaa h ALA 154 N 1.71 -0.53 0.00 0.00 0.00 -1.12 -3.15 119.26 116.16 1uaa h ALA 154 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1uaa h ALA 154 Cb 0.81 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1uaa h ALA 154 CO 0.04 -0.50 -0.15 0.45 0.00 0.00 0.00 179.25 179.09 1uaa n SER 155 N -5.13 3.93 -3.90 0.00 2.88 -0.42 -4.71 113.62 106.27 1uaa n SER 155 Ca -0.07 -2.21 -0.25 0.00 -1.33 0.00 0.00 58.87 55.00 1uaa n SER 155 Cb 0.23 -1.04 -0.17 0.00 -0.75 0.00 0.00 64.21 62.48 1uaa n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uaa s ALA 156 N 1.38 1.17 -0.20 -1.46 0.00 -0.96 -4.87 121.76 116.82 1uaa s ALA 156 Ca 0.44 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1uaa s ALA 156 Cb 0.21 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.61 1uaa s ALA 156 CO 0.00 -0.30 0.07 -1.50 0.00 0.00 0.00 175.76 174.03 1uaa s ILE 157 N 1.51 0.21 0.00 0.00 2.07 -1.26 -4.89 121.20 118.84 1uaa s ILE 157 Ca 0.00 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 1uaa s ILE 157 Cb -0.13 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1uaa s ILE 157 CO -0.05 -0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.26 1uaa n GLY 158 N 5.16 3.88 0.00 1.50 0.00 -1.26 -4.88 105.19 109.60 1uaa n GLY 158 Ca -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1uaa n GLY 158 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uaa n GLU 159 N -1.55 0.00 0.20 1.61 -0.58 -1.26 -1.99 120.64 117.08 1uaa n GLU 159 Ca 0.00 0.44 0.08 0.00 -0.42 0.00 0.00 57.16 57.26 1uaa n GLU 159 Cb 0.00 -1.13 0.43 0.00 -0.57 0.00 0.00 31.44 30.17 1uaa n GLU 159 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1uaa h ARG 160 N 0.00 0.00 0.02 3.49 1.12 -1.99 0.94 114.38 117.96 1uaa h ARG 160 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1uaa h ARG 160 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1uaa h ARG 160 CO 0.00 0.00 -0.01 -0.44 -3.11 0.00 0.00 179.97 176.41 1uaa h ASP 161 N 0.00 -0.02 0.25 -3.80 5.19 -1.90 -1.23 116.42 114.91 1uaa h ASP 161 Ca 0.00 -0.71 -0.00 0.00 -0.62 0.00 0.00 57.03 55.69 1uaa h ASP 161 Cb 0.68 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1uaa h ASP 161 CO 0.00 0.79 -0.02 0.08 -3.12 0.00 0.00 179.24 176.97 1uaa h ARG 162 N -0.93 0.00 0.59 3.56 -0.00 -0.21 0.69 114.38 118.09 1uaa h ARG 162 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 1uaa h ARG 162 Cb 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.71 1uaa h ARG 162 CO 0.00 0.02 -0.28 0.82 -0.00 0.00 0.00 179.97 180.53 1uaa h ILE 163 N 0.00 0.15 -0.47 0.08 2.04 -1.25 -2.45 117.51 115.61 1uaa h ILE 163 Ca -0.00 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.54 1uaa h ILE 163 Cb 0.15 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.34 1uaa h ILE 163 CO 0.00 0.02 -0.39 -0.26 0.00 0.00 0.00 178.15 177.53 1uaa h PHE 164 N -1.14 -1.11 -0.79 1.37 0.04 0.20 0.41 116.94 115.92 1uaa h PHE 164 Ca -0.08 0.07 0.18 0.00 2.80 0.00 0.00 57.97 60.94 1uaa h PHE 164 Cb 0.64 0.56 -0.14 0.00 2.20 0.00 0.00 35.95 39.21 1uaa h PHE 164 CO 0.01 -0.41 -0.05 0.00 -0.60 0.00 0.00 178.31 177.25 1uaa h ALA 165 N 0.64 0.75 0.64 2.45 0.00 -0.94 2.32 119.26 125.12 1uaa h ALA 165 Ca 0.17 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1uaa h ALA 165 Cb 0.56 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1uaa h ALA 165 CO -0.61 -0.43 -0.34 1.25 0.00 0.00 0.00 179.25 179.12 1uaa h HIS 166 N 0.06 -0.89 -1.09 0.00 -0.00 -0.29 0.55 115.15 113.49 1uaa h HIS 166 Ca 0.42 -0.02 0.33 0.00 -0.00 0.00 0.00 60.37 61.11 1uaa h HIS 166 Cb 0.74 0.30 -0.13 0.00 -0.00 0.00 0.00 27.41 28.32 1uaa h HIS 166 CO -0.49 -0.53 0.66 0.00 -0.00 0.00 0.00 177.93 177.58 1uaa h TYR 168 N 0.31 -1.18 -0.97 0.00 5.03 0.45 0.37 116.97 120.98 1uaa h TYR 168 Ca 0.71 -0.03 0.30 0.00 2.58 0.00 0.00 58.73 62.30 1uaa h TYR 168 Cb 1.80 0.39 -0.18 0.00 1.55 0.00 0.00 36.73 40.30 1uaa h TYR 168 CO -0.01 -0.72 0.14 0.41 -1.32 0.00 0.00 178.16 176.66 1uaa n GLY 169 N -1.63 -1.19 0.31 1.82 0.00 0.64 0.17 105.19 105.31 1uaa n GLY 169 Ca -0.16 0.92 -0.08 0.00 0.00 0.00 0.00 46.02 46.69 1uaa n GLY 169 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uaa h LEU 170 N 0.00 1.03 0.00 0.99 -0.00 -0.00 -1.08 115.31 116.25 1uaa h LEU 170 Ca 0.65 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1uaa h LEU 170 Cb 1.45 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1uaa h LEU 170 CO -0.88 1.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.60 1uaa n TYR 171 N -4.24 0.00 -0.40 1.13 4.19 0.45 -1.43 117.16 116.87 1uaa n TYR 171 Ca 0.04 0.00 0.32 0.00 3.31 0.00 0.00 57.90 61.56 1uaa n TYR 171 Cb 0.30 -0.35 0.60 0.00 0.49 0.00 0.00 39.34 40.38 1uaa n TYR 171 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1uaa h ASP 172 N 0.00 0.32 0.66 2.98 3.58 -1.21 0.12 116.42 122.86 1uaa h ASP 172 Ca 0.00 0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1uaa h ASP 172 Cb 0.00 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1uaa h ASP 172 CO 0.00 -0.11 -0.36 0.00 -2.88 0.00 0.00 179.24 175.89 1uaa h ALA 173 N 1.63 -0.95 -0.64 -0.78 0.00 -1.08 -1.70 119.26 115.74 1uaa h ALA 173 Ca 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1uaa h ALA 173 Cb 2.20 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 20.38 1uaa h ALA 173 CO -0.40 -1.05 0.37 1.25 0.00 0.00 0.00 179.25 179.43 1uaa h HIS 174 N -0.94 0.85 0.26 0.00 -0.00 0.38 -3.00 115.15 112.70 1uaa h HIS 174 Ca -0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1uaa h HIS 174 Cb 0.75 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1uaa h HIS 174 CO -0.07 0.59 -0.32 -0.07 -0.00 0.00 0.00 177.93 178.06 1uaa h LEU 175 N 0.86 -0.89 -1.78 0.26 -0.00 -1.20 -0.48 115.31 112.09 1uaa h LEU 175 Ca 0.23 0.08 0.38 0.00 -0.00 0.00 0.00 57.88 58.56 1uaa h LEU 175 Cb -0.00 0.30 -0.07 0.00 -0.00 0.00 0.00 40.66 40.88 1uaa h LEU 175 CO -0.04 -0.40 0.91 0.11 -0.00 0.00 0.00 178.44 179.02 1uaa h LYS 176 N -0.59 0.09 0.00 1.13 1.57 -1.35 0.71 116.57 118.13 1uaa h LYS 176 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1uaa h LYS 176 Cb 0.53 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1uaa h LYS 176 CO -0.07 0.06 -0.04 0.00 -0.57 0.00 0.00 179.45 178.83 1uaa h ALA 177 N 1.42 0.00 0.00 3.86 0.00 -1.24 -3.35 119.26 119.95 1uaa h ALA 177 Ca 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1uaa h ALA 177 Cb 2.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1uaa h ALA 177 CO -0.13 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1uaa n ASN 179 N -1.27 -6.01 -3.98 0.00 4.05 0.21 -4.94 115.26 103.32 1uaa n ASN 179 Ca 0.10 -0.16 -0.08 0.00 0.45 0.00 0.00 54.58 54.89 1uaa n ASN 179 Cb 0.15 -4.08 -0.09 0.00 1.23 0.00 0.00 39.78 36.99 1uaa n ASN 179 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1uaa s VAL 180 N -3.07 0.18 -0.06 3.44 0.11 -1.06 -2.25 120.40 117.70 1uaa s VAL 180 Ca 0.08 -1.45 -0.03 0.00 -2.93 0.00 0.00 61.98 57.65 1uaa s VAL 180 Cb -0.01 -1.34 0.03 0.00 -1.53 0.00 0.00 36.38 33.53 1uaa s VAL 180 CO 0.54 -0.80 0.13 -1.48 -3.33 0.00 0.00 175.10 170.16 1uaa s LEU 181 N -2.76 1.00 0.73 2.54 0.05 0.43 -4.41 118.68 116.26 1uaa s LEU 181 Ca 0.04 0.26 -0.12 0.00 0.05 0.00 0.00 54.13 54.37 1uaa s LEU 181 Cb 0.05 0.34 0.03 0.00 -2.05 0.00 0.00 46.19 44.56 1uaa s LEU 181 CO -0.09 -0.11 1.11 1.51 -0.55 0.00 0.00 176.35 178.21 1uaa s ASP 182 N 0.82 5.26 0.28 1.48 1.47 -1.26 -0.94 116.67 123.78 1uaa s ASP 182 Ca -0.06 1.11 0.01 0.00 1.18 0.00 0.00 52.55 54.78 1uaa s ASP 182 Cb -0.08 -1.86 0.64 0.00 -0.34 0.00 0.00 42.92 41.28 1uaa s ASP 182 CO -0.04 -1.46 1.68 -0.26 0.68 0.00 0.00 175.17 175.77 1uaa h PHE 183 N -0.74 0.44 -0.72 2.11 0.04 -1.97 0.26 116.94 116.38 1uaa h PHE 183 Ca -0.45 0.04 0.17 0.00 2.80 0.00 0.00 57.97 60.53 1uaa h PHE 183 Cb 1.26 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.31 1uaa h PHE 183 CO 0.48 -0.11 0.49 -0.44 -0.60 0.00 0.00 178.31 178.13 1uaa h ASP 184 N 0.30 0.23 0.27 2.17 5.19 -1.95 0.68 116.42 123.31 1uaa h ASP 184 Ca 0.52 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.92 1uaa h ASP 184 Cb 0.97 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 1uaa h ASP 184 CO -0.57 0.11 -0.09 0.44 -3.12 0.00 0.00 179.24 176.02 1uaa h ASP 185 N 0.24 0.00 0.00 6.45 3.32 -0.82 -1.05 116.42 124.56 1uaa h ASP 185 Ca 0.35 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 1uaa h ASP 185 Cb 1.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1uaa h ASP 185 CO -0.08 0.09 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.44 1uaa h LEU 186 N 0.00 0.07 0.04 1.55 3.38 0.31 -0.24 115.31 120.42 1uaa h LEU 186 Ca -0.00 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 1uaa h LEU 186 Cb 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1uaa h LEU 186 CO 0.01 0.11 -1.62 -0.38 0.09 0.00 0.00 178.44 176.65 1uaa n ILE 187 N -4.46 1.61 0.26 1.22 2.08 -0.45 -3.89 119.36 115.72 1uaa n ILE 187 Ca -0.02 -0.25 0.16 0.00 0.56 0.00 0.00 62.75 63.19 1uaa n ILE 187 Cb 0.14 -1.92 0.80 0.00 -0.75 0.00 0.00 39.64 37.90 1uaa n ILE 187 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1uaa h LEU 188 N -0.66 0.00 0.00 1.39 3.38 -1.28 -2.50 115.31 115.64 1uaa h LEU 188 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1uaa h LEU 188 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1uaa h LEU 188 CO -0.14 0.00 -0.13 0.25 0.09 0.00 0.00 178.44 178.51 1uaa h LEU 189 N 0.00 0.00 -0.08 1.67 7.12 -1.23 -3.12 115.31 119.67 1uaa h LEU 189 Ca 0.00 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.05 1uaa h LEU 189 Cb 0.10 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.17 1uaa h LEU 189 CO 0.00 0.50 -0.36 -0.65 -0.13 0.00 0.00 178.44 177.80 1uaa h PRO 190 N -0.88 -0.45 -0.93 5.25 0.11 -1.71 0.44 132.00 133.83 1uaa h PRO 190 Ca 0.00 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.23 1uaa h PRO 190 Cb 0.13 0.10 -0.12 0.00 0.11 0.00 0.00 31.00 31.23 1uaa h PRO 190 CO 0.00 -0.30 -0.53 0.25 -0.21 0.00 0.00 178.00 177.21 1uaa n THR 191 N -5.43 -0.62 0.41 -1.15 -2.24 -0.95 0.26 114.28 104.56 1uaa n THR 191 Ca -0.04 2.25 -0.19 0.00 -2.27 0.00 0.00 64.05 63.80 1uaa n THR 191 Cb 0.34 -2.79 -0.09 0.00 -2.10 0.00 0.00 70.33 65.69 1uaa n THR 191 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1uaa h LEU 192 N 0.00 -0.90 -0.98 3.22 3.38 -1.21 1.00 115.31 119.81 1uaa h LEU 192 Ca 0.17 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.49 1uaa h LEU 192 Cb 0.40 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.24 1uaa h LEU 192 CO -0.88 -0.63 0.49 0.25 0.09 0.00 0.00 178.44 177.76 1uaa h LEU 193 N -1.04 0.37 -0.07 1.67 7.12 0.36 -0.26 115.31 123.46 1uaa h LEU 193 Ca -0.10 0.20 -0.20 0.00 0.13 0.00 0.00 57.88 57.91 1uaa h LEU 193 Cb 0.80 0.19 0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1uaa h LEU 193 CO 0.16 -0.19 -0.74 -0.07 -0.13 0.00 0.00 178.44 177.48 1uaa h LEU 194 N 0.25 0.77 -0.01 2.25 4.07 0.45 -3.13 115.31 119.96 1uaa h LEU 194 Ca 0.71 -0.69 -0.16 0.00 0.08 0.00 0.00 57.88 57.83 1uaa h LEU 194 Cb 1.64 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 43.13 1uaa h LEU 194 CO -0.65 1.34 -0.74 0.06 -1.08 0.00 0.00 178.44 177.37 1uaa h GLN 195 N 0.26 0.00 0.00 1.13 -0.00 0.56 -3.31 115.11 113.75 1uaa h GLN 195 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.47 1uaa h GLN 195 Cb 1.40 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.86 1uaa h GLN 195 CO 0.15 0.74 -0.50 0.00 -0.00 0.00 0.00 178.83 179.23 1uaa h ALA 196 N 1.26 0.91 -4.31 0.06 0.00 -1.20 -3.44 119.26 112.53 1uaa h ALA 196 Ca -0.01 -0.45 -0.66 0.00 0.00 0.00 0.00 54.91 53.79 1uaa h ALA 196 Cb 1.57 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 19.01 1uaa h ALA 196 CO 0.10 0.62 -0.87 1.21 0.00 0.00 0.00 179.25 180.31 1uaa s ASN 197 N -6.57 2.94 -0.17 0.00 2.47 -1.18 -5.05 114.94 107.37 1uaa s ASN 197 Ca 0.00 -0.54 -0.08 0.00 0.42 0.00 0.00 52.86 52.67 1uaa s ASN 197 Cb 0.11 -0.28 -0.22 0.00 -1.45 0.00 0.00 41.25 39.41 1uaa s ASN 197 CO 0.72 0.25 0.18 -0.62 -3.72 0.00 0.00 177.10 173.91 1uaa n GLU 198 N 1.97 0.70 -0.25 0.43 -0.58 -1.26 -3.72 120.64 117.92 1uaa n GLU 198 Ca -0.17 0.29 0.02 0.00 -0.42 0.00 0.00 57.16 56.89 1uaa n GLU 198 Cb 0.52 -1.67 0.11 0.00 -0.57 0.00 0.00 31.44 29.83 1uaa n GLU 198 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1uaa h GLU 199 N -0.18 0.03 0.37 3.49 4.22 -1.97 -1.77 114.58 118.78 1uaa h GLU 199 Ca -0.46 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.96 1uaa h GLU 199 Cb 1.87 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1uaa h GLU 199 CO -0.03 0.02 -0.18 -0.24 -2.18 0.00 0.00 179.01 176.41 1uaa h VAL 200 N 0.03 0.50 -0.39 0.32 3.04 -1.93 -3.00 116.25 114.82 1uaa h VAL 200 Ca 0.37 -0.63 0.03 0.00 -1.01 0.00 0.00 66.70 65.47 1uaa h VAL 200 Cb 0.60 0.75 -0.05 0.00 -2.01 0.00 0.00 31.29 30.58 1uaa h VAL 200 CO -0.71 0.09 -0.23 -1.14 -1.01 0.00 0.00 177.57 174.57 1uaa n ARG 201 N -5.15 -0.17 -0.11 4.17 0.63 -0.73 0.18 116.66 115.48 1uaa n ARG 201 Ca -0.09 0.98 -0.09 0.00 -0.92 0.00 0.00 57.85 57.73 1uaa n ARG 201 Cb 0.28 -1.46 -0.03 0.00 0.45 0.00 0.00 32.46 31.70 1uaa n ARG 201 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1uaa h LYS 202 N 0.00 -0.30 -0.95 -0.14 1.57 -1.48 0.44 116.57 115.71 1uaa h LYS 202 Ca 0.06 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.12 1uaa h LYS 202 Cb 0.16 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 32.36 1uaa h LYS 202 CO -0.36 -0.20 -0.01 0.54 -0.57 0.00 0.00 179.45 178.84 1uaa n ARG 203 N -5.42 -0.08 0.10 3.15 1.74 0.13 0.12 116.66 116.40 1uaa n ARG 203 Ca -0.00 1.43 -0.18 0.00 -0.77 0.00 0.00 57.85 58.33 1uaa n ARG 203 Cb 0.35 -2.26 -0.12 0.00 -1.02 0.00 0.00 32.46 29.41 1uaa n ARG 203 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1uaa h TRP 204 N 0.00 0.71 -0.12 -1.55 4.06 0.70 -2.20 115.95 117.55 1uaa h TRP 204 Ca 0.56 -0.47 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1uaa h TRP 204 Cb 1.13 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1uaa h TRP 204 CO -0.52 1.34 0.10 0.37 -3.56 0.00 0.00 178.44 176.18 1uaa h GLN 205 N 0.16 0.00 0.00 0.49 4.15 0.50 0.35 115.11 120.77 1uaa h GLN 205 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1uaa h GLN 205 Cb 1.91 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.60 1uaa h GLN 205 CO 0.21 0.00 -1.08 -1.71 -1.93 0.00 0.00 178.83 174.32 1uaa n ASN 206 N -4.19 0.67 -0.07 -0.69 5.15 0.24 -4.27 115.26 112.09 1uaa n ASN 206 Ca -0.00 0.13 -0.09 0.00 -0.60 0.00 0.00 54.58 54.02 1uaa n ASN 206 Cb 0.22 0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 40.09 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 0.00 0.00 -5.20 1.20 3.64 -0.52 -3.40 116.57 112.28 1uaa h LYS 207 Ca 0.00 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.67 1uaa h LYS 207 Cb 0.90 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.58 1uaa h LYS 207 CO 0.00 0.43 1.68 0.42 -2.27 0.00 0.00 179.45 179.71 1uaa s ILE 208 N -2.08 4.66 0.27 2.00 1.01 -0.03 -4.44 121.20 122.59 1uaa s ILE 208 Ca -0.15 -2.32 0.19 0.00 0.00 0.00 0.00 60.65 58.37 1uaa s ILE 208 Cb 0.01 -5.02 0.16 0.00 0.01 0.00 0.00 42.46 37.62 1uaa s ILE 208 CO 0.34 -1.78 1.83 0.03 0.00 0.00 0.00 174.94 175.36 1uaa h ARG 209 N 7.37 0.00 -2.97 2.79 3.08 -1.06 -3.43 114.38 120.17 1uaa h ARG 209 Ca 0.36 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.23 1uaa h ARG 209 Cb 0.88 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.63 1uaa h ARG 209 CO 1.33 0.31 -0.47 -0.47 -1.07 0.00 0.00 179.97 179.60 1uaa s TYR 210 N -3.86 -0.37 0.05 3.04 5.04 -0.87 -4.78 117.35 115.59 1uaa s TYR 210 Ca -0.01 0.86 0.06 0.00 -2.44 0.00 0.00 57.07 55.53 1uaa s TYR 210 Cb 0.12 0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 1uaa s TYR 210 CO 0.67 -0.26 -0.16 -1.17 -1.34 0.00 0.00 175.55 173.29 1uaa s LEU 211 N 1.37 2.19 -0.01 6.97 2.96 -1.20 -0.40 118.68 130.56 1uaa s LEU 211 Ca -0.08 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1uaa s LEU 211 Cb -0.10 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 1uaa s LEU 211 CO -0.09 0.05 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.12 1uaa s LEU 212 N -1.28 2.01 -0.09 -0.68 1.02 0.31 -1.04 118.68 118.94 1uaa s LEU 212 Ca 0.03 -0.20 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 1uaa s LEU 212 Cb -0.08 -0.57 0.03 0.00 0.02 0.00 0.00 46.19 45.58 1uaa s LEU 212 CO 0.02 0.13 -0.04 -0.69 0.02 0.00 0.00 176.35 175.79 1uaa s VAL 213 N -0.25 0.71 0.91 -1.59 1.01 -1.18 -0.83 120.40 119.18 1uaa s VAL 213 Ca 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1uaa s VAL 213 Cb -0.04 -0.79 0.18 0.00 0.00 0.00 0.00 36.38 35.72 1uaa s VAL 213 CO -0.00 0.31 1.25 -0.62 0.00 0.00 0.00 175.10 176.04 1uaa s ASP 214 N 1.77 3.46 -1.04 3.32 2.15 -0.53 -1.10 116.67 124.69 1uaa s ASP 214 Ca 0.04 0.21 -0.10 0.00 0.43 0.00 0.00 52.55 53.13 1uaa s ASP 214 Cb -0.13 -0.36 0.01 0.00 -0.30 0.00 0.00 42.92 42.15 1uaa s ASP 214 CO -0.06 -2.50 0.20 -0.62 -0.17 0.00 0.00 175.17 172.01 1uaa n GLU 215 N -3.56 -0.74 0.23 4.34 4.71 -1.07 -4.77 120.64 119.78 1uaa n GLU 215 Ca 0.14 -0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.37 1uaa n GLU 215 Cb 0.60 -2.20 0.57 0.00 -1.01 0.00 0.00 31.44 29.40 1uaa n GLU 215 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 1uaa h TYR 216 N -1.09 0.00 0.00 -0.32 3.20 -1.19 -2.11 116.97 115.46 1uaa h TYR 216 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1uaa h TYR 216 Cb 1.