#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iac s THR 3 N 0.00 3.58 -1.04 0.00 -4.23 -1.26 -5.20 115.64 107.50 3iac s THR 3 Ca 0.00 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3iac s THR 3 Cb 0.00 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 3iac s THR 3 CO 0.00 0.46 2.25 0.33 -0.54 0.00 0.00 174.62 177.12 3iac n PHE 4 N 4.07 1.58 -3.48 3.99 7.35 -1.26 -5.08 117.46 124.63 3iac n PHE 4 Ca -0.18 -2.16 -0.04 0.00 -0.76 0.00 0.00 57.45 54.31 3iac n PHE 4 Cb 0.52 -1.82 0.00 0.00 0.35 0.00 0.00 39.48 38.53 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 4.17 0.00 0.50 -2.13 -2.24 -1.26 -4.96 114.28 108.35 3iac n THR 6 Ca 0.51 -0.51 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 3iac n THR 6 Cb 0.16 0.40 0.38 0.00 -2.10 0.00 0.00 70.33 69.17 3iac n THR 6 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iac n GLU 7 N -0.21 0.07 -0.93 -0.78 -0.58 -1.26 -2.21 120.64 114.74 3iac n GLU 7 Ca -0.02 0.29 -0.02 0.00 -0.42 0.00 0.00 57.16 56.99 3iac n GLU 7 Cb 0.23 -1.62 0.31 0.00 -0.57 0.00 0.00 31.44 29.79 3iac n GLU 7 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3iac n ASP 8 N -1.75 4.76 -4.66 1.62 8.00 -1.26 -5.00 116.55 118.26 3iac n ASP 8 Ca 0.03 -3.19 -0.52 0.00 0.71 0.00 0.00 54.79 51.83 3iac n ASP 8 Cb 0.20 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.13 1.97 -0.79 1.24 7.35 -0.94 -0.81 117.46 125.36 3iac n PHE 9 Ca 0.36 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 3iac n PHE 9 Cb 1.29 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 38.64 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 4.29 0.51 -4.32 -2.13 4.77 -1.26 -4.94 117.00 113.93 3iac n LEU 10 Ca 0.21 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.74 3iac n LEU 10 Cb 0.21 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 3iac n LEU 10 CO 0.70 -0.30 0.12 -0.76 -1.33 0.00 0.00 177.39 175.82 3iac s LEU 11 N 0.00 6.08 -0.03 2.23 1.43 0.00 -4.68 118.68 123.72 3iac s LEU 11 Ca 0.00 -1.72 0.21 0.00 -1.03 0.00 0.00 54.13 51.58 3iac s LEU 11 Cb 0.00 -2.20 0.64 0.00 0.03 0.00 0.00 46.19 44.66 3iac s LEU 11 CO 0.00 -0.82 1.54 0.29 0.23 0.00 0.00 176.35 177.59 3iac n LYS 12 N 5.23 2.87 -3.65 1.70 5.02 -1.26 -4.88 118.16 123.18 3iac n LYS 12 Ca -0.14 -2.58 -0.10 0.00 -2.02 0.00 0.00 58.31 53.47 3iac n LYS 12 Cb 0.41 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.97 -0.23 0.33 4.39 2.20 -1.26 -5.07 114.94 114.34 3iac s ASN 13 Ca 0.47 -0.35 0.04 0.00 -0.94 0.00 0.00 52.86 52.08 3iac s ASN 13 Cb 0.26 0.48 0.59 0.00 -2.00 0.00 0.00 41.25 40.59 3iac s ASN 13 CO 0.30 -0.87 1.88 0.44 -2.94 0.00 0.00 177.10 175.91 3iac h ASP 14 N 2.35 0.54 -0.43 3.54 3.32 -1.95 -2.51 116.42 121.29 3iac h ASP 14 Ca -0.33 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3iac h ASP 14 Cb 1.26 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3iac h ASP 14 CO 0.46 0.57 0.10 0.40 -1.72 0.00 0.00 179.24 179.05 3iac h ILE 15 N 0.56 1.23 -1.00 0.35 2.04 -1.97 -2.32 117.51 116.40 3iac h ILE 15 Ca 0.12 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.20 3iac h ILE 15 Cb 0.28 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3iac h ILE 15 CO 0.00 0.29 0.66 0.00 0.00 0.00 0.00 178.15 179.10 3iac h ALA 16 N 0.96 1.34 -0.57 1.87 0.00 -1.69 0.06 119.26 121.23 3iac h ALA 16 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3iac h ALA 16 Cb 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3iac h ALA 16 CO 0.00 0.57 0.16 0.00 0.00 0.00 0.00 179.25 179.98 3iac h ARG 17 N 1.28 0.89 -0.09 0.00 3.08 -1.19 0.00 114.38 118.36 3iac h ARG 17 Ca 0.40 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3iac h ARG 17 Cb -0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 3iac h ARG 17 CO -0.12 0.82 -0.05 1.15 -1.07 0.00 0.00 179.97 180.70 3iac h THR 18 N 0.80 1.33 -0.29 2.04 2.02 -0.96 -0.84 112.91 117.01 3iac h THR 18 Ca 0.18 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 66.31 3iac h THR 18 Cb 0.31 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3iac h THR 18 CO -0.00 0.30 0.13 -0.07 0.37 0.00 0.00 175.52 176.25 3iac h LEU 19 N -0.19 0.19 0.68 2.58 3.38 -0.91 -0.52 115.31 120.53 3iac h LEU 19 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3iac h LEU 19 Cb 0.50 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3iac h LEU 19 CO 0.01 0.15 -0.33 0.22 0.09 0.00 0.00 178.44 178.58 3iac h TYR 20 N 0.28 -0.85 -0.42 1.13 3.20 -0.99 -0.29 116.97 119.04 3iac h TYR 20 Ca 0.12 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3iac h TYR 20 Cb 0.05 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3iac h TYR 20 CO -0.11 -0.53 -0.08 0.45 -1.64 0.00 0.00 178.16 176.26 3iac h HIS 21 N -1.20 0.78 0.09 -3.82 3.86 -1.19 0.11 115.15 113.78 3iac h HIS 21 Ca -0.09 -0.13 -0.33 0.00 -1.16 0.00 0.00 60.37 58.66 3iac h HIS 21 Cb 0.70 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3iac h HIS 21 CO 0.01 0.77 -1.77 -0.22 0.86 0.00 0.00 177.93 177.58 3iac h LYS 22 N 0.66 0.20 0.00 2.45 3.64 -1.21 -3.42 116.57 118.89 3iac h LYS 22 Ca 0.12 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 3iac h LYS 22 Cb 0.52 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3iac h LYS 22 CO 0.03 1.01 -1.41 0.66 -2.27 0.00 0.00 179.45 177.46 3iac n TYR 23 N -3.37 0.00 -0.04 1.91 4.01 -0.70 -4.77 117.16 114.20 3iac n TYR 23 Ca -0.23 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.40 3iac n TYR 23 Cb 1.05 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 39.71 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 -0.06 -0.04 -0.67 -0.72 0.00 -0.64 -3.38 119.26 113.76 3iac h ALA 24 Ca -0.17 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.52 3iac h ALA 24 Cb 1.23 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 3iac h ALA 24 CO -0.04 -0.08 0.22 0.00 0.00 0.00 0.00 179.25 179.35 3iac h ALA 25 N -0.19 0.87 -0.67 0.00 0.00 -1.05 -3.46 119.26 114.77 3iac h ALA 25 Ca -0.00 0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 3iac h ALA 25 Cb 0.69 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3iac h ALA 25 CO 0.01 -0.24 0.92 -2.14 0.00 0.00 0.00 179.25 177.80 3iac s PRO 26 N -6.07 2.64 0.43 0.00 0.02 -1.26 -5.10 135.00 125.66 3iac s PRO 26 Ca -0.13 -0.64 0.07 0.00 0.02 0.00 0.00 61.00 60.32 3iac s PRO 26 Cb 0.19 -5.15 -0.05 0.00 0.02 0.00 0.00 34.50 29.51 3iac s PRO 26 CO 0.75 -3.45 0.13 -1.25 -0.33 0.00 0.00 177.00 172.85 3iac s PRO 28 N 6.65 2.15 -0.13 5.54 0.04 -1.26 -5.13 135.00 142.86 3iac s PRO 28 Ca 0.68 -1.97 -0.02 0.00 0.04 0.00 0.00 61.00 59.72 3iac s PRO 28 Cb -0.04 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3iac s PRO 28 CO 0.03 -0.15 -0.06 0.42 0.04 0.00 0.00 177.00 177.28 3iac s ILE 29 N -2.66 3.69 -0.66 0.56 1.01 0.27 -4.70 121.20 118.72 3iac s ILE 29 Ca 0.36 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 3iac s ILE 29 Cb 0.05 -2.58 0.17 0.00 0.01 0.00 0.00 42.46 40.11 3iac s ILE 29 CO 0.20 0.53 0.47 -0.47 0.00 0.00 0.00 174.94 175.66 3iac s TYR 30 N 0.07 3.44 -1.26 3.97 6.14 -1.26 -1.45 117.35 127.00 3iac s TYR 30 Ca -0.02 -2.83 -0.14 0.00 0.64 0.00 0.00 57.07 54.73 3iac s TYR 30 Cb -0.14 -3.15 0.14 0.00 0.42 0.00 0.00 41.96 39.23 3iac s TYR 30 CO 0.03 -0.80 1.66 -3.47 0.64 0.00 0.00 175.55 173.60 3iac n ASP 31 N 3.22 5.04 0.00 4.32 2.03 -1.26 -4.82 116.55 125.08 3iac n ASP 31 Ca 0.10 -2.99 0.04 0.00 0.52 0.00 0.00 54.79 52.46 3iac n ASP 31 Cb 0.37 -1.59 0.19 0.00 -0.72 0.00 0.00 41.12 39.37 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 5.78 0.00 -3.54 -0.67 1.16 -1.26 -1.33 117.46 117.60 3iac n PHE 32 Ca 0.41 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.89 3iac n PHE 32 Cb 0.42 -0.39 -0.10 0.00 -1.61 0.00 0.00 39.48 37.79 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 -2.79 -0.73 0.36 2.97 5.04 -1.24 -4.14 115.29 114.77 3iac s HIS 33 Ca 0.06 1.13 -0.06 0.00 -1.54 0.00 0.00 55.06 54.64 3iac s HIS 33 Cb 0.06 0.12 0.02 0.00 0.04 0.00 0.00 32.58 32.81 3iac s HIS 33 CO 0.14 -0.55 0.57 0.00 -2.34 0.00 0.00 174.74 172.55 3iac n HIS 35 N -0.56 0.79 -2.41 0.00 8.25 0.80 -2.22 115.22 119.88 3iac n HIS 35 Ca -0.02 -1.54 -0.36 0.00 -0.26 0.00 0.00 57.72 55.54 3iac n HIS 35 Cb 0.61 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 -2.73 3.98 -0.20 2.41 1.43 -1.14 -4.13 118.68 118.29 3iac s LEU 36 Ca 0.39 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 3iac s LEU 36 Cb 0.38 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 3iac s LEU 36 CO -0.06 -0.80 1.38 -0.55 0.23 0.00 0.00 176.35 176.55 3iac s SER 37 N -1.62 6.74 0.35 2.29 0.15 -1.26 -4.76 113.70 115.58 3iac s SER 37 Ca 0.64 1.61 0.02 0.00 0.70 0.00 0.00 55.95 58.92 3iac s SER 37 Cb -0.23 -2.54 0.63 0.00 -1.71 0.00 0.00 66.02 62.17 3iac s SER 37 CO 0.28 -0.96 2.01 -0.65 1.20 0.00 0.00 173.24 175.12 3iac h PRO 38 N 9.10 0.85 -0.93 5.44 0.11 -1.98 -1.99 132.00 142.61 3iac h PRO 38 Ca -0.29 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3iac h PRO 38 Cb 1.12 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3iac h PRO 38 CO 0.99 0.56 0.57 0.37 -0.21 0.00 0.00 178.00 180.29 3iac h GLN 39 N 0.88 1.25 -0.15 1.05 4.15 -1.93 0.11 115.11 120.46 3iac h GLN 39 Ca 0.24 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 3iac h GLN 39 Cb -0.09 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.32 3iac h GLN 39 CO -0.05 0.86 -0.27 0.93 -1.93 0.00 0.00 178.83 178.37 3iac h GLU 40 N 1.27 0.29 -0.07 1.69 5.08 -1.78 0.76 114.58 121.82 3iac h GLU 40 Ca 0.33 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3iac h GLU 40 Cb -0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3iac h GLU 40 CO -0.07 0.54 -0.19 0.82 -1.00 0.00 0.00 179.01 179.12 3iac h ILE 41 N 0.26 1.43 -0.34 3.13 2.04 -0.96 -0.51 117.51 122.56 3iac h ILE 41 Ca 0.04 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3iac h ILE 41 Cb 0.62 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 3iac h ILE 41 CO 0.04 0.44 0.17 0.00 0.00 0.00 0.00 178.15 178.80 3iac h ALA 42 N 0.45 0.44 0.00 1.87 0.00 -0.54 -2.01 119.26 119.47 3iac h ALA 42 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iac h ALA 42 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iac h ALA 42 CO 0.04 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 3iac n ASP 43 N -4.76 0.00 -3.38 0.00 8.00 0.24 -4.94 116.55 111.71 3iac n ASP 43 Ca -0.01 0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.40 3iac n ASP 43 Cb 0.10 -0.37 0.05 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.37 -6.34 -4.67 -2.24 2.03 -0.52 -4.84 116.55 98.60 3iac n ASP 44 Ca 0.11 -0.72 -0.45 0.00 0.52 0.00 0.00 54.79 54.25 3iac n ASP 44 Cb 0.28 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 36.16 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 -3.28 2.14 -3.65 -0.67 0.63 -0.31 -4.51 116.66 107.01 3iac n ARG 45 Ca -0.08 0.77 -0.38 0.00 -0.92 0.00 0.00 57.85 57.24 3iac n ARG 45 Cb 0.59 -2.50 -0.12 0.00 0.45 0.00 0.00 32.46 30.88 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 0.42 3.49 0.30 -0.14 6.06 -1.26 -0.68 118.95 127.14 3iac s ARG 46 Ca 0.75 -0.61 -0.26 0.00 -2.50 0.00 0.00 55.73 53.10 3iac s ARG 46 Cb -0.66 -3.56 -0.10 0.00 0.06 0.00 0.00 34.95 30.70 3iac s ARG 46 CO 0.42 -0.35 0.92 -0.06 -2.50 0.00 0.00 175.30 173.74 3iac s PHE 47 N 1.64 3.72 0.13 5.12 0.08 -1.26 -4.98 117.98 122.44 3iac s PHE 47 Ca 0.05 1.76 -0.07 0.00 0.12 0.00 0.00 56.93 58.79 3iac s PHE 47 Cb -0.17 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.32 3iac s PHE 47 CO 0.07 0.25 1.35 -0.44 -0.10 0.00 0.00 175.22 176.35 3iac h ASP 48 N 3.31 0.72 -5.07 1.36 3.32 -1.97 -3.41 116.42 114.67 3iac h ASP 48 Ca -0.47 -0.49 0.02 0.00 0.02 0.00 0.00 57.03 56.12 3iac h ASP 48 Cb 1.19 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 3iac h ASP 48 CO 0.65 1.26 0.14 0.54 -1.72 0.00 0.00 179.24 180.11 3iac s ASN 49 N -7.06 -0.17 0.29 6.45 2.20 -1.26 -4.93 114.94 110.46 3iac s ASN 49 Ca -0.08 -0.76 -0.00 0.00 -0.94 0.00 0.00 52.86 51.08 3iac s ASN 49 Cb 0.09 0.70 0.43 0.00 -2.00 0.00 0.00 41.25 40.47 3iac s ASN 49 CO 0.88 -1.32 1.83 0.25 -2.94 0.00 0.00 177.10 175.79 3iac h LEU 50 N 2.07 0.72 -0.37 3.54 5.85 -1.89 -2.84 115.31 122.39 3iac h LEU 50 Ca -0.22 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3iac h LEU 50 Cb 1.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3iac h LEU 50 CO 0.28 0.73 0.23 1.23 -0.34 0.00 0.00 178.44 180.57 3iac h GLY 51 N 0.94 0.52 0.85 3.75 0.00 -1.97 -1.59 103.07 105.58 3iac h GLY 51 Ca 0.16 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3iac h GLY 51 CO 0.00 0.21 -0.09 -1.61 0.00 0.00 0.00 176.54 175.04 3iac h GLN 52 N 0.48 -0.19 0.00 4.80 4.15 -1.84 0.80 115.11 123.31 3iac h GLN 52 Ca 0.13 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3iac h GLN 52 Cb -0.01 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 3iac h GLN 52 CO -0.03 -0.13 -0.10 0.97 -1.93 0.00 0.00 178.83 177.62 3iac h ILE 53 N -0.20 0.23 0.02 2.39 2.10 -1.41 -3.35 117.51 117.28 3iac h ILE 53 Ca 0.01 -0.87 -0.40 0.00 1.08 0.00 0.00 64.86 64.69 3iac h ILE 53 Cb 0.20 1.71 -0.06 0.00 -1.09 0.00 0.00 36.82 37.59 3iac h ILE 53 CO -0.04 0.10 -2.38 1.87 -1.08 0.00 0.00 178.15 176.61 3iac n TRP 54 N -3.20 0.21 0.18 2.19 -0.00 -0.61 -4.73 117.44 111.48 3iac n TRP 54 Ca 0.01 0.05 -0.13 0.00 -0.00 0.00 0.00 57.50 57.43 3iac n TRP 54 Cb 0.40 -1.03 -0.08 0.00 -0.00 0.00 0.00 31.31 30.61 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 -0.23 -0.40 -0.92 5.87 3.38 -0.97 -2.44 115.31 119.59 3iac h LEU 55 Ca -0.58 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 57.43 3iac h LEU 55 Cb 1.84 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 42.52 3iac h LEU 55 CO -0.14 -0.04 -0.23 -0.62 0.09 0.00 0.00 178.44 177.50 3iac n GLU 56 N -5.16 -0.09 0.00 1.13 1.02 -1.26 -4.69 120.64 111.59 3iac n GLU 56 Ca -0.10 1.43 0.00 0.00 -0.02 0.00 0.00 57.16 58.47 3iac n GLU 56 Cb 0.27 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 3iac n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iac n GLY 57 N -1.57 2.62 1.30 0.62 0.00 -0.92 -0.28 105.19 106.95 3iac n GLY 57 Ca 0.14 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 2.49 3.14 -0.07 1.61 8.00 -1.26 -4.52 116.55 125.94 3iac n ASP 58 Ca 0.00 -3.76 -0.01 0.00 0.71 0.00 0.00 54.79 51.73 3iac n ASP 58 Cb 0.00 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.89 0.00 0.07 1.24 8.25 0.61 -4.87 115.22 119.62 3iac n HIS 59 Ca 0.30 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.57 3iac n HIS 59 Cb 0.83 -0.87 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 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 0.86 -0.52 4.41 -1.99 -1.91 -2.71 116.97 115.11 3iac h TYR 60 Ca -0.02 -0.50 -0.04 0.00 2.00 0.00 0.00 58.73 60.17 3iac h TYR 60 Cb 0.40 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 3iac h TYR 60 CO 0.24 1.34 0.19 0.87 -0.00 0.00 0.00 178.16 180.80 3iac h LYS 61 N 0.28 0.80 -0.48 4.88 1.57 -1.85 -1.69 116.57 120.08 3iac h LYS 61 Ca -0.13 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3iac h LYS 61 Cb 1.75 