#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iac n PHE 4 N 0.00 0.69 -3.29 -1.42 7.35 -1.26 -5.03 117.46 114.49 3iac n PHE 4 Ca 0.00 -1.61 -0.03 0.00 -0.76 0.00 0.00 57.45 55.05 3iac n PHE 4 Cb 0.00 -1.56 0.00 0.00 0.35 0.00 0.00 39.48 38.27 3iac n PHE 4 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3iac n THR 6 N 3.14 0.00 0.35 -2.13 -2.24 -1.26 -4.97 114.28 107.17 3iac n THR 6 Ca 0.42 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 3iac n THR 6 Cb 0.48 0.26 0.57 0.00 -2.10 0.00 0.00 70.33 69.54 3iac n THR 6 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3iac h GLU 7 N 0.00 0.00 -0.83 -0.78 4.39 -2.03 -2.68 114.58 112.64 3iac h GLU 7 Ca -0.08 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.39 3iac h GLU 7 Cb 0.31 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.82 3iac h GLU 7 CO 0.10 0.00 0.30 -0.25 -1.16 0.00 0.00 179.01 178.00 3iac n ASP 8 N -2.60 4.31 -4.67 1.42 8.00 -1.26 -4.99 116.55 116.76 3iac n ASP 8 Ca 0.02 -3.10 -0.51 0.00 0.71 0.00 0.00 54.79 51.91 3iac n ASP 8 Cb 0.27 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 3iac n ASP 8 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3iac n PHE 9 N -0.22 2.13 -0.77 1.24 7.35 -1.01 -1.01 117.46 125.17 3iac n PHE 9 Ca 0.38 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3iac n PHE 9 Cb 1.29 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 38.58 3iac n PHE 9 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3iac n LEU 10 N 5.08 0.43 -4.42 -2.13 4.77 -1.26 -4.93 117.00 114.54 3iac n LEU 10 Ca 0.22 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 3iac n LEU 10 Cb 0.24 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 3iac n LEU 10 CO 0.72 -0.21 0.12 -0.76 -1.33 0.00 0.00 177.39 175.92 3iac s LEU 11 N 0.00 5.35 -0.09 2.23 1.43 -0.18 -4.70 118.68 122.72 3iac s LEU 11 Ca 0.00 -1.14 0.16 0.00 -1.03 0.00 0.00 54.13 52.13 3iac s LEU 11 Cb 0.00 -2.27 0.58 0.00 0.03 0.00 0.00 46.19 44.53 3iac s LEU 11 CO 0.00 -0.71 1.50 0.29 0.23 0.00 0.00 176.35 177.66 3iac n LYS 12 N 5.52 3.34 -3.55 1.70 5.02 -1.26 -4.90 118.16 124.03 3iac n LYS 12 Ca -0.10 -2.67 -0.11 0.00 -2.02 0.00 0.00 58.31 53.41 3iac n LYS 12 Cb 0.45 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3iac n LYS 12 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iac s ASN 13 N -1.13 -0.37 0.26 4.39 2.20 -1.26 -5.07 114.94 113.95 3iac s ASN 13 Ca 0.43 -0.19 -0.05 0.00 -0.94 0.00 0.00 52.86 52.11 3iac s ASN 13 Cb 0.28 0.53 0.29 0.00 -2.00 0.00 0.00 41.25 40.35 3iac s ASN 13 CO 0.20 -0.90 1.89 0.44 -2.94 0.00 0.00 177.10 175.79 3iac h ASP 14 N 2.21 1.06 -0.42 3.54 3.32 -1.95 -1.75 116.42 122.44 3iac h ASP 14 Ca -0.34 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 3iac h ASP 14 Cb 1.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 3iac h ASP 14 CO 0.43 0.83 0.26 0.40 -1.72 0.00 0.00 179.24 179.44 3iac h ILE 15 N 1.20 1.13 -0.61 0.35 2.04 -1.97 -1.05 117.51 118.60 3iac h ILE 15 Ca 0.31 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3iac h ILE 15 Cb -0.01 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3iac h ILE 15 CO -0.05 0.13 0.35 0.00 0.00 0.00 0.00 178.15 178.57 3iac h ALA 16 N 1.13 0.80 -0.29 1.87 0.00 -1.66 0.12 119.26 121.23 3iac h ALA 16 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3iac h ALA 16 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iac h ALA 16 CO -0.03 0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.41 3iac h ARG 17 N 0.67 0.29 0.05 0.00 3.08 -0.84 0.22 114.38 117.85 3iac h ARG 17 Ca 0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3iac h ARG 17 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3iac h ARG 17 CO -0.14 0.19 -0.02 1.15 -1.07 0.00 0.00 179.97 180.08 3iac h THR 18 N 0.30 1.06 -0.75 2.04 2.02 -0.60 -1.03 112.91 115.95 3iac h THR 18 Ca 0.12 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 67.03 3iac h THR 18 Cb 0.04 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 3iac h THR 18 CO -0.09 0.09 0.42 -0.07 0.37 0.00 0.00 175.52 176.24 3iac h LEU 19 N -0.21 0.62 0.28 2.58 3.38 -0.58 -0.85 115.31 120.54 3iac h LEU 19 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3iac h LEU 19 Cb 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3iac h LEU 19 CO 0.01 0.39 -0.13 0.22 0.09 0.00 0.00 178.44 179.01 3iac h TYR 20 N 0.75 -0.35 -0.21 1.13 3.20 -0.87 -1.14 116.97 119.50 3iac h TYR 20 Ca 0.34 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 3iac h TYR 20 Cb 0.25 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3iac h TYR 20 CO -0.07 -0.05 -0.32 0.45 -1.64 0.00 0.00 178.16 176.53 3iac h HIS 21 N -1.01 0.50 0.04 -3.82 3.86 -1.18 -0.53 115.15 113.01 3iac h HIS 21 Ca -0.04 -0.12 -0.32 0.00 -1.16 0.00 0.00 60.37 58.74 3iac h HIS 21 Cb 0.45 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 3iac h HIS 21 CO 0.04 0.71 -1.80 1.17 0.86 0.00 0.00 177.93 178.90 3iac n LYS 22 N -4.08 0.68 -0.01 2.45 4.81 -0.33 -4.65 118.16 117.02 3iac n LYS 22 Ca -0.01 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.70 3iac n LYS 22 Cb 0.44 -1.77 -0.01 0.00 0.02 0.00 0.00 35.03 33.71 3iac n LYS 22 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3iac n TYR 23 N -3.19 0.00 0.03 5.64 4.01 -0.92 -4.77 117.16 117.96 3iac n TYR 23 Ca -0.22 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.44 3iac n TYR 23 Cb 1.05 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 39.93 3iac n TYR 23 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iac h ALA 24 N -0.00 -0.18 -0.98 -0.72 0.00 -0.87 -3.36 119.26 113.15 3iac h ALA 24 Ca -0.05 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.82 3iac h ALA 24 Cb 1.07 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 3iac h ALA 24 CO -0.01 -0.22 0.59 0.00 0.00 0.00 0.00 179.25 179.61 3iac h ALA 25 N -0.50 1.57 -0.58 0.00 0.00 -1.37 -3.45 119.26 114.93 3iac h ALA 25 Ca -0.02 0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.48 3iac h ALA 25 Cb 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3iac h ALA 25 CO 0.03 0.01 1.59 -2.30 0.00 0.00 0.00 179.25 178.58 3iac n PRO 26 N -4.75 2.21 -4.61 0.00 -0.02 -1.26 -5.10 135.00 121.48 3iac n PRO 26 Ca 0.21 -2.75 -0.29 0.00 -2.02 0.00 0.00 63.50 58.66 3iac n PRO 26 Cb 0.50 -3.60 -0.10 0.00 -0.02 0.00 0.00 33.50 30.28 3iac n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iac s PRO 28 N 5.51 2.01 -0.16 0.52 0.04 -1.26 -5.14 135.00 136.52 3iac s PRO 28 Ca 0.62 -2.14 -0.05 0.00 0.04 0.00 0.00 61.00 59.48 3iac s PRO 28 Cb 0.02 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 3iac s PRO 28 CO 0.11 -0.10 0.00 0.42 0.04 0.00 0.00 177.00 177.47 3iac s ILE 29 N -2.73 4.24 -0.59 0.56 1.01 -0.26 -4.70 121.20 118.74 3iac s ILE 29 Ca 0.31 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.73 3iac s ILE 29 Cb 0.08 -2.87 0.15 0.00 0.01 0.00 0.00 42.46 39.83 3iac s ILE 29 CO 0.16 0.50 0.36 -0.47 0.00 0.00 0.00 174.94 175.49 3iac s TYR 30 N 0.21 3.31 -1.28 3.97 5.04 -1.26 -1.06 117.35 126.28 3iac s TYR 30 Ca 0.00 -2.98 -0.16 0.00 -2.44 0.00 0.00 57.07 51.49 3iac s TYR 30 Cb -0.13 -2.99 0.11 0.00 0.35 0.00 0.00 41.96 39.29 3iac s TYR 30 CO 0.02 -0.78 1.67 -3.47 -1.34 0.00 0.00 175.55 171.65 3iac n ASP 31 N 3.19 4.99 0.04 4.32 2.03 -1.26 -4.81 116.55 125.05 3iac n ASP 31 Ca 0.07 -2.94 0.05 0.00 0.52 0.00 0.00 54.79 52.49 3iac n ASP 31 Cb 0.35 -1.67 0.25 0.00 -0.72 0.00 0.00 41.12 39.33 3iac n ASP 31 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 3iac n PHE 32 N 7.11 0.20 -3.55 -0.67 1.16 -1.26 -1.20 117.46 119.24 3iac n PHE 32 Ca 0.45 0.09 -0.10 0.00 -1.87 0.00 0.00 57.45 56.01 3iac n PHE 32 Cb 0.44 -0.64 -0.10 0.00 -1.61 0.00 0.00 39.48 37.57 3iac n PHE 32 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3iac s HIS 33 N -3.11 -0.68 0.33 2.97 5.04 -1.25 -4.14 115.29 114.45 3iac s HIS 33 Ca 0.03 1.09 -0.06 0.00 -1.54 0.00 0.00 55.06 54.58 3iac s HIS 33 Cb 0.05 0.09 0.01 0.00 0.04 0.00 0.00 32.58 32.77 3iac s HIS 33 CO 0.17 -0.53 0.52 0.00 -2.34 0.00 0.00 174.74 172.56 3iac n HIS 35 N -0.52 0.00 -1.98 0.00 8.25 -0.02 -2.76 115.22 118.19 3iac n HIS 35 Ca -0.01 -1.30 -0.37 0.00 -0.26 0.00 0.00 57.72 55.79 3iac n HIS 35 Cb 0.61 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.53 3iac n HIS 35 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3iac s LEU 36 N -2.76 3.72 -0.29 2.41 1.43 -1.16 -4.37 118.68 117.66 3iac s LEU 36 Ca 0.36 2.46 -0.29 0.00 -1.03 0.00 0.00 54.13 55.63 3iac s LEU 36 Cb 0.36 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 42.07 3iac s LEU 36 CO -0.07 -1.56 1.15 -0.55 0.23 0.00 0.00 176.35 175.55 3iac s SER 37 N -1.45 6.89 0.45 2.29 0.15 -1.26 -4.77 113.70 115.99 3iac s SER 37 Ca 0.76 1.19 0.12 0.00 0.70 0.00 0.00 55.95 58.71 3iac s SER 37 Cb -0.32 -2.54 1.00 0.00 -1.71 0.00 0.00 66.02 62.44 3iac s SER 37 CO 0.36 -0.90 2.04 -0.65 1.20 0.00 0.00 173.24 175.30 3iac h PRO 38 N 8.33 0.20 -0.39 5.44 0.11 -1.98 -2.05 132.00 141.67 3iac h PRO 38 Ca -0.22 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.75 3iac h PRO 38 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3iac h PRO 38 CO 1.02 0.22 -0.23 -0.56 -0.21 0.00 0.00 178.00 178.24 3iac h GLN 39 N 0.21 0.77 -0.40 1.05 -0.00 -1.92 0.21 115.11 115.02 3iac h GLN 39 Ca 0.05 -0.32 -0.06 0.00 -0.00 0.00 0.00 58.65 58.33 3iac h GLN 39 Cb 0.13 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.56 3iac h GLN 39 CO 0.00 0.93 0.01 0.93 -0.00 0.00 0.00 178.83 180.71 3iac h GLU 40 N 0.67 0.64 -0.09 0.06 5.08 -1.79 0.14 114.58 119.29 3iac h GLU 40 Ca 0.09 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3iac h GLU 40 Cb 0.75 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3iac h GLU 40 CO 0.06 0.65 -0.35 0.82 -1.00 0.00 0.00 179.01 179.19 3iac h ILE 41 N 0.61 1.40 0.04 3.13 2.04 -1.02 0.27 117.51 123.97 3iac h ILE 41 Ca 0.13 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.28 3iac h ILE 41 Cb 0.36 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3iac h ILE 41 CO 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 178.15 178.64 3iac h ALA 42 N 0.47 -0.05 -0.01 1.87 0.00 -0.35 -2.72 119.26 118.47 3iac h ALA 42 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iac h ALA 42 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3iac h ALA 42 CO 0.07 -0.50 0.00 -0.25 0.00 0.00 0.00 179.25 178.57 3iac n ASP 43 N -5.08 0.35 -3.55 0.00 8.00 0.47 -4.95 116.55 111.79 3iac n ASP 43 Ca -0.08 -1.16 -0.21 0.00 0.71 0.00 0.00 54.79 54.05 3iac n ASP 43 Cb 0.07 -0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 3iac n ASP 43 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3iac n ASP 44 N -0.70 -5.85 -4.65 -2.24 2.03 -0.64 -4.82 116.55 99.67 3iac n ASP 44 Ca 0.22 -0.76 -0.45 0.00 0.52 0.00 0.00 54.79 54.32 3iac n ASP 44 Cb 0.16 -3.40 -0.03 0.00 -0.72 0.00 0.00 41.12 37.13 3iac n ASP 44 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3iac n ARG 45 N -3.11 1.81 -4.07 -0.67 0.63 -0.01 -4.56 116.66 106.67 3iac n ARG 45 Ca -0.13 0.64 -0.35 0.00 -0.92 0.00 0.00 57.85 57.09 3iac n ARG 45 Cb 0.60 -2.23 -0.11 0.00 0.45 0.00 0.00 32.46 31.16 3iac n ARG 45 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3iac s ARG 46 N -0.68 3.80 0.00 -0.14 6.06 -1.26 -0.89 118.95 125.85 3iac s ARG 46 Ca 0.67 -0.43 -0.18 0.00 -2.50 0.00 0.00 55.73 53.28 3iac s ARG 46 Cb -0.68 -3.15 -0.06 0.00 0.06 0.00 0.00 34.95 31.12 3iac s ARG 46 CO 0.53 0.15 0.52 -0.06 -2.50 0.00 0.00 175.30 173.94 3iac s PHE 47 N 0.67 3.71 0.13 5.12 0.08 -1.26 -4.99 117.98 121.43 3iac s PHE 47 Ca 0.01 1.13 -0.12 0.00 0.12 0.00 0.00 56.93 58.08 3iac s PHE 47 Cb -0.14 -2.49 -0.09 0.00 -0.57 0.00 0.00 43.02 39.74 3iac s PHE 47 CO 0.02 0.47 1.41 -0.44 -0.10 0.00 0.00 175.22 176.58 3iac h ASP 48 N 5.22 0.99 -5.09 1.36 5.19 -1.98 -3.42 116.42 118.69 3iac h ASP 48 Ca -0.47 -0.53 0.01 0.00 -0.62 0.00 0.00 57.03 55.42 3iac h ASP 48 Cb 1.21 -0.28 -0.07 0.00 0.18 0.00 0.00 39.33 40.36 3iac h ASP 48 CO 0.67 1.33 0.09 0.54 -3.12 0.00 0.00 179.24 178.75 3iac s ASN 49 N -6.95 -0.21 0.09 6.45 2.20 -1.26 -4.95 114.94 110.32 3iac s ASN 49 Ca -0.11 -0.69 -0.25 0.00 -0.94 0.00 0.00 52.86 50.87 3iac s ASN 49 Cb 0.10 0.66 -0.13 0.00 -2.00 0.00 0.00 41.25 39.88 3iac s ASN 49 CO 0.89 -1.24 1.70 0.25 -2.94 0.00 0.00 177.10 175.76 3iac h LEU 50 N 2.11 -0.29 -0.78 3.54 5.85 -1.90 -2.55 115.31 121.29 3iac h LEU 50 Ca -0.23 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.70 3iac h LEU 50 Cb 1.25 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.25 3iac h LEU 50 CO 0.29 -0.17 0.12 1.23 -0.34 0.00 0.00 178.44 179.57 3iac h GLY 51 N -0.26 1.03 0.82 3.75 0.00 -1.97 -1.65 103.07 104.79 3iac h GLY 51 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3iac h GLY 51 CO -0.02 -0.28 -0.49 -1.61 0.00 0.00 0.00 176.54 174.14 3iac h GLN 52 N 0.18 -1.18 0.00 4.80 4.15 -1.79 0.10 115.11 121.37 3iac h GLN 52 Ca 0.45 0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.94 3iac h GLN 52 Cb 0.81 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 3iac h GLN 52 CO -0.61 -0.79 -0.05 0.97 -1.93 0.00 0.00 178.83 176.42 3iac h ILE 53 N -1.22 0.28 0.00 2.39 2.10 -1.25 -3.35 117.51 116.46 3iac h ILE 53 Ca -0.11 -0.34 -0.25 0.00 1.08 0.00 0.00 64.86 65.25 3iac h ILE 53 Cb 0.97 1.25 -0.04 0.00 -1.09 0.00 0.00 36.82 37.91 3iac h ILE 53 CO 0.12 0.05 -1.94 1.87 -1.08 0.00 0.00 178.15 177.18 3iac n TRP 54 N -3.38 0.00 0.34 2.19 -0.00 -0.65 -4.63 117.44 111.30 3iac n TRP 54 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.31 3iac n TRP 54 Cb 0.19 -0.64 -0.09 0.00 -0.00 0.00 0.00 31.31 30.78 3iac n TRP 54 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3iac h LEU 55 N 0.00 -0.69 -0.50 5.87 3.38 -0.93 -3.14 115.31 119.30 3iac h LEU 55 Ca -0.37 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3iac h LEU 55 Cb 1.61 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 3iac h LEU 55 CO -0.05 -0.49 0.30 -0.08 0.09 0.00 0.00 178.44 178.21 3iac h GLU 56 N -0.81 0.58 0.00 1.13 4.81 -1.80 -3.43 114.58 115.05 3iac h GLU 56 Ca -0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3iac h GLU 56 Cb 0.62 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3iac h GLU 56 CO 0.14 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 3iac n GLY 57 N -1.24 1.79 0.61 1.92 0.00 -1.19 -1.02 105.19 106.06 3iac n GLY 57 Ca 0.03 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.40 3iac n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iac n ASP 58 N 1.70 2.86 0.00 1.61 8.00 -1.26 -4.65 116.55 124.81 3iac n ASP 58 Ca 0.00 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.24 3iac n ASP 58 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 3iac n ASP 58 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3iac n HIS 59 N -1.02 0.00 -0.07 1.24 8.25 -0.19 -4.91 115.22 118.52 3iac n HIS 59 Ca 0.21 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.54 3iac n HIS 59 Cb 0.80 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 3iac n HIS 59 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3iac h TYR 60 N 0.00 0.62 -0.74 4.41 -1.99 -1.92 -2.70 116.97 114.66 3iac h TYR 60 Ca 0.00 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.54 3iac h TYR 60 Cb 0.11 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.67 3iac h TYR 60 CO 0.07 0.86 0.47 0.87 -0.00 0.00 0.00 178.16 180.43 3iac h LYS 61 N 0.20 0.99 -0.90 4.88 1.57 -1.88 -2.17 116.57 119.26 3iac h LYS 61 Ca 0.03 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3iac h LYS 61 Cb 0.76 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 3iac h LYS 61 CO 0.05 0.68 0.58 -1.49 -0.57 0.00 0.00 179.45 178.70 3iac h TRP 62 N 1.00 1.09 -0.65 -1.35 6.55 -1.81 -0.20 115.95 120.59 3iac h TRP 62 Ca 0.27 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 60.06 3iac h TRP 62 Cb -0.07 -0.36 -0.03 0.00 -0.86 0.00 0.00 29.16 27.84 3iac h TRP 62 CO -0.02 0.63 0.11 -0.09 -1.05 0.00 0.00 178.44 178.02 3iac h ARG 63 N 1.13 1.07 -0.40 0.49 2.43 -1.19 -1.57 114.38 116.34 3iac h ARG 63 Ca 0.36 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3iac h ARG 63 Cb 0.01 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3iac h ARG 63 CO -0.12 0.98 0.04 0.00 -1.51 0.00 0.00 179.97 179.36 3iac h ALA 64 N 1.04 0.54 -0.46 2.80 0.00 -0.72 -1.09 119.26 121.37 3iac h ALA 64 Ca 0.20 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3iac h ALA 64 Cb 0.43 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3iac h ALA 64 CO 0.01 0.28 0.24 -0.07 0.00 0.00 0.00 179.25 179.71 3iac h LEU 65 N 0.52 0.37 -0.59 0.00 3.38 -0.90 0.54 115.31 118.63 3iac h LEU 65 Ca 0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3iac h LEU 65 Cb 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3iac h LEU 65 CO 0.01 0.26 0.12 0.03 0.09 0.00 0.00 178.44 178.95 3iac h ARG 66 N 0.49 0.96 -0.65 1.13 3.08 -1.19 -1.29 114.38 116.91 3iac h ARG 66 Ca 0.20 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3iac h ARG 66 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3iac h ARG 66 CO -0.12 0.90 0.37 0.77 -1.07 0.00 0.00 179.97 180.82 3iac h SER 67 N 0.87 0.79 0.45 7.04 0.02 -0.63 -0.96 113.55 121.13 3iac h SER 67 Ca 0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3iac h SER 67 Cb 0.39 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3iac h SER 67 CO 0.01 0.62 0.00 0.00 -1.14 0.00 0.00 176.83 176.32 3iac n ALA 68 N -2.44 2.11 -0.54 3.77 0.00 0.13 -4.88 120.51 118.67 3iac n ALA 68 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3iac n ALA 68 Cb 0.08 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3iac n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iac n GLY 69 N 0.58 0.70 3.74 0.00 0.00 -0.37 -5.05 105.19 104.80 3iac n GLY 69 Ca 0.10 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3iac n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iac s VAL 70 N -2.00 3.40 0.36 1.61 1.01 -0.53 -4.98 120.40 119.27 3iac s VAL 70 Ca 0.00 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 3iac s VAL 70 Cb 0.00 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3iac s VAL 70 CO 0.00 0.21 1.51 -0.62 0.00 0.00 0.00 175.10 176.20 3iac s ASP 71 N 0.03 6.34 0.53 3.32 -1.08 -1.26 -4.56 116.67 119.99 3iac s ASP 71 Ca 0.53 3.04 0.21 0.00 -0.52 0.00 0.00 52.55 55.80 3iac s ASP 71 Cb -0.34 -2.66 1.37 0.00 -1.46 0.00 0.00 42.92 39.83 3iac s ASP 71 CO 0.39 -0.89 2.09 -0.08 0.52 0.00 0.00 175.17 177.20 3iac h GLU 72 N 3.41 0.00 -0.00 4.34 4.57 -1.98 -1.24 114.58 123.68 3iac h GLU 72 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3iac h GLU 72 Cb 1.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3iac h GLU 72 CO 0.68 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 179.17 3iac h SER 73 N 0.00 0.00 -0.21 1.04 4.64 -1.95 -0.16 113.55 116.92 3iac h SER 73 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3iac h SER 73 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3iac h SER 73 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3iac n LEU 74 N -4.31 1.87 0.00 5.97 4.77 -0.47 -2.91 117.00 121.93 3iac n LEU 74 Ca -0.03 -0.80 -0.02 0.00 -0.03 0.00 0.00 56.01 55.12 3iac n LEU 74 Cb 0.09 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3iac n LEU 74 CO 0.32 0.40 -0.18 -0.38 -1.33 0.00 0.00 177.39 176.22 3iac n ILE 75 N 0.46 1.07 0.12 -0.08 5.41 -0.18 -4.50 119.36 121.66 3iac n ILE 75 Ca 0.16 0.29 0.01 0.00 1.00 0.00 0.00 62.75 64.21 3iac n ILE 75 Cb 0.35 -1.71 -0.01 0.00 -0.71 0.00 0.00 39.64 37.57 3iac n ILE 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3iac n THR 76 N -3.56 0.00 -1.68 1.39 -2.24 -0.54 -4.99 114.28 102.66 3iac n THR 76 Ca -0.04 -0.46 -0.45 0.00 -2.27 0.00 0.00 64.05 60.84 3iac n THR 76 Cb 0.14 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3iac n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iac n GLY 77 N 0.77 0.86 0.04 3.38 0.00 -1.13 -4.86 105.19 104.27 3iac n GLY 77 Ca 0.01 0.52 0.13 0.00 0.00 0.00 0.00 46.02 46.68 3iac n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iac n LYS 78 N 2.24 0.11 0.03 1.61 4.76 -1.26 -3.72 118.16 121.93 3iac n LYS 78 Ca 0.12 0.11 -0.19 0.00 -2.87 0.00 0.00 58.31 55.48 3iac n LYS 78 Cb 0.31 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 3iac n LYS 78 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3iac h GLU 79 N 0.00 0.67 -6.80 1.97 4.11 -1.89 -3.46 114.58 109.18 3iac h GLU 79 Ca 0.00 -0.69 -0.50 0.00 0.07 0.00 0.00 59.36 58.24 3iac h GLU 79 Cb 0.57 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3iac h GLU 79 CO 0.00 1.28 0.07 0.95 0.07 0.00 0.00 179.01 181.38 3iac s THR 80 N -3.36 4.85 0.73 -1.06 -4.23 -1.24 -5.08 115.64 106.25 3iac s THR 80 Ca -0.11 0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 60.74 3iac s THR 80 Cb 0.06 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 70.19 3iac s THR 80 CO 0.90 -0.54 1.10 -0.94 -0.54 0.00 0.00 174.62 174.59 3iac s SER 81 N -3.33 5.02 0.24 3.99 1.04 -1.26 -4.92 113.70 114.47 3iac s SER 81 Ca 0.49 0.86 -0.06 0.00 0.48 0.00 0.00 55.95 57.72 3iac s SER 81 Cb -0.10 -1.54 0.24 0.00 0.10 0.00 0.00 66.02 64.71 3iac s SER 81 CO 0.33 -1.56 1.82 0.44 0.98 0.00 0.00 173.24 175.25 3iac h ASP 82 N -0.75 1.04 -0.53 7.02 3.32 -1.98 -1.83 116.42 122.72 3iac h ASP 82 Ca -0.45 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.34 3iac h ASP 82 Cb 1.29 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3iac h ASP 82 CO 0.64 0.90 -0.11 0.22 -1.72 0.00 0.00 179.24 179.17 3iac h TYR 83 N 1.12 1.13 -0.21 4.55 3.20 -1.98 -0.07 116.97 124.71 3iac h TYR 83 Ca 0.26 -0.24 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3iac h TYR 83 Cb 0.17 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3iac h TYR 83 CO 0.02 1.05 0.12 0.93 -1.64 0.00 0.00 178.16 178.64 3iac h GLU 84 N 0.88 0.29 -0.95 1.82 5.08 -1.87 -2.30 114.58 117.53 3iac h GLU 84 Ca 0.14 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3iac h GLU 84 Cb 0.68 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 3iac h GLU 84 CO 0.05 0.26 0.62 0.87 -1.00 0.00 0.00 179.01 179.81 3iac h LYS 85 N 0.24 1.19 -0.93 2.33 1.57 -1.20 -1.60 116.57 118.18 3iac h LYS 85 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iac h LYS 85 Cb 0.05 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3iac h LYS 85 CO -0.01 0.79 0.00 0.98 -0.57 0.00 0.00 179.45 180.64 3iac n TYR 86 N -4.46 0.00 0.00 -1.35 4.19 -0.05 -1.79 117.16 113.70 3iac n TYR 86 Ca 0.12 -0.02 0.00 0.00 3.31 0.00 0.00 57.90 61.31 3iac n TYR 86 Cb 0.06 -0.06 0.00 0.00 0.49 0.00 0.00 39.34 39.83 3iac n TYR 86 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3iac n ALA 88 N 0.68 0.00 -0.20 2.98 0.00 -0.60 -0.65 120.51 122.72 3iac n ALA 88 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3iac n ALA 88 Cb 0.04 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.50 3iac n ALA 88 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3iac h TRP 89 N 0.00 1.17 -0.65 0.00 -0.00 -1.62 -2.23 115.95 112.61 3iac h TRP 89 Ca 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 58.89 58.65 3iac h TRP 89 Cb 0.00 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 28.83 3iac h TRP 89 CO 0.00 1.05 0.33 0.00 -0.00 0.00 0.00 178.44 179.82 3iac h ALA 90 N 0.96 1.35 0.00 2.65 0.00 -1.17 0.10 119.26 123.15 3iac h ALA 90 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3iac h ALA 90 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iac h ALA 90 CO 0.04 0.52 -0.27 -0.91 0.00 0.00 0.00 179.25 178.63 3iac h ASN 91 N 0.92 0.00 0.46 0.00 2.35 -1.78 -3.22 115.58 114.31 3iac h ASN 91 Ca 0.23 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.68 3iac h ASN 91 Cb 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 3iac h ASN 91 CO -0.03 0.27 -1.74 0.41 -1.65 0.00 0.00 177.43 174.69 3iac n THR 92 N -3.46 1.62 -0.34 2.81 -1.04 -0.50 -4.40 114.28 108.98 3iac n THR 92 Ca -0.00 -0.79 0.08 0.00 -2.04 0.00 0.00 64.05 61.30 3iac n THR 92 Cb 0.45 -1.09 0.25 0.00 -1.82 0.00 0.00 70.33 68.11 3iac n THR 92 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3iac h VAL 93 N 0.01 0.82 0.00 12.58 2.07 -1.09 0.51 116.25 131.15 3iac h VAL 93 Ca -0.30 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3iac h VAL 93 Cb 2.02 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3iac h VAL 93 CO 0.08 0.15 0.00 -2.65 0.02 0.00 0.00 177.57 175.17 3iac n PRO 94 N -4.73 0.09 -0.06 1.57 -0.02 -1.26 -1.35 135.00 129.25 3iac n PRO 94 Ca 0.19 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3iac n PRO 94 Cb 0.41 -1.76 0.34 0.00 -0.02 0.00 0.00 33.50 32.47 3iac n PRO 94 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3iac n LYS 95 N -1.96 1.97 -0.64 -0.52 5.02 0.17 -4.38 118.16 117.82 3iac n LYS 95 Ca 0.00 -1.44 0.08 0.00 -2.02 0.00 0.00 58.31 54.93 3iac n LYS 95 Cb 0.08 -1.46 0.34 0.00 -0.02 0.00 0.00 35.03 33.97 3iac n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3iac n THR 96 N 0.70 2.24 -1.73 -0.18 -2.24 -0.46 -5.00 114.28 107.62 3iac n THR 96 Ca 0.17 -1.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.08 3iac n THR 96 Cb 0.44 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 3iac n THR 96 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3iac n LEU 97 N 0.46 4.02 0.00 3.22 4.77 -1.26 -0.94 117.00 127.27 3iac n LEU 97 Ca 0.24 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.38 3iac n LEU 97 Cb 0.97 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3iac n LEU 97 CO 0.24 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3iac n GLY 98 N 1.92 3.31 3.82 -0.72 0.00 -1.26 -5.03 105.19 107.23 3iac n GLY 98 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3iac n GLY 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iac s ASN 99 N -0.98 6.78 0.65 1.61 3.84 -0.11 -4.96 114.94 121.76 3iac s ASN 99 Ca 0.00 0.92 0.32 0.00 0.21 0.00 0.00 52.86 54.32 3iac s ASN 99 Cb 0.00 -2.25 1.77 0.00 -0.55 0.00 0.00 41.25 40.23 3iac s ASN 99 CO 0.00 0.29 2.03 1.55 -2.79 0.00 0.00 177.10 178.18 3iac h PRO 100 N 4.95 0.00 -0.65 0.43 0.13 -1.96 -0.42 132.00 134.49 3iac h PRO 100 Ca -0.50 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.77 3iac h PRO 100 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3iac h PRO 100 CO 0.63 0.00 0.44 -0.07 -0.23 0.00 0.00 178.00 178.77 3iac h LEU 101 N 0.00 0.26 -0.81 1.56 3.38 -1.93 0.11 115.31 117.88 3iac h LEU 101 Ca 0.03 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3iac h LEU 101 Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3iac h LEU 101 CO -0.00 0.14 -0.42 0.22 0.09 0.00 0.00 178.44 178.47 3iac h TYR 102 N 0.28 0.44 -0.02 1.13 3.20 -1.25 -0.72 116.97 120.03 3iac h TYR 102 Ca 0.31 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 3iac h TYR 102 Cb 0.84 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.02 3iac h TYR 102 CO -0.00 0.74 -0.40 0.45 -1.64 0.00 0.00 178.16 177.30 3iac h HIS 103 N 0.31 0.45 -0.03 -3.82 3.86 -1.12 -3.17 115.15 111.64 3iac h HIS 103 Ca 0.03 -0.23 0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3iac h HIS 103 Cb 0.87 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 3iac h HIS 103 CO 0.02 1.02 -0.01 -1.49 0.86 0.00 0.00 177.93 178.33 3iac h TRP 104 N -0.24 -0.02 -0.58 2.45 6.55 -0.77 0.99 115.95 124.32 3iac h TRP 104 Ca -0.04 0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.90 3iac h TRP 104 Cb 1.11 0.01 -0.11 0.00 -0.86 0.00 0.00 29.16 29.32 3iac h TRP 104 CO 0.15 -0.02 -0.36 1.15 -1.05 0.00 0.00 178.44 178.31 3iac h THR 105 N -0.00 0.15 -0.04 1.49 2.02 -1.24 0.23 112.91 115.50 3iac h THR 105 Ca 0.02 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.01 3iac h THR 105 Cb 0.03 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3iac h THR 105 CO -0.03 0.00 -0.77 0.45 0.37 0.00 0.00 175.52 175.53 3iac h HIS 106 N -0.19 0.43 -0.23 3.16 3.86 -1.47 -1.96 115.15 118.75 3iac h HIS 106 Ca 0.21 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3iac h HIS 106 Cb 0.56 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3iac h HIS 106 CO -0.65 0.97 0.13 -0.07 0.86 0.00 0.00 177.93 179.17 3iac h LEU 107 N 0.20 0.29 -0.98 2.43 3.38 -0.12 -1.77 115.31 118.74 3iac h LEU 107 Ca -0.04 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3iac h LEU 107 Cb 1.36 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3iac h LEU 107 CO 0.13 0.28 0.14 -0.33 0.09 0.00 0.00 178.44 178.74 3iac h GLU 108 N 0.27 0.88 -0.12 1.13 5.08 -0.51 -0.23 114.58 121.09 3iac h GLU 108 Ca 0.08 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3iac h GLU 108 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3iac h GLU 108 CO -0.01 0.79 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.39 3iac h LEU 109 N 0.85 0.23 -0.02 1.33 3.38 -1.18 -3.11 115.31 116.79 3iac h LEU 109 Ca 0.19 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3iac h LEU 109 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iac h LEU 109 CO -0.00 0.55 -0.27 -0.09 0.09 0.00 0.00 178.44 178.72 3iac h ARG 110 N 0.20 0.22 -3.96 1.13 2.43 -0.68 0.12 114.38 113.83 3iac h ARG 110 Ca 0.03 -0.21 -0.47 0.00 -0.81 0.00 0.00 59.98 58.52 3iac h ARG 110 Cb 0.68 0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 29.92 3iac h ARG 110 CO 0.05 0.91 -0.78 1.03 -1.51 0.00 0.00 179.97 179.67 3iac s ARG 111 N -3.30 0.99 0.00 0.20 0.52 -0.16 -0.99 118.95 116.21 3iac s ARG 111 Ca -0.15 -0.06 0.27 0.00 -0.52 0.00 0.00 55.73 55.27 3iac s ARG 111 Cb 0.02 -1.17 0.95 0.00 0.52 0.00 0.00 34.95 35.26 3iac s ARG 111 CO 0.75 -0.24 1.68 -0.35 0.02 0.00 0.00 175.30 177.16 3iac n PRO 112 N 4.86 1.60 0.11 3.54 -0.04 -1.20 -4.17 135.00 139.70 3iac n PRO 112 Ca -0.12 -0.97 0.12 0.00 -0.04 0.00 0.00 63.50 62.49 3iac n PRO 112 Cb 0.50 -1.48 0.46 0.00 -0.04 0.00 0.00 33.50 32.94 3iac n PRO 112 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iac n PHE 113 N 0.14 0.76 -1.14 0.54 3.72 -1.23 -4.93 117.46 115.33 3iac n PHE 113 Ca 0.18 0.26 -0.05 0.00 -0.05 0.00 0.00 57.45 57.79 3iac n PHE 113 Cb 0.37 -0.93 -0.02 0.00 -0.94 0.00 0.00 39.48 37.96 3iac n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iac n GLY 114 N 0.56 0.71 3.63 1.37 0.00 -0.16 -4.94 105.19 106.37 3iac n GLY 114 Ca 0.04 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3iac n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iac s ILE 115 N -2.02 5.13 0.14 -0.61 1.01 0.37 -4.94 121.20 120.28 3iac s ILE 115 Ca 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 60.65 61.43 3iac s ILE 115 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3iac s ILE 115 CO 0.00 0.15 0.03 0.42 0.00 0.00 0.00 174.94 175.55 3iac s THR 116 N 1.94 0.30 -1.56 2.92 -4.23 -1.26 -3.01 115.64 110.74 3iac s THR 116 Ca 0.20 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3iac s THR 116 Cb -0.15 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3iac s THR 116 CO 0.09 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 3iac n GLY 117 N -0.13 0.45 3.07 3.99 0.00 -1.26 -4.99 105.19 106.31 3iac n GLY 117 Ca -0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 3iac n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iac s THR 118 N -2.75 -0.02 -0.05 2.61 -4.23 -1.26 -5.14 115.64 104.80 3iac s THR 118 Ca 0.00 0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.36 3iac s THR 118 Cb 0.00 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 3iac s THR 118 CO 0.00 0.03 0.63 -0.76 -0.54 0.00 0.00 174.62 173.98 3iac s LEU 119 N 0.62 4.34 -0.15 4.79 1.43 -1.26 -5.02 118.68 123.43 3iac s LEU 119 Ca -0.04 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.89 3iac s LEU 119 Cb -0.06 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 3iac s LEU 119 CO -0.03 -0.03 