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1uaa h TYR 216 CO 0.34 0.18 0.00 -0.56 -1.64 0.00 0.00 178.16 176.48 1uaa h GLN 217 N 0.00 0.00 0.00 1.82 -0.00 -1.87 -1.13 115.11 113.92 1uaa h GLN 217 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1uaa h GLN 217 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1uaa h GLN 217 CO 0.02 0.00 -0.61 -0.25 -0.00 0.00 0.00 178.83 177.99 1uaa n ASP 218 N -2.65 0.59 -4.63 0.06 8.00 -0.79 -4.61 116.55 112.53 1uaa n ASP 218 Ca -0.02 -0.36 -0.51 0.00 0.71 0.00 0.00 54.79 54.62 1uaa n ASP 218 Cb 0.07 0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.54 0.07 -3.09 -3.53 -1.04 -0.43 -4.50 114.28 100.22 1uaa n THR 219 Ca 0.05 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 1uaa n THR 219 Cb 0.34 -1.14 0.03 0.00 -1.82 0.00 0.00 70.33 67.75 1uaa n THR 219 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1uaa n ASN 220 N 3.33 1.24 0.01 8.00 0.23 -1.26 -2.25 115.26 124.56 1uaa n ASN 220 Ca 0.19 -1.86 -0.01 0.00 -0.53 0.00 0.00 54.58 52.37 1uaa n ASN 220 Cb 0.22 -0.21 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1uaa n ASN 220 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1uaa h THR 221 N 0.11 0.00 -0.73 5.53 2.02 -1.71 0.15 112.91 118.28 1uaa h THR 221 Ca -0.15 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.17 1uaa h THR 221 Cb 0.68 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.96 1uaa h THR 221 CO 0.22 0.00 -0.20 0.77 0.37 0.00 0.00 175.52 176.69 1uaa h SER 222 N -0.05 -0.72 0.00 4.18 4.64 -1.92 0.73 113.55 120.42 1uaa h SER 222 Ca -0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1uaa h SER 222 Cb 0.04 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1uaa h SER 222 CO -0.00 -0.25 0.00 1.67 -0.87 0.00 0.00 176.83 177.38 1uaa n GLN 223 N -5.49 0.00 -0.20 4.77 -0.06 -1.06 0.87 117.38 116.22 1uaa n GLN 223 Ca 0.10 0.82 -0.07 0.00 -2.00 0.00 0.00 57.00 55.85 1uaa n GLN 223 Cb 0.38 -1.40 -0.02 0.00 -4.06 0.00 0.00 30.24 25.14 1uaa n GLN 223 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1uaa h TYR 224 N 0.00 -1.10 -0.99 3.69 5.03 0.14 0.65 116.97 124.39 1uaa h TYR 224 Ca 0.00 0.08 0.16 0.00 2.58 0.00 0.00 58.73 61.54 1uaa h TYR 224 Cb 0.00 0.56 -0.09 0.00 1.55 0.00 0.00 36.73 38.75 1uaa h TYR 224 CO -0.61 -0.41 0.62 0.93 -1.32 0.00 0.00 178.16 177.38 1uaa h GLU 225 N -0.21 0.81 -0.08 1.82 4.39 0.25 0.23 114.58 121.79 1uaa h GLU 225 Ca 0.20 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.87 1uaa h GLU 225 Cb 0.56 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1uaa h GLU 225 CO -0.67 0.54 -0.00 1.25 -1.16 0.00 0.00 179.01 178.96 1uaa h LEU 226 N 0.84 -0.03 -0.01 1.33 5.85 0.63 -1.06 115.31 122.86 1uaa h LEU 226 Ca 0.53 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.27 1uaa h LEU 226 Cb 0.72 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1uaa h LEU 226 CO -0.30 -0.00 -0.07 0.58 -0.34 0.00 0.00 178.44 178.30 1uaa h VAL 227 N 0.03 0.00 -0.78 1.05 2.07 0.74 0.22 116.25 119.58 1uaa h VAL 227 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 1uaa h VAL 227 Cb 0.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.68 1uaa h VAL 227 CO -0.07 0.00 -0.25 0.29 0.02 0.00 0.00 177.57 177.56 1uaa n LYS 228 N -2.94 -0.13 0.25 1.57 5.02 -0.29 0.13 118.16 121.78 1uaa n LYS 228 Ca -0.01 1.21 -0.16 0.00 -2.02 0.00 0.00 58.31 57.33 1uaa n LYS 228 Cb 0.05 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 1uaa n LYS 228 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1uaa h LEU 229 N 0.00 -0.87 -0.34 -0.35 -0.00 -0.09 0.29 115.31 113.96 1uaa h LEU 229 Ca 0.32 0.07 0.07 0.00 -0.00 0.00 0.00 57.88 58.34 1uaa h LEU 229 Cb 0.52 0.28 -0.07 0.00 -0.00 0.00 0.00 40.66 41.38 1uaa h LEU 229 CO -0.79 -0.48 -0.16 -0.07 -0.00 0.00 0.00 178.44 176.94 1uaa h LEU 230 N -0.73 -0.54 -0.22 1.67 3.38 0.44 -0.28 115.31 119.02 1uaa h LEU 230 Ca -0.03 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1uaa h LEU 230 Cb 0.64 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1uaa h LEU 230 CO -0.02 -0.20 0.00 1.33 0.09 0.00 0.00 178.44 179.65 1uaa n VAL 231 N -5.34 0.62 0.00 1.22 0.24 0.71 -4.40 118.33 111.38 1uaa n VAL 231 Ca 0.01 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1uaa n VAL 231 Cb 0.25 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 1uaa n VAL 231 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uaa n GLY 232 N 0.72 1.97 0.08 7.63 0.00 1.00 -3.40 105.19 113.20 1uaa n GLY 232 Ca 0.04 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 1uaa n GLY 232 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uaa n SER 233 N 2.01 0.04 0.02 1.61 7.64 -1.26 -4.52 113.62 119.16 1uaa n SER 233 Ca 0.00 0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.90 1uaa n SER 233 Cb 0.00 1.13 0.32 0.00 -1.01 0.00 0.00 64.21 64.65 1uaa n SER 233 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1uaa h ARG 234 N 0.00 0.48 0.00 1.43 2.47 -1.98 -3.46 114.38 113.31 1uaa h ARG 234 Ca -0.44 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1uaa h ARG 234 Cb 2.01 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 1uaa h ARG 234 CO 0.03 0.51 0.00 0.00 0.56 0.00 0.00 179.97 181.07 1uaa n ALA 235 N -2.48 0.00 -1.64 0.04 0.00 -1.22 -4.63 120.51 110.58 1uaa n ALA 235 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1uaa n ALA 235 Cb 0.24 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.22 2.13 0.08 0.00 1.81 -1.26 -1.91 118.95 118.57 1uaa s ARG 236 Ca 0.00 1.15 -0.25 0.00 -1.72 0.00 0.00 55.73 54.90 1uaa s ARG 236 Cb 0.00 -4.59 0.09 0.00 -0.45 0.00 0.00 34.95 30.00 1uaa s ARG 236 CO 0.00 -3.33 1.16 -0.59 -0.68 0.00 0.00 175.30 171.86 1uaa s PHE 237 N 11.99 0.04 -0.40 -0.53 -0.12 -1.18 -3.27 117.98 124.52 1uaa s PHE 237 Ca 0.92 -0.29 0.06 0.00 -0.05 0.00 0.00 56.93 57.57 1uaa s PHE 237 Cb -0.16 0.63 0.17 0.00 -0.63 0.00 0.00 43.02 43.03 1uaa s PHE 237 CO 0.23 -0.59 0.55 0.99 -0.05 0.00 0.00 175.22 176.34 1uaa s THR 238 N -2.15 -0.78 0.47 -4.49 2.01 -0.21 -2.64 115.64 107.85 1uaa s THR 238 Ca 0.24 -0.34 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 1uaa s THR 238 Cb -0.01 -0.22 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 1uaa s THR 238 CO 0.02 -0.20 0.99 0.68 -0.69 0.00 0.00 174.62 175.42 1uaa s VAL 239 N 1.70 4.21 -0.01 3.82 -7.23 -0.77 -3.08 120.40 119.04 1uaa s VAL 239 Ca 0.16 1.28 0.03 0.00 -1.81 0.00 0.00 61.98 61.65 1uaa s VAL 239 Cb -0.08 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1uaa s VAL 239 CO -0.06 -0.39 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.56 1uaa s VAL 240 N -2.24 0.80 0.00 1.32 1.01 -0.26 -1.75 120.40 119.28 1uaa s VAL 240 Ca 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1uaa s VAL 240 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1uaa s VAL 240 CO 0.20 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1uaa n GLY 241 N 2.89 1.28 3.03 4.51 0.00 -0.06 -0.84 105.19 116.00 1uaa n GLY 241 Ca -0.14 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 2.00 -0.40 0.57 1.61 -1.08 -1.26 -0.29 116.67 117.81 1uaa s ASP 242 Ca 0.00 -0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.24 1uaa s ASP 242 Cb 0.00 1.01 1.33 0.00 -1.46 0.00 0.00 42.92 43.81 1uaa s ASP 242 CO 0.00 -0.06 1.73 -2.24 0.52 0.00 0.00 175.17 175.11 1uaa h ASP 243 N 6.69 0.00 0.41 -0.34 2.03 -1.95 0.75 116.42 124.01 1uaa h ASP 243 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1uaa h ASP 243 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1uaa h ASP 243 CO -0.09 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 178.59 1uaa n ASP 244 N -2.64 0.00 -0.30 4.15 9.92 -1.26 -2.05 116.55 124.37 1uaa n ASP 244 Ca -0.02 0.06 0.03 0.00 -0.53 0.00 0.00 54.79 54.33 1uaa n ASP 244 Cb 0.37 -0.31 0.07 0.00 -0.64 0.00 0.00 41.12 40.61 1uaa n ASP 244 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uaa n GLN 245 N -1.31 2.40 -2.06 -1.24 6.02 0.26 -4.74 117.38 116.71 1uaa n GLN 245 Ca 0.09 -1.61 -0.33 0.00 -0.01 0.00 0.00 57.00 55.13 1uaa n GLN 245 Cb 0.17 -1.13 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 1uaa n GLN 245 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1uaa s SER 246 N -0.91 5.26 -0.00 1.08 0.15 -0.87 -4.75 113.70 113.65 1uaa s SER 246 Ca 0.10 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1uaa s SER 246 Cb 0.06 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 1uaa s SER 246 CO 0.08 -2.51 0.16 2.30 1.20 0.00 0.00 173.24 174.46 1uaa n ILE 247 N 7.48 0.00 -1.66 6.45 -5.35 -1.26 -4.62 119.36 120.40 1uaa n ILE 247 Ca 0.29 -0.23 -0.35 0.00 -0.27 0.00 0.00 62.75 62.19 1uaa n ILE 247 Cb 0.50 0.64 0.03 0.00 -1.74 0.00 0.00 39.64 39.06 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 -1.45 2.64 0.06 4.28 4.02 -1.26 -4.57 117.16 120.88 1uaa n TYR 248 Ca -0.00 -2.34 -0.04 0.00 -0.01 0.00 0.00 57.90 55.50 1uaa n TYR 248 Cb 0.11 -1.26 0.16 0.00 -0.02 0.00 0.00 39.34 38.33 1uaa n TYR 248 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1uaa h SER 249 N 2.73 0.37 0.52 7.72 0.87 -1.82 -2.63 113.55 121.32 1uaa h SER 249 Ca 0.52 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1uaa h SER 249 Cb 0.36 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1uaa h SER 249 CO 1.31 0.78 0.00 -2.67 -0.53 0.00 0.00 176.83 175.71 1uaa n TRP 250 N -3.99 0.69 -1.45 2.24 4.27 -1.26 -2.44 117.44 115.50 1uaa n TRP 250 Ca -0.02 0.29 -0.17 0.00 -3.89 0.00 0.00 57.50 53.71 1uaa n TRP 250 Cb 0.52 -0.97 0.15 0.00 -1.36 0.00 0.00 31.31 29.65 1uaa n TRP 250 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27 1uaa n ARG 251 N -2.15 2.32 0.00 -2.67 3.00 -1.00 -4.91 116.66 111.25 1uaa n ARG 251 Ca 0.01 -3.29 0.00 0.00 -0.00 0.00 0.00 57.85 54.57 1uaa n ARG 251 Cb 0.17 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.58 1uaa n ARG 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uaa n GLY 252 N -1.04 0.17 3.64 5.14 0.00 -1.02 -4.97 105.19 107.10 1uaa n GLY 252 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 3.41 -0.33 4.61 0.00 -1.17 -4.07 121.76 122.22 1uaa s ALA 253 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1uaa s ALA 253 Cb 0.00 -3.77 0.02 0.00 0.00 0.00 0.00 23.12 19.37 1uaa s ALA 253 CO 0.00 -1.69 1.09 -0.98 0.00 0.00 0.00 175.76 174.18 1uaa s ARG 254 N 4.18 4.04 0.17 0.00 1.70 -0.96 -4.46 118.95 123.64 1uaa s ARG 254 Ca 0.62 1.06 -0.10 0.00 -0.47 0.00 0.00 55.73 56.83 1uaa s ARG 254 Cb -0.21 -3.75 0.06 0.00 -0.57 0.00 0.00 34.95 30.48 1uaa s ARG 254 CO 0.24 -0.94 1.65 -1.00 -1.08 0.00 0.00 175.30 174.17 1uaa h PRO 255 N 8.20 1.02 0.00 3.89 0.13 -1.89 -2.65 132.00 140.71 1uaa h PRO 255 Ca -0.21 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1uaa h PRO 255 Cb 1.06 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1uaa h PRO 255 CO 1.04 0.99 0.00 1.04 -0.23 0.00 0.00 178.00 180.83 1uaa n GLN 256 N -4.25 0.42 -0.08 0.86 1.13 -1.26 -3.77 117.38 110.44 1uaa n GLN 256 Ca 0.03 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.02 1uaa n GLN 256 Cb 0.31 -1.16 -0.01 0.00 0.11 0.00 0.00 30.24 29.50 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 0.00 -0.38 -1.09 1.08 -0.26 -1.83 0.94 115.58 114.05 1uaa h ASN 257 Ca 0.00 0.10 0.30 0.00 -0.56 0.00 0.00 56.30 56.14 1uaa h ASN 257 Cb 0.00 0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 37.41 1uaa h ASN 257 CO 0.00 -0.14 0.74 -0.07 -1.06 0.00 0.00 177.43 176.90 1uaa h LEU 258 N -0.05 0.24 0.00 1.61 -0.00 -1.85 0.52 115.31 115.78 1uaa h LEU 258 Ca 0.15 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1uaa h LEU 258 Cb 0.28 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1uaa h LEU 258 CO -0.33 0.04 -0.18 0.58 -0.00 0.00 0.00 178.44 178.55 1uaa h VAL 259 N 0.21 0.00 -0.86 1.22 2.07 -1.06 -3.23 116.25 114.61 1uaa h VAL 259 Ca 0.58 -0.81 0.27 0.00 0.82 0.00 0.00 66.70 67.56 1uaa h VAL 259 Cb 1.83 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.44 1uaa h VAL 259 CO -0.17 0.00 0.15 0.18 0.02 0.00 0.00 177.57 177.75 1uaa n LEU 260 N -4.22 0.01 0.03 2.57 4.32 0.30 0.28 117.00 120.29 1uaa n LEU 260 Ca -0.03 1.45 -0.10 0.00 -0.02 0.00 0.00 56.01 57.31 1uaa n LEU 260 Cb 0.09 -0.58 -0.04 0.00 -1.62 0.00 0.00 43.42 41.28 1uaa n LEU 260 CO 0.04 -1.51 0.72 0.25 -1.22 0.00 0.00 177.39 175.66 1uaa h LEU 261 N 0.00 -0.66 -1.06 2.23 6.46 -0.18 0.17 115.31 122.27 1uaa h LEU 261 Ca 0.58 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.51 1uaa h LEU 261 Cb 1.32 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1uaa h LEU 261 CO -0.77 -0.28 0.76 0.28 -0.62 0.00 0.00 178.44 177.82 1uaa h SER 262 N -0.31 0.00 0.00 1.25 0.02 0.40 -2.92 113.55 111.99 1uaa h SER 262 Ca 0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1uaa h SER 262 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1uaa h SER 262 CO -0.25 0.00 -1.13 0.00 -1.14 0.00 0.00 176.83 174.31 1uaa n GLN 263 N -2.91 0.53 0.00 3.45 6.02 0.04 -4.49 117.38 120.01 1uaa n GLN 263 Ca 0.05 0.27 0.01 0.00 -0.01 0.00 0.00 57.00 57.32 1uaa n GLN 263 Cb 0.86 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.70 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 -4.45 0.00 -3.97 1.08 5.68 -1.16 -4.16 116.55 109.57 1uaa n ASP 264 Ca -0.19 0.34 -0.31 0.00 -0.50 0.00 0.00 54.79 54.13 1uaa n ASP 264 Cb 0.53 -0.36 -0.15 0.00 -1.14 0.00 0.00 41.12 40.00 1uaa n ASP 264 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1uaa s PHE 265 N -2.72 2.92 0.00 2.11 0.40 -1.11 -5.08 117.98 114.50 1uaa s PHE 265 Ca 0.02 -2.27 0.00 0.00 -0.60 0.00 0.00 56.93 54.08 1uaa s PHE 265 Cb 0.02 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1uaa s PHE 265 CO 0.04 -0.87 0.86 -0.35 0.70 0.00 0.00 175.22 175.61 1uaa n PRO 266 N 4.51 0.00 -1.36 0.24 -0.04 -1.26 -3.34 135.00 133.75 1uaa n PRO 266 Ca -0.06 0.77 -0.26 0.00 -0.04 0.00 0.00 63.50 63.91 1uaa n PRO 266 Cb 0.43 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.29 6.12 -1.87 0.55 0.00 -1.26 -4.98 120.51 116.77 1uaa n ALA 267 Ca 0.00 -2.80 -0.41 0.00 0.00 0.00 0.00 53.44 50.23 1uaa n ALA 267 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1uaa n ALA 267 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1uaa s LEU 268 N -2.32 4.38 -0.60 0.00 2.96 -1.21 -4.51 118.68 117.39 1uaa s LEU 268 Ca 0.52 2.67 0.03 0.00 -0.22 0.00 0.00 54.13 57.14 1uaa s LEU 268 Cb 0.36 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.57 1uaa s LEU 268 CO -0.17 -0.71 0.36 -0.54 -1.32 0.00 0.00 176.35 173.97 1uaa s LYS 269 N -0.38 2.22 0.25 1.98 -0.14 -0.76 -4.97 119.74 117.95 1uaa s LYS 269 Ca 0.59 -2.85 -0.31 0.00 -1.36 0.00 0.00 55.97 52.05 1uaa s LYS 269 Cb -0.42 -3.41 -0.11 0.00 -1.68 0.00 0.00 37.83 32.21 1uaa s LYS 269 CO 0.43 -1.17 1.60 0.08 -0.76 0.00 0.00 175.35 175.53 1uaa s VAL 270 N -0.64 2.20 -0.06 3.17 1.01 -1.26 -3.16 120.40 121.66 1uaa s VAL 270 Ca 0.20 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1uaa s VAL 270 Cb -0.19 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1uaa s VAL 270 CO -0.05 0.02 -0.19 -0.63 0.00 0.00 0.00 175.10 174.25 1uaa s ILE 271 N 0.37 1.64 -0.20 2.22 1.01 0.17 -4.91 121.20 121.50 1uaa s ILE 271 Ca 0.66 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1uaa s ILE 271 Cb -0.47 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 40.63 1uaa s ILE 271 CO 0.42 0.47 -0.10 -1.59 0.00 0.00 0.00 174.94 174.14 1uaa s LYS 272 N 0.21 1.98 -0.05 2.79 -2.85 -1.26 -0.26 119.74 120.30 1uaa s LYS 272 Ca -0.10 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.72 1uaa s LYS 272 Cb -0.14 -2.43 -0.02 0.00 -2.06 0.00 0.00 37.83 33.18 1uaa s LYS 272 CO 0.05 -0.44 1.00 -1.17 0.10 0.00 0.00 175.35 174.88 1uaa s LEU 273 N 1.40 4.31 0.00 2.77 2.96 -1.24 -4.89 118.68 123.99 1uaa s LEU 273 Ca -0.02 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1uaa s LEU 273 Cb -0.16 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1uaa s LEU 273 CO -0.08 -0.36 0.25 -0.62 -1.32 0.00 0.00 176.35 174.22 1uaa n GLU 274 N 4.47 0.94 -3.18 1.98 1.02 -1.26 -2.00 120.64 122.60 1uaa n GLU 274 Ca 0.07 -0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.56 1uaa n GLU 274 Cb 0.50 -0.70 -0.07 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.20 3.95 0.65 3.49 0.74 -1.26 -3.40 119.66 123.63 1uaa s GLN 275 Ca 0.00 0.26 -0.10 0.00 0.05 0.00 0.00 55.36 55.57 1uaa s GLN 275 Cb 0.00 -3.70 -0.00 0.00 1.10 0.00 0.00 33.01 30.41 1uaa s GLN 275 CO 0.00 -0.47 1.03 1.21 -0.55 0.00 0.00 175.29 176.51 1uaa s ASN 276 N 1.60 5.68 0.00 6.67 3.84 -1.05 -3.92 114.94 127.76 1uaa s ASN 276 Ca 0.23 1.10 0.00 