#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixv h VAL 2 N 0.00 1.26 -0.85 1.08 2.07 -1.95 -1.96 116.25 115.90 3ixv h VAL 2 Ca 0.00 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3ixv h VAL 2 Cb 0.00 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3ixv h VAL 2 CO 0.00 0.37 0.51 0.00 0.02 0.00 0.00 177.57 178.48 3ixv h ALA 3 N 1.09 1.08 -0.73 1.67 0.00 -1.95 0.21 119.26 120.65 3ixv h ALA 3 Ca 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ixv h ALA 3 Cb 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ixv h ALA 3 CO 0.00 0.54 0.24 0.22 0.00 0.00 0.00 179.25 180.26 3ixv h ASP 4 N 1.17 1.05 -0.81 0.00 1.82 -1.88 -1.50 116.42 116.25 3ixv h ASP 4 Ca 0.30 -0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 3ixv h ASP 4 Cb -0.05 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.65 3ixv h ASP 4 CO -0.06 0.97 0.48 0.50 -1.61 0.00 0.00 179.24 179.52 3ixv h LYS 5 N 1.07 1.11 -0.77 0.28 3.64 -0.26 -0.68 116.57 120.96 3ixv h LYS 5 Ca 0.24 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3ixv h LYS 5 Cb 0.28 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3ixv h LYS 5 CO -0.01 0.79 0.48 1.96 -2.27 0.00 0.00 179.45 180.39 3ixv h GLN 6 N 1.12 1.04 -0.79 1.90 1.08 0.01 -1.29 115.11 118.18 3ixv h GLN 6 Ca 0.29 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 3ixv h GLN 6 Cb -0.03 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.14 3ixv h GLN 6 CO -0.05 0.72 0.42 0.00 -0.95 0.00 0.00 178.83 178.97 3ixv h ALA 7 N 1.26 1.01 -0.66 3.87 0.00 -0.19 -1.76 119.26 122.78 3ixv h ALA 7 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ixv h ALA 7 Cb -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3ixv h ALA 7 CO -0.05 0.53 0.13 0.00 0.00 0.00 0.00 179.25 179.86 3ixv h ARG 8 N 1.09 1.06 -0.60 0.00 3.08 -0.07 -2.71 114.38 116.24 3ixv h ARG 8 Ca 0.27 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3ixv h ARG 8 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3ixv h ARG 8 CO -0.04 0.95 0.11 -0.07 -1.07 0.00 0.00 179.97 179.85 3ixv h LEU 9 N 1.00 0.92 -0.40 3.04 4.07 -0.71 -3.13 115.31 120.10 3ixv h LEU 9 Ca 0.21 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ixv h LEU 9 Cb 0.39 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 3ixv h LEU 9 CO 0.01 0.91 0.26 0.24 -1.08 0.00 0.00 178.44 178.78 3ixv h MET 10 N 0.91 0.53 0.00 1.13 2.86 -1.00 0.42 114.93 119.79 3ixv h MET 10 Ca 0.19 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3ixv h MET 10 Cb 0.39 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3ixv h MET 10 CO 0.01 0.36 0.00 -1.35 1.06 0.00 0.00 176.91 176.99 3ixv h PRO 11 N 0.55 0.00 -0.47 -0.22 0.11 -1.56 -0.88 132.00 129.52 3ixv h PRO 11 Ca 0.15 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 3ixv h PRO 11 Cb -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3ixv h PRO 11 CO -0.03 0.00 0.05 -0.07 -0.21 0.00 0.00 178.00 177.73 3ixv h LEU 12 N 0.00 0.71 -0.23 2.35 3.38 -0.89 -2.86 115.31 117.78 3ixv h LEU 12 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ixv h LEU 12 Cb 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ixv h LEU 12 CO 0.00 0.75 0.00 -0.26 0.09 0.00 0.00 178.44 179.02 3ixv h PHE 13 N 0.72 0.00 -3.55 1.13 0.04 -1.12 -3.46 116.94 110.69 3ixv h PHE 13 Ca 0.15 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.40 3ixv h PHE 13 Cb 0.37 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3ixv h PHE 13 CO 0.02 0.00 0.05 0.15 -0.60 0.00 0.00 178.31 177.93 3ixv s LYS 14 N -3.19 4.11 -1.37 1.51 1.02 -1.04 -4.25 119.74 116.54 3ixv s LYS 14 Ca 0.08 0.71 -0.00 0.00 0.02 0.00 0.00 55.97 56.78 3ixv s LYS 14 Cb 0.11 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3ixv s LYS 14 CO 0.56 0.35 0.53 0.72 -0.92 0.00 0.00 175.35 176.59 3ixv n HIS 15 N 0.41 -1.76 -0.27 3.18 8.25 -1.26 -4.83 115.22 118.94 3ixv n HIS 15 Ca -0.01 0.79 -0.05 0.00 -0.26 0.00 0.00 57.72 58.18 3ixv n HIS 15 Cb 0.52 -4.01 0.08 0.00 1.12 0.00 0.00 29.99 27.70 3ixv n HIS 15 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ixv h LEU 16 N -1.85 1.06 -0.31 2.41 -0.00 -1.90 0.18 115.31 114.91 3ixv h LEU 16 Ca -0.62 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 3ixv h LEU 16 Cb 1.37 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 3ixv h LEU 16 CO 0.60 0.95 0.19 0.74 -0.00 0.00 0.00 178.44 180.93 3ixv h THR 17 N 1.11 1.10 -0.03 0.22 2.02 -1.93 -1.97 112.91 113.44 3ixv h THR 17 Ca 0.25 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3ixv h THR 17 Cb 0.24 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ixv h THR 17 CO -0.02 0.09 -0.36 0.00 0.37 0.00 0.00 175.52 175.60 3ixv h ALA 18 N 1.09 1.35 0.00 6.16 0.00 -1.86 -3.23 119.26 122.77 3ixv h ALA 18 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ixv h ALA 18 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ixv h ALA 18 CO -0.02 0.48 0.12 1.25 0.00 0.00 0.00 179.25 181.07 3ixv h LEU 19 N 0.04 0.00 0.00 0.00 5.85 -0.15 -3.40 115.31 117.66 3ixv h LEU 19 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ixv h LEU 19 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ixv h LEU 19 CO 0.05 0.00 0.00 0.41 -0.34 0.00 0.00 178.44 178.56 3ixv n THR 20 N -2.64 0.00 -2.59 1.05 -1.04 -1.22 -4.53 114.28 103.31 3ixv n THR 20 Ca -0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.93 3ixv n THR 20 Cb 0.16 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.63 3ixv n THR 20 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3ixv n ARG 21 N -0.56 -4.56 -0.07 -2.82 0.63 -1.26 -4.90 116.66 103.13 3ixv n ARG 21 Ca 0.00 3.44 -0.10 0.00 -0.92 0.00 0.00 57.85 60.27 3ixv n ARG 21 Cb 0.00 -5.07 -0.03 0.00 0.45 0.00 0.00 32.46 27.81 3ixv n ARG 21 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3ixv h GLU 22 N 4.02 0.34 -3.00 -0.14 3.07 -1.85 -3.47 114.58 113.55 3ixv h GLU 22 Ca -0.55 -0.03 -0.40 0.00 -0.50 0.00 0.00 59.36 57.88 3ixv h GLU 22 Cb 1.25 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 3ixv h GLU 22 CO 0.01 0.26 -0.51 1.17 -1.40 0.00 0.00 179.01 178.55 3ixv n LYS 23 N -4.89 -1.73 -4.62 2.33 4.81 -1.26 -4.78 118.16 108.02 3ixv n LYS 23 Ca -0.02 0.98 -0.33 0.00 -0.87 0.00 0.00 58.31 58.06 3ixv n LYS 23 Cb 0.05 -5.63 -0.15 0.00 0.02 0.00 0.00 35.03 29.32 3ixv n LYS 23 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3ixv s LEU 24 N -5.93 2.44 0.23 3.14 2.96 -1.26 -4.98 118.68 115.29 3ixv s LEU 24 Ca 0.00 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3ixv s LEU 24 Cb 0.00 -1.55 0.24 0.00 0.50 0.00 0.00 46.19 45.38 3ixv s LEU 24 CO 0.00 0.10 1.69 -0.65 -1.32 0.00 0.00 176.35 176.17 3ixv h PRO 25 N 7.20 0.82 -1.99 0.98 0.11 -2.05 -3.45 132.00 133.62 3ixv h PRO 25 Ca -0.31 -0.27 -0.01 0.00 0.11 0.00 0.00 66.00 65.52 3ixv h PRO 25 Cb 1.20 -0.07 -0.21 0.00 0.11 0.00 0.00 31.00 32.03 3ixv h PRO 25 CO 0.56 0.88 0.09 -0.51 -0.21 0.00 0.00 178.00 178.82 3ixv s LEU 26 N -9.07 -0.82 0.45 2.35 1.43 -1.26 -5.00 118.68 106.76 3ixv s LEU 26 Ca -0.10 1.46 0.24 0.00 -1.03 0.00 0.00 54.13 54.71 3ixv s LEU 26 Cb 0.14 2.42 0.46 0.00 0.03 0.00 0.00 46.19 49.25 3ixv s LEU 26 CO 0.83 -0.24 1.65 -2.24 0.23 0.00 0.00 176.35 176.58 3ixv h ASP 27 N 5.77 0.00 -0.88 2.29 2.03 -1.90 -3.34 116.42 120.39 3ixv h ASP 27 Ca -0.29 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.07 3ixv h ASP 27 Cb 1.19 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.63 3ixv h ASP 27 CO 0.09 0.00 0.57 0.06 -1.03 0.00 0.00 179.24 178.94 3ixv h GLN 28 N 0.00 0.94 -0.66 4.15 -0.00 -1.99 0.67 115.11 118.22 3ixv h GLN 28 Ca -0.00 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3ixv h GLN 28 Cb 0.94 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.48 28.17 3ixv h GLN 28 CO 0.00 0.62 0.41 0.00 -0.00 0.00 0.00 178.83 179.87 3ixv h ARG 29 N 0.97 0.78 -5.87 0.06 2.47 -2.01 -3.15 114.38 107.64 3ixv h ARG 29 Ca 0.38 -0.05 -0.63 0.00 -1.26 0.00 0.00 59.98 58.42 3ixv h ARG 29 Cb 0.23 -0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 28.26 3ixv h ARG 29 CO -0.14 0.52 1.56 -0.51 0.56 0.00 0.00 179.97 181.96 3ixv s ASP 30 N -5.71 6.61 0.24 7.04 1.11 0.23 -4.68 116.67 121.52 3ixv s ASP 30 Ca -0.13 -1.80 -0.01 0.00 0.18 0.00 0.00 52.55 50.79 3ixv s ASP 30 Cb 0.15 -2.54 0.29 0.00 1.07 0.00 0.00 42.92 41.89 3ixv s ASP 30 CO 0.76 -1.35 1.66 -0.33 1.18 0.00 0.00 175.17 177.09 3ixv h GLU 31 N 9.10 0.59 -0.91 8.23 5.08 -1.67 -2.65 114.58 132.35 3ixv h GLU 31 Ca 0.25 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ixv h GLU 31 Cb 0.98 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3ixv h GLU 31 CO 1.39 0.81 0.54 0.00 -1.00 0.00 0.00 179.01 180.75 3ixv h ARG 32 N 0.51 1.24 0.00 2.33 3.08 -1.90 -2.01 114.38 117.63 3ixv h ARG 32 Ca 0.07 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ixv h ARG 32 Cb 0.75 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3ixv h ARG 32 CO 0.06 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 181.12 3ixv n LEU 33 N -4.37 0.41 -0.33 3.04 4.32 -1.02 -4.14 117.00 114.91 3ixv n LEU 33 Ca 0.10 0.58 0.07 0.00 -0.02 0.00 0.00 56.01 56.74 3ixv n LEU 33 Cb 0.07 -0.51 0.23 0.00 -1.62 0.00 0.00 43.42 41.60 3ixv n LEU 33 CO 0.38 -0.35 1.18 0.07 -1.22 0.00 0.00 177.39 177.45 3ixv h LYS 34 N 0.00 0.80 -0.12 3.23 2.10 -1.12 -2.25 116.57 119.22 3ixv h LYS 34 Ca 0.00 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 3ixv h LYS 34 Cb 0.40 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 3ixv h LYS 34 CO 0.00 0.53 -0.11 0.78 -2.00 0.00 0.00 179.45 178.65 3ixv h GLY 35 N 0.83 0.19 -2.25 0.07 0.00 -1.80 -3.45 103.07 96.66 3ixv h GLY 35 Ca 0.48 -0.11 -0.48 0.00 0.00 0.00 0.00 47.33 47.22 3ixv h GLY 35 CO -0.30 0.10 -0.37 0.54 0.00 0.00 0.00 176.54 176.51 3ixv s VAL 36 N -4.76 2.80 0.00 4.60 0.11 -0.85 -4.66 120.40 117.64 3ixv s VAL 36 Ca -0.05 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 3ixv s VAL 36 Cb 0.16 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 3ixv s VAL 36 CO 0.72 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 173.08 3ixv n GLY 37 N -1.57 1.21 0.11 6.54 0.00 -1.26 -5.00 105.19 105.21 3ixv n GLY 37 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3ixv n GLY 37 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ixv h ILE 38 N 0.00 1.44 -3.39 -0.61 3.07 -1.94 -3.44 117.51 112.64 3ixv h ILE 38 Ca 0.00 -1.59 -0.52 0.00 1.55 0.00 0.00 64.86 64.29 3ixv h ILE 38 Cb 0.00 2.34 0.01 0.00 -0.27 0.00 0.00 36.82 38.89 3ixv h ILE 38 CO 0.00 0.44 0.54 -0.22 -1.05 0.00 0.00 178.15 177.86 3ixv s LEU 39 N -8.83 4.43 0.68 0.16 2.96 -1.26 -4.98 118.68 111.83 3ixv s LEU 39 Ca -0.15 2.11 -0.14 0.00 -0.22 0.00 0.00 54.13 55.73 3ixv s LEU 39 Cb 0.03 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.13 3ixv s LEU 39 CO 0.74 -0.37 1.10 -2.84 -1.32 0.00 0.00 176.35 173.66 3ixv s PRO 40 N 0.22 2.74 0.07 0.98 0.02 -1.26 -3.59 135.00 134.18 3ixv s PRO 40 Ca 0.54 1.31 -0.37 0.00 0.02 0.00 0.00 61.00 62.50 3ixv s PRO 40 Cb -0.31 -1.95 -0.20 0.00 0.02 0.00 0.00 34.50 32.07 3ixv s PRO 40 CO 0.33 -1.28 1.56 0.07 -0.33 0.00 0.00 177.00 177.35 3ixv h ARG 41 N -0.20 -1.20 -0.01 5.54 0.11 -1.85 -3.11 114.38 113.67 3ixv h ARG 41 Ca -0.46 0.08 -0.03 0.00 0.10 0.00 0.00 59.98 59.67 3ixv h ARG 41 Cb 1.24 0.27 -0.00 0.00 1.11 0.00 0.00 29.97 32.59 3ixv h ARG 41 CO 0.54 -0.80 -0.15 0.78 0.10 0.00 0.00 179.97 180.44 3ixv h GLY 42 N -1.24 0.01 -2.14 0.08 0.00 -1.95 -3.36 103.07 94.47 3ixv h GLY 42 Ca -0.11 -0.01 -0.55 0.00 0.00 0.00 0.00 47.33 46.66 3ixv h GLY 42 CO 0.13 0.01 0.15 -1.30 0.00 0.00 0.00 176.54 175.53 3ixv n THR 43 N -4.36 2.95 -2.66 4.70 -2.24 -1.17 -4.94 114.28 106.56 3ixv n THR 43 Ca -0.02 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 61.00 3ixv n THR 43 Cb 0.22 -1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 3ixv n THR 43 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ixv s LEU 44 N -3.38 4.42 -0.14 3.22 1.02 -1.26 -4.85 118.68 117.71 3ixv s LEU 44 Ca 0.74 1.99 -0.09 0.00 0.02 0.00 0.00 54.13 56.79 3ixv s LEU 44 Cb -0.35 -3.87 -0.05 0.00 0.02 0.00 0.00 46.19 41.95 3ixv s LEU 44 CO 0.49 -0.11 0.17 0.12 0.02 0.00 0.00 176.35 177.04 3ixv s PHE 45 N -1.42 3.53 -0.18 0.29 5.36 -1.26 -5.07 117.98 119.22 3ixv s PHE 45 Ca 0.48 0.49 -0.06 0.00 -0.96 0.00 0.00 56.93 56.89 3ixv s PHE 45 Cb -0.24 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 3ixv s PHE 45 CO 0.30 0.53 0.02 0.45 -1.46 0.00 0.00 175.22 175.06 3ixv s SER 46 N -0.40 5.16 0.39 6.13 0.15 -1.26 -4.76 113.70 119.11 3ixv s SER 46 Ca 0.13 -0.07 0.20 0.00 0.70 0.00 0.00 55.95 56.92 3ixv s SER 46 Cb -0.12 -1.87 0.73 0.00 -1.71 0.00 0.00 66.02 63.05 3ixv s SER 46 CO 0.02 0.13 1.75 0.00 1.20 0.00 0.00 173.24 176.35 3ixv h PHE 48 N 0.00 0.54 -3.93 0.00 0.04 -1.90 -3.46 116.94 108.22 3ixv h PHE 48 Ca -0.00 -0.39 -0.53 0.00 2.80 0.00 0.00 57.97 59.84 3ixv h PHE 48 Cb 0.87 -0.02 0.08 0.00 2.20 0.00 0.00 35.95 39.08 3ixv h PHE 48 CO 0.00 1.71 0.65 -1.58 -0.60 0.00 0.00 178.31 178.50 3ixv s HIS 49 N -2.55 2.82 0.11 -0.55 2.46 -1.21 -4.89 115.29 111.48 3ixv s HIS 49 Ca -0.20 1.36 -0.17 0.00 0.47 0.00 0.00 55.06 56.52 3ixv s HIS 49 Cb 0.06 -3.75 -0.05 0.00 -0.13 0.00 0.00 32.58 28.71 3ixv s HIS 49 CO 0.79 -2.24 1.61 0.00 -2.47 0.00 0.00 174.74 172.43 3ixv h ALA 50 N 2.90 0.42 -0.69 1.58 0.00 -1.90 -1.74 119.26 119.83 3ixv h ALA 50 Ca -0.50 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 3ixv h ALA 50 Cb 1.