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.89 3iac h LYS 61 CO 0.20 0.72 0.20 -1.49 -0.57 0.00 0.00 179.45 178.51 3iac h TRP 62 N 0.71 0.36 -0.64 -1.35 6.55 -1.82 0.25 115.95 120.01 3iac h TRP 62 Ca 0.17 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 60.02 3iac h TRP 62 Cb 0.24 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.42 3iac h TRP 62 CO 0.01 0.15 0.34 -0.09 -1.05 0.00 0.00 178.44 177.80 3iac h ARG 63 N 0.40 0.90 -0.42 0.49 2.43 -1.29 -0.68 114.38 116.21 3iac h ARG 63 Ca 0.22 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3iac h ARG 63 Cb 0.20 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3iac h ARG 63 CO -0.20 0.69 0.13 0.00 -1.51 0.00 0.00 179.97 179.08 3iac h ALA 64 N 1.16 0.54 -0.45 2.80 0.00 -0.39 -1.29 119.26 121.64 3iac h ALA 64 Ca 0.22 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3iac h ALA 64 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3iac h ALA 64 CO -0.03 0.19 0.28 -0.07 0.00 0.00 0.00 179.25 179.62 3iac h LEU 65 N 0.53 0.48 -0.57 0.00 3.38 -0.33 -1.38 115.31 117.42 3iac h LEU 65 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3iac h LEU 65 Cb 0.26 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3iac h LEU 65 CO -0.00 0.34 0.29 0.03 0.09 0.00 0.00 178.44 179.19 3iac h ARG 66 N 0.57 0.80 -0.42 1.13 3.08 -0.97 -1.95 114.38 116.62 3iac h ARG 66 Ca 0.17 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3iac h ARG 66 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3iac h ARG 66 CO -0.06 0.64 0.28 0.77 -1.07 0.00 0.00 179.97 180.53 3iac h SER 67 N 0.77 0.48 0.09 7.04 0.02 -0.95 -1.28 113.55 119.72 3iac h SER 67 Ca 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3iac h SER 67 Cb 0.08 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3iac h SER 67 CO -0.03 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 3iac n ALA 68 N -2.47 2.63 -0.67 3.77 0.00 -0.54 -4.90 120.51 118.32 3iac n ALA 68 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3iac n ALA 68 Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.01 0.63 3.76 0.00 0.00 -0.48 -5.04 105.19 105.06 3iac n GLY 69 Ca 0.22 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 3.34 0.40 1.61 1.01 -0.79 -4.98 120.40 119.00 3iac s VAL 70 Ca 0.00 1.35 -0.27 0.00 0.00 0.00 0.00 61.98 63.06 3iac s VAL 70 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3iac s VAL 70 CO 0.00 0.32 1.36 -0.62 0.00 0.00 0.00 175.10 176.16 3iac s ASP 71 N -0.78 6.30 0.55 3.32 -1.08 -1.26 -4.59 116.67 119.12 3iac s ASP 71 Ca 0.45 2.79 0.23 0.00 -0.52 0.00 0.00 52.55 55.50 3iac s ASP 71 Cb -0.33 -2.65 1.46 0.00 -1.46 0.00 0.00 42.92 39.93 3iac s ASP 71 CO 0.43 -0.87 2.12 -0.08 0.52 0.00 0.00 175.17 177.28 3iac h GLU 72 N 2.77 0.00 -0.12 4.34 4.57 -1.97 -1.31 114.58 122.86 3iac h GLU 72 Ca -0.50 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 3iac h GLU 72 Cb 1.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3iac h GLU 72 CO 0.63 0.00 0.09 0.66 -1.18 0.00 0.00 179.01 179.21 3iac h SER 73 N 0.00 0.00 -0.33 1.04 4.64 -1.96 -0.12 113.55 116.82 3iac h SER 73 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3iac h SER 73 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 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 -4.41 2.25 0.00 5.97 4.77 -0.49 -3.00 117.00 122.09 3iac n LEU 74 Ca -0.00 -1.04 -0.03 0.00 -0.03 0.00 0.00 56.01 54.91 3iac n LEU 74 Cb 0.21 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3iac n LEU 74 CO 0.34 0.52 -0.19 -0.38 -1.33 0.00 0.00 177.39 176.35 3iac n ILE 75 N 0.71 1.10 0.09 -0.08 5.41 -0.16 -4.54 119.36 121.90 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 0.39 -1.73 0.01 0.00 -0.71 0.00 0.00 39.64 37.59 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 -3.60 0.00 -1.82 1.39 -2.24 -0.60 -4.97 114.28 102.44 3iac n THR 76 Ca -0.04 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 3iac n THR 76 Cb 0.15 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 3iac n THR 76 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iac s GLY 77 N -0.33 1.63 0.55 3.38 0.00 -1.16 -4.88 107.32 106.51 3iac s GLY 77 Ca 0.02 1.50 0.33 0.00 0.00 0.00 0.00 44.72 46.58 3iac s GLY 77 CO 0.04 2.67 2.02 0.50 0.00 0.00 0.00 173.10 178.33 3iac h LYS 78 N 6.16 0.00 0.00 2.90 1.79 -1.95 -3.14 116.57 122.33 3iac h LYS 78 Ca -0.44 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.97 3iac h LYS 78 Cb 1.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 3iac h LYS 78 CO 0.89 0.03 -0.28 1.05 -1.08 0.00 0.00 179.45 180.06 3iac h GLU 79 N 0.00 0.00 -6.00 3.15 4.11 -1.89 -3.46 114.58 110.49 3iac h GLU 79 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 3iac h GLU 79 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3iac h GLU 79 CO 0.00 0.28 -0.53 0.95 0.07 0.00 0.00 179.01 179.79 3iac s THR 80 N -3.20 5.13 0.68 -1.06 -4.23 -1.19 -5.10 115.64 106.67 3iac s THR 80 Ca 0.04 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.91 3iac s THR 80 Cb 0.07 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.41 3iac s THR 80 CO 0.69 0.11 1.06 -0.94 -0.54 0.00 0.00 174.62 175.01 3iac s SER 81 N -2.55 5.56 0.26 3.99 1.04 -1.26 -4.87 113.70 115.87 3iac s SER 81 Ca 0.33 1.11 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 3iac s SER 81 Cb -0.13 -1.96 0.35 0.00 0.10 0.00 0.00 66.02 64.38 3iac s SER 81 CO 0.26 -1.25 1.89 0.44 0.98 0.00 0.00 173.24 175.57 3iac h ASP 82 N -0.55 1.03 -0.48 7.02 3.32 -1.99 -0.34 116.42 124.44 3iac h ASP 82 Ca -0.45 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 3iac h ASP 82 Cb 1.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3iac h ASP 82 CO 0.63 0.69 -0.23 0.22 -1.72 0.00 0.00 179.24 178.83 3iac h TYR 83 N 1.19 1.15 -0.13 4.55 3.20 -1.99 -0.53 116.97 124.42 3iac h TYR 83 Ca 0.40 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3iac h TYR 83 Cb 0.08 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3iac h TYR 83 CO -0.01 1.12 -0.03 0.93 -1.64 0.00 0.00 178.16 178.53 3iac h GLU 84 N 0.85 -0.00 -0.66 1.82 5.08 -1.75 -2.60 114.58 117.32 3iac h GLU 84 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3iac h GLU 84 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3iac h GLU 84 CO 0.07 -0.00 0.34 0.87 -1.00 0.00 0.00 179.01 179.29 3iac h LYS 85 N -0.00 0.93 -1.32 2.33 1.57 -0.97 -2.11 116.57 117.00 3iac h LYS 85 Ca 0.06 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3iac h LYS 85 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3iac h LYS 85 CO -0.13 0.72 0.00 0.98 -0.57 0.00 0.00 179.45 180.45 3iac n TYR 86 N -4.51 0.00 0.00 -1.35 4.19 -0.22 -1.81 117.16 113.46 3iac n TYR 86 Ca 0.05 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.25 3iac n TYR 86 Cb 0.10 -0.07 0.00 0.00 0.49 0.00 0.00 39.34 39.86 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 0.82 0.00 -0.19 2.98 0.00 -0.80 -0.65 120.51 122.67 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 0.01 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 1.01 -0.92 0.00 -0.00 -1.64 -2.44 115.95 111.96 3iac h TRP 89 Ca 0.00 -0.17 0.03 0.00 -0.00 0.00 0.00 58.89 58.75 3iac h TRP 89 Cb 0.00 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 28.84 3iac h TRP 89 CO 0.00 0.92 0.60 0.00 -0.00 0.00 0.00 178.44 179.97 3iac h ALA 90 N 0.95 1.41 0.00 2.65 0.00 -1.16 -0.37 119.26 122.75 3iac h ALA 90 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iac h ALA 90 Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3iac h ALA 90 CO 0.02 0.50 0.00 -0.91 0.00 0.00 0.00 179.25 178.87 3iac h ASN 91 N 1.16 0.00 0.17 0.00 2.35 -1.78 -3.21 115.58 114.27 3iac h ASN 91 Ca 0.36 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.77 3iac h ASN 91 Cb 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3iac h ASN 91 CO -0.11 0.00 -2.15 0.41 -1.65 0.00 0.00 177.43 173.93 3iac n THR 92 N -2.73 1.49 -0.29 2.81 -1.04 -0.50 -4.48 114.28 109.54 3iac n THR 92 Ca 0.03 -0.81 0.13 0.00 -2.04 0.00 0.00 64.05 61.36 3iac n THR 92 Cb 0.37 -0.78 0.38 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.00 0.78 0.00 12.58 2.07 -1.19 0.92 116.25 131.42 3iac h VAL 93 Ca -0.46 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3iac h VAL 93 Cb 2.14 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3iac h VAL 93 CO 0.04 0.13 0.00 -2.65 0.02 0.00 0.00 177.57 175.11 3iac n PRO 94 N -4.60 0.11 -0.05 1.57 -0.02 -1.26 -1.63 135.00 129.12 3iac n PRO 94 Ca 0.19 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3iac n PRO 94 Cb 0.53 -1.77 0.32 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.98 2.02 -0.60 -0.52 5.02 0.32 -4.39 118.16 118.02 3iac n LYS 95 Ca 0.01 -1.50 0.09 0.00 -2.02 0.00 0.00 58.31 54.89 3iac n LYS 95 Cb 0.12 -1.46 0.33 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.77 1.99 -1.70 -0.18 -2.24 -0.65 -5.00 114.28 107.28 3iac n THR 96 Ca 0.17 -1.32 -0.44 0.00 -2.27 0.00 0.00 64.05 60.19 3iac n THR 96 Cb 0.46 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.74 3.63 0.00 3.22 4.77 -1.26 -1.08 117.00 127.02 3iac n LEU 97 Ca 0.24 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 3iac n LEU 97 Cb 0.90 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3iac n LEU 97 CO 0.23 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 3iac n GLY 98 N 2.63 3.11 3.80 -0.72 0.00 -1.26 -5.04 105.19 107.71 3iac n GLY 98 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 0.52 7.16 0.61 1.61 3.84 -0.24 -4.95 114.94 123.49 3iac s ASN 99 Ca 0.00 1.49 0.41 0.00 0.21 0.00 0.00 52.86 54.97 3iac s ASN 99 Cb 0.00 -2.45 2.24 0.00 -0.55 0.00 0.00 41.25 40.49 3iac s ASN 99 CO 0.00 0.09 2.26 1.55 -2.79 0.00 0.00 177.10 178.21 3iac h PRO 100 N 3.70 0.00 -0.64 0.43 0.13 -1.96 -1.89 132.00 131.77 3iac h PRO 100 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 3iac h PRO 100 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3iac h PRO 100 CO 0.65 0.00 0.43 -0.07 -0.23 0.00 0.00 178.00 178.78 3iac h LEU 101 N 0.00 0.31 -0.66 1.56 3.38 -1.92 0.18 115.31 118.15 3iac h LEU 101 Ca 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3iac h LEU 101 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3iac h LEU 101 CO 0.00 0.18 -0.37 0.22 0.09 0.00 0.00 178.44 178.55 3iac h TYR 102 N 0.34 0.73 0.07 1.13 3.20 -1.52 -1.71 116.97 119.22 3iac h TYR 102 Ca 0.30 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3iac h TYR 102 Cb 0.72 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3iac h TYR 102 CO -0.00 0.90 -0.03 0.45 -1.64 0.00 0.00 178.16 177.84 3iac h HIS 103 N 0.51 -0.09 -0.56 -3.82 3.86 -1.20 -3.17 115.15 110.69 3iac h HIS 103 Ca 0.05 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.37 3iac h HIS 103 Cb 0.88 0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.29 3iac h HIS 103 CO 0.04 0.48 0.05 -1.49 0.86 0.00 0.00 177.93 177.87 3iac h TRP 104 N -0.77 0.06 -0.56 2.45 6.55 -0.72 0.08 115.95 123.05 3iac h TRP 104 Ca -0.01 0.04 0.10 0.00 0.95 0.00 0.00 58.89 59.97 3iac h TRP 104 Cb 0.60 0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 28.88 3iac h TRP 104 CO 0.13 -0.09 0.11 1.15 -1.05 0.00 0.00 178.44 178.69 3iac h THR 105 N 0.17 0.67 0.08 1.49 2.02 -1.40 0.66 112.91 116.60 3iac h THR 105 Ca 0.29 -0.08 -0.25 0.00 0.77 0.00 0.00 66.41 67.14 3iac h THR 105 Cb 0.44 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3iac h THR 105 CO -0.43 0.04 -1.14 0.45 0.37 0.00 0.00 175.52 174.82 3iac h HIS 106 N 0.24 0.31 -0.61 3.16 3.86 -1.33 -2.21 115.15 118.58 3iac h HIS 106 Ca 0.29 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3iac h HIS 106 Cb 0.41 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3iac h HIS 106 CO -0.24 1.17 0.29 -0.07 0.86 0.00 0.00 177.93 179.94 3iac h LEU 107 N 0.05 0.79 -0.48 2.43 3.38 -0.67 -2.29 115.31 118.53 3iac h LEU 107 Ca -0.09 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 3iac h LEU 107 Cb 1.88 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3iac h LEU 107 CO 0.17 0.70 -0.32 -0.33 0.09 0.00 0.00 178.44 178.75 3iac h GLU 108 N 0.83 0.91 -0.11 1.13 5.08 -0.85 0.09 114.58 121.67 3iac h GLU 108 Ca 0.21 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3iac h GLU 108 Cb 0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3iac h GLU 108 CO -0.03 1.09 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.78 3iac h LEU 109 N 0.76 0.18 -0.04 1.33 3.38 -1.38 -3.08 115.31 116.47 3iac h LEU 109 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3iac h LEU 109 Cb 0.90 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3iac h LEU 109 CO 0.08 0.42 -0.08 -0.09 0.09 0.00 0.00 178.44 178.86 3iac h ARG 110 N 0.18 0.12 -3.68 1.13 2.43 -0.98 0.18 114.38 113.75 3iac h ARG 110 Ca 0.03 -0.08 -0.38 0.00 -0.81 0.00 0.00 59.98 58.74 3iac h ARG 110 Cb 0.50 0.01 -0.36 0.00 -0.42 0.00 0.00 29.97 29.70 3iac h ARG 110 CO 0.03 0.68 -0.75 1.03 -1.51 0.00 0.00 179.97 179.45 3iac s ARG 111 N -3.87 0.39 0.00 0.20 0.52 -0.02 -0.40 118.95 115.77 3iac s ARG 111 Ca -0.16 0.11 0.27 0.00 -0.52 0.00 0.00 55.73 55.44 3iac s ARG 111 Cb 0.02 -0.66 0.98 0.00 0.52 0.00 0.00 34.95 35.80 3iac s ARG 111 CO 0.71 -0.21 1.71 -0.35 0.02 0.00 0.00 175.30 177.18 3iac n PRO 112 N 4.59 0.47 0.15 3.54 -0.04 -1.18 -4.10 135.00 138.43 3iac n PRO 112 Ca -0.17 -0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.21 3iac n PRO 112 Cb 0.50 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.96 3iac n PRO 112 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3iac h PHE 113 N 0.49 0.00 -0.47 0.54 0.04 -1.61 -3.47 116.94 112.46 3iac h PHE 113 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 3iac h PHE 113 Cb 0.44 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.53 3iac h PHE 113 CO 0.00 0.00 -0.16 0.41 -0.60 0.00 0.00 178.31 177.96 3iac n GLY 114 N 0.29 0.91 3.61 -1.45 0.00 0.46 -4.94 105.19 104.08 3iac n GLY 114 Ca 0.03 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.32 5.20 0.20 -0.61 1.01 0.55 -4.94 121.20 120.29 3iac s ILE 115 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.18 3iac s ILE 115 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3iac s ILE 115 CO 0.00 0.18 0.02 0.42 0.00 0.00 0.00 174.94 175.56 3iac s THR 116 N 1.97 0.66 -1.83 2.92 -4.23 -1.26 -2.88 115.64 111.00 3iac s THR 116 Ca 0.14 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3iac s THR 116 Cb -0.16 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3iac s THR 116 CO 0.10 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3iac n GLY 117 N -0.30 -0.01 2.81 3.99 0.00 -1.26 -4.97 105.19 105.44 3iac n GLY 117 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3iac n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iac s THR 118 N -2.96 0.10 -0.02 2.61 2.01 -1.26 -5.13 115.64 110.99 3iac s THR 118 Ca 0.00 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 3iac s THR 118 Cb 0.00 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 3iac s THR 118 CO 0.00 0.12 0.56 -0.76 -0.69 0.00 0.00 174.62 173.85 3iac s LEU 119 N 0.98 4.40 -0.00 4.42 1.43 -1.26 -5.05 118.68 123.61 3iac s LEU 119 Ca -0.09 