0.00 0.21 0.00 0.00 52.86 54.40 1uaa s ASN 276 Cb -0.15 -2.02 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1uaa s ASN 276 CO 0.11 -1.15 0.80 -1.22 -2.79 0.00 0.00 177.10 172.85 1uaa n TYR 277 N -2.84 0.00 0.01 0.43 4.01 -1.26 -4.15 117.16 113.37 1uaa n TYR 277 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1uaa n TYR 277 Cb 0.56 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.00 0.00 -3.17 -0.72 1.85 -1.26 -4.97 116.66 108.39 1uaa n ARG 278 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1uaa n ARG 278 Cb 0.63 -0.36 -0.04 0.00 -1.05 0.00 0.00 32.46 31.64 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 -5.08 6.55 0.79 2.89 0.01 -1.26 -4.51 113.70 113.08 1uaa s SER 279 Ca 0.00 0.96 -0.13 0.00 1.31 0.00 0.00 55.95 58.10 1uaa s SER 279 Cb 0.00 -2.25 0.07 0.00 0.21 0.00 0.00 66.02 64.05 1uaa s SER 279 CO 0.00 -0.24 1.16 -0.94 0.41 0.00 0.00 173.24 173.63 1uaa s SER 280 N -2.89 3.93 0.55 2.44 1.04 -0.17 -4.68 113.70 113.93 1uaa s SER 280 Ca 0.48 2.18 0.25 0.00 0.48 0.00 0.00 55.95 59.34 1uaa s SER 280 Cb -0.11 -2.57 1.46 0.00 0.10 0.00 0.00 66.02 64.91 1uaa s SER 280 CO 0.27 -2.43 2.05 1.23 0.98 0.00 0.00 173.24 175.33 1uaa h GLY 281 N -0.91 0.00 0.79 7.32 0.00 -1.65 -1.48 103.07 107.15 1uaa h GLY 281 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1uaa h GLY 281 CO 0.48 0.00 -0.12 0.07 0.00 0.00 0.00 176.54 176.97 1uaa h ARG 282 N 0.00 0.41 0.55 4.80 -0.00 -1.87 0.31 114.38 118.58 1uaa h ARG 282 Ca 0.16 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.98 59.92 1uaa h ARG 282 Cb 0.70 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 30.67 1uaa h ARG 282 CO -0.00 0.73 -0.34 0.82 -0.00 0.00 0.00 179.97 181.18 1uaa h ILE 283 N 0.09 0.00 -0.80 0.08 1.08 -1.65 0.31 117.51 116.62 1uaa h ILE 283 Ca 0.04 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.69 1uaa h ILE 283 Cb 0.62 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.26 1uaa h ILE 283 CO 0.03 0.00 0.27 -0.07 -0.69 0.00 0.00 178.15 177.69 1uaa h LEU 284 N -0.84 0.16 0.00 1.44 3.38 -1.40 0.36 115.31 118.41 1uaa h LEU 284 Ca -0.07 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uaa h LEU 284 Cb 0.67 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1uaa h LEU 284 CO 0.08 -0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.77 1uaa n LYS 285 N -5.10 0.00 -0.38 1.13 4.81 0.11 0.13 118.16 118.87 1uaa n LYS 285 Ca 0.17 0.64 -0.09 0.00 -0.87 0.00 0.00 58.31 58.16 1uaa n LYS 285 Cb 0.52 -1.34 -0.07 0.00 0.02 0.00 0.00 35.03 34.16 1uaa n LYS 285 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uaa h ALA 286 N -1.59 -0.43 -0.47 3.14 0.00 0.23 0.13 119.26 120.26 1uaa h ALA 286 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1uaa h ALA 286 Cb 0.00 1.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1uaa h ALA 286 CO 0.00 -0.91 0.28 0.00 0.00 0.00 0.00 179.25 178.62 1uaa h ALA 287 N 0.62 0.60 -0.03 0.00 0.00 -0.23 0.11 119.26 120.33 1uaa h ALA 287 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1uaa h ALA 287 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1uaa h ALA 287 CO -0.90 -0.03 -0.04 -0.97 0.00 0.00 0.00 179.25 177.31 1uaa h ASN 288 N 0.56 0.04 0.10 0.00 -0.73 0.37 -2.55 115.58 113.37 1uaa h ASN 288 Ca 0.19 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.35 1uaa h ASN 288 Cb 0.02 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1uaa h ASN 288 CO -0.09 0.09 -0.05 0.40 -0.37 0.00 0.00 177.43 177.41 1uaa h ILE 289 N 0.04 0.12 -0.95 2.57 1.08 -0.09 -3.27 117.51 117.01 1uaa h ILE 289 Ca 0.01 -0.98 0.16 0.00 -0.39 0.00 0.00 64.86 63.66 1uaa h ILE 289 Cb 0.10 0.22 -0.16 0.00 -3.07 0.00 0.00 36.82 33.91 1uaa h ILE 289 CO 0.01 0.04 -0.34 0.25 -0.69 0.00 0.00 178.15 177.41 1uaa h LEU 290 N -1.03 -1.25 -1.77 1.44 6.46 -0.69 0.24 115.31 118.70 1uaa h LEU 290 Ca -0.01 0.30 0.14 0.00 -0.12 0.00 0.00 57.88 58.18 1uaa h LEU 290 Cb 0.17 0.69 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1uaa h LEU 290 CO 0.02 -0.30 0.42 -0.29 -0.62 0.00 0.00 178.44 177.67 1uaa h ILE 291 N -0.02 0.80 0.00 4.05 -0.00 -1.60 -2.12 117.51 118.62 1uaa h ILE 291 Ca 0.37 -0.08 -0.00 0.00 -0.00 0.00 0.00 64.86 65.14 1uaa h ILE 291 Cb 0.62 0.54 -0.00 0.00 -0.00 0.00 0.00 36.82 37.99 1uaa h ILE 291 CO -0.96 0.04 -0.02 0.00 -0.00 0.00 0.00 178.15 177.21 1uaa h ALA 292 N 1.70 1.31 0.00 0.18 0.00 -0.57 -1.07 119.26 120.81 1uaa h ALA 292 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1uaa h ALA 292 Cb 0.82 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1uaa h ALA 292 CO -0.06 0.03 -0.15 -0.91 0.00 0.00 0.00 179.25 178.15 1uaa h ASN 293 N 0.00 0.00 -3.92 0.00 -0.26 -1.47 -3.42 115.58 106.51 1uaa h ASN 293 Ca -0.00 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.26 1uaa h ASN 293 Cb 0.08 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1uaa h ASN 293 CO 0.00 0.15 0.41 0.21 -1.06 0.00 0.00 177.43 177.15 1uaa s ASN 294 N -6.62 6.96 0.69 5.81 3.84 -0.41 -5.01 114.94 120.19 1uaa s ASN 294 Ca -0.04 2.05 -0.17 0.00 0.21 0.00 0.00 52.86 54.92 1uaa s ASN 294 Cb 0.15 -2.59 0.01 0.00 -0.55 0.00 0.00 41.25 38.27 1uaa s ASN 294 CO 0.65 -0.35 1.25 -2.16 -2.79 0.00 0.00 177.10 173.70 1uaa s PRO 295 N -2.20 2.35 -0.06 0.43 0.04 -1.26 -5.02 135.00 129.28 1uaa s PRO 295 Ca 0.54 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 1uaa s PRO 295 Cb -0.23 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1uaa s PRO 295 CO 0.30 -1.72 0.12 -1.01 0.04 0.00 0.00 177.00 174.73 1uaa s HIS 296 N -1.65 -0.11 -0.14 0.56 3.76 -1.26 -4.96 115.29 111.48 1uaa s HIS 296 Ca 0.79 0.41 0.17 0.00 -0.15 0.00 0.00 55.06 56.28 1uaa s HIS 296 Cb -0.34 -0.17 -0.24 0.00 1.11 0.00 0.00 32.58 32.94 1uaa s HIS 296 CO 0.42 -0.17 0.14 1.55 -0.85 0.00 0.00 174.74 175.84 1uaa n VAL 297 N 4.45 0.96 -4.00 -0.90 3.14 -1.26 -4.87 118.33 115.86 1uaa n VAL 297 Ca -0.22 -0.69 -0.34 0.00 -2.96 0.00 0.00 64.34 60.13 1uaa n VAL 297 Cb 0.51 -0.39 -0.15 0.00 -1.06 0.00 0.00 33.84 32.75 1uaa n VAL 297 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1uaa s PHE 298 N -2.64 3.02 -0.27 1.45 0.08 -1.26 -5.11 117.98 113.25 1uaa s PHE 298 Ca -0.09 -1.60 -0.13 0.00 0.12 0.00 0.00 56.93 55.23 1uaa s PHE 298 Cb 0.07 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1uaa s PHE 298 CO 0.76 -0.75 0.29 -1.21 -0.10 0.00 0.00 175.22 174.20 1uaa s GLU 299 N 1.31 4.00 0.36 0.44 0.41 -1.26 -5.05 118.70 118.90 1uaa s GLU 299 Ca 0.01 -0.12 -0.08 0.00 -0.41 0.00 0.00 54.97 54.37 1uaa s GLU 299 Cb -0.16 -3.65 0.03 0.00 -1.78 0.00 0.00 34.13 28.57 1uaa s GLU 299 CO -0.06 -0.21 0.61 -1.59 -0.49 0.00 0.00 175.26 173.52 1uaa s LYS 300 N 1.86 2.06 -0.30 1.61 -2.85 -1.26 -5.15 119.74 115.71 1uaa s LYS 300 Ca 0.11 -1.62 -0.09 0.00 -1.00 0.00 0.00 55.97 53.37 1uaa s LYS 300 Cb -0.16 0.53 0.16 0.00 -2.06 0.00 0.00 37.83 36.30 1uaa s LYS 300 CO 0.10 -0.91 0.77 -0.98 0.10 0.00 0.00 175.35 174.43 1uaa s ARG 301 N -2.73 0.46 1.23 1.78 1.70 -1.26 -5.11 118.95 115.02 1uaa s ARG 301 Ca 0.24 1.04 -0.15 0.00 -0.47 0.00 0.00 55.73 56.39 1uaa s ARG 301 Cb -0.03 0.61 0.30 0.00 -0.57 0.00 0.00 34.95 35.27 1uaa s ARG 301 CO 0.16 -0.28 0.89 1.28 -1.08 0.00 0.00 175.30 176.28 1uaa n LEU 302 N 5.32 -1.79 0.00 -1.89 4.32 -1.26 -4.87 117.00 116.83 1uaa n LEU 302 Ca -0.08 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 1uaa n LEU 302 Cb 0.51 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.13 1uaa n LEU 302 CO -0.03 -3.53 0.00 2.22 -1.22 0.00 0.00 177.39 174.83 1uaa n PHE 303 N -5.11 0.00 -3.39 -1.77 1.16 -1.22 -4.96 117.46 102.16 1uaa n PHE 303 Ca 0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.42 1uaa n PHE 303 Cb 0.55 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.42 1uaa n PHE 303 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1uaa s SER 304 N 0.00 5.94 -0.01 5.98 1.04 -1.26 -2.55 113.70 122.84 1uaa s SER 304 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1uaa s SER 304 Cb 0.00 -1.25 -0.26 0.00 0.10 0.00 0.00 66.02 64.61 1uaa s SER 304 CO 0.00 -0.48 0.79 -0.33 0.98 0.00 0.00 173.24 174.20 1uaa h GLU 305 N 0.82 0.18 -6.03 4.02 4.39 -1.90 -3.45 114.58 112.61 1uaa h GLU 305 Ca -0.46 -0.31 -0.63 0.00 0.34 0.00 0.00 59.36 58.30 1uaa h GLU 305 Cb 1.26 0.12 0.15 0.00 -0.10 0.00 0.00 28.75 30.17 1uaa h GLU 305 CO 0.53 1.00 -0.85 -0.11 -1.16 0.00 0.00 179.01 178.42 1uaa n LEU 306 N -3.37 -2.40 -4.63 1.33 0.00 -1.26 -4.80 117.00 101.87 1uaa n LEU 306 Ca -0.17 0.86 -0.39 0.00 0.00 0.00 0.00 56.01 56.31 1uaa n LEU 306 Cb 1.04 -0.91 0.03 0.00 0.00 0.00 0.00 43.42 43.58 1uaa n LEU 306 CO 0.48 -3.93 0.60 0.61 0.00 0.00 0.00 177.39 175.15 1uaa n GLY 307 N 2.24 -0.17 3.77 -3.96 0.00 -1.26 -3.86 105.19 101.95 1uaa n GLY 307 Ca 0.12 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1uaa n GLY 307 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uaa s TYR 308 N -1.40 2.91 0.00 1.61 6.14 -1.26 -3.05 117.35 122.30 1uaa s TYR 308 Ca 0.70 1.39 0.00 0.00 0.64 0.00 0.00 57.07 59.79 1uaa s TYR 308 Cb -0.47 -3.72 0.00 0.00 0.42 0.00 0.00 41.96 38.20 1uaa s TYR 308 CO 0.52 -2.07 0.00 0.41 0.64 0.00 0.00 175.55 175.05 1uaa n GLY 309 N 0.71 4.09 3.54 8.97 0.00 -1.26 -4.83 105.19 116.41 1uaa n GLY 309 Ca 0.01 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1uaa n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uaa n ALA 310 N -3.00 -1.69 -1.77 4.61 0.00 -1.26 -4.82 120.51 112.59 1uaa n ALA 310 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.47 1uaa n ALA 310 Cb 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.45 1uaa n ALA 310 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1uaa s GLU 311 N -4.12 3.85 -0.35 0.00 0.41 -1.26 -4.89 118.70 112.34 1uaa s GLU 311 Ca 0.62 2.10 -0.29 0.00 -0.41 0.00 0.00 54.97 56.99 1uaa s GLU 311 Cb -0.22 -2.65 0.01 0.00 -1.78 0.00 0.00 34.13 29.49 1uaa s GLU 311 CO 0.63 -0.57 1.18 -0.51 -0.49 0.00 0.00 175.26 175.49 1uaa s LEU 312 N -2.64 3.84 0.28 1.80 1.43 0.24 -4.80 118.68 118.83 1uaa s LEU 312 Ca 0.59 0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 1uaa s LEU 312 Cb -0.37 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.23 1uaa s LEU 312 CO 0.46 -1.05 0.67 -0.54 0.23 0.00 0.00 176.35 176.12 1uaa s LYS 313 N 4.06 3.95 -0.50 1.70 1.02 -1.23 -0.36 119.74 128.38 1uaa s LYS 313 Ca 0.50 0.55 0.05 0.00 0.02 0.00 0.00 55.97 57.09 1uaa s LYS 313 Cb -0.13 -2.55 0.18 0.00 -0.52 0.00 0.00 37.83 34.81 1uaa s LYS 313 CO 0.22 0.24 0.43 0.28 -0.92 0.00 0.00 175.35 175.60 1uaa n VAL 314 N -0.16 -0.17 -1.67 3.17 0.31 -1.19 -0.23 118.33 118.38 1uaa n VAL 314 Ca 0.02 -3.99 -0.42 0.00 -0.01 0.00 0.00 64.34 59.94 1uaa n VAL 314 Cb 0.53 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 1uaa n VAL 314 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1uaa n LEU 315 N 2.32 4.15 -4.56 7.52 7.99 -1.23 -4.56 117.00 128.64 1uaa n LEU 315 Ca 0.26 0.94 -0.38 0.00 -0.01 0.00 0.00 56.01 56.82 1uaa n LEU 315 Cb 0.45 -1.54 -0.11 0.00 -0.11 0.00 0.00 43.42 42.10 1uaa n LEU 315 CO 0.16 0.21 -0.17 -0.44 -1.51 0.00 0.00 177.39 175.63 1uaa s SER 316 N 3.71 5.92 0.26 -1.43 0.01 -1.26 -2.76 113.70 118.15 1uaa s SER 316 Ca 0.86 -0.13 0.06 0.00 1.31 0.00 0.00 55.95 58.04 1uaa s SER 316 Cb -0.45 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1uaa s SER 316 CO 0.40 -0.09 0.32 0.00 0.41 0.00 0.00 173.24 174.28 1uaa s ALA 317 N 1.73 3.86 -0.14 1.44 0.00 -0.47 -4.98 121.76 123.19 1uaa s ALA 317 Ca 0.07 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.51 1uaa s ALA 317 Cb -0.16 -1.57 -0.25 0.00 0.00 0.00 0.00 23.12 21.14 1uaa s ALA 317 CO 0.10 0.20 0.48 -2.95 0.00 0.00 0.00 175.76 173.59 1uaa h ASN 318 N 1.24 0.24 -1.47 0.00 7.08 -1.92 0.20 115.58 120.94 1uaa h ASN 318 Ca -0.50 -0.78 -0.64 0.00 -3.08 0.00 0.00 56.30 51.30 1uaa h ASN 318 Cb 1.24 -0.08 -0.13 0.00 -2.08 0.00 0.00 38.32 37.27 1uaa h ASN 318 CO 0.60 1.53 -0.50 0.20 -2.08 0.00 0.00 177.43 177.17 1uaa s ASN 319 N -6.89 3.61 0.19 6.14 0.01 -1.26 0.89 114.94 117.63 1uaa s ASN 319 Ca -0.22 -1.71 -0.12 0.00 -0.71 0.00 0.00 52.86 50.10 1uaa s ASN 319 Cb 0.04 0.62 0.21 0.00 0.41 0.00 0.00 41.25 42.53 1uaa s ASN 319 CO 0.71 -0.94 1.73 -0.33 -1.51 0.00 0.00 177.10 176.76 1uaa h GLU 320 N 1.49 0.28 0.23 -0.60 4.39 -1.90 -3.08 114.58 115.38 1uaa h GLU 320 Ca -0.40 -0.02 -0.32 0.00 0.34 0.00 0.00 59.36 58.96 1uaa h GLU 320 Cb 1.30 -0.06 0.03 0.00 -0.10 0.00 0.00 28.75 29.92 1uaa h GLU 320 CO 0.65 0.19 -1.43 0.93 -1.16 0.00 0.00 179.01 178.19 1uaa h GLU 321 N 0.29 0.48 -0.04 2.33 5.08 -1.96 -3.29 114.58 117.48 1uaa h GLU 321 Ca 0.26 -0.81 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1uaa h GLU 321 Cb 0.33 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1uaa h GLU 321 CO -0.31 1.39 0.04 1.25 -1.00 0.00 0.00 179.01 180.38 1uaa h HIS 322 N 0.13 0.00 0.66 4.33 2.76 -1.95 -0.40 115.15 120.68 1uaa h HIS 322 Ca -0.23 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.92 1uaa h HIS 322 Cb 2.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.08 1uaa h HIS 322 CO 0.11 0.00 -0.44 1.49 -1.30 0.00 0.00 177.93 177.79 1uaa h GLU 323 N 0.00 -1.02 -0.82 5.26 4.81 -1.60 0.52 114.58 121.73 1uaa h GLU 323 Ca 0.02 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1uaa h GLU 323 Cb 0.10 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1uaa h GLU 323 CO -0.00 -0.68 0.54 0.00 -0.73 0.00 0.00 179.01 178.14 1uaa h ALA 324 N -0.86 1.50 0.01 2.92 0.00 -1.53 -1.54 119.26 119.76 1uaa h ALA 324 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1uaa h ALA 324 Cb 0.86 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1uaa h ALA 324 CO 0.06 0.41 -0.07 0.93 0.00 0.00 0.00 179.25 180.58 1uaa h GLU 325 N 1.01 -0.12 -0.21 0.00 5.08 -0.19 -0.26 114.58 119.90 1uaa h GLU 325 Ca 0.33 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1uaa h GLU 325 Cb 0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1uaa h GLU 325 CO -0.10 -0.08 -0.04 -0.09 -1.00 0.00 0.00 179.01 177.70 1uaa h ARG 326 N -0.13 0.40 0.01 2.33 9.65 0.39 -1.95 114.38 125.08 1uaa h ARG 326 Ca 0.02 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1uaa h ARG 326 Cb 0.15 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1uaa h ARG 326 CO -0.06 0.64 -0.03 0.28 2.80 0.00 0.00 179.97 183.59 1uaa h VAL 327 N 0.13 0.00 -0.97 0.20 2.07 -1.16 1.22 116.25 117.72 1uaa h VAL 327 Ca 0.05 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.84 1uaa h VAL 327 Cb 0.49 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.12 1uaa h VAL 327 CO 0.02 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.13 1uaa h THR 328 N -0.05 0.44 0.92 2.57 1.03 -1.14 0.87 112.91 117.55 1uaa h THR 328 Ca -0.00 -0.15 -0.04 0.00 -0.01 0.00 0.00 66.41 66.20 1uaa h THR 328 Cb 0.05 -0.05 0.01 0.00 -1.07 0.00 0.00 68.15 67.09 1uaa h THR 328 CO -0.01 0.08 -0.45 1.23 -0.01 0.00 0.00 175.52 176.36 1uaa h GLY 329 N 0.45 -1.31 1.38 2.99 0.00 -0.43 -0.00 103.07 106.14 1uaa h GLY 329 Ca 0.65 0.49 0.01 0.00 0.00 0.00 0.00 47.33 48.48 1uaa h GLY 329 CO -0.54 -0.47 0.40 0.83 0.00 0.00 0.00 176.54 176.76 1uaa h GLU 330 N -1.25 0.78 0.17 4.80 4.39 0.40 -0.93 114.58 122.95 1uaa h GLU 330 Ca -0.13 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1uaa h GLU 330 Cb 0.96 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 1uaa h GLU 330 CO 0.20 0.52 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.07 1uaa h LEU 331 N 0.80 -1.26 -0.25 1.33 -0.00 0.91 1.00 115.31 117.83 1uaa h LEU 331 Ca 0.23 0.13 0.06 0.00 -0.00 0.00 0.00 57.88 58.30 1uaa h LEU 331 Cb -0.06 0.46 -0.07 0.00 -0.00 0.00 0.00 40.66 40.99 1uaa h LEU 331 CO -0.05 -0.51 -0.22 0.40 -0.00 0.00 0.00 178.44 178.05 1uaa h ILE 332 N -0.70 0.42 0.01 1.22 2.04 -0.16 -1.76 117.51 118.58 1uaa h ILE 332 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1uaa h ILE 332 Cb 0.71 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1uaa h ILE 332 CO -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 177.88 1uaa h ALA 333 N 0.86 -0.61 -0.98 1.87 0.00 -0.64 0.35 119.26 120.11 1uaa h ALA 333 Ca 0.14 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.27 1uaa h ALA 333 Cb 0.44 0.48 -0.19 0.00 0.00 0.00 0.00 17.79 18.52 1uaa h ALA 333 CO -0.38 -0.62 -0.11 1.58 0.00 0.00 0.00 179.25 179.72 1uaa n HIS 334 N -2.73 0.49 -0.01 0.00 -0.00 0.29 -0.19 115.22 113.08 1uaa n HIS 334 Ca -0.01 1.19 -0.12 0.00 -0.00 0.00 0.00 57.72 58.78 1uaa n HIS 334 Cb 0.04 -1.16 -0.08 0.00 -0.00 0.00 0.00 29.99 28.80 1uaa n HIS 334 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1uaa h HIS 335 N 0.00 0.11 0.00 1.57 6.17 -1.12 0.26 115.15 122.14 1uaa h HIS 335 Ca 0.54 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.60 1uaa h HIS 335 Cb 0.98 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.88 1uaa h HIS 335 CO -0.63 0.36 0.00 0.34 0.71 0.00 0.00 177.93 178.71 1uaa n PHE 336 N -4.88 0.00 0.31 5.26 7.35 0.74 0.40 117.46 126.64 1uaa n PHE 336 Ca -0.07 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.78 