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3ixv h ALA 50 CO 0.63 0.08 0.15 0.07 0.00 0.00 0.00 179.25 180.18 3ixv h ARG 51 N 0.35 1.11 -0.60 0.00 0.11 -1.96 0.20 114.38 113.60 3ixv h ARG 51 Ca 0.10 -0.28 -0.07 0.00 0.10 0.00 0.00 59.98 59.84 3ixv h ARG 51 Cb 0.29 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 3ixv h ARG 51 CO 0.00 0.99 0.12 0.45 0.10 0.00 0.00 179.97 181.63 3ixv h HIS 52 N 1.05 1.04 -0.53 4.08 3.86 -1.84 -2.42 115.15 120.39 3ixv h HIS 52 Ca 0.21 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3ixv h HIS 52 Cb 0.39 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3ixv h HIS 52 CO 0.03 0.89 0.12 -0.07 0.86 0.00 0.00 177.93 179.76 3ixv h LEU 53 N 0.89 0.76 -0.57 2.43 3.38 -0.53 -1.33 115.31 120.34 3ixv h LEU 53 Ca 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ixv h LEU 53 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3ixv h LEU 53 CO 0.01 0.75 0.25 0.00 0.09 0.00 0.00 178.44 179.54 3ixv h ALA 54 N 1.35 0.74 -0.57 1.53 0.00 -0.56 0.11 119.26 121.86 3ixv h ALA 54 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ixv h ALA 54 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ixv h ALA 54 CO -0.00 0.33 0.17 0.93 0.00 0.00 0.00 179.25 180.67 3ixv h GLU 55 N 0.78 0.90 -0.76 0.00 5.08 -0.95 -1.40 114.58 118.22 3ixv h GLU 55 Ca 0.19 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ixv h GLU 55 Cb 0.16 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3ixv h GLU 55 CO -0.02 0.82 0.45 0.00 -1.00 0.00 0.00 179.01 179.25 3ixv h ALA 56 N 1.04 0.97 -0.78 3.43 0.00 -0.62 -0.69 119.26 122.61 3ixv h ALA 56 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3ixv h ALA 56 Cb 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ixv h ALA 56 CO -0.00 0.45 0.30 0.00 0.00 0.00 0.00 179.25 180.00 3ixv h THR 57 N 1.05 1.26 -0.90 0.00 1.03 -0.35 -0.78 112.91 114.22 3ixv h THR 57 Ca 0.27 -0.84 -0.01 0.00 -0.01 0.00 0.00 66.41 65.82 3ixv h THR 57 Cb -0.02 0.34 -0.04 0.00 -1.07 0.00 0.00 68.15 67.36 3ixv h THR 57 CO -0.05 0.34 0.51 -0.08 -0.01 0.00 0.00 175.52 176.23 3ixv h GLU 58 N 1.14 1.24 -0.39 0.00 4.57 -0.14 -1.21 114.58 119.79 3ixv h GLU 58 Ca 0.26 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3ixv h GLU 58 Cb 0.24 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3ixv h GLU 58 CO -0.02 0.89 0.11 -0.07 -1.18 0.00 0.00 179.01 178.74 3ixv h LEU 59 N 1.25 0.58 -0.77 1.64 3.38 -0.07 -2.84 115.31 118.48 3ixv h LEU 59 Ca 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ixv h LEU 59 Cb -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ixv h LEU 59 CO -0.05 0.64 0.41 1.88 0.09 0.00 0.00 178.44 181.41 3ixv h TYR 60 N 0.48 1.07 -0.94 1.13 0.05 -0.43 -1.32 116.97 117.01 3ixv h TYR 60 Ca 0.12 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.90 3ixv h TYR 60 Cb 0.28 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 3ixv h TYR 60 CO 0.01 0.76 0.61 -0.39 -1.05 0.00 0.00 178.16 178.10 3ixv h VAL 61 N 1.07 1.19 -0.67 -2.88 -1.51 -1.04 0.34 116.25 112.76 3ixv h VAL 61 Ca 0.27 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 3ixv h VAL 61 Cb 0.06 -0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 29.05 3ixv h VAL 61 CO -0.04 0.22 0.40 0.00 -1.23 0.00 0.00 177.57 176.92 3ixv h ALA 62 N 1.37 0.85 -0.61 5.19 0.00 -1.03 0.24 119.26 125.27 3ixv h ALA 62 Ca 0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ixv h ALA 62 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3ixv h ALA 62 CO -0.10 0.33 0.13 -0.07 0.00 0.00 0.00 179.25 179.54 3ixv h LEU 63 N 0.91 0.90 -0.03 0.00 4.07 -0.18 -2.47 115.31 118.51 3ixv h LEU 63 Ca 0.24 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3ixv h LEU 63 Cb -0.01 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 3ixv h LEU 63 CO -0.04 0.88 0.01 1.88 -1.08 0.00 0.00 178.44 180.09 3ixv h TYR 64 N 0.91 0.04 -0.09 1.13 0.05 0.49 -3.11 116.97 116.40 3ixv h TYR 64 Ca 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 3ixv h TYR 64 Cb 0.35 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3ixv h TYR 64 CO 0.02 0.17 0.00 0.41 -1.05 0.00 0.00 178.16 177.72 3ixv n GLY 65 N -0.70 0.76 3.77 3.88 0.00 0.75 -4.71 105.19 108.95 3ixv n GLY 65 Ca -0.07 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3ixv n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixv s ALA 66 N -1.51 3.36 -0.04 4.61 0.00 -0.95 -5.01 121.76 122.22 3ixv s ALA 66 Ca 0.07 1.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.95 3ixv s ALA 66 Cb 0.05 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.50 3ixv s ALA 66 CO 0.03 -0.65 1.17 -0.22 0.00 0.00 0.00 175.76 176.09 3ixv h LYS 67 N 3.06 0.02 0.00 0.00 3.64 -1.88 -3.44 116.57 117.97 3ixv h LYS 67 Ca -0.49 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3ixv h LYS 67 Cb 1.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3ixv h LYS 67 CO 0.64 0.61 -0.01 -0.40 -2.27 0.00 0.00 179.45 178.02 3ixv n ASP 68 N -4.79 0.61 0.24 4.20 5.75 -1.26 -4.96 116.55 116.34 3ixv n ASP 68 Ca -0.09 -1.03 0.13 0.00 -0.01 0.00 0.00 54.79 53.79 3ixv n ASP 68 Cb 0.30 0.01 0.56 0.00 -1.03 0.00 0.00 41.12 40.97 3ixv n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3ixv h PHE 69 N 1.01 0.00 -0.07 2.11 3.57 -1.94 -0.24 116.94 121.38 3ixv h PHE 69 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3ixv h PHE 69 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3ixv h PHE 69 CO 0.00 0.15 -0.28 -0.91 -2.23 0.00 0.00 178.31 175.04 3ixv h ASN 70 N 0.00 0.13 0.57 0.41 2.35 -1.99 -2.66 115.58 114.38 3ixv h ASN 70 Ca -0.00 -0.04 -0.29 0.00 -0.55 0.00 0.00 56.30 55.43 3ixv h ASN 70 Cb 0.62 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.97 3ixv h ASN 70 CO 0.02 0.41 -1.30 -0.78 -1.65 0.00 0.00 177.43 174.13 3ixv h ASP 71 N 0.12 0.48 -0.35 5.81 3.58 -1.44 -2.20 116.42 122.41 3ixv h ASP 71 Ca 0.02 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 3ixv h ASP 71 Cb 0.56 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3ixv h ASP 71 CO 0.04 1.41 0.21 0.15 -2.88 0.00 0.00 179.24 178.17 3ixv h PHE 72 N 0.08 0.47 -0.65 0.28 3.04 -1.35 -1.54 116.94 117.28 3ixv h PHE 72 Ca -0.16 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.74 3ixv h PHE 72 Cb 2.00 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 40.33 3ixv h PHE 72 CO 0.07 0.34 0.22 0.82 -2.02 0.00 0.00 178.31 177.74 3ixv h ILE 73 N 0.46 1.25 0.20 1.41 1.08 -1.41 -2.13 117.51 118.36 3ixv h ILE 73 Ca 0.13 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 3ixv h ILE 73 Cb 0.01 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3ixv h ILE 73 CO -0.02 0.32 -0.09 -0.74 -0.69 0.00 0.00 178.15 176.92 3ixv h HIS 74 N 0.93 -0.25 -0.64 1.37 2.76 -0.82 0.23 115.15 118.74 3ixv h HIS 74 Ca 0.21 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3ixv h HIS 74 Cb 0.27 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 3ixv h HIS 74 CO 0.02 -0.07 0.15 1.25 -1.30 0.00 0.00 177.93 177.98 3ixv h LEU 75 N -0.37 0.95 -0.39 0.26 5.85 -1.27 -0.94 115.31 119.39 3ixv h LEU 75 Ca -0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3ixv h LEU 75 Cb 0.29 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3ixv h LEU 75 CO 0.04 0.92 0.26 0.00 -0.34 0.00 0.00 178.44 179.32 3ixv h GLU 77 N 0.53 0.76 -0.27 0.00 5.08 0.33 -0.84 114.58 120.17 3ixv h GLU 77 Ca 0.14 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 3ixv h GLU 77 Cb -0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3ixv h GLU 77 CO -0.03 0.50 -0.49 0.37 -1.00 0.00 0.00 179.01 178.36 3ixv h GLN 78 N 0.78 0.81 -0.63 2.33 4.15 -0.42 -3.24 115.11 118.89 3ixv h GLN 78 Ca 0.21 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 59.06 3ixv h GLN 78 Cb -0.08 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3ixv h GLN 78 CO -0.05 1.14 0.15 0.00 -1.93 0.00 0.00 178.83 178.14 3ixv h ALA 79 N 0.66 1.09 0.00 3.38 0.00 0.83 -1.92 119.26 123.30 3ixv h ALA 79 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ixv h ALA 79 Cb 1.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ixv h ALA 79 CO 0.11 0.61 -0.05 -0.09 0.00 0.00 0.00 179.25 179.82 3ixv h ARG 80 N 0.94 0.00 -0.06 0.00 2.43 -1.19 -1.75 114.38 114.75 3ixv h ARG 80 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3ixv h ARG 80 Cb 0.33 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3ixv h ARG 80 CO -0.00 0.05 0.02 1.96 -1.51 0.00 0.00 179.97 180.49 3ixv h GLN 81 N 0.00 0.09 0.07 0.20 4.20 -1.40 -3.37 115.11 114.90 3ixv h GLN 81 Ca -0.00 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 3ixv h GLN 81 Cb 0.13 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.91 3ixv h GLN 81 CO 0.01 0.28 -0.48 0.97 -0.67 0.00 0.00 178.83 178.94 3ixv h ILE 82 N -0.11 1.60 -4.29 2.54 2.10 -1.49 -3.37 117.51 114.50 3ixv h ILE 82 Ca 0.02 -2.43 -0.51 0.00 1.08 0.00 0.00 64.86 63.02 3ixv h ILE 82 Cb 0.22 3.24 0.12 0.00 -1.09 0.00 0.00 36.82 39.31 3ixv h ILE 82 CO -0.00 0.65 0.33 0.68 -1.08 0.00 0.00 178.15 178.73 3ixv s VAL 83 N -2.33 3.43 0.45 2.19 -7.23 -0.73 -4.64 120.40 111.54 3ixv s VAL 83 Ca -0.17 0.46 -0.24 0.00 -1.81 0.00 0.00 61.98 60.22 3ixv s VAL 83 Cb -0.01 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 3ixv s VAL 83 CO 0.75 -0.61 1.31 0.54 -0.31 0.00 0.00 175.10 176.79 3ixv s ASN 84 N -3.56 6.00 0.19 4.85 2.20 -1.24 -4.74 114.94 118.65 3ixv s ASN 84 Ca 0.60 2.66 -0.08 0.00 -0.94 0.00 0.00 52.86 55.10 3ixv s ASN 84 Cb -0.16 -2.63 0.10 0.00 -2.00 0.00 0.00 41.25 36.56 3ixv s ASN 84 CO 0.56 -1.06 1.67 1.05 -2.94 0.00 0.00 177.10 176.37 3ixv h GLU 85 N 2.26 1.07 -0.58 3.55 9.09 -1.88 -1.79 114.58 126.29 3ixv h GLU 85 Ca -0.50 -0.32 -0.06 0.00 0.05 0.00 0.00 59.36 58.53 3ixv h GLU 85 Cb 1.26 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 28.23 3ixv h GLU 85 CO 0.61 1.02 0.15 0.78 0.05 0.00 0.00 179.01 181.62 3ixv h GLY 86 N 1.01 1.00 1.05 1.06 0.00 -1.88 -0.62 103.07 104.68 3ixv h GLY 86 Ca 0.18 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3ixv h GLY 86 CO 0.03 0.58 0.37 1.98 0.00 0.00 0.00 176.54 179.50 3ixv h MET 87 N 0.84 1.22 -0.27 4.80 1.85 -1.89 -2.08 114.93 119.40 3ixv h MET 87 Ca 0.18 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 3ixv h MET 87 Cb 0.34 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 3ixv h MET 87 CO 0.00 0.95 0.16 0.35 -0.40 0.00 0.00 176.91 177.97 3ixv h PHE 88 N 1.20 0.37 -0.72 1.39 3.57 -0.63 0.10 116.94 122.21 3ixv h PHE 88 Ca 0.28 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3ixv h PHE 88 Cb 0.16 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3ixv h PHE 88 CO 0.02 0.29 0.34 -0.24 -2.23 0.00 0.00 178.31 176.48 3ixv h VAL 89 N 0.34 1.23 -0.10 1.41 3.04 -0.76 -0.74 116.25 120.67 3ixv h VAL 89 Ca 0.10 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 3ixv h VAL 89 Cb 0.03 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 29.63 3ixv h VAL 89 CO -0.02 0.28 0.03 0.22 -1.01 0.00 0.00 177.57 177.07 3ixv h TYR 90 N 1.03 0.17 -0.56 3.17 5.03 -0.64 -1.60 116.97 123.57 3ixv h TYR 90 Ca 0.25 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.47 3ixv h TYR 90 Cb 0.12 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 3ixv h TYR 90 CO 0.01 0.33 0.09 0.00 -1.32 0.00 0.00 178.16 177.28 3ixv h ALA 91 N 0.82 0.74 -0.45 1.82 0.00 -0.44 -2.45 119.26 119.30 3ixv h ALA 91 Ca 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3ixv h ALA 91 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ixv h ALA 91 CO 0.00 0.49 -0.05 -0.39 0.00 0.00 0.00 179.25 179.29 3ixv h VAL 92 N 0.82 1.27 -0.70 0.00 -1.51 -1.07 -1.81 116.25 113.25 3ixv h VAL 92 Ca 0.17 -1.13 -0.05 0.00 -1.23 0.00 0.00 66.70 64.45 3ixv h VAL 92 Cb 0.41 1.10 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 3ixv h VAL 92 CO 0.01 0.39 0.22 -1.28 -1.23 0.00 0.00 177.57 175.68 3ixv h SER 93 N 0.66 1.00 -0.68 4.19 0.87 -1.17 0.21 113.55 118.63 3ixv h SER 93 Ca 0.12 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3ixv h SER 93 Cb 0.57 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3ixv h SER 93 CO 0.03 0.93 0.21 0.58 -0.53 0.00 0.00 176.83 178.06 3ixv h VAL 94 N 1.03 1.25 -0.48 2.23 2.07 -1.23 -1.34 116.25 119.80 3ixv h VAL 94 Ca 0.23 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3ixv h VAL 94 Cb 0.29 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3ixv h VAL 94 CO -0.01 0.34 0.11 0.00 0.02 0.00 0.00 177.57 178.03 3ixv h ALA 95 N 1.09 0.63 -0.73 1.67 0.00 -0.32 -1.85 119.26 119.75 3ixv h ALA 95 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ixv h ALA 95 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ixv h ALA 95 CO -0.01 0.33 0.28 0.28 0.00 0.00 0.00 179.25 180.13 3ixv h VAL 96 N 0.65 1.25 0.07 0.00 2.07 -0.40 0.73 116.25 120.62 3ixv h VAL 96 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3ixv h VAL 96 Cb 0.34 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3ixv h VAL 96 CO 0.00 0.32 -0.03 0.25 0.02 0.00 0.00 177.57 178.13 3ixv h LEU 97 N 1.07 -0.08 0.18 2.57 6.46 -0.81 -3.36 115.31 121.33 3ixv h LEU 97 Ca 0.24 -0.23 -0.33 0.00 -0.12 0.00 0.00 57.88 57.44 3ixv h LEU 97 Cb 0.23 0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3ixv h LEU 97 CO -0.02 0.19 -1.65 0.45 -0.62 0.00 0.00 178.44 176.80 3ixv h HIS 98 N -0.35 0.70 -2.74 1.25 3.86 -1.11 -3.44 115.15 113.31 3ixv h HIS 98 Ca -0.01 -0.51 -0.56 0.00 -1.16 0.00 0.00 60.37 58.14 3ixv h HIS 98 Cb 0.31 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3ixv h HIS 98 CO 0.01 1.64 1.01 1.03 0.86 0.00 0.00 177.93 182.49 3ixv s ARG 99 N -2.56 4.18 0.29 2.45 0.52 0.23 -4.88 118.95 119.19 3ixv s ARG 99 Ca -0.16 1.94 0.03 0.00 -0.52 0.00 0.00 55.73 57.03 3ixv s ARG 99 Cb 0.05 -3.90 0.68 0.00 0.52 0.00 0.00 34.95 32.31 3ixv s ARG 99 CO 0.85 -0.81 1.75 1.49 0.02 0.00 0.00 175.30 178.59 3ixv h GLU 100 N 9.04 0.60 -0.81 3.54 4.57 -1.91 0.48 114.58 130.09 3ixv h GLU 100 Ca -0.34 -0.04 0.12 0.00 -1.18 0.00 0.00 59.36 57.93 3ixv h GLU 100 Cb 1.15 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.52 3ixv h GLU 100 CO 0.96 0.40 0.42 -0.44 -1.18 0.00 0.00 179.01 179.17 3ixv h ASP 101 N 0.62 0.55 0.00 1.04 3.32 -1.96 0.33 116.42 120.31 3ixv h ASP 101 Ca 0.54 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.67 3ixv h ASP 101 Cb 0.89 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3ixv h ASP 101 CO -0.42 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.38 3ixv n LYS 103 N 1.16 1.23 0.00 0.00 0.00 0.12 -3.90 118.16 116.76 3ixv n LYS 103 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 58.31 57.53 3ixv n LYS 103 Cb 0.20 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 33.25 3ixv n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ixv n GLY 104 N 3.18 1.00 3.44 3.14 0.00 -1.24 -4.91 105.19 109.80 3ixv n GLY 104 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 3ixv n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixv s ILE 105 N 0.00 -0.82 0.66 -0.61 -1.09 -0.98 -4.69 121.20 113.67 3ixv s ILE 105 Ca 0.00 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.43 3ixv s ILE 105 Cb 0.00 -0.84 0.04 0.00 -1.58 0.00 0.00 42.46 40.08 3ixv s ILE 105 CO 0.00 0.03 0.98 -0.89 -1.23 0.00 0.00 174.94 173.83 3ixv s THR 106 N 2.75 2.92 0.08 2.92 2.01 -1.26 -3.77 115.64 121.30 3ixv s THR 106 Ca -0.03 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.92 3ixv s THR 106 Cb -0.12 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3ixv s THR 106 CO -0.16 -0.24 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.82 3ixv s VAL 107 N -3.15 3.89 0.70 3.82 1.01 -1.25 -4.94 120.40 120.47 3ixv s VAL 107 Ca 0.57 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 3ixv s VAL 107 Cb -0.11 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3ixv s VAL 107 CO 0.45 0.16 1.18 -2.84 0.00 0.00 0.00 175.10 174.05 3ixv s PRO 108 N -2.15 2.41 0.34 2.72 0.02 -1.26 -4.85 135.00 132.23 3ixv s PRO 108 Ca 0.24 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 