1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 3iac s LEU 119 Cb -0.13 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 3iac s LEU 119 CO -0.02 0.11 0.99 0.12 0.23 0.00 0.00 176.35 177.78 3iac s PHE 120 N -0.18 3.64 -0.99 0.29 5.36 -1.26 -4.64 117.98 120.21 3iac s PHE 120 Ca 0.29 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 3iac s PHE 120 Cb -0.18 -3.14 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 3iac s PHE 120 CO 0.16 -0.07 0.00 0.41 -1.46 0.00 0.00 175.22 174.26 3iac n GLY 121 N 2.92 -1.33 0.26 13.12 0.00 -1.26 -4.53 105.19 114.38 3iac n GLY 121 Ca 0.06 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 0.26 0.00 1.61 0.11 -1.93 -0.01 132.00 132.04 3iac h PRO 122 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3iac h PRO 122 Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 3iac h PRO 122 CO 0.00 0.17 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.37 3iac h ASP 123 N 0.26 0.00 0.00 -2.05 3.32 -1.93 -3.28 116.42 112.74 3iac h ASP 123 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3iac h ASP 123 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3iac h ASP 123 CO -0.50 0.15 -0.45 0.35 -1.72 0.00 0.00 179.24 177.07 3iac n THR 124 N -3.58 0.00 -0.32 0.35 -2.24 -0.78 -4.77 114.28 102.95 3iac n THR 124 Ca -0.01 -0.32 0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3iac n THR 124 Cb 0.29 0.91 0.22 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.92 1.47 0.26 6.98 0.00 -1.08 -2.28 119.26 125.53 3iac h ALA 125 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3iac h ALA 125 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iac h ALA 125 CO 0.00 0.40 -0.12 1.49 0.00 0.00 0.00 179.25 181.02 3iac h GLU 126 N 1.08 -0.33 -0.38 0.00 4.81 -1.86 0.98 114.58 118.87 3iac h GLU 126 Ca 0.39 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3iac h GLU 126 Cb 0.15 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3iac h GLU 126 CO -0.14 -0.16 0.18 1.03 -0.73 0.00 0.00 179.01 179.19 3iac h SER 127 N -0.43 0.50 -0.80 1.04 0.87 -1.87 -2.03 113.55 110.82 3iac h SER 127 Ca -0.04 -0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3iac h SER 127 Cb 0.33 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 3iac h SER 127 CO 0.06 0.48 0.51 0.40 -0.53 0.00 0.00 176.83 177.76 3iac h ILE 128 N 0.48 1.13 0.11 2.23 2.04 -1.30 -1.12 117.51 121.07 3iac h ILE 128 Ca 0.13 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3iac h ILE 128 Cb 0.12 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3iac h ILE 128 CO -0.02 0.18 -0.25 -0.25 0.00 0.00 0.00 178.15 177.82 3iac h TRP 129 N 1.01 -0.67 -0.66 1.37 2.91 -0.31 -0.95 115.95 118.64 3iac h TRP 129 Ca 0.32 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.34 3iac h TRP 129 Cb -0.00 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 3iac h TRP 129 CO -0.03 -0.35 0.35 1.15 -1.03 0.00 0.00 178.44 178.53 3iac h THR 130 N -0.45 1.21 -0.22 2.65 2.02 -1.06 -0.59 112.91 116.46 3iac h THR 130 Ca 0.03 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3iac h THR 130 Cb 0.48 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3iac h THR 130 CO -0.15 0.23 0.03 1.56 0.37 0.00 0.00 175.52 177.56 3iac h GLN 131 N 0.91 0.38 -0.44 6.66 4.20 -1.04 -2.44 115.11 123.33 3iac h GLN 131 Ca 0.23 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3iac h GLN 131 Cb 0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3iac h GLN 131 CO -0.04 0.53 -0.11 0.00 -0.67 0.00 0.00 178.83 178.54 3iac h ASN 133 N 0.71 1.09 -0.62 0.00 2.35 -0.96 0.80 115.58 118.95 3iac h ASN 133 Ca 0.12 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3iac h ASN 133 Cb 0.60 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3iac h ASN 133 CO 0.04 0.85 0.24 -0.33 -1.65 0.00 0.00 177.43 176.58 3iac h GLU 134 N 1.24 0.93 -0.47 0.81 5.08 -1.33 -2.77 114.58 118.06 3iac h GLU 134 Ca 0.32 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3iac h GLU 134 Cb -0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3iac h GLU 134 CO -0.06 0.79 -0.12 0.87 -1.00 0.00 0.00 179.01 179.49 3iac h LYS 135 N 0.86 0.92 -0.01 2.33 1.57 -1.17 -3.08 116.57 117.99 3iac h LYS 135 Ca 0.20 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3iac h LYS 135 Cb 0.21 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3iac h LYS 135 CO -0.02 1.01 0.02 -0.07 -0.57 0.00 0.00 179.45 179.82 3iac h LEU 136 N 0.76 0.00 -0.09 2.94 3.38 -0.62 -0.58 115.31 121.10 3iac h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iac h LEU 136 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iac h LEU 136 CO 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.55 3iac n ALA 137 N -2.20 2.61 -2.80 1.53 0.00 -1.07 -4.29 120.51 114.30 3iac n ALA 137 Ca -0.03 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.93 3iac n ALA 137 Cb 0.09 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.39 4.56 0.37 0.00 -4.23 -0.22 -5.03 115.64 108.70 3iac s THR 138 Ca 0.33 -0.93 0.09 0.00 -1.18 0.00 0.00 61.69 60.00 3iac s THR 138 Cb 0.21 -3.28 0.32 0.00 1.34 0.00 0.00 72.50 71.09 3iac s THR 138 CO 0.44 -0.02 1.92 -0.65 -0.54 0.00 0.00 174.62 175.77 3iac h PRO 139 N 2.74 0.63 0.00 3.99 0.11 -1.89 -1.52 132.00 136.05 3iac h PRO 139 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iac h PRO 139 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3iac h PRO 139 CO 0.65 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 3iac h ALA 140 N 1.61 1.00 -0.21 -0.75 0.00 -1.90 -2.30 119.26 116.72 3iac h ALA 140 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3iac h ALA 140 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iac h ALA 140 CO -0.14 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.30 3iac n PHE 141 N -2.43 0.60 -1.93 0.00 3.01 -0.58 -2.71 117.46 113.41 3iac n PHE 141 Ca -0.00 -0.78 -0.30 0.00 1.01 0.00 0.00 57.45 57.38 3iac n PHE 141 Cb 0.13 -0.20 0.19 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.81 3.13 0.16 4.37 1.04 -0.86 -4.70 113.70 115.03 3iac s SER 142 Ca 0.33 0.27 -0.18 0.00 0.48 0.00 0.00 55.95 56.84 3iac s SER 142 Cb 0.25 -0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.13 3iac s SER 142 CO 0.09 -2.73 1.66 0.00 0.98 0.00 0.00 173.24 173.24 3iac h ALA 143 N -1.64 0.17 -0.08 5.32 0.00 -1.13 -1.04 119.26 120.86 3iac h ALA 143 Ca -0.44 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 3iac h ALA 143 Cb 1.23 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3iac h ALA 143 CO 0.38 -0.50 -0.52 0.00 0.00 0.00 0.00 179.25 178.61 3iac h ARG 144 N -0.06 0.21 -0.41 0.00 3.08 -1.86 -3.21 114.38 112.12 3iac h ARG 144 Ca 0.17 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3iac h ARG 144 Cb 0.32 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3iac h ARG 144 CO -0.39 0.68 0.14 0.78 -1.07 0.00 0.00 179.97 180.11 3iac h GLY 145 N 1.40 0.68 -1.74 0.04 0.00 -1.46 -1.18 103.07 100.82 3iac h GLY 145 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3iac h GLY 145 CO 0.08 0.37 0.00 1.39 0.00 0.00 0.00 176.54 178.38 3iac n ILE 146 N -4.60 0.14 0.00 2.60 5.41 -0.47 -0.87 119.36 121.57 3iac n ILE 146 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3iac n ILE 146 Cb 0.17 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 3iac n ILE 146 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3iac n GLN 148 N 0.77 0.00 -0.03 0.38 0.00 -0.45 -4.63 117.38 113.43 3iac n GLN 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3iac n GLN 148 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.32 3iac n GLN 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3iac n GLN 149 N 0.00 0.13 -2.50 3.69 6.02 -0.05 -4.47 117.38 120.19 3iac n GLN 149 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3iac n GLN 149 Cb 0.00 -1.44 0.11 0.00 1.02 0.00 0.00 30.24 29.93 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 1.32 -1.36 -4.69 1.08 5.15 -1.26 -5.09 115.26 110.41 3iac n ASN 151 Ca 0.00 -2.19 -0.41 0.00 -0.60 0.00 0.00 54.58 51.38 3iac n ASN 151 Cb 0.06 0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 39.90 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 0.04 4.94 -2.28 3.44 1.01 -1.26 -0.56 120.40 125.73 3iac s VAL 152 Ca 0.09 1.61 0.19 0.00 0.00 0.00 0.00 61.98 63.86 3iac s VAL 152 Cb 0.40 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.80 3iac s VAL 152 CO -0.12 0.13 1.08 0.54 0.00 0.00 0.00 175.10 176.73 3iac n ARG 153 N 4.54 1.58 -3.58 2.72 5.12 -0.53 -4.75 116.66 121.76 3iac n ARG 153 Ca 0.02 -1.56 -0.11 0.00 -1.93 0.00 0.00 57.85 54.28 3iac n ARG 153 Cb 0.50 -1.35 -0.05 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.58 0.00 -0.29 1.55 -7.23 -0.13 -1.72 120.40 111.01 3iac s VAL 155 Ca 0.21 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.41 3iac s VAL 155 Cb 0.15 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 36.17 3iac s VAL 155 CO 0.25 0.00 -0.05 -0.83 -0.31 0.00 0.00 175.10 174.15 3iac s GLY 156 N -1.05 1.72 0.77 2.32 0.00 -0.44 -1.20 107.32 109.43 3iac s GLY 156 Ca -0.02 -1.99 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 3iac s GLY 156 CO 0.01 0.75 1.13 -0.51 0.00 0.00 0.00 173.10 174.49 3iac s THR 157 N 1.06 2.79 -0.28 0.90 -4.23 -0.52 -0.16 115.64 115.19 3iac s THR 157 Ca -0.02 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 3iac s THR 157 Cb -0.20 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.45 3iac s THR 157 CO -0.06 -0.33 0.02 -0.89 -0.54 0.00 0.00 174.62 172.81 3iac s THR 158 N -3.42 3.42 0.12 3.99 2.01 -0.94 -1.34 115.64 119.47 3iac s THR 158 Ca 0.60 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.71 3iac s THR 158 Cb -0.12 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3iac s THR 158 CO 0.51 0.06 -0.16 -1.81 -0.69 0.00 0.00 174.62 172.53 3iac s ASP 159 N 1.39 2.16 0.13 3.53 1.11 0.14 -4.92 116.67 120.21 3iac s ASP 159 Ca 0.00 -0.76 -0.14 0.00 0.18 0.00 0.00 52.55 51.84 3iac s ASP 159 Cb -0.18 -0.09 -0.07 0.00 1.07 0.00 0.00 42.92 43.65 3iac s ASP 159 CO -0.00 -0.07 0.52 -0.62 1.18 0.00 0.00 175.17 176.17 3iac s ASP 160 N -2.24 6.80 0.54 0.27 -1.08 -1.26 -0.60 116.67 119.10 3iac s ASP 160 Ca 0.07 1.03 0.37 0.00 -0.52 0.00 0.00 52.55 53.50 3iac s ASP 160 Cb -0.07 -2.27 1.55 0.00 -1.46 0.00 0.00 42.92 40.66 3iac s ASP 160 CO 0.04 0.13 1.79 -0.65 0.52 0.00 0.00 175.17 176.99 3iac h PRO 161 N 3.65 0.02 -0.00 4.34 0.11 -1.94 0.12 132.00 138.30 3iac h PRO 161 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iac h PRO 161 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iac h PRO 161 CO 0.66 0.01 -0.13 0.44 -0.21 0.00 0.00 178.00 178.77 3iac n ILE 162 N -4.19 0.00 -2.12 4.15 -5.35 -1.26 -4.90 119.36 105.70 3iac n ILE 162 Ca 0.27 -0.02 -0.40 0.00 -0.27 0.00 0.00 62.75 62.33 3iac n ILE 162 Cb 1.28 -0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.93 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 -2.79 6.61 0.33 7.28 1.01 0.42 -4.90 116.67 124.63 3iac s ASP 163 Ca 0.20 2.64 0.13 0.00 0.71 0.00 0.00 52.55 56.22 3iac s ASP 163 Cb 0.19 -2.64 0.58 0.00 1.01 0.00 0.00 42.92 42.06 3iac s ASP 163 CO 0.54 -0.64 1.73 0.77 0.21 0.00 0.00 175.17 177.77 3iac h SER 164 N 3.09 0.00 -0.58 0.27 4.64 -1.90 -3.47 113.55 115.59 3iac h SER 164 Ca -0.49 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.58 3iac h SER 164 Cb 1.23 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 3iac h SER 164 CO 0.64 0.47 -0.23 0.18 -0.87 0.00 0.00 176.83 177.03 3iac n LEU 165 N -3.88 -0.77 -0.24 5.97 4.77 -1.26 -4.90 117.00 116.69 3iac n LEU 165 Ca -0.01 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 3iac n LEU 165 Cb 0.51 -2.14 0.34 0.00 -2.33 0.00 0.00 43.42 39.79 3iac n LEU 165 CO 0.40 -0.77 1.23 1.05 -1.33 0.00 0.00 177.39 177.96 3iac h GLU 166 N 0.05 0.77 -0.09 3.23 4.11 -2.00 -1.47 114.58 119.18 3iac h GLU 166 Ca -0.25 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 58.99 3iac h GLU 166 Cb 0.93 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3iac h GLU 166 CO 0.37 0.51 -0.55 1.88 0.07 0.00 0.00 179.01 181.29 3iac h TYR 167 N 0.79 0.34 -0.55 2.06 0.05 -1.91 -0.98 116.97 116.77 3iac h TYR 167 Ca 0.38 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.98 3iac h TYR 167 Cb 0.42 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 3iac h TYR 167 CO -0.00 0.76 0.11 0.45 -1.05 0.00 0.00 178.16 178.43 3iac h HIS 168 N 0.21 0.95 -0.31 4.88 3.86 -1.62 -1.16 115.15 121.95 3iac h HIS 168 Ca 0.00 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3iac h HIS 168 Cb 1.03 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3iac h HIS 168 CO 0.02 0.83 0.15 0.00 0.86 0.00 0.00 177.93 179.79 3iac h ARG 169 N 0.79 0.45 -0.59 2.45 3.08 -1.07 -1.00 114.38 118.49 3iac h ARG 169 Ca 0.17 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.21 3iac h ARG 169 Cb 0.37 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3iac h ARG 169 CO 0.01 0.42 0.31 0.37 -1.07 0.00 0.00 179.97 180.00 3iac h GLN 170 N 0.36 0.56 -0.48 0.04 4.15 -1.01 -1.12 115.11 117.61 3iac h GLN 170 Ca 0.11 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 3iac h GLN 170 Cb 0.12 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3iac h GLN 170 CO -0.01 0.37 0.10 0.82 -1.93 0.00 0.00 178.83 178.17 3iac h ILE 171 N 0.58 1.24 -0.76 2.39 2.04 -0.99 -2.31 117.51 119.70 3iac h ILE 171 Ca 0.27 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3iac h ILE 171 Cb 0.18 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3iac h ILE 171 CO -0.18 0.31 0.48 0.00 0.00 0.00 0.00 178.15 178.76 3iac h ALA 172 N 0.97 0.97 0.00 1.87 0.00 -0.66 -2.62 119.26 119.79 3iac h ALA 172 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iac h ALA 172 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3iac h ALA 172 CO 0.01 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3iac n ALA 173 N -2.32 2.38 -2.56 0.00 0.00 -0.47 -4.71 120.51 112.83 3iac n ALA 173 Ca 0.07 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 3iac n ALA 173 Cb 0.03 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.83 6.22 0.06 0.00 -1.08 -0.88 -4.94 116.67 113.22 3iac s ASP 174 Ca 0.20 -0.69 0.20 0.00 -0.52 0.00 0.00 52.55 51.74 3iac s ASP 174 Cb 0.19 -2.25 0.83 0.00 -1.46 0.00 0.00 42.92 40.24 3iac s ASP 174 CO 0.50 -0.67 1.63 0.47 0.52 0.00 0.00 175.17 177.62 3iac n ASP 175 N 5.79 0.16 0.00 -0.34 8.00 -1.26 -2.80 116.55 126.10 3iac n ASP 175 Ca -0.06 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.08 3iac n ASP 175 Cb 0.47 -0.57 0.53 0.00 -0.02 0.00 0.00 41.12 41.53 3iac n ASP 175 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iac n SER 176 N -1.67 0.00 -3.97 -2.24 3.41 -1.26 -4.54 113.62 103.35 3iac n SER 176 Ca 0.04 0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.59 3iac n SER 176 Cb 0.24 -0.39 -0.17 0.00 -0.26 0.00 0.00 64.21 63.63 3iac n SER 176 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3iac s ILE 177 N -2.78 1.36 -2.84 -1.33 2.07 -1.12 -5.00 121.20 111.55 3iac s ILE 177 Ca 0.17 -0.55 0.23 0.00 -1.41 0.00 0.00 60.65 59.08 3iac s ILE 177 Cb 0.15 -1.34 0.17 0.00 0.13 0.00 0.00 42.46 41.58 