1.27 0.12 0.23 0.00 0.00 176.35 177.91 3iac s PHE 120 N 0.46 2.85 0.14 0.29 5.36 -1.26 -4.69 117.98 121.13 3iac s PHE 120 Ca 0.34 1.00 -0.14 0.00 -0.96 0.00 0.00 56.93 57.16 3iac s PHE 120 Cb -0.17 -3.51 0.05 0.00 -0.34 0.00 0.00 43.02 39.05 3iac s PHE 120 CO 0.17 -1.74 0.69 0.41 -1.46 0.00 0.00 175.22 173.29 3iac n GLY 121 N 3.61 0.87 0.34 13.12 0.00 -1.26 -4.44 105.19 117.42 3iac n GLY 121 Ca 0.14 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 45.15 3iac n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iac h PRO 122 N 0.00 0.77 0.00 1.61 0.11 -1.92 0.02 132.00 132.59 3iac h PRO 122 Ca -0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3iac h PRO 122 Cb 0.83 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3iac h PRO 122 CO 0.26 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3iac n ASP 123 N -4.75 0.61 0.00 -2.05 5.75 -1.26 -3.62 116.55 111.23 3iac n ASP 123 Ca 0.19 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.60 3iac n ASP 123 Cb 0.42 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3iac n ASP 123 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3iac n THR 124 N -2.15 0.00 -0.20 2.12 -2.24 -0.73 -4.84 114.28 106.23 3iac n THR 124 Ca 0.03 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 3iac n THR 124 Cb 0.25 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.56 3iac n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iac h ALA 125 N 0.00 0.75 -0.37 6.98 0.00 -1.08 -2.42 119.26 123.12 3iac h ALA 125 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iac h ALA 125 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3iac h ALA 125 CO 0.00 0.31 0.19 1.49 0.00 0.00 0.00 179.25 181.24 3iac h GLU 126 N 0.79 0.53 -0.34 0.00 4.81 -1.86 -0.34 114.58 118.16 3iac h GLU 126 Ca 0.20 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3iac h GLU 126 Cb 0.12 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3iac h GLU 126 CO -0.02 0.46 0.20 1.03 -0.73 0.00 0.00 179.01 179.94 3iac h SER 127 N 0.46 0.41 -0.82 1.04 0.87 -1.90 -1.95 113.55 111.66 3iac h SER 127 Ca 0.13 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3iac h SER 127 Cb 0.10 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 3iac h SER 127 CO -0.02 0.35 0.49 0.40 -0.53 0.00 0.00 176.83 177.52 3iac h ILE 128 N 0.43 1.23 -0.16 2.23 2.04 -1.20 -1.20 117.51 120.89 3iac h ILE 128 Ca 0.12 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3iac h ILE 128 Cb 0.02 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 3iac h ILE 128 CO -0.02 0.24 0.03 -0.25 0.00 0.00 0.00 178.15 178.15 3iac h TRP 129 N 1.13 0.04 -0.18 1.37 2.91 -0.88 0.22 115.95 120.56 3iac h TRP 129 Ca 0.29 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 3iac h TRP 129 Cb -0.03 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 3iac h TRP 129 CO -0.00 0.01 0.06 1.15 -1.03 0.00 0.00 178.44 178.63 3iac h THR 130 N 0.09 1.17 0.04 2.65 2.02 -0.95 -0.53 112.91 117.39 3iac h THR 130 Ca 0.07 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3iac h THR 130 Cb 0.07 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3iac h THR 130 CO -0.10 0.16 -0.02 1.56 0.37 0.00 0.00 175.52 177.50 3iac h GLN 131 N 0.12 -0.05 -0.73 6.66 4.20 -1.14 -2.28 115.11 121.88 3iac h GLN 131 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3iac h GLN 131 Cb 0.20 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3iac h GLN 131 CO -0.00 0.07 0.38 0.00 -0.67 0.00 0.00 178.83 178.60 3iac h ASN 133 N 1.02 0.87 -0.67 0.00 2.35 -0.94 0.11 115.58 118.32 3iac h ASN 133 Ca 0.25 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 3iac h ASN 133 Cb 0.08 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3iac h ASN 133 CO -0.04 0.61 0.20 -0.33 -1.65 0.00 0.00 177.43 176.22 3iac h GLU 134 N 1.01 1.04 -0.32 0.81 5.08 -1.00 -2.46 114.58 118.74 3iac h GLU 134 Ca 0.30 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3iac h GLU 134 Cb -0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3iac h GLU 134 CO -0.08 0.91 0.03 0.87 -1.00 0.00 0.00 179.01 179.75 3iac h LYS 135 N 0.97 0.55 0.00 2.33 1.57 -1.03 -2.76 116.57 118.20 3iac h LYS 135 Ca 0.21 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3iac h LYS 135 Cb 0.32 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3iac h LYS 135 CO -0.00 0.66 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.46 3iac h LEU 136 N 0.37 0.00 -0.21 2.94 3.38 -0.57 -0.58 115.31 120.65 3iac h LEU 136 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3iac h LEU 136 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iac h LEU 136 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3iac n ALA 137 N -2.12 2.05 -2.77 1.53 0.00 -0.95 -4.46 120.51 113.79 3iac n ALA 137 Ca -0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 3iac n ALA 137 Cb 0.07 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 3iac n ALA 137 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iac s THR 138 N -3.14 5.19 0.36 0.00 -4.23 -0.22 -5.01 115.64 108.58 3iac s THR 138 Ca 0.09 -0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 3iac s THR 138 Cb 0.12 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.49 3iac s THR 138 CO 0.50 -0.26 1.92 -0.65 -0.54 0.00 0.00 174.62 175.59 3iac h PRO 139 N 1.68 0.72 0.00 3.99 0.11 -1.89 -2.11 132.00 134.50 3iac h PRO 139 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3iac h PRO 139 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3iac h PRO 139 CO 0.66 0.48 -0.01 0.00 -0.21 0.00 0.00 178.00 178.91 3iac h ALA 140 N 1.60 1.25 -0.39 -0.75 0.00 -1.92 -2.52 119.26 116.53 3iac h ALA 140 Ca 0.37 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3iac h ALA 140 Cb 0.43 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3iac h ALA 140 CO -0.14 0.02 0.04 1.19 0.00 0.00 0.00 179.25 180.36 3iac n PHE 141 N -3.46 1.30 -2.08 0.00 3.01 -0.79 -2.87 117.46 112.57 3iac n PHE 141 Ca -0.03 -1.17 -0.28 0.00 1.01 0.00 0.00 57.45 56.98 3iac n PHE 141 Cb 0.11 -0.45 0.14 0.00 -0.01 0.00 0.00 39.48 39.27 3iac n PHE 141 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3iac s SER 142 N -1.94 3.77 0.17 4.37 1.04 -0.95 -4.70 113.70 115.46 3iac s SER 142 Ca 0.46 0.26 -0.16 0.00 0.48 0.00 0.00 55.95 56.99 3iac s SER 142 Cb 0.38 -0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.10 3iac s SER 142 CO 0.07 -2.31 1.68 0.00 0.98 0.00 0.00 173.24 173.66 3iac h ALA 143 N -1.22 0.32 -0.40 5.32 0.00 -1.26 -0.85 119.26 121.17 3iac h ALA 143 Ca -0.43 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3iac h ALA 143 Cb 1.27 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3iac h ALA 143 CO 0.46 -0.43 -0.31 0.00 0.00 0.00 0.00 179.25 178.97 3iac h ARG 144 N 0.05 0.89 -0.63 0.00 3.08 -1.87 -3.17 114.38 112.73 3iac h ARG 144 Ca 0.20 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 59.88 3iac h ARG 144 Cb 0.30 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3iac h ARG 144 CO -0.39 1.07 0.34 0.78 -1.07 0.00 0.00 179.97 180.71 3iac h GLY 145 N 0.87 0.91 -2.00 0.04 0.00 -1.58 -0.64 103.07 100.68 3iac h GLY 145 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3iac h GLY 145 CO 0.08 0.15 0.00 1.39 0.00 0.00 0.00 176.54 178.15 3iac n ILE 146 N -4.81 0.26 0.00 2.60 5.41 -0.38 -1.00 119.36 121.44 3iac n ILE 146 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3iac n ILE 146 Cb 0.16 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 3iac n ILE 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iac n GLN 148 N 0.87 0.00 0.00 0.38 6.02 -0.25 -4.66 117.38 119.74 3iac n GLN 148 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3iac n GLN 148 Cb 0.13 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.39 3iac n GLN 148 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iac n GLN 149 N 0.00 0.00 -2.69 -1.09 6.02 -0.17 -4.46 117.38 114.99 3iac n GLN 149 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3iac n GLN 149 Cb 0.00 -1.46 0.11 0.00 1.02 0.00 0.00 30.24 29.91 3iac n GLN 149 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3iac n ASN 151 N 0.96 -1.41 -4.67 1.08 5.15 -1.26 -5.09 115.26 110.02 3iac n ASN 151 Ca 0.00 -2.39 -0.41 0.00 -0.60 0.00 0.00 54.58 51.18 3iac n ASN 151 Cb 0.00 0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 39.96 3iac n ASN 151 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iac s VAL 152 N -0.20 4.96 -1.86 3.44 1.01 -1.26 -1.10 120.40 125.39 3iac s VAL 152 Ca 0.19 1.43 0.20 0.00 0.00 0.00 0.00 61.98 63.79 3iac s VAL 152 Cb 0.42 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 3iac s VAL 152 CO -0.09 0.09 1.00 0.54 0.00 0.00 0.00 175.10 176.64 3iac n ARG 153 N 4.97 1.42 -3.59 2.72 5.12 -0.23 -4.76 116.66 122.31 3iac n ARG 153 Ca 0.01 -0.96 -0.09 0.00 -1.93 0.00 0.00 57.85 54.88 3iac n ARG 153 Cb 0.49 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 30.34 3iac n ARG 153 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3iac s VAL 155 N -2.24 0.00 -0.26 1.55 -7.23 -0.22 -2.22 120.40 109.78 3iac s VAL 155 Ca 0.17 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 3iac s VAL 155 Cb 0.16 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 36.16 3iac s VAL 155 CO 0.50 0.00 -0.10 -0.83 -0.31 0.00 0.00 175.10 174.36 3iac s GLY 156 N -0.97 1.67 0.87 2.32 0.00 -0.34 -1.63 107.32 109.23 3iac s GLY 156 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 42.83 3iac s GLY 156 CO -0.01 0.61 1.24 -0.51 0.00 0.00 0.00 173.10 174.43 3iac s THR 157 N 1.12 2.00 -0.25 0.90 -4.23 -0.17 -1.22 115.64 113.80 3iac s THR 157 Ca -0.08 -0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 3iac s THR 157 Cb -0.20 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.70 3iac s THR 157 CO -0.05 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.03 3iac s THR 158 N -3.70 2.10 0.17 3.99 2.01 -1.11 -1.61 115.64 117.48 3iac s THR 158 Ca 0.67 -1.52 0.08 0.00 0.31 0.00 0.00 61.69 61.23 3iac s THR 158 Cb -0.08 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3iac s THR 158 CO 0.51 0.03 -0.16 -1.81 -0.69 0.00 0.00 174.62 172.50 3iac s ASP 159 N 1.15 2.51 0.08 3.53 1.11 0.83 -4.91 116.67 120.96 3iac s ASP 159 Ca -0.07 -0.91 -0.14 0.00 0.18 0.00 0.00 52.55 51.61 3iac s ASP 159 Cb -0.19 -0.13 -0.06 0.00 1.07 0.00 0.00 42.92 43.60 3iac s ASP 159 CO -0.06 -0.11 0.48 -0.62 1.18 0.00 0.00 175.17 176.05 3iac s ASP 160 N -2.86 6.83 0.40 0.27 -1.08 -1.26 -1.00 116.67 117.97 3iac s ASP 160 Ca 0.17 1.02 0.20 0.00 -0.52 0.00 0.00 52.55 53.42 3iac s ASP 160 Cb -0.04 -2.27 1.16 0.00 -1.46 0.00 0.00 42.92 40.32 3iac s ASP 160 CO 0.06 0.21 1.73 -0.65 0.52 0.00 0.00 175.17 177.04 3iac h PRO 161 N 4.10 0.32 0.00 4.34 0.11 -1.94 0.84 132.00 139.77 3iac h PRO 161 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iac h PRO 161 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iac h PRO 161 CO 0.64 0.21 0.00 0.44 -0.21 0.00 0.00 178.00 179.08 3iac n ILE 162 N -4.68 0.23 -2.11 4.15 -5.35 -1.26 -4.88 119.36 105.47 3iac n ILE 162 Ca 0.28 0.06 -0.36 0.00 -0.27 0.00 0.00 62.75 62.46 3iac n ILE 162 Cb 0.99 -0.64 0.02 0.00 -1.74 0.00 0.00 39.64 38.27 3iac n ILE 162 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3iac s ASP 163 N -2.72 5.45 0.15 7.28 1.01 0.28 -4.93 116.67 123.19 3iac s ASP 163 Ca 0.20 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.79 3iac s ASP 163 Cb 0.17 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 3iac s ASP 163 CO 0.41 -1.41 1.33 0.77 0.21 0.00 0.00 175.17 176.48 3iac h SER 164 N 1.11 0.33 -1.15 0.27 4.64 -1.89 -3.48 113.55 113.39 3iac h SER 164 Ca -0.50 -0.28 -0.24 0.00 -0.47 0.00 0.00 61.79 60.30 3iac h SER 164 Cb 1.28 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 3iac h SER 164 CO 0.56 1.09 -0.26 0.18 -0.87 0.00 0.00 176.83 177.53 3iac n LEU 165 N -3.66 -1.21 0.07 5.97 4.77 -1.26 -4.92 117.00 116.76 3iac n LEU 165 Ca -0.05 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 3iac n LEU 165 Cb 0.84 -1.85 0.45 0.00 -2.33 0.00 0.00 43.42 40.53 3iac n LEU 165 CO 0.49 -0.35 1.08 1.05 -1.33 0.00 0.00 177.39 178.33 3iac h GLU 166 N 0.00 0.38 0.00 3.23 4.11 -1.99 -1.62 114.58 118.69 3iac h GLU 166 Ca -0.26 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.02 3iac h GLU 166 Cb 1.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3iac h GLU 166 CO 0.34 0.30 -0.53 1.88 0.07 0.00 0.00 179.01 181.07 3iac h TYR 167 N 0.39 0.00 -0.16 2.06 0.05 -1.91 -1.52 116.97 115.88 3iac h TYR 167 Ca 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 3iac h TYR 167 Cb 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 3iac h TYR 167 CO 0.00 0.53 -0.13 0.45 -1.05 0.00 0.00 178.16 177.96 3iac h HIS 168 N 0.00 0.43 -0.16 4.88 3.86 -1.66 -0.92 115.15 121.58 3iac h HIS 168 Ca -0.01 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.04 3iac h HIS 168 Cb 1.22 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 3iac h HIS 168 CO 0.00 0.73 -0.10 0.00 0.86 0.00 0.00 177.93 179.43 3iac h ARG 169 N 0.01 0.24 -0.15 2.45 3.08 -1.29 -1.18 114.38 117.54 3iac h ARG 169 Ca 0.03 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3iac h ARG 169 Cb 0.65 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3iac h ARG 169 CO 0.03 0.35 -0.22 0.37 -1.07 0.00 0.00 179.97 179.44 3iac h GLN 170 N 0.24 0.42 -0.60 0.04 4.15 -1.14 -2.29 115.11 115.92 3iac h GLN 170 Ca 0.05 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 3iac h GLN 170 Cb 0.32 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3iac h GLN 170 CO 0.02 0.83 0.24 0.82 -1.93 0.00 0.00 178.83 178.81 3iac h ILE 171 N 0.04 1.23 -0.73 2.39 2.04 -0.89 -2.02 117.51 119.56 3iac h ILE 171 Ca 0.02 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3iac h ILE 171 Cb 0.79 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3iac h ILE 171 CO 0.05 0.28 0.41 0.00 0.00 0.00 0.00 178.15 178.88 3iac h ALA 172 N 1.09 1.33 0.00 1.87 0.00 -1.23 -2.10 119.26 120.22 3iac h ALA 172 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iac h ALA 172 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iac h ALA 172 CO -0.02 0.55 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 3iac n ALA 173 N -2.43 2.33 -2.53 0.00 0.00 -0.87 -4.77 120.51 112.25 3iac n ALA 173 Ca 0.07 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 3iac n ALA 173 Cb 0.09 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 3iac n ALA 173 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iac s ASP 174 N -3.22 6.29 0.53 0.00 2.15 -0.79 -4.96 116.67 116.67 3iac s ASP 174 Ca 0.13 -0.25 0.32 0.00 0.43 0.00 0.00 52.55 53.19 3iac s ASP 174 Cb 0.18 -2.27 1.32 0.00 -0.30 0.00 0.00 42.92 41.85 3iac s ASP 174 CO 0.54 -0.56 1.97 0.44 -0.17 0.00 0.00 175.17 177.39 3iac h ASP 175 N 8.61 0.00 0.69 -0.34 3.32 -1.86 -3.07 116.42 123.77 3iac h ASP 175 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3iac h ASP 175 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3iac h ASP 175 CO 0.80 0.04 0.00 0.77 -1.72 0.00 0.00 179.24 179.14 3iac h SER 176 N 0.00 0.00 -3.20 6.45 4.64 -1.94 -3.40 113.55 116.10 3iac h SER 176 Ca -0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3iac h SER 176 Cb 0.53 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.27 3iac h SER 176 CO 0.01 0.00 -0.84 -0.51 -0.87 0.00 0.00 176.83 174.61 3iac s ILE 177 N -3.77 1.96 -2.71 0.95 2.07 -1.16 -4.99 121.20 113.55 3iac s ILE 177 Ca -0.00 -0.99 0.24 0.00 -1.41 0.00 0.00 60.65 58.49 3iac s ILE 177 Cb 0.10 -1.84 0.33 0.00 0.13 0.00 0.00 42.46 41.18 3iac s ILE 177 CO 0.49 0.42 1.38 -0.90 -1.91 0.00 0.00 174.94 174.42 3iac n ASP 178 N 4.62 2.98 -4.71 4.50 5.68 -1.26 -4.88 116.55 123.48 3iac n ASP 178 Ca -0.19 -1.94 -0.42 0.00 -0.50 0.00 0.00 54.79 51.74 3iac n ASP 178 Cb 0.49 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.33 3iac n ASP 178 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3iac s ILE 179 N -1.78 4.63 -0.06 2.12 1.01 -1.26 -5.00 121.20 120.85 3iac s ILE 179 Ca 0.33 1.