3ixv s PRO 108 Cb -0.12 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 3ixv s PRO 108 CO 0.16 -1.60 1.54 -2.14 -0.33 0.00 0.00 177.00 174.62 3ixv s PRO 109 N -3.91 4.11 0.10 5.54 0.02 -1.26 -4.81 135.00 134.79 3ixv s PRO 109 Ca 0.72 2.58 -0.15 0.00 0.02 0.00 0.00 61.00 64.17 3ixv s PRO 109 Cb -0.27 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 3ixv s PRO 109 CO 0.43 -0.58 1.45 -0.84 -0.33 0.00 0.00 177.00 177.12 3ixv h ILE 110 N 3.17 1.30 -0.74 2.83 3.07 -1.97 0.93 117.51 126.10 3ixv h ILE 110 Ca -0.49 -1.34 -0.04 0.00 1.55 0.00 0.00 64.86 64.54 3ixv h ILE 110 Cb 1.23 1.50 -0.03 0.00 -0.27 0.00 0.00 36.82 39.24 3ixv h ILE 110 CO 0.71 0.43 0.32 1.56 -1.05 0.00 0.00 178.15 180.12 3ixv h GLN 111 N 0.44 1.09 -0.20 0.16 7.50 -1.90 0.18 115.11 122.37 3ixv h GLN 111 Ca 0.06 -0.19 -0.17 0.00 0.50 0.00 0.00 58.65 58.85 3ixv h GLN 111 Cb 0.76 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 28.10 3ixv h GLN 111 CO 0.06 0.88 -0.58 0.93 -1.50 0.00 0.00 178.83 178.62 3ixv h GLU 112 N 1.06 0.63 -0.12 1.46 5.08 -1.80 -1.69 114.58 119.19 3ixv h GLU 112 Ca 0.25 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3ixv h GLU 112 Cb 0.18 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ixv h GLU 112 CO -0.02 1.03 -0.07 -0.39 -1.00 0.00 0.00 179.01 178.55 3ixv h VAL 113 N 0.48 1.33 -2.93 3.13 -1.51 0.14 -1.52 116.25 115.37 3ixv h VAL 113 Ca 0.00 -1.14 -0.62 0.00 -1.23 0.00 0.00 66.70 63.72 3ixv h VAL 113 Cb 1.15 1.82 -0.42 0.00 -2.13 0.00 0.00 31.29 31.71 3ixv h VAL 113 CO 0.11 0.33 -0.61 0.49 -1.23 0.00 0.00 177.57 176.66 3ixv n PHE 114 N -4.67 2.91 0.27 5.19 3.72 0.58 -4.03 117.46 121.44 3ixv n PHE 114 Ca -0.06 -4.21 0.10 0.00 -0.05 0.00 0.00 57.45 53.23 3ixv n PHE 114 Cb 0.30 -0.54 0.73 0.00 -0.94 0.00 0.00 39.48 39.03 3ixv n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ixv h PRO 115 N 5.27 0.00 -0.02 -1.08 0.13 -1.46 -2.38 132.00 132.46 3ixv h PRO 115 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 3ixv h PRO 115 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3ixv h PRO 115 CO 0.70 0.01 -0.25 0.38 -0.23 0.00 0.00 178.00 178.60 3ixv h ASP 116 N 0.00 0.04 0.22 1.44 2.03 -1.84 -1.46 116.42 116.84 3ixv h ASP 116 Ca -0.00 -0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 56.14 3ixv h ASP 116 Cb 0.01 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3ixv h ASP 116 CO 0.00 0.30 -0.59 0.08 -1.03 0.00 0.00 179.24 177.99 3ixv h ARG 117 N 0.04 0.38 0.12 4.15 0.11 -1.67 -3.32 114.38 114.17 3ixv h ARG 117 Ca 0.00 -0.25 -0.27 0.00 0.10 0.00 0.00 59.98 59.56 3ixv h ARG 117 Cb 0.47 0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.59 3ixv h ARG 117 CO 0.03 0.86 -1.21 0.74 0.10 0.00 0.00 179.97 180.49 3ixv h PHE 118 N 0.28 0.55 -2.35 4.08 -1.00 -1.50 -3.47 116.94 113.53 3ixv h PHE 118 Ca -0.00 -0.38 -0.60 0.00 2.81 0.00 0.00 57.97 59.80 3ixv h PHE 118 Cb 1.12 -0.03 -0.13 0.00 3.61 0.00 0.00 35.95 40.52 3ixv h PHE 118 CO 0.03 1.28 -0.72 0.14 -1.61 0.00 0.00 178.31 177.43 3ixv s VAL 119 N -2.75 2.89 0.70 -0.55 -7.23 -0.61 -4.94 120.40 107.92 3ixv s VAL 119 Ca -0.05 -2.14 -0.13 0.00 -1.81 0.00 0.00 61.98 57.85 3ixv s VAL 119 Cb 0.07 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.52 3ixv s VAL 119 CO 0.89 -0.35 1.11 -2.84 -0.31 0.00 0.00 175.10 173.60 3ixv s PRO 120 N -3.45 2.60 0.28 4.82 0.02 -1.26 -4.71 135.00 133.29 3ixv s PRO 120 Ca 0.29 1.32 -0.03 0.00 0.02 0.00 0.00 61.00 62.61 3ixv s PRO 120 Cb -0.06 -1.93 0.39 0.00 0.02 0.00 0.00 34.50 32.92 3ixv s PRO 120 CO 0.16 -1.40 1.93 0.00 -0.33 0.00 0.00 177.00 177.36 3ixv h ALA 121 N -0.38 1.34 -0.12 -1.55 0.00 -1.72 -2.04 119.26 114.79 3ixv h ALA 121 Ca -0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ixv h ALA 121 Cb 1.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ixv h ALA 121 CO 0.53 0.57 0.08 0.93 0.00 0.00 0.00 179.25 181.36 3ixv h GLU 122 N 1.12 0.16 -0.65 0.00 4.39 -1.92 0.38 114.58 118.06 3ixv h GLU 122 Ca 0.29 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 3ixv h GLU 122 Cb -0.05 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3ixv h GLU 122 CO -0.06 0.11 0.19 0.00 -1.16 0.00 0.00 179.01 178.10 3ixv h THR 123 N 0.16 1.25 -0.77 1.13 1.03 -1.80 0.13 112.91 114.04 3ixv h THR 123 Ca 0.04 -0.87 -0.05 0.00 -0.01 0.00 0.00 66.41 65.52 3ixv h THR 123 Cb -0.01 0.59 -0.03 0.00 -1.07 0.00 0.00 68.15 67.62 3ixv h THR 123 CO -0.01 0.33 0.28 0.40 -0.01 0.00 0.00 175.52 176.51 3ixv h ILE 124 N 0.94 1.26 -0.47 0.00 2.04 -0.89 -0.77 117.51 119.63 3ixv h ILE 124 Ca 0.21 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3ixv h ILE 124 Cb 0.31 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3ixv h ILE 124 CO -0.00 0.34 0.14 -1.13 0.00 0.00 0.00 178.15 177.50 3ixv h ASN 125 N 1.13 0.69 -0.42 1.72 -0.73 0.48 -1.67 115.58 116.78 3ixv h ASN 125 Ca 0.25 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 3ixv h ASN 125 Cb 0.25 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 3ixv h ASN 125 CO -0.02 0.72 0.21 0.03 -0.37 0.00 0.00 177.43 178.00 3ixv h ARG 126 N 0.62 0.59 -0.48 6.67 3.08 -0.34 0.43 114.38 124.96 3ixv h ARG 126 Ca 0.15 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3ixv h ARG 126 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3ixv h ARG 126 CO -0.00 0.51 0.23 0.00 -1.07 0.00 0.00 179.97 179.63 3ixv h ALA 127 N 1.06 0.62 -0.67 0.04 0.00 -1.01 0.57 119.26 119.88 3ixv h ALA 127 Ca 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ixv h ALA 127 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ixv h ALA 127 CO -0.02 0.19 0.23 -0.91 0.00 0.00 0.00 179.25 178.74 3ixv h ASN 128 N 0.64 0.96 -0.40 0.00 2.35 -0.77 -0.92 115.58 117.44 3ixv h ASN 128 Ca 0.17 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3ixv h ASN 128 Cb 0.13 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3ixv h ASN 128 CO -0.02 0.90 0.09 0.50 -1.65 0.00 0.00 177.43 177.25 3ixv h LYS 129 N 0.97 0.64 -0.41 0.81 3.64 0.74 -2.30 116.57 120.66 3ixv h LYS 129 Ca 0.22 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3ixv h LYS 129 Cb 0.27 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3ixv h LYS 129 CO -0.01 0.66 0.10 0.93 -2.27 0.00 0.00 179.45 178.86 3ixv h GLU 130 N 0.50 0.60 -0.46 1.90 5.08 0.50 0.74 114.58 123.44 3ixv h GLU 130 Ca 0.12 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ixv h GLU 130 Cb 0.31 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3ixv h GLU 130 CO 0.00 0.55 0.26 0.00 -1.00 0.00 0.00 179.01 178.83 3ixv h ALA 131 N 1.52 0.59 0.01 3.43 0.00 -0.65 -2.74 119.26 121.41 3ixv h ALA 131 Ca 0.14 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3ixv h ALA 131 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ixv h ALA 131 CO -0.00 0.09 -0.95 0.66 0.00 0.00 0.00 179.25 179.05 3ixv h SER 132 N 0.60 0.48 0.29 0.00 4.64 -0.75 -3.37 113.55 115.45 3ixv h SER 132 Ca 0.16 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3ixv h SER 132 Cb 0.03 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3ixv h SER 132 CO -0.03 1.20 -0.28 0.78 -0.87 0.00 0.00 176.83 177.62 3ixv h ASN 133 N 0.20 -0.76 -3.35 4.97 -0.26 0.75 -3.36 115.58 113.76 3ixv h ASN 133 Ca -0.08 0.07 -0.54 0.00 -0.56 0.00 0.00 56.30 55.19 3ixv h ASN 133 Cb 1.59 0.26 -0.38 0.00 -1.06 0.00 0.00 38.32 38.72 3ixv h ASN 133 CO 0.16 -0.41 -0.78 -1.00 -1.06 0.00 0.00 177.43 174.34 3ixv s HIS 134 N -6.05 1.51 0.14 1.19 3.76 -1.14 -5.08 115.29 109.62 3ixv s HIS 134 Ca -0.16 -1.03 -0.31 0.00 -0.15 0.00 0.00 55.06 53.41 3ixv s HIS 134 Cb 0.06 -1.22 -0.08 0.00 1.11 0.00 0.00 32.58 32.45 3ixv s HIS 134 CO 0.64 -0.61 1.38 -2.14 -0.85 0.00 0.00 174.74 173.16 3ixv s PRO 135 N 1.70 4.33 -0.27 8.40 0.02 -1.26 -4.81 135.00 143.10 3ixv s PRO 135 Ca -0.00 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 3ixv s PRO 135 Cb -0.16 -3.22 0.18 0.00 0.02 0.00 0.00 34.50 31.32 3ixv s PRO 135 CO -0.07 -0.40 1.32 0.34 -0.33 0.00 0.00 177.00 177.85 3ixv s ASP 136 N 0.90 -0.08 0.41 2.53 2.15 -1.26 -5.01 116.67 116.30 3ixv s ASP 136 Ca 0.63 0.09 0.14 0.00 0.43 0.00 0.00 52.55 53.85 3ixv s ASP 136 Cb -0.37 0.07 0.89 0.00 -0.30 0.00 0.00 42.92 43.21 3ixv s ASP 136 CO 0.33 -0.07 1.91 -0.61 -0.17 0.00 0.00 175.17 176.56 3ixv h GLN 137 N 2.19 0.00 -6.27 4.34 5.75 -1.92 -3.37 115.11 115.84 3ixv h GLN 137 Ca -0.11 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.80 3ixv h GLN 137 Cb 1.18 0.00 0.17 0.00 1.07 0.00 0.00 27.48 29.91 3ixv h GLN 137 CO 0.23 0.27 -0.73 0.94 -2.65 0.00 0.00 178.83 176.89 3ixv n GLN 138 N -4.16 0.28 -2.41 1.69 7.27 -1.26 -2.47 117.38 116.33 3ixv n GLN 138 Ca -0.02 0.11 -0.32 0.00 0.07 0.00 0.00 57.00 56.84 3ixv n GLN 138 Cb 0.33 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.56 3ixv n GLN 138 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3ixv s SER 139 N -1.09 6.56 -0.06 1.69 0.01 -1.26 -4.42 113.70 115.14 3ixv s SER 139 Ca 0.63 1.62 0.04 0.00 1.31 0.00 0.00 55.95 59.55 3ixv s SER 139 Cb -0.48 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.21 3ixv s SER 139 CO 0.60 -0.63 -0.18 -0.63 0.41 0.00 0.00 173.24 172.80 3ixv s ILE 140 N -2.55 2.68 -0.03 1.44 1.01 -0.97 -5.03 121.20 117.75 3ixv s ILE 140 Ca 0.60 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.43 3ixv s ILE 140 Cb -0.11 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3ixv s ILE 140 CO 0.30 0.57 -0.12 0.54 0.00 0.00 0.00 174.94 176.23 3ixv s VAL 141 N -0.41 1.04 -0.05 2.92 0.11 -1.26 -1.90 120.40 120.84 3ixv s VAL 141 Ca 0.04 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.62 3ixv s VAL 141 Cb -0.12 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3ixv s VAL 141 CO 0.02 0.31 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.30 3ixv s VAL 142 N 0.15 1.01 -0.48 2.04 1.01 -0.41 -4.98 120.40 118.75 3ixv s VAL 142 Ca -0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 3ixv s VAL 142 Cb -0.10 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.39 3ixv s VAL 142 CO 0.01 0.32 0.83 -0.70 0.00 0.00 0.00 175.10 175.56 3ixv s GLU 143 N 0.56 3.37 0.63 2.72 2.12 -1.26 0.81 118.70 127.65 3ixv s GLU 143 Ca -0.11 -0.19 0.38 0.00 0.36 0.00 0.00 54.97 55.41 3ixv s GLU 143 Cb -0.14 -3.98 2.11 0.00 0.26 0.00 0.00 34.13 32.38 3ixv s GLU 143 CO 0.03 -1.24 2.30 0.00 -0.54 0.00 0.00 175.26 175.81 3ixv h ALA 144 N 9.08 1.22 -0.67 6.30 0.00 -0.18 -3.35 119.26 131.66 3ixv h ALA 144 Ca -0.25 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.84 3ixv h ALA 144 Cb 1.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3ixv h ALA 144 CO 1.00 0.01 0.70 1.49 0.00 0.00 0.00 179.25 182.45 3ixv h GLU 145 N 0.00 0.00 0.00 0.00 4.57 -1.93 -3.48 114.58 113.74 3ixv h GLU 145 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ixv h GLU 145 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3ixv h GLU 145 CO 0.00 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.22 3ixv n GLU 146 N -3.65 0.00 -3.70 1.92 1.02 -1.26 -4.93 120.64 110.05 3ixv n GLU 146 Ca 0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 3ixv n GLU 146 Cb 0.93 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 32.25 3ixv n GLU 146 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ixv s THR 147 N 0.00 -0.02 -0.04 2.62 2.01 -1.26 -5.18 115.64 113.76 3ixv s THR 147 Ca 0.00 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 3ixv s THR 147 Cb 0.00 -0.61 0.10 0.00 0.01 0.00 0.00 72.50 72.00 3ixv s THR 147 CO 0.00 0.04 0.84 -0.83 -0.69 0.00 0.00 174.62 173.98 3ixv s GLY 148 N 1.35 -0.45 0.01 4.40 0.00 -1.26 -5.13 107.32 106.25 3ixv s GLY 148 Ca -0.09 1.34 -0.26 0.00 0.00 0.00 0.00 44.72 45.70 3ixv s GLY 148 CO -0.12 0.67 0.82 0.21 0.00 0.00 0.00 173.10 174.68 3ixv s ASN 149 N -1.80 7.23 -0.29 1.64 3.84 -1.26 -5.02 114.94 119.28 3ixv s ASN 149 Ca -0.01 1.47 0.03 0.00 0.21 0.00 0.00 52.86 54.56 3ixv s ASN 149 Cb -0.01 -2.49 0.08 0.00 -0.55 0.00 0.00 41.25 38.28 3ixv s ASN 149 CO -0.02 -0.09 -0.05 -0.63 -2.79 0.00 0.00 177.10 173.52 3ixv s ILE 150 N 0.42 2.20 -0.01 -5.21 1.01 -1.26 -4.95 121.20 113.39 3ixv s ILE 150 Ca 0.42 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 59.22 3ixv s ILE 150 Cb -0.20 -2.43 -0.24 0.00 0.01 0.00 0.00 42.46 39.60 3ixv s ILE 150 CO 0.24 -0.25 0.79 -0.07 0.00 0.00 0.00 174.94 175.64 3ixv h LEU 151 N 7.71 0.15 -8.94 2.97 -0.00 -2.05 -3.46 115.31 111.68 3ixv h LEU 151 Ca -0.13 -0.25 -0.59 0.00 -0.00 0.00 0.00 57.88 56.91 3ixv h LEU 151 Cb 1.03 -0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 41.56 3ixv h LEU 151 CO 0.48 1.21 0.53 -0.62 -0.00 0.00 0.00 178.44 180.04 3ixv s ASP 152 N -6.54 6.76 0.42 -0.43 2.15 -1.26 -4.95 116.67 112.83 3ixv s ASP 152 Ca -0.07 0.83 0.29 0.00 0.43 0.00 0.00 52.55 54.03 3ixv s ASP 152 Cb 0.08 -2.45 1.41 0.00 -0.30 0.00 0.00 42.92 41.66 3ixv s ASP 152 CO 0.83 -0.67 1.89 -0.65 -0.17 0.00 0.00 175.17 176.40 3ixv h PRO 153 N 8.03 0.00 0.00 4.34 0.11 -2.04 -1.66 132.00 140.79 3ixv h PRO 153 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3ixv h PRO 153 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ixv h PRO 153 CO 0.92 0.00 -0.07 1.49 -0.21 0.00 0.00 178.00 180.14 3ixv h GLU 154 N 0.00 0.00 -0.44 1.05 4.57 -2.01 -1.32 114.58 116.44 3ixv h GLU 154 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3ixv h GLU 154 Cb 0.22 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3ixv h GLU 154 CO 0.00 0.07 0.29 -0.92 -1.18 0.00 0.00 179.01 177.27 3ixv h TYR 155 N 0.00 0.35 -0.84 0.92 3.20 -1.71 -1.50 116.97 117.38 3ixv h TYR 155 Ca -0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 3ixv h TYR 155 Cb 0.21 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3ixv h TYR 155 CO 0.00 0.19 0.55 0.87 -1.64 0.00 0.00 178.16 178.13 3ixv h LYS 156 N 0.35 0.93 0.00 1.82 1.79 -1.45 -0.35 116.57 119.66 3ixv h LYS 156 Ca 0.19 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3ixv h LYS 156 Cb 0.31 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3ixv h LYS 156 CO -0.04 0.61 0.00 -0.07 -1.08 0.00 0.00 179.45 178.87 3ixv h LEU 157 N 0.95 0.00 -1.89 2.94 4.07 -1.45 -3.33 115.31 116.61 3ixv h LEU 157 Ca 0.36 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.55 3ixv h LEU 157 Cb 0.18 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 3ixv h LEU 157 CO -0.12 0.00 0.59 0.28 -1.08 0.00 0.00 178.44 178.11 3ixv h SER 158 N 0.00 0.09 -0.84 -0.43 0.02 -1.11 0.34 113.55 111.61 3ixv h SER 158 Ca 0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ixv h SER 158 Cb 0.41 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3ixv h SER 158 CO 0.00 0.03 0.51 0.10 -1.14 0.00 0.00 176.83 176.33 3ixv h TYR 159 N 0.09 1.10 0.13 3.45 -0.00 -1.78 0.13 116.97 120.07 