3iac s ILE 177 CO 0.38 0.37 1.22 -0.90 -1.91 0.00 0.00 174.94 174.11 3iac n ASP 178 N 4.83 2.88 -4.72 4.50 5.68 -1.26 -4.89 116.55 123.56 3iac n ASP 178 Ca -0.15 -1.94 -0.42 0.00 -0.50 0.00 0.00 54.79 51.79 3iac n ASP 178 Cb 0.49 0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 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 -1.94 3.92 -0.07 2.12 1.01 -1.26 -4.98 121.20 119.99 3iac s ILE 179 Ca 0.26 1.49 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 3iac s ILE 179 Cb 0.19 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3iac s ILE 179 CO 0.30 0.18 0.86 -0.70 0.00 0.00 0.00 174.94 175.58 3iac s GLU 180 N 0.40 4.45 -0.36 2.79 2.12 -0.70 -4.98 118.70 122.42 3iac s GLU 180 Ca 0.55 1.16 0.04 0.00 0.36 0.00 0.00 54.97 57.08 3iac s GLU 180 Cb -0.30 -3.49 0.10 0.00 0.26 0.00 0.00 34.13 30.71 3iac s GLU 180 CO 0.32 -0.10 0.07 0.08 -0.54 0.00 0.00 175.26 175.10 3iac s VAL 181 N 1.28 2.35 -0.08 3.70 1.01 -1.26 -0.96 120.40 126.44 3iac s VAL 181 Ca 0.44 -2.40 -0.07 0.00 0.00 0.00 0.00 61.98 59.95 3iac s VAL 181 Cb -0.19 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3iac s VAL 181 CO 0.21 -0.62 0.18 0.00 0.00 0.00 0.00 175.10 174.87 3iac s ALA 182 N 0.83 3.87 0.54 5.51 0.00 -0.34 -4.91 121.76 127.25 3iac s ALA 182 Ca 0.11 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 3iac s ALA 182 Cb -0.20 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 3iac s ALA 182 CO -0.07 0.63 0.94 -1.25 0.00 0.00 0.00 175.76 176.00 3iac s PRO 183 N -1.24 3.69 -0.04 0.00 0.04 -1.26 -1.44 135.00 134.76 3iac s PRO 183 Ca 0.19 0.65 0.04 0.00 0.04 0.00 0.00 61.00 61.92 3iac s PRO 183 Cb -0.13 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 3iac s PRO 183 CO 0.08 -0.36 -0.16 -1.12 0.04 0.00 0.00 177.00 175.49 3iac s SER 184 N -3.77 1.98 -0.38 6.66 0.01 -0.45 -4.12 113.70 113.62 3iac s SER 184 Ca 0.54 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.19 3iac s SER 184 Cb -0.11 -0.53 0.02 0.00 0.21 0.00 0.00 66.02 65.61 3iac s SER 184 CO 0.44 0.14 1.16 0.86 0.41 0.00 0.00 173.24 176.24 3iac s TRP 185 N 0.05 2.91 -0.42 2.43 -0.11 -0.48 -0.69 118.94 122.63 3iac s TRP 185 Ca -0.03 0.94 0.04 0.00 1.22 0.00 0.00 56.10 58.27 3iac s TRP 185 Cb -0.11 -4.02 0.12 0.00 -1.50 0.00 0.00 33.47 27.95 3iac s TRP 185 CO 0.02 -1.18 0.16 0.50 -4.62 0.00 0.00 176.95 171.83 3iac s ARG 186 N 4.10 1.63 -0.33 5.86 3.52 0.24 -0.89 118.95 133.07 3iac s ARG 186 Ca 0.49 -2.16 0.03 0.00 -0.13 0.00 0.00 55.73 53.96 3iac s ARG 186 Cb -0.11 -3.11 0.47 0.00 -1.56 0.00 0.00 34.95 30.64 3iac s ARG 186 CO 0.23 -1.03 1.68 -0.35 -0.81 0.00 0.00 175.30 175.02 3iac n PRO 187 N 3.74 1.91 -0.30 5.12 -0.04 -1.25 -4.28 135.00 139.90 3iac n PRO 187 Ca 0.04 -2.16 0.08 0.00 -0.04 0.00 0.00 63.50 61.43 3iac n PRO 187 Cb 0.37 -1.85 0.19 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.78 -0.51 0.54 3.54 5.19 -1.92 0.75 116.42 124.78 3iac h ASP 188 Ca 0.45 0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 57.07 3iac h ASP 188 Cb 2.24 0.44 -0.01 0.00 0.18 0.00 0.00 39.33 42.19 3iac h ASP 188 CO 0.81 -0.27 -0.19 0.11 -3.12 0.00 0.00 179.24 176.59 3iac h LYS 189 N 0.05 0.00 -0.24 3.56 1.57 -1.93 -1.85 116.57 117.74 3iac h LYS 189 Ca 0.48 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.14 3iac h LYS 189 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 3iac h LYS 189 CO -0.82 0.19 -0.32 0.28 -0.57 0.00 0.00 179.45 178.21 3iac h VAL 190 N 0.00 1.32 0.00 0.50 2.07 -1.23 -3.32 116.25 115.59 3iac h VAL 190 Ca -0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3iac h VAL 190 Cb 0.51 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3iac h VAL 190 CO 0.02 0.48 -0.85 2.22 0.02 0.00 0.00 177.57 179.46 3iac n PHE 191 N -4.28 0.61 -2.13 1.57 1.16 -1.07 -4.51 117.46 108.80 3iac n PHE 191 Ca -0.05 0.18 -0.42 0.00 -1.87 0.00 0.00 57.45 55.29 3iac n PHE 191 Cb 0.49 -0.70 -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 -2.25 3.85 0.26 3.97 5.02 -0.72 -4.38 118.16 123.91 3iac n LYS 192 Ca 0.02 -3.37 0.15 0.00 -2.02 0.00 0.00 58.31 53.10 3iac n LYS 192 Cb 0.47 -2.86 0.86 0.00 -0.02 0.00 0.00 35.03 33.49 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 3.39 0.55 0.00 -0.18 2.10 -1.82 -2.38 117.51 119.17 3iac h ILE 193 Ca 0.52 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.46 3iac h ILE 193 Cb 0.52 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 3iac h ILE 193 CO 1.62 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 176.85 3iac n GLU 194 N -3.89 0.20 -2.57 2.19 0.00 -1.26 -4.79 120.64 110.52 3iac n GLU 194 Ca -0.01 0.27 -0.34 0.00 0.00 0.00 0.00 57.16 57.07 3iac n GLU 194 Cb 0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 31.44 29.79 3iac n GLU 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3iac s LEU 195 N -4.30 3.90 0.28 -1.84 1.43 -0.90 -4.96 118.68 112.30 3iac s LEU 195 Ca 0.09 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 3iac s LEU 195 Cb 0.12 -4.50 0.55 0.00 0.03 0.00 0.00 46.19 42.39 3iac s LEU 195 CO 0.50 -0.69 1.84 0.44 0.23 0.00 0.00 176.35 178.67 3iac h ASP 196 N 1.75 0.93 -0.08 2.29 3.32 -1.90 -2.56 116.42 120.17 3iac h ASP 196 Ca -0.49 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3iac h ASP 196 Cb 1.22 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3iac h ASP 196 CO 0.60 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 179.22 3iac n GLY 197 N -1.35 -0.61 0.18 2.75 0.00 -1.26 -4.34 105.19 100.56 3iac n GLY 197 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.45 0.28 -0.20 1.61 3.57 -1.76 -0.69 116.94 120.20 3iac h PHE 198 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3iac h PHE 198 Cb 0.11 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3iac h PHE 198 CO 0.05 0.10 -0.04 0.28 -2.23 0.00 0.00 178.31 176.47 3iac h VAL 199 N 0.33 1.28 -0.90 1.41 2.07 -1.85 0.11 116.25 118.70 3iac h VAL 199 Ca 0.21 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.78 3iac h VAL 199 Cb 0.20 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3iac h VAL 199 CO -0.21 0.31 0.57 0.44 0.02 0.00 0.00 177.57 178.69 3iac h ASP 200 N 0.12 0.89 -0.38 0.57 3.32 -1.82 -1.53 116.42 117.59 3iac h ASP 200 Ca 0.05 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3iac h ASP 200 Cb 0.49 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3iac h ASP 200 CO 0.02 0.56 -0.07 0.22 -1.72 0.00 0.00 179.24 178.25 3iac h TYR 201 N 1.02 0.80 -0.78 4.55 3.20 -0.88 -2.74 116.97 122.14 3iac h TYR 201 Ca 0.40 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3iac h TYR 201 Cb 0.19 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3iac h TYR 201 CO -0.02 0.85 0.49 1.25 -1.64 0.00 0.00 178.16 179.09 3iac h LEU 202 N 0.52 0.91 -1.10 2.82 5.85 -0.36 -0.28 115.31 123.68 3iac h LEU 202 Ca 0.10 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3iac h LEU 202 Cb 0.58 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3iac h LEU 202 CO 0.03 0.68 0.11 0.03 -0.34 0.00 0.00 178.44 178.96 3iac h ARG 203 N 1.06 0.75 -0.30 1.25 3.08 -1.12 0.12 114.38 119.23 3iac h ARG 203 Ca 0.28 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 3iac h ARG 203 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3iac h ARG 203 CO -0.06 0.69 -0.37 0.87 -1.07 0.00 0.00 179.97 180.03 3iac h LYS 204 N 0.73 0.68 -0.63 0.04 1.57 -0.86 -1.28 116.57 116.82 3iac h LYS 204 Ca 0.16 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 3iac h LYS 204 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3iac h LYS 204 CO -0.00 0.94 0.07 1.25 -0.57 0.00 0.00 179.45 181.14 3iac h LEU 205 N 0.57 1.03 -0.68 2.94 5.85 -0.63 -1.01 115.31 123.38 3iac h LEU 205 Ca 0.05 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3iac h LEU 205 Cb 0.90 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3iac h LEU 205 CO 0.08 1.05 0.42 -0.33 -0.34 0.00 0.00 178.44 179.32 3iac h GLU 206 N 0.98 0.79 -0.42 1.25 5.08 -0.47 -1.24 114.58 120.55 3iac h GLU 206 Ca 0.19 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3iac h GLU 206 Cb 0.48 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3iac h GLU 206 CO 0.02 0.52 0.09 0.00 -1.00 0.00 0.00 179.01 178.64 3iac h ALA 207 N 1.31 0.56 -0.54 3.43 0.00 -0.85 0.18 119.26 123.35 3iac h ALA 207 Ca 0.28 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3iac h ALA 207 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iac h ALA 207 CO -0.12 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.28 3iac h ALA 208 N 0.95 0.74 0.00 0.00 0.00 -0.98 -3.15 119.26 116.82 3iac h ALA 208 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iac h ALA 208 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iac h ALA 208 CO 0.00 0.64 -0.72 0.00 0.00 0.00 0.00 179.25 179.18 3iac h ALA 209 N 0.92 0.60 -5.26 0.00 0.00 -1.21 -3.48 119.26 110.83 3iac h ALA 209 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 3iac h ALA 209 Cb 0.66 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.59 3iac h ALA 209 CO 0.05 0.00 -0.63 -3.47 0.00 0.00 0.00 179.25 175.20 3iac n ASP 210 N -2.51 -4.47 -3.95 0.00 2.03 0.58 -5.01 116.55 103.22 3iac n ASP 210 Ca 0.02 -0.50 -0.19 0.00 0.52 0.00 0.00 54.79 54.63 3iac n ASP 210 Cb 0.50 -4.54 -0.16 0.00 -0.72 0.00 0.00 41.12 36.21 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 -3.30 0.59 0.00 5.18 1.01 -0.90 -5.04 120.40 117.95 3iac s VAL 211 Ca 0.33 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 3iac s VAL 211 Cb -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3iac s VAL 211 CO 0.64 0.21 0.99 -0.44 0.00 0.00 0.00 175.10 176.50 3iac s SER 212 N 0.41 7.35 -0.33 3.32 0.01 -1.26 -4.40 113.70 118.79 3iac s SER 212 Ca -0.05 1.68 -0.02 0.00 1.31 0.00 0.00 55.95 58.87 3iac s SER 212 Cb -0.09 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.63 3iac s SER 212 CO 0.00 -0.27 0.06 -0.63 0.41 0.00 0.00 173.24 172.81 3iac s ILE 213 N 1.01 3.02 0.00 1.44 1.01 -1.26 -4.86 121.20 121.56 3iac s ILE 213 Ca 0.52 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.54 3iac s ILE 213 Cb -0.22 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3iac s ILE 213 CO 0.28 -0.30 0.00 0.41 0.00 0.00 0.00 174.94 175.33 3iac n THR 214 N 4.59 0.00 -3.94 2.92 -1.04 -1.26 -5.01 114.28 110.54 3iac n THR 214 Ca -0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 3iac n THR 214 Cb 0.43 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 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 -1.93 3.12 0.31 -2.82 0.52 -1.26 -4.63 118.95 112.26 3iac s ARG 215 Ca 0.00 -0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 3iac s ARG 215 Cb 0.00 -2.71 0.50 0.00 0.52 0.00 0.00 34.95 33.26 3iac s ARG 215 CO 0.00 0.33 1.98 0.35 0.02 0.00 0.00 175.30 177.98 3iac h PHE 216 N 1.26 0.96 0.00 -0.53 3.57 -1.88 -1.16 116.94 119.16 3iac h PHE 216 Ca -0.49 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 3iac h PHE 216 Cb 1.24 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3iac h PHE 216 CO 0.50 0.61 -0.17 0.22 -2.23 0.00 0.00 178.31 177.23 3iac h ASP 217 N 1.03 0.00 -0.30 0.41 3.58 -1.95 -0.69 116.42 118.51 3iac h ASP 217 Ca 0.28 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.64 3iac h ASP 217 Cb -0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3iac h ASP 217 CO -0.06 0.17 -0.12 0.44 -2.88 0.00 0.00 179.24 176.80 3iac h ASP 218 N 0.00 0.71 -0.63 2.28 3.32 -1.55 -1.76 116.42 118.78 3iac h ASP 218 Ca -0.00 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 3iac h ASP 218 Cb 0.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3iac h ASP 218 CO 0.02 0.85 0.25 0.25 -1.72 0.00 0.00 179.24 178.89 3iac h LEU 219 N 0.65 0.88 -0.81 1.55 5.85 -0.87 -0.12 115.31 122.44 3iac h LEU 219 Ca 0.11 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3iac h LEU 219 Cb 0.58 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3iac h LEU 219 CO 0.04 0.82 0.48 0.03 -0.34 0.00 0.00 178.44 179.46 3iac h ARG 220 N 0.89 1.10 -0.20 1.25 3.08 -0.91 -0.28 114.38 119.31 3iac h ARG 220 Ca 0.21 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3iac h ARG 220 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3iac h ARG 220 CO -0.02 0.78 0.07 1.96 -1.07 0.00 0.00 179.97 181.70 3iac h GLN 221 N 1.11 0.31 -0.27 0.04 4.20 -0.89 0.16 115.11 119.77 3iac h GLN 221 Ca 0.29 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3iac h GLN 221 Cb -0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3iac h GLN 221 CO -0.05 0.38 0.17 0.00 -0.67 0.00 0.00 178.83 178.66 3iac h ALA 222 N 0.91 0.34 -0.72 3.87 0.00 -0.78 -2.04 119.26 120.84 3iac h ALA 222 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iac h ALA 222 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3iac h ALA 222 CO -0.00 -0.17 0.19 -0.07 0.00 0.00 0.00 179.25 179.20 3iac h LEU 223 N 0.35 1.06 -0.60 0.00 3.38 -0.95 -2.20 115.31 116.35 3iac h LEU 223 Ca 0.10 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3iac h LEU 223 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3iac h LEU 223 CO -0.02 1.00 0.38 0.74 0.09 0.00 0.00 178.44 180.64 3iac h THR 224 N 1.07 1.11 -0.69 0.22 2.02 -0.43 0.31 112.91 116.53 3iac h THR 224 Ca 0.23 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3iac h THR 224 Cb 0.34 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3iac h THR 224 CO -0.00 0.14 0.33 0.03 0.37 0.00 0.00 175.52 176.39 3iac h ARG 225 N 0.77 0.99 -0.14 6.66 3.08 -1.11 -1.11 114.38 123.52 3iac h ARG 225 Ca 0.23 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 3iac h ARG 225 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3iac h ARG 225 CO -0.08 0.78 -0.54 0.00 -1.07 0.00 0.00 179.97 179.07 3iac h ARG 226 N 0.96 0.41 -0.55 0.04 2.47 -0.83 -1.72 114.38 115.16 3iac h ARG 226 Ca 0.24 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3iac h ARG 226 Cb 0.12 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 3iac h ARG 226 CO -0.03 0.85 0.23 -0.07 0.56 0.00 0.00 179.97 181.50 3iac h LEU 227 N 0.32 0.75 -0.92 3.04 3.38 -0.16 -0.67 115.31 121.03 3iac h LEU 227 Ca 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3iac h LEU 227 Cb 1.