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.65 3iac s ILE 179 Cb 0.21 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3iac s ILE 179 CO 0.31 0.18 0.86 -0.70 0.00 0.00 0.00 174.94 175.58 3iac s GLU 180 N 0.84 4.46 -0.35 2.79 2.12 -0.94 -4.98 118.70 122.63 3iac s GLU 180 Ca 0.53 1.16 0.03 0.00 0.36 0.00 0.00 54.97 57.05 3iac s GLU 180 Cb -0.23 -3.48 0.10 0.00 0.26 0.00 0.00 34.13 30.78 3iac s GLU 180 CO 0.29 -0.09 0.08 0.08 -0.54 0.00 0.00 175.26 175.08 3iac s VAL 181 N 1.24 2.09 -0.05 3.70 1.01 -1.26 -1.05 120.40 126.08 3iac s VAL 181 Ca 0.44 -2.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.06 3iac s VAL 181 Cb -0.19 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3iac s VAL 181 CO 0.21 -0.63 0.18 0.00 0.00 0.00 0.00 175.10 174.86 3iac s ALA 182 N 0.89 3.90 0.49 5.51 0.00 -0.65 -4.89 121.76 127.01 3iac s ALA 182 Ca 0.11 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 3iac s ALA 182 Cb -0.19 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 3iac s ALA 182 CO -0.10 0.68 0.86 -1.25 0.00 0.00 0.00 175.76 175.95 3iac s PRO 183 N -1.53 3.69 -0.01 0.00 0.04 -1.26 -1.00 135.00 134.93 3iac s PRO 183 Ca 0.22 0.52 0.05 0.00 0.04 0.00 0.00 61.00 61.83 3iac s PRO 183 Cb -0.13 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3iac s PRO 183 CO 0.12 -0.23 -0.15 -1.12 0.04 0.00 0.00 177.00 175.66 3iac s SER 184 N -3.65 1.81 -0.44 6.66 0.01 -0.64 -4.12 113.70 113.34 3iac s SER 184 Ca 0.52 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 57.25 3iac s SER 184 Cb -0.10 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.94 3iac s SER 184 CO 0.40 0.19 0.90 0.86 0.41 0.00 0.00 173.24 176.00 3iac s TRP 185 N -0.35 2.97 -0.50 2.43 -0.11 -0.77 -0.12 118.94 122.49 3iac s TRP 185 Ca 0.06 0.44 0.04 0.00 1.22 0.00 0.00 56.10 57.85 3iac s TRP 185 Cb -0.06 -3.85 0.13 0.00 -1.50 0.00 0.00 33.47 28.18 3iac s TRP 185 CO -0.01 -1.02 0.24 0.50 -4.62 0.00 0.00 176.95 172.04 3iac s ARG 186 N 3.62 1.89 -0.28 5.86 3.52 -0.17 -0.62 118.95 132.77 3iac s ARG 186 Ca 0.36 -2.52 0.02 0.00 -0.13 0.00 0.00 55.73 53.46 3iac s ARG 186 Cb -0.11 -3.25 0.35 0.00 -1.56 0.00 0.00 34.95 30.39 3iac s ARG 186 CO 0.24 -1.10 1.63 -0.35 -0.81 0.00 0.00 175.30 174.92 3iac n PRO 187 N 3.24 1.77 -0.26 5.12 -0.04 -1.25 -4.40 135.00 139.17 3iac n PRO 187 Ca 0.05 -1.75 0.01 0.00 -0.04 0.00 0.00 63.50 61.77 3iac n PRO 187 Cb 0.33 -1.69 0.08 0.00 -0.04 0.00 0.00 33.50 32.19 3iac n PRO 187 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iac h ASP 188 N 0.79 -0.77 0.04 3.54 5.19 -1.92 -0.75 116.42 122.55 3iac h ASP 188 Ca 0.36 0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 57.00 3iac h ASP 188 Cb 1.81 0.49 -0.00 0.00 0.18 0.00 0.00 39.33 41.81 3iac h ASP 188 CO 0.69 -0.26 -0.02 0.11 -3.12 0.00 0.00 179.24 176.64 3iac h LYS 189 N -0.02 0.00 -0.26 3.56 1.57 -1.92 -2.42 116.57 117.09 3iac h LYS 189 Ca 0.35 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.02 3iac h LYS 189 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3iac h LYS 189 CO -0.78 0.02 -0.28 0.28 -0.57 0.00 0.00 179.45 178.12 3iac h VAL 190 N 0.00 1.31 0.00 0.50 2.07 -1.52 -3.34 116.25 115.28 3iac h VAL 190 Ca -0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3iac h VAL 190 Cb 0.05 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3iac h VAL 190 CO 0.00 0.46 -1.02 2.22 0.02 0.00 0.00 177.57 179.25 3iac n PHE 191 N -4.30 0.56 -2.25 1.57 1.16 -1.09 -4.54 117.46 108.58 3iac n PHE 191 Ca -0.04 0.16 -0.42 0.00 -1.87 0.00 0.00 57.45 55.27 3iac n PHE 191 Cb 0.46 -0.68 0.00 0.00 -1.61 0.00 0.00 39.48 37.66 3iac n PHE 191 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3iac n LYS 192 N -2.28 3.43 0.23 3.97 5.02 -0.93 -4.34 118.16 123.26 3iac n LYS 192 Ca 0.01 -3.34 0.07 0.00 -2.02 0.00 0.00 58.31 53.03 3iac n LYS 192 Cb 0.49 -3.02 0.56 0.00 -0.02 0.00 0.00 35.03 33.03 3iac n LYS 192 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3iac h ILE 193 N 3.89 0.99 0.00 -0.18 2.10 -1.82 -2.84 117.51 119.65 3iac h ILE 193 Ca 0.43 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3iac h ILE 193 Cb 0.65 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 3iac h ILE 193 CO 1.66 0.17 0.00 1.05 -1.08 0.00 0.00 178.15 179.95 3iac h GLU 194 N 0.00 0.00 -6.99 2.19 9.09 -1.95 -3.45 114.58 113.47 3iac h GLU 194 Ca -0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 3iac h GLU 194 Cb 0.34 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.46 3iac h GLU 194 CO 0.02 0.00 0.41 -0.51 0.05 0.00 0.00 179.01 178.98 3iac s LEU 195 N -4.72 4.06 0.22 3.06 1.43 -1.07 -4.96 118.68 116.69 3iac s LEU 195 Ca 0.04 2.02 -0.08 0.00 -1.03 0.00 0.00 54.13 55.07 3iac s LEU 195 Cb 0.09 -4.28 0.29 0.00 0.03 0.00 0.00 46.19 42.32 3iac s LEU 195 CO 0.41 -0.58 1.78 0.44 0.23 0.00 0.00 176.35 178.63 3iac h ASP 196 N 2.25 0.45 0.00 2.29 3.32 -1.90 -2.60 116.42 120.22 3iac h ASP 196 Ca -0.49 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3iac h ASP 196 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3iac h ASP 196 CO 0.61 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 3iac n GLY 197 N -1.29 -0.76 0.21 2.75 0.00 -1.26 -4.21 105.19 100.63 3iac n GLY 197 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3iac n GLY 197 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iac h PHE 198 N 0.00 0.60 -0.17 1.61 3.57 -1.76 -1.31 116.94 119.48 3iac h PHE 198 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3iac h PHE 198 Cb 0.00 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3iac h PHE 198 CO 0.00 0.35 0.02 0.28 -2.23 0.00 0.00 178.31 176.73 3iac h VAL 199 N 0.64 1.23 -0.72 1.41 2.07 -1.84 -0.68 116.25 118.36 3iac h VAL 199 Ca 0.21 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3iac h VAL 199 Cb -0.00 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3iac h VAL 199 CO -0.08 0.23 0.45 0.44 0.02 0.00 0.00 177.57 178.63 3iac h ASP 200 N 0.07 0.74 -0.61 0.57 3.32 -1.83 -2.08 116.42 116.60 3iac h ASP 200 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3iac h ASP 200 Cb 0.32 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3iac h ASP 200 CO 0.00 0.51 0.30 0.22 -1.72 0.00 0.00 179.24 178.56 3iac h TYR 201 N 0.88 0.87 -0.68 4.55 3.20 -1.06 -2.67 116.97 122.07 3iac h TYR 201 Ca 0.29 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.18 3iac h TYR 201 Cb 0.03 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 3iac h TYR 201 CO -0.04 0.66 0.45 1.25 -1.64 0.00 0.00 178.16 178.83 3iac h LEU 202 N 0.84 0.62 -0.79 2.82 5.85 -0.46 -0.43 115.31 123.75 3iac h LEU 202 Ca 0.21 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3iac h LEU 202 Cb 0.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3iac h LEU 202 CO -0.03 0.41 -0.51 0.03 -0.34 0.00 0.00 178.44 178.00 3iac h ARG 203 N 0.71 0.24 -0.33 1.25 3.08 -1.09 0.22 114.38 118.46 3iac h ARG 203 Ca 0.29 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3iac h ARG 203 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3iac h ARG 203 CO -0.09 0.69 -0.35 0.87 -1.07 0.00 0.00 179.97 180.02 3iac h LYS 204 N 0.19 0.75 -0.42 0.04 1.57 -0.85 -2.04 116.57 115.81 3iac h LYS 204 Ca 0.01 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3iac h LYS 204 Cb 0.96 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3iac h LYS 204 CO 0.08 0.98 0.02 1.25 -0.57 0.00 0.00 179.45 181.21 3iac h LEU 205 N 0.62 0.72 -0.79 2.94 5.85 -0.88 0.12 115.31 123.88 3iac h LEU 205 Ca 0.06 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.59 3iac h LEU 205 Cb 0.89 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 3iac h LEU 205 CO 0.08 0.84 0.42 -0.33 -0.34 0.00 0.00 178.44 179.11 3iac h GLU 206 N 0.58 0.67 -0.05 1.25 5.08 -0.78 0.27 114.58 121.60 3iac h GLU 206 Ca 0.12 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 3iac h GLU 206 Cb 0.46 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3iac h GLU 206 CO 0.02 0.44 -0.81 0.00 -1.00 0.00 0.00 179.01 177.67 3iac h ALA 207 N 1.47 0.51 -0.27 3.43 0.00 -1.08 0.33 119.26 123.64 3iac h ALA 207 Ca 0.40 -0.65 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 3iac h ALA 207 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iac h ALA 207 CO -0.28 0.78 -0.57 0.00 0.00 0.00 0.00 179.25 179.18 3iac h ALA 208 N 0.86 0.43 -0.01 0.00 0.00 0.06 -3.19 119.26 117.42 3iac h ALA 208 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3iac h ALA 208 Cb 1.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3iac h ALA 208 CO 0.14 0.67 -0.53 0.00 0.00 0.00 0.00 179.25 179.53 3iac n ALA 209 N -2.57 3.67 -3.58 0.00 0.00 0.87 -4.97 120.51 113.92 3iac n ALA 209 Ca -0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.66 3iac n ALA 209 Cb 0.64 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 19.18 3iac n ALA 209 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iac n ASP 210 N -0.83 -3.63 -3.75 0.00 2.03 0.98 -4.96 116.55 106.38 3iac n ASP 210 Ca 0.08 -0.85 -0.14 0.00 0.52 0.00 0.00 54.79 54.41 3iac n ASP 210 Cb 0.37 -4.16 -0.15 0.00 -0.72 0.00 0.00 41.12 36.47 3iac n ASP 210 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iac s VAL 211 N -3.54 -0.05 -0.40 5.18 1.01 -0.17 -5.02 120.40 117.41 3iac s VAL 211 Ca 0.24 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 3iac s VAL 211 Cb -0.06 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.14 3iac s VAL 211 CO 0.81 0.08 1.12 -0.55 0.00 0.00 0.00 175.10 176.56 3iac s SER 212 N 1.13 6.76 -0.57 3.32 0.15 -1.26 -4.35 113.70 118.89 3iac s SER 212 Ca -0.09 0.77 -0.17 0.00 0.70 0.00 0.00 55.95 57.17 3iac s SER 212 Cb -0.12 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 61.77 3iac s SER 212 CO -0.05 -1.08 0.58 -0.63 1.20 0.00 0.00 173.24 173.25 3iac s ILE 213 N 4.11 5.10 -0.05 6.45 1.01 -1.26 -4.82 121.20 131.74 3iac s ILE 213 Ca 0.47 -1.38 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3iac s ILE 213 Cb -0.10 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3iac s ILE 213 CO 0.24 -0.96 -0.02 0.41 0.00 0.00 0.00 174.94 174.61 3iac n THR 214 N 5.30 0.30 -4.17 2.92 -1.04 -1.26 -5.00 114.28 111.33 3iac n THR 214 Ca -0.11 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.05 61.52 3iac n THR 214 Cb 0.41 -0.77 -0.07 0.00 -1.82 0.00 0.00 70.33 68.08 3iac n THR 214 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3iac s ARG 215 N -2.11 2.29 0.36 -2.82 0.52 -1.26 -4.70 118.95 111.23 3iac s ARG 215 Ca -0.05 -1.61 0.05 0.00 -0.52 0.00 0.00 55.73 53.60 3iac s ARG 215 Cb 0.02 -2.10 0.68 0.00 0.52 0.00 0.00 34.95 34.07 3iac s ARG 215 CO 0.15 0.11 1.93 0.35 0.02 0.00 0.00 175.30 177.86 3iac h PHE 216 N 1.62 0.53 0.00 -0.53 3.57 -1.87 -2.07 116.94 118.19 3iac h PHE 216 Ca -0.43 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 60.98 3iac h PHE 216 Cb 1.25 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3iac h PHE 216 CO 0.65 0.47 -0.26 0.22 -2.23 0.00 0.00 178.31 177.16 3iac h ASP 217 N 0.52 0.00 -0.26 0.41 3.58 -1.96 -1.82 116.42 116.89 3iac h ASP 217 Ca 0.12 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 3iac h ASP 217 Cb 0.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3iac h ASP 217 CO -0.00 0.26 -0.08 0.44 -2.88 0.00 0.00 179.24 176.97 3iac h ASP 218 N 0.00 0.63 -0.69 2.28 3.32 -1.72 -2.38 116.42 117.85 3iac h ASP 218 Ca -0.00 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 3iac h ASP 218 Cb 0.49 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3iac h ASP 218 CO 0.03 0.75 0.24 0.25 -1.72 0.00 0.00 179.24 178.80 3iac h LEU 219 N 0.60 0.99 -0.40 1.55 5.85 -1.28 -0.74 115.31 121.87 3iac h LEU 219 Ca 0.11 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3iac h LEU 219 Cb 0.50 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3iac h LEU 219 CO 0.03 0.91 0.23 0.03 -0.34 0.00 0.00 178.44 179.30 3iac h ARG 220 N 1.00 0.46 -0.08 1.25 3.08 -1.13 0.40 114.38 119.36 3iac h ARG 220 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3iac h ARG 220 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3iac h ARG 220 CO -0.01 0.30 0.04 1.96 -1.07 0.00 0.00 179.97 181.19 3iac h GLN 221 N 0.47 0.09 -0.30 0.04 4.20 -1.05 0.22 115.11 118.78 3iac h GLN 221 Ca 0.16 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3iac h GLN 221 Cb 0.01 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3iac h GLN 221 CO -0.08 0.06 0.13 0.00 -0.67 0.00 0.00 178.83 178.28 3iac h ALA 222 N 1.04 0.36 -0.43 3.87 0.00 -0.78 -1.15 119.26 122.16 3iac h ALA 222 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3iac h ALA 222 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3iac h ALA 222 CO -0.02 -0.26 -0.19 -0.07 0.00 0.00 0.00 179.25 178.71 3iac h LEU 223 N 0.28 0.85 -0.61 0.00 3.38 -0.75 -2.26 115.31 116.20 3iac h LEU 223 Ca 0.13 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3iac h LEU 223 Cb 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3iac h LEU 223 CO -0.11 1.03 0.38 0.74 0.09 0.00 0.00 178.44 180.57 3iac h THR 224 N 0.74 1.08 -0.71 0.22 2.02 -0.04 0.40 112.91 116.62 3iac h THR 224 Ca 0.11 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3iac h THR 224 Cb 0.72 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3iac h THR 224 CO 0.06 0.14 0.31 0.03 0.37 0.00 0.00 175.52 176.42 3iac h ARG 225 N 0.74 1.04 -0.35 6.66 3.08 -1.03 -1.31 114.38 123.22 3iac h ARG 225 Ca 0.24 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3iac h ARG 225 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3iac h ARG 225 CO -0.10 0.84 -0.23 0.00 -1.07 0.00 0.00 179.97 179.42 3iac h ARG 226 N 1.00 0.76 -0.74 0.04 2.47 -0.81 -1.73 114.38 115.37 3iac h ARG 226 Ca 0.24 -0.36 0.05 0.00 -1.26 0.00 0.00 59.98 58.65 3iac h ARG 226 Cb 0.17 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 3iac h ARG 226 CO -0.02 0.98 0.44 -0.07 0.56 0.00 0.00 179.97 181.86 3iac h LEU 227 N 0.54 0.69 -0.90 3.04 3.38 -0.05 0.06 115.31 122.08 3iac h LEU 227 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3iac h LEU 227 Cb 0.78 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3iac h LEU 227 CO 0.06 0.45 0.50 0.44 0.09 0.00 0.00 178.44 179.99 3iac h ASP 228 N 0.83 1.11 0.23 -0.43 3.32 -1.03 0.19 116.42 120.64 3iac h ASP 228 Ca 0.32 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3iac h ASP 228 Cb 0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3iac h ASP 228 CO -0.16 0.89 -0.11 -0.74 -1.72 0.00 0.00 179.24 177.39 3iac h HIS 229 N 1.25 -0.29 -0.87 4.55 2.76 -0.47 0.15 115.15 122.23 3iac h HIS 229 Ca 0.32 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.59 3iac h HIS 229 Cb 0.01 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 28.99 3iac h HIS 229 CO 0.01 -0.10 0.51 0.74 -1.30 0.00 0.00 177.93 177.79 3iac h PHE 230 N -0.42 0.92 -0.11 5.26 -1.00 -0.69 -1.35 116.94 119.55 3iac h PHE 230 Ca -0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3iac h PHE 230 Cb 0.32 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3iac h PHE 230 CO -0.03 0.36 0.06 0.00 -1.61 0.00 0.00 178.31 177.09 3iac h ALA 231 N 1.49 0.15 0.00 2.45 0.00 -0.27 -1.04 119.26 122.03 3iac h ALA 231 Ca 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3iac h ALA 231 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iac h ALA 231 CO -0.26 -0.31 -0.07 0.00 0.00 0.00 0.00 179.25 178.61 3iac h ALA 232 N 0.96 1.39 -0.42 0.00 0.00 -0.45 -1.42 119.26 119.32 3iac h ALA 232 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iac h ALA 232 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iac h ALA 232 CO -0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3iac n GLY 234 N 0.58 0.61 3.77 0.00 0.00 -0.53 -4.50 105.19 105.11 3iac n GLY 234 Ca 0.19 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3iac n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iac n ARG 236 N 0.58 0.00 -3.63 0.00 1.85 -1.26 -4.68 116.66 109.52 3iac n ARG 236 Ca 0.02 -0.91 -0.14 0.00 -1.00 0.00 0.00 57.85 55.82 3iac n ARG 236 Cb 0.45 -0.06 -0.06 0.00 -1.05 0.00 0.00 32.46 31.73 3iac n ARG 236 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iac s ALA 237 N 0.00 -1.21 0.14 2.89 0.00 -1.26 -2.00 121.76 120.32 3iac s ALA 237 Ca 0.07 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.67 3iac s ALA 237 Cb 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3iac s ALA 237 CO -0.03 -0.41 -0.09 -1.54 0.00 0.00 0.00 175.76 173.68 3iac s SER 238 N -1.67 1.72 -0.02 0.00 1.04 0.80 -1.85 113.70 113.72 3iac s SER 238 Ca -0.08 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.27 3iac s SER 238 Cb -0.02 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3iac s SER 238 CO 0.02 -0.35 0.12 -0.62 0.98 0.00 0.00 173.24 173.39 3iac s ASP 239 N -3.16 -0.03 -0.04 7.02 2.15 0.21 -1.11 116.67 121.70 3iac s ASP 239 Ca 0.17 -0.03 -0.02 0.00 0.43 0.00 0.00 52.55 53.10 3iac s ASP 239 Cb 0.03 0.23 0.03 0.00 -0.30 0.00 0.00 42.92 42.91 3iac s ASP 239 CO 0.00 -0.22 0.05 -1.00 -0.17 0.00 0.00 175.17 173.83 3iac s HIS 240 N -0.76 0.16 -0.33 -5.34 3.76 -0.25 -3.96 115.29 108.56 3iac s HIS 240 Ca -0.08 0.19 -0.21 0.00 -0.15 0.00 0.00 55.06 54.81 3iac s HIS 240 Cb -0.05 -0.53 -0.00 0.00 1.11 0.00 0.00 32.58 33.11 3iac s HIS 240 CO 0.01 -0.21 0.65 0.20 -0.85 0.00 0.00 174.74 174.53 3iac s GLY 241 N 2.12 1.76 -0.28 -2.22 0.00 -1.26 -0.39 107.32 107.04 3iac s GLY 241 Ca 0.05 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.08 3iac s GLY 241 CO -0.03 1.50 -0.01 -0.42 0.00 0.00 0.00 173.10 174.14 3iac s ILE 242 N 2.69 1.75 0.00 0.90 1.01 0.13 -4.93 121.20 122.75 3iac s ILE 242 Ca 0.26 -1.