3ixv h TYR 159 Ca 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.13 3ixv h TYR 159 Cb 1.49 -0.36 0.00 0.00 0.00 0.00 0.00 36.73 37.86 3ixv h TYR 159 CO -0.00 0.73 -0.06 0.35 -0.00 0.00 0.00 178.16 179.18 3ixv h PHE 160 N 1.15 -0.16 -0.38 0.10 3.04 -0.68 -3.10 116.94 116.92 3ixv h PHE 160 Ca 0.30 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.20 3ixv h PHE 160 Cb -0.05 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 3ixv h PHE 160 CO -0.00 0.32 0.04 0.00 -2.02 0.00 0.00 178.31 176.65 3ixv h ARG 161 N -0.78 0.64 0.00 1.11 3.08 -1.11 -2.84 114.38 114.48 3ixv h ARG 161 Ca -0.02 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ixv h ARG 161 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3ixv h ARG 161 CO 0.03 0.71 0.00 0.39 -1.07 0.00 0.00 179.97 180.03 3ixv n GLU 162 N -4.53 0.21 -1.60 0.04 1.02 0.43 -3.61 120.64 112.60 3ixv n GLU 162 Ca -0.01 0.24 -0.47 0.00 -0.02 0.00 0.00 57.16 56.90 3ixv n GLU 162 Cb 0.24 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 3ixv n GLU 162 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ixv n ASP 163 N -2.15 1.71 -0.14 1.62 2.03 -1.07 -4.88 116.55 113.66 3ixv n ASP 163 Ca 0.05 1.15 -0.10 0.00 0.52 0.00 0.00 54.79 56.41 3ixv n ASP 163 Cb 0.37 -1.28 -0.01 0.00 -0.72 0.00 0.00 41.12 39.48 3ixv n ASP 163 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3ixv h ILE 164 N 2.65 1.26 -0.69 5.18 2.10 -1.91 -2.95 117.51 123.14 3ixv h ILE 164 Ca -0.43 -0.97 -0.05 0.00 1.08 0.00 0.00 64.86 64.49 3ixv h ILE 164 Cb 1.32 1.08 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 3ixv h ILE 164 CO 0.70 0.33 0.24 1.23 -1.08 0.00 0.00 178.15 179.57 3ixv h GLY 165 N 0.55 1.14 0.93 8.18 0.00 -1.98 -1.71 103.07 110.19 3ixv h GLY 165 Ca 0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3ixv h GLY 165 CO 0.02 0.62 0.13 -2.22 0.00 0.00 0.00 176.54 175.08 3ixv h ILE 166 N 1.00 1.21 -0.63 2.60 1.08 -1.90 -1.00 117.51 119.88 3ixv h ILE 166 Ca 0.23 -0.66 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 3ixv h ILE 166 Cb 0.27 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3ixv h ILE 166 CO -0.01 0.23 0.15 0.78 -0.69 0.00 0.00 178.15 178.62 3ixv h ASN 167 N 0.45 0.95 -0.65 1.72 2.35 -1.33 -2.09 115.58 116.98 3ixv h ASN 167 Ca 0.12 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3ixv h ASN 167 Cb 0.23 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3ixv h ASN 167 CO -0.01 0.94 0.28 0.00 -1.65 0.00 0.00 177.43 177.00 3ixv h ALA 168 N 1.05 0.84 -0.42 -0.83 0.00 -1.03 -2.04 119.26 116.84 3ixv h ALA 168 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ixv h ALA 168 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ixv h ALA 168 CO 0.00 0.44 0.27 1.25 0.00 0.00 0.00 179.25 181.22 3ixv h HIS 169 N 0.91 0.53 -0.86 0.00 -0.00 -0.79 -1.14 115.15 113.79 3ixv h HIS 169 Ca 0.22 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 3ixv h HIS 169 Cb 0.17 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.36 3ixv h HIS 169 CO 0.01 0.34 0.48 1.25 -0.00 0.00 0.00 177.93 180.01 3ixv h HIS 170 N 0.56 1.17 -0.02 5.26 6.17 -1.00 0.16 115.15 127.45 3ixv h HIS 170 Ca 0.15 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.21 3ixv h HIS 170 Cb -0.06 -0.38 -0.00 0.00 2.52 0.00 0.00 27.41 29.50 3ixv h HIS 170 CO -0.05 0.80 0.01 2.35 0.71 0.00 0.00 177.93 181.76 3ixv h TRP 171 N 1.20 0.03 -0.73 5.26 2.91 -0.73 -2.94 115.95 120.95 3ixv h TRP 171 Ca 0.31 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.26 3ixv h TRP 171 Cb 0.01 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 3ixv h TRP 171 CO 0.01 0.06 0.20 0.45 -1.03 0.00 0.00 178.44 178.13 3ixv h HIS 172 N -0.01 1.21 -0.52 2.65 -0.00 0.07 -2.76 115.15 115.79 3ixv h HIS 172 Ca 0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 3ixv h HIS 172 Cb 0.04 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.08 3ixv h HIS 172 CO -0.06 0.96 0.34 2.35 -0.00 0.00 0.00 177.93 181.52 3ixv h TRP 173 N 1.10 0.66 -0.23 2.45 7.01 -0.65 0.22 115.95 126.51 3ixv h TRP 173 Ca 0.23 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 3ixv h TRP 173 Cb 0.34 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 3ixv h TRP 173 CO 0.03 0.42 0.04 0.45 -2.79 0.00 0.00 178.44 176.58 3ixv h HIS 174 N 0.71 0.34 -0.50 2.65 3.86 -1.32 -0.77 115.15 120.11 3ixv h HIS 174 Ca 0.19 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 3ixv h HIS 174 Cb -0.07 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3ixv h HIS 174 CO -0.04 0.32 0.07 0.82 0.86 0.00 0.00 177.93 179.96 3ixv h ILE 175 N 0.33 1.25 -0.48 2.45 5.03 -0.76 -2.53 117.51 122.81 3ixv h ILE 175 Ca 0.08 -0.96 -0.11 0.00 -0.12 0.00 0.00 64.86 63.75 3ixv h ILE 175 Cb 0.17 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 34.85 3ixv h ILE 175 CO -0.00 0.34 -0.13 -0.37 -0.68 0.00 0.00 178.15 177.31 3ixv h VAL 176 N 0.71 1.27 -3.28 1.67 -1.51 -0.18 -3.34 116.25 111.59 3ixv h VAL 176 Ca 0.15 -1.26 -0.64 0.00 -1.23 0.00 0.00 66.70 63.72 3ixv h VAL 176 Cb 0.42 1.04 -0.40 0.00 -2.13 0.00 0.00 31.29 30.21 3ixv h VAL 176 CO 0.01 0.44 -0.53 -0.31 -1.23 0.00 0.00 177.57 175.95 3ixv s TYR 177 N -4.78 3.42 0.38 5.19 1.51 -0.40 -5.08 117.35 117.60 3ixv s TYR 177 Ca -0.10 -3.18 -0.25 0.00 -1.01 0.00 0.00 57.07 52.52 3ixv s TYR 177 Cb 0.13 -2.85 -0.09 0.00 -0.11 0.00 0.00 41.96 39.04 3ixv s TYR 177 CO 0.85 -0.67 1.05 -1.25 -1.11 0.00 0.00 175.55 174.42 3ixv s PRO 178 N -0.83 4.24 0.27 -1.71 0.04 -0.97 -4.67 135.00 131.38 3ixv s PRO 178 Ca 0.21 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 3ixv s PRO 178 Cb -0.15 -2.63 0.38 0.00 0.04 0.00 0.00 34.50 32.14 3ixv s PRO 178 CO -0.08 -0.08 1.75 0.00 0.04 0.00 0.00 177.00 178.63 3ixv h ALA 179 N 2.69 1.12 0.00 8.56 0.00 -1.93 -2.57 119.26 127.14 3ixv h ALA 179 Ca -0.48 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3ixv h ALA 179 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ixv h ALA 179 CO 0.63 0.55 0.00 1.79 0.00 0.00 0.00 179.25 182.22 3ixv h THR 180 N 0.61 0.00 -1.24 0.00 1.35 -1.91 -1.15 112.91 110.57 3ixv h THR 180 Ca 0.11 -0.49 -0.79 0.00 -0.55 0.00 0.00 66.41 64.69 3ixv h THR 180 Cb 0.52 1.44 0.03 0.00 -1.73 0.00 0.00 68.15 68.41 3ixv h THR 180 CO 0.03 0.00 0.55 1.87 -0.25 0.00 0.00 175.52 177.72 3ixv n TRP 181 N -2.92 1.52 -3.98 4.73 -0.00 -0.97 -4.74 117.44 111.08 3ixv n TRP 181 Ca 0.01 0.90 -0.34 0.00 -0.00 0.00 0.00 57.50 58.07 3ixv n TRP 181 Cb 0.31 -2.27 -0.14 0.00 -0.00 0.00 0.00 31.31 29.21 3ixv n TRP 181 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3ixv s ASN 182 N 2.02 4.43 0.40 5.87 3.84 -1.26 -4.50 114.94 125.74 3ixv s ASN 182 Ca 0.97 -1.07 0.16 0.00 0.21 0.00 0.00 52.86 53.13 3ixv s ASN 182 Cb -1.25 -1.64 0.85 0.00 -0.55 0.00 0.00 41.25 38.65 3ixv s ASN 182 CO 0.67 -0.17 1.86 -0.65 -2.79 0.00 0.00 177.10 176.02 3ixv h PRO 183 N 7.96 0.00 -0.23 0.43 0.11 -1.92 -2.79 132.00 135.57 3ixv h PRO 183 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3ixv h PRO 183 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ixv h PRO 183 CO 0.55 0.32 -0.00 1.79 -0.21 0.00 0.00 178.00 180.44 3ixv h THR 184 N 0.00 1.26 0.17 -1.15 1.35 -1.88 0.73 112.91 113.39 3ixv h THR 184 Ca -0.00 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 3ixv h THR 184 Cb 0.62 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3ixv h THR 184 CO 0.04 0.28 -0.08 0.58 -0.25 0.00 0.00 175.52 176.09 3ixv h VAL 185 N 0.17 0.91 -0.51 6.82 2.07 -1.91 -2.87 116.25 120.93 3ixv h VAL 185 Ca 0.06 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3ixv h VAL 185 Cb 0.41 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3ixv h VAL 185 CO 0.01 0.09 -0.06 0.24 0.02 0.00 0.00 177.57 177.87 3ixv h MET 186 N -0.42 0.94 0.00 1.57 2.86 -1.52 -3.46 114.93 114.89 3ixv h MET 186 Ca -0.02 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3ixv h MET 186 Cb 0.32 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3ixv h MET 186 CO 0.04 0.99 0.00 0.41 1.06 0.00 0.00 176.91 179.41 3ixv n GLY 187 N -0.30 3.03 3.91 8.32 0.00 0.25 -5.02 105.19 115.39 3ixv n GLY 187 Ca 0.01 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 3ixv n GLY 187 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixv s LYS 188 N 0.00 3.58 0.16 1.61 -2.85 -1.24 -4.83 119.74 116.17 3ixv s LYS 188 Ca 0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 55.97 55.05 3ixv s LYS 188 Cb 0.00 -2.57 -0.04 0.00 -2.06 0.00 0.00 37.83 33.16 3ixv s LYS 188 CO 0.00 0.08 -0.22 -1.83 0.10 0.00 0.00 175.35 173.48 3ixv s GLU 189 N -4.07 1.34 -0.32 1.78 1.03 -1.26 -4.47 118.70 112.73 3ixv s GLU 189 Ca 0.44 -1.39 -0.18 0.00 0.03 0.00 0.00 54.97 53.87 3ixv s GLU 189 Cb -0.10 -1.59 -0.01 0.00 -0.80 0.00 0.00 34.13 31.62 3ixv s GLU 189 CO 0.35 0.35 0.50 0.15 -1.33 0.00 0.00 175.26 175.28 3ixv s LYS 190 N -2.48 3.75 0.14 -4.83 -0.14 -1.26 -5.02 119.74 109.90 3ixv s LYS 190 Ca 0.15 -0.05 -0.31 0.00 -1.36 0.00 0.00 55.97 54.41 3ixv s LYS 190 Cb -0.08 -3.76 -0.09 0.00 -1.68 0.00 0.00 37.83 32.22 3ixv s LYS 190 CO 0.07 -0.55 1.41 -0.51 -0.76 0.00 0.00 175.35 175.02 3ixv s ASP 191 N 1.71 6.78 -1.53 2.83 1.01 -1.26 -3.14 116.67 123.07 3ixv s ASP 191 Ca 0.19 2.40 -0.13 0.00 0.71 0.00 0.00 52.55 55.72 3ixv s ASP 191 Cb -0.16 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.26 3ixv s ASP 191 CO 0.12 -0.67 0.98 0.54 0.21 0.00 0.00 175.17 176.35 3ixv n ARG 192 N 3.70 -5.53 -0.15 8.23 1.74 -1.26 -4.81 116.66 118.58 3ixv n ARG 192 Ca 0.11 0.60 -0.07 0.00 -0.77 0.00 0.00 57.85 57.72 3ixv n ARG 192 Cb 0.42 -5.48 0.10 0.00 -1.02 0.00 0.00 32.46 26.48 3ixv n ARG 192 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3ixv h LYS 193 N -2.09 0.90 -0.59 5.56 2.10 -1.93 -0.21 116.57 120.31 3ixv h LYS 193 Ca -0.58 -0.27 -0.02 0.00 -2.00 0.00 0.00 60.65 57.77 3ixv h LYS 193 Cb 1.38 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 32.59 3ixv h LYS 193 CO 0.67 0.91 0.28 0.78 -2.00 0.00 0.00 179.45 180.08 3ixv h GLY 194 N 0.99 0.92 1.19 0.07 0.00 -1.89 0.10 103.07 104.45 3ixv h GLY 194 Ca 0.15 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3ixv h GLY 194 CO 0.03 0.44 -0.17 -2.09 0.00 0.00 0.00 176.54 174.75 3ixv h GLU 195 N 0.81 0.94 -0.47 4.80 4.81 -1.67 -2.50 114.58 121.31 3ixv h GLU 195 Ca 0.20 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 3ixv h GLU 195 Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3ixv h GLU 195 CO -0.02 1.03 0.01 1.25 -0.73 0.00 0.00 179.01 180.55 3ixv h LEU 196 N 0.82 0.73 -0.42 1.64 5.85 -0.51 0.42 115.31 123.85 3ixv h LEU 196 Ca 0.12 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3ixv h LEU 196 Cb 0.72 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3ixv h LEU 196 CO 0.06 0.79 0.19 0.15 -0.34 0.00 0.00 178.44 179.29 3ixv h PHE 197 N 0.72 0.35 -0.13 1.25 3.57 -0.42 0.82 116.94 123.09 3ixv h PHE 197 Ca 0.14 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3ixv h PHE 197 Cb 0.42 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3ixv h PHE 197 CO 0.02 0.17 0.07 0.35 -2.23 0.00 0.00 178.31 176.69 3ixv h PHE 198 N 0.39 0.18 -0.26 0.41 3.57 -0.91 -2.87 116.94 117.45 3ixv h PHE 198 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3ixv h PHE 198 Cb 0.12 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3ixv h PHE 198 CO -0.12 0.20 0.03 -0.92 -2.23 0.00 0.00 178.31 175.28 3ixv h TYR 199 N 0.11 0.46 -0.38 0.41 3.20 -0.26 -1.31 116.97 119.20 3ixv h TYR 199 Ca 0.05 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3ixv h TYR 199 Cb 0.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3ixv h TYR 199 CO -0.04 0.56 0.18 1.98 -1.64 0.00 0.00 178.16 179.20 3ixv h MET 200 N 0.23 0.56 -0.29 1.82 4.05 -0.88 -0.46 114.93 119.97 3ixv h MET 200 Ca 0.08 -0.09 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 3ixv h MET 200 Cb 0.35 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3ixv h MET 200 CO 0.01 0.51 -0.30 0.45 0.23 0.00 0.00 176.91 177.81 3ixv h HIS 201 N 0.48 0.67 -0.71 1.39 3.86 -1.46 -1.76 115.15 117.63 3ixv h HIS 201 Ca 0.13 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 3ixv h HIS 201 Cb 0.14 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 3ixv h HIS 201 CO -0.01 0.82 0.24 0.37 0.86 0.00 0.00 177.93 180.21 3ixv h GLN 202 N 0.51 1.09 -0.62 2.45 -0.00 -0.70 -1.82 115.11 116.02 3ixv h GLN 202 Ca 0.06 -0.23 -0.07 0.00 -0.00 0.00 0.00 58.65 58.41 3ixv h GLN 202 Cb 0.77 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 28.06 3ixv h GLN 202 CO 0.06 0.93 0.10 1.96 0.00 0.00 0.00 178.83 181.88 3ixv h GLN 203 N 1.04 1.00 -0.72 1.69 1.08 -0.67 0.17 115.11 118.70 3ixv h GLN 203 Ca 0.23 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3ixv h GLN 203 Cb 0.28 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 3ixv h GLN 203 CO -0.01 0.93 0.35 0.52 -0.95 0.00 0.00 178.83 179.67 3ixv h MET 204 N 0.95 1.04 -0.38 1.46 2.86 -0.80 0.35 114.93 120.41 3ixv h MET 204 Ca 0.19 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3ixv h MET 204 Cb 0.41 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3ixv h MET 204 CO 0.01 0.82 0.04 0.00 1.06 0.00 0.00 176.91 178.83 3ixv h ALA 206 N 0.90 0.67 -0.53 0.00 0.00 0.03 0.66 119.26 120.98 3ixv h ALA 206 Ca 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ixv h ALA 206 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ixv h ALA 206 CO 0.01 0.19 0.09 0.00 0.00 0.00 0.00 179.25 179.54 3ixv h ARG 207 N 0.70 0.84 -0.58 0.00 3.08 -0.19 -1.89 114.38 116.34 3ixv h ARG 207 Ca 0.18 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3ixv h ARG 207 Cb 0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ixv h ARG 207 CO -0.03 0.79 0.29 -0.92 -1.07 0.00 0.00 179.97 179.03 3ixv h TYR 208 N 0.80 0.83 -0.40 3.04 3.20 0.05 -2.09 116.97 122.40 3ixv h TYR 208 Ca 0.17 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 3ixv h TYR 208 Cb 0.36 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3ixv h TYR 208 CO 0.02 0.63 0.12 -0.44 -1.64 0.00 0.00 178.16 176.85 3ixv h ASP 209 N 0.79 0.53 0.35 -2.11 3.32 -0.16 -0.36 116.42 118.80 3ixv h ASP 209 Ca 0.20 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3ixv h ASP 209 Cb 0.10 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ixv h ASP 209 CO -0.03 0.52 -0.34 -1.28 -1.72 0.00 0.00 179.24 176.39 3ixv h SER 210 N 0.58 0.00 -0.34 6.45 0.87 -0.72 -1.79 113.55 118.60 3ixv h SER 210 Ca 0.14 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 3ixv h SER 210 Cb 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3ixv h SER 210 CO -0.01 0.34 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.09 3ixv h GLU 211 N 0.00 0.74 -0.42 2.24 4.39 -0.76 -0.95 114.58 119.82 