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3iac h LEU 227 CO 0.09 0.70 0.41 0.44 0.09 0.00 0.00 178.44 180.17 3iac h ASP 228 N 0.74 1.07 -0.20 -0.43 3.32 -1.03 0.16 116.42 120.05 3iac h ASP 228 Ca 0.18 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3iac h ASP 228 Cb 0.18 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3iac h ASP 228 CO -0.02 0.89 0.11 -0.74 -1.72 0.00 0.00 179.24 177.76 3iac h HIS 229 N 1.17 0.28 -0.51 4.55 2.76 -0.93 -0.09 115.15 122.38 3iac h HIS 229 Ca 0.29 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.46 3iac h HIS 229 Cb 0.10 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 3iac h HIS 229 CO 0.01 0.27 0.32 0.74 -1.30 0.00 0.00 177.93 177.97 3iac h PHE 230 N 0.22 0.60 -0.59 5.26 -1.00 -0.72 -1.81 116.94 118.90 3iac h PHE 230 Ca 0.07 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.89 3iac h PHE 230 Cb 0.08 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.40 3iac h PHE 230 CO -0.03 0.36 0.37 0.00 -1.61 0.00 0.00 178.31 177.39 3iac h ALA 231 N 1.21 0.76 0.00 2.45 0.00 -0.38 -0.36 119.26 122.94 3iac h ALA 231 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iac h ALA 231 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3iac h ALA 231 CO -0.07 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3iac h ALA 232 N 1.25 1.00 -0.65 0.00 0.00 -0.68 -1.74 119.26 118.44 3iac h ALA 232 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iac h ALA 232 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iac h ALA 232 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3iac n GLY 234 N 1.34 0.78 3.75 0.00 0.00 -0.65 -4.54 105.19 105.87 3iac n GLY 234 Ca 0.24 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 1.85 0.96 -3.66 0.00 1.74 -1.26 -4.64 116.66 111.65 3iac n ARG 236 Ca 0.05 -0.81 -0.10 0.00 -0.77 0.00 0.00 57.85 56.22 3iac n ARG 236 Cb 0.40 -0.68 -0.05 0.00 -1.02 0.00 0.00 32.46 31.12 3iac n ARG 236 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iac s ALA 237 N -0.33 -0.86 0.12 7.54 0.00 -1.26 -1.51 121.76 125.45 3iac s ALA 237 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.86 3iac s ALA 237 Cb 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3iac s ALA 237 CO 0.00 -0.64 -0.06 -1.54 0.00 0.00 0.00 175.76 173.52 3iac s SER 238 N -2.82 1.22 -0.01 0.00 1.04 0.18 -1.38 113.70 111.94 3iac s SER 238 Ca 0.04 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.34 3iac s SER 238 Cb 0.02 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3iac s SER 238 CO -0.11 -0.47 0.20 -0.62 0.98 0.00 0.00 173.24 173.22 3iac s ASP 239 N -3.08 -0.06 -0.14 7.02 2.15 -0.06 -0.83 116.67 121.67 3iac s ASP 239 Ca 0.14 -0.07 -0.04 0.00 0.43 0.00 0.00 52.55 53.02 3iac s ASP 239 Cb 0.05 0.26 0.06 0.00 -0.30 0.00 0.00 42.92 42.99 3iac s ASP 239 CO -0.03 -0.37 0.16 -1.00 -0.17 0.00 0.00 175.17 173.76 3iac s HIS 240 N -1.25 -0.12 -0.44 -5.34 3.76 -0.32 -3.95 115.29 107.62 3iac s HIS 240 Ca -0.13 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.82 3iac s HIS 240 Cb -0.06 -0.39 0.02 0.00 1.11 0.00 0.00 32.58 33.26 3iac s HIS 240 CO 0.02 -0.42 0.83 0.20 -0.85 0.00 0.00 174.74 174.52 3iac s GLY 241 N 2.27 1.57 -0.30 -2.22 0.00 -1.26 -0.77 107.32 106.60 3iac s GLY 241 Ca 0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 3iac s GLY 241 CO -0.08 1.86 -0.00 -0.42 0.00 0.00 0.00 173.10 174.46 3iac s ILE 242 N 3.41 2.80 -0.02 0.90 1.01 0.15 -4.94 121.20 124.50 3iac s ILE 242 Ca 0.32 -1.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.37 3iac s ILE 242 Cb -0.12 -2.67 -0.28 0.00 0.01 0.00 0.00 42.46 39.40 3iac s ILE 242 CO 0.23 -0.18 0.76 -0.33 0.00 0.00 0.00 174.94 175.42 3iac h GLU 243 N 7.93 0.26 -4.08 2.79 3.07 -1.83 -1.09 114.58 121.63 3iac h GLU 243 Ca -0.19 -0.45 -0.63 0.00 -0.50 0.00 0.00 59.36 57.59 3iac h GLU 243 Cb 1.05 0.17 -0.40 0.00 -0.84 0.00 0.00 28.75 28.73 3iac h GLU 243 CO 0.53 1.12 -0.72 0.99 -1.40 0.00 0.00 179.01 179.53 3iac s THR 244 N -2.60 1.82 -0.35 1.13 2.01 -1.26 -4.57 115.64 111.82 3iac s THR 244 Ca -0.11 -2.19 -0.29 0.00 0.31 0.00 0.00 61.69 59.41 3iac s THR 244 Cb 0.07 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.25 3iac s THR 244 CO 0.84 -0.67 1.21 -0.22 -0.69 0.00 0.00 174.62 175.09 3iac s LEU 245 N 0.94 3.82 0.36 4.42 2.96 -1.26 -5.00 118.68 124.92 3iac s LEU 245 Ca 0.12 0.97 0.08 0.00 -0.22 0.00 0.00 54.13 55.09 3iac s LEU 245 Cb -0.20 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 3iac s LEU 245 CO -0.12 -1.08 0.05 -0.13 -1.32 0.00 0.00 176.35 173.76 3iac s ARG 246 N 4.13 2.11 -0.23 1.98 0.52 -1.26 -4.90 118.95 121.30 3iac s ARG 246 Ca 0.52 -1.80 -0.18 0.00 -0.52 0.00 0.00 55.73 53.74 3iac s ARG 246 Cb -0.13 -1.92 0.06 0.00 0.52 0.00 0.00 34.95 33.48 3iac s ARG 246 CO 0.23 0.06 0.60 0.12 0.02 0.00 0.00 175.30 176.33 3iac s PHE 247 N -2.55 -0.75 -0.16 -0.53 5.36 -1.26 -4.87 117.98 113.21 3iac s PHE 247 Ca 0.36 1.70 -0.16 0.00 -0.96 0.00 0.00 56.93 57.88 3iac s PHE 247 Cb 0.02 0.33 0.04 0.00 -0.34 0.00 0.00 43.02 43.07 3iac s PHE 247 CO 0.20 -0.37 0.44 0.00 -1.46 0.00 0.00 175.22 174.03 3iac s ALA 248 N 0.76 -1.10 0.29 11.12 0.00 -1.26 -4.93 121.76 126.64 3iac s ALA 248 Ca -0.03 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 3iac s ALA 248 Cb -0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 23.12 22.24 3iac s ALA 248 CO -0.06 -0.21 1.20 -2.30 0.00 0.00 0.00 175.76 174.39 3iac n PRO 249 N 2.77 1.77 -1.90 0.00 -0.02 -1.26 -4.67 135.00 131.69 3iac n PRO 249 Ca -0.14 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3iac n PRO 249 Cb 0.57 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.83 3.40 0.92 -1.45 1.01 -1.26 -4.85 120.40 117.33 3iac s VAL 250 Ca 0.60 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 3iac s VAL 250 Cb -0.65 -3.34 0.18 0.00 0.00 0.00 0.00 36.38 32.57 3iac s VAL 250 CO 0.58 -0.09 1.27 -2.16 0.00 0.00 0.00 175.10 174.71 3iac s PRO 251 N 4.51 0.87 0.88 2.72 0.04 -1.26 -5.06 135.00 137.71 3iac s PRO 251 Ca 0.80 -0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 3iac s PRO 251 Cb -0.34 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.41 3iac s PRO 251 CO 0.33 -2.23 1.11 0.16 0.04 0.00 0.00 177.00 176.41 3iac s ASP 252 N -4.85 3.69 0.35 6.66 1.47 -1.26 -4.79 116.67 117.94 3iac s ASP 252 Ca 0.72 1.19 0.07 0.00 1.18 0.00 0.00 52.55 55.71 3iac s ASP 252 Cb -0.05 -1.85 0.76 0.00 -0.34 0.00 0.00 42.92 41.44 3iac s ASP 252 CO 0.52 -2.46 1.90 0.44 0.68 0.00 0.00 175.17 176.25 3iac h ASP 253 N -1.43 0.69 -0.84 2.11 5.19 -1.99 -1.92 116.42 118.23 3iac h ASP 253 Ca -0.50 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 55.99 3iac h ASP 253 Cb 1.30 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.64 3iac h ASP 253 CO 0.59 0.39 0.52 0.00 -3.12 0.00 0.00 179.24 177.63 3iac h ALA 254 N 1.59 1.15 -0.29 3.45 0.00 -1.99 0.35 119.26 123.51 3iac h ALA 254 Ca 0.40 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3iac h ALA 254 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iac h ALA 254 CO -0.16 0.27 -0.20 0.37 0.00 0.00 0.00 179.25 179.52 3iac h GLN 255 N 0.96 0.66 -0.78 0.00 5.75 -1.73 -2.06 115.11 117.90 3iac h GLN 255 Ca 0.37 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3iac h GLN 255 Cb 0.16 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 3iac h GLN 255 CO -0.17 0.91 0.44 -0.07 -2.65 0.00 0.00 178.83 177.30 3iac h LEU 256 N 0.40 0.96 -0.99 -2.39 3.38 -0.83 -0.98 115.31 114.87 3iac h LEU 256 Ca 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3iac h LEU 256 Cb 0.75 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3iac h LEU 256 CO 0.05 0.77 0.56 0.44 0.09 0.00 0.00 178.44 180.36 3iac h ASP 257 N 1.08 1.11 -0.47 -0.43 3.32 -0.26 -1.42 116.42 119.35 3iac h ASP 257 Ca 0.28 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 3iac h ASP 257 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3iac h ASP 257 CO -0.05 0.85 -0.02 0.00 -1.72 0.00 0.00 179.24 178.30 3iac h ALA 258 N 1.34 0.64 -0.25 3.45 0.00 -0.78 0.21 119.26 123.87 3iac h ALA 258 Ca 0.33 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iac h ALA 258 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3iac h ALA 258 CO -0.06 0.46 0.15 0.82 0.00 0.00 0.00 179.25 180.62 3iac h ILE 259 N 0.70 1.10 -0.63 0.00 2.04 -0.86 0.60 117.51 120.45 3iac h ILE 259 Ca 0.13 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 3iac h ILE 259 Cb 0.54 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3iac h ILE 259 CO 0.03 0.10 0.18 0.25 0.00 0.00 0.00 178.15 178.70 3iac h LEU 260 N 0.31 0.94 -0.22 1.44 5.85 -1.11 -0.96 115.31 121.56 3iac h LEU 260 Ca 0.09 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3iac h LEU 260 Cb 0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3iac h LEU 260 CO -0.02 0.91 0.08 1.23 -0.34 0.00 0.00 178.44 180.31 3iac h GLY 261 N 0.92 0.27 0.97 3.75 0.00 -0.25 -0.05 103.07 108.68 3iac h GLY 261 Ca 0.20 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.49 3iac h GLY 261 CO -0.00 0.04 0.43 0.50 0.00 0.00 0.00 176.54 177.51 3iac h LYS 262 N 0.19 0.85 -0.35 4.80 1.57 -0.68 -1.73 116.57 121.23 3iac h LYS 262 Ca 0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3iac h LYS 262 Cb 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3iac h LYS 262 CO -0.08 0.56 0.12 -0.09 -0.57 0.00 0.00 179.45 179.38 3iac h ARG 263 N 0.87 0.53 0.00 3.15 9.65 -0.74 -1.12 114.38 126.72 3iac h ARG 263 Ca 0.25 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3iac h ARG 263 Cb -0.07 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3iac h ARG 263 CO -0.07 0.55 -0.09 -0.07 2.80 0.00 0.00 179.97 183.09 3iac h LEU 264 N 0.41 0.00 -0.77 3.80 3.38 -0.76 -1.58 115.31 119.79 3iac h LEU 264 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iac h LEU 264 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3iac h LEU 264 CO -0.01 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3iac n ALA 265 N -2.36 2.55 -0.98 1.53 0.00 -0.67 -4.92 120.51 115.66 3iac n ALA 265 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3iac n ALA 265 Cb 0.18 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.02 0.44 3.79 0.00 0.00 -0.59 -5.01 105.19 104.84 3iac n GLY 266 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.43 4.10 0.13 1.61 2.02 -0.46 -4.99 118.70 120.67 3iac s GLU 267 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 54.97 56.10 3iac s GLU 267 Cb 0.00 -2.39 -0.07 0.00 0.10 0.00 0.00 34.13 31.77 3iac s GLU 267 CO 0.00 -0.18 1.17 0.99 0.02 0.00 0.00 175.26 177.26 3iac s THR 268 N -1.80 3.84 0.13 3.63 2.01 -1.26 -4.43 115.64 117.76 3iac s THR 268 Ca 0.60 1.45 -0.10 0.00 0.31 0.00 0.00 61.69 63.95 3iac s THR 268 Cb -0.19 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 3iac s THR 268 CO 0.24 0.19 0.46 -0.76 -0.69 0.00 0.00 174.62 174.05 3iac s LEU 269 N 0.27 4.30 0.73 4.42 1.43 -1.26 -5.04 118.68 123.53 3iac s LEU 269 Ca 0.54 0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 3iac s LEU 269 Cb -0.30 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3iac s LEU 269 CO 0.33 0.09 1.10 -0.94 0.23 0.00 0.00 176.35 177.17 3iac s SER 270 N -1.96 5.21 0.36 2.29 1.04 -1.26 -4.88 113.70 114.50 3iac s SER 270 Ca 0.38 1.14 0.05 0.00 0.48 0.00 0.00 55.95 57.99 3iac s SER 270 Cb -0.13 -1.90 0.68 0.00 0.10 0.00 0.00 66.02 64.77 3iac s SER 270 CO 0.20 -1.50 1.95 -0.33 0.98 0.00 0.00 173.24 174.54 3iac h GLU 271 N -0.76 0.56 -0.49 4.02 4.39 -1.99 -1.66 114.58 118.65 3iac h GLU 271 Ca -0.45 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 3iac h GLU 271 Cb 1.26 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3iac h GLU 271 CO 0.63 0.49 0.06 1.25 -1.16 0.00 0.00 179.01 180.28 3iac h LEU 272 N 0.56 0.79 -0.74 1.33 5.85 -1.99 -1.90 115.31 119.22 3iac h LEU 272 Ca 0.13 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3iac h LEU 272 Cb 0.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3iac h LEU 272 CO -0.01 0.87 0.27 -0.33 -0.34 0.00 0.00 178.44 178.90 3iac h GLU 273 N 0.69 1.11 -0.27 1.25 5.08 -1.79 0.28 114.58 120.93 3iac h GLU 273 Ca 0.15 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3iac h GLU 273 Cb 0.43 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3iac h GLU 273 CO 0.01 0.93 0.13 0.82 -1.00 0.00 0.00 179.01 179.90 3iac h ILE 274 N 1.07 1.15 -0.70 3.13 2.04 -1.22 -1.65 117.51 121.33 3iac h ILE 274 Ca 0.24 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3iac h ILE 274 Cb 0.24 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3iac h ILE 274 CO -0.02 0.15 0.43 0.00 0.00 0.00 0.00 178.15 178.71 3iac h ALA 275 N 0.99 0.90 -0.13 1.87 0.00 -0.99 -0.08 119.26 121.81 3iac h ALA 275 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iac h ALA 275 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iac h ALA 275 CO -0.01 0.37 0.06 1.96 0.00 0.00 0.00 179.25 181.62 3iac h GLN 276 N 0.96 0.18 0.18 0.00 4.20 -0.77 -0.82 115.11 119.05 3iac h GLN 276 Ca 0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3iac h GLN 276 Cb -0.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3iac h GLN 276 CO -0.05 0.26 -0.09 0.35 -0.67 0.00 0.00 178.83 178.63 3iac h PHE 277 N 0.07 -0.22 -0.59 2.96 3.04 -1.11 -0.13 116.94 120.96 3iac h PHE 277 Ca 0.04 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.06 3iac h PHE 277 Cb 0.14 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 3iac h PHE 277 CO -0.02 0.07 0.27 1.15 -2.02 0.00 0.00 178.31 177.75 3iac h THR 278 N -0.51 0.86 -0.50 4.41 2.02 -1.05 -0.41 112.91 117.73 3iac h THR 278 Ca -0.02 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3iac h THR 278 Cb 0.39 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3iac h THR 278 CO 0.04 0.09 0.01 0.74 0.37 0.00 0.00 175.52 176.77 3iac h THR 279 N 0.49 1.26 -0.69 3.16 2.02 -1.09 -1.20 112.91 116.86 3iac h THR 279 Ca 0.28 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3iac h THR 279 Cb 0.27 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 3iac h THR 279 CO -0.24 0.37 0.43 0.00 0.37 0.00 0.00 175.52 176.46 3iac h ALA 280 N 0.94 0.89 -0.20 6.16 0.00 -0.34 -0.33 119.26 126.38 3iac h ALA 280 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3iac h ALA 280 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iac h ALA 280 CO 0.02 0.22 -0.09 0.28 0.00 0.00 0.00 179.25 179.68 3iac h VAL 281 N 0.85 1.30 -0.69 0.00 2.07 -0.87 -2.01 116.25 116.91 3iac h VAL 281 Ca 0.27 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3iac h VAL 281 Cb -0.00 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3iac h VAL 281 CO -0.10 0.34 0.21 -0.07 0.02 0.00 0.00 177.57 177.97 3iac h LEU 282 N 0.12 1.00 -0.22 2.57 3.38 -1.01 0.45 115.31 121.60 3iac h LEU 282 Ca 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3iac h LEU 282 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3iac h LEU 282 CO 0.03 0.95 -0.02 0.58 0.09 0.00 0.00 178.44 180.07 3iac h VAL 283 N 1.01 1.27 -0.34 1.22 2.07 -1.07 0.23 116.25 120.62 3iac h VAL 283 Ca 0.22 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3iac h VAL 283 Cb 0.31 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3iac h VAL 283 CO -0.01 0.29 0.22 -0.25 0.02 0.00 0.00 177.57 177.85 3iac h TRP 284 N 0.16 0.43 -0.49 1.57 7.01 -1.24 -1.98 115.95 121.41 3iac h TRP 284 Ca 0.06 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.09 3iac h TRP 284 Cb 0.44 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 3iac h TRP 284 CO 0.04 0.27 0.31 -0.07 -2.79 0.00 0.00 178.44 176.19 3iac h LEU 285 N 0.46 0.51 -0.69 0.65 3.38 -0.77 -1.79 115.31 117.05 3iac h LEU 285 Ca 0.13 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.19 3iac h LEU 285 Cb -0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3iac h LEU 285 CO -0.03 0.36 0.33 1.23 0.09 0.00 0.00 178.44 180.42 3iac h GLY 286 N 0.62 1.03 1.29 0.83 0.00 -0.62 0.12 103.07 106.34 3iac h GLY 286 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3iac h GLY 286 CO -0.07 0.03 0.25 3.21 0.00 0.00 0.00 176.54 179.96 3iac h ARG 287 N 0.55 0.90 -0.46 4.80 3.08 -0.91 0.35 114.38 122.69 3iac h ARG 287 Ca 0.34 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 3iac h ARG 287 Cb 0.38 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3iac h ARG 287 CO -0.28 0.74 -0.17 1.96 -1.07 0.00 0.00 179.97 181.14 3iac h GLN 288 N 0.89 0.94 -0.42 0.04 1.08 -0.29 -1.13 115.11 116.21 3iac h GLN 288 Ca 0.21 -0.39 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 3iac h GLN 288 Cb 0.17 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3iac h GLN 288 CO -0.02 1.05 -0.02 1.88 -0.95 0.00 0.00 178.83 180.77 3iac h TYR 289 N 0.78 0.74 -0.36 2.96 0.05 -0.01 -1.83 116.97 119.30 3iac h TYR 289 Ca 0.11 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 3iac h TYR 289 Cb 0.74 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3iac h TYR 289 CO 0.05 0.71 -0.10 0.00 -1.05 0.00 0.00 178.16 177.77 3iac h ALA 290 N 1.33 0.50 -0.01 3.88 0.00 -0.75 -1.02 119.26 123.19 3iac h ALA 290 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3iac h ALA 290 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iac h ALA 290 CO 0.02 0.36 -0.32 0.00 0.00 0.00 0.00 179.25 179.31 3iac h ALA 291 N 0.82 1.46 -0.01 0.00 0.00 -0.86 -2.87 119.26 117.81 3iac h ALA 291 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iac h ALA 291 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iac h ALA 291 CO 0.04 0.40 -0.47 0.54 0.00 0.00 0.00 179.25 179.76 3iac n ARG 292 N -4.16 0.50 -2.00 0.00 1.74 -0.72 -4.97 116.66 107.06 3iac n ARG 292 Ca -0.02 -0.33 -0.06 0.00 -0.77 0.00 0.00 57.85 56.67 3iac n ARG 292 Cb 0.36 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.21 3.91 -0.13 0.00 -0.50 -4.93 105.19 105.17 3iac n GLY 293 Ca 0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.30 3.50 0.00 1.61 0.52 -0.54 -4.55 118.94 117.18 3iac s TRP 294 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 56.10 56.81 3iac s TRP 294 Cb 0.00 -2.16 0.00 0.00 -1.15 0.00 0.00 33.47 30.16 3iac s TRP 294 CO 0.00 0.03 0.00 0.28 0.02 0.00 0.00 176.95 177.28 3iac n VAL 295 N -1.41 0.00 -3.64 4.03 0.31 -0.57 -4.01 118.33 113.04 3iac n VAL 295 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.28 3iac n VAL 295 Cb 0.55 -1.21 -0.07 0.00 -0.91 0.00 0.00 33.84 32.19 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 1.17 0.35 -0.21 5.55 -0.21 -0.01 -0.64 119.66 125.65 3iac s GLN 297 Ca 0.00 0.50 0.02 0.00 0.02 0.00 0.00 55.36 55.90 3iac s GLN 297 Cb 0.00 0.12 0.04 0.00 1.00 0.00 0.00 33.01 34.17 3iac s GLN 297 CO 0.00 -0.06 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.45 3iac s LEU 298 N 0.74 2.59 -0.48 2.90 1.43 -0.35 -1.17 118.68 124.33 3iac s LEU 298 Ca -0.02 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 52.03 3iac s LEU 298 Cb -0.04 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.85 3iac s LEU 298 CO -0.11 -0.09 0.37 -1.00 0.23 0.00 0.00 176.35 175.75 3iac s HIS 299 N 1.25 3.39 -0.10 0.29 3.76 0.05 -0.32 115.29 123.62 3iac s HIS 299 Ca -0.01 -1.76 -0.02 0.00 -0.15 0.00 0.00 55.06 53.12 3iac s HIS 299 Cb -0.16 -3.55 -0.03 0.00 1.11 0.00 0.00 32.58 29.95 3iac s HIS 299 CO -0.09 -1.00 -0.02 0.42 -0.85 0.00 0.00 174.74 173.20 3iac s ILE 300 N 1.41 4.10 0.00 0.60 1.01 -0.56 -0.67 121.20 127.08 3iac s ILE 300 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3iac s ILE 300 Cb -0.27 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3iac s ILE 300 CO -0.00 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3iac n GLY 301 N 2.47 0.88 3.79 6.18 0.00 -0.41 -0.75 105.19 117.34 3iac n GLY 301 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 2.77 -0.23 4.61 0.00 -1.26 0.03 121.76 125.68 3iac s ALA 302 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3iac s ALA 302 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3iac s ALA 302 CO 0.00 -0.59 -0.15 -1.50 0.00 0.00 0.00 175.76 173.53 3iac s ILE 303 N -2.00 2.15 0.17 0.00 2.07 -0.53 -4.56 121.20 118.50 3iac s ILE 303 Ca 0.69 -1.32 0.06 0.00 -1.41 0.00 0.00 60.65 58.67 3iac s ILE 303 Cb -0.19 -2.11 -0.04 0.00 0.13 0.00 0.00 42.46 40.25 3iac s ILE 303 CO 0.26 0.22 0.08 -0.13 -1.91 0.00 0.00 174.94 173.46 3iac s ARG 304 N 1.19 2.70 -1.24 3.50 0.52 -1.26 -1.32 118.95 123.04 3iac s ARG 304 Ca -0.03 -0.98 -0.07 0.00 -0.52 0.00 0.00 55.73 54.13 3iac s ARG 304 Cb -0.17 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 3iac s ARG 304 CO -0.08 0.47 0.71 0.09 0.02 0.00 0.00 175.30 176.51 3iac n ASN 305 N -0.30 -2.93 0.23 0.23 3.02 -1.24 -4.90 115.26 109.38 3iac n ASN 305 Ca -0.09 -0.90 0.11 0.00 -0.03 0.00 0.00 54.58 53.68 3iac n ASN 305 Cb 0.55 -3.84 0.42 0.00 -0.61 0.00 0.00 39.78 36.30 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 -1.79 0.00 -3.53 6.41 2.35 -1.69 -3.41 115.58 113.92 3iac h ASN 306 Ca -0.63 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 54.41 3iac h ASN 306 Cb 1.36 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.43 3iac h ASN 306 CO 0.53 0.17 -0.53 0.21 -1.65 0.00 0.00 177.43 176.16 3iac s ASN 307 N -6.11 5.44 0.09 5.81 3.84 -1.26 -4.97 114.94 117.78 3iac s ASN 307 Ca 0.02 -1.50 -0.17 0.00 0.21 0.00 0.00 52.86 51.42 3iac s ASN 307 Cb 0.09 -1.91 -0.08 0.00 -0.55 0.00 0.00 41.25 38.80 3iac s ASN 307 CO 0.63 -0.47 1.47 0.74 -2.79 0.00 0.00 177.10 176.68 3iac h THR 308 N 6.18 1.29 0.00 -5.21 2.02 -2.00 0.48 112.91 115.67 3iac h THR 308 Ca -0.21 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 65.81 3iac h THR 308 Cb 1.07 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3iac h THR 308 CO 0.70 0.37 0.00 -1.14 0.37 0.00 0.00 175.52 175.81 3iac n ARG 309 N -4.47 0.00 0.00 6.66 0.63 -1.26 -1.58 116.66 116.64 3iac n ARG 309 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3iac n ARG 309 Cb 0.34 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.33 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 0.09 0.00 0.21 -0.14 -0.00 0.16 -3.36 117.46 114.41 3iac n PHE 311 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 3iac n PHE 311 Cb 0.00 0.00 0.44 0.00 -0.00 0.00 0.00 39.48 39.92 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 0.00 0.06 -4.13 3.08 -1.56 0.15 114.38 111.99 3iac h ARG 312 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3iac h ARG 312 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3iac h ARG 312 CO 0.00 0.31 -2.03 1.28 -1.07 0.00 0.00 179.97 178.46 3iac n LEU 313 N -3.74 2.02 -0.00 3.04 4.77 -1.21 -4.69 117.00 117.19 3iac n LEU 313 Ca -0.01 0.19 0.03 0.00 -0.03 0.00 0.00 56.01 56.18 3iac n LEU 313 Cb 0.41 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 3iac n LEU 313 CO 0.36 0.72 -0.31 0.18 -1.33 0.00 0.00 177.39 177.00 3iac n LEU 314 N -3.27 0.11 0.00 2.23 4.77 -1.22 -5.13 117.00 114.48 3iac n LEU 314 Ca -0.30 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3iac n LEU 314 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 3iac n LEU 314 CO 0.41 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3iac n GLY 315 N 1.71 -1.91 3.85 -0.72 0.00 0.52 -4.88 105.19 103.75 3iac n GLY 315 Ca -0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 2.51 -1.41 1.61 0.04 -1.26 -4.32 135.00 132.17 3iac s PRO 316 Ca 0.00 0.53 -0.08 0.00 0.04 0.00 0.00 61.00 61.49 3iac s PRO 316 Cb 0.00 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3iac s PRO 316 CO 0.00 -1.30 0.94 -3.47 0.04 0.00 0.00 177.00 173.22 3iac n ASP 317 N -3.20 -3.87 -0.29 6.66 2.03 -1.26 -4.91 116.55 111.71 3iac n ASP 317 Ca 0.07 -0.74 0.07 0.00 0.52 0.00 0.00 54.79 54.72 3iac n ASP 317 Cb 0.57 -4.23 0.14 0.00 -0.72 0.00 0.00 41.12 36.87 3iac n ASP 317 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3iac n THR 318 N -4.59 1.71 -0.22 5.18 -2.24 -1.26 -4.97 114.28 107.89 3iac n THR 318 Ca -0.08 -1.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.90 3iac n THR 318 Cb 0.59 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.85 1.05 0.57 3.38 0.00 -1.26 -4.92 105.19 103.15 3iac n GLY 319 Ca 0.13 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.06 0.50 -4.04 1.61 3.72 -1.26 -4.84 117.46 111.10 3iac n PHE 320 Ca 0.00 -1.07 -0.30 0.00 -0.05 0.00 0.00 57.45 56.03 3iac n PHE 320 Cb 0.02 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.23 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 -2.50 5.62 0.00 4.37 -0.00 -1.26 -2.05 116.67 120.85 3iac s ASP 321 Ca 0.38 0.02 0.00 0.00 -0.00 0.00 0.00 52.55 52.95 3iac s ASP 321 Cb 0.33 -1.54 0.00 0.00 -0.00 0.00 0.00 42.92 41.71 3iac s ASP 321 CO 0.04 0.17 0.00 -1.54 -0.00 0.00 0.00 175.17 173.84 3iac n SER 322 N 0.42 0.00 -4.67 0.27 3.41 -0.43 -5.01 113.62 107.61 3iac n SER 322 Ca -0.08 -0.52 -0.40 0.00 -0.26 0.00 0.00 58.87 57.61 3iac n SER 322 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.15 5.00 0.78 -1.33 1.01 -1.26 -1.46 121.20 121.79 3iac s ILE 323 Ca 0.00 1.31 -0.04 0.00 0.00 0.00 0.00 60.65 61.92 3iac s ILE 323 Cb 0.00 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.62 3iac s ILE 323 CO 0.00 0.12 1.07 -0.83 0.00 0.00 0.00 174.94 175.30 3iac s GLY 324 N 1.11 1.76 -0.32 6.18 0.00 0.10 -4.73 107.32 111.43 3iac s GLY 324 Ca 0.32 -1.63 0.16 0.00 0.00 0.00 0.00 44.72 43.57 3iac s GLY 324 CO 0.12 -1.01 1.38 2.09 0.00 0.00 0.00 173.10 175.68 3iac n ASP 325 N -3.05 -0.40 -4.81 1.64 5.75 -1.26 -4.61 116.55 109.81 3iac n ASP 325 Ca 0.15 -2.18 -0.31 0.00 -0.01 0.00 0.00 54.79 52.44 3iac n ASP 325 Cb 0.60 0.28 0.04 0.00 -1.03 0.00 0.00 41.12 41.02 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 -2.08 5.46 0.14 -1.12 0.01 -1.26 -5.00 114.94 111.09 3iac s ASN 326 Ca 0.16 1.68 -0.30 0.00 -0.71 0.00 0.00 52.86 53.69 3iac s ASN 326 Cb 0.40 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.49 3iac s ASN 326 CO -0.09 -1.39 1.03 0.20 -1.51 0.00 0.00 177.10 175.34 3iac s ASN 327 N -3.50 7.38 0.00 -1.22 0.02 -1.26 -4.96 114.94 111.40 3iac s ASN 327 Ca 0.60 1.94 0.00 0.00 -1.02 0.00 0.00 52.86 54.37 3iac s ASN 327 Cb -0.15 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.53 3iac s ASN 327 CO 0.50 -0.15 0.00 2.30 0.02 0.00 0.00 177.10 179.77 3iac n ILE 328 N 2.64 0.00 -0.23 0.60 -5.35 -1.26 -4.89 119.36 110.88 3iac n ILE 328 Ca 0.03 -0.22 -0.06 0.00 -0.27 0.00 0.00 62.75 62.23 3iac n ILE 328 Cb 0.48 0.77 0.04 0.00 -1.74 0.00 0.00 39.64 39.19 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 0.78 0.29 7.28 4.64 -1.98 -0.77 113.55 123.78 3iac h SER 329 Ca 0.00 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3iac h SER 329 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3iac h SER 329 CO 0.00 0.62 -0.14 -0.25 -0.87 0.00 0.00 176.83 176.19 3iac h TRP 330 N 0.87 -0.36 -0.90 4.77 7.01 -1.99 -0.13 115.95 125.22 3iac h TRP 330 Ca 0.23 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.22 3iac h TRP 330 Cb -0.01 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 3iac h TRP 330 CO -0.01 -0.11 0.58 0.00 -2.79 0.00 0.00 178.44 176.11 3iac h ALA 331 N 0.10 1.14 -0.30 2.65 0.00 -1.88 -1.26 119.26 119.71 3iac h ALA 331 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3iac h ALA 331 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iac h ALA 331 CO 0.06 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.23 3iac h LEU 332 N 1.23 0.43 0.14 0.00 5.85 -1.07 -0.40 115.31 121.48 3iac h LEU 332 Ca 0.33 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3iac h LEU 332 Cb -0.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3iac h LEU 332 CO -0.07 0.51 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.20 3iac h SER 333 N 0.33 -0.16 -0.28 1.25 0.87 -0.69 -1.85 113.55 113.01 3iac h SER 333 Ca 0.10 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3iac h SER 333 Cb 0.23 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3iac h SER 333 CO -0.00 -0.11 0.04 0.03 -0.53 0.00 0.00 176.83 176.25 3iac h ARG 334 N -0.19 0.58 -0.20 2.24 2.47 -1.15 -0.47 114.38 117.66 3iac h ARG 334 Ca -0.02 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 3iac h ARG 334 Cb 0.14 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 3iac h ARG 334 CO 0.03 0.57 -0.04 1.25 0.56 0.00 0.00 179.97 182.34 3iac h LEU 335 N 0.56 0.38 -0.26 3.04 5.85 -0.90 -0.81 115.31 123.17 3iac h LEU 335 Ca 0.12 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 3iac h LEU 335 Cb 0.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3iac h LEU 335 CO 0.01 0.64 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.53 3iac h LEU 336 N 0.11 0.58 -1.49 2.25 3.38 -1.16 -2.98 115.31 116.00 3iac h LEU 336 Ca 0.05 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3iac h LEU 336 Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3iac h LEU 336 CO 0.02 0.87 0.10 -0.78 0.09 0.00 0.00 178.44 178.74 3iac h ASP 337 N 0.28 0.39 0.00 -0.43 3.58 -1.10 0.10 116.42 119.24 3iac h ASP 337 Ca 0.05 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3iac h ASP 337 Cb 0.67 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3iac h ASP 337 CO 0.04 0.38 0.00 -1.20 -2.88 0.00 0.00 179.24 175.59 3iac n SER 338 N -4.39 0.05 0.00 2.28 7.64 -0.31 -0.53 113.62 118.36 3iac n SER 338 Ca 0.01 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3iac n SER 338 Cb 0.15 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.09 6.43 2.03 0.02 -4.60 116.55 120.74 3iac n ASP 340 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 3iac n ASP 340 Cb 0.01 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 40.82 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 1.04 -0.57 5.18 3.04 -1.07 0.35 116.25 124.22 3iac h VAL 341 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3iac h VAL 341 Cb 0.00 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 3iac h VAL 341 CO 0.00 0.11 0.00 0.35 -1.01 0.00 0.00 177.57 177.02 3iac n THR 342 N -4.47 1.05 -3.37 3.17 -2.24 -1.26 -4.91 114.28 102.25 3iac n THR 342 Ca 0.07 -0.85 -0.19 0.00 -2.27 0.00 0.00 64.05 60.81 3iac n THR 342 Cb 0.18 0.26 0.06 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.09 -5.48 -0.92 3.42 5.15 0.12 -4.95 115.26 113.69 3iac n ASN 343 Ca 0.20 -0.43 -0.00 0.00 -0.60 0.00 0.00 54.58 53.75 3iac n ASN 343 Cb 0.59 -4.11 0.17 0.00 -0.53 0.00 0.00 39.78 35.90 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 -4.09 1.99 -3.19 1.20 1.02 -1.26 -4.99 120.64 111.32 3iac n GLU 344 Ca 0.01 -3.47 -0.39 0.00 -0.02 0.00 0.00 57.16 53.29 3iac n GLU 344 Cb 0.55 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 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 -3.27 4.24 0.80 -4.62 2.96 -1.26 -4.07 118.68 113.46 3iac s LEU 345 Ca 0.41 0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 55.13 3iac s LEU 345 Cb 0.38 -2.85 0.13 0.00 0.50 0.00 0.00 46.19 44.35 3iac s LEU 345 CO -0.05 -0.12 1.13 -2.16 -1.32 0.00 0.00 176.35 173.83 3iac s PRO 346 N 1.11 1.52 0.18 0.98 0.04 -1.26 -4.88 135.00 132.70 3iac s PRO 346 Ca 0.29 -0.49 -0.33 0.00 0.04 0.00 0.00 61.00 60.51 3iac s PRO 346 Cb -0.16 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 3iac s PRO 346 CO 0.12 -1.72 1.40 1.63 0.04 0.00 0.00 177.00 178.48 3iac n LYS 347 N -3.22 1.79 -4.21 4.56 5.02 -1.26 -4.90 118.16 115.95 3iac n LYS 