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.21 3iac s ILE 242 Cb -0.15 -2.12 -0.28 0.00 0.01 0.00 0.00 42.46 39.92 3iac s ILE 242 CO 0.13 -0.34 0.86 -0.33 0.00 0.00 0.00 174.94 175.26 3iac h GLU 243 N 7.84 0.27 -4.48 2.79 3.07 -1.83 -2.03 114.58 120.21 3iac h GLU 243 Ca -0.13 -0.46 -0.65 0.00 -0.50 0.00 0.00 59.36 57.62 3iac h GLU 243 Cb 1.04 0.17 -0.40 0.00 -0.84 0.00 0.00 28.75 28.72 3iac h GLU 243 CO 0.46 1.14 -0.73 0.99 -1.40 0.00 0.00 179.01 179.48 3iac s THR 244 N -2.62 2.02 -0.41 1.13 2.01 -1.26 -4.54 115.64 111.98 3iac s THR 244 Ca -0.09 -2.16 -0.29 0.00 0.31 0.00 0.00 61.69 59.45 3iac s THR 244 Cb 0.07 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3iac s THR 244 CO 0.86 -0.61 1.18 -0.22 -0.69 0.00 0.00 174.62 175.14 3iac s LEU 245 N 1.04 3.74 0.41 4.42 2.96 -1.26 -5.00 118.68 124.98 3iac s LEU 245 Ca 0.11 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 54.85 3iac s LEU 245 Cb -0.19 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3iac s LEU 245 CO -0.11 -1.16 0.22 -0.13 -1.32 0.00 0.00 176.35 173.84 3iac s ARG 246 N 4.27 2.28 -0.28 1.98 0.52 -1.26 -4.90 118.95 121.57 3iac s ARG 246 Ca 0.50 -1.79 -0.20 0.00 -0.52 0.00 0.00 55.73 53.73 3iac s ARG 246 Cb -0.10 -2.05 0.10 0.00 0.52 0.00 0.00 34.95 33.41 3iac s ARG 246 CO 0.27 -0.13 0.84 0.12 0.02 0.00 0.00 175.30 176.42 3iac s PHE 247 N -2.57 -0.76 -0.09 -0.53 5.36 -1.26 -4.88 117.98 113.25 3iac s PHE 247 Ca 0.42 1.64 -0.12 0.00 -0.96 0.00 0.00 56.93 57.92 3iac s PHE 247 Cb 0.03 0.43 0.03 0.00 -0.34 0.00 0.00 43.02 43.16 3iac s PHE 247 CO 0.24 -0.37 0.30 0.00 -1.46 0.00 0.00 175.22 173.93 3iac s ALA 248 N 1.01 -0.76 0.27 11.12 0.00 -1.26 -4.93 121.76 127.21 3iac s ALA 248 Ca -0.05 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 3iac s ALA 248 Cb -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 23.12 22.59 3iac s ALA 248 CO -0.11 -0.18 1.46 -2.30 0.00 0.00 0.00 175.76 174.63 3iac n PRO 249 N 2.49 2.27 -1.89 0.00 -0.02 -1.26 -4.68 135.00 131.91 3iac n PRO 249 Ca -0.15 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3iac n PRO 249 Cb 0.57 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3iac n PRO 249 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iac s VAL 250 N -0.16 3.23 0.86 -1.45 1.01 -1.26 -4.86 120.40 117.77 3iac s VAL 250 Ca 0.65 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.98 3iac s VAL 250 Cb -0.59 -3.29 0.17 0.00 0.00 0.00 0.00 36.38 32.67 3iac s VAL 250 CO 0.51 -0.03 1.19 -2.16 0.00 0.00 0.00 175.10 174.61 3iac s PRO 251 N 3.60 1.06 0.90 2.72 0.04 -1.26 -5.07 135.00 137.00 3iac s PRO 251 Ca 0.77 -0.71 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 3iac s PRO 251 Cb -0.38 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.24 3iac s PRO 251 CO 0.33 -2.02 1.10 0.16 0.04 0.00 0.00 177.00 176.62 3iac s ASP 252 N -4.83 3.51 0.56 6.66 1.47 -1.26 -4.78 116.67 118.00 3iac s ASP 252 Ca 0.71 1.24 0.25 0.00 1.18 0.00 0.00 52.55 55.93 3iac s ASP 252 Cb -0.04 -1.91 1.55 0.00 -0.34 0.00 0.00 42.92 42.18 3iac s ASP 252 CO 0.49 -2.58 2.14 0.44 0.68 0.00 0.00 175.17 176.35 3iac h ASP 253 N -1.51 0.00 -0.52 2.11 5.19 -1.98 -1.88 116.42 117.83 3iac h ASP 253 Ca -0.50 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 3iac h ASP 253 Cb 1.30 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.79 3iac h ASP 253 CO 0.58 0.00 0.26 0.00 -3.12 0.00 0.00 179.24 176.96 3iac h ALA 254 N 1.89 0.67 -0.21 3.45 0.00 -1.98 0.40 119.26 123.47 3iac h ALA 254 Ca 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3iac h ALA 254 Cb 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iac h ALA 254 CO -0.00 0.22 -0.32 0.37 0.00 0.00 0.00 179.25 179.52 3iac h GLN 255 N 0.69 0.59 -0.80 0.00 5.75 -1.74 -1.42 115.11 118.18 3iac h GLN 255 Ca 0.18 -0.35 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 3iac h GLN 255 Cb 0.11 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3iac h GLN 255 CO -0.02 0.96 0.44 -0.07 -2.65 0.00 0.00 178.83 177.48 3iac h LEU 256 N 0.27 1.00 -0.35 -2.39 3.38 -1.18 -0.77 115.31 115.27 3iac h LEU 256 Ca 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3iac h LEU 256 Cb 0.90 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3iac h LEU 256 CO 0.07 0.80 0.07 0.44 0.09 0.00 0.00 178.44 179.91 3iac h ASP 257 N 1.12 0.55 -0.28 -0.43 3.32 -0.13 -2.01 116.42 118.56 3iac h ASP 257 Ca 0.28 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3iac h ASP 257 Cb 0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3iac h ASP 257 CO -0.05 0.66 0.17 0.00 -1.72 0.00 0.00 179.24 178.30 3iac h ALA 258 N 0.91 0.35 0.08 3.45 0.00 -0.82 -0.67 119.26 122.56 3iac h ALA 258 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iac h ALA 258 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3iac h ALA 258 CO 0.01 -0.21 -0.19 0.82 0.00 0.00 0.00 179.25 179.67 3iac h ILE 259 N 0.34 0.56 -0.72 0.00 2.04 -1.08 -0.83 117.51 117.82 3iac h ILE 259 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 3iac h ILE 259 Cb -0.01 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3iac h ILE 259 CO -0.05 0.00 0.47 0.25 0.00 0.00 0.00 178.15 178.82 3iac h LEU 260 N -0.35 0.70 -0.47 1.44 5.85 -1.21 -1.69 115.31 119.58 3iac h LEU 260 Ca 0.03 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3iac h LEU 260 Cb 0.39 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3iac h LEU 260 CO -0.12 0.46 0.08 1.23 -0.34 0.00 0.00 178.44 179.75 3iac h GLY 261 N 0.80 0.83 1.45 3.75 0.00 -0.51 -1.33 103.07 108.05 3iac h GLY 261 Ca 0.30 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3iac h GLY 261 CO -0.10 0.51 -0.03 0.50 0.00 0.00 0.00 176.54 177.42 3iac h LYS 262 N 0.64 0.68 -0.04 4.80 1.57 -0.35 -1.82 116.57 122.04 3iac h LYS 262 Ca 0.14 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3iac h LYS 262 Cb 0.38 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3iac h LYS 262 CO 0.01 0.72 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.51 3iac h ARG 263 N 0.63 0.08 -0.05 3.15 9.65 -1.04 0.27 114.38 127.07 3iac h ARG 263 Ca 0.12 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3iac h ARG 263 Cb 0.45 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3iac h ARG 263 CO 0.02 0.38 -0.01 -0.07 2.80 0.00 0.00 179.97 183.09 3iac h LEU 264 N -0.24 0.06 -1.28 3.80 3.38 -1.11 -1.31 115.31 118.60 3iac h LEU 264 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iac h LEU 264 Cb 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iac h LEU 264 CO 0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 3iac n ALA 265 N -2.52 2.64 -0.98 1.53 0.00 -0.70 -4.91 120.51 115.57 3iac n ALA 265 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3iac n ALA 265 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3iac n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iac n GLY 266 N 0.68 0.23 3.80 0.00 0.00 -0.50 -4.99 105.19 104.42 3iac n GLY 266 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3iac n GLY 266 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iac s GLU 267 N -1.09 4.06 0.13 1.61 2.02 0.07 -5.01 118.70 120.49 3iac s GLU 267 Ca 0.00 1.31 -0.30 0.00 0.02 0.00 0.00 54.97 56.00 3iac s GLU 267 Cb 0.00 -2.25 -0.06 0.00 0.10 0.00 0.00 34.13 31.91 3iac s GLU 267 CO 0.00 -0.20 0.94 0.95 0.02 0.00 0.00 175.26 176.97 3iac s THR 268 N -1.96 4.45 0.19 3.63 -4.23 -1.26 -4.38 115.64 112.07 3iac s THR 268 Ca 0.63 2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 63.10 3iac s THR 268 Cb -0.15 -4.31 -0.06 0.00 1.34 0.00 0.00 72.50 69.32 3iac s THR 268 CO 0.19 0.35 0.47 -0.76 -0.54 0.00 0.00 174.62 174.34 3iac s LEU 269 N -0.21 4.21 0.70 4.79 1.43 -1.26 -5.04 118.68 123.30 3iac s LEU 269 Ca 0.45 0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 54.24 3iac s LEU 269 Cb -0.24 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3iac s LEU 269 CO 0.30 -0.01 1.05 -0.94 0.23 0.00 0.00 176.35 176.97 3iac s SER 270 N -2.38 5.12 0.22 2.29 1.04 -1.26 -4.89 113.70 113.84 3iac s SER 270 Ca 0.44 0.79 -0.09 0.00 0.48 0.00 0.00 55.95 57.58 3iac s SER 270 Cb -0.12 -1.53 0.19 0.00 0.10 0.00 0.00 66.02 64.66 3iac s SER 270 CO 0.23 -1.46 1.90 -0.33 0.98 0.00 0.00 173.24 174.55 3iac h GLU 271 N -0.62 1.12 -0.29 4.02 4.39 -1.99 -1.80 114.58 119.41 3iac h GLU 271 Ca -0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3iac h GLU 271 Cb 1.29 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3iac h GLU 271 CO 0.63 0.75 0.18 1.25 -1.16 0.00 0.00 179.01 180.65 3iac h LEU 272 N 1.15 0.34 -0.83 1.33 5.85 -1.99 -1.02 115.31 120.14 3iac h LEU 272 Ca 0.31 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3iac h LEU 272 Cb -0.13 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3iac h LEU 272 CO -0.07 0.27 0.53 -0.33 -0.34 0.00 0.00 178.44 178.50 3iac h GLU 273 N 0.38 0.99 -0.26 1.25 5.08 -1.84 0.14 114.58 120.31 3iac h GLU 273 Ca 0.10 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3iac h GLU 273 Cb -0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3iac h GLU 273 CO -0.02 0.65 0.01 0.82 -1.00 0.00 0.00 179.01 179.47 3iac h ILE 274 N 1.01 1.25 -0.78 3.13 2.04 -1.09 -2.02 117.51 121.05 3iac h ILE 274 Ca 0.34 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3iac h ILE 274 Cb 0.05 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3iac h ILE 274 CO -0.13 0.28 0.48 0.00 0.00 0.00 0.00 178.15 178.78 3iac h ALA 275 N 0.83 1.00 0.06 1.87 0.00 -0.68 0.75 119.26 123.08 3iac h ALA 275 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iac h ALA 275 Cb 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iac h ALA 275 CO 0.01 0.45 -0.03 1.96 0.00 0.00 0.00 179.25 181.65 3iac h GLN 276 N 1.07 -0.08 -0.10 0.00 4.20 -0.62 0.28 115.11 119.87 3iac h GLN 276 Ca 0.28 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3iac h GLN 276 Cb -0.06 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3iac h GLN 276 CO -0.05 0.04 0.03 0.35 -0.67 0.00 0.00 178.83 178.52 3iac h PHE 277 N -0.17 0.16 -0.57 2.96 3.04 -1.15 -0.89 116.94 120.31 3iac h PHE 277 Ca -0.01 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.96 3iac h PHE 277 Cb 0.15 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 3iac h PHE 277 CO -0.04 0.30 0.33 1.15 -2.02 0.00 0.00 178.31 178.03 3iac h THR 278 N -0.03 1.03 -0.50 4.41 2.02 -0.84 -1.67 112.91 117.33 3iac h THR 278 Ca 0.03 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3iac h THR 278 Cb 0.22 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3iac h THR 278 CO -0.00 0.12 -0.04 0.74 0.37 0.00 0.00 175.52 176.71 3iac h THR 279 N 0.65 1.27 -0.76 3.16 2.02 -0.83 -1.30 112.91 117.12 3iac h THR 279 Ca 0.24 -1.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 3iac h THR 279 Cb 0.07 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3iac h THR 279 CO -0.12 0.40 0.41 0.00 0.37 0.00 0.00 175.52 176.58 3iac h ALA 280 N 0.92 1.29 -0.14 6.16 0.00 -0.87 0.18 119.26 126.80 3iac h ALA 280 Ca 0.14 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3iac h ALA 280 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iac h ALA 280 CO 0.03 0.57 -0.43 0.28 0.00 0.00 0.00 179.25 179.71 3iac h VAL 281 N 1.06 1.35 -0.48 0.00 2.07 -1.11 -1.96 116.25 117.18 3iac h VAL 281 Ca 0.27 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 3iac h VAL 281 Cb 0.04 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3iac h VAL 281 CO -0.04 0.52 -0.04 -0.07 0.02 0.00 0.00 177.57 177.96 3iac h LEU 282 N 0.17 0.87 -0.21 2.57 3.38 -0.98 -1.04 115.31 120.06 3iac h LEU 282 Ca -0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3iac h LEU 282 Cb 1.