1uaa n PHE 336 Cb 0.18 -0.48 0.65 0.00 0.35 0.00 0.00 39.48 40.18 1uaa n PHE 336 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1uaa h VAL 337 N 0.00 0.00 0.00 -2.13 2.07 -1.51 -2.96 116.25 111.72 1uaa h VAL 337 Ca 0.00 -0.41 -0.18 0.00 0.82 0.00 0.00 66.70 66.92 1uaa h VAL 337 Cb 0.00 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1uaa h VAL 337 CO 0.00 0.00 -1.99 0.59 0.02 0.00 0.00 177.57 176.19 1uaa n ASN 338 N -2.86 1.02 -2.73 0.57 3.02 0.08 -5.07 115.26 109.29 1uaa n ASN 338 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1uaa n ASN 338 Cb 0.27 1.24 -0.03 0.00 -0.61 0.00 0.00 39.78 40.65 1uaa n ASN 338 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1uaa n LYS 339 N -2.41 -3.66 -2.75 3.52 0.00 1.33 -5.00 118.16 109.19 1uaa n LYS 339 Ca -0.18 2.86 -0.06 0.00 0.00 0.00 0.00 58.31 60.94 1uaa n LYS 339 Cb 0.81 -4.33 0.03 0.00 0.00 0.00 0.00 35.03 31.54 1uaa n LYS 339 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1uaa n THR 340 N 1.58 0.00 0.00 3.15 -2.24 -1.25 -5.05 114.28 110.47 1uaa n THR 340 Ca -0.25 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1uaa n THR 340 Cb 0.41 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1uaa n THR 340 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uaa n GLN 341 N 2.36 0.00 0.32 -0.78 6.02 -1.26 -3.98 117.38 120.06 1uaa n GLN 341 Ca 0.14 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.20 1uaa n GLN 341 Cb 0.60 0.00 0.39 0.00 1.02 0.00 0.00 30.24 32.24 1uaa n GLN 341 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1uaa h TYR 342 N 0.00 0.00 -0.13 1.08 0.05 -1.78 2.27 116.97 118.45 1uaa h TYR 342 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1uaa h TYR 342 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1uaa h TYR 342 CO 0.00 0.00 -0.25 1.57 -1.05 0.00 0.00 178.16 178.43 1uaa h LYS 343 N 0.00 0.24 0.00 4.88 2.10 -1.06 0.17 116.57 122.89 1uaa h LYS 343 Ca 0.00 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1uaa h LYS 343 Cb 1.30 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1uaa h LYS 343 CO 0.00 0.48 -0.01 -0.44 -2.00 0.00 0.00 179.45 177.48 1uaa h ASP 344 N 0.22 0.00 -3.23 7.07 5.19 0.37 -3.43 116.42 122.61 1uaa h ASP 344 Ca 0.03 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.85 1uaa h ASP 344 Cb 0.57 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.98 1uaa h ASP 344 CO 0.04 0.01 -0.36 -0.31 -3.12 0.00 0.00 179.24 175.50 1uaa s TYR 345 N -3.96 3.47 -0.02 4.55 2.02 0.58 -2.83 117.35 121.16 1uaa s TYR 345 Ca -0.02 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 1uaa s TYR 345 Cb 0.11 -2.28 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1uaa s TYR 345 CO 0.48 0.30 -0.12 0.00 -1.57 0.00 0.00 175.55 174.64 1uaa s ALA 346 N 0.27 1.06 -0.10 3.71 0.00 -0.39 0.52 121.76 126.83 1uaa s ALA 346 Ca 0.15 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1uaa s ALA 346 Cb -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1uaa s ALA 346 CO 0.03 0.21 -0.22 0.42 0.00 0.00 0.00 175.76 176.21 1uaa s ILE 347 N -0.03 1.90 -0.04 0.00 1.09 -0.41 -0.49 121.20 123.21 1uaa s ILE 347 Ca 0.00 -0.92 0.01 0.00 -1.10 0.00 0.00 60.65 58.64 1uaa s ILE 347 Cb -0.08 -1.66 0.02 0.00 -1.06 0.00 0.00 42.46 39.68 1uaa s ILE 347 CO 0.00 0.52 -0.04 -1.48 -0.10 0.00 0.00 174.94 173.84 1uaa s LEU 348 N 0.49 1.31 0.34 2.97 2.34 -0.88 -1.24 118.68 124.01 1uaa s LEU 348 Ca -0.16 -0.13 0.08 0.00 0.06 0.00 0.00 54.13 53.99 1uaa s LEU 348 Cb -0.17 -0.45 -0.05 0.00 -0.56 0.00 0.00 46.19 44.96 1uaa s LEU 348 CO 0.06 -0.06 0.10 -0.72 -1.06 0.00 0.00 176.35 174.67 1uaa s TYR 349 N 0.94 2.65 -0.02 3.48 1.13 -1.12 -3.21 117.35 121.20 1uaa s TYR 349 Ca -0.11 -0.40 -0.21 0.00 -1.41 0.00 0.00 57.07 54.94 1uaa s TYR 349 Cb -0.14 -1.60 -0.25 0.00 -1.10 0.00 0.00 41.96 38.87 1uaa s TYR 349 CO -0.00 0.38 1.03 -0.09 -2.51 0.00 0.00 175.55 174.36 1uaa h ARG 350 N 1.63 0.33 -5.25 -3.49 9.65 -1.91 0.44 114.38 115.78 1uaa h ARG 350 Ca -0.43 -0.40 -0.61 0.00 -1.10 0.00 0.00 59.98 57.44 1uaa h ARG 350 Cb 1.25 0.12 -0.13 0.00 -1.39 0.00 0.00 29.97 29.82 1uaa h ARG 350 CO 0.65 1.10 -0.54 0.20 2.80 0.00 0.00 179.97 184.17 1uaa s GLY 351 N -4.14 2.69 0.30 2.80 0.00 -1.26 -4.56 107.32 103.15 1uaa s GLY 351 Ca -0.14 -1.20 0.18 0.00 0.00 0.00 0.00 44.72 43.55 1uaa s GLY 351 CO 0.81 -2.03 1.43 3.43 0.00 0.00 0.00 173.10 176.73 1uaa h ASN 352 N 1.65 0.00 -0.98 1.64 2.35 -2.01 -3.35 115.58 114.87 1uaa h ASN 352 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1uaa h ASN 352 Cb 1.28 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.60 1uaa h ASN 352 CO 0.71 0.35 0.63 1.12 -1.65 0.00 0.00 177.43 178.59 1uaa h HIS 353 N 0.00 1.26 0.00 1.19 2.07 -1.99 0.03 115.15 117.71 1uaa h HIS 353 Ca -0.01 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1uaa h HIS 353 Cb 1.28 -0.42 0.00 0.00 2.57 0.00 0.00 27.41 30.84 1uaa h HIS 353 CO 0.00 0.80 0.00 0.00 -3.07 0.00 0.00 177.93 175.66 1uaa n GLN 354 N -4.38 0.10 0.10 5.12 10.64 -1.26 0.11 117.38 127.82 1uaa n GLN 354 Ca 0.11 0.18 -0.16 0.00 -1.83 0.00 0.00 57.00 55.31 1uaa n GLN 354 Cb 0.03 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.77 1uaa n GLN 354 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1uaa h SER 355 N 0.00 0.42 -0.88 2.61 4.64 -1.20 -3.38 113.55 115.76 1uaa h SER 355 Ca 0.00 -0.46 -0.52 0.00 -0.47 0.00 0.00 61.79 60.34 1uaa h SER 355 Cb 0.04 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 61.91 1uaa h SER 355 CO 0.00 1.36 1.46 -0.13 -0.87 0.00 0.00 176.83 178.66 1uaa s ARG 356 N -2.65 3.33 0.00 4.77 0.52 0.30 -1.24 118.95 123.98 1uaa s ARG 356 Ca -0.04 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 1uaa s ARG 356 Cb 0.07 -5.33 0.00 0.00 0.52 0.00 0.00 34.95 30.21 1uaa s ARG 356 CO 0.88 -2.71 0.00 1.55 0.02 0.00 0.00 175.30 175.05 1uaa n VAL 357 N 7.09 0.00 0.14 3.52 3.14 -1.26 -4.93 118.33 126.03 1uaa n VAL 357 Ca 0.40 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.54 1uaa n VAL 357 Cb 0.48 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.11 1uaa n VAL 357 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1uaa h PHE 358 N 0.00 0.92 -0.84 1.45 -1.00 -1.39 -3.13 116.94 112.96 1uaa h PHE 358 Ca 0.00 -0.67 0.14 0.00 2.81 0.00 0.00 57.97 60.25 1uaa h PHE 358 Cb 0.00 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 1uaa h PHE 358 CO 0.00 1.55 0.55 0.93 -1.61 0.00 0.00 178.31 179.73 1uaa h GLU 359 N 0.14 0.60 0.00 1.51 5.08 -1.51 -2.36 114.58 118.04 1uaa h GLU 359 Ca -0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1uaa h GLU 359 Cb 2.15 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1uaa h GLU 359 CO 0.26 0.39 0.00 1.17 -1.00 0.00 0.00 179.01 179.84 1uaa n LYS 360 N -4.53 0.00 -0.34 2.33 4.81 -1.19 -2.06 118.16 117.18 1uaa n LYS 360 Ca 0.16 0.01 0.32 0.00 -0.87 0.00 0.00 58.31 57.93 1uaa n LYS 360 Cb 0.47 -0.78 0.59 0.00 0.02 0.00 0.00 35.03 35.33 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 0.81 0.02 5.64 0.04 -1.52 0.86 116.94 122.79 1uaa h PHE 361 Ca 0.00 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1uaa h PHE 361 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1uaa h PHE 361 CO 0.00 -0.42 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.21 1uaa h LEU 362 N 0.04 -0.03 -0.70 1.54 3.38 -1.50 0.33 115.31 118.37 1uaa h LEU 362 Ca 0.84 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 58.46 1uaa h LEU 362 Cb 2.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.98 1uaa h LEU 362 CO -0.72 0.22 -0.26 0.00 0.09 0.00 0.00 178.44 177.77 1uaa h MET 363 N -0.28 0.72 0.00 1.13 -0.00 0.30 0.35 114.93 117.15 1uaa h MET 363 Ca -0.00 -0.30 -0.00 0.00 -0.00 0.00 0.00 59.70 59.39 1uaa h MET 363 Cb 0.26 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1uaa h MET 363 CO 0.01 0.90 -0.00 0.37 -0.00 0.00 0.00 176.91 178.19 1uaa h GLN 364 N 0.62 0.00 -0.31 -0.10 -0.00 0.72 -1.12 115.11 114.92 1uaa h GLN 364 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.68 1uaa h GLN 364 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 1uaa h GLN 364 CO 0.06 0.00 0.01 0.09 0.00 0.00 0.00 178.83 178.99 1uaa n ASN 365 N -3.09 3.65 -2.01 -0.69 4.13 0.09 -4.94 115.26 112.40 1uaa n ASN 365 Ca -0.02 -3.19 -0.18 0.00 1.68 0.00 0.00 54.58 52.87 1uaa n ASN 365 Cb 0.14 -0.58 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 1uaa n ASN 365 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1uaa n ARG 366 N -0.63 -1.65 -2.99 3.52 3.00 -0.42 -4.94 116.66 112.54 1uaa n ARG 366 Ca 0.25 0.96 -0.41 0.00 -0.01 0.00 0.00 57.85 58.64 1uaa n ARG 366 Cb 0.96 -5.47 -0.05 0.00 0.00 0.00 0.00 32.46 27.89 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 -2.74 4.91 0.40 0.55 1.01 0.11 -5.00 121.20 120.44 1uaa s ILE 367 Ca 0.00 1.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.88 1uaa s ILE 367 Cb 0.00 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 1uaa s ILE 367 CO 0.00 -0.02 0.81 -2.16 0.00 0.00 0.00 174.94 173.57 1uaa s PRO 368 N 2.66 3.94 0.31 2.79 0.04 -1.26 -4.02 135.00 139.46 1uaa s PRO 368 Ca 0.31 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 1uaa s PRO 368 Cb -0.15 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.09 1uaa s PRO 368 CO 0.08 -0.01 0.78 1.52 0.04 0.00 0.00 177.00 179.42 1uaa s TYR 369 N -2.26 -0.04 -0.00 0.56 1.13 -1.26 -0.47 117.35 115.00 1uaa s TYR 369 Ca 0.55 -0.49 0.06 0.00 -1.41 0.00 0.00 57.07 55.78 1uaa s TYR 369 Cb -0.10 0.76 -0.02 0.00 -1.10 0.00 0.00 41.96 41.50 1uaa s TYR 369 CO 0.24 -1.33 -0.20 -1.59 -2.51 0.00 0.00 175.55 170.16 1uaa s LYS 370 N -3.11 1.54 -0.74 -3.49 -2.85 0.71 -4.77 119.74 107.03 1uaa s LYS 370 Ca 0.14 -0.74 -0.13 0.00 -1.00 0.00 0.00 55.97 54.24 1uaa s LYS 370 Cb -0.05 -1.52 0.19 0.00 -2.06 0.00 0.00 37.83 34.39 1uaa s LYS 370 CO 0.08 0.41 0.66 -1.50 0.10 0.00 0.00 175.35 175.11 1uaa s ILE 371 N -0.52 5.25 0.00 3.79 2.07 -1.26 -2.18 121.20 128.35 1uaa s ILE 371 Ca 0.07 -2.33 0.00 0.00 -1.41 0.00 0.00 60.65 56.98 1uaa s ILE 371 Cb -0.08 -4.29 0.00 0.00 0.13 0.00 0.00 42.46 38.22 1uaa s ILE 371 CO -0.00 -0.97 0.00 -0.24 -1.91 0.00 0.00 174.94 171.82 1uaa n SER 372 N 4.17 0.00 -3.96 4.50 2.88 0.32 -4.16 113.62 117.38 1uaa n SER 372 Ca 0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.33 1uaa n SER 372 Cb 0.44 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.74 1uaa n SER 372 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uaa s GLY 373 N 0.00 1.03 -0.40 0.46 0.00 -1.26 -5.00 107.32 102.14 1uaa s GLY 373 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1uaa s GLY 373 CO 0.00 0.71 0.21 -0.32 0.00 0.00 0.00 173.10 173.70 1uaa s GLY 374 N 1.57 1.44 0.00 0.20 0.00 -1.26 -5.03 107.32 104.24 1uaa s GLY 374 Ca 0.03 -2.32 0.00 0.00 0.00 0.00 0.00 44.72 42.44 1uaa s GLY 374 CO -0.09 1.63 0.00 -1.30 0.00 0.00 0.00 173.10 173.34 1uaa n THR 375 N 3.86 -0.90 -1.42 0.90 -2.24 -1.26 -4.77 114.28 108.46 1uaa n THR 375 Ca 0.07 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 1uaa n THR 375 Cb 0.36 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.40 1uaa n THR 375 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1uaa n SER 376 N 2.31 -1.33 -0.32 3.42 2.88 -1.26 -4.75 113.62 114.57 1uaa n SER 376 Ca 0.00 0.91 0.16 0.00 -1.33 0.00 0.00 58.87 58.62 1uaa n SER 376 Cb 0.01 -1.05 0.36 0.00 -0.75 0.00 0.00 64.21 62.78 1uaa n SER 376 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1uaa h PHE 377 N 0.74 0.78 0.00 0.66 3.57 -2.00 0.80 116.94 121.49 1uaa h PHE 377 Ca -0.38 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1uaa h PHE 377 Cb 1.41 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1uaa h PHE 377 CO 0.35 -0.06 0.00 1.19 -2.23 0.00 0.00 178.31 177.57 1uaa n PHE 378 N -5.02 0.00 -0.01 0.41 3.72 -1.26 -1.17 117.46 114.14 1uaa n PHE 378 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1uaa n PHE 378 Cb 0.75 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 0.11 0.01 -4.70 4.37 7.64 0.27 -4.68 113.62 116.64 1uaa n SER 379 Ca 0.00 -0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.16 1uaa n SER 379 Cb 0.04 0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1uaa n SER 379 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uaa s ARG 380 N -0.58 4.18 0.15 1.43 0.52 -0.31 -4.78 118.95 119.56 1uaa s ARG 380 Ca 0.00 2.42 -0.30 0.00 -0.52 0.00 0.00 55.73 57.32 1uaa s ARG 380 Cb 0.00 -3.45 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 1uaa s ARG 380 CO 0.00 -0.73 1.55 -1.35 0.02 0.00 0.00 175.30 174.79 1uaa h PRO 381 N 7.91 -0.19 -1.56 3.54 0.11 -1.95 0.29 132.00 140.16 1uaa h PRO 381 Ca -0.43 0.01 0.47 0.00 0.11 0.00 0.00 66.00 66.16 1uaa h PRO 381 Cb 1.21 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1uaa h PRO 381 CO 0.93 -0.12 1.08 1.05 -0.21 0.00 0.00 178.00 180.73 1uaa h GLU 382 N -0.19 0.04 0.00 1.05 9.09 -1.92 0.94 114.58 123.60 1uaa h GLU 382 Ca 0.14 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 1uaa h GLU 382 Cb 0.52 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 1uaa h GLU 382 CO -0.77 0.03 -0.00 0.82 0.05 0.00 0.00 179.01 179.14 1uaa h ILE 383 N 0.04 0.00 -1.39 -1.06 1.08 -0.81 -2.97 117.51 112.41 1uaa h ILE 383 Ca 0.82 -0.50 0.43 0.00 -0.39 0.00 0.00 64.86 65.21 1uaa h ILE 383 Cb 2.98 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 36.63 1uaa h ILE 383 CO -0.18 0.00 0.93 0.11 -0.69 0.00 0.00 178.15 178.33 1uaa h LYS 384 N -0.51 0.09 0.01 2.37 1.57 0.12 0.40 116.57 120.62 1uaa h LYS 384 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1uaa h LYS 384 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1uaa h LYS 384 CO 0.00 0.06 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.50 1uaa h ASP 385 N 0.10 -0.01 -1.33 0.86 3.32 -0.98 -1.08 116.42 117.30 1uaa h ASP 385 Ca 0.78 0.00 0.39 0.00 0.02 0.00 0.00 57.03 58.22 1uaa h ASP 385 Cb 2.62 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 42.08 1uaa h ASP 385 CO -0.27 -0.01 0.90 -0.07 -1.72 0.00 0.00 179.24 178.08 1uaa h LEU 386 N -0.01 0.19 0.66 1.55 -0.00 -0.60 0.30 115.31 117.40 1uaa h LEU 386 Ca -0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1uaa h LEU 386 Cb 0.01 0.05 0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1uaa h LEU 386 CO 0.00 -0.04 -0.32 0.25 -0.00 0.00 0.00 178.44 178.33 1uaa h LEU 387 N 0.12 -0.76 -0.78 1.67 6.46 -0.17 -3.09 115.31 118.77 1uaa h LEU 387 Ca 0.72 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.57 1uaa h LEU 387 Cb 2.44 0.20 -0.11 0.00 -0.73 0.00 0.00 40.66 42.46 1uaa h LEU 387 CO -0.22 -0.40 -0.38 0.00 -0.62 0.00 0.00 178.44 176.82 1uaa n ALA 388 N -2.64 -0.30 -0.09 1.25 0.00 0.10 0.77 120.51 119.61 1uaa n ALA 388 Ca -0.12 0.72 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 1uaa n ALA 388 Cb 0.37 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 1uaa n ALA 388 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1uaa h TYR 389 N 0.00 -1.56 -0.72 0.00 0.05 -1.52 0.25 116.97 113.48 1uaa h TYR 389 Ca 0.20 0.07 0.16 0.00 0.05 0.00 0.00 58.73 59.20 1uaa h TYR 389 Cb 0.39 0.72 -0.11 0.00 1.01 0.00 0.00 36.73 38.74 1uaa h TYR 389 CO -0.75 -0.47 0.13 -0.07 -1.05 0.00 0.00 178.16 175.95 1uaa h LEU 390 N -0.43 -0.08 0.13 3.88 3.38 0.45 0.82 115.31 123.47 1uaa h LEU 390 Ca 0.05 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1uaa h LEU 390 Cb 0.58 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1uaa h LEU 390 CO -0.50 -0.07 -0.39 -0.09 0.09 0.00 0.00 178.44 177.48 1uaa h ARG 391 N 0.22 -0.57 -0.39 1.13 2.43 0.17 0.59 114.38 117.96 1uaa h ARG 391 Ca 0.40 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.69 1uaa h ARG 391 Cb 0.68 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 1uaa h ARG 391 CO -0.53 -0.38 -0.09 0.28 -1.51 0.00 0.00 179.97 177.74 1uaa h VAL 392 N -0.59 0.62 -0.00 0.20 2.07 0.13 0.70 116.25 119.37 1uaa h VAL 392 Ca -0.01 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1uaa h VAL 392 Cb 0.58 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1uaa h VAL 392 CO -0.19 0.00 -0.44 -0.07 0.02 0.00 0.00 177.57 176.89 1uaa h LEU 393 N 0.01 -1.34 -0.14 2.57 3.38 0.11 -1.42 115.31 118.48 1uaa h LEU 393 Ca 0.19 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1uaa h LEU 393 Cb 0.29 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uaa h LEU 393 CO -0.40 -0.47 0.00 0.35 0.09 0.00 0.00 178.44 178.01 1uaa n THR 394 N -5.45 0.54 -3.37 0.22 -2.24 0.15 -4.38 114.28 99.75 1uaa n THR 394 Ca -0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1uaa n THR 394 Cb 0.38 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.77 1uaa n THR 394 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1uaa s ASN 395 N -3.74 1.29 0.00 3.42 3.84 0.23 -4.99 114.94 114.99 1uaa s ASN 395 Ca 0.10 -0.78 0.15 0.00 0.21 0.00 0.00 52.86 52.54 1uaa s ASN 395 Cb 0.13 0.66 0.72 0.00 -0.55 0.00 0.00 41.25 42.22 1uaa s ASN 395 CO 0.47 -0.36 1.45 -2.65 -2.79 0.00 0.00 177.10 173.23 1uaa n PRO 396 N 5.18 0.13 -0.37 0.43 -0.02 -0.91 -2.80 135.00 136.63 1uaa n PRO 396 Ca 0.00 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.72 1uaa n PRO 396 Cb 0.47 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 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 -1.37 3.01 -4.01 2.55 8.00 -1.26 -4.56 116.55 118.91 1uaa n ASP 397 Ca 0.06 -2.29 -0.41 0.00 0.71 0.00 0.00 54.79 52.87 1uaa n ASP 397 Cb 0.14 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1uaa n ASP 397 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uaa n ASP 398 N 0.52 5.70 -0.31 -2.24 -0.08 -1.12 -4.88 116.55 114.14 1uaa n ASP 398 Ca 0.15 -3.32 0.00 0.00 -1.51 0.00 0.00 54.79 50.11 1uaa n ASP 398 Cb 0.59 -1.19 0.07 0.00 2.34 0.00 0.00 41.12 42.92 1uaa n ASP 398 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1uaa h ASP 399 N 5.57 -1.09 -0.79 1.67 3.32 -1.91 0.34 116.42 123.54 1uaa h ASP 399 Ca 0.19 0.27 0.15 0.00 0.02 0.00 0.00 57.03 57.66 1uaa h ASP 399 Cb 0.69 0.61 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 1uaa h ASP 399 CO 1.16 -0.29 -0.26 0.28 -1.72 0.00 0.00 179.24 178.41 1uaa h SER 400 N -0.04 -0.94 -0.57 6.45 0.02 -1.95 3.36 113.55 119.88 1uaa h SER 400 Ca 0.35 0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 61.45 1uaa h SER 400 Cb 0.60 0.55 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1uaa h SER 400 CO -0.87 -0.28 -0.04 0.00 -1.14 0.00 0.00 176.83 174.50 1uaa h ALA 401 N 1.57 0.77 0.10 3.77 0.00 -0.75 -1.54 119.26 123.19 1uaa h ALA 401 Ca 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1uaa h ALA 401 Cb 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uaa h ALA 401 CO -0.82 0.63 -0.05 0.35 0.00 0.00 0.00 179.25 179.36 1uaa h PHE 402 N 0.91 -0.13 -1.08 0.00 3.57 0.19 -2.45 116.94 117.94 1uaa h PHE 402 Ca 0.16 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.96 1uaa h PHE 402 Cb 0.60 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1uaa h PHE 402 CO 0.04 0.12 0.76 -0.07 -2.23 0.00 0.00 178.31 176.93 1uaa h LEU 403 N -0.37 0.12 0.00 0.59 4.07 0.61 0.36 115.31 120.70 1uaa h LEU 403 Ca -0.01 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1uaa h LEU 403 Cb 0.30 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1uaa h LEU 403 CO 0.02 0.02 -0.62 -0.09 -1.08 0.00 0.00 178.44 176.70 1uaa h ARG 404 N 0.11 0.00 0.01 1.13 2.43 -0.83 -3.40 114.38 113.83 1uaa h ARG 404 Ca 0.54 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.33 1uaa h ARG 404 Cb 1.94 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.42 1uaa h ARG 404 CO -0.09 0.06 -2.43 -0.89 -1.51 0.00 0.00 179.97 175.12 1uaa n ILE 405 N -2.90 1.49 -0.17 1.20 2.08 0.12 -4.26 119.36 116.93 1uaa n ILE 405 Ca 0.01 -0.62 -0.03 0.00 0.56 0.00 0.00 62.75 62.66 1uaa n ILE 405 Cb 0.58 -1.29 -0.03 0.00 -0.75 0.00 0.00 39.64 38.16 1uaa n ILE 405 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1uaa n VAL 406 N -3.19 -0.26 -0.08 1.39 0.24 -0.68 -1.56 118.33 114.20 1uaa n VAL 406 Ca -0.43 0.98 -0.08 0.00 -2.04 0.00 0.00 64.34 62.77 1uaa n VAL 406 Cb 1.02 -1.23 -0.12 0.00 -1.47 0.00 0.00 33.84 32.04 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 -4.53 1.32 0.00 -1.34 4.05 -1.26 -4.48 115.26 109.01 1uaa n ASN 407 Ca 0.02 -0.01 0.00 0.00 0.45 0.00 0.00 54.58 55.04 1uaa n ASN 407 Cb 0.12 0.81 0.00 0.00 1.23 0.00 0.00 39.78 41.94 1uaa n ASN 407 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1uaa n THR 408 N -2.59 0.00 0.00 -0.44 -2.24 -0.60 0.21 114.28 108.62 1uaa n THR 408 Ca -0.25 1.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.59 1uaa n THR 408 Cb 0.99 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1uaa n THR 408 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1uaa n PRO 409 N -2.30 0.00 -2.19 -0.78 -0.02 -1.23 -4.69 135.00 123.78 1uaa n PRO 409 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1uaa n PRO 409 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1uaa n PRO 409 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1uaa n LYS 410 N -0.60 -0.88 -0.83 -0.52 3.00 0.56 -4.93 118.16 113.96 1uaa n LYS 410 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 58.31 59.43 1uaa n LYS 410 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 35.03 31.53 1uaa n LYS 410 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1uaa n ARG 411 N -0.88 1.63 -2.68 1.64 3.00 -1.18 -5.03 116.66 113.17 1uaa n ARG 411 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.55 1uaa n ARG 411 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.81 1uaa n ARG 411 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1uaa n GLU 412 N -0.66 3.95 -3.42 -0.14 1.02 -1.26 -4.90 120.64 115.23 1uaa n GLU 412 Ca 0.00 -4.62 -0.43 0.00 -0.02 0.00 0.00 57.16 52.09 1uaa n GLU 412 Cb 0.00 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.08 1uaa n GLU 412 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uaa s ILE 413 N -4.63 5.48 0.60 -3.67 1.01 -1.26 -4.70 121.20 114.03 1uaa s ILE 413 Ca 0.46 -3.38 -0.20 0.00 0.00 0.00 0.00 60.65 57.53 1uaa s ILE 413 Cb 0.28 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1uaa s ILE 413 CO -0.17 -1.13 1.26 0.61 0.00 0.00 0.00 174.94 175.51 1uaa n GLY 414 N 2.82 0.48 0.34 6.18 0.00 -1.26 -4.66 105.19 109.09 1uaa n GLY 414 Ca 0.21 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 0.86 0.00 0.11 1.61 0.13 -1.97 0.54 132.00 133.29 1uaa h PRO 415 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1uaa h PRO 415 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1uaa h PRO 415 CO 0.54 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.26 1uaa h ALA 416 N 1.02 -0.25 -1.51 -0.56 0.00 -1.97 0.72 119.26 116.71 1uaa h ALA 416 Ca 0.00 -0.03 0.45 0.00 0.00 0.00 0.00 54.91 55.33 1uaa h ALA 416 Cb 0.99 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1uaa h ALA 416 CO -0.00 -0.24 1.05 0.00 0.00 0.00 0.00 179.25 180.06 1uaa h THR 417 N -0.58 0.18 0.14 0.00 1.03 -0.42 2.43 112.91 115.69 1uaa h THR 417 Ca -0.02 -0.02 -0.30 0.00 -0.01 0.00 0.00 66.41 66.07 1uaa h THR 417 Cb 0.12 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.33 1uaa h THR 417 CO 0.03 0.01 -1.40 -0.07 -0.01 0.00 0.00 175.52 174.08 1uaa h LEU 418 N 0.05 0.45 -0.01 0.00 3.38 -0.54 -2.65 115.31 116.00 1uaa h LEU 418 Ca 0.78 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1uaa h LEU 418 Cb 2.86 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 43.43 1uaa h LEU 418 CO -0.15 1.44 -0.21 0.50 0.09 0.00 0.00 178.44 180.10 1uaa h LYS 419 N 0.08 -0.32 -0.00 1.13 1.63 1.05 -1.52 116.57 118.62 1uaa h LYS 419 Ca -0.20 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 1uaa h LYS 419 Cb 2.01 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.71 1uaa h LYS 419 CO 0.19 -0.21 -0.25 0.87 -3.45 0.00 0.00 179.45 176.60 1uaa h LYS 420 N -0.33 0.00 0.09 1.90 1.57 -1.01 -1.82 116.57 116.96 1uaa h LYS 420 Ca 0.06 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1uaa h LYS 420 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1uaa h LYS 420 CO -0.20 0.25 -0.04 1.25 -0.57 0.00 0.00 179.45 180.13 1uaa h LEU 421 N 0.00 -0.10 -0.08 2.94 6.46 -1.12 -1.11 115.31 122.30 1uaa h LEU 421 Ca -0.00 -0.32 0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1uaa h LEU 421 Cb 0.43 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 1uaa h LEU 421 CO 0.03 0.28 -0.52 1.23 -0.62 0.00 0.00 178.44 178.83 1uaa h GLY 422 N -0.50 -1.12 -0.05 3.75 0.00 -0.99 0.96 103.07 105.12 1uaa h GLY 422 Ca -0.01 0.68 0.09 0.00 0.00 0.00 0.00 47.33 48.08 1uaa h GLY 422 CO 0.02 -0.22 -0.21 0.83 0.00 0.00 0.00 176.54 176.95 1uaa h GLU 423 N -0.60 -0.13 0.48 4.80 5.08 -1.28 2.32 114.58 125.26 1uaa h GLU 423 Ca 0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1uaa h GLU 423 Cb 0.68 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1uaa h GLU 423 CO -0.39 -0.08 -0.24 2.35 -1.00 0.00 0.00 179.01 179.64 1uaa h TRP 424 N -0.13 -0.63 -0.62 4.33 2.91 -0.95 -0.70 115.95 120.17 1uaa h TRP 424 Ca 0.21 -0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.37 1uaa h TRP 424 Cb 0.45 0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 29.28 1uaa h TRP 424 CO -0.46 -0.39 0.43 0.00 -1.03 0.00 0.00 178.44 176.99 1uaa h ALA 425 N -0.14 2.44 0.09 2.65 0.00 0.32 -1.92 119.26 122.70 1uaa h ALA 425 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uaa h ALA 425 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1uaa h ALA 425 CO 0.10 -0.61 -0.05 1.98 0.00 0.00 0.00 179.25 180.67 1uaa h MET 426 N 0.10 -0.12 -0.76 0.00 1.85 0.47 -1.96 114.93 114.51 1uaa h MET 426 Ca 0.30 0.01 0.17 0.00 -0.61 0.00 0.00 59.70 59.57 1uaa h MET 426 Cb 1.03 0.03 -0.13 0.00 0.43 0.00 0.00 31.60 32.96 1uaa h MET 426 CO -0.03 -0.08 -0.02 1.79 -0.40 0.00 0.00 176.91 178.16 1uaa h THR 427 N -0.16 0.32 0.00 -0.77 1.35 -0.74 0.97 112.91 113.88 1uaa h THR 427 Ca -0.01 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1uaa h THR 427 Cb 0.10 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1uaa h THR 427 CO 0.02 0.02 0.00 0.54 -0.25 0.00 0.00 175.52 175.85 1uaa n ARG 428 N -5.37 0.83 -3.41 4.72 3.00 -0.76 -4.94 116.66 110.73 1uaa n ARG 428 Ca 0.13 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.63 1uaa n ARG 428 Cb 0.47 -1.20 0.03 0.00 0.00 0.00 0.00 32.46 31.76 1uaa n ARG 428 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1uaa n ASN 429 N -0.70 -5.86 -3.72 0.55 3.02 0.34 -5.00 115.26 103.87 1uaa n ASN 429 Ca 0.08 -0.04 0.02 0.00 -0.03 0.00 0.00 54.58 54.60 1uaa n ASN 429 Cb 0.04 -2.15 0.01 0.00 -0.61 0.00 0.00 39.78 37.07 1uaa n ASN 429 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1uaa s LYS 430 N -2.42 0.50 0.75 3.52 -2.85 -0.78 -5.04 119.74 113.40 1uaa s LYS 430 Ca 0.36 -0.31 -0.15 0.00 -1.00 0.00 0.00 55.97 54.86 1uaa s LYS 430 Cb -0.04 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1uaa s LYS 430 CO 0.84 -0.23 0.83 0.45 0.10 0.00 0.00 175.35 177.33 1uaa n SER 431 N -0.95 -0.13 0.13 0.03 2.88 -1.26 -4.53 113.62 109.79 1uaa n SER 431 Ca 0.00 0.61 -0.12 0.00 -1.33 0.00 0.00 58.87 58.03 1uaa n SER 431 Cb 0.60 -1.35 -0.07 0.00 -0.75 0.00 0.00 64.21 62.64 1uaa n SER 431 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1uaa h MET 432 N -0.45 -0.37 -0.54 -1.46 2.86 -1.91 0.48 114.93 113.55 1uaa h MET 432 Ca -0.46 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.27 1uaa h MET 432 Cb 1.33 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.98 1uaa h MET 432 CO 0.45 -0.02 -0.51 0.35 1.06 0.00 0.00 176.91 178.24 1uaa h PHE 433 N -0.86 -1.55 -0.46 -0.22 3.57 -1.92 0.39 116.94 115.89 1uaa h PHE 433 Ca -0.04 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1uaa h PHE 433 Cb 0.52 0.75 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1uaa h PHE 433 CO 0.04 -0.45 0.20 1.15 -2.23 0.00 0.00 178.31 177.02 1uaa h THR 434 N -0.29 1.20 -0.77 4.41 2.02 -1.79 -0.84 112.91 116.86 1uaa h THR 434 Ca 0.13 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 66.84 1uaa h THR 434 Cb 0.57 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1uaa h THR 434 CO -0.67 0.23 0.51 0.00 0.37 0.00 0.00 175.52 175.95 1uaa h ALA 435 N 1.04 1.98 0.00 6.16 0.00 0.11 -1.70 119.26 126.84 1uaa h ALA 435 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uaa h ALA 435 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uaa h ALA 435 CO -0.01 -0.17 0.43 0.45 0.00 0.00 0.00 179.25 179.94 1uaa n SER 436 N -4.50 0.09 -0.00 0.00 2.88 0.13 -0.20 113.62 112.02 1uaa n SER 436 Ca 0.14 0.29 0.03 0.00 -1.33 0.00 0.00 58.87 58.01 1uaa n SER 436 Cb 0.46 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1uaa n SER 436 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1uaa n PHE 437 N -1.55 0.00 -1.63 0.66 3.01 -0.64 -4.85 117.46 112.47 1uaa n PHE 437 Ca -0.00 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.98 1uaa n PHE 437 Cb 0.43 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.76 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 -1.52 2.31 0.29 4.37 9.92 0.72 -4.78 116.55 127.86 1uaa n ASP 438 Ca -0.00 1.11 0.19 0.00 -0.53 0.00 0.00 54.79 55.56 1uaa n ASP 438 Cb 0.15 -1.32 0.85 0.00 -0.64 0.00 0.00 41.12 40.17 1uaa n ASP 438 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1uaa h MET 439 N 4.79 0.00 0.00 -1.24 1.85 -1.93 -2.48 114.93 115.91 1uaa h MET 439 Ca -0.46 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.57 1uaa h MET 439 Cb 1.30 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.32 1uaa h MET 439 CO 0.80 0.00 -0.32 0.78 -0.40 0.00 0.00 176.91 177.77 1uaa h GLY 440 N 1.31 0.00 1.91 1.39 0.00 -1.95 -3.09 103.07 102.63 1uaa h GLY 440 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1uaa h GLY 440 CO 0.00 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.48 1uaa h LEU 441 N 0.00 0.11 -1.73 3.11 5.85 -1.76 -2.96 115.31 117.93 1uaa h LEU 441 Ca -0.00 -0.01 0.28 0.00 0.84 0.00 0.00 57.88 58.99 1uaa h LEU 441 Cb 0.86 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1uaa h LEU 441 CO 0.04 0.19 0.89 0.77 -0.34 0.00 0.00 178.44 179.99 1uaa h SER 442 N 0.12 0.00 0.08 1.25 4.64 -1.69 0.05 113.55 118.00 1uaa h SER 442 Ca 0.03 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.98 1uaa h SER 442 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1uaa h SER 442 CO 0.01 0.00 -2.15 0.00 -0.87 0.00 0.00 176.83 173.82 1uaa n GLN 443 N -3.74 0.72 -0.26 4.77 1.13 -1.12 -4.27 117.38 114.61 1uaa n GLN 443 Ca 0.21 0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 55.45 1uaa n GLN 443 Cb 1.21 -1.64 0.05 0.00 0.11 0.00 0.00 30.24 29.97 1uaa n GLN 443 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1uaa h THR 444 N 0.00 1.22 -3.90 5.09 1.35 -1.15 -3.43 112.91 112.10 1uaa h THR 444 Ca -0.48 -0.56 -0.34 0.00 -0.55 0.00 0.00 66.41 64.48 1uaa h THR 444 Cb 1.97 0.29 -0.20 0.00 -1.73 0.00 0.00 68.15 68.47 1uaa h THR 444 CO 0.01 0.24 -0.75 -0.22 -0.25 0.00 0.00 175.52 174.56 1uaa s LEU 445 N -9.94 2.30 0.00 3.87 0.20 -0.59 -5.09 118.68 109.44 1uaa s LEU 445 Ca -0.13 -0.65 0.00 0.00 0.69 0.00 0.00 54.13 54.05 1uaa s LEU 445 Cb 0.14 -0.34 0.00 0.00 -0.43 0.00 0.00 46.19 45.56 1uaa s LEU 445 CO 0.80 -0.17 0.00 -1.54 -0.29 0.00 0.00 176.35 175.15 1uaa n SER 446 N 1.15 0.00 0.00 3.68 3.41 -1.26 -4.20 113.62 116.40 1uaa n SER 446 Ca -0.20 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1uaa n SER 446 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1uaa n SER 446 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uaa n GLY 447 N 0.00 0.63 0.07 5.00 0.00 -1.26 -4.40 105.19 105.23 1uaa n GLY 447 Ca 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 1uaa n GLY 447 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1uaa h ARG 448 N 0.00 0.00 0.14 1.61 3.08 -1.99 -3.29 114.38 113.93 1uaa h ARG 448 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1uaa h ARG 448 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1uaa h ARG 448 CO 0.00 0.84 -0.07 0.78 -1.07 0.00 0.00 179.97 180.45 1uaa h GLY 449 N 3.16 -0.20 0.84 0.04 0.00 -1.84 -0.33 103.07 104.74 1uaa h GLY 449 Ca -0.09 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.45 1uaa h GLY 449 CO 0.11 -0.07 0.45 -1.82 0.00 0.00 0.00 176.54 175.21 1uaa h TYR 450 N -0.35 0.39 -0.37 5.60 5.03 -1.77 1.51 116.97 127.02 1uaa h TYR 450 Ca -0.02 0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.15 1uaa h TYR 450 Cb 0.28 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 1uaa h TYR 450 CO -0.02 0.16 -0.37 1.49 -1.32 0.00 0.00 178.16 178.10 1uaa h GLU 451 N 0.34 0.87 -0.04 1.82 4.22 -1.36 0.35 114.58 120.79 1uaa h GLU 451 Ca 0.32 -0.44 -0.10 0.00 0.08 0.00 0.00 59.36 59.22 1uaa h GLU 451 Cb 0.78 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1uaa h GLU 451 CO -0.09 1.09 -0.36 0.00 -2.18 0.00 0.00 179.01 177.47 1uaa h ALA 452 N 0.86 0.09 0.26 2.92 0.00 0.19 -2.50 119.26 121.09 1uaa h ALA 452 Ca 0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1uaa h ALA 452 Cb 0.94 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1uaa h ALA 452 CO 0.09 0.19 -0.35 1.25 0.00 0.00 0.00 179.25 180.43 1uaa h LEU 453 N -0.23 -1.00 0.04 0.00 5.85 0.20 -1.68 115.31 118.49 1uaa h LEU 453 Ca -0.03 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1uaa h LEU 453 Cb 1.05 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1uaa h LEU 453 CO 0.07 -0.44 -0.34 0.71 -0.34 0.00 0.00 178.44 178.11 1uaa h THR 454 N -0.64 0.28 -0.96 1.05 1.35 -0.38 -1.39 112.91 112.22 1uaa h THR 454 Ca -0.03 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.97 1uaa h THR 454 Cb 0.58 0.28 -0.15 0.00 -1.73 0.00 0.00 68.15 67.12 1uaa h THR 454 CO -0.09 0.00 -0.39 -1.14 -0.25 0.00 0.00 175.52 173.64 1uaa n ARG 455 N -5.42 -0.24 0.00 4.72 0.00 -0.94 -0.52 116.66 114.25 1uaa n ARG 455 Ca -0.06 1.47 0.00 0.00 -0.00 0.00 0.00 57.85 59.27 1uaa n ARG 455 Cb 0.34 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.61 1uaa n ARG 455 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1uaa n PHE 456 N -5.39 0.00 -0.28 -0.14 