347 Ca 0.12 0.64 -0.17 0.00 -2.02 0.00 0.00 58.31 56.89 3iac n LYS 347 Cb 0.60 -2.30 -0.15 0.00 -0.02 0.00 0.00 35.03 33.17 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 0.26 0.48 -0.12 -0.18 2.01 -0.81 -4.44 115.64 112.85 3iac s THR 348 Ca 0.74 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.52 3iac s THR 348 Cb -0.74 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3iac s THR 348 CO 0.46 0.14 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.68 3iac s ILE 349 N -0.07 2.02 -0.11 1.82 1.01 -1.26 -0.33 121.20 124.28 3iac s ILE 349 Ca 0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3iac s ILE 349 Cb -0.03 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3iac s ILE 349 CO -0.00 0.55 -0.04 -0.76 0.00 0.00 0.00 174.94 174.69 3iac s LEU 350 N 0.60 3.30 0.01 2.97 1.43 -0.52 -1.21 118.68 125.26 3iac s LEU 350 Ca -0.13 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3iac s LEU 350 Cb -0.17 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3iac s LEU 350 CO 0.03 0.27 -0.16 -0.31 0.23 0.00 0.00 176.35 176.42 3iac s TYR 351 N -0.26 1.42 -0.05 0.29 1.51 0.57 -0.73 117.35 120.10 3iac s TYR 351 Ca 0.05 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3iac s TYR 351 Cb -0.13 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 3iac s TYR 351 CO 0.02 0.02 -0.23 0.00 -1.11 0.00 0.00 175.55 174.25 3iac h LEU 353 N 6.03 0.00 -8.71 0.00 5.85 -1.24 -3.42 115.31 113.81 3iac h LEU 353 Ca -0.34 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.72 3iac h LEU 353 Cb 1.17 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.03 3iac h LEU 353 CO 0.47 0.99 -0.21 0.21 -0.34 0.00 0.00 178.44 179.56 3iac s ASN 354 N -6.60 6.22 0.39 1.25 3.84 -1.26 -4.82 114.94 113.96 3iac s ASN 354 Ca 0.00 -0.25 0.27 0.00 0.21 0.00 0.00 52.86 53.09 3iac s ASN 354 Cb 0.10 -2.22 1.41 0.00 -0.55 0.00 0.00 41.25 39.98 3iac s ASN 354 CO 0.82 -0.42 1.82 1.55 -2.79 0.00 0.00 177.10 178.08 3iac h PRO 355 N 8.51 0.00 0.00 0.43 0.13 -1.96 -0.72 132.00 138.39 3iac h PRO 355 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3iac h PRO 355 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3iac h PRO 355 CO 0.73 0.00 -0.00 0.07 -0.23 0.00 0.00 178.00 178.57 3iac h ARG 356 N 0.00 0.00 -0.15 0.86 0.11 -1.98 -1.13 114.38 112.09 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 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 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 -3.18 2.14 -0.14 0.08 8.00 -0.28 -4.55 116.55 118.62 3iac n ASP 357 Ca -0.03 -1.75 -0.04 0.00 0.71 0.00 0.00 54.79 53.68 3iac n ASP 357 Cb 0.10 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.13 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 3.00 -0.46 0.23 -2.24 2.35 -1.36 -1.28 115.58 115.82 3iac h ASN 358 Ca 0.00 0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 3iac h ASN 358 Cb 0.65 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 3iac h ASN 358 CO 0.00 -0.16 -0.51 -0.33 -1.65 0.00 0.00 177.43 174.77 3iac h GLU 359 N -0.02 0.32 -0.09 0.81 3.07 -1.82 -0.14 114.58 116.70 3iac h GLU 359 Ca 0.22 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3iac h GLU 359 Cb 0.35 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3iac h GLU 359 CO -0.47 0.76 -0.01 0.28 -1.40 0.00 0.00 179.01 178.17 3iac h VAL 360 N 0.25 0.93 -0.18 3.13 2.07 -1.68 -1.62 116.25 119.15 3iac h VAL 360 Ca 0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3iac h VAL 360 Cb 0.99 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3iac h VAL 360 CO 0.08 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.55 3iac h LEU 361 N 0.02 0.37 -1.61 2.57 4.07 -1.08 -3.15 115.31 116.50 3iac h LEU 361 Ca 0.04 -0.39 0.08 0.00 0.08 0.00 0.00 57.88 57.70 3iac h LEU 361 Cb 0.06 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 3iac h LEU 361 CO -0.08 0.67 0.39 0.00 -1.08 0.00 0.00 178.44 178.34 3iac h ALA 362 N 0.71 1.94 -0.39 1.53 0.00 -0.96 -2.31 119.26 119.78 3iac h ALA 362 Ca 0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 3iac h ALA 362 Cb 0.52 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3iac h ALA 362 CO 0.02 -0.05 0.31 0.25 0.00 0.00 0.00 179.25 179.78 3iac n THR 363 N -4.47 2.75 0.00 0.00 -2.24 -0.62 -4.20 114.28 105.49 3iac n THR 363 Ca 0.09 -1.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 3iac n THR 363 Cb 0.31 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 0.70 0.00 0.31 2.28 -5.35 -0.87 -3.83 119.36 112.59 3iac n ILE 365 Ca 0.29 0.00 0.19 0.00 -0.27 0.00 0.00 62.75 62.96 3iac n ILE 365 Cb 0.58 0.00 0.95 0.00 -1.74 0.00 0.00 39.64 39.43 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 2.00 3.28 0.00 -1.86 -2.40 103.07 104.09 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 0.00 3.43 0.00 0.00 0.00 176.54 179.97 3iac h ASN 367 N 0.00 0.00 0.00 0.19 2.35 -1.95 -3.37 115.58 112.80 3iac h ASN 367 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3iac h ASN 367 Cb 0.18 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.38 3iac h ASN 367 CO 0.00 0.00 -0.73 0.49 -1.65 0.00 0.00 177.43 175.54 3iac n PHE 368 N -2.94 0.00 -1.20 1.19 3.72 -0.90 -5.08 117.46 112.25 3iac n PHE 368 Ca 0.03 -1.04 -0.29 0.00 -0.05 0.00 0.00 57.45 56.10 3iac n PHE 368 Cb 0.45 -0.20 0.15 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.05 0.10 -1.08 -1.52 -1.24 -4.72 119.66 110.46 3iac s GLN 369 Ca 0.36 0.74 -0.05 0.00 -1.95 0.00 0.00 55.36 54.45 3iac s GLN 369 Cb 0.37 -1.79 -0.02 0.00 -0.22 0.00 0.00 33.01 31.35 3iac s GLN 369 CO -0.11 -2.36 0.13 0.20 -0.25 0.00 0.00 175.29 172.90 3iac s GLY 370 N -3.44 0.46 0.52 3.09 0.00 -1.26 -5.04 107.32 101.65 3iac s GLY 370 Ca 0.64 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.18 3iac s GLY 370 CO 0.57 -1.05 1.02 2.56 0.00 0.00 0.00 173.10 176.20 3iac s PRO 371 N -3.94 3.73 0.00 2.90 0.04 -1.26 -4.10 135.00 132.37 3iac s PRO 371 Ca 0.12 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.35 3iac s PRO 371 Cb 0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3iac s PRO 371 CO -0.06 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.92 3iac n GLY 372 N -0.84 0.87 2.88 0.56 0.00 -1.26 -5.01 105.19 102.39 3iac n GLY 372 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.52 0.08 -0.72 -0.61 2.07 -1.26 -5.10 121.20 112.14 3iac s ILE 373 Ca 0.00 -0.04 -0.27 0.00 -1.41 0.00 0.00 60.65 58.94 3iac s ILE 373 Cb 0.00 -0.08 0.03 0.00 0.13 0.00 0.00 42.46 42.55 3iac s ILE 373 CO 0.00 0.03 1.24 0.00 -1.91 0.00 0.00 174.94 174.29 3iac s ALA 374 N 0.01 2.81 -0.38 1.50 0.00 -1.26 -4.17 121.76 120.28 3iac s ALA 374 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 3iac s ALA 374 Cb -0.01 -4.20 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 3iac s ALA 374 CO -0.00 -3.20 0.34 0.41 0.00 0.00 0.00 175.76 173.31 3iac n GLY 375 N 5.36 -0.12 0.23 0.00 0.00 -1.26 -4.95 105.19 104.45 3iac n GLY 375 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.25 0.16 -5.19 1.61 3.64 -1.85 -3.37 116.57 111.31 3iac h LYS 376 Ca -0.17 -0.01 -0.64 0.00 -1.27 0.00 0.00 60.65 58.56 3iac h LYS 376 Cb 1.09 -0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 32.66 3iac h LYS 376 CO 0.16 0.10 -0.64 0.08 -2.27 0.00 0.00 179.45 176.88 3iac s VAL 377 N -6.13 4.09 0.20 2.00 1.01 -1.26 -1.92 120.40 118.39 3iac s VAL 377 Ca -0.13 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3iac s VAL 377 Cb 0.18 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3iac s VAL 377 CO 0.74 0.45 -0.12 -1.10 0.00 0.00 0.00 175.10 175.06 3iac s GLN 378 N 0.73 1.95 -0.32 2.72 -1.52 0.56 -4.89 119.66 118.89 3iac s GLN 378 Ca 0.00 -1.36 -0.09 0.00 -1.95 0.00 0.00 55.36 51.96 3iac s GLN 378 Cb -0.14 -2.07 0.01 0.00 -0.22 0.00 0.00 33.01 30.59 3iac s GLN 378 CO 0.02 0.42 0.14 0.12 -0.25 0.00 0.00 175.29 175.74 3iac s PHE 379 N -1.80 3.19 0.65 0.91 5.36 -1.26 -1.43 117.98 123.60 3iac s PHE 379 Ca 0.25 -0.84 -0.15 0.00 -0.96 0.00 0.00 56.93 55.22 3iac s PHE 379 Cb -0.08 -2.34 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 3iac s PHE 379 CO 0.14 -0.56 1.12 0.20 -1.46 0.00 0.00 175.22 174.67 3iac s GLY 380 N 1.55 2.22 0.59 13.12 0.00 0.09 -4.93 107.32 119.97 3iac s GLY 380 Ca 0.03 0.60 -0.19 0.00 0.00 0.00 0.00 44.72 45.16 3iac s GLY 380 CO 0.05 0.96 0.99 -1.26 0.00 0.00 0.00 173.10 173.84 3iac n SER 381 N -2.32 0.89 -4.57 1.64 2.88 -1.26 -4.77 113.62 106.12 3iac n SER 381 Ca 0.11 0.83 -0.65 0.00 -1.33 0.00 0.00 58.87 57.83 3iac n SER 381 Cb 0.52 -1.40 -0.09 0.00 -0.75 0.00 0.00 64.21 62.49 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 1.25 0.14 3.75 0.46 0.00 -1.26 -4.87 105.19 104.66 3iac n GLY 382 Ca 0.13 0.95 -0.36 0.00 0.00 0.00 0.00 46.02 46.74 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 2.60 3.48 0.00 1.61 -0.00 -1.26 -3.37 118.94 122.00 3iac s TRP 383 Ca 1.00 0.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.67 3iac s TRP 383 Cb -1.43 -2.27 0.00 0.00 -0.00 0.00 0.00 33.47 29.77 3iac s TRP 383 CO 0.77 0.31 0.00 1.87 -0.00 0.00 0.00 176.95 179.90 3iac n TRP 384 N 3.32 0.00 0.13 5.86 -0.00 -1.26 -1.12 117.44 124.37 3iac n TRP 384 Ca -0.13 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.53 3iac n TRP 384 Cb 0.52 0.00 0.72 0.00 -0.00 0.00 0.00 31.31 32.55 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 0.35 116.94 121.28 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 0.00 -0.16 0.09 -0.60 0.00 0.00 178.31 177.64 3iac n ASN 386 N -4.26 0.68 -3.92 2.17 3.02 -0.28 -4.47 115.26 108.20 3iac n ASN 386 Ca 0.04 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.47 3iac n ASN 386 Cb 0.39 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.83 4.23 -3.72 6.41 2.03 0.11 -4.06 116.55 120.73 3iac n ASP 387 Ca 0.14 -2.89 -0.08 0.00 0.52 0.00 0.00 54.79 52.48 3iac n ASP 387 Cb 0.30 -1.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.03 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 3.03 1.81 0.15 -0.67 1.03 -1.26 -4.94 119.66 118.80 3iac s GLN 388 Ca 0.47 -1.17 -0.22 0.00 0.04 0.00 0.00 55.36 54.49 3iac s GLN 388 Cb 0.11 0.57 0.03 0.00 0.03 0.00 0.00 33.01 33.75 3iac s GLN 388 CO -0.05 -0.81 1.64 -0.22 -2.54 0.00 0.00 175.29 173.31 3iac h LYS 389 N 2.07 -0.21 0.04 9.60 3.64 -1.97 -2.58 116.57 127.16 3iac h LYS 389 Ca -0.23 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3iac h LYS 389 Cb 1.25 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3iac h LYS 389 CO 0.30 -0.14 -0.02 0.22 -2.27 0.00 0.00 179.45 177.54 3iac h ASP 390 N -0.22 -0.04 0.00 4.20 3.58 -1.99 0.25 116.42 122.21 3iac h ASP 390 Ca 0.14 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3iac h ASP 390 Cb 0.43 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3iac h ASP 390 CO -0.38 -0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.58 3iac n GLY 391 N -1.07 0.00 0.41 -0.78 0.00 -0.97 -1.31 105.19 101.47 3iac n GLY 391 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.47 0.00 -0.06 0.99 4.77 0.08 -1.20 117.00 122.04 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 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3iac n LEU 393 CO 0.00 0.00 0.49 0.03 -1.33 0.00 0.00 177.39 176.58 3iac h ARG 394 N 0.00 0.61 -0.59 3.23 3.08 -1.44 -1.43 114.38 117.84 3iac h ARG 394 Ca 0.00 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 3iac h ARG 394 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3iac h ARG 394 CO 0.00 1.00 0.23 0.37 -1.07 0.00 0.00 179.97 180.49 3iac h GLN 395 N 0.29 0.89 -0.40 0.04 -0.00 -1.41 -2.28 115.11 112.24 3iac h GLN 395 Ca 0.01 -0.17 -0.08 0.00 -0.00 0.00 0.00 58.65 58.42 3iac h GLN 395 Cb 0.96 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.28 3iac h GLN 395 CO 0.08 0.77 -0.07 -0.07 0.00 0.00 0.00 178.83 179.55 3iac h LEU 396 N 0.82 0.66 -0.32 -2.39 3.38 -1.81 -1.80 115.31 113.86 3iac h LEU 396 Ca 0.20 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3iac h LEU 396 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3iac h LEU 396 CO -0.01 0.77 0.00 -0.08 0.09 0.00 0.00 178.44 179.21 3iac h GLU 397 N 0.63 0.57 -0.24 1.13 4.57 -0.97 -0.32 114.58 119.95 3iac h GLU 397 Ca 0.12 -0.18 -0.17 0.00 -1.18 0.00 0.00 59.36 57.94 3iac h GLU 397 Cb 0.49 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3iac h GLU 397 CO 0.03 0.70 -0.54 1.96 -1.18 0.00 0.00 179.01 179.97 3iac h GLN 398 N 0.38 0.72 -0.59 1.92 1.08 -1.28 -1.06 115.11 116.28 3iac h GLN 398 Ca 0.09 -0.46 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 3iac h GLN 398 Cb 0.44 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 3iac h GLN 398 CO 0.02 1.08 0.25 1.25 -0.95 0.00 0.00 178.83 180.48 3iac h LEU 399 N 0.56 0.79 -0.37 1.46 5.85 -1.29 -3.09 115.31 119.21 3iac h LEU 399 Ca 0.01 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3iac h LEU 399 Cb 1.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3iac h LEU 399 CO 0.11 0.73 0.20 0.28 -0.34 0.00 0.00 178.44 179.42 3iac h SER 400 N 0.80 0.47 0.00 1.25 0.02 -0.80 0.20 113.55 115.49 3iac h SER 400 Ca 0.20 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3iac h SER 400 Cb 0.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3iac h SER 400 CO -0.02 0.43 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 3iac n GLN 401 N -4.74 0.74 0.00 3.45 1.13 -0.42 -4.64 117.38 112.89 3iac n GLN 401 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3iac n GLN 401 Cb 0.09 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.39 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 0.22 0.00 3.05 1.08 0.00 0.70 -5.09 105.19 105.15 3iac n GLY 403 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.36 0.36 0.99 1.43 -1.24 -4.98 118.68 119.61 3iac s LEU 404 Ca 0.00 -1.89 0.08 0.00 -1.03 0.00 0.00 54.13 51.29 3iac s LEU 404 Cb 0.00 -1.62 0.79 0.00 0.03 0.00 0.00 46.19 45.39 3iac s LEU 404 CO 0.00 -0.33 1.92 0.25 0.23 0.00 0.00 176.35 178.43 3iac h LEU 405 N 7.69 0.64 -2.12 1.79 5.85 -1.83 -2.36 115.31 124.97 3iac h LEU 405 Ca -0.10 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.72 3iac h LEU 405 Cb 1.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3iac h LEU 405 CO 0.51 0.38 0.29 0.77 -0.34 0.00 0.00 178.44 180.06 3iac h SER 406 N 0.71 0.00 -0.52 1.25 4.64 -1.97 -0.76 113.55 116.90 3iac h SER 406 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3iac h SER 406 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3iac h SER 406 CO -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.82 3iac n GLN 407 N -3.80 2.59 -1.93 4.77 6.02 -0.89 -4.71 117.38 119.42 3iac n GLN 407 Ca 0.04 -2.42 -0.42 0.00 -0.01 0.00 0.00 57.00 54.19 3iac n GLN 407 Cb 0.44 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.27 2.56 0.43 1.08 5.36 -0.29 -4.82 117.98 121.03 3iac s PHE 408 Ca 0.42 0.39 0.26 0.00 -0.96 0.00 0.00 56.93 57.04 3iac s PHE 408 Cb 0.23 -3.95 1.42 0.00 -0.34 0.00 0.00 43.02 40.38 3iac s PHE 408 CO 0.32 -3.75 2.07 -0.39 -1.46 0.00 0.00 175.22 172.01 3iac h VAL 409 N 4.64 0.63 0.00 3.12 -1.51 -1.89 -3.40 116.25 117.84 3iac h VAL 409 Ca -0.43 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 3iac h VAL 409 Cb 1.20 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3iac h VAL 409 CO 0.93 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 177.99 3iac n GLY 410 N -0.77 1.06 0.00 5.19 0.00 -1.26 -3.95 105.19 105.46 3iac n GLY 410 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.08 0.99 -0.00 -1.26 -4.37 117.00 112.44 3iac n LEU 412 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 3iac n LEU 412 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.49 3iac n LEU 412 CO 0.00 0.00 0.40 0.71 -0.00 0.00 0.00 177.39 178.50 3iac h THR 413 N 1.45 1.41 -3.27 1.47 1.35 -1.91 -3.47 112.91 109.95 3iac h THR 413 Ca 0.00 -2.16 -0.29 0.00 -0.55 0.00 0.00 66.41 63.40 3iac h THR 413 Cb 0.00 2.