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3iac h LEU 282 CO 0.09 0.99 0.00 0.58 0.09 0.00 0.00 178.44 180.19 3iac h VAL 283 N 0.73 1.25 -0.20 1.22 2.07 -0.70 0.64 116.25 121.26 3iac h VAL 283 Ca 0.13 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3iac h VAL 283 Cb 0.57 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3iac h VAL 283 CO 0.03 0.27 -0.06 -0.25 0.02 0.00 0.00 177.57 177.58 3iac h TRP 284 N 0.13 -0.13 -0.58 1.57 7.01 -1.31 -1.58 115.95 121.07 3iac h TRP 284 Ca 0.06 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.09 3iac h TRP 284 Cb 0.40 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 3iac h TRP 284 CO 0.03 -0.10 0.38 -0.07 -2.79 0.00 0.00 178.44 175.89 3iac h LEU 285 N -0.01 0.65 -0.74 0.65 3.38 -1.07 -1.95 115.31 116.22 3iac h LEU 285 Ca 0.10 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3iac h LEU 285 Cb 0.16 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3iac h LEU 285 CO -0.21 0.47 0.40 1.23 0.09 0.00 0.00 178.44 180.41 3iac h GLY 286 N 0.77 1.11 1.19 0.83 0.00 -0.46 0.13 103.07 106.64 3iac h GLY 286 Ca 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3iac h GLY 286 CO -0.06 0.12 0.23 3.21 0.00 0.00 0.00 176.54 180.04 3iac h ARG 287 N 0.70 1.02 -0.39 4.80 3.08 -0.85 -0.71 114.38 122.03 3iac h ARG 287 Ca 0.35 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3iac h ARG 287 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3iac h ARG 287 CO -0.23 0.86 0.16 1.96 -1.07 0.00 0.00 179.97 181.65 3iac h GLN 288 N 0.99 0.58 -0.74 0.04 1.08 -0.46 -0.87 115.11 115.72 3iac h GLN 288 Ca 0.22 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3iac h GLN 288 Cb 0.25 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 3iac h GLN 288 CO -0.01 0.55 0.43 1.88 -0.95 0.00 0.00 178.83 180.73 3iac h TYR 289 N 0.48 1.00 -0.27 2.96 0.05 -0.35 -1.63 116.97 119.21 3iac h TYR 289 Ca 0.13 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.91 3iac h TYR 289 Cb 0.18 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3iac h TYR 289 CO -0.00 0.68 0.16 0.00 -1.05 0.00 0.00 178.16 177.95 3iac h ALA 290 N 1.23 0.34 0.00 3.88 0.00 -0.89 0.62 119.26 124.44 3iac h ALA 290 Ca 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3iac h ALA 290 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iac h ALA 290 CO -0.05 -0.21 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 3iac h ALA 291 N 1.11 1.57 -0.01 0.00 0.00 -0.76 -2.86 119.26 118.32 3iac h ALA 291 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iac h ALA 291 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3iac h ALA 291 CO -0.04 0.31 -0.53 0.54 0.00 0.00 0.00 179.25 179.53 3iac n ARG 292 N -4.22 0.66 -1.15 0.00 1.74 -0.65 -4.96 116.66 108.07 3iac n ARG 292 Ca -0.02 -0.49 -0.03 0.00 -0.77 0.00 0.00 57.85 56.54 3iac n ARG 292 Cb 0.31 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3iac n ARG 292 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iac n GLY 293 N 1.43 0.59 3.85 -0.13 0.00 0.09 -4.94 105.19 106.08 3iac n GLY 293 Ca 0.08 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3iac n GLY 293 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iac s TRP 294 N -2.11 3.44 0.00 1.61 0.52 -0.50 -4.61 118.94 117.29 3iac s TRP 294 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 56.10 57.41 3iac s TRP 294 Cb 0.00 -2.64 0.00 0.00 -1.15 0.00 0.00 33.47 29.68 3iac s TRP 294 CO 0.00 -0.21 0.00 0.28 0.02 0.00 0.00 176.95 177.04 3iac n VAL 295 N -1.31 0.00 -3.65 4.03 0.31 -0.85 -4.00 118.33 112.86 3iac n VAL 295 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.36 3iac n VAL 295 Cb 0.54 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.75 3iac n VAL 295 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3iac s GLN 297 N 0.46 0.24 -0.20 5.55 -0.21 -0.27 -0.14 119.66 125.09 3iac s GLN 297 Ca 0.00 0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.76 3iac s GLN 297 Cb 0.00 0.07 0.04 0.00 1.00 0.00 0.00 33.01 34.12 3iac s GLN 297 CO 0.00 -0.04 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.47 3iac s LEU 298 N 0.84 2.50 -0.44 2.90 1.43 -0.47 -1.09 118.68 124.34 3iac s LEU 298 Ca -0.04 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 3iac s LEU 298 Cb -0.04 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.85 3iac s LEU 298 CO -0.12 -0.09 0.32 -1.00 0.23 0.00 0.00 176.35 175.68 3iac s HIS 299 N 1.28 3.32 -0.08 0.29 3.76 0.47 -0.96 115.29 123.36 3iac s HIS 299 Ca -0.01 -1.38 0.01 0.00 -0.15 0.00 0.00 55.06 53.54 3iac s HIS 299 Cb -0.16 -3.10 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 3iac s HIS 299 CO -0.09 -0.85 -0.10 0.42 -0.85 0.00 0.00 174.74 173.26 3iac s ILE 300 N 1.49 3.38 0.00 0.60 1.01 0.08 -0.69 121.20 127.07 3iac s ILE 300 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3iac s ILE 300 Cb -0.24 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3iac s ILE 300 CO 0.03 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.15 3iac n GLY 301 N 2.63 1.29 3.82 6.18 0.00 -0.76 -0.27 105.19 118.08 3iac n GLY 301 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3iac n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iac s ALA 302 N -2.00 3.08 -0.23 4.61 0.00 -1.26 0.13 121.76 126.10 3iac s ALA 302 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.35 3iac s ALA 302 Cb 0.00 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.05 3iac s ALA 302 CO 0.00 0.16 -0.14 -1.50 0.00 0.00 0.00 175.76 174.27 3iac s ILE 303 N -2.11 2.18 0.27 0.00 2.07 -0.21 -4.56 121.20 118.84 3iac s ILE 303 Ca 0.60 -1.30 0.07 0.00 -1.41 0.00 0.00 60.65 58.61 3iac s ILE 303 Cb -0.10 -2.12 -0.03 0.00 0.13 0.00 0.00 42.46 40.33 3iac s ILE 303 CO 0.14 0.22 0.20 -0.13 -1.91 0.00 0.00 174.94 173.47 3iac s ARG 304 N 1.20 2.82 -1.30 3.50 0.52 -1.26 -1.24 118.95 123.19 3iac s ARG 304 Ca -0.03 -1.15 -0.14 0.00 -0.52 0.00 0.00 55.73 53.90 3iac s ARG 304 Cb -0.17 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.80 3iac s ARG 304 CO -0.08 0.33 0.55 0.09 0.02 0.00 0.00 175.30 176.20 3iac n ASN 305 N -1.20 -2.55 0.24 0.23 3.02 -1.23 -4.88 115.26 108.89 3iac n ASN 305 Ca -0.06 -1.10 0.13 0.00 -0.03 0.00 0.00 54.58 53.52 3iac n ASN 305 Cb 0.58 -2.74 0.49 0.00 -0.61 0.00 0.00 39.78 37.50 3iac n ASN 305 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3iac h ASN 306 N -2.01 0.00 -3.39 6.41 2.35 -1.63 -3.40 115.58 113.91 3iac h ASN 306 Ca -0.66 0.00 -0.72 0.00 -0.55 0.00 0.00 56.30 54.37 3iac h ASN 306 Cb 1.38 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.44 3iac h ASN 306 CO 0.57 0.10 -0.41 0.21 -1.65 0.00 0.00 177.43 176.25 3iac s ASN 307 N -5.99 5.62 0.15 5.81 3.84 -1.26 -4.96 114.94 118.15 3iac s ASN 307 Ca 0.02 -2.01 -0.16 0.00 0.21 0.00 0.00 52.86 50.92 3iac s ASN 307 Cb 0.09 -1.97 0.01 0.00 -0.55 0.00 0.00 41.25 38.82 3iac s ASN 307 CO 0.61 -0.65 1.80 0.74 -2.79 0.00 0.00 177.10 176.81 3iac h THR 308 N 6.10 1.11 0.00 -5.21 2.02 -1.99 0.81 112.91 115.75 3iac h THR 308 Ca -0.18 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3iac h THR 308 Cb 1.06 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3iac h THR 308 CO 0.82 0.11 0.00 -1.14 0.37 0.00 0.00 175.52 175.68 3iac n ARG 309 N -4.80 0.00 0.00 6.66 0.63 -1.26 -1.52 116.66 116.37 3iac n ARG 309 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3iac n ARG 309 Cb 0.04 -0.96 0.00 0.00 0.45 0.00 0.00 32.46 31.98 3iac n ARG 309 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3iac n PHE 311 N 0.30 0.00 0.14 -0.14 -0.00 0.28 -3.25 117.46 114.78 3iac n PHE 311 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.50 3iac n PHE 311 Cb 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 39.48 39.97 3iac n PHE 311 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3iac h ARG 312 N 0.00 0.22 0.13 -4.13 3.08 -1.53 0.27 114.38 112.42 3iac h ARG 312 Ca 0.00 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.69 3iac h ARG 312 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3iac h ARG 312 CO 0.00 0.23 -1.77 1.25 -1.07 0.00 0.00 179.97 178.60 3iac h LEU 313 N 0.22 0.44 0.00 3.04 5.85 -1.83 -3.43 115.31 119.61 3iac h LEU 313 Ca 0.05 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.85 3iac h LEU 313 Cb 0.12 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3iac h LEU 313 CO -0.00 1.77 -1.41 0.18 -0.34 0.00 0.00 178.44 178.64 3iac n LEU 314 N -3.66 0.00 0.00 2.25 4.77 -1.20 -5.14 117.00 114.02 3iac n LEU 314 Ca -0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3iac n LEU 314 Cb 1.00 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3iac n LEU 314 CO 0.43 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3iac n GLY 315 N 2.11 -1.87 3.86 -0.72 0.00 0.93 -4.93 105.19 104.57 3iac n GLY 315 Ca -0.03 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 3iac n GLY 315 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iac s PRO 316 N 0.00 2.58 -1.33 1.61 0.04 -1.26 -4.33 135.00 132.31 3iac s PRO 316 Ca 0.00 0.51 -0.03 0.00 0.04 0.00 0.00 61.00 61.51 3iac s PRO 316 Cb 0.00 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3iac s PRO 316 CO 0.00 -1.25 0.88 -0.25 0.04 0.00 0.00 177.00 176.42 3iac n ASP 317 N -3.16 -2.58 -0.05 6.66 8.00 -1.26 -4.92 116.55 119.25 3iac n ASP 317 Ca 0.07 -0.73 0.04 0.00 0.71 0.00 0.00 54.79 54.88 3iac n ASP 317 Cb 0.57 -4.40 0.06 0.00 -0.02 0.00 0.00 41.12 37.33 3iac n ASP 317 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3iac n THR 318 N -4.39 1.30 0.00 -3.53 -2.24 -1.26 -4.97 114.28 99.19 3iac n THR 318 Ca -0.21 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 3iac n THR 318 Cb 0.64 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3iac n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iac n GLY 319 N -0.87 1.06 0.94 3.38 0.00 -1.26 -4.91 105.19 103.52 3iac n GLY 319 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 3iac n GLY 319 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iac n PHE 320 N -1.87 0.63 -4.38 1.61 3.72 -1.26 -4.86 117.46 111.06 3iac n PHE 320 Ca 0.00 -1.57 -0.30 0.00 -0.05 0.00 0.00 57.45 55.52 3iac n PHE 320 Cb 0.00 -0.39 -0.11 0.00 -0.94 0.00 0.00 39.48 38.04 3iac n PHE 320 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iac s ASP 321 N -2.85 4.21 0.00 4.37 -0.00 -1.26 -1.77 116.67 119.37 3iac s ASP 321 Ca 0.42 -0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.58 3iac s ASP 321 Cb 0.39 -0.77 0.00 0.00 -0.00 0.00 0.00 42.92 42.54 3iac s ASP 321 CO -0.03 0.21 0.00 -1.54 -0.00 0.00 0.00 175.17 173.81 3iac n SER 322 N 1.05 0.00 -4.66 0.27 3.41 -0.37 -5.00 113.62 108.32 3iac n SER 322 Ca -0.15 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 3iac n SER 322 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3iac n SER 322 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iac s ILE 323 N -2.08 4.86 0.96 -1.33 1.01 -1.26 -1.05 121.20 122.31 3iac s ILE 323 Ca 0.00 1.60 -0.15 0.00 0.00 0.00 0.00 60.65 62.10 3iac s ILE 323 Cb 0.00 -4.13 0.21 0.00 0.01 0.00 0.00 42.46 38.56 3iac s ILE 323 CO 0.00 -0.03 1.31 -0.83 0.00 0.00 0.00 174.94 175.40 3iac s GLY 324 N 1.25 1.81 -0.10 6.18 0.00 0.12 -4.75 107.32 111.84 3iac s GLY 324 Ca 0.36 -1.38 0.13 0.00 0.00 0.00 0.00 44.72 43.83 3iac s GLY 324 CO 0.10 -0.58 1.17 2.09 0.00 0.00 0.00 173.10 175.88 3iac n ASP 325 N -3.74 -0.22 -4.76 1.64 5.75 -1.26 -4.62 116.55 109.34 3iac n ASP 325 Ca 0.17 -2.05 -0.33 0.00 -0.01 0.00 0.00 54.79 52.57 3iac n ASP 325 Cb 0.59 0.11 0.05 0.00 -1.03 0.00 0.00 41.12 40.85 3iac n ASP 325 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3iac s ASN 326 N -1.66 4.98 0.14 -1.12 0.01 -1.26 -4.99 114.94 111.03 3iac s ASN 326 Ca 0.14 2.09 -0.30 0.00 -0.71 0.00 0.00 52.86 54.09 3iac s ASN 326 Cb 0.24 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.26 3iac s ASN 326 CO -0.08 -1.72 1.13 0.20 -1.51 0.00 0.00 177.10 175.12 3iac s ASN 327 N -2.39 7.20 0.00 -1.22 0.01 -1.26 -4.94 114.94 112.34 3iac s ASN 327 Ca 0.69 2.06 0.00 0.00 -0.71 0.00 0.00 52.86 54.90 3iac s ASN 327 Cb -0.23 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.84 3iac s ASN 327 CO 0.41 -0.30 0.00 2.30 -1.51 0.00 0.00 177.10 177.99 3iac n ILE 328 N 2.86 0.00 -0.11 0.60 -5.35 -1.26 -4.88 119.36 111.23 3iac n ILE 328 Ca 0.05 -0.22 -0.05 0.00 -0.27 0.00 0.00 62.75 62.25 3iac n ILE 328 Cb 0.46 0.72 0.02 0.00 -1.74 0.00 0.00 39.64 39.11 3iac n ILE 328 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3iac h SER 329 N 0.00 0.05 0.34 7.28 4.64 -1.98 -0.45 113.55 123.42 3iac h SER 329 Ca 0.00 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3iac h SER 329 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3iac h SER 329 CO 0.00 0.06 -0.16 -0.25 -0.87 0.00 0.00 176.83 175.61 3iac h TRP 330 N 0.22 -0.42 -0.79 4.77 7.01 -1.99 -0.69 115.95 124.06 3iac h TRP 330 Ca 0.18 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.12 3iac h TRP 330 Cb 0.19 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 3iac h TRP 330 CO -0.18 -0.23 0.30 0.00 -2.79 0.00 0.00 178.44 175.54 3iac h ALA 331 N 0.15 1.03 -0.34 2.65 0.00 -1.87 -1.09 119.26 119.79 3iac h ALA 331 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3iac h ALA 331 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iac h ALA 331 CO 0.08 0.66 0.18 1.25 0.00 0.00 0.00 179.25 181.42 3iac h LEU 332 N 1.15 0.43 0.02 0.00 5.85 -0.98 -0.70 115.31 121.09 3iac h LEU 332 Ca 0.26 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3iac h LEU 332 Cb 0.24 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3iac h LEU 332 CO -0.02 0.41 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.21 3iac h SER 333 N 0.42 -0.02 -0.80 1.25 0.87 -0.86 -1.50 113.55 112.91 3iac h SER 333 Ca 0.12 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3iac h SER 333 Cb 0.08 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3iac h SER 333 CO -0.02 -0.01 0.52 0.03 -0.53 0.00 0.00 176.83 176.82 3iac h ARG 334 N -0.02 1.02 0.13 2.24 2.47 -1.06 -0.39 114.38 118.76 3iac h ARG 334 Ca -0.00 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3iac h ARG 334 Cb 0.02 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 3iac h ARG 334 CO 0.00 0.67 -0.06 1.25 0.56 0.00 0.00 179.97 182.40 3iac h LEU 335 N 1.05 -0.14 -0.75 3.04 5.85 -0.98 0.41 115.31 123.79 3iac h LEU 335 Ca 0.30 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3iac h LEU 335 Cb -0.08 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3iac h LEU 335 CO -0.08 0.11 0.30 -0.07 -0.34 0.00 0.00 178.44 178.36 3iac h LEU 336 N -0.40 1.03 -1.16 2.25 3.38 -1.18 -2.59 115.31 116.65 3iac h LEU 336 Ca -0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3iac h LEU 336 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3iac h LEU 336 CO 0.03 0.92 -0.20 -0.78 0.09 0.00 0.00 178.44 178.50 3iac h ASP 337 N 1.08 0.34 0.00 -0.43 3.58 -0.97 -0.74 116.42 119.27 3iac h ASP 337 Ca 0.25 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3iac h ASP 337 Cb 0.21 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3iac h ASP 337 CO -0.02 0.55 0.00 -1.20 -2.88 0.00 0.00 179.24 175.69 3iac n SER 338 N -4.18 0.07 0.00 2.28 7.64 0.12 -1.06 113.62 118.49 3iac n SER 338 Ca -0.00 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.73 3iac n SER 338 Cb 0.34 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3iac n SER 338 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3iac n ASP 340 N 0.39 0.00 0.14 6.43 2.03 -0.29 -4.62 116.55 120.63 3iac n ASP 340 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 3iac n ASP 340 Cb 0.02 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 40.93 3iac n ASP 340 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3iac h VAL 341 N 0.00 1.07 -0.54 5.18 3.04 -1.36 0.19 116.25 123.83 3iac h VAL 341 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3iac h VAL 341 Cb 0.00 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 3iac h VAL 341 CO 0.00 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 176.99 3iac n THR 342 N -4.47 2.49 -3.61 3.17 -2.24 -1.26 -4.92 114.28 103.45 3iac n THR 342 Ca -0.00 -1.43 -0.25 0.00 -2.27 0.00 0.00 64.05 60.09 3iac n THR 342 Cb 0.11 -0.18 0.06 0.00 -2.10 0.00 0.00 70.33 68.22 3iac n THR 342 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3iac n ASN 343 N 0.57 -5.92 -0.71 3.42 5.15 0.67 -4.92 115.26 113.51 3iac n ASN 343 Ca 0.26 -0.57 0.04 0.00 -0.60 0.00 0.00 54.58 53.71 3iac n ASN 343 Cb 1.09 -4.69 0.20 0.00 -0.53 0.00 0.00 39.78 35.85 3iac n ASN 343 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3iac n GLU 344 N -4.80 1.65 -2.87 1.20 1.02 -1.26 -4.98 120.64 110.60 3iac n GLU 344 Ca 0.01 -3.23 -0.41 0.00 -0.02 0.00 0.00 57.16 53.50 3iac n GLU 344 Cb 0.56 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 3iac n GLU 344 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3iac s LEU 345 N -3.22 4.24 0.83 -4.62 2.96 -1.26 -4.15 118.68 113.46 3iac s LEU 345 Ca 0.39 1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 55.49 3iac s LEU 345 Cb 0.37 -3.29 0.13 0.00 0.50 0.00 0.00 46.19 43.90 3iac s LEU 345 CO -0.05 -0.33 1.16 -2.16 -1.32 0.00 0.00 176.35 173.65 3iac s PRO 346 N 1.73 1.41 0.17 0.98 0.04 -1.26 -4.87 135.00 133.19 3iac s PRO 346 Ca 0.41 -0.46 -0.34 0.00 0.04 0.00 0.00 61.00 60.65 3iac s PRO 346 Cb -0.18 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 3iac s PRO 346 CO 0.16 -1.81 1.50 1.63 0.04 0.00 0.00 177.00 178.52 3iac n LYS 347 N -3.30 1.97 -4.04 4.56 5.02 -1.26 -4.90 118.16 116.21 3iac n LYS 347 Ca 0.12 0.71 -0.17 0.00 -2.02 0.00 0.00 58.31 56.95 3iac n LYS 347 Cb 0.60 -2.