7.35 -0.64 -1.65 117.46 116.71 1uaa n PHE 456 Ca 0.09 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 57.12 1uaa n PHE 456 Cb 0.37 -0.27 0.66 0.00 0.35 0.00 0.00 39.48 40.58 1uaa n PHE 456 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1uaa h THR 457 N 0.00 0.17 0.41 -2.13 1.35 -0.62 0.36 112.91 112.45 1uaa h THR 457 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1uaa h THR 457 Cb 0.00 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 1uaa h THR 457 CO 0.00 0.00 -0.20 -0.74 -0.25 0.00 0.00 175.52 174.33 1uaa h HIS 458 N 0.00 -0.51 -0.70 4.73 -0.00 -0.52 -0.28 115.15 117.87 1uaa h HIS 458 Ca 0.54 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 61.03 1uaa h HIS 458 Cb 2.58 0.17 -0.13 0.00 -0.00 0.00 0.00 27.41 30.02 1uaa h HIS 458 CO 0.00 -0.22 -0.27 2.35 -0.00 0.00 0.00 177.93 179.79 1uaa h TRP 459 N -1.06 -0.68 -0.34 5.26 7.01 0.59 0.69 115.95 127.42 1uaa h TRP 459 Ca -0.06 0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.09 1uaa h TRP 459 Cb 0.51 0.41 -0.07 0.00 -2.10 0.00 0.00 29.16 27.91 1uaa h TRP 459 CO 0.02 -0.36 -0.16 1.25 -2.79 0.00 0.00 178.44 176.41 1uaa h LEU 460 N -0.07 -0.53 -0.17 0.65 5.85 -1.05 0.25 115.31 120.23 1uaa h LEU 460 Ca 0.31 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.21 1uaa h LEU 460 Cb 0.56 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1uaa h LEU 460 CO -0.75 -0.19 -0.32 0.00 -0.34 0.00 0.00 178.44 176.84 1uaa h ALA 461 N 1.16 -0.33 -0.81 1.25 0.00 0.21 0.51 119.26 121.25 1uaa h ALA 461 Ca 0.17 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.28 1uaa h ALA 461 Cb 0.36 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1uaa h ALA 461 CO -0.40 -0.78 0.35 0.93 0.00 0.00 0.00 179.25 179.34 1uaa h GLU 462 N -0.37 0.45 -0.01 0.00 4.39 0.13 0.89 114.58 120.06 1uaa h GLU 462 Ca 0.11 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1uaa h GLU 462 Cb 0.54 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1uaa h GLU 462 CO -0.38 0.30 0.00 0.82 -1.16 0.00 0.00 179.01 178.60 1uaa h ILE 463 N 0.47 1.18 -0.39 3.13 5.03 0.74 -0.94 117.51 126.71 1uaa h ILE 463 Ca 0.46 -0.53 0.08 0.00 -0.12 0.00 0.00 64.86 64.75 1uaa h ILE 463 Cb 0.74 1.51 -0.09 0.00 -3.03 0.00 0.00 36.82 35.95 1uaa h ILE 463 CO -0.43 0.14 -0.35 -0.61 -0.68 0.00 0.00 178.15 176.22 1uaa h GLN 464 N -0.20 -0.27 -0.29 2.37 4.15 0.28 0.31 115.11 121.47 1uaa h GLN 464 Ca 0.00 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1uaa h GLN 464 Cb 0.22 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.90 1uaa h GLN 464 CO -0.00 -0.18 -0.40 -0.09 -1.93 0.00 0.00 178.83 176.24 1uaa h ARG 465 N -0.28 -0.36 0.46 1.69 9.65 0.98 -2.78 114.38 123.74 1uaa h ARG 465 Ca 0.16 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1uaa h ARG 465 Cb 0.55 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1uaa h ARG 465 CO -0.54 -0.24 -0.36 1.25 2.80 0.00 0.00 179.97 182.87 1uaa h LEU 466 N -0.38 -0.96 -1.23 3.80 5.85 0.06 -2.87 115.31 119.58 1uaa h LEU 466 Ca 0.12 0.07 0.36 0.00 0.84 0.00 0.00 57.88 59.27 1uaa h LEU 466 Cb 0.59 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1uaa h LEU 466 CO -0.49 -0.51 0.88 0.00 -0.34 0.00 0.00 178.44 177.98 1uaa n ALA 467 N -2.61 1.18 -0.33 1.25 0.00 0.98 -0.09 120.51 120.89 1uaa n ALA 467 Ca -0.10 0.43 0.29 0.00 0.00 0.00 0.00 53.44 54.06 1uaa n ALA 467 Cb 0.35 -0.72 0.55 0.00 0.00 0.00 0.00 19.45 19.63 1uaa n ALA 467 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1uaa h GLU 468 N 0.00 0.12 0.00 0.00 4.39 -1.46 -2.41 114.58 115.23 1uaa h GLU 468 Ca 0.59 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.98 1uaa h GLU 468 Cb 2.36 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 30.93 1uaa h GLU 468 CO -0.03 0.08 -2.01 0.54 -1.16 0.00 0.00 179.01 176.43 1uaa n ARG 469 N -5.16 0.38 -3.27 2.33 1.74 0.88 -4.88 116.66 108.68 1uaa n ARG 469 Ca 0.36 0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 57.31 1uaa n ARG 469 Cb 1.18 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 31.42 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 -3.81 2.97 -0.15 5.56 1.02 -1.13 -4.99 120.64 120.11 1uaa n GLU 470 Ca -0.36 -4.69 -0.04 0.00 -0.02 0.00 0.00 57.16 52.05 1uaa n GLU 470 Cb 0.75 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 1uaa n GLU 470 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1uaa n PRO 471 N 0.70 -0.15 0.19 3.49 -0.02 -0.92 -0.54 135.00 137.75 1uaa n PRO 471 Ca 0.30 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.57 1uaa n PRO 471 Cb 0.39 -1.39 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1uaa n PRO 471 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1uaa h ILE 472 N 0.00 0.25 -1.14 4.25 -0.00 -1.94 0.34 117.51 119.28 1uaa h ILE 472 Ca 0.06 0.00 0.32 0.00 -0.00 0.00 0.00 64.86 65.24 1uaa h ILE 472 Cb 0.14 0.25 -0.10 0.00 -0.00 0.00 0.00 36.82 37.11 1uaa h ILE 472 CO -0.33 0.00 0.75 0.00 -0.00 0.00 0.00 178.15 178.57 1uaa h ALA 473 N -0.22 2.49 0.42 0.18 0.00 -1.49 1.68 119.26 122.32 1uaa h ALA 473 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1uaa h ALA 473 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1uaa h ALA 473 CO -0.11 -0.95 -0.20 0.00 0.00 0.00 0.00 179.25 177.99 1uaa h ALA 474 N 1.58 -0.77 -0.78 0.00 0.00 0.83 0.27 119.26 120.39 1uaa h ALA 474 Ca 0.65 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.61 1uaa h ALA 474 Cb 1.90 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.79 1uaa h ALA 474 CO -0.29 -0.73 0.22 0.28 0.00 0.00 0.00 179.25 178.74 1uaa h VAL 475 N -0.81 0.50 -0.46 0.00 2.07 0.11 0.73 116.25 118.39 1uaa h VAL 475 Ca -0.06 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1uaa h VAL 475 Cb 0.43 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 1uaa h VAL 475 CO 0.09 0.05 -0.14 -0.09 0.02 0.00 0.00 177.57 177.51 1uaa h ARG 476 N 0.30 -0.03 0.00 1.57 2.43 0.25 0.93 114.38 119.82 1uaa h ARG 476 Ca 0.45 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1uaa h ARG 476 Cb 0.79 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1uaa h ARG 476 CO -0.52 -0.02 -0.16 -0.44 -1.51 0.00 0.00 179.97 177.32 1uaa h ASP 477 N -0.03 0.00 -0.67 -3.80 3.32 0.39 -2.52 116.42 113.10 1uaa h ASP 477 Ca 0.22 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1uaa h ASP 477 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1uaa h ASP 477 CO -0.49 0.16 0.18 0.25 -1.72 0.00 0.00 179.24 177.62 1uaa h LEU 478 N 0.00 1.01 0.32 1.55 5.85 0.20 0.63 115.31 124.87 1uaa h LEU 478 Ca -0.00 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1uaa h LEU 478 Cb 0.79 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1uaa h LEU 478 CO 0.02 0.97 -0.16 0.40 -0.34 0.00 0.00 178.44 179.33 1uaa h ILE 479 N 1.00 0.00 -0.57 4.05 1.08 -0.93 -3.03 117.51 119.11 1uaa h ILE 479 Ca 0.21 -0.25 0.13 0.00 -0.39 0.00 0.00 64.86 64.57 1uaa h ILE 479 Cb 0.34 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.06 1uaa h ILE 479 CO -0.00 0.00 0.40 0.45 -0.69 0.00 0.00 178.15 178.31 1uaa h HIS 480 N -0.69 0.20 -0.25 1.37 3.86 -1.47 -2.59 115.15 115.58 1uaa h HIS 480 Ca -0.04 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1uaa h HIS 480 Cb 0.33 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 1uaa h HIS 480 CO 0.06 0.08 0.02 0.78 0.86 0.00 0.00 177.93 179.73 1uaa h GLY 481 N 0.18 0.26 -0.51 2.45 0.00 0.40 -1.61 103.07 104.24 1uaa h GLY 481 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1uaa h GLY 481 CO -0.04 -0.04 -0.01 1.15 0.00 0.00 0.00 176.54 177.60 1uaa n MET 482 N -5.13 1.67 -3.42 4.80 0.00 -1.13 -4.95 117.12 108.96 1uaa n MET 482 Ca -0.01 -0.99 -0.19 0.00 0.00 0.00 0.00 57.70 56.51 1uaa n MET 482 Cb 0.13 -1.48 0.08 0.00 0.00 0.00 0.00 33.22 31.94 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 0.20 -4.13 -0.33 3.17 -0.08 -0.61 -4.81 116.55 109.96 1uaa n ASP 483 Ca 0.19 -0.53 0.05 0.00 -1.51 0.00 0.00 54.79 52.98 1uaa n ASP 483 Cb 0.36 -4.72 0.20 0.00 2.34 0.00 0.00 41.12 39.30 1uaa n ASP 483 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1uaa h TYR 484 N -2.14 1.01 -0.03 -0.67 3.20 -1.81 -0.36 116.97 116.16 1uaa h TYR 484 Ca -0.53 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1uaa h TYR 484 Cb 1.33 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1uaa h TYR 484 CO 0.43 0.41 -0.04 1.49 -1.64 0.00 0.00 178.16 178.81 1uaa h GLU 485 N 0.90 -0.02 -0.76 1.82 4.81 -1.89 0.27 114.58 119.71 1uaa h GLU 485 Ca 0.45 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.86 1uaa h GLU 485 Cb 0.43 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.68 1uaa h GLU 485 CO -0.26 -0.02 -0.00 1.03 -0.73 0.00 0.00 179.01 179.03 1uaa h SER 486 N -0.03 -0.37 -0.56 1.04 0.87 -1.77 0.54 113.55 113.29 1uaa h SER 486 Ca 0.01 0.20 0.11 0.00 -1.23 0.00 0.00 61.79 60.87 1uaa h SER 486 Cb 0.04 0.35 -0.11 0.00 -0.44 0.00 0.00 62.40 62.24 1uaa h SER 486 CO -0.04 -0.19 -0.26 -0.25 -0.53 0.00 0.00 176.83 175.56 1uaa h TRP 487 N 0.09 -0.68 -0.58 2.24 -0.00 0.10 0.15 115.95 117.28 1uaa h TRP 487 Ca 0.42 0.06 0.04 0.00 -0.00 0.00 0.00 58.89 59.41 1uaa h TRP 487 Cb 0.73 0.38 -0.05 0.00 -0.00 0.00 0.00 29.16 30.23 1uaa h TRP 487 CO -0.43 -0.34 0.33 -0.07 -0.00 0.00 0.00 178.44 177.93 1uaa h LEU 488 N -0.12 0.50 -1.01 0.65 3.38 0.32 0.93 115.31 119.96 1uaa h LEU 488 Ca 0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1uaa h LEU 488 Cb 0.51 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1uaa h LEU 488 CO -0.63 0.34 0.00 -1.22 0.09 0.00 0.00 178.44 177.02 1uaa n TYR 489 N -4.80 0.53 -0.13 1.13 4.01 0.45 0.90 117.16 119.24 1uaa n TYR 489 Ca 0.06 0.27 -0.29 0.00 -0.16 0.00 0.00 57.90 57.79 1uaa n TYR 489 Cb 0.13 -0.94 -0.10 0.00 -0.31 0.00 0.00 39.34 38.12 1uaa n TYR 489 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1uaa n GLU 490 N -2.04 0.57 -0.12 -0.72 1.02 -0.06 -4.64 120.64 114.65 1uaa n GLU 490 Ca -0.01 0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1uaa n GLU 490 Cb 0.03 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 1uaa n GLU 490 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uaa h THR 491 N -0.97 1.27 -3.99 2.62 1.03 -0.07 -3.45 112.91 109.35 1uaa h THR 491 Ca -0.67 -1.05 -0.54 0.00 -0.01 0.00 0.00 66.41 64.15 1uaa h THR 491 Cb 1.58 1.24 0.11 0.00 -1.07 0.00 0.00 68.15 70.01 1uaa h THR 491 CO -0.41 0.35 0.64 -0.44 -0.01 0.00 0.00 175.52 175.65 1uaa s SER 492 N -6.19 5.87 0.00 0.00 0.01 0.26 -5.01 113.70 108.64 1uaa s SER 492 Ca -0.13 2.76 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1uaa s SER 492 Cb 0.09 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1uaa s SER 492 CO 0.79 -1.16 0.00 -2.65 0.41 0.00 0.00 173.24 170.62 1uaa n PRO 493 N -0.33 0.00 -0.95 12.44 -0.02 -1.26 -4.76 135.00 140.12 1uaa n PRO 493 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1uaa n PRO 493 Cb 0.44 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.10 1uaa n PRO 493 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uaa s SER 494 N -2.27 2.45 0.08 2.55 0.15 -1.26 -4.94 113.70 110.45 1uaa s SER 494 Ca 0.00 1.49 -0.15 0.00 0.70 0.00 0.00 55.95 57.99 1uaa s SER 494 Cb 0.00 -2.17 -0.15 0.00 -1.71 0.00 0.00 66.02 61.99 1uaa s SER 494 CO 0.00 -3.28 1.30 -0.65 1.20 0.00 0.00 173.24 171.81 1uaa h PRO 495 N -1.99 0.66 -0.97 5.44 0.11 -1.93 -3.26 132.00 130.06 1uaa h PRO 495 Ca -0.54 -0.49 0.16 0.00 0.11 0.00 0.00 66.00 65.24 1uaa h PRO 495 Cb 1.31 0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.41 1uaa h PRO 495 CO 0.53 1.11 0.58 0.87 -0.21 0.00 0.00 178.00 180.88 1uaa h LYS 496 N 0.35 0.78 -0.46 1.05 1.57 -1.98 0.18 116.57 118.05 1uaa h LYS 496 Ca -0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1uaa h LYS 496 Cb 1.16 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1uaa h LYS 496 CO 0.11 0.52 0.10 0.00 -0.57 0.00 0.00 179.45 179.61 1uaa h ALA 497 N 1.59 1.31 0.79 3.86 0.00 -1.94 0.18 119.26 125.06 1uaa h ALA 497 Ca 0.53 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1uaa h ALA 497 Cb 0.72 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1uaa h ALA 497 CO -0.34 0.49 -0.38 0.00 0.00 0.00 0.00 179.25 179.01 1uaa h ALA 498 N 1.43 -1.06 -0.88 0.00 0.00 -0.78 1.62 119.26 119.59 1uaa h ALA 498 Ca 0.15 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1uaa h ALA 498 Cb 0.27 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1uaa h ALA 498 CO -0.00 -1.05 0.35 1.49 0.00 0.00 0.00 179.25 180.04 1uaa h GLU 499 N -1.15 0.34 0.72 0.00 4.81 -0.56 1.39 114.58 120.12 1uaa h GLU 499 Ca -0.11 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1uaa h GLU 499 Cb 0.82 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1uaa h GLU 499 CO 0.18 0.23 -0.35 1.98 -0.73 0.00 0.00 179.01 180.32 1uaa h MET 500 N 0.35 -0.93 -1.02 1.92 4.05 -0.03 0.72 114.93 119.99 1uaa h MET 500 Ca 0.55 0.06 0.32 0.00 -0.28 0.00 0.00 59.70 60.36 1uaa h MET 500 Cb 1.05 0.21 -0.15 0.00 -0.80 0.00 0.00 31.60 31.92 1uaa h MET 500 CO -0.55 -0.61 0.59 0.00 0.23 0.00 0.00 176.91 176.57 1uaa h ARG 501 N -1.23 0.31 0.36 0.39 3.08 0.52 0.73 114.38 118.54 1uaa h ARG 501 Ca -0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1uaa h ARG 501 Cb 0.75 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1uaa h ARG 501 CO 0.16 0.21 -0.17 1.98 -1.07 0.00 0.00 179.97 181.08 1uaa h MET 502 N 0.32 -0.46 -0.79 0.04 4.05 0.22 -2.28 114.93 116.03 1uaa h MET 502 Ca 0.73 0.03 0.18 0.00 -0.28 0.00 0.00 59.70 60.36 1uaa h MET 502 Cb 1.70 0.10 -0.14 0.00 -0.80 0.00 0.00 31.60 32.46 1uaa h MET 502 CO -0.58 -0.15 -0.07 0.87 0.23 0.00 0.00 176.91 177.21 1uaa h LYS 503 N -0.79 0.05 -0.86 0.39 1.57 0.65 0.52 116.57 118.10 1uaa h LYS 503 Ca -0.05 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.88 1uaa h LYS 503 Cb 0.52 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.72 1uaa h LYS 503 CO 0.08 0.04 0.45 -0.91 -0.57 0.00 0.00 179.45 178.53 1uaa h ASN 504 N 0.05 0.54 0.42 0.86 2.35 -0.21 0.21 115.58 119.79 1uaa h ASN 504 Ca 0.42 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.25 1uaa h ASN 504 Cb 0.72 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1uaa h ASN 504 CO -0.74 0.21 -0.29 0.58 -1.65 0.00 0.00 177.43 175.54 1uaa h VAL 505 N 0.62 0.40 -0.14 2.81 2.07 0.55 -1.75 116.25 120.82 1uaa h VAL 505 Ca 0.48 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.01 1uaa h VAL 505 Cb 0.69 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1uaa h VAL 505 CO -0.37 0.00 -0.23 0.78 0.02 0.00 0.00 177.57 177.76 1uaa h ASN 506 N -0.69 -0.77 -0.84 0.57 2.35 0.15 -0.51 115.58 115.85 1uaa h ASN 506 Ca -0.04 0.10 0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1uaa h ASN 506 Cb 0.58 0.31 -0.11 0.00 0.05 0.00 0.00 38.32 39.15 1uaa h ASN 506 CO 0.02 -0.18 -0.45 1.67 -1.65 0.00 0.00 177.43 176.84 1uaa n GLN 507 N -3.80 -0.33 -0.25 0.81 -0.06 -0.27 0.19 117.38 113.67 1uaa n GLN 507 Ca -0.02 1.27 0.05 0.00 -2.00 0.00 0.00 57.00 56.31 1uaa n GLN 507 Cb 0.15 -1.87 0.18 0.00 -4.06 0.00 0.00 30.24 24.64 1uaa n GLN 507 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1uaa h LEU 508 N 0.00 0.06 -0.09 1.69 5.85 -0.23 0.11 115.31 122.70 1uaa h LEU 508 Ca 0.17 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1uaa h LEU 508 Cb 0.38 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1uaa h LEU 508 CO -0.80 -0.01 -0.21 0.15 -0.34 0.00 0.00 178.44 177.23 1uaa h PHE 509 N 0.30 -0.64 -0.53 1.25 3.57 0.33 -0.26 116.94 120.96 1uaa h PHE 509 Ca 0.41 0.03 0.09 0.00 3.53 0.00 0.00 57.97 62.03 1uaa h PHE 509 Cb 0.69 0.29 -0.11 0.00 2.79 0.00 0.00 35.95 39.61 1uaa h PHE 509 CO -0.24 -0.20 -0.35 0.77 -2.23 0.00 0.00 178.31 176.06 1uaa h SER 510 N -0.19 -1.20 -0.02 0.41 0.02 0.09 0.28 113.55 112.94 1uaa h SER 510 Ca 0.02 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1uaa h SER 510 Cb 0.25 0.58 -0.05 0.00 0.14 0.00 0.00 62.40 63.31 1uaa h SER 510 CO -0.19 -0.32 -0.29 -0.50 -1.14 0.00 0.00 176.83 174.39 1uaa h TRP 511 N -0.20 -0.79 -0.79 3.45 6.55 -0.87 0.13 115.95 123.43 1uaa h TRP 511 Ca 0.21 0.03 0.16 0.00 0.95 0.00 0.00 58.89 60.23 1uaa h TRP 511 Cb 0.55 0.35 -0.15 0.00 -0.86 0.00 0.00 29.16 29.05 1uaa h TRP 511 CO -0.62 -0.38 -0.22 1.98 -1.05 0.00 0.00 178.44 178.15 1uaa h MET 512 N -0.43 -0.01 0.00 0.49 1.85 0.75 0.28 114.93 117.86 1uaa h MET 512 Ca 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1uaa h MET 512 Cb 0.52 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1uaa h MET 512 CO -0.26 -0.01 0.00 2.41 -0.40 0.00 0.00 176.91 178.65 1uaa n THR 513 N -5.52 0.00 -0.05 -0.77 -1.04 0.82 -0.94 114.28 106.78 1uaa n THR 513 Ca 0.11 1.29 0.25 0.00 -2.04 0.00 0.00 64.05 63.65 1uaa n THR 513 Cb 0.40 -2.08 0.71 0.00 -1.82 0.00 0.00 70.33 67.55 1uaa n THR 513 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1uaa h GLU 514 N 0.00 0.00 -0.28 -2.82 4.11 -0.67 1.19 114.58 116.10 1uaa h GLU 514 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1uaa h GLU 514 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1uaa h GLU 514 CO 0.00 0.00 