3ixv h GLU 211 Ca -0.00 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 3ixv h GLU 211 Cb 0.61 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3ixv h GLU 211 CO 0.04 0.96 0.20 0.00 -1.16 0.00 0.00 179.01 179.05 3ixv h ARG 212 N 0.51 0.62 -0.55 2.33 3.08 -0.91 -0.04 114.38 119.42 3ixv h ARG 212 Ca 0.07 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3ixv h ARG 212 Cb 0.76 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3ixv h ARG 212 CO 0.06 0.54 0.10 -0.07 -1.07 0.00 0.00 179.97 179.53 3ixv h LEU 213 N 0.54 0.81 -1.31 3.04 4.07 -1.29 0.48 115.31 121.66 3ixv h LEU 213 Ca 0.14 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 3ixv h LEU 213 Cb 0.14 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3ixv h LEU 213 CO -0.02 0.82 0.40 0.28 -1.08 0.00 0.00 178.44 178.84 3ixv h SER 214 N 0.82 0.76 0.80 -0.43 0.02 -0.29 0.57 113.55 115.80 3ixv h SER 214 Ca 0.17 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3ixv h SER 214 Cb 0.35 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ixv h SER 214 CO 0.01 0.58 -0.26 0.78 -1.14 0.00 0.00 176.83 176.79 3ixv h ASN 215 N 0.88 0.00 0.00 3.07 -0.26 0.74 -3.41 115.58 116.60 3ixv h ASN 215 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 3ixv h ASN 215 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3ixv h ASN 215 CO -0.05 0.26 0.00 0.61 -1.06 0.00 0.00 177.43 177.20 3ixv n GLY 216 N 0.04 0.92 3.97 2.83 0.00 0.38 -5.07 105.19 108.26 3ixv n GLY 216 Ca -0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3ixv n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixv s LEU 217 N 0.00 4.29 0.76 0.99 1.43 0.14 -4.96 118.68 121.33 3ixv s LEU 217 Ca 0.00 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 3ixv s LEU 217 Cb 0.00 -2.91 0.05 0.00 0.03 0.00 0.00 46.19 43.36 3ixv s LEU 217 CO 0.00 -0.08 1.14 0.00 0.23 0.00 0.00 176.35 177.64 3ixv s GLN 218 N -3.95 2.34 0.58 1.70 -2.07 -1.26 -3.41 119.66 113.59 3ixv s GLN 218 Ca 0.35 0.24 -0.18 0.00 -1.82 0.00 0.00 55.36 53.95 3ixv s GLN 218 Cb -0.09 -1.99 -0.04 0.00 -1.09 0.00 0.00 33.01 29.80 3ixv s GLN 218 CO 0.30 -1.35 1.11 1.03 -1.32 0.00 0.00 175.29 175.06 3ixv s ARG 219 N -5.48 3.19 0.53 9.60 0.52 -1.26 -4.75 118.95 121.30 3ixv s ARG 219 Ca 0.60 1.49 -0.21 0.00 -0.52 0.00 0.00 55.73 57.09 3ixv s ARG 219 Cb -0.11 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.31 3ixv s ARG 219 CO 0.50 -0.96 1.20 -1.64 0.02 0.00 0.00 175.30 174.43 3ixv s MET 220 N -3.62 3.35 -0.05 3.54 -1.94 -1.26 -5.03 119.30 114.29 3ixv s MET 220 Ca 0.70 1.83 -0.00 0.00 -1.71 0.00 0.00 55.69 56.51 3ixv s MET 220 Cb -0.22 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 3ixv s MET 220 CO 0.32 -0.91 0.00 -1.50 -0.01 0.00 0.00 175.02 172.93 3ixv s ILE 221 N -1.56 4.24 0.84 2.53 2.07 -1.26 -5.06 121.20 123.00 3ixv s ILE 221 Ca 0.71 -0.40 -0.12 0.00 -1.41 0.00 0.00 60.65 59.43 3ixv s ILE 221 Cb -0.30 -2.83 0.10 0.00 0.13 0.00 0.00 42.46 39.56 3ixv s ILE 221 CO 0.35 0.50 1.17 -2.16 -1.91 0.00 0.00 174.94 172.90 3ixv s PRO 222 N -1.18 1.46 -1.50 3.50 0.04 -1.26 -4.50 135.00 131.54 3ixv s PRO 222 Ca 0.16 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.75 3ixv s PRO 222 Cb -0.11 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 3ixv s PRO 222 CO 0.06 -2.32 2.66 0.34 0.04 0.00 0.00 177.00 177.78 3ixv n PHE 223 N -3.65 2.61 -0.01 0.56 7.35 -0.45 -4.68 117.46 119.19 3ixv n PHE 223 Ca 0.13 -2.99 -0.12 0.00 -0.76 0.00 0.00 57.45 53.71 3ixv n PHE 223 Cb 0.51 -2.28 -0.07 0.00 0.35 0.00 0.00 39.48 38.00 3ixv n PHE 223 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3ixv h HIS 224 N 5.02 0.11 -2.76 -5.13 -0.00 -1.91 -3.41 115.15 107.07 3ixv h HIS 224 Ca 0.77 -0.01 -0.66 0.00 -0.00 0.00 0.00 60.37 60.48 3ixv h HIS 224 Cb 0.34 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.64 3ixv h HIS 224 CO 1.73 0.24 -0.47 1.21 -0.00 0.00 0.00 177.93 180.64 3ixv s ASN 225 N -5.46 6.39 0.07 3.26 2.47 -1.26 -4.97 114.94 115.43 3ixv s ASN 225 Ca -0.14 0.46 0.04 0.00 0.42 0.00 0.00 52.86 53.65 3ixv s ASN 225 Cb 0.05 -2.08 -0.24 0.00 -1.45 0.00 0.00 41.25 37.53 3ixv s ASN 225 CO 0.68 0.37 1.08 -0.26 -3.72 0.00 0.00 177.10 175.25 3ixv h PHE 226 N 5.23 0.15 -0.81 0.43 -1.00 -2.01 -3.32 116.94 115.62 3ixv h PHE 226 Ca -0.53 -0.11 0.15 0.00 2.81 0.00 0.00 57.97 60.29 3ixv h PHE 226 Cb 1.22 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.71 3ixv h PHE 226 CO 0.73 1.11 0.54 -0.44 -1.61 0.00 0.00 178.31 178.64 3ixv h ASP 227 N 0.02 0.50 -4.01 2.17 3.32 -1.95 -3.37 116.42 113.10 3ixv h ASP 227 Ca -0.12 0.03 -0.54 0.00 0.02 0.00 0.00 57.03 56.42 3ixv h ASP 227 Cb 1.89 -0.07 0.12 0.00 0.22 0.00 0.00 39.33 41.48 3ixv h ASP 227 CO 0.14 0.26 0.63 -1.61 -1.72 0.00 0.00 179.24 176.93 3ixv s GLU 228 N -5.52 3.49 0.47 3.56 0.41 -1.25 -4.65 118.70 115.20 3ixv s GLU 228 Ca -0.09 2.25 -0.21 0.00 -0.41 0.00 0.00 54.97 56.51 3ixv s GLU 228 Cb 0.21 -2.47 -0.09 0.00 -1.78 0.00 0.00 34.13 30.01 3ixv s GLU 228 CO 0.78 -0.92 1.04 -2.14 -0.49 0.00 0.00 175.26 173.53 3ixv s PRO 229 N -2.65 3.88 0.33 0.39 0.02 -1.26 -4.51 135.00 131.19 3ixv s PRO 229 Ca 0.65 1.40 -0.04 0.00 0.02 0.00 0.00 61.00 63.04 3ixv s PRO 229 Cb -0.40 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 3ixv s PRO 229 CO 0.50 -0.37 0.59 -0.51 -0.33 0.00 0.00 177.00 176.87 3ixv s LEU 230 N -3.29 3.99 0.45 -5.54 1.02 0.23 -4.80 118.68 110.75 3ixv s LEU 230 Ca 0.65 0.71 -0.21 0.00 0.02 0.00 0.00 54.13 55.30 3ixv s LEU 230 Cb -0.18 -3.55 -0.10 0.00 0.02 0.00 0.00 46.19 42.38 3ixv s LEU 230 CO 0.22 -0.27 1.00 -1.61 0.02 0.00 0.00 176.35 175.71 3ixv s GLU 231 N -3.84 4.02 0.40 1.70 8.01 -1.26 -1.25 118.70 126.49 3ixv s GLU 231 Ca 0.44 1.26 -0.06 0.00 0.01 0.00 0.00 54.97 56.62 3ixv s GLU 231 Cb -0.10 -2.17 -0.05 0.00 -4.31 0.00 0.00 34.13 27.50 3ixv s GLU 231 CO 0.33 -0.22 0.70 0.20 0.01 0.00 0.00 175.26 176.27 3ixv s GLY 232 N -2.04 1.65 -0.14 -1.39 0.00 -1.26 -4.64 107.32 99.50 3ixv s GLY 232 Ca 0.64 -0.50 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 3ixv s GLY 232 CO 0.17 -0.36 0.35 -0.47 0.00 0.00 0.00 173.10 172.79 3ixv s TYR 233 N -2.46 -0.45 -0.22 1.90 5.04 -0.11 -4.79 117.35 116.27 3ixv s TYR 233 Ca 0.46 1.03 -0.00 0.00 -2.44 0.00 0.00 57.07 56.12 3ixv s TYR 233 Cb -0.10 0.16 0.02 0.00 0.35 0.00 0.00 41.96 42.39 3ixv s TYR 233 CO 0.37 -0.25 -0.12 0.00 -1.34 0.00 0.00 175.55 174.21 3ixv s ALA 234 N 0.82 2.55 0.26 3.97 0.00 -1.26 -1.37 121.76 126.74 3ixv s ALA 234 Ca -0.05 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.64 3ixv s ALA 234 Cb -0.06 -1.47 0.31 0.00 0.00 0.00 0.00 23.12 21.89 3ixv s ALA 234 CO -0.06 -0.62 1.58 -1.00 0.00 0.00 0.00 175.76 175.67 3ixv h PRO 235 N 7.97 0.03 -5.90 0.00 0.13 -1.88 -3.48 132.00 128.86 3ixv h PRO 235 Ca -0.38 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.34 3ixv h PRO 235 Cb 1.12 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.36 3ixv h PRO 235 CO 0.59 0.66 -0.75 0.72 -0.23 0.00 0.00 178.00 178.99 3ixv n HIS 236 N -3.78 -2.38 -4.95 1.56 8.25 -1.26 -4.94 115.22 107.71 3ixv n HIS 236 Ca -0.01 0.94 -0.32 0.00 -0.26 0.00 0.00 57.72 58.07 3ixv n HIS 236 Cb 0.64 -4.76 -0.14 0.00 1.12 0.00 0.00 29.99 26.85 3ixv n HIS 236 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ixv s LEU 237 N -6.88 2.47 0.24 2.41 2.01 -1.26 -1.97 118.68 115.70 3ixv s LEU 237 Ca 0.30 -0.36 0.10 0.00 0.01 0.00 0.00 54.13 54.17 3ixv s LEU 237 Cb -0.14 -1.47 -0.04 0.00 0.01 0.00 0.00 46.19 44.55 3ixv s LEU 237 CO 0.76 0.31 -0.07 0.42 1.01 0.00 0.00 176.35 178.79 3ixv s THR 238 N -0.75 3.21 -0.32 5.49 -4.23 -1.26 -3.00 115.64 114.77 3ixv s THR 238 Ca 0.12 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3ixv s THR 238 Cb -0.10 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.11 3ixv s THR 238 CO 0.01 -0.30 0.04 -0.94 -0.54 0.00 0.00 174.62 172.89 3ixv s SER 239 N -3.39 5.03 0.37 3.99 1.04 0.22 -4.60 113.70 116.37 3ixv s SER 239 Ca 0.29 -1.26 0.09 0.00 0.48 0.00 0.00 55.95 55.55 3ixv s SER 239 Cb -0.07 -1.76 0.74 0.00 0.10 0.00 0.00 66.02 65.03 3ixv s SER 239 CO 0.18 -0.29 1.88 0.17 0.98 0.00 0.00 173.24 176.16 3ixv h LEU 240 N 8.06 0.20 -1.70 2.42 -0.00 -1.90 -2.53 115.31 119.87 3ixv h LEU 240 Ca -0.21 -0.05 0.16 0.00 -0.00 0.00 0.00 57.88 57.77 3ixv h LEU 240 Cb 1.07 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.63 3ixv h LEU 240 CO 0.56 0.41 0.48 -0.37 -0.00 0.00 0.00 178.44 179.52 3ixv h VAL 241 N 0.20 0.76 -2.66 0.15 -1.51 -1.92 -3.41 116.25 107.86 3ixv h VAL 241 Ca 0.04 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3ixv h VAL 241 Cb 0.46 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 3ixv h VAL 241 CO 0.03 0.05 0.00 -0.24 -1.23 0.00 0.00 177.57 176.18 3ixv n SER 242 N -4.44 0.97 0.08 4.19 2.88 -0.95 -5.03 113.62 111.32 3ixv n SER 242 Ca 0.14 -0.69 -0.05 0.00 -1.33 0.00 0.00 58.87 56.93 3ixv n SER 242 Cb 0.58 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 3ixv n SER 242 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ixv h GLY 243 N 0.00 0.00 -1.53 0.46 0.00 -1.80 -3.43 103.07 96.77 3ixv h GLY 243 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3ixv h GLY 243 CO 0.00 0.00 0.32 1.08 0.00 0.00 0.00 176.54 177.94 3ixv s LEU 244 N -6.93 3.08 0.27 3.11 1.02 -1.25 -4.55 118.68 113.43 3ixv s LEU 244 Ca 0.00 2.32 0.02 0.00 0.02 0.00 0.00 54.13 56.50 3ixv s LEU 244 Cb 0.11 -4.58 -0.05 0.00 0.02 0.00 0.00 46.19 41.69 3ixv s LEU 244 CO 0.80 -2.75 0.12 0.00 0.02 0.00 0.00 176.35 174.54 3ixv s GLN 245 N -4.25 1.48 0.09 1.70 -2.07 -1.26 0.72 119.66 116.06 3ixv s GLN 245 Ca 0.72 -1.82 -0.30 0.00 -1.82 0.00 0.00 55.36 52.13 3ixv s GLN 245 Cb -0.27 -0.19 -0.06 0.00 -1.09 0.00 0.00 33.01 31.40 3ixv s GLN 245 CO 0.52 -0.36 1.19 0.71 -1.32 0.00 0.00 175.29 176.03 3ixv s TYR 246 N -3.71 3.45 0.34 9.60 2.02 -1.16 -4.53 117.35 123.36 3ixv s TYR 246 Ca 0.37 1.35 -0.28 0.00 -0.37 0.00 0.00 57.07 58.14 3ixv s TYR 246 Cb 0.07 -3.41 -0.09 0.00 -0.40 0.00 0.00 41.96 38.13 3ixv s TYR 246 CO 0.15 -1.20 1.20 0.00 -1.57 0.00 0.00 175.55 174.13 3ixv s ALA 247 N 0.74 3.34 0.63 3.71 0.00 -1.08 -4.76 121.76 124.35 3ixv s ALA 247 Ca 0.57 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 53.50 3ixv s ALA 247 Cb -0.30 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.44 3ixv s ALA 247 CO 0.31 -0.46 0.97 -1.54 0.00 0.00 0.00 175.76 175.04 3ixv s SER 248 N -0.84 5.49 -0.14 0.00 1.04 -1.26 -4.23 113.70 113.77 3ixv s SER 248 Ca 0.51 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.78 3ixv s SER 248 Cb -0.34 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 64.06 3ixv s SER 248 CO 0.44 -1.19 -0.16 -0.60 0.98 0.00 0.00 173.24 172.71 3ixv s ARG 249 N -5.12 2.47 0.21 4.02 3.52 -0.47 -4.90 118.95 118.68 3ixv s ARG 249 Ca 0.56 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 55.36 3ixv s ARG 249 Cb -0.11 -2.14 -0.08 0.00 -1.56 0.00 0.00 34.95 31.07 3ixv s ARG 249 CO 0.47 -0.14 0.64 -2.14 -0.81 0.00 0.00 175.30 173.32 3ixv s PRO 250 N 1.19 4.04 1.19 5.12 0.02 -1.26 -0.93 135.00 144.37 3ixv s PRO 250 Ca -0.01 0.61 -0.14 0.00 0.02 0.00 0.00 61.00 61.48 3ixv s PRO 250 Cb -0.14 -2.78 0.27 0.00 0.02 0.00 0.00 34.50 31.87 3ixv s PRO 250 CO -0.07 0.37 0.82 -0.85 -0.33 0.00 0.00 177.00 176.94 3ixv n GLU 251 N 0.42 -2.50 -1.04 5.54 0.00 -1.26 -4.20 120.64 117.59 3ixv n GLU 251 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 57.16 56.44 3ixv n GLU 251 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 31.44 29.89 3ixv n GLU 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ixv n GLY 252 N 1.26 0.42 3.51 -1.84 0.00 -0.38 -4.85 105.19 103.32 3ixv n GLY 252 Ca 0.02 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 3ixv n GLY 252 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ixv s TYR 253 N -2.00 3.16 0.61 1.61 4.12 -1.25 -4.85 117.35 118.75 3ixv s TYR 253 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 57.07 56.81 3ixv s TYR 253 Cb 0.00 -2.32 0.00 0.00 -1.52 0.00 0.00 41.96 38.12 3ixv s TYR 253 CO 0.00 -0.29 0.95 0.45 0.02 0.00 0.00 175.55 176.68 3ixv s SER 254 N 1.68 5.67 0.18 2.29 0.15 -1.26 -0.60 113.70 121.81 3ixv s SER 254 Ca 0.06 0.89 -0.30 0.00 0.70 0.00 0.00 55.95 57.31 3ixv s SER 254 Cb -0.16 -1.87 -0.08 0.00 -1.71 0.00 0.00 66.02 62.20 3ixv s SER 254 CO 0.07 -1.07 1.08 -0.51 1.20 0.00 0.00 173.24 174.01 3ixv s ILE 255 N -3.07 3.93 0.21 6.45 1.10 -1.26 -4.97 121.20 123.59 3ixv s ILE 255 Ca 0.54 1.68 0.09 0.00 -0.51 0.00 0.00 60.65 62.45 3ixv s ILE 255 Cb -0.11 -4.07 -0.04 0.00 0.15 0.00 0.00 42.46 38.39 3ixv s ILE 255 CO 0.47 0.29 -0.07 -1.00 -2.11 0.00 0.00 174.94 172.52 3ixv s HIS 256 N -0.29 2.63 0.46 3.50 3.76 -1.26 -5.01 115.29 119.08 3ixv s HIS 256 Ca 0.49 -0.23 -0.22 0.00 -0.15 0.00 0.00 55.06 54.94 3ixv s HIS 256 Cb -0.29 -1.24 -0.08 0.00 1.11 0.00 0.00 32.58 32.09 3ixv s HIS 256 CO 0.34 0.56 1.12 -0.51 -0.85 0.00 0.00 174.74 175.40 3ixv s ASP 257 N -3.15 6.28 0.36 1.40 1.01 -1.26 -4.74 116.67 116.57 3ixv s ASP 257 Ca 0.27 2.18 0.08 0.00 0.71 0.00 0.00 52.55 55.79 3ixv s ASP 257 Cb -0.08 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3ixv s ASP 257 CO 0.17 -0.83 0.21 -0.76 0.21 0.00 0.00 175.17 174.17 3ixv s LEU 258 N -3.08 3.33 0.20 1.23 1.43 0.10 -4.66 118.68 117.24 3ixv s LEU 258 Ca 0.64 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3ixv s LEU 258 Cb -0.25 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.26 3ixv s LEU 258 CO 0.30 -0.39 1.77 0.28 0.23 0.00 0.00 176.35 178.54 3ixv h SER 259 N 1.40 1.00 -0.49 2.29 0.02 -1.92 -2.96 113.55 112.88 3ixv h SER 259 Ca -0.43 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 3ixv h SER 259 Cb 1.25 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3ixv h SER 259 CO 0.62 0.89 0.03 0.44 -1.14 0.00 0.00 176.83 177.67 3ixv h ASP 260 N 1.04 0.83 -3.70 3.07 5.19 -1.95 -3.43 116.42 117.47 3ixv h ASP 260 Ca 0.25 -0.29 -0.16 0.00 -0.62 0.00 0.00 57.03 56.20 3ixv h ASP 260 Cb 0.19 -0.22 -0.26 0.00 0.18 0.00 0.00 39.33 39.22 3ixv h ASP 260 CO -0.02 0.91 -0.41 -0.69 -3.12 0.00 0.00 179.24 175.91 3ixv s VAL 261 N -5.07 -0.01 -0.05 -1.35 1.01 -1.12 -5.12 120.40 108.70 3ixv s VAL 261 Ca -0.12 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3ixv s VAL 261 Cb 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3ixv s VAL 261 CO 0.81 0.01 1.05 1.51 0.00 0.00 0.00 175.10 178.49 3ixv s ASP 262 N 0.45 7.24 0.54 3.32 -4.77 -1.26 0.01 116.67 122.20 3ixv s ASP 262 Ca -0.02 1.67 0.37 0.00 -3.30 0.00 0.00 52.55 51.26 3ixv s ASP 262 Cb -0.04 -2.56 1.55 0.00 -1.09 0.00 0.00 42.92 40.77 3ixv s ASP 262 CO -0.02 -0.41 1.79 0.58 0.70 0.00 0.00 175.17 177.81 3ixv h VAL 263 N 4.93 0.39 -0.39 2.11 2.07 -1.92 -1.17 116.25 122.27 3ixv h VAL 263 Ca -0.36 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3ixv h VAL 263 Cb 1.18 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3ixv h VAL 263 CO 0.82 0.00 -0.11 -0.61 0.02 0.00 0.00 177.57 177.70 3ixv h GLN 264 N 0.01 0.68 -0.18 1.57 4.15 -1.99 -1.57 115.11 117.78 3ixv h GLN 264 Ca 0.59 -0.21 -0.16 0.00 0.77 0.00 0.00 58.65 59.63 3ixv h GLN 264 Cb 2.32 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.94 3ixv h GLN 264 CO -0.02 0.77 -0.54 0.22 -1.93 0.00 0.00 178.83 177.33 3ixv h ASP 265 N 0.62 0.61 -0.85 -0.69 -0.00 -1.63 0.26 116.42 114.74 3ixv h ASP 265 Ca 0.11 -0.32 0.16 0.00 -0.00 0.00 0.00 57.03 56.98 3ixv h ASP 265 Cb 0.55 -0.17 -0.16 0.00 -0.00 0.00 0.00 39.33 39.55 3ixv h ASP 265 CO 0.03 1.03 -0.26 0.24 -0.00 0.00 0.00 179.24 180.29 3ixv h MET 266 N 0.42 -0.02 -0.10 0.28 2.86 -1.57 0.34 114.93 117.13 3ixv h MET 266 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3ixv h MET 266 Cb 1.