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.02 3iac n LYS 347 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iac s THR 348 N 0.64 0.30 -0.16 -0.18 2.01 -0.83 -4.42 115.64 113.01 3iac s THR 348 Ca 0.77 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 3iac s THR 348 Cb -0.72 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3iac s THR 348 CO 0.42 0.14 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.74 3iac s ILE 349 N 0.58 2.96 -0.15 1.82 1.01 -1.26 -0.02 121.20 126.15 3iac s ILE 349 Ca -0.06 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3iac s ILE 349 Cb -0.09 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3iac s ILE 349 CO -0.01 0.50 0.01 -0.76 0.00 0.00 0.00 174.94 174.69 3iac s LEU 350 N 0.78 3.57 -0.03 2.97 1.43 -0.04 -1.37 118.68 125.99 3iac s LEU 350 Ca -0.05 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3iac s LEU 350 Cb -0.15 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3iac s LEU 350 CO 0.01 0.23 -0.15 -0.31 0.23 0.00 0.00 176.35 176.36 3iac s TYR 351 N 0.03 1.42 -0.06 0.29 1.51 -0.14 -0.81 117.35 119.59 3iac s TYR 351 Ca 0.03 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3iac s TYR 351 Cb -0.13 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 3iac s TYR 351 CO 0.02 -0.10 -0.24 0.00 -1.11 0.00 0.00 175.55 174.12 3iac h LEU 353 N 6.18 0.00 -8.62 0.00 5.85 -0.93 -3.43 115.31 114.36 3iac h LEU 353 Ca -0.30 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.74 3iac h LEU 353 Cb 1.19 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.04 3iac h LEU 353 CO 0.47 0.73 -0.21 0.21 -0.34 0.00 0.00 178.44 179.30 3iac s ASN 354 N -6.39 6.20 0.02 1.25 3.84 -1.26 -4.81 114.94 113.79 3iac s ASN 354 Ca 0.01 -0.47 0.06 0.00 0.21 0.00 0.00 52.86 52.67 3iac s ASN 354 Cb 0.09 -2.22 0.27 0.00 -0.55 0.00 0.00 41.25 38.84 3iac s ASN 354 CO 0.79 -0.50 1.19 -0.81 -2.79 0.00 0.00 177.10 174.99 3iac n PRO 355 N 5.55 0.01 0.18 0.43 -0.04 -1.26 -1.41 135.00 138.45 3iac n PRO 355 Ca -0.08 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 3iac n PRO 355 Cb 0.48 -1.52 0.59 0.00 -0.04 0.00 0.00 33.50 33.01 3iac n PRO 355 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3iac h ARG 356 N 0.00 0.00 -0.11 0.54 0.11 -1.97 -1.81 114.38 111.14 3iac h ARG 356 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iac h ARG 356 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3iac h ARG 356 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3iac n ASP 357 N -2.44 2.19 -0.18 0.08 8.00 -0.50 -4.55 116.55 119.15 3iac n ASP 357 Ca 0.01 -1.74 -0.02 0.00 0.71 0.00 0.00 54.79 53.75 3iac n ASP 357 Cb 0.19 -0.06 0.06 0.00 -0.02 0.00 0.00 41.12 41.28 3iac n ASP 357 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3iac h ASN 358 N 3.19 -0.44 0.19 -2.24 2.35 -1.50 -1.41 115.58 115.73 3iac h ASN 358 Ca 0.00 0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 3iac h ASN 358 Cb 0.69 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3iac h ASN 358 CO 0.00 -0.16 -0.56 -0.33 -1.65 0.00 0.00 177.43 174.73 3iac h GLU 359 N 0.03 0.39 -0.18 0.81 3.07 -1.83 -0.28 114.58 116.59 3iac h GLU 359 Ca 0.27 -0.25 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 3iac h GLU 359 Cb 0.42 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3iac h GLU 359 CO -0.54 0.85 0.05 0.28 -1.40 0.00 0.00 179.01 178.25 3iac h VAL 360 N 0.30 0.95 -0.33 3.13 2.07 -1.67 -1.81 116.25 118.88 3iac h VAL 360 Ca 0.00 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 3iac h VAL 360 Cb 1.08 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3iac h VAL 360 CO 0.10 0.03 -0.44 -0.07 0.02 0.00 0.00 177.57 177.20 3iac h LEU 361 N 0.14 0.93 -1.28 2.57 4.07 -1.12 -3.16 115.31 117.46 3iac h LEU 361 Ca 0.08 -0.45 -0.04 0.00 0.08 0.00 0.00 57.88 57.55 3iac h LEU 361 Cb 0.06 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 3iac h LEU 361 CO -0.09 1.23 0.08 0.00 -1.08 0.00 0.00 178.44 178.58 3iac h ALA 362 N 0.80 1.42 -0.46 1.53 0.00 -0.96 -2.53 119.26 119.06 3iac h ALA 362 Ca 0.04 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 3iac h ALA 362 Cb 1.03 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 3iac h ALA 362 CO 0.10 0.42 0.38 0.25 0.00 0.00 0.00 179.25 180.40 3iac n THR 363 N -4.32 2.87 0.00 0.00 -2.24 -0.69 -4.27 114.28 105.64 3iac n THR 363 Ca 0.02 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.92 3iac n THR 363 Cb 0.20 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 3iac n THR 363 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3iac n ILE 365 N 0.54 0.00 0.34 2.28 -5.35 -0.96 -3.75 119.36 112.47 3iac n ILE 365 Ca 0.33 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.95 3iac n ILE 365 Cb 0.58 0.00 0.58 0.00 -1.74 0.00 0.00 39.64 39.06 3iac n ILE 365 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3iac h GLY 366 N 0.00 0.00 1.89 3.28 0.00 -1.86 -2.75 103.07 103.62 3iac h GLY 366 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iac h GLY 366 CO 0.00 0.00 -0.10 3.43 0.00 0.00 0.00 176.54 179.87 3iac h ASN 367 N 0.00 0.00 0.00 0.19 2.35 -1.95 -3.38 115.58 112.79 3iac h ASN 367 Ca 0.00 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3iac h ASN 367 Cb 0.35 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.60 3iac h ASN 367 CO 0.00 0.01 -0.58 0.49 -1.65 0.00 0.00 177.43 175.70 3iac n PHE 368 N -2.72 0.00 -1.23 1.19 3.72 -1.04 -5.09 117.46 112.30 3iac n PHE 368 Ca 0.04 -0.93 -0.31 0.00 -0.05 0.00 0.00 57.45 56.20 3iac n PHE 368 Cb 0.49 -0.18 0.10 0.00 -0.94 0.00 0.00 39.48 38.95 3iac n PHE 368 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iac s GLN 369 N -1.80 2.16 0.10 -1.08 -1.52 -1.23 -4.72 119.66 111.56 3iac s GLN 369 Ca 0.31 1.18 0.01 0.00 -1.95 0.00 0.00 55.36 54.91 3iac s GLN 369 Cb 0.32 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 31.18 3iac s GLN 369 CO -0.08 -1.72 -0.04 0.20 -0.25 0.00 0.00 175.29 173.41 3iac s GLY 370 N -3.36 0.77 0.66 3.09 0.00 -1.26 -5.03 107.32 102.19 3iac s GLY 370 Ca 0.61 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.86 3iac s GLY 370 CO 0.56 -1.42 1.06 2.56 0.00 0.00 0.00 173.10 175.86 3iac s PRO 371 N -3.89 3.05 -0.15 2.90 0.04 -1.26 -4.04 135.00 131.65 3iac s PRO 371 Ca 0.13 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3iac s PRO 371 Cb 0.06 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3iac s PRO 371 CO -0.04 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3iac n GLY 372 N -1.68 0.38 3.13 0.56 0.00 -1.26 -4.98 105.19 101.34 3iac n GLY 372 Ca 0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3iac n GLY 372 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iac s ILE 373 N -1.63 -0.01 -1.01 -0.61 2.07 -1.26 -5.10 121.20 113.66 3iac s ILE 373 Ca 0.00 0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.05 3iac s ILE 373 Cb 0.00 -0.37 0.07 0.00 0.13 0.00 0.00 42.46 42.29 3iac s ILE 373 CO 0.00 0.01 1.38 0.00 -1.91 0.00 0.00 174.94 174.42 3iac s ALA 374 N 0.35 2.91 0.00 1.50 0.00 -1.26 -4.23 121.76 121.03 3iac s ALA 374 Ca -0.02 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 49.52 3iac s ALA 374 Cb -0.03 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.67 3iac s ALA 374 CO -0.01 -3.45 0.00 0.41 0.00 0.00 0.00 175.76 172.71 3iac n GLY 375 N 6.47 0.50 0.25 0.00 0.00 -1.26 -4.91 105.19 106.23 3iac n GLY 375 Ca 0.31 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3iac n GLY 375 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iac h LYS 376 N 0.00 0.32 -5.13 1.61 3.64 -1.84 -3.37 116.57 111.79 3iac h LYS 376 Ca 0.00 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.72 3iac h LYS 376 Cb 0.92 -0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.45 3iac h LYS 376 CO 0.00 0.21 -0.65 0.08 -2.27 0.00 0.00 179.45 176.83 3iac s VAL 377 N -6.08 4.08 0.14 2.00 1.01 -1.26 -1.96 120.40 118.34 3iac s VAL 377 Ca -0.13 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3iac s VAL 377 Cb 0.19 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3iac s VAL 377 CO 0.75 0.43 -0.15 -1.10 0.00 0.00 0.00 175.10 175.03 3iac s GLN 378 N 0.95 1.89 -0.37 2.72 -1.52 0.97 -4.90 119.66 119.40 3iac s GLN 378 Ca 0.02 -1.22 -0.11 0.00 -1.95 0.00 0.00 55.36 52.10 3iac s GLN 378 Cb -0.14 -2.13 0.03 0.00 -0.22 0.00 0.00 33.01 30.54 3iac s GLN 378 CO 0.02 0.46 0.20 0.12 -0.25 0.00 0.00 175.29 175.84 3iac s PHE 379 N -1.38 3.24 0.70 0.91 5.36 -1.26 -0.86 117.98 124.69 3iac s PHE 379 Ca 0.21 -0.99 -0.15 0.00 -0.96 0.00 0.00 56.93 55.04 3iac s PHE 379 Cb -0.10 -2.42 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 3iac s PHE 379 CO 0.12 -0.65 1.18 0.20 -1.46 0.00 0.00 175.22 174.61 3iac s GLY 380 N 1.54 2.30 0.76 13.12 0.00 0.01 -4.94 107.32 120.12 3iac s GLY 380 Ca 0.02 0.78 -0.15 0.00 0.00 0.00 0.00 44.72 45.37 3iac s GLY 380 CO 0.06 1.17 1.16 -1.26 0.00 0.00 0.00 173.10 174.23 3iac n SER 381 N -2.57 1.09 -4.51 1.64 2.88 -1.26 -4.78 113.62 106.10 3iac n SER 381 Ca 0.12 0.65 -0.64 0.00 -1.33 0.00 0.00 58.87 57.67 3iac n SER 381 Cb 0.51 -1.49 -0.10 0.00 -0.75 0.00 0.00 64.21 62.38 3iac n SER 381 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iac n GLY 382 N 0.77 0.14 3.78 0.46 0.00 -1.26 -4.89 105.19 104.19 3iac n GLY 382 Ca 0.14 0.99 -0.36 0.00 0.00 0.00 0.00 46.02 46.78 3iac n GLY 382 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3iac s TRP 383 N 3.26 3.51 0.00 1.61 -0.00 -1.26 -3.43 118.94 122.62 3iac s TRP 383 Ca 1.03 0.54 0.00 0.00 -0.00 0.00 0.00 56.10 57.67 3iac s TRP 383 Cb -1.44 -2.18 0.00 0.00 -0.00 0.00 0.00 33.47 29.84 3iac s TRP 383 CO 0.77 0.42 0.00 1.87 -0.00 0.00 0.00 176.95 180.00 3iac n TRP 384 N 3.00 0.00 0.28 5.86 -0.00 -1.26 -0.94 117.44 124.38 3iac n TRP 384 Ca -0.15 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.47 3iac n TRP 384 Cb 0.53 0.00 0.82 0.00 -0.00 0.00 0.00 31.31 32.66 3iac n TRP 384 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3iac h PHE 385 N 0.00 0.00 -0.01 5.87 0.04 -1.92 -0.77 116.94 120.15 3iac h PHE 385 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3iac h PHE 385 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3iac h PHE 385 CO 0.00 0.01 -0.22 0.09 -0.60 0.00 0.00 178.31 177.59 3iac n ASN 386 N -4.05 0.78 -3.78 2.17 3.02 -0.12 -4.53 115.26 108.75 3iac n ASN 386 Ca -0.03 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.40 3iac n ASN 386 Cb 0.09 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3iac n ASN 386 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iac n ASP 387 N -0.84 3.96 -3.38 6.41 2.03 -0.30 -3.98 116.55 120.46 3iac n ASP 387 Ca 0.12 -2.85 -0.10 0.00 0.52 0.00 0.00 54.79 52.49 3iac n ASP 387 Cb 0.32 -1.66 -0.01 0.00 -0.72 0.00 0.00 41.12 39.05 3iac n ASP 387 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iac s GLN 388 N 3.20 1.96 0.15 -0.67 1.03 -1.26 -4.95 119.66 119.12 3iac s GLN 388 Ca 0.47 -1.37 -0.23 0.00 0.04 0.00 0.00 55.36 54.27 3iac s GLN 388 Cb 0.13 0.56 0.02 0.00 0.03 0.00 0.00 33.01 33.76 3iac s GLN 388 CO -0.08 -0.88 1.62 -0.22 -2.54 0.00 0.00 175.29 173.19 3iac h LYS 389 N 2.06 -0.28 -0.31 9.60 3.64 -1.98 -2.57 116.57 126.74 3iac h LYS 389 Ca -0.27 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3iac h LYS 389 Cb 1.25 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3iac h LYS 389 CO 0.35 -0.19 0.11 0.22 -2.27 0.00 0.00 179.45 177.67 3iac h ASP 390 N -0.29 0.44 0.00 4.20 3.58 -1.98 -1.14 116.42 121.23 3iac h ASP 390 Ca 0.13 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.39 3iac h ASP 390 Cb 0.49 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3iac h ASP 390 CO -0.40 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 3iac n GLY 391 N -0.67 0.02 0.75 -0.78 0.00 -0.97 -1.56 105.19 101.98 3iac n GLY 391 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3iac n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iac n LEU 393 N 0.12 0.00 -0.08 0.99 4.77 -0.43 -1.61 117.00 120.76 3iac n LEU 393 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3iac n LEU 393 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3iac n LEU 393 CO 0.00 0.00 0.47 0.03 -1.33 0.00 0.00 177.39 176.56 3iac h ARG 394 N 0.00 0.77 -0.47 3.23 3.08 -1.54 -1.07 114.38 118.39 3iac h ARG 394 Ca 0.00 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.52 3iac h ARG 394 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3iac h ARG 394 CO 0.00 1.10 0.10 0.37 -1.07 0.00 0.00 179.97 180.47 3iac h GLN 395 N 0.52 0.75 -0.72 0.04 -0.00 -1.57 -2.34 115.11 111.81 3iac h GLN 395 Ca 0.02 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.65 58.45 3iac h GLN 395 Cb 1.05 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.40 3iac h GLN 395 CO 0.10 0.75 0.33 -0.07 0.00 0.00 0.00 178.83 179.95 3iac h LEU 396 N 0.63 0.95 -0.52 -2.39 3.38 -1.81 -0.97 115.31 114.58 3iac h LEU 396 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3iac h LEU 396 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3iac h LEU 396 CO 0.00 0.83 0.20 -0.08 0.09 0.00 0.00 178.44 179.48 3iac h GLU 397 N 1.01 0.78 -0.29 1.13 4.57 -1.08 0.23 114.58 120.92 3iac h GLU 397 Ca 0.24 -0.15 -0.15 0.00 -1.18 0.00 0.00 59.36 58.13 3iac h GLU 397 Cb 0.14 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3iac h GLU 397 CO -0.03 0.69 -0.41 1.96 -1.18 0.00 0.00 179.01 180.05 3iac h GLN 398 N 0.70 0.79 -0.67 1.92 1.08 -1.17 -0.35 115.11 117.42 3iac h GLN 398 Ca 0.17 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 56.93 3iac h GLN 398 Cb 0.21 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3iac h GLN 398 CO -0.01 1.09 0.43 1.25 -0.95 0.00 0.00 178.83 180.64 3iac h LEU 399 N 0.55 0.73 -0.32 1.46 5.85 -1.13 -2.96 115.31 119.49 3iac h LEU 399 Ca 0.03 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3iac h LEU 399 Cb 1.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3iac h LEU 399 CO 0.10 0.52 0.02 0.28 -0.34 0.00 0.00 178.44 179.01 3iac h SER 400 N 0.87 0.55 0.00 1.25 0.02 -0.74 0.20 113.55 115.70 3iac h SER 400 Ca 0.26 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3iac h SER 400 Cb -0.05 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3iac h SER 400 CO -0.08 0.71 0.00 0.00 -1.14 0.00 0.00 176.83 176.32 3iac n GLN 401 N -4.56 0.49 0.00 3.45 1.13 -0.16 -4.68 117.38 113.05 3iac n GLN 401 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3iac n GLN 401 Cb 0.25 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.59 3iac n GLN 401 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iac n GLY 403 N -0.01 0.00 3.10 1.08 0.00 0.72 -5.09 105.19 104.98 3iac n GLY 403 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3iac n GLY 403 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iac s LEU 404 N 0.00 4.53 0.32 0.99 1.43 -1.24 -4.97 118.68 119.74 3iac s LEU 404 Ca 0.00 -1.77 0.01 0.00 -1.03 0.00 0.00 54.13 51.34 3iac s LEU 404 Cb 0.00 -1.71 0.55 0.00 0.03 0.00 0.00 46.19 45.06 3iac s LEU 404 CO 0.00 -0.38 1.96 0.25 0.23 0.00 0.00 176.35 178.41 3iac h LEU 405 N 7.89 0.85 -2.20 1.79 5.85 -1.84 -2.47 115.31 125.18 3iac h LEU 405 Ca -0.14 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3iac h LEU 405 Cb 1.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3iac h LEU 405 CO 0.58 0.59 0.26 0.77 -0.34 0.00 0.00 178.44 180.29 3iac h SER 406 N 0.99 0.00 -0.64 1.25 4.64 -1.97 -0.68 113.55 117.14 3iac h SER 406 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3iac h SER 406 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3iac h SER 406 CO -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 3iac n GLN 407 N -3.55 2.68 -1.94 4.77 6.02 -0.93 -4.73 117.38 119.70 3iac n GLN 407 Ca 0.02 -2.55 -0.42 0.00 -0.01 0.00 0.00 57.00 54.04 3iac n GLN 407 Cb 0.37 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 3iac n GLN 407 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3iac s PHE 408 N -1.10 2.56 0.42 1.08 5.36 -0.26 -4.85 117.98 121.19 3iac s PHE 408 Ca 0.45 0.40 0.36 0.00 -0.96 0.00 0.00 56.93 57.18 3iac s PHE 408 Cb 0.24 -3.94 1.80 0.00 -0.34 0.00 0.00 43.02 40.78 3iac s PHE 408 CO 0.32 -3.72 2.16 -0.39 -1.46 0.00 0.00 175.22 172.13 3iac h VAL 409 N 4.66 0.18 0.00 3.12 -1.51 -1.89 -3.40 116.25 117.42 3iac h VAL 409 Ca -0.42 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3iac h VAL 409 Cb 1.20 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3iac h VAL 409 CO 0.92 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 177.91 3iac n GLY 410 N -0.63 1.26 0.00 5.19 0.00 -1.26 -4.02 105.19 105.74 3iac n GLY 410 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3iac n GLY 410 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3iac n LEU 412 N 0.00 0.00 0.10 0.99 -0.00 -1.26 -4.35 117.00 112.48 3iac n LEU 412 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 3iac n LEU 412 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 3iac n LEU 412 CO 0.00 0.00 0.01 0.71 -0.00 0.00 0.00 177.39 178.11 3iac h THR 413 N 2.48 1.44 -3.21 1.47 1.35 -1.92 -3.47 112.91 111.04 3iac h THR 413 Ca 0.00 -2.81 -0.36 0.00 -0.55 0.00 0.00 66.41 62.69 3iac h THR 413 Cb 0.00 2.