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.52 3iac h THR 413 CO 0.00 0.64 -0.36 -0.67 -0.25 0.00 0.00 175.52 174.88 3iac n ASP 414 N -3.81 -4.34 -4.61 5.36 2.03 -0.77 -4.94 116.55 105.47 3iac n ASP 414 Ca -0.03 0.17 -0.24 0.00 0.52 0.00 0.00 54.79 55.21 3iac n ASP 414 Cb 0.68 -3.71 -0.08 0.00 -0.72 0.00 0.00 41.12 37.29 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 4.38 0.00 1.67 0.15 -1.26 -4.56 113.70 112.01 3iac s SER 415 Ca 0.00 -0.65 0.23 0.00 0.70 0.00 0.00 55.95 56.23 3iac s SER 415 Cb 0.00 -0.76 0.17 0.00 -1.71 0.00 0.00 66.02 63.71 3iac s SER 415 CO 0.00 0.04 1.21 -2.11 1.20 0.00 0.00 173.24 173.58 3iac n ARG 416 N -0.54 2.11 -3.86 5.44 1.85 -1.26 -0.14 116.66 120.26 3iac n ARG 416 Ca -0.08 -1.81 -0.36 0.00 -1.00 0.00 0.00 57.85 54.60 3iac n ARG 416 Cb 0.58 -1.44 -0.07 0.00 -1.05 0.00 0.00 32.46 30.48 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 -1.92 6.27 0.07 2.89 0.15 -1.26 -4.60 113.70 115.30 3iac s SER 417 Ca 0.26 0.38 0.18 0.00 0.70 0.00 0.00 55.95 57.47 3iac s SER 417 Cb 0.19 -2.05 0.75 0.00 -1.71 0.00 0.00 66.02 63.20 3iac s SER 417 CO 0.30 0.34 1.56 0.49 1.20 0.00 0.00 173.24 177.13 3iac n PHE 418 N 2.47 0.23 -0.16 3.44 3.72 -1.26 -2.46 117.46 123.44 3iac n PHE 418 Ca -0.19 0.09 0.07 0.00 -0.05 0.00 0.00 57.45 57.37 3iac n PHE 418 Cb 0.54 -0.65 0.28 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.71 3.93 -0.02 4.37 4.77 -1.26 -4.43 117.00 122.65 3iac n LEU 419 Ca 0.03 -1.98 0.13 0.00 -0.03 0.00 0.00 56.01 54.16 3iac n LEU 419 Cb 0.20 -0.53 0.36 0.00 -2.33 0.00 0.00 43.42 41.12 3iac n LEU 419 CO 0.16 0.63 0.61 -1.54 -1.33 0.00 0.00 177.39 175.92 3iac n SER 420 N 0.77 0.41 0.31 -1.43 3.41 -1.03 -4.10 113.62 111.95 3iac n SER 420 Ca 0.20 -0.12 0.21 0.00 -0.26 0.00 0.00 58.87 58.89 3iac n SER 420 Cb 0.76 0.05 1.05 0.00 -0.26 0.00 0.00 64.21 65.81 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 0.09 0.00 0.00 7.33 0.05 -1.83 0.17 116.97 122.77 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 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 3iac h TYR 421 CO 0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 3iac n THR 422 N -2.98 0.88 0.21 -2.88 -2.24 -1.26 -1.43 114.28 104.57 3iac n THR 422 Ca -0.02 0.33 0.05 0.00 -2.27 0.00 0.00 64.05 62.14 3iac n THR 422 Cb 0.11 -1.28 0.44 0.00 -2.10 0.00 0.00 70.33 67.51 3iac n THR 422 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3iac h ARG 423 N 0.00 0.00 -0.22 -0.78 3.08 -0.97 -0.25 114.38 115.24 3iac h ARG 423 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3iac h ARG 423 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3iac h ARG 423 CO 0.00 0.29 -0.38 0.45 -1.07 0.00 0.00 179.97 179.26 3iac h HIS 424 N 0.00 0.82 -0.44 3.04 3.86 -1.41 -1.69 115.15 119.32 3iac h HIS 424 Ca -0.00 -0.29 0.06 0.00 -1.16 0.00 0.00 60.37 58.98 3iac h HIS 424 Cb 0.54 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 3iac h HIS 424 CO 0.00 1.04 0.14 1.49 0.86 0.00 0.00 177.93 181.46 3iac h GLU 425 N 0.36 0.29 -0.07 2.45 4.81 -1.31 -0.04 114.58 121.06 3iac h GLU 425 Ca 0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3iac h GLU 425 Cb 0.98 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3iac h GLU 425 CO 0.09 0.19 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.61 3iac h TYR 426 N 0.29 -0.05 -0.37 0.92 3.20 -1.04 -0.81 116.97 119.13 3iac h TYR 426 Ca 0.21 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3iac h TYR 426 Cb 0.23 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3iac h TYR 426 CO -0.17 -0.04 0.16 0.35 -1.64 0.00 0.00 178.16 176.82 3iac h PHE 427 N -0.01 0.29 -0.75 -3.82 3.57 -0.99 -2.10 116.94 113.14 3iac h PHE 427 Ca 0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3iac h PHE 427 Cb 0.06 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3iac h PHE 427 CO -0.13 0.14 0.40 0.00 -2.23 0.00 0.00 178.31 176.49 3iac h ARG 428 N 0.33 1.05 -0.45 1.11 3.08 -0.60 0.81 114.38 119.72 3iac h ARG 428 Ca 0.16 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3iac h ARG 428 Cb 0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3iac h ARG 428 CO -0.13 0.79 0.18 0.00 -1.07 0.00 0.00 179.97 179.74 3iac h ARG 429 N 1.04 0.66 -0.13 0.04 3.08 -1.00 -0.25 114.38 117.82 3iac h ARG 429 Ca 0.26 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3iac h ARG 429 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iac h ARG 429 CO -0.04 0.60 0.06 0.82 -1.07 0.00 0.00 179.97 180.34 3iac h ILE 430 N 0.58 1.13 -0.07 2.04 2.04 -1.01 -0.95 117.51 121.27 3iac h ILE 430 Ca 0.15 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3iac h ILE 430 Cb 0.18 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3iac h ILE 430 CO -0.01 0.12 0.03 0.25 0.00 0.00 0.00 178.15 178.54 3iac h LEU 431 N 0.07 0.04 -1.10 1.44 5.85 -0.78 -1.32 115.31 119.51 3iac h LEU 431 Ca 0.04 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3iac h LEU 431 Cb 0.14 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3iac h LEU 431 CO -0.00 0.03 0.61 0.00 -0.34 0.00 0.00 178.44 178.74 3iac h ASN 433 N 1.21 0.50 0.15 0.00 -1.24 -0.94 0.13 115.58 115.39 3iac h ASN 433 Ca 0.35 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 3iac h ASN 433 Cb -0.07 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.85 3iac h ASN 433 CO -0.09 0.81 -0.07 0.25 -1.29 0.00 0.00 177.43 177.04 3iac h LEU 434 N 0.41 -0.17 -0.52 0.34 5.85 -0.49 0.11 115.31 120.83 3iac h LEU 434 Ca 0.05 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3iac h LEU 434 Cb 0.80 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3iac h LEU 434 CO 0.06 0.15 0.27 -0.07 -0.34 0.00 0.00 178.44 178.51 3iac h LEU 435 N -0.50 0.67 -0.58 2.25 3.38 -1.12 -1.35 115.31 118.06 3iac h LEU 435 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3iac h LEU 435 Cb 0.39 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3iac h LEU 435 CO 0.03 0.59 0.38 1.23 0.09 0.00 0.00 178.44 180.77 3iac h GLY 436 N 0.70 0.82 1.01 0.83 0.00 -0.70 -0.17 103.07 105.57 3iac h GLY 436 Ca 0.18 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3iac h GLY 436 CO -0.03 0.31 0.09 -1.61 0.00 0.00 0.00 176.54 175.30 3iac h GLN 437 N 0.79 0.91 -0.68 4.80 5.75 -0.50 -0.34 115.11 125.84 3iac h GLN 437 Ca 0.21 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3iac h GLN 437 Cb -0.08 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3iac h GLN 437 CO -0.04 0.88 0.44 -1.49 -2.65 0.00 0.00 178.83 175.96 3iac h TRP 438 N 0.80 0.87 -0.05 3.99 6.55 -0.81 -0.83 115.95 126.48 3iac h TRP 438 Ca 0.17 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.02 3iac h TRP 438 Cb 0.41 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.41 3iac h TRP 438 CO 0.03 0.56 0.03 0.00 -1.05 0.00 0.00 178.44 178.01 3iac h ALA 439 N 1.24 0.07 -0.58 1.49 0.00 -0.71 0.44 119.26 121.20 3iac h ALA 439 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iac h ALA 439 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3iac h ALA 439 CO -0.05 -0.38 0.27 0.37 0.00 0.00 0.00 179.25 179.46 3iac h GLN 440 N -0.03 0.83 -0.02 0.00 4.15 -0.85 -1.53 115.11 117.65 3iac h GLN 440 Ca 0.02 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3iac h GLN 440 Cb 0.11 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3iac h GLN 440 CO -0.00 0.65 0.00 -0.25 -1.93 0.00 0.00 178.83 177.30 3iac n ASP 441 N -4.35 0.26 -1.12 -0.69 8.00 -0.34 -4.92 116.55 113.40 3iac n ASP 441 Ca 0.05 -1.41 -0.10 0.00 0.71 0.00 0.00 54.79 54.04 3iac n ASP 441 Cb 0.14 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.87 0.06 0.06 0.44 0.00 -0.58 -4.93 105.19 101.11 3iac n GLY 442 Ca 0.16 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.04 0.64 -4.10 1.61 1.02 0.11 -4.92 120.64 112.97 3iac n GLU 443 Ca -0.12 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.87 3iac n GLU 443 Cb 0.57 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.35 0.48 0.35 -3.67 -4.36 -1.20 -4.98 121.20 104.47 3iac s ILE 444 Ca -0.05 -1.53 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 3iac s ILE 444 Cb 0.12 -1.16 -0.11 0.00 1.25 0.00 0.00 42.46 42.56 3iac s ILE 444 CO 0.86 -0.71 1.40 -2.84 0.24 0.00 0.00 174.94 173.89 3iac s PRO 445 N -2.90 4.23 -1.27 0.37 0.02 -1.26 -4.38 135.00 129.81 3iac s PRO 445 Ca 0.01 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.32 3iac s PRO 445 Cb -0.01 -3.02 0.16 0.00 0.02 0.00 0.00 34.50 31.66 3iac s PRO 445 CO -0.04 -0.37 1.78 -3.47 -0.33 0.00 0.00 177.00 174.57 3iac n ASP 446 N 0.69 5.08 -4.07 2.53 2.03 -1.26 -4.88 116.55 116.67 3iac n ASP 446 Ca 0.01 -3.07 -0.32 0.00 0.52 0.00 0.00 54.79 51.93 3iac n ASP 446 Cb 0.40 -1.51 -0.15 0.00 -0.72 0.00 0.00 41.12 39.15 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 1.47 4.61 0.40 1.67 -1.08 -1.26 -5.00 116.67 117.47 3iac s ASP 447 Ca 0.41 -1.60 0.09 0.00 -0.52 0.00 0.00 52.55 50.93 3iac s ASP 447 Cb 0.07 -1.60 0.86 0.00 -1.46 0.00 0.00 42.92 40.79 3iac s ASP 447 CO 0.00 -0.26 1.99 -0.08 0.52 0.00 0.00 175.17 177.34 3iac h GLU 448 N 7.77 0.58 -0.12 4.34 4.81 -2.04 -0.98 114.58 128.93 3iac h GLU 448 Ca -0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3iac h GLU 448 Cb 1.04 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3iac h GLU 448 CO 0.49 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 3iac n ALA 449 N -2.48 1.53 0.00 2.92 0.00 -1.26 -1.29 120.51 119.93 3iac n ALA 449 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3iac n ALA 449 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.03 0.00 -0.22 0.00 4.77 -0.37 -2.67 117.00 118.49 3iac n LEU 451 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3iac n LEU 451 Cb 0.03 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3iac n LEU 451 CO 0.00 0.00 0.91 0.77 -1.33 0.00 0.00 177.39 177.74 3iac h SER 452 N 0.00 0.93 0.00 -1.43 4.64 -1.43 -0.06 113.55 116.19 3iac h SER 452 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3iac h SER 452 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3iac h SER 452 CO 0.00 0.92 0.00 -1.14 -0.87 0.00 0.00 176.83 175.74 3iac n ARG 453 N -4.34 0.10 0.00 4.77 0.63 -1.09 -0.89 116.66 115.85 3iac n ARG 453 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3iac n ARG 453 Cb 0.25 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3iac n ARG 453 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3iac n VAL 455 N 0.70 0.00 -0.12 5.15 0.31 -0.04 -1.02 118.33 123.31 3iac n VAL 455 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3iac n VAL 455 Cb 0.04 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.15 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 -0.23 5.55 4.20 -1.27 -0.01 115.11 124.15 3iac h GLN 456 Ca 0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3iac h GLN 456 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3iac h GLN 456 CO 0.00 0.77 0.05 -0.44 -0.67 0.00 0.00 178.83 178.55 3iac h ASP 457 N 0.77 0.35 0.08 1.46 3.32 -1.32 -1.66 116.42 119.42 3iac h ASP 457 Ca 0.16 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 3iac h ASP 457 Cb 0.37 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3iac h ASP 457 CO 0.01 0.50 -0.48 0.40 -1.72 0.00 0.00 179.24 177.94 3iac h ILE 458 N 0.19 1.32 0.00 0.35 2.04 -1.71 0.43 117.51 120.14 3iac h ILE 458 Ca 0.07 -1.70 -0.08 0.00 1.00 0.00 0.00 64.86 64.16 3iac h ILE 458 Cb 0.28 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3iac h ILE 458 CO 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 178.15 178.31 3iac n PHE 460 N -3.57 -1.55 -0.23 0.00 7.35 -0.66 -4.65 117.46 114.16 3iac n PHE 460 Ca -0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3iac n PHE 460 Cb 0.49 0.31 0.06 0.00 0.35 0.00 0.00 39.48 40.70 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 0.66 -0.18 -2.13 2.35 -1.21 -1.90 115.58 113.18 3iac h ASN 461 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3iac h ASN 461 Cb 0.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3iac h ASN 461 CO 0.00 0.46 0.04 0.78 -1.65 0.00 0.00 177.43 177.06 3iac h ASN 462 N 0.79 0.02 -0.56 5.81 2.35 -1.18 -1.61 115.58 121.20 3iac h ASN 462 Ca 0.26 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 3iac h ASN 462 Cb 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3iac h ASN 462 CO -0.10 0.04 0.32 0.00 -1.65 0.00 0.00 177.43 176.03 3iac h ALA 463 N 1.13 0.71 -0.85 -0.83 0.00 -1.62 0.14 119.26 117.94 3iac h ALA 463 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iac h ALA 463 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3iac h ALA 463 CO -0.10 0.21 0.55 0.37 0.00 0.00 0.00 179.25 180.28 3iac h GLN 464 N 0.75 1.12 -0.12 0.00 4.15 -1.09 -1.22 115.11 118.70 3iac h GLN 464 Ca 0.20 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 3iac h GLN 464 Cb 0.02 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.46 3iac h GLN 464 CO -0.03 0.75 -0.24 0.00 -1.93 0.00 0.00 178.83 177.38 3iac h ARG 465 N 1.15 0.38 -0.81 1.69 3.08 -0.97 -3.17 114.38 115.73 3iac h ARG 465 Ca 0.31 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3iac h ARG 465 Cb -0.12 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 3iac h ARG 465 CO -0.07 0.84 0.53 -0.92 -1.07 0.00 0.00 179.97 179.29 3iac h TYR 466 N -0.05 1.00 -0.00 3.04 3.20 -0.44 -2.16 116.97 121.56 3iac h TYR 466 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3iac h TYR 466 Cb 0.83 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3iac h TYR 466 CO 0.10 0.61 -0.02 1.19 -1.64 0.00 0.00 178.16 178.41 3iac n PHE 467 N -4.55 0.00 -2.50 -3.82 3.72 -0.49 -4.82 117.46 105.00 3iac n PHE 467 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 3iac n PHE 467 Cb 0.04 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 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 -2.21 4.08 -0.27 4.37 2.01 -0.82 -4.94 115.64 117.86 3iac s THR 468 Ca 0.40 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.72 3iac s THR 468 Cb 0.21 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 3iac s THR 468 CO 0.40 0.19 1.32 -0.63 -0.69 0.00 0.00 174.62 175.21 3iac s ILE 469 N 0.49 4.14 -2.00 1.82 1.09 -1.26 -5.02 121.20 120.45 3iac s ILE 469 Ca 0.54 1.30 0.04 0.00 -1.10 0.00 0.00 60.65 61.43 3iac s ILE 469 Cb -0.28 -4.10 0.11 0.00 -1.06 0.00 0.00 42.46 37.13 3iac s ILE 469 CO 0.31 -0.40 0.71 0.29 -0.10 0.00 0.00 174.94 175.76