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 3ixv h MET 266 CO 0.10 -0.01 0.04 0.28 1.06 0.00 0.00 176.91 178.37 3ixv h VAL 267 N -0.02 1.16 -0.10 -2.22 2.07 0.37 -1.97 116.25 115.55 3ixv h VAL 267 Ca 0.38 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3ixv h VAL 267 Cb 0.61 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3ixv h VAL 267 CO -0.87 0.14 -0.25 0.03 0.02 0.00 0.00 177.57 176.64 3ixv h ARG 268 N -0.01 -0.32 -0.45 1.57 3.08 -0.43 -1.42 114.38 116.40 3ixv h ARG 268 Ca 0.03 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.20 3ixv h ARG 268 Cb 0.20 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 3ixv h ARG 268 CO -0.00 -0.22 -0.20 -1.49 -1.07 0.00 0.00 179.97 176.99 3ixv h TRP 269 N -0.34 -0.50 -0.84 3.04 6.55 -0.17 0.35 115.95 124.05 3ixv h TRP 269 Ca 0.09 0.05 0.08 0.00 0.95 0.00 0.00 58.89 60.06 3ixv h TRP 269 Cb 0.47 0.29 -0.06 0.00 -0.86 0.00 0.00 29.16 29.00 3ixv h TRP 269 CO -0.33 -0.28 0.55 -0.09 -1.05 0.00 0.00 178.44 177.23 3ixv h ARG 270 N -0.11 0.83 0.01 0.49 2.43 -1.01 0.93 114.38 117.96 3ixv h ARG 270 Ca 0.22 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 59.07 3ixv h ARG 270 Cb 0.44 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3ixv h ARG 270 CO -0.52 0.55 -1.05 0.93 -1.51 0.00 0.00 179.97 178.37 3ixv h GLU 271 N 0.86 0.69 -0.64 0.20 4.39 0.36 -1.65 114.58 118.79 3ixv h GLU 271 Ca 0.38 -0.75 0.02 0.00 0.34 0.00 0.00 59.36 59.35 3ixv h GLU 271 Cb 0.33 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3ixv h GLU 271 CO -0.15 1.32 0.40 0.00 -1.16 0.00 0.00 179.01 179.43 3ixv h ARG 272 N 0.39 0.78 -0.13 2.33 3.08 0.22 0.11 114.38 121.16 3ixv h ARG 272 Ca -0.13 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3ixv h ARG 272 Cb 1.71 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 3ixv h ARG 272 CO 0.21 0.52 -0.03 0.82 -1.07 0.00 0.00 179.97 180.42 3ixv h ILE 273 N 0.80 1.28 -0.17 2.04 2.04 -0.77 -1.91 117.51 120.83 3ixv h ILE 273 Ca 0.25 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3ixv h ILE 273 Cb -0.01 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3ixv h ILE 273 CO -0.09 0.28 0.04 -0.07 0.00 0.00 0.00 178.15 178.31 3ixv h LEU 274 N -0.06 0.26 -0.59 1.44 3.38 -1.15 -2.22 115.31 116.37 3ixv h LEU 274 Ca 0.03 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.90 3ixv h LEU 274 Cb 0.44 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 3ixv h LEU 274 CO 0.01 0.41 -0.01 -0.78 0.09 0.00 0.00 178.44 178.17 3ixv h ASP 275 N 0.09 -0.28 0.84 -0.43 1.82 -0.75 -1.83 116.42 115.89 3ixv h ASP 275 Ca 0.05 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 3ixv h ASP 275 Cb 0.26 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.53 3ixv h ASP 275 CO 0.00 -0.11 0.00 0.00 -1.61 0.00 0.00 179.24 177.52 3ixv n ALA 276 N -2.78 1.74 0.11 -0.78 0.00 -0.72 -0.95 120.51 117.13 3ixv n ALA 276 Ca 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 3ixv n ALA 276 Cb 0.33 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 3ixv n ALA 276 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ixv h ILE 277 N 0.00 0.69 -0.26 0.00 2.04 -0.71 -2.71 117.51 116.56 3ixv h ILE 277 Ca 0.00 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3ixv h ILE 277 Cb 0.42 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3ixv h ILE 277 CO 0.00 0.16 -0.26 0.78 0.00 0.00 0.00 178.15 178.82 3ixv h ASN 278 N -0.87 -0.85 0.10 1.72 2.35 -1.14 0.30 115.58 117.19 3ixv h ASN 278 Ca -0.03 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ixv h ASN 278 Cb 0.51 0.40 0.00 0.00 0.05 0.00 0.00 38.32 39.28 3ixv h ASN 278 CO 0.06 -0.29 0.00 0.23 -1.65 0.00 0.00 177.43 175.77 3ixv n MET 279 N -5.39 0.03 -1.17 0.81 2.81 -0.12 -4.83 117.12 109.27 3ixv n MET 279 Ca -0.01 0.32 -0.06 0.00 -1.81 0.00 0.00 57.70 56.15 3ixv n MET 279 Cb 0.30 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3ixv n MET 279 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3ixv n HIS 280 N -1.37 0.00 -3.81 2.03 8.25 0.09 -4.95 115.22 115.46 3ixv n HIS 280 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3ixv n HIS 280 Cb 0.04 -2.08 -0.07 0.00 1.12 0.00 0.00 29.99 28.99 3ixv n HIS 280 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ixv s TYR 281 N -1.67 0.04 0.24 4.41 -0.85 -1.03 -0.78 117.35 117.71 3ixv s TYR 281 Ca 0.00 -0.34 0.10 0.00 -0.52 0.00 0.00 57.07 56.31 3ixv s TYR 281 Cb 0.00 0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 3ixv s TYR 281 CO 0.00 -0.52 -0.18 0.96 -1.52 0.00 0.00 175.55 174.29 3ixv s ILE 282 N -3.23 2.14 -0.17 -3.49 -4.36 -0.23 -4.55 121.20 107.31 3ixv s ILE 282 Ca -0.00 -2.30 -0.07 0.00 -0.26 0.00 0.00 60.65 58.02 3ixv s ILE 282 Cb 0.02 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 3ixv s ILE 282 CO -0.08 -0.47 0.06 0.68 0.24 0.00 0.00 174.94 175.37 3ixv s VAL 283 N -2.66 4.80 0.82 8.37 -7.23 -1.26 -1.05 120.40 122.19 3ixv s VAL 283 Ca 0.26 -0.03 -0.09 0.00 -1.81 0.00 0.00 61.98 60.31 3ixv s VAL 283 Cb -0.03 -3.15 0.14 0.00 0.56 0.00 0.00 36.38 33.90 3ixv s VAL 283 CO 0.11 0.48 1.15 -1.81 -0.31 0.00 0.00 175.10 174.71 3ixv s ASP 284 N 0.23 3.94 0.28 4.85 1.01 0.69 -4.43 116.67 123.23 3ixv s ASP 284 Ca 0.04 0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.41 3ixv s ASP 284 Cb -0.12 -0.44 0.38 0.00 1.01 0.00 0.00 42.92 43.74 3ixv s ASP 284 CO 0.00 -2.18 1.90 0.11 0.21 0.00 0.00 175.17 175.21 3ixv h LYS 285 N -1.04 1.05 0.00 8.23 1.79 -1.86 0.12 116.57 124.85 3ixv h LYS 285 Ca -0.42 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 3ixv h LYS 285 Cb 1.27 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3ixv h LYS 285 CO 0.45 0.78 0.00 -0.40 -1.08 0.00 0.00 179.45 179.20 3ixv n ASP 286 N -4.35 0.31 -0.19 0.86 5.75 -1.26 -4.79 116.55 112.89 3ixv n ASP 286 Ca 0.08 0.60 -0.02 0.00 -0.01 0.00 0.00 54.79 55.44 3ixv n ASP 286 Cb 0.11 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.52 3ixv n ASP 286 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ixv n ASN 287 N -1.88 -3.34 -4.92 -1.12 3.02 0.42 -5.03 115.26 102.41 3ixv n ASN 287 Ca 0.01 0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.37 3ixv n ASN 287 Cb 0.12 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 3ixv n ASN 287 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ixv s ASN 288 N -2.85 6.16 -0.09 6.41 0.02 -1.26 -4.79 114.94 118.54 3ixv s ASN 288 Ca 0.00 0.68 -0.02 0.00 -1.02 0.00 0.00 52.86 52.51 3ixv s ASN 288 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 41.25 39.19 3ixv s ASN 288 CO 0.00 -0.55 -0.01 -0.54 0.02 0.00 0.00 177.10 176.02 3ixv s LYS 289 N -4.61 3.04 -0.08 -0.60 3.01 -1.26 -0.22 119.74 119.01 3ixv s LYS 289 Ca 0.46 -0.43 0.03 0.00 -1.01 0.00 0.00 55.97 55.01 3ixv s LYS 289 Cb -0.10 -2.79 -0.02 0.00 -1.01 0.00 0.00 37.83 33.91 3ixv s LYS 289 CO 0.41 0.65 -0.16 0.96 0.51 0.00 0.00 175.35 177.72 3ixv s ILE 290 N -0.74 2.85 0.46 2.17 -4.36 -0.21 -4.92 121.20 116.45 3ixv s ILE 290 Ca 0.11 -0.77 -0.21 0.00 -0.26 0.00 0.00 60.65 59.52 3ixv s ILE 290 Cb -0.12 -2.14 -0.09 0.00 1.25 0.00 0.00 42.46 41.37 3ixv s ILE 290 CO 0.02 0.56 1.04 -2.84 0.24 0.00 0.00 174.94 173.97 3ixv s PRO 291 N -0.20 3.91 -1.15 0.37 0.02 -1.26 -1.06 135.00 135.62 3ixv s PRO 291 Ca -0.00 1.41 -0.17 0.00 0.02 0.00 0.00 61.00 62.26 3ixv s PRO 291 Cb -0.13 -2.22 0.13 0.00 0.02 0.00 0.00 34.50 32.29 3ixv s PRO 291 CO 0.03 -0.35 1.44 -0.51 -0.33 0.00 0.00 177.00 177.28 3ixv s LEU 292 N -3.24 4.63 0.74 -5.54 1.43 0.04 -4.82 118.68 111.93 3ixv s LEU 292 Ca 0.65 -2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 51.12 3ixv s LEU 292 Cb -0.18 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.62 3ixv s LEU 292 CO 0.22 -0.98 1.09 -0.62 0.23 0.00 0.00 176.35 176.28 3ixv s ASP 293 N 3.52 4.76 0.15 2.29 2.15 -1.26 -4.67 116.67 123.61 3ixv s ASP 293 Ca 0.43 1.80 -0.13 0.00 0.43 0.00 0.00 52.55 55.08 3ixv s ASP 293 Cb -0.01 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 3ixv s ASP 293 CO -0.01 -1.87 1.67 0.40 -0.17 0.00 0.00 175.17 175.19 3ixv h ILE 294 N -0.92 1.23 0.30 4.11 2.04 -1.99 0.70 117.51 122.99 3ixv h ILE 294 Ca -0.44 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3ixv h ILE 294 Cb 1.23 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3ixv h ILE 294 CO 0.53 0.29 -0.14 -0.33 0.00 0.00 0.00 178.15 178.50 3ixv h GLU 295 N 0.69 -0.39 0.00 2.37 5.08 -2.00 -3.35 114.58 116.98 3ixv h GLU 295 Ca 0.16 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3ixv h GLU 295 Cb 0.30 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3ixv h GLU 295 CO -0.00 -0.06 -0.61 0.45 -1.00 0.00 0.00 179.01 177.79 3ixv h HIS 296 N -0.80 0.00 -0.59 4.33 3.86 -1.93 -3.41 115.15 116.61 3ixv h HIS 296 Ca -0.04 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3ixv h HIS 296 Cb 0.51 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 3ixv h HIS 296 CO 0.03 0.61 0.21 0.78 0.86 0.00 0.00 177.93 180.42 3ixv h GLY 297 N 3.25 0.81 1.06 2.45 0.00 0.28 -0.86 103.07 110.06 3ixv h GLY 297 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 3ixv h GLY 297 CO 0.08 -0.02 0.18 -0.84 0.00 0.00 0.00 176.54 175.93 3ixv h THR 298 N 0.39 1.26 -0.38 4.70 2.02 -1.80 -1.71 112.91 117.40 3ixv h THR 298 Ca 0.30 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3ixv h THR 298 Cb 0.36 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3ixv h THR 298 CO -0.30 0.37 0.14 -0.78 0.37 0.00 0.00 175.52 175.32 3ixv h ASP 299 N 1.06 0.53 -0.71 4.18 1.82 -1.47 0.12 116.42 121.95 3ixv h ASP 299 Ca 0.22 -0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 3ixv h ASP 299 Cb 0.37 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 3ixv h ASP 299 CO 0.00 0.56 0.27 0.16 -1.61 0.00 0.00 179.24 178.62 3ixv h ILE 300 N 0.46 1.25 -0.64 2.25 3.07 -1.18 -1.85 117.51 120.87 3ixv h ILE 300 Ca 0.12 -0.80 -0.08 0.00 1.55 0.00 0.00 64.86 65.65 3ixv h ILE 300 Cb 0.20 0.45 -0.02 0.00 -0.27 0.00 0.00 36.82 37.18 3ixv h ILE 300 CO -0.01 0.32 0.07 0.25 -1.05 0.00 0.00 178.15 177.73 3ixv h LEU 301 N 1.02 1.03 -0.69 0.16 5.85 -0.93 -2.70 115.31 119.04 3ixv h LEU 301 Ca 0.23 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3ixv h LEU 301 Cb 0.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3ixv h LEU 301 CO -0.02 1.04 0.38 1.23 -0.34 0.00 0.00 178.44 180.73 3ixv h GLY 302 N 1.03 1.04 1.10 3.75 0.00 0.01 0.19 103.07 110.20 3ixv h GLY 302 Ca 0.19 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3ixv h GLY 302 CO 0.02 0.46 0.09 1.29 0.00 0.00 0.00 176.54 178.40 3ixv h ASP 303 N 0.95 1.05 -0.32 0.19 3.04 -1.17 -2.14 116.42 118.04 3ixv h ASP 303 Ca 0.24 -0.26 -0.13 0.00 -3.24 0.00 0.00 57.03 53.64 3ixv h ASP 303 Cb 0.04 -0.28 -0.00 0.00 -1.04 0.00 0.00 39.33 38.05 3ixv h ASP 303 CO -0.04 1.05 -0.33 0.40 -2.04 0.00 0.00 179.24 178.28 3ixv h ILE 304 N 1.02 1.29 -0.40 4.15 2.04 -1.12 0.56 117.51 125.05 3ixv h ILE 304 Ca 0.20 -1.50 -0.15 0.00 1.00 0.00 0.00 64.86 64.41 3ixv h ILE 304 Cb 0.45 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3ixv h ILE 304 CO 0.01 0.49 -0.33 -0.29 0.00 0.00 0.00 178.15 178.03 3ixv h ILE 305 N 0.55 1.27 0.47 -0.67 -0.00 -0.86 -3.37 117.51 114.92 3ixv h ILE 305 Ca 0.05 -1.50 -0.02 0.00 -0.00 0.00 0.00 64.86 63.39 3ixv h ILE 305 Cb 0.91 1.34 -0.01 0.00 -0.00 0.00 0.00 36.82 39.06 3ixv h ILE 305 CO 0.08 0.51 -0.32 -0.08 -0.00 0.00 0.00 178.15 178.34 3ixv h GLU 306 N 0.75 -0.74 -6.23 2.19 4.81 -1.46 -2.39 114.58 111.51 3ixv h GLU 306 Ca 0.07 0.05 -0.56 0.00 -0.13 0.00 0.00 59.36 58.80 3ixv h GLU 306 Cb 0.92 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 3ixv h GLU 306 CO 0.09 -0.49 -0.60 -1.54 -0.73 0.00 0.00 179.01 175.74 3ixv s SER 307 N -4.54 5.10 0.61 1.04 1.04 -1.26 -1.07 113.70 114.62 3ixv s SER 307 Ca -0.17 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 55.99 3ixv s SER 307 Cb 0.05 -1.18 0.10 0.00 0.10 0.00 0.00 66.02 65.09 3ixv s SER 307 CO 0.63 0.02 0.85 -0.94 0.98 0.00 0.00 173.24 174.78 3ixv s SER 308 N -3.43 4.92 0.48 7.02 1.04 0.20 -4.92 113.70 119.01 3ixv s SER 308 Ca 0.31 -0.83 0.23 0.00 0.48 0.00 0.00 55.95 56.14 3ixv s SER 308 Cb -0.08 0.36 1.21 0.00 0.10 0.00 0.00 66.02 67.61 3ixv s SER 308 CO 0.22 -1.49 1.99 0.44 0.98 0.00 0.00 173.24 175.38 3ixv h ASP 309 N 0.02 0.00 0.72 7.02 5.19 -1.43 -2.57 116.42 125.37 3ixv h ASP 309 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3ixv h ASP 309 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3ixv h ASP 309 CO 0.40 0.18 0.00 -0.33 -3.12 0.00 0.00 179.24 176.37 3ixv h GLU 310 N 0.00 0.00 -6.35 3.56 5.08 -1.83 -3.46 114.58 111.59 3ixv h GLU 310 Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3ixv h GLU 310 Cb 0.44 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.77 3ixv h GLU 310 CO 0.02 0.00 0.26 0.45 -1.00 0.00 0.00 179.01 178.74 3ixv n SER 311 N -2.98 1.36 0.16 1.42 2.88 -0.97 -4.84 113.62 110.65 3ixv n SER 311 Ca -0.00 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.70 3ixv n SER 311 Cb 0.23 -1.23 0.33 0.00 -0.75 0.00 0.00 64.21 62.80 3ixv n SER 311 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3ixv h LYS 312 N 3.26 0.07 -2.57 -1.46 1.57 -1.88 -3.37 116.57 112.18 3ixv h LYS 312 Ca -0.43 -0.03 -0.43 0.00 -1.87 0.00 0.00 60.65 57.90 3ixv h LYS 312 Cb 1.34 -0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.27 3ixv h LYS 312 CO 0.69 0.43 -0.71 1.21 -0.57 0.00 0.00 179.45 180.50 3ixv s ASN 313 N -6.92 2.49 0.04 0.86 3.84 -1.26 -3.28 114.94 110.72 3ixv s ASN 313 Ca -0.03 -0.89 -0.19 0.00 0.21 0.00 0.00 52.86 51.96 3ixv s ASN 313 Cb 0.14 0.04 -0.16 0.00 -0.55 0.00 0.00 41.25 40.73 3ixv s ASN 313 CO 0.74 -0.40 1.29 -0.37 -2.79 0.00 