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 3iac h THR 413 CO 0.00 0.83 -0.46 -0.67 -0.25 0.00 0.00 175.52 174.97 3iac n ASP 414 N -3.63 -5.23 -4.53 5.36 2.03 -0.67 -4.95 116.55 104.94 3iac n ASP 414 Ca -0.09 0.07 -0.26 0.00 0.52 0.00 0.00 54.79 55.03 3iac n ASP 414 Cb 0.97 -4.39 -0.10 0.00 -0.72 0.00 0.00 41.12 36.88 3iac n ASP 414 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3iac s SER 415 N -2.06 3.97 0.00 1.67 0.15 -1.26 -4.55 113.70 111.62 3iac s SER 415 Ca 0.00 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.14 3iac s SER 415 Cb 0.00 -0.54 0.39 0.00 -1.71 0.00 0.00 66.02 64.15 3iac s SER 415 CO 0.00 0.08 1.38 -2.11 1.20 0.00 0.00 173.24 173.79 3iac n ARG 416 N -0.20 2.49 -4.16 5.44 1.85 -1.26 -0.84 116.66 119.99 3iac n ARG 416 Ca -0.09 -2.25 -0.35 0.00 -1.00 0.00 0.00 57.85 54.16 3iac n ARG 416 Cb 0.57 -1.51 -0.09 0.00 -1.05 0.00 0.00 32.46 30.39 3iac n ARG 416 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3iac s SER 417 N -1.58 5.64 0.00 2.89 0.15 -1.26 -4.67 113.70 114.87 3iac s SER 417 Ca 0.37 0.22 0.19 0.00 0.70 0.00 0.00 55.95 57.44 3iac s SER 417 Cb 0.22 -1.75 0.83 0.00 -1.71 0.00 0.00 66.02 63.61 3iac s SER 417 CO 0.32 0.34 1.62 0.49 1.20 0.00 0.00 173.24 177.21 3iac n PHE 418 N 2.39 0.01 0.40 3.44 3.72 -1.26 -2.18 117.46 123.98 3iac n PHE 418 Ca -0.19 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.32 3iac n PHE 418 Cb 0.54 -0.50 0.26 0.00 -0.94 0.00 0.00 39.48 38.84 3iac n PHE 418 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3iac n LEU 419 N -1.51 2.94 0.03 4.37 4.77 -1.26 -4.36 117.00 121.98 3iac n LEU 419 Ca 0.05 -1.37 0.13 0.00 -0.03 0.00 0.00 56.01 54.79 3iac n LEU 419 Cb 0.23 -0.30 0.50 0.00 -2.33 0.00 0.00 43.42 41.52 3iac n LEU 419 CO 0.18 0.69 0.84 -1.54 -1.33 0.00 0.00 177.39 176.23 3iac n SER 420 N 1.12 0.28 0.32 -1.43 3.41 -0.93 -3.98 113.62 112.41 3iac n SER 420 Ca 0.19 0.40 0.21 0.00 -0.26 0.00 0.00 58.87 59.41 3iac n SER 420 Cb 0.49 -0.43 1.12 0.00 -0.26 0.00 0.00 64.21 65.14 3iac n SER 420 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3iac h TYR 421 N 0.00 0.00 0.00 7.33 0.05 -1.82 0.96 116.97 123.49 3iac h TYR 421 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3iac h TYR 421 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3iac h TYR 421 CO 0.00 0.00 0.00 1.79 -1.05 0.00 0.00 178.16 178.90 3iac h THR 422 N 0.00 0.00 0.00 -2.88 1.35 -1.88 -1.39 112.91 108.11 3iac h THR 422 Ca 0.00 -0.20 -0.06 0.00 -0.55 0.00 0.00 66.41 65.60 3iac h THR 422 Cb 0.05 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3iac h THR 422 CO 0.00 0.00 -0.30 0.03 -0.25 0.00 0.00 175.52 175.00 3iac h ARG 423 N 0.00 0.00 -0.29 4.72 3.08 -1.10 -0.50 114.38 120.29 3iac h ARG 423 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3iac h ARG 423 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3iac h ARG 423 CO 0.00 0.30 -0.26 0.45 -1.07 0.00 0.00 179.97 179.39 3iac h HIS 424 N 0.00 0.82 -0.39 3.04 3.86 -1.42 -2.02 115.15 119.05 3iac h HIS 424 Ca -0.00 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 3iac h HIS 424 Cb 0.55 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 3iac h HIS 424 CO 0.00 0.97 0.20 1.49 0.86 0.00 0.00 177.93 181.46 3iac h GLU 425 N 0.44 0.40 0.04 2.45 4.81 -1.41 0.12 114.58 121.42 3iac h GLU 425 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3iac h GLU 425 Cb 0.82 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3iac h GLU 425 CO 0.07 0.26 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.58 3iac h TYR 426 N 0.41 -0.27 -0.16 0.92 3.20 -1.08 -0.98 116.97 119.00 3iac h TYR 426 Ca 0.16 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 3iac h TYR 426 Cb 0.06 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3iac h TYR 426 CO -0.10 -0.16 -0.08 0.35 -1.64 0.00 0.00 178.16 176.53 3iac h PHE 427 N -0.20 -0.18 -0.87 -3.82 3.57 -1.05 -1.94 116.94 112.45 3iac h PHE 427 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3iac h PHE 427 Cb 0.23 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3iac h PHE 427 CO -0.15 -0.12 0.57 0.00 -2.23 0.00 0.00 178.31 176.38 3iac h ARG 428 N -0.06 1.09 -0.24 1.11 3.08 -0.67 0.19 114.38 118.87 3iac h ARG 428 Ca 0.09 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3iac h ARG 428 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iac h ARG 428 CO -0.20 0.72 0.04 0.00 -1.07 0.00 0.00 179.97 179.45 3iac h ARG 429 N 1.12 0.40 -0.04 0.04 3.08 -0.91 -1.06 114.38 117.02 3iac h ARG 429 Ca 0.33 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3iac h ARG 429 Cb -0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3iac h ARG 429 CO -0.09 0.54 0.01 0.82 -1.07 0.00 0.00 179.97 180.17 3iac h ILE 430 N 0.21 0.98 -0.22 2.04 2.04 -0.76 -0.73 117.51 121.08 3iac h ILE 430 Ca 0.07 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3iac h ILE 430 Cb 0.33 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3iac h ILE 430 CO 0.00 0.00 0.03 0.25 0.00 0.00 0.00 178.15 178.44 3iac h LEU 431 N 0.02 -0.01 -1.18 1.44 5.85 -0.59 -0.90 115.31 119.94 3iac h LEU 431 Ca 0.02 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3iac h LEU 431 Cb 0.01 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3iac h LEU 431 CO -0.02 0.03 0.16 0.00 -0.34 0.00 0.00 178.44 178.27 3iac h ASN 433 N 0.72 0.71 0.06 0.00 -1.24 -0.80 0.11 115.58 115.14 3iac h ASN 433 Ca 0.17 -0.33 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 3iac h ASN 433 Cb 0.20 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3iac h ASN 433 CO -0.01 1.05 -0.03 0.25 -1.29 0.00 0.00 177.43 177.40 3iac h LEU 434 N 0.53 -0.07 -0.69 0.34 5.85 -0.58 0.75 115.31 121.44 3iac h LEU 434 Ca 0.04 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3iac h LEU 434 Cb 0.97 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3iac h LEU 434 CO 0.09 0.08 0.24 -0.07 -0.34 0.00 0.00 178.44 178.43 3iac h LEU 435 N -0.22 0.99 -0.78 2.25 3.38 -1.21 -1.95 115.31 117.76 3iac h LEU 435 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3iac h LEU 435 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3iac h LEU 435 CO 0.01 0.92 0.29 1.23 0.09 0.00 0.00 178.44 180.99 3iac h GLY 436 N 1.00 1.26 1.01 0.83 0.00 -0.84 -1.46 103.07 104.88 3iac h GLY 436 Ca 0.22 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 3iac h GLY 436 CO -0.01 0.66 -0.21 -1.61 0.00 0.00 0.00 176.54 175.37 3iac h GLN 437 N 1.14 0.80 -0.90 4.80 5.75 -0.65 -1.00 115.11 125.04 3iac h GLN 437 Ca 0.26 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3iac h GLN 437 Cb 0.24 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3iac h GLN 437 CO -0.02 0.99 0.54 -1.49 -2.65 0.00 0.00 178.83 176.20 3iac h TRP 438 N 0.60 1.19 -0.16 3.99 6.55 -1.11 -0.82 115.95 126.18 3iac h TRP 438 Ca 0.08 -0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 3iac h TRP 438 Cb 0.77 -0.39 -0.00 0.00 -0.86 0.00 0.00 29.16 28.67 3iac h TRP 438 CO 0.06 0.79 -0.06 0.00 -1.05 0.00 0.00 178.44 178.18 3iac h ALA 439 N 1.35 0.22 -0.56 1.49 0.00 -1.06 0.18 119.26 120.89 3iac h ALA 439 Ca 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iac h ALA 439 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3iac h ALA 439 CO -0.06 0.00 0.27 0.37 0.00 0.00 0.00 179.25 179.83 3iac h GLN 440 N 0.01 0.78 -0.03 0.00 4.15 -0.95 -1.92 115.11 117.15 3iac h GLN 440 Ca 0.04 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3iac h GLN 440 Cb 0.51 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3iac h GLN 440 CO 0.02 0.60 0.00 -0.25 -1.93 0.00 0.00 178.83 177.27 3iac n ASP 441 N -4.37 0.42 -0.88 -0.69 8.00 -0.33 -4.90 116.55 113.80 3iac n ASP 441 Ca 0.05 -1.39 -0.08 0.00 0.71 0.00 0.00 54.79 54.08 3iac n ASP 441 Cb 0.12 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 3iac n ASP 441 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iac n GLY 442 N 0.93 0.18 0.06 0.44 0.00 -0.72 -4.92 105.19 101.15 3iac n GLY 442 Ca 0.17 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.73 3iac n GLY 442 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iac n GLU 443 N -1.92 0.60 -4.03 1.61 1.02 0.61 -4.92 120.64 113.60 3iac n GLU 443 Ca -0.09 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 56.92 3iac n GLU 443 Cb 0.53 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 3iac n GLU 443 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3iac s ILE 444 N -3.42 0.18 0.31 -3.67 -4.36 -1.16 -4.97 121.20 104.11 3iac s ILE 444 Ca -0.04 -1.48 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 3iac s ILE 444 Cb 0.12 -1.14 -0.10 0.00 1.25 0.00 0.00 42.46 42.59 3iac s ILE 444 CO 0.85 -0.82 1.40 -2.84 0.24 0.00 0.00 174.94 173.77 3iac s PRO 445 N -3.18 4.27 -1.27 0.37 0.02 -1.26 -4.38 135.00 129.57 3iac s PRO 445 Ca 0.00 2.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 3iac s PRO 445 Cb 0.02 -3.06 0.16 0.00 0.02 0.00 0.00 34.50 31.64 3iac s PRO 445 CO -0.07 -0.36 1.76 -3.47 -0.33 0.00 0.00 177.00 174.53 3iac n ASP 446 N 1.35 5.06 -4.06 2.53 2.03 -1.26 -4.88 116.55 117.32 3iac n ASP 446 Ca 0.03 -3.05 -0.32 0.00 0.52 0.00 0.00 54.79 51.97 3iac n ASP 446 Cb 0.41 -1.52 -0.15 0.00 -0.72 0.00 0.00 41.12 39.13 3iac n ASP 446 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3iac s ASP 447 N 1.65 4.54 0.36 1.67 -1.08 -1.26 -5.01 116.67 117.55 3iac s ASP 447 Ca 0.41 -1.60 0.08 0.00 -0.52 0.00 0.00 52.55 50.92 3iac s ASP 447 Cb 0.06 -1.57 0.80 0.00 -1.46 0.00 0.00 42.92 40.74 3iac s ASP 447 CO 0.00 -0.24 1.90 -0.08 0.52 0.00 0.00 175.17 177.27 3iac h GLU 448 N 7.73 0.69 -0.19 4.34 4.81 -2.04 -0.29 114.58 129.63 3iac h GLU 448 Ca -0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3iac h GLU 448 Cb 1.04 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3iac h GLU 448 CO 0.48 0.45 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 3iac n ALA 449 N -2.44 1.55 0.00 2.92 0.00 -1.26 -0.66 120.51 120.62 3iac n ALA 449 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3iac n ALA 449 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3iac n ALA 449 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iac n LEU 451 N 0.07 0.00 -0.19 0.00 4.77 -0.12 -2.59 117.00 118.95 3iac n LEU 451 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3iac n LEU 451 Cb 0.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3iac n LEU 451 CO 0.00 0.00 0.87 0.77 -1.33 0.00 0.00 177.39 177.70 3iac h SER 452 N 0.00 0.84 0.00 -1.43 4.64 -1.12 -0.66 113.55 115.82 3iac h SER 452 Ca 0.00 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3iac h SER 452 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3iac h SER 452 CO 0.00 0.88 0.00 -1.14 -0.87 0.00 0.00 176.83 175.70 3iac n ARG 453 N -4.38 0.00 0.00 4.77 3.00 -1.07 -1.28 116.66 117.70 3iac n ARG 453 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3iac n ARG 453 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.72 3iac n ARG 453 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3iac n VAL 455 N 0.50 0.00 -0.11 5.15 0.31 -0.25 -0.80 118.33 123.13 3iac n VAL 455 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3iac n VAL 455 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 3iac n VAL 455 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3iac h GLN 456 N 0.00 0.81 -0.10 5.55 4.20 -1.46 -0.53 115.11 123.58 3iac h GLN 456 Ca 0.00 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3iac h GLN 456 Cb 0.00 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3iac h GLN 456 CO 0.00 0.87 0.05 -0.44 -0.67 0.00 0.00 178.83 178.65 3iac h ASP 457 N 0.74 0.13 -0.19 1.46 3.32 -1.21 -2.06 116.42 118.60 3iac h ASP 457 Ca 0.13 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3iac h ASP 457 Cb 0.58 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3iac h ASP 457 CO 0.04 0.18 -0.24 0.40 -1.72 0.00 0.00 179.24 177.89 3iac h ILE 458 N 0.07 1.27 0.00 0.35 2.04 -1.73 1.00 117.51 120.51 3iac h ILE 458 Ca 0.04 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 3iac h ILE 458 Cb 0.08 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3iac h ILE 458 CO -0.01 0.43 -0.18 0.00 0.00 0.00 0.00 178.15 178.40 3iac n PHE 460 N -3.27 -1.83 -0.13 0.00 7.35 -0.81 -4.66 117.46 114.10 3iac n PHE 460 Ca 0.01 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.65 3iac n PHE 460 Cb 0.46 0.37 0.03 0.00 0.35 0.00 0.00 39.48 40.69 3iac n PHE 460 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3iac h ASN 461 N 0.00 0.17 -0.44 -2.13 2.35 -1.15 -1.57 115.58 112.81 3iac h ASN 461 Ca 0.00 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3iac h ASN 461 Cb 0.00 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 3iac h ASN 461 CO 0.00 0.13 0.20 0.78 -1.65 0.00 0.00 177.43 176.89 3iac h ASN 462 N 0.32 0.27 -0.48 5.81 2.35 -1.07 -1.62 115.58 121.16 3iac h ASN 462 Ca 0.19 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 3iac h ASN 462 Cb 0.17 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3iac h ASN 462 CO -0.19 0.19 0.02 0.00 -1.65 0.00 0.00 177.43 175.80 3iac h ALA 463 N 1.25 0.65 -0.54 -0.83 0.00 -1.62 0.76 119.26 118.93 3iac h ALA 463 Ca 0.20 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iac h ALA 463 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3iac h ALA 463 CO -0.16 0.44 0.34 0.37 0.00 0.00 0.00 179.25 180.24 3iac h GLN 464 N 0.70 0.67 -0.12 0.00 4.15 -1.02 -1.11 115.11 118.39 3iac h GLN 464 Ca 0.14 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 3iac h GLN 464 Cb 0.48 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 3iac h GLN 464 CO 0.02 0.45 -0.12 0.00 -1.93 0.00 0.00 178.83 177.24 3iac h ARG 465 N 0.69 0.29 -0.94 1.69 3.08 -1.14 -3.12 114.38 114.94 3iac h ARG 465 Ca 0.21 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.17 3iac h ARG 465 Cb -0.03 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 3iac h ARG 465 CO -0.07 0.70 0.59 -0.92 -1.07 0.00 0.00 179.97 179.20 3iac h TYR 466 N -0.10 1.10 -0.01 3.04 3.20 -0.67 -1.75 116.97 121.78 3iac h TYR 466 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3iac h TYR 466 Cb 0.65 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3iac h TYR 466 CO 0.09 0.55 0.00 1.19 -1.64 0.00 0.00 178.16 178.35 3iac n PHE 467 N -4.57 0.00 -2.46 -3.82 3.72 -0.43 -4.84 117.46 105.06 3iac n PHE 467 Ca 0.14 -0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.13 3iac n PHE 467 Cb 0.19 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 3iac n PHE 467 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3iac s THR 468 N -2.00 3.70 -0.78 4.37 2.01 -0.66 -4.96 115.64 117.32 3iac s THR 468 Ca 0.43 1.49 -0.22 0.00 0.31 0.00 0.00 61.69 63.70 3iac s THR 468 Cb 0.21 -3.95 0.09 0.00 0.01 0.00 0.00 72.50 68.86 3iac s THR 468 CO 0.35 0.27 1.07 -0.63 -0.69 0.00 0.00 174.62 174.99 3iac s ILE 469 N -0.36 4.40 0.00 1.82 1.01 -1.26 -5.01 121.20 121.79 3iac s ILE 469 Ca 0.49 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3iac s ILE 469 Cb -0.31 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.41 3iac s ILE 469 CO 0.37 -1.53 0.00 0.29 0.00 0.00 0.00 174.94 174.07