0.06 0.52 0.07 0.00 0.00 179.01 179.66 1uaa h MET 515 N 0.00 0.45 0.10 1.06 2.86 0.76 -2.01 114.93 118.15 1uaa h MET 515 Ca 0.32 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1uaa h MET 515 Cb 1.52 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1uaa h MET 515 CO -0.00 0.54 -0.05 -0.07 1.06 0.00 0.00 176.91 178.39 1uaa h LEU 516 N 0.28 -0.11 -0.31 1.22 3.38 0.29 -2.78 115.31 117.29 1uaa h LEU 516 Ca 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1uaa h LEU 516 Cb 0.30 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uaa h LEU 516 CO 0.00 0.24 0.09 -0.62 0.09 0.00 0.00 178.44 178.25 1uaa n GLU 517 N -4.99 0.03 -1.33 1.13 -0.58 0.21 -3.26 120.64 111.85 1uaa n GLU 517 Ca -0.08 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1uaa n GLU 517 Cb 0.21 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1uaa n GLU 517 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uaa n GLY 518 N -1.39 -4.41 3.92 0.62 0.00 -0.76 -4.91 105.19 98.28 1uaa n GLY 518 Ca -0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 1uaa n GLY 518 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uaa s SER 519 N -2.90 6.12 -0.87 1.61 0.15 -0.89 -4.84 113.70 112.08 1uaa s SER 519 Ca 0.00 0.72 0.01 0.00 0.70 0.00 0.00 55.95 57.38 1uaa s SER 519 Cb 0.00 -2.04 0.28 0.00 -1.71 0.00 0.00 66.02 62.55 1uaa s SER 519 CO 0.00 -0.60 1.15 -0.62 1.20 0.00 0.00 173.24 174.36 1uaa n GLU 520 N -2.19 3.60 0.00 5.44 4.71 -1.26 -3.67 120.64 127.27 1uaa n GLU 520 Ca 0.00 -4.62 0.00 0.00 -0.01 0.00 0.00 57.16 52.53 1uaa n GLU 520 Cb 0.56 -2.39 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 1uaa n GLU 520 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1uaa n LEU 521 N 1.07 0.00 -3.86 -4.62 7.94 -1.26 -5.09 117.00 111.17 1uaa n LEU 521 Ca 0.28 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.01 1uaa n LEU 521 Cb 0.37 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.16 1uaa n LEU 521 CO 0.58 0.00 -0.39 -1.81 -1.11 0.00 0.00 177.39 174.66 1uaa s ASP 522 N 0.00 0.58 0.25 1.96 1.11 -1.24 -4.37 116.67 114.95 1uaa s ASP 522 Ca 0.00 -0.07 -0.30 0.00 0.18 0.00 0.00 52.55 52.37 1uaa s ASP 522 Cb 0.00 -0.26 -0.10 0.00 1.07 0.00 0.00 42.92 43.64 1uaa s ASP 522 CO 0.00 -0.06 1.34 -1.61 1.18 0.00 0.00 175.17 176.02 1uaa s GLU 523 N 0.77 4.35 0.87 8.23 0.41 -1.26 -2.11 118.70 129.97 1uaa s GLU 523 Ca -0.09 2.16 -0.17 0.00 -0.41 0.00 0.00 54.97 56.46 1uaa s GLU 523 Cb -0.12 -3.14 -0.12 0.00 -1.78 0.00 0.00 34.13 28.97 1uaa s GLU 523 CO -0.01 -0.27 -0.45 -0.35 -0.49 0.00 0.00 175.26 173.70 1uaa n PRO 524 N 2.06 -0.01 -4.40 0.39 -0.04 -1.26 -4.77 135.00 126.97 1uaa n PRO 524 Ca 0.05 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 1uaa n PRO 524 Cb 0.42 -1.14 -0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.00 1.46 0.41 0.54 -1.94 -1.07 -4.94 119.30 111.77 1uaa s MET 525 Ca 0.47 -1.43 -0.13 0.00 -1.71 0.00 0.00 55.69 52.90 1uaa s MET 525 Cb -0.26 -1.88 -0.07 0.00 2.01 0.00 0.00 34.83 34.62 1uaa s MET 525 CO 0.76 0.43 0.81 0.95 -0.01 0.00 0.00 175.02 177.96 1uaa s THR 526 N -1.34 4.70 0.51 2.05 -4.23 -1.26 -4.40 115.64 111.67 1uaa s THR 526 Ca 0.17 0.83 0.20 0.00 -1.18 0.00 0.00 61.69 61.70 1uaa s THR 526 Cb -0.09 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.32 1uaa s THR 526 CO 0.08 -0.48 2.13 0.25 -0.54 0.00 0.00 174.62 176.05 1uaa h LEU 527 N 1.40 0.00 -1.05 4.79 5.85 -1.97 -1.12 115.31 123.22 1uaa h LEU 527 Ca -0.47 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1uaa h LEU 527 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1uaa h LEU 527 CO 0.64 0.06 0.03 0.74 -0.34 0.00 0.00 178.44 179.56 1uaa h THR 528 N 0.00 1.22 0.25 1.05 2.02 -1.94 -2.02 112.91 113.48 1uaa h THR 528 Ca -0.00 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1uaa h THR 528 Cb 0.11 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1uaa h THR 528 CO 0.01 0.32 -0.12 1.56 0.37 0.00 0.00 175.52 177.65 1uaa h GLN 529 N 0.67 -0.32 -0.88 6.66 4.20 -1.63 -2.14 115.11 121.67 1uaa h GLN 529 Ca 0.14 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.23 1uaa h GLN 529 Cb 0.38 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.08 1uaa h GLN 529 CO 0.01 0.04 0.49 0.28 -0.67 0.00 0.00 178.83 178.99 1uaa n VAL 530 N -5.02 -0.34 0.24 -0.54 0.31 -0.65 0.86 118.33 113.20 1uaa n VAL 530 Ca -0.08 1.69 -0.10 0.00 -0.01 0.00 0.00 64.34 65.84 1uaa n VAL 530 Cb 0.26 -2.75 -0.05 0.00 -0.91 0.00 0.00 33.84 30.39 1uaa n VAL 530 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uaa h VAL 531 N 0.00 0.00 -1.08 2.52 2.07 -1.11 -2.47 116.25 116.17 1uaa h VAL 531 Ca 0.72 -0.31 0.36 0.00 0.82 0.00 0.00 66.70 68.29 1uaa h VAL 531 Cb 1.96 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.59 1uaa h VAL 531 CO -0.62 0.00 0.65 0.74 0.02 0.00 0.00 177.57 178.36 1uaa h THR 532 N -0.97 0.24 0.91 2.57 2.02 0.11 0.43 112.91 118.22 1uaa h THR 532 Ca -0.07 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1uaa h THR 532 Cb 0.50 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1uaa h THR 532 CO 0.11 0.04 -0.49 0.03 0.37 0.00 0.00 175.52 175.58 1uaa h ARG 533 N 0.23 -1.24 -1.00 6.66 2.47 -0.80 -0.66 114.38 120.04 1uaa h ARG 533 Ca 0.76 0.08 0.22 0.00 -1.26 0.00 0.00 59.98 59.78 1uaa h ARG 533 Cb 1.96 0.28 -0.10 0.00 -1.65 0.00 0.00 29.97 30.46 1uaa h ARG 533 CO -0.55 -0.83 0.62 0.74 0.56 0.00 0.00 179.97 180.51 1uaa h PHE 534 N -1.29 0.87 -0.56 3.04 0.04 0.13 0.82 116.94 120.00 1uaa h PHE 534 Ca -0.12 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.72 1uaa h PHE 534 Cb 1.01 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 1uaa h PHE 534 CO -0.06 0.15 0.37 1.15 -0.60 0.00 0.00 178.31 179.32 1uaa h THR 535 N 0.59 1.03 -0.11 -1.55 2.02 0.80 0.82 112.91 116.50 1uaa h THR 535 Ca 0.58 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1uaa h THR 535 Cb 1.15 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1uaa h THR 535 CO -0.34 0.11 0.00 0.18 0.37 0.00 0.00 175.52 175.84 1uaa n LEU 536 N -4.47 1.41 -3.40 2.58 4.77 0.27 -4.87 117.00 113.29 1uaa n LEU 536 Ca 0.07 -0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 55.26 1uaa n LEU 536 Cb 0.19 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1uaa n LEU 536 CO 0.35 0.28 0.23 0.54 -1.33 0.00 0.00 177.39 177.46 1uaa n ARG 537 N 0.14 -7.46 -2.80 3.23 1.74 0.28 -4.82 116.66 106.97 1uaa n ARG 537 Ca 0.17 0.78 -0.44 0.00 -0.77 0.00 0.00 57.85 57.59 1uaa n ARG 537 Cb 0.30 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.07 1uaa n ARG 537 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1uaa n ASP 538 N -2.73 5.12 0.00 0.55 2.03 -0.77 -4.73 116.55 116.04 1uaa n ASP 538 Ca 0.01 -2.97 0.07 0.00 0.52 0.00 0.00 54.79 52.41 1uaa n ASP 538 Cb 0.56 -1.61 0.30 0.00 -0.72 0.00 0.00 41.12 39.64 1uaa n ASP 538 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1uaa n MET 539 N 6.17 0.01 -3.15 -0.67 -0.00 -1.26 -4.48 117.12 113.73 1uaa n MET 539 Ca 0.40 0.27 -0.11 0.00 -0.00 0.00 0.00 57.70 58.27 1uaa n MET 539 Cb 0.43 -1.51 0.01 0.00 -0.00 0.00 0.00 33.22 32.15 1uaa n MET 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1uaa n MET 540 N -1.52 -1.48 -0.13 3.17 0.00 -1.26 -4.88 117.12 111.01 1uaa n MET 540 Ca 0.03 1.44 -0.05 0.00 0.00 0.00 0.00 57.70 59.11 1uaa n MET 540 Cb 0.16 -2.50 0.01 0.00 0.00 0.00 0.00 33.22 30.89 1uaa n MET 540 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1uaa h GLU 541 N 2.96 -0.14 -7.13 3.17 3.07 -1.97 -3.52 114.58 111.03 1uaa h GLU 541 Ca -0.15 0.01 -0.46 0.00 -0.50 0.00 0.00 59.36 58.26 1uaa h GLU 541 Cb 0.92 0.03 0.08 0.00 -0.84 0.00 0.00 28.75 28.95 1uaa h GLU 541 CO 0.10 -0.10 0.11 1.03 -1.40 0.00 0.00 179.01 178.75 1uaa s ARG 542 N -6.11 1.75 0.00 2.33 0.52 -1.26 -5.26 118.95 110.92 1uaa s ARG 542 Ca -0.14 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1uaa s ARG 542 Cb 0.15 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1uaa s ARG 542 CO 0.70 -1.40 0.00 -0.85 0.02 0.00 0.00 175.30 173.76 1uaa n GLU 546 N -2.83 0.00 -2.64 3.54 0.00 -1.26 -5.25 120.64 112.20 1uaa n GLU 546 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.25 1uaa n GLU 546 Cb 0.60 0.00 0.05 0.00 0.00 0.00 0.00 31.44 32.09 1uaa n GLU 546 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1uaa n GLU 547 N 0.00 0.66 -1.63 3.44 0.00 -1.26 -5.17 120.64 116.68 1uaa n GLU 547 Ca 0.00 -1.18 -0.36 0.00 0.00 0.00 0.00 57.16 55.61 1uaa n GLU 547 Cb 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 31.44 31.51 1uaa n GLU 547 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1uaa s GLU 548 N 0.11 2.39 -0.46 3.44 2.02 -1.26 -4.93 118.70 120.02 1uaa s GLU 548 Ca 0.12 2.00 -0.28 0.00 0.02 0.00 0.00 54.97 56.83 1uaa s GLU 548 Cb 0.22 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 1uaa s GLU 548 CO -0.05 -1.70 1.79 -0.48 0.02 0.00 0.00 175.26 174.84 1uaa s LEU 549 N -4.61 3.42 -0.78 1.80 0.05 -1.26 -4.90 118.68 112.41 1uaa s LEU 549 Ca 0.81 0.86 -0.07 0.00 0.05 0.00 0.00 54.13 55.78 1uaa s LEU 549 Cb -0.36 -3.10 -0.13 0.00 -2.05 0.00 0.00 46.19 40.56 1uaa s LEU 549 CO 0.42 -1.97 2.74 -0.90 -0.55 0.00 0.00 176.35 176.09 1uaa n ASP 550 N 11.23 5.88 -3.79 1.48 5.75 -1.26 -4.72 116.55 131.13 1uaa n ASP 550 Ca 0.21 -2.39 -0.23 0.00 -0.01 0.00 0.00 54.79 52.38 1uaa n ASP 550 Cb 0.49 -1.26 -0.05 0.00 -1.03 0.00 0.00 41.12 39.27 1uaa n ASP 550 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uaa n GLN 551 N 3.36 0.96 -2.28 0.11 10.64 -1.26 -3.71 117.38 125.20 1uaa n GLN 551 Ca 0.52 -2.72 -0.42 0.00 -1.83 0.00 0.00 57.00 52.55 1uaa n GLN 551 Cb 0.41 0.94 -0.03 0.00 -0.86 0.00 0.00 30.24 30.69 1uaa n GLN 551 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1uaa s VAL 552 N -2.47 3.60 -0.91 -0.39 1.01 0.38 -0.69 120.40 120.93 1uaa s VAL 552 Ca 0.05 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 63.01 1uaa s VAL 552 Cb 0.00 -3.75 0.14 0.00 0.00 0.00 0.00 36.38 32.78 1uaa s VAL 552 CO 0.03 0.10 1.07 -1.10 0.00 0.00 0.00 175.10 175.20 1uaa s GLN 553 N 0.96 3.58 -0.28 2.72 1.11 0.18 -0.21 119.66 127.73 1uaa s GLN 553 Ca 0.61 -1.83 -0.11 0.00 0.01 0.00 0.00 55.36 54.04 1uaa s GLN 553 Cb -0.34 -4.83 -0.05 0.00 -1.01 0.00 0.00 33.01 26.78 1uaa s GLN 553 CO 0.30 -1.71 0.19 -1.17 0.01 0.00 0.00 175.29 172.92 1uaa s LEU 554 N 2.38 4.01 0.23 2.90 0.20 -0.93 -1.29 118.68 126.18 1uaa s LEU 554 Ca 0.30 -0.01 -0.22 0.00 0.69 0.00 0.00 54.13 54.89 1uaa s LEU 554 Cb -0.06 -2.12 0.04 0.00 -0.43 0.00 0.00 46.19 43.62 1uaa s LEU 554 CO -0.09 -0.05 0.70 0.00 -0.29 0.00 0.00 176.35 176.62 1uaa s MET 555 N 1.75 1.59 1.07 1.98 0.23 -0.37 0.12 119.30 125.67 1uaa s MET 555 Ca 0.07 -0.80 -0.13 0.00 -1.03 0.00 0.00 55.69 53.80 1uaa s MET 555 Cb -0.16 0.59 0.23 0.00 -1.53 0.00 0.00 34.83 33.96 1uaa s MET 555 CO 0.11 -0.72 1.07 0.99 -2.03 0.00 0.00 175.02 174.44 1uaa s THR 556 N -3.82 2.03 0.08 3.16 2.01 -1.26 -2.77 115.64 115.05 1uaa s THR 556 Ca 0.08 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.89 1uaa s THR 556 Cb -0.04 -2.35 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 1uaa s THR 556 CO 0.00 -0.01 1.54 -0.07 -0.69 0.00 0.00 174.62 175.39 1uaa h LEU 557 N -2.18 0.32 -1.49 4.42 -0.00 -0.36 -2.79 115.31 113.23 1uaa h LEU 557 Ca -0.57 -0.27 0.02 0.00 -0.00 0.00 0.00 57.88 57.06 1uaa h LEU 557 Cb 1.33 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.88 1uaa h LEU 557 CO 0.55 0.51 0.36 0.45 -0.00 0.00 0.00 178.44 180.31 1uaa h HIS 558 N 0.12 0.64 0.00 1.13 3.86 -1.87 -0.20 115.15 118.82 1uaa h HIS 558 Ca 0.06 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1uaa h HIS 558 Cb 0.33 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1uaa h HIS 558 CO 0.02 0.39 0.00 0.00 0.86 0.00 0.00 177.93 179.20 1uaa n ALA 559 N -2.46 2.26 -0.04 2.45 0.00 -1.06 -2.94 120.51 118.72 1uaa n ALA 559 Ca 0.06 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1uaa n ALA 559 Cb 0.10 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.24 1uaa n ALA 559 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1uaa h SER 560 N 0.00 0.24 0.00 0.00 0.02 -1.00 -3.46 113.55 109.35 1uaa h SER 560 Ca 0.00 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1uaa h SER 560 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1uaa h SER 560 CO 0.00 1.67 0.00 1.17 -1.14 0.00 0.00 176.83 178.53 1uaa n LYS 561 N -3.94 0.00 -2.25 3.45 4.81 -1.15 -2.44 118.16 116.63 1uaa n LYS 561 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.10 1uaa n LYS 561 Cb 0.87 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.90 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 0.00 -4.30 0.00 3.14 0.00 -1.26 -5.09 105.19 97.68 1uaa n GLY 562 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1uaa n GLY 562 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uaa n LEU 563 N 0.92 0.00 -4.07 0.99 -0.00 -1.02 -5.16 117.00 108.66 1uaa n LEU 563 Ca -0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.62 1uaa n LEU 563 Cb 0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.58 1uaa n LEU 563 CO 0.28 0.00 -0.45 -1.83 -0.00 0.00 0.00 177.39 175.39 1uaa s GLU 564 N -1.37 0.87 0.01 1.96 -1.05 -1.26 -4.66 118.70 113.20 1uaa s GLU 564 Ca 0.00 -0.48 0.02 0.00 -0.15 0.00 0.00 54.97 54.36 1uaa s GLU 564 Cb 0.00 -0.84 -0.01 0.00 -0.44 0.00 0.00 34.13 32.84 1uaa s GLU 564 CO 0.00 0.22 -0.07 -0.06 0.95 0.00 0.00 175.26 176.30 1uaa s PHE 565 N -0.42 0.65 0.15 4.83 0.08 0.26 -5.00 117.98 118.52 1uaa s PHE 565 Ca 0.03 -0.21 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 1uaa s PHE 565 Cb -0.05 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.02 1uaa s PHE 565 CO -0.00 -0.02 1.65 -1.00 -0.10 0.00 0.00 175.22 175.75 1uaa h PRO 566 N 5.57 0.79 -3.90 0.24 0.13 -1.85 1.02 132.00 134.00 1uaa h PRO 566 Ca -0.31 -0.19 -0.43 0.00 -0.87 0.00 0.00 66.00 64.20 1uaa h PRO 566 Cb 1.19 -0.10 -0.36 0.00 0.13 0.00 0.00 31.00 31.86 1uaa h PRO 566 CO 0.47 0.77 -0.77 0.71 -0.23 0.00 0.00 178.00 178.95 1uaa s TYR 567 N -5.29 0.77 0.14 1.56 2.02 -1.13 -0.57 117.35 114.86 1uaa s TYR 567 Ca -0.13 -0.23 0.10 0.00 -0.37 0.00 0.00 57.07 56.44 1uaa s TYR 567 Cb 0.11 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.87 1uaa s TYR 567 CO 0.79 -0.27 -0.19 0.08 -1.57 0.00 0.00 175.55 174.39 1uaa s VAL 568 N 1.42 2.73 -0.51 0.71 1.01 -1.13 -1.26 120.40 123.38 1uaa s VAL 568 Ca -0.03 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.33 1uaa s VAL 568 Cb -0.13 -2.27 0.16 0.00 0.00 0.00 0.00 36.38 34.13 1uaa s VAL 568 CO -0.03 0.03 0.35 -0.31 0.00 0.00 0.00 175.10 175.14 1uaa s TYR 569 N -1.30 2.16 -0.78 5.22 1.51 0.36 -2.11 117.35 122.40 1uaa s TYR 569 Ca 0.19 -2.65 -0.22 0.00 -1.01 0.00 0.00 57.07 53.37 1uaa s TYR 569 Cb -0.10 -1.82 -0.16 0.00 -0.11 0.00 0.00 41.96 39.78 1uaa s TYR 569 CO 0.10 -0.73 1.91 -1.33 -1.11 0.00 0.00 175.55 174.40 1uaa n MET 570 N 2.87 1.45 -0.70 -0.62 2.81 -0.83 -2.07 117.12 120.03 1uaa n MET 570 Ca 0.18 -1.88 -0.31 0.00 -1.81 0.00 0.00 57.70 53.89 1uaa n MET 570 Cb 0.39 -2.99 0.17 0.00 -0.71 0.00 0.00 33.22 30.08 1uaa n MET 570 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1uaa s VAL 571 N 5.73 2.11 -0.99 2.03 -7.23 -1.20 -3.62 120.40 117.23 1uaa s VAL 571 Ca 0.59 0.03 -0.09 0.00 -1.81 0.00 0.00 61.98 60.71 1uaa s VAL 571 Cb 0.13 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1uaa s VAL 571 CO 0.13 -0.04 0.81 0.61 -0.31 0.00 0.00 175.10 176.29 1uaa n GLY 572 N 0.21 -1.14 1.65 2.32 0.00 0.48 -4.70 105.19 104.01 1uaa n GLY 572 Ca 0.11 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.15 1.61 -2.43 1.61 2.81 0.84 -3.83 117.12 114.59 1uaa n MET 573 Ca -0.08 -1.37 -0.24 0.00 -1.81 0.00 0.00 57.70 54.20 1uaa n MET 573 Cb 0.59 -1.54 0.09 0.00 -0.71 0.00 0.00 33.22 31.65 1uaa n MET 573 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1uaa s GLU 574 N -1.53 1.88 0.00 0.03 1.03 -1.26 0.24 118.70 119.09 1uaa s GLU 574 Ca 0.26 -0.75 0.00 0.00 0.03 0.00 0.00 54.97 54.51 1uaa s GLU 574 Cb 0.22 -2.27 0.00 0.00 -0.80 0.00 0.00 34.13 31.27 1uaa s GLU 574 CO 0.03 -1.34 0.57 -1.91 -1.33 0.00 0.00 175.26 171.27 1uaa n GLU 575 N -2.85 0.00 -0.25 -4.83 4.07 0.12 -2.74 120.64 114.16 1uaa n GLU 575 Ca 0.12 0.23 -0.06 0.00 -0.06 0.00 0.00 57.16 57.38 1uaa n GLU 575 Cb 0.60 -1.12 -0.06 0.00 -0.06 0.00 0.00 31.44 30.80 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 -0.06 -1.78 0.00 8.31 0.00 -1.25 -2.43 105.19 107.98 1uaa n GLY 576 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -4.58 0.00 0.00 1.61 3.01 -1.25 -2.11 117.46 114.14 1uaa n PHE 577 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1uaa n PHE 577 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1uaa n PHE 577 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1uaa n LEU 578 N -0.06 0.00 -4.56 4.37 0.00 -1.11 -1.71 117.00 113.93 1uaa n LEU 578 Ca 0.00 0.36 -0.39 0.00 0.00 0.00 0.00 56.01 55.98 1uaa n LEU 578 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 1uaa n LEU 578 CO 0.00 0.00 