0.00 177.10 175.56 3ixv h VAL 314 N 6.35 1.36 0.26 -5.21 -1.51 -1.88 -2.59 116.25 113.04 3ixv h VAL 314 Ca -0.17 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 63.70 3ixv h VAL 314 Cb 1.07 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 3ixv h VAL 314 CO 0.37 0.47 -0.14 1.05 -1.23 0.00 0.00 177.57 178.09 3ixv h GLU 315 N 0.07 -0.36 0.05 5.19 4.11 -1.94 0.38 114.58 122.08 3ixv h GLU 315 Ca 0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 3ixv h GLU 315 Cb 0.92 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3ixv h GLU 315 CO 0.07 -0.24 -0.02 -0.92 0.07 0.00 0.00 179.01 177.96 3ixv h TYR 316 N -0.37 -0.06 0.00 2.06 3.20 -1.99 -3.36 116.97 116.44 3ixv h TYR 316 Ca -0.03 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.67 3ixv h TYR 316 Cb 0.30 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3ixv h TYR 316 CO -0.07 0.54 -0.84 1.88 -1.64 0.00 0.00 178.16 178.04 3ixv h TYR 317 N -0.76 0.00 0.00 -3.82 0.05 -1.42 -3.46 116.97 107.56 3ixv h TYR 317 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3ixv h TYR 317 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 3ixv h TYR 317 CO 0.14 0.79 0.00 0.41 -1.05 0.00 0.00 178.16 178.46 3ixv n GLY 318 N 1.31 -1.45 2.46 3.88 0.00 0.13 -4.62 105.19 106.90 3ixv n GLY 318 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 3ixv n GLY 318 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ixv s SER 319 N -4.00 2.39 0.03 1.61 1.04 -1.26 -4.62 113.70 108.89 3ixv s SER 319 Ca 0.00 -2.63 -0.25 0.00 0.48 0.00 0.00 55.95 53.55 3ixv s SER 319 Cb 0.00 -0.48 -0.18 0.00 0.10 0.00 0.00 66.02 65.46 3ixv s SER 319 CO 0.00 -0.24 1.49 0.25 0.98 0.00 0.00 173.24 175.72 3ixv h LEU 320 N 6.36 -0.05 0.03 2.42 5.85 -1.76 -2.47 115.31 125.70 3ixv h LEU 320 Ca 0.15 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ixv h LEU 320 Cb 0.94 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3ixv h LEU 320 CO 0.33 0.20 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.88 3ixv h HIS 321 N -0.29 -0.04 -0.61 1.25 2.76 -1.35 -1.78 115.15 115.08 3ixv h HIS 321 Ca -0.01 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 3ixv h HIS 321 Cb 0.27 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 3ixv h HIS 321 CO 0.01 0.05 0.16 -0.91 -1.30 0.00 0.00 177.93 175.93 3ixv h ASN 322 N -0.12 0.92 0.08 3.26 2.35 -1.15 -1.65 115.58 119.27 3ixv h ASN 322 Ca -0.00 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.47 3ixv h ASN 322 Cb 0.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3ixv h ASN 322 CO 0.01 0.91 -0.15 -0.50 -1.65 0.00 0.00 177.43 176.05 3ixv h TRP 323 N 0.89 0.17 -0.77 1.19 4.06 -1.27 -1.50 115.95 118.71 3ixv h TRP 323 Ca 0.19 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.13 3ixv h TRP 323 Cb 0.34 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 3ixv h TRP 323 CO 0.02 0.31 0.49 0.78 -3.56 0.00 0.00 178.44 176.48 3ixv h GLY 324 N 0.69 1.10 0.97 1.49 0.00 -0.40 0.25 103.07 107.18 3ixv h GLY 324 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3ixv h GLY 324 CO 0.02 0.42 0.17 0.45 0.00 0.00 0.00 176.54 177.61 3ixv h HIS 325 N 1.05 0.80 -0.28 5.60 3.86 -1.12 -1.73 115.15 123.33 3ixv h HIS 325 Ca 0.28 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3ixv h HIS 325 Cb -0.08 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 3ixv h HIS 325 CO -0.01 0.69 0.10 0.28 0.86 0.00 0.00 177.93 179.85 3ixv h VAL 326 N 0.68 1.19 -0.53 2.45 2.07 -0.78 -0.55 116.25 120.79 3ixv h VAL 326 Ca 0.16 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3ixv h VAL 326 Cb 0.25 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3ixv h VAL 326 CO -0.01 0.20 0.17 0.00 0.02 0.00 0.00 177.57 177.95 3ixv h MET 327 N 0.30 0.82 -0.41 1.57 -0.00 -0.42 -1.98 114.93 114.80 3ixv h MET 327 Ca 0.09 -0.17 -0.11 0.00 -0.00 0.00 0.00 59.70 59.51 3ixv h MET 327 Cb 0.21 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 3ixv h MET 327 CO -0.01 0.75 -0.17 0.52 -0.00 0.00 0.00 176.91 178.00 3ixv h MET 328 N 0.72 0.79 -0.76 -0.10 2.86 -1.20 -2.97 114.93 114.26 3ixv h MET 328 Ca 0.17 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3ixv h MET 328 Cb 0.27 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3ixv h MET 328 CO -0.01 0.91 0.31 0.00 1.06 0.00 0.00 176.91 179.18 3ixv h ALA 329 N 1.11 1.10 -0.87 6.32 0.00 -0.65 -3.00 119.26 123.26 3ixv h ALA 329 Ca 0.11 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.22 3ixv h ALA 329 Cb 0.67 -0.30 -0.37 0.00 0.00 0.00 0.00 17.79 17.79 3ixv h ALA 329 CO 0.05 0.64 -0.06 0.27 0.00 0.00 0.00 179.25 180.15 3ixv n ASN 330 N -4.28 6.16 -0.14 0.00 6.94 -0.79 -1.92 115.26 121.23 3ixv n ASN 330 Ca 0.07 -3.77 -0.03 0.00 -0.02 0.00 0.00 54.58 50.83 3ixv n ASN 330 Cb 0.18 -0.63 0.18 0.00 -2.36 0.00 0.00 39.78 37.16 3ixv n ASN 330 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3ixv h ILE 331 N 1.68 1.23 -0.66 1.53 6.09 -1.37 -0.96 117.51 125.04 3ixv h ILE 331 Ca 0.47 -0.82 -0.04 0.00 -1.37 0.00 0.00 64.86 63.10 3ixv h ILE 331 Cb 1.20 0.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 3ixv h ILE 331 CO 1.13 0.31 0.23 0.00 -3.07 0.00 0.00 178.15 176.75 3ixv h THR 332 N 0.83 1.24 -1.94 2.19 1.03 -1.85 -3.34 112.91 111.07 3ixv h THR 332 Ca 0.18 -0.78 -0.54 0.00 -0.01 0.00 0.00 66.41 65.25 3ixv h THR 332 Cb 0.29 0.49 -0.37 0.00 -1.07 0.00 0.00 68.15 67.49 3ixv h THR 332 CO -0.00 0.31 -1.05 -0.67 -0.01 0.00 0.00 175.52 174.09 3ixv n ASP 333 N -4.29 -0.12 -0.29 0.00 2.03 -0.86 -4.95 116.55 108.09 3ixv n ASP 333 Ca 0.06 -2.68 0.08 0.00 0.52 0.00 0.00 54.79 52.77 3ixv n ASP 333 Cb 0.20 -0.48 0.31 0.00 -0.72 0.00 0.00 41.12 40.43 3ixv n ASP 333 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ixv h PRO 334 N 4.23 0.82 -0.09 -0.67 0.13 -1.33 -0.13 132.00 134.97 3ixv h PRO 334 Ca 0.09 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 3ixv h PRO 334 Cb 0.89 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3ixv h PRO 334 CO 0.44 0.54 -0.55 0.22 -0.23 0.00 0.00 178.00 178.42 3ixv h ASP 335 N 0.85 0.30 -0.59 1.44 1.82 -1.86 -3.38 116.42 115.00 3ixv h ASP 335 Ca 0.43 -0.16 -0.23 0.00 -0.39 0.00 0.00 57.03 56.68 3ixv h ASP 335 Cb 0.49 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 40.33 3ixv h ASP 335 CO -0.19 0.79 -0.22 1.57 -1.61 0.00 0.00 179.24 179.59 3ixv n HIS 336 N -3.92 -0.02 -0.00 0.28 -0.00 -0.06 -4.87 115.22 106.62 3ixv n HIS 336 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.63 3ixv n HIS 336 Cb 0.58 -2.15 0.11 0.00 -0.00 0.00 0.00 29.99 28.54 3ixv n HIS 336 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3ixv h ARG 337 N 0.00 0.55 -0.02 1.57 0.11 -1.92 -2.79 114.38 111.89 3ixv h ARG 337 Ca -0.24 -0.27 -0.06 0.00 0.10 0.00 0.00 59.98 59.51 3ixv h ARG 337 Cb 0.76 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.84 3ixv h ARG 337 CO 0.34 0.85 -0.25 0.74 0.10 0.00 0.00 179.97 181.75 3ixv h PHE 338 N 0.46 0.03 -5.43 4.08 0.04 -1.91 -3.46 116.94 110.75 3ixv h PHE 338 Ca 0.04 -0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.48 3ixv h PHE 338 Cb 0.88 -0.01 0.15 0.00 2.20 0.00 0.00 35.95 39.18 3ixv h PHE 338 CO 0.03 0.28 -0.69 1.04 -0.60 0.00 0.00 178.31 178.37 3ixv n GLN 339 N -4.22 -6.52 -4.06 1.51 6.02 -1.05 -5.00 117.38 104.05 3ixv n GLN 339 Ca -0.02 0.79 -0.27 0.00 -0.01 0.00 0.00 57.00 57.49 3ixv n GLN 339 Cb 0.31 -5.64 -0.05 0.00 1.02 0.00 0.00 30.24 25.88 3ixv n GLN 339 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ixv s GLU 340 N -5.53 2.97 0.62 -1.09 2.02 -1.26 -5.10 118.70 111.34 3ixv s GLU 340 Ca 0.15 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 3ixv s GLU 340 Cb -0.07 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 3ixv s GLU 340 CO 0.68 0.50 1.03 -0.80 0.02 0.00 0.00 175.26 176.69 3ixv s ASN 341 N -3.02 6.05 0.88 -0.19 -0.87 -1.26 -4.99 114.94 111.54 3ixv s ASN 341 Ca 0.31 1.54 -0.12 0.00 -1.57 0.00 0.00 52.86 53.02 3ixv s ASN 341 Cb -0.10 -2.49 0.12 0.00 -0.02 0.00 0.00 41.25 38.75 3ixv s ASN 341 CO 0.24 -0.99 1.11 -2.84 -2.57 0.00 0.00 177.10 172.04 3ixv s PRO 342 N -4.83 1.40 0.22 -0.60 0.02 -1.26 -3.50 135.00 126.45 3ixv s PRO 342 Ca 0.57 0.56 -0.03 0.00 0.02 0.00 0.00 61.00 62.13 3ixv s PRO 342 Cb -0.12 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.60 3ixv s PRO 342 CO 0.48 -2.08 0.31 0.41 -0.33 0.00 0.00 177.00 175.79 3ixv n GLY 343 N -1.77 -0.53 0.29 0.52 0.00 -0.81 -2.63 105.19 100.26 3ixv n GLY 343 Ca 0.07 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.46 3ixv n GLY 343 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ixv h VAL 344 N -0.92 0.40 0.00 1.61 -1.51 -1.90 -2.70 116.25 111.23 3ixv h VAL 344 Ca -0.10 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 3ixv h VAL 344 Cb 0.30 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 3ixv h VAL 344 CO 0.08 0.06 -0.06 -0.03 -1.23 0.00 0.00 177.57 176.39 3ixv h MET 345 N 0.00 0.00 0.00 5.19 1.85 -1.88 -2.10 114.93 117.99 3ixv h MET 345 Ca -0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 3ixv h MET 345 Cb 0.22 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 3ixv h MET 345 CO 0.01 0.06 -0.16 0.77 -0.40 0.00 0.00 176.91 177.19 3ixv h SER 346 N 0.00 0.00 -4.24 1.39 0.02 -1.72 -3.45 113.55 105.55 3ixv h SER 346 Ca -0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 3ixv h SER 346 Cb 0.16 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.44 3ixv h SER 346 CO 0.01 0.16 -0.85 -0.62 -1.14 0.00 0.00 176.83 174.39 3ixv s ASP 347 N -6.18 3.44 0.36 3.07 -1.08 -0.81 -2.63 116.67 112.84 3ixv s ASP 347 Ca -0.02 -0.46 0.13 0.00 -0.52 0.00 0.00 52.55 51.67 3ixv s ASP 347 Cb 0.12 -0.47 0.70 0.00 -1.46 0.00 0.00 42.92 41.81 3ixv s ASP 347 CO 0.60 0.28 1.81 0.00 0.52 0.00 0.00 175.17 178.39 3ixv h THR 348 N 4.22 1.27 -0.26 1.71 1.03 -1.86 0.10 112.91 119.13 3ixv h THR 348 Ca -0.46 -1.34 -0.12 0.00 -0.01 0.00 0.00 66.41 64.48 3ixv h THR 348 Cb 1.14 1.72 -0.00 0.00 -1.07 0.00 0.00 68.15 69.94 3ixv h THR 348 CO 0.46 0.38 -0.31 0.28 -0.01 0.00 0.00 175.52 176.32 3ixv h SER 349 N 0.00 0.72 0.68 0.00 0.02 -1.90 -3.33 113.55 109.75 3ixv h SER 349 Ca -0.00 -0.49 -0.23 0.00 -0.84 0.00 0.00 61.79 60.23 3ixv h SER 349 Cb 0.69 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3ixv h SER 349 CO 0.05 1.07 -1.46 0.71 -1.14 0.00 0.00 176.83 176.06 3ixv h THR 350 N 0.39 0.79 -0.45 -2.27 1.35 -1.75 -3.42 112.91 107.54 3ixv h THR 350 Ca 0.03 -2.46 0.11 0.00 -0.55 0.00 0.00 66.41 63.54 3ixv h THR 350 Cb 0.89 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 3ixv h THR 350 CO 0.07 0.45 0.32 0.77 -0.25 0.00 0.00 175.52 176.88 3ixv h SER 351 N 0.00 0.10 0.40 5.36 4.64 -0.71 -1.04 113.55 122.31 3ixv h SER 351 Ca -0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 3ixv h SER 351 Cb 1.79 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3ixv h SER 351 CO 0.07 0.06 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.86 3ixv h LEU 352 N 0.11 0.00 -1.03 5.97 3.38 -1.83 -2.90 115.31 119.01 3ixv h LEU 352 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3ixv h LEU 352 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3ixv h LEU 352 CO -0.02 0.16 -0.08 0.08 0.09 0.00 0.00 178.44 178.66 3ixv h ARG 353 N 0.00 0.60 -6.59 1.13 0.11 -1.24 -3.43 114.38 104.96 3ixv h ARG 353 Ca -0.00 -0.17 -0.52 0.00 0.10 0.00 0.00 59.98 59.39 3ixv h ARG 353 Cb 0.40 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 3ixv h ARG 353 CO 0.02 0.68 0.46 0.34 0.10 0.00 0.00 179.97 181.57 3ixv s ASP 354 N -6.73 7.29 0.58 0.08 -1.08 -1.10 -4.78 116.67 110.93 3ixv s ASP 354 Ca -0.08 1.99 0.36 0.00 -0.52 0.00 0.00 52.55 54.30 3ixv s ASP 354 Cb 0.15 -2.59 1.73 0.00 -1.46 0.00 0.00 42.92 40.74 3ixv s ASP 354 CO 0.79 -0.23 2.13 -0.65 0.52 0.00 0.00 175.17 177.73 3ixv h PRO 355 N 5.58 0.00 0.00 4.34 0.11 -1.88 -2.38 132.00 137.78 3ixv h PRO 355 Ca -0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3ixv h PRO 355 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ixv h PRO 355 CO 0.74 0.04 -0.22 -0.84 -0.21 0.00 0.00 178.00 177.51 3ixv h ILE 356 N 0.00 1.09 -0.60 4.15 3.07 -1.91 -2.90 117.51 120.41 3ixv h ILE 356 Ca -0.00 -0.76 0.11 0.00 1.55 0.00 0.00 64.86 65.76 3ixv h ILE 356 Cb 0.31 1.42 -0.08 0.00 -0.27 0.00 0.00 36.82 38.20 3ixv h ILE 356 CO 0.00 0.21 0.13 0.15 -1.05 0.00 0.00 178.15 177.60 3ixv h PHE 357 N 0.00 0.21 -0.67 0.16 3.04 -1.68 -0.33 116.94 117.67 3ixv h PHE 357 Ca -0.00 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 3ixv h PHE 357 Cb 0.40 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 3ixv h PHE 357 CO 0.00 -0.02 0.10 1.88 -2.02 0.00 0.00 178.31 178.24 3ixv h TYR 358 N 0.27 1.19 -0.42 0.41 0.05 -1.71 -0.81 116.97 115.95 3ixv h TYR 358 Ca 0.31 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 3ixv h TYR 358 Cb 0.46 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3ixv h TYR 358 CO -0.24 1.00 0.22 -0.09 -1.05 0.00 0.00 178.16 178.00 3ixv h ARG 359 N 1.04 0.59 -0.33 4.88 2.43 -1.18 0.10 114.38 121.92 3ixv h ARG 359 Ca 0.20 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3ixv h ARG 359 Cb 0.46 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3ixv h ARG 359 CO 0.02 0.49 -0.04 2.35 -1.51 0.00 0.00 179.97 181.28 3ixv h TRP 360 N 0.54 0.67 -0.16 2.20 2.91 -1.00 -1.07 115.95 120.04 3ixv h TRP 360 Ca 0.15 -0.13 -0.09 0.00 1.13 0.00 0.00 58.89 59.94 3ixv h TRP 360 Cb 0.08 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 3ixv h TRP 360 CO -0.02 0.75 -0.31 0.45 -1.03 0.00 0.00 178.44 178.29 3ixv h HIS 361 N 0.39 0.36 -0.40 2.65 3.86 -0.89 -0.71 115.15 120.41 3ixv h HIS 361 Ca 0.09 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 3ixv h HIS 361 Cb 0.51 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3ixv h HIS 361 CO 0.04 0.59 -0.07 0.00 0.86 0.00 0.00 177.93 179.36 3ixv h ARG 362 N 0.28 0.68 -0.02 2.45 2.47 -0.69 0.20 114.38 119.74 3ixv h ARG 362 Ca 0.04 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3ixv h ARG 362 Cb 0.68 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.93 3ixv h ARG 362 CO 0.05 0.75 0.01 0.35 0.56 0.00 0.00 179.97 181.69 3ixv h PHE 363 N 0.63 0.03 -0.46 3.04 3.57 -0.65 0.18 116.94 123.27 3ixv h PHE 363 Ca 0.12 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3ixv h PHE 363 Cb 0.50 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3ixv h PHE 363 CO 0.02 0.03 -0.05 -0.84 -2.23 0.00 0.00 178.31 175.25 3ixv h ILE 364 N 0.02 1.25 -0.62 1.41 3.07 -0.96 -1.73 117.51 119.95 3ixv h ILE 364 Ca 0.01 -1.09 0.02 0.00 1.55 0.00 0.00 64.86 65.36 3ixv h ILE 364 Cb 0.01 0.95 -0.03 0.00 -0.27 0.00 0.00 36.82 37.48 3ixv h ILE 364 CO -0.00 0.38 0.41 -0.78 -1.05 0.00 0.00 178.15 177.11 3ixv h ASP 365 N 0.74 0.66 -0.79 2.16 3.58 -0.10 0.38 116.42 123.05 3ixv h ASP 365 Ca 0.13 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.59 3ixv h ASP 365 Cb 0.52 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 3ixv h ASP 365 CO 0.03 0.47 0.52 0.78 -2.88 0.00 0.00 179.24 178.16 3ixv h ASN 366 N 0.78 0.89 -0.55 2.28 2.35 -0.03 -0.13 115.58 121.17 3ixv h ASN 366 Ca 0.24 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3ixv h ASN 366 Cb 0.02 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 3ixv h ASN 366 CO -0.06 0.64 0.34 0.40 -1.65 0.00 0.00 177.43 177.10 3ixv h ILE 367 N 1.05 1.16 -0.65 2.81 2.04 -0.78 -0.64 117.51 122.50 3ixv h ILE 367 Ca 0.29 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3ixv h ILE 367 Cb -0.10 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 3ixv h ILE 367 CO -0.07 0.16 0.13 -0.26 0.00 0.00 0.00 178.15 178.11 3ixv h PHE 368 N 0.74 1.10 -0.73 1.37 0.04 -1.06 -2.60 116.94 115.79 3ixv h PHE 368 Ca 0.20 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 3ixv h PHE 368 Cb -0.03 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 3ixv h PHE 368 CO -0.03 0.91 0.35 1.96 -0.60 0.00 0.00 178.31 180.91 3ixv h GLN 369 N 0.99 1.04 -0.75 1.51 1.08 -0.04 -0.62 115.11 118.31 3ixv h GLN 369 Ca 0.20 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3ixv h GLN 369 Cb 0.39 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 3ixv h GLN 369 CO 0.01 0.80 0.35 0.93 -0.95 0.00 0.00 178.83 179.96 3ixv h GLU 370 N 1.03 1.09 -0.45 1.46 5.08 -0.76 0.18 114.58 122.21 3ixv h GLU 370 Ca 0.25 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3ixv h GLU 370 Cb 0.10 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3ixv h GLU 370 CO -0.03 0.85 0.16 1.25 -1.00 0.00 0.00 179.01 180.23 3ixv h HIS 371 N 1.08 0.70 -0.44 4.33 2.76 -1.16 -2.15 115.15 120.27 3ixv h HIS 371 Ca 0.26 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3ixv h HIS 371 Cb 0.13 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 3ixv h HIS 371 CO 0.01 0.62 0.18 0.87 -1.30 0.00 0.00 177.93 178.31 3ixv h LYS 372 N 0.58 0.62 -0.53 5.26 1.79 -0.10 -1.03 116.57 123.17 3ixv h LYS 372 Ca 0.15 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3ixv h LYS 372 Cb 0.23 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 3ixv h LYS 372 CO -0.01 0.52 0.29 0.87 -1.08 0.00 0.00 179.45 180.04 3ixv h LYS 373 N 0.62 0.72 0.00 3.15 1.57 -0.04 -0.80 116.57 121.79 3ixv h LYS 373 Ca 0.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3ixv h LYS 373 Cb 0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ixv h LYS 373 CO -0.02 0.53 -0.07 0.66 -0.57 0.00 0.00 179.45 179.99 3ixv h SER 374 N 0.73 0.00 -4.04 0.86 4.64 -0.87 -3.43 113.55 111.44 3ixv h SER 374 Ca 0.19 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.04 3ixv h SER 374 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3ixv h SER 374 CO -0.03 0.07 0.30 -0.36 -0.87 0.00 0.00 176.83 175.94 3ixv s PHE 375 N -3.98 3.40 0.60 4.77 0.40 -0.31 -5.03 117.98 117.84 3ixv s PHE 375 Ca -0.02 1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 57.62 3ixv s PHE 375 Cb 0.12 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 3ixv s PHE 375 CO 0.54 -0.20 1.03 -1.01 0.70 0.00 0.00 175.22 176.27 3ixv s HIS 376 N -2.38 3.42 1.07 0.36 3.76 -1.26 -4.83 115.29 115.42 3ixv s HIS 376 Ca 0.58 1.39 -0.16 0.00 -0.15 0.00 0.00 55.06 56.72 3ixv s HIS 376 Cb -0.10 -2.80 0.23 0.00 1.11 0.00 0.00 32.58 31.02 3ixv s HIS 376 CO 0.24 -0.76 1.16 -2.14 -0.85 0.00 0.00 174.74 172.40 3ixv s PRO 377 N -4.75 -0.19 -0.14 8.40 0.02 -1.26 -4.88 135.00 132.20 3ixv s PRO 377 Ca 0.57 -0.03 -0.11 0.00 0.02 0.00 0.00 61.00 61.46 3ixv s PRO 377 Cb -0.12 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 3ixv s PRO 377 CO 0.46 -3.03 0.23 0.71 -0.33 0.00 0.00 177.00 175.04 3ixv s TYR 378 N -3.26 3.52 0.74 6.54 2.02 -1.26 -5.08 117.35 120.57 3ixv s TYR 378 Ca 0.70 0.57 -0.09 0.00 -0.37 0.00 0.00 57.07 57.87 3ixv s TYR 378 Cb -0.10 -2.18 0.06 0.00 -0.40 0.00 0.00 41.96 39.34 3ixv s TYR 378 CO 0.55 0.45 1.08 0.99 -1.57 0.00 0.00 175.55 177.05 3ixv s THR 379 N -0.19 2.35 0.37 -0.71 2.01 -1.26 -4.93 115.64 113.29 3ixv s THR 379 Ca 0.15 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.13 3ixv s THR 379 Cb -0.13 -3.07 0.21 0.00 0.01 0.00 0.00 72.50 69.52 3ixv s THR 379 CO 0.04 -0.08 1.97 0.11 -0.69 0.00 0.00 174.62 175.96 3ixv h LYS 380 N -0.77 0.54 -0.33 4.92 1.57 -1.99 -2.36 116.57 118.14 3ixv h LYS 380 Ca -0.45 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3ixv h LYS 380 Cb 1.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 3ixv h LYS 380 CO 0.63 0.46 0.13 1.49 -0.57 0.00 0.00 179.45 181.59 3ixv h GLU 381 N 0.53 0.27 -0.30 3.15 4.57 -1.92 0.45 114.58 121.34 3ixv h GLU 381 Ca 0.13 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3ixv h GLU 381 Cb 0.14 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3ixv h GLU 381 CO -0.01 0.18 -0.09 1.49 -1.18 0.00 0.00 179.01 179.40 3ixv h GLU 382 N 0.28 0.58 -0.03 1.92 4.57 -1.80 -3.30 114.58 116.79 3ixv h GLU 382 Ca 0.15 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3ixv h GLU 382 Cb 0.11 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3ixv h GLU 382 CO -0.14 0.78 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.35 3ixv h LEU 383 N 0.34 0.11-10.04 1.64 3.38 -1.12 -3.47 115.31 106.15 3ixv h LEU 383 Ca 0.07 -0.54 -0.50 0.00 0.09 0.00 0.00 57.88 57.00 3ixv h LEU 383 Cb 0.58 -0.03 0.07 0.00 0.09 0.00 0.00 40.66 41.36 3ixv h LEU 383 CO 0.03 0.63 0.45 -0.44 0.09 0.00 0.00 178.44 179.20 3ixv s SER 384 N -5.87 5.97 -0.28 -0.43 0.01 0.15 -4.92 113.70 108.32 3ixv s SER 384 Ca -0.16 2.23 0.02 0.00 1.31 0.00 0.00 55.95 59.35 3ixv s SER 384 Cb 0.02 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.74 3ixv s SER 384 CO 0.70 -1.05 -0.02 0.12 0.41 0.00 0.00 173.24 173.40 3ixv s PHE 385 N -1.67 3.05 0.48 2.43 5.36 -1.26 -4.91 117.98 121.46 3ixv s PHE 385 Ca 0.68 -2.35 -0.21 0.00 -0.96 0.00 0.00 56.93 54.09 3ixv s PHE 385 Cb -0.26 -2.15 -0.08 0.00 -0.34 0.00 0.00 43.02 40.20 3ixv s PHE 385 CO 0.30 -0.88 1.09 -2.14 -1.46 0.00 0.00 175.22 172.14 3ixv s PRO 386 N 1.16 3.75 0.00 10.12 0.02 -1.26 -2.86 135.00 145.93 3ixv s PRO 386 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3ixv s PRO 386 Cb -0.19 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3ixv s PRO 386 CO -0.08 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3ixv n GLY 387 N 0.14 2.71 3.64 0.52 0.00 -1.26 -4.93 105.19 106.01 3ixv n GLY 387 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3ixv n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixv s VAL 388 N -2.10 4.49 -0.01 1.61 1.01 -1.14 -0.00 120.40 124.26 3ixv s VAL 388 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.86 3ixv s VAL 388 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3ixv s VAL 388 CO 0.00 0.53 -0.12 -0.70 0.00 0.00 0.00 175.10 174.81 3ixv s GLU 389 N -0.13 1.04 -0.36 2.72 2.12 -0.56 -4.18 118.70 119.34 3ixv s GLU 389 Ca 0.05 -0.42 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 3ixv s GLU 389 Cb -0.12 -0.99 -0.01 0.00 0.26 0.00 0.00 34.13 33.27 3ixv s GLU 389 CO 0.02 0.24 0.29 0.08 -0.54 0.00 0.00 175.26 175.34 3ixv s VAL 390 N -0.18 5.25 -0.01 3.70 1.01 -0.51 -0.43 120.40 129.23 3ixv s VAL 390 Ca 0.03 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 3ixv s VAL 390 Cb -0.06 -3.80 -0.21 0.00 0.00 0.00 0.00 36.38 32.32 3ixv s VAL 390 CO -0.00 -0.11 1.15 0.58 0.00 0.00 0.00 175.10 176.71 3ixv h VAL 391 N 5.54 1.45 -1.43 2.92 2.07 -1.40 -3.47 116.25 121.94 3ixv h VAL 391 Ca -0.30 -1.78 0.29 0.00 0.82 0.00 0.00 66.70 65.73 3ixv h VAL 391 Cb 1.14 2.44 -0.16 0.00 -1.52 0.00 0.00 31.29 33.19 3ixv h VAL 391 CO 0.67 0.51 0.83 -0.83 0.02 0.00 0.00 177.57 178.77 3ixv s GLY 392 N -3.81 -0.34 0.03 2.17 0.00 -1.20 -4.99 107.32 99.18 3ixv s GLY 392 Ca -0.15 1.21 0.02 0.00 0.00 0.00 0.00 44.72 45.81 3ixv s GLY 392 CO 0.77 0.35 -0.08 0.14 0.00 0.00 0.00 173.10 174.28 3ixv s VAL 393 N -2.39 0.57 0.00 1.40 1.01 -1.26 -1.01 120.40 118.72 3ixv s VAL 393 Ca 0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3ixv s VAL 393 Cb 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 3ixv s VAL 393 CO -0.04 -0.19 0.03 -0.44 0.00 0.00 0.00 175.10 174.45 3ixv s SER 394 N -1.10 0.09 -0.13 3.32 0.01 -0.33 -4.93 113.70 110.63 3ixv s SER 394 Ca -0.05 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 3ixv s SER 394 Cb -0.07 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 3ixv s SER 394 CO 0.00 -0.20 -0.11 0.27 0.41 0.00 0.00 173.24 173.62 3ixv s ILE 395 N -0.86 3.28 -0.16 1.44 -4.36 -1.26 -0.59 121.20 118.69 3ixv s ILE 395 Ca -0.09 -0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 59.65 3ixv s ILE 395 Cb -0.06 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3ixv s ILE 395 CO -0.00 0.53 0.03 0.20 0.24 0.00 0.00 174.94 175.93 3ixv s ASN 396 N 0.22 5.36 0.00 4.36 -0.87 0.25 -0.75 114.94 123.50 3ixv s ASN 396 Ca -0.07 0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 3ixv s ASN 396 Cb -0.15 -1.85 0.00 0.00 -0.02 0.00 0.00 41.25 39.23 3ixv s ASN 396 CO 0.05 0.21 0.00 -1.20 -2.57 0.00 0.00 177.10 173.58 3ixv n SER 397 N 3.30 0.00 -0.14 -1.22 7.64 -1.26 -1.35 113.62 120.58 3ixv n SER 397 Ca -0.17 -0.11 -0.08 0.00 1.01 0.00 0.00 58.87 59.52 3ixv n SER 397 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 3ixv n SER 397 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3ixv h LYS 398 N 0.00 0.54 -5.68 1.43 1.63 -1.85 -3.38 116.57 109.25 3ixv h LYS 398 Ca 0.00 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.09 3ixv h LYS 398 Cb 0.00 -0.12 -0.29 0.00 -0.60 0.00 0.00 32.23 31.22 3ixv h LYS 398 CO 0.00 0.36 -0.82 0.99 -3.45 0.00 0.00 179.45 176.52 3ixv s THR 399 N -6.16 2.57 0.35 1.00 2.01 -1.26 -5.08 115.64 109.07 3ixv s THR 399 Ca -0.13 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 3ixv s THR 399 Cb 0.11 -2.01 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 3ixv s THR 399 CO 0.73 0.56 1.35 0.00 -0.69 0.00 0.00 174.62 176.56 3ixv s ALA 400 N 0.02 3.49 -1.11 7.40 0.00 -1.26 -1.99 121.76 128.31 3ixv s ALA 400 Ca -0.07 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3ixv s ALA 400 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3ixv s ALA 400 CO 0.05 -0.76 0.00 0.09 0.00 0.00 0.00 175.76 175.14 3ixv n ASN 401 N 0.64 -4.79 -4.04 0.00 3.02 0.07 -4.96 115.26 105.20 3ixv n ASN 401 Ca 0.01 0.26 -0.21 0.00 -0.03 0.00 0.00 54.58 54.60 3ixv n ASN 401 Cb 0.41 -3.21 -0.15 0.00 -0.61 0.00 0.00 39.78 36.22 3ixv n ASN 401 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ixv s VAL 402 N -2.21 0.90 -0.05 2.41 -7.23 -0.84 -1.28 120.40 112.09 3ixv s VAL 402 Ca 0.00 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 3ixv s VAL 402 Cb 0.00 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 3ixv s VAL 402 CO 0.00 0.27 -0.17 -0.51 -0.31 0.00 0.00 175.10 174.38 3ixv s ILE 403 N -0.00 2.85 -0.07 -0.62 2.07 -0.15 -4.49 121.20 120.78 3ixv s ILE 403 Ca -0.00 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.44 3ixv s ILE 403 Cb -0.07 -2.10 -0.03 0.00 0.13 0.00 0.00 42.46 40.39 3ixv s ILE 403 CO 0.00 0.59 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.67 3ixv s THR 404 N -0.64 3.81 0.01 4.00 2.01 -1.26 -1.29 115.64 122.28 3ixv s THR 404 Ca 0.10 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.71 3ixv s THR 404 Cb -0.11 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3ixv s THR 404 CO 0.01 0.59 -0.19 0.28 -0.69 0.00 0.00 174.62 174.62 3ixv s THR 405 N -0.83 1.51 0.35 -0.82 -1.32 -0.64 -1.11 115.64 112.77 3ixv s THR 405 Ca 0.13 -0.95 0.01 0.00 -1.21 0.00 0.00 61.69 59.67 3ixv s THR 405 Cb -0.11 -1.28 -0.00 0.00 -1.51 0.00 0.00 72.50 69.59 3ixv s THR 405 CO 0.02 0.31 0.43 -0.76 -2.21 0.00 0.00 174.62 172.41 3ixv s LEU 406 N -0.74 1.26 -0.11 9.08 1.02 0.86 -0.03 118.68 130.02 3ixv s LEU 406 Ca 0.07 -1.60 -0.04 0.00 0.02 0.00 0.00 54.13 52.58 3ixv s LEU 406 Cb -0.08 1.23 -0.04 0.00 0.02 0.00 0.00 46.19 47.32 3ixv s LEU 406 CO 0.00 -1.26 0.04 -0.51 0.02 0.00 0.00 176.35 174.65 3ixv s ILE 407 N -3.07 4.63 0.04 -0.59 -1.16 -1.26 0.47 121.20 120.26 3ixv s ILE 407 Ca 0.34 -0.12 0.07 0.00 -0.51 0.00 0.00 60.65 60.43 3ixv s ILE 407 Cb 0.00 -2.99 -0.02 0.00 0.61 0.00 0.00 42.46 40.06 3ixv s ILE 407 CO 0.23 0.58 -0.20 -0.75 -2.81 0.00 0.00 174.94 172.00 3ixv s LYS 408 N -0.64 1.35 0.29 3.50 2.20 0.74 -4.92 119.74 122.26 3ixv s LYS 408 Ca 0.11 -0.89 -0.15 0.00 -0.36 0.00 0.00 55.97 54.68 3ixv s LYS 408 Cb -0.12 -1.44 -0.09 0.00 -1.51 0.00 0.00 37.83 34.68 3ixv s LYS 408 CO 0.02 0.37 0.70 -1.83 -0.36 0.00 0.00 175.35 174.25 3ixv s GLU 409 N -1.10 4.00 0.16 4.03 -1.05 -1.26 -0.80 118.70 122.68 3ixv s GLU 409 Ca 0.07 0.62 -0.09 0.00 -0.15 0.00 0.00 54.97 55.42 3ixv s GLU 409 Cb -0.09 -2.53 -0.01 0.00 -0.44 0.00 0.00 34.13 31.07 3ixv s GLU 409 CO 0.01 0.22 0.29 0.45 0.95 0.00 0.00 175.26 177.18 3ixv s SER 410 N -2.20 0.03 0.07 0.83 0.15 0.23 -4.94 113.70 107.86 3ixv s SER 410 Ca 0.51 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 56.40 3ixv s SER 410 Cb -0.11 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.60 3ixv s SER 410 CO 0.18 -0.88 -0.18 -0.76 1.20 0.00 0.00 173.24 172.80 3ixv s LEU 411 N -2.95 2.23 -0.03 3.45 1.43 -1.26 0.05 118.68 121.60 3ixv s LEU 411 Ca 0.15 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3ixv s LEU 411 Cb 0.03 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 3ixv s LEU 411 CO -0.01 0.06 -0.23 -0.22 0.23 0.00 0.00 176.35 176.18 3ixv s LEU 412 N -1.50 2.03 -0.28 1.79 2.96 0.11 -4.91 118.68 118.88 3ixv s LEU 412 Ca 0.04 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 3ixv s LEU 412 Cb -0.09 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 3ixv s LEU 412 CO 0.03 0.26 0.38 -0.70 -1.32 0.00 0.00 176.35 174.99 3ixv s GLU 413 N -0.36 3.93 0.24 1.98 2.12 -1.26 -0.62 118.70 124.74 3ixv s GLU 413 Ca 0.04 -0.03 0.11 0.00 0.36 0.00 0.00 54.97 55.44 3ixv s GLU 413 Cb -0.11 -3.69 0.20 0.00 0.26 0.00 0.00 34.13 30.80 3ixv s GLU 413 CO 0.01 -0.33 1.51 -0.07 -0.54 0.00 0.00 175.26 175.84 3ixv h LEU 414 N 8.65 0.00 -1.31 2.70 3.38 -1.34 -3.40 115.31 124.00 3ixv h LEU 414 Ca -0.31 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.86 3ixv h LEU 414 Cb 1.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 3ixv h LEU 414 CO 0.66 0.70 0.61 0.28 0.09 0.00 0.00 178.44 180.78 3ixv h SER 415 N 0.00 0.56 -0.43 -0.43 0.02 -1.81 0.98 113.55 112.44 3ixv h SER 415 Ca -0.01 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 3ixv h SER 415 Cb 1.