1.66 -2.84 0.00 0.00 0.00 177.39 176.21 1uaa s PRO 579 N -0.71 2.68 0.33 1.96 0.02 -1.02 -4.84 135.00 133.43 1uaa s PRO 579 Ca 0.00 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 61.65 1uaa s PRO 579 Cb 0.00 -4.38 -0.10 0.00 0.02 0.00 0.00 34.50 30.03 1uaa s PRO 579 CO 0.00 -2.65 1.33 -1.58 -0.33 0.00 0.00 177.00 173.78 1uaa s HIS 580 N 9.16 2.99 0.21 6.54 2.46 -0.70 -3.97 115.29 131.99 1uaa s HIS 580 Ca 0.75 1.37 -0.10 0.00 0.47 0.00 0.00 55.06 57.55 1uaa s HIS 580 Cb -0.15 -3.73 0.30 0.00 -0.13 0.00 0.00 32.58 28.87 1uaa s HIS 580 CO 0.24 -2.03 1.69 1.96 -2.47 0.00 0.00 174.74 174.14 1uaa h GLN 581 N 3.40 0.22 -0.94 2.88 7.50 -1.65 0.68 115.11 127.19 1uaa h GLN 581 Ca -0.49 -0.01 0.14 0.00 0.50 0.00 0.00 58.65 58.79 1uaa h GLN 581 Cb 1.23 -0.05 -0.15 0.00 0.05 0.00 0.00 27.48 28.56 1uaa h GLN 581 CO 0.66 0.14 -0.38 -1.13 -1.50 0.00 0.00 178.83 176.62 1uaa n SER 582 N -5.16 -0.64 -0.03 1.46 3.41 -1.26 0.12 113.62 111.52 1uaa n SER 582 Ca 0.09 1.65 -0.13 0.00 -0.26 0.00 0.00 58.87 60.22 1uaa n SER 582 Cb 0.34 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.83 1uaa n SER 582 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1uaa h SER 583 N 0.00 0.15 -0.32 4.04 0.02 -1.17 -3.22 113.55 113.05 1uaa h SER 583 Ca 0.31 -0.50 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1uaa h SER 583 Cb 0.55 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1uaa h SER 583 CO -0.93 0.62 -0.31 0.40 -1.14 0.00 0.00 176.83 175.46 1uaa h ILE 584 N -0.31 0.00 -1.01 3.27 2.04 0.64 -0.47 117.51 121.67 1uaa h ILE 584 Ca 0.01 0.00 -0.74 0.00 1.00 0.00 0.00 64.86 65.13 1uaa h ILE 584 Cb 0.58 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.55 1uaa h ILE 584 CO 0.02 0.00 2.47 -0.90 0.00 0.00 0.00 178.15 179.74 1uaa n ASP 585 N -4.20 6.31 0.00 1.72 5.68 0.32 -3.51 116.55 122.87 1uaa n ASP 585 Ca -0.01 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.24 1uaa n ASP 585 Cb 0.18 -1.47 0.00 0.00 -1.14 0.00 0.00 41.12 38.69 1uaa n ASP 585 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1uaa n GLU 586 N 3.37 0.00 0.00 0.11 4.07 -0.20 -4.85 120.64 123.14 1uaa n GLU 586 Ca 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1uaa n GLU 586 Cb 0.31 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 1uaa n GLU 586 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1uaa n ASP 587 N -0.52 0.00 -4.32 4.31 -0.08 -1.10 -5.03 116.55 109.80 1uaa n ASP 587 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1uaa n ASP 587 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 1uaa n ASP 587 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1uaa s ASN 588 N -1.39 3.94 0.00 1.67 2.47 -1.25 -4.85 114.94 115.53 1uaa s ASN 588 Ca 0.00 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 52.89 1uaa s ASN 588 Cb 0.00 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.18 1uaa s ASN 588 CO 0.00 0.10 0.00 2.30 -3.72 0.00 0.00 177.10 175.78 1uaa n ILE 589 N 3.95 0.00 -0.32 -5.21 -6.64 -1.26 -4.35 119.36 105.54 1uaa n ILE 589 Ca -0.18 0.00 0.18 0.00 -1.77 0.00 0.00 62.75 60.98 1uaa n ILE 589 Cb 0.52 0.09 0.35 0.00 -1.44 0.00 0.00 39.64 39.16 1uaa n ILE 589 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1uaa n ASP 590 N -0.52 0.01 0.23 7.28 8.00 -1.26 0.19 116.55 130.47 1uaa n ASP 590 Ca 0.00 1.57 -0.16 0.00 0.71 0.00 0.00 54.79 56.91 1uaa n ASP 590 Cb 0.02 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.42 1uaa n ASP 590 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1uaa h GLU 591 N 0.00 -0.73 -0.79 -1.24 4.39 -1.91 0.88 114.58 115.18 1uaa h GLU 591 Ca 0.62 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.49 1uaa h GLU 591 Cb 1.41 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 30.17 1uaa h GLU 591 CO -0.83 -0.49 0.52 0.93 -1.16 0.00 0.00 179.01 177.98 1uaa h GLU 592 N -0.76 0.61 0.22 2.33 4.39 0.18 0.18 114.58 121.74 1uaa h GLU 592 Ca -0.03 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1uaa h GLU 592 Cb 0.68 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1uaa h GLU 592 CO -0.06 0.41 -0.33 0.00 -1.16 0.00 0.00 179.01 177.86 1uaa h ARG 593 N 0.63 -0.56 -0.64 2.33 2.47 0.20 0.45 114.38 119.26 1uaa h ARG 593 Ca 0.38 0.04 0.12 0.00 -1.26 0.00 0.00 59.98 59.25 1uaa h ARG 593 Cb 0.59 0.13 -0.12 0.00 -1.65 0.00 0.00 29.97 28.92 1uaa h ARG 593 CO -0.15 -0.37 -0.30 0.00 0.56 0.00 0.00 179.97 179.71 1uaa h ARG 594 N -0.58 -0.11 -0.99 0.04 3.08 0.73 0.59 114.38 117.14 1uaa h ARG 594 Ca -0.03 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.16 1uaa h ARG 594 Cb 0.53 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.47 1uaa h ARG 594 CO -0.10 -0.07 -0.47 -0.11 -1.07 0.00 0.00 179.97 178.14 1uaa n LEU 595 N -5.45 -0.82 0.22 3.04 0.00 0.46 0.45 117.00 114.91 1uaa n LEU 595 Ca 0.06 1.74 -0.15 0.00 0.00 0.00 0.00 56.01 57.66 1uaa n LEU 595 Cb 0.36 -0.32 -0.08 0.00 0.00 0.00 0.00 43.42 43.38 1uaa n LEU 595 CO -0.00 -1.50 0.69 0.00 0.00 0.00 0.00 177.39 176.59 1uaa h ALA 596 N 0.98 -0.52 -0.74 1.96 0.00 0.21 -1.07 119.26 120.09 1uaa h ALA 596 Ca 0.26 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1uaa h ALA 596 Cb 0.51 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1uaa h ALA 596 CO -0.96 -0.75 -0.41 0.98 0.00 0.00 0.00 179.25 178.11 1uaa n TYR 597 N -5.28 -0.26 0.00 0.00 4.19 0.17 0.32 117.16 116.30 1uaa n TYR 597 Ca -0.11 0.92 0.00 0.00 3.31 0.00 0.00 57.90 62.03 1uaa n TYR 597 Cb 0.24 -0.60 0.00 0.00 0.49 0.00 0.00 39.34 39.47 1uaa n TYR 597 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1uaa n VAL 598 N -4.96 0.00 -0.19 2.97 0.31 0.16 -0.68 118.33 115.94 1uaa n VAL 598 Ca 0.03 1.34 0.07 0.00 -0.01 0.00 0.00 64.34 65.77 1uaa n VAL 598 Cb 0.21 -2.15 0.13 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.91 -0.81 0.17 2.92 0.00 0.15 0.41 105.19 107.13 1uaa n GLY 599 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.00 -0.61 2.04 0.72 -2.97 117.51 116.68 1uaa h ILE 600 Ca 0.31 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1uaa h ILE 600 Cb 0.60 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1uaa h ILE 600 CO -0.54 0.00 0.67 0.71 0.00 0.00 0.00 178.15 178.99 1uaa h THR 601 N -0.47 0.00 0.00 -0.27 1.35 0.23 -0.83 112.91 112.91 1uaa h THR 601 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 1uaa h THR 601 Cb 0.33 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 1uaa h THR 601 CO 0.07 0.00 -0.47 0.03 -0.25 0.00 0.00 175.52 174.90 1uaa h ARG 602 N 0.00 0.00 -6.10 4.72 2.47 -1.21 -3.44 114.38 110.81 1uaa h ARG 602 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1uaa h ARG 602 Cb 1.34 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.61 1uaa h ARG 602 CO 0.00 0.47 -0.14 0.00 0.56 0.00 0.00 179.97 180.86 1uaa s ALA 603 N -3.53 3.66 -0.18 0.04 0.00 -0.32 -0.58 121.76 120.85 1uaa s ALA 603 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.89 1uaa s ALA 603 Cb 0.11 -2.47 -0.16 0.00 0.00 0.00 0.00 23.12 20.60 1uaa s ALA 603 CO 0.72 0.46 -0.08 0.00 0.00 0.00 0.00 175.76 176.85 1uaa n GLN 604 N 1.71 0.88 -0.01 0.00 10.64 0.35 -4.52 117.38 126.43 1uaa n GLN 604 Ca -0.12 0.07 -0.01 0.00 -1.83 0.00 0.00 57.00 55.10 1uaa n GLN 604 Cb 0.52 -1.41 -0.00 0.00 -0.86 0.00 0.00 30.24 28.49 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 -2.89 0.08 -3.74 2.61 4.01 0.27 -1.00 118.16 117.50 1uaa n LYS 605 Ca -0.32 0.19 -0.15 0.00 -0.51 0.00 0.00 58.31 57.53 1uaa n LYS 605 Cb 0.94 -0.81 -0.15 0.00 -0.51 0.00 0.00 35.03 34.50 1uaa n LYS 605 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1uaa s GLU 606 N -1.25 0.04 0.18 1.97 -1.05 -0.24 -4.58 118.70 113.77 1uaa s GLU 606 Ca -0.03 0.33 0.04 0.00 -0.15 0.00 0.00 54.97 55.16 1uaa s GLU 606 Cb 0.00 -0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.44 1uaa s GLU 606 CO 0.05 -0.19 0.28 -1.17 0.95 0.00 0.00 175.26 175.18 1uaa s LEU 607 N 1.29 4.23 -0.18 1.83 2.96 -1.26 -2.82 118.68 124.72 1uaa s LEU 607 Ca -0.07 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1uaa s LEU 607 Cb -0.12 -2.80 0.09 0.00 0.50 0.00 0.00 46.19 43.87 1uaa s LEU 607 CO -0.05 0.02 0.32 0.42 -1.32 0.00 0.00 176.35 175.74 1uaa s THR 608 N -1.83 -0.51 0.95 3.68 -4.23 -0.90 -3.48 115.64 109.33 1uaa s THR 608 Ca 0.34 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 1uaa s THR 608 Cb -0.10 -0.62 0.22 0.00 1.34 0.00 0.00 72.50 73.34 1uaa s THR 608 CO 0.28 0.00 1.19 0.49 -0.54 0.00 0.00 174.62 176.04 1uaa n PHE 609 N 5.36 -3.97 -3.65 3.99 3.01 0.68 -1.96 117.46 120.93 1uaa n PHE 609 Ca -0.06 -1.05 -0.02 0.00 1.01 0.00 0.00 57.45 57.32 1uaa n PHE 609 Cb 0.50 -0.97 -0.07 0.00 -0.01 0.00 0.00 39.48 38.93 1uaa n PHE 609 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1uaa s THR 610 N -3.52 0.00 -0.01 4.37 2.01 -1.24 -3.47 115.64 113.78 1uaa s THR 610 Ca 0.69 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 1uaa s THR 610 Cb -0.03 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1uaa s THR 610 CO 0.49 0.00 0.03 -1.48 -0.69 0.00 0.00 174.62 172.97 1uaa s LEU 611 N 0.50 1.49 0.29 4.42 -0.00 -1.11 0.29 118.68 124.55 1uaa s LEU 611 Ca 0.01 0.04 -0.29 0.00 -0.00 0.00 0.00 54.13 53.89 1uaa s LEU 611 Cb -0.04 0.01 -0.10 0.00 -0.00 0.00 0.00 46.19 46.06 1uaa s LEU 611 CO -0.12 -0.07 1.17 0.00 -0.00 0.00 0.00 176.35 177.33 1uaa n LYS 613 N 1.17 0.26 -3.83 0.00 5.02 0.70 -4.80 118.16 116.69 1uaa n LYS 613 Ca -0.00 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 1uaa n LYS 613 Cb 0.44 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 1uaa n LYS 613 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1uaa s GLU 614 N -3.16 0.32 0.43 1.97 2.02 0.26 -4.23 118.70 116.30 1uaa s GLU 614 Ca 0.06 0.03 -0.06 0.00 0.02 0.00 0.00 54.97 55.02 1uaa s GLU 614 Cb 0.14 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1uaa s GLU 614 CO 0.75 -0.06 0.74 1.03 0.02 0.00 0.00 175.26 177.74 1uaa s ARG 615 N -0.42 3.60 -0.01 1.61 1.81 -0.99 -3.37 118.95 121.17 1uaa s ARG 615 Ca -0.05 0.20 0.10 0.00 -1.72 0.00 0.00 55.73 54.26 1uaa s ARG 615 Cb -0.03 -2.43 0.28 0.00 -0.45 0.00 0.00 34.95 32.32 1uaa s ARG 615 CO 0.01 -0.09 1.23 0.54 -0.68 0.00 0.00 175.30 176.30 1uaa n ARG 616 N -1.85 2.88 -2.64 3.54 1.74 -1.26 -4.40 116.66 114.67 1uaa n ARG 616 Ca 0.00 -2.02 -0.36 0.00 -0.77 0.00 0.00 57.85 54.70 1uaa n ARG 616 Cb 0.55 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 1uaa n ARG 616 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1uaa s GLN 617 N -1.10 4.27 -0.07 5.56 -1.52 -1.26 -3.94 119.66 121.59 1uaa s GLN 617 Ca 0.21 1.41 0.00 0.00 -1.95 0.00 0.00 55.36 55.03 1uaa s GLN 617 Cb 0.12 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1uaa s GLN 617 CO 0.13 -0.03 0.00 2.48 -0.25 0.00 0.00 175.29 177.62 1uaa n TYR 618 N -0.02 0.00 0.00 0.91 0.18 -1.26 -3.19 117.16 113.78 1uaa n TYR 618 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 1uaa n TYR 618 Cb 0.50 -0.91 0.00 0.00 -0.38 0.00 0.00 39.34 38.56 1uaa n TYR 618 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1uaa n GLY 619 N -1.37 2.88 0.00 -7.48 0.00 -1.25 -4.83 105.19 93.13 1uaa n GLY 619 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1uaa n GLY 619 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uaa n GLU 620 N -1.97 0.00 -3.62 1.61 -0.00 -1.19 -5.09 120.64 110.39 1uaa n GLU 620 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1uaa n GLU 620 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.43 1uaa n GLU 620 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1uaa s LEU 621 N 0.00 -0.08 -0.20 -1.84 0.20 -1.20 -4.73 118.68 110.82 1uaa s LEU 621 Ca 0.00 -0.10 -0.27 0.00 0.69 0.00 0.00 54.13 54.45 1uaa s LEU 621 Cb 0.00 1.40 0.08 0.00 -0.43 0.00 0.00 46.19 47.23 1uaa s LEU 621 CO 0.00 -0.29 0.76 0.54 -0.29 0.00 0.00 176.35 177.07 1uaa s VAL 622 N -2.44 0.00 -0.84 1.68 0.11 -1.26 -4.92 120.40 112.74 1uaa s VAL 622 Ca 0.13 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 1uaa s VAL 622 Cb 0.03 -1.00 0.22 0.00 -1.53 0.00 0.00 36.38 34.10 1uaa s VAL 622 CO -0.04 0.00 0.78 -0.13 -3.33 0.00 0.00 175.10 172.38 1uaa s ARG 623 N -0.15 3.61 0.45 1.54 3.00 -1.26 -2.35 118.95 123.78 1uaa s ARG 623 Ca -0.03 -2.50 -0.22 0.00 0.00 0.00 0.00 55.73 52.98 1uaa s ARG 623 Cb -0.03 -4.42 -0.09 0.00 0.00 0.00 0.00 34.95 30.41 1uaa s ARG 623 CO 0.03 -1.28 1.03 -1.25 0.00 0.00 0.00 175.30 173.83 1uaa s PRO 624 N 0.08 3.96 -0.14 3.54 0.04 -1.26 -5.07 135.00 136.15 1uaa s PRO 624 Ca 0.19 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1uaa s PRO 624 Cb -0.10 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1uaa s PRO 624 CO -0.09 -0.30 0.04 -1.21 0.04 0.00 0.00 177.00 175.48 1uaa s GLU 625 N -2.99 3.52 0.34 4.56 0.41 -1.26 -4.93 118.70 118.35 1uaa s GLU 625 Ca 0.64 -0.35 -0.23 0.00 -0.41 0.00 0.00 54.97 54.62 1uaa s GLU 625 Cb -0.17 -3.04 -0.16 0.00 -1.78 0.00 0.00 34.13 28.98 1uaa s GLU 625 CO 0.22 0.50 0.23 -0.35 -0.49 0.00 0.00 175.26 175.37 1uaa n PRO 626 N 2.79 0.01 -1.65 0.39 -0.04 -1.26 0.15 135.00 135.39 1uaa n PRO 626 Ca -0.18 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.78 1uaa n PRO 626 Cb 0.53 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.93 1uaa n PRO 626 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uaa n SER 627 N 2.22 3.01 -0.46 3.54 7.64 0.66 -4.06 113.62 126.16 1uaa n SER 627 Ca 0.13 0.88 0.38 0.00 1.01 0.00 0.00 58.87 61.27 1uaa n SER 627 Cb 0.35 -1.31 0.68 0.00 -1.01 0.00 0.00 64.21 62.92 1uaa n SER 627 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1uaa h ARG 628 N 9.49 0.09 -0.69 1.43 0.11 -1.87 0.99 114.38 123.93 1uaa h ARG 628 Ca -0.45 -0.01 0.13 0.00 0.10 0.00 0.00 59.98 59.76 1uaa h ARG 628 Cb 1.29 -0.02 -0.13 0.00 1.11 0.00 0.00 29.97 32.22 1uaa h ARG 628 CO 0.96 0.06 -0.28 0.74 0.10 0.00 0.00 179.97 181.56 1uaa h PHE 629 N 0.09 -0.72 -1.05 4.08 0.04 -1.95 0.37 116.94 117.81 1uaa h PHE 629 Ca 0.79 0.07 0.30 0.00 2.80 0.00 0.00 57.97 61.93 1uaa h PHE 629 Cb 2.63 0.42 -0.13 0.00 2.20 0.00 0.00 35.95 41.07 1uaa h PHE 629 CO -0.00 -0.36 0.64 1.25 -0.60 0.00 0.00 178.31 179.23 1uaa h LEU 630 N -0.08 0.51 0.00 1.54 7.12 0.69 0.18 115.31 125.27 1uaa h LEU 630 Ca 0.29 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.45 1uaa h LEU 630 Cb 0.55 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1uaa h LEU 630 CO -0.74 -0.03 -0.66 -0.07 -0.13 0.00 0.00 178.44 176.81 1uaa h LEU 631 N 0.38 0.00 0.00 2.25 3.38 -0.36 -3.29 115.31 117.67 1uaa h LEU 631 Ca 0.69 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1uaa h LEU 631 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1uaa h LEU 631 CO -0.48 0.04 -0.09 -0.62 0.09 0.00 0.00 178.44 177.39 1uaa n GLU 632 N -2.49 0.23 -2.31 1.13 1.02 0.61 -4.87 120.64 113.96 1uaa n GLU 632 Ca 0.02 0.17 -0.34 0.00 -0.02 0.00 0.00 57.16 56.99 1uaa n GLU 632 Cb 0.50 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1uaa n GLU 632 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1uaa s LEU 633 N -4.30 3.72 -0.24 -4.62 1.43 -1.01 -4.48 118.68 109.17 1uaa s LEU 633 Ca 0.10 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.89 1uaa s LEU 633 Cb 0.13 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 1uaa s LEU 633 CO 0.61 -1.04 2.20 -0.81 0.23 0.00 0.00 176.35 177.53 1uaa n PRO 634 N -1.37 1.74 -0.36 1.29 -0.04 -1.26 -4.85 135.00 130.15 1uaa n PRO 634 Ca 0.10 0.49 0.01 0.00 -0.04 0.00 0.00 63.50 64.06 1uaa n PRO 634 Cb 0.52 -2.98 0.15 0.00 -0.04 0.00 0.00 33.50 31.15 1uaa n PRO 634 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1uaa h GLN 635 N 13.96 1.16 -0.42 0.54 1.08 -1.91 -2.71 115.11 126.81 1uaa h GLN 635 Ca -0.37 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 56.83 1uaa h GLN 635 Cb 1.27 -0.26 -0.09 0.00 -0.05 0.00 0.00 27.48 28.34 1uaa h GLN 635 CO 0.98 0.76 -0.43 0.22 -0.95 0.00 0.00 178.83 179.41 1uaa h ASP 636 N 1.19 -1.44 0.73 1.46 3.58 -2.02 -1.48 116.42 118.44 1uaa h ASP 636 Ca 0.41 0.22 0.00 0.00 0.42 0.00 0.00 57.03 58.08 1uaa h ASP 636 Cb 0.09 0.63 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1uaa h ASP 636 CO -0.15 -0.36 -0.04 -0.67 -2.88 0.00 0.00 179.24 175.14 1uaa n ASP 637 N -5.41 0.08 -4.86 2.28 2.03 -1.15 -4.84 116.55 104.67 1uaa n ASP 637 Ca -0.00 0.08 -0.35 0.00 0.52 0.00 0.00 54.79 55.03 1uaa n ASP 637 Cb 0.35 -0.32 -0.06 0.00 -0.72 0.00 0.00 41.12 40.37 1uaa n ASP 637 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1uaa s LEU 638 N -2.77 4.34 0.49 -2.67 0.20 -0.56 0.82 118.68 118.54 1uaa s LEU 638 Ca 0.21 0.92 0.02 0.00 0.69 0.00 0.00 54.13 55.98 1uaa s LEU 638 Cb 0.20 -3.12 -0.01 0.00 -0.43 0.00 0.00 46.19 42.83 1uaa s LEU 638 CO 0.51 0.14 0.05 -0.63 -0.29 0.00 0.00 176.35 176.12 1uaa s ILE 639 N -1.43 0.91 0.00 6.68 -1.09 0.52 -4.91 121.20 121.87 1uaa s ILE 639 Ca 0.35 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 1uaa s ILE 639 Cb -0.14 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1uaa s ILE 639 CO 0.19 0.00 0.00 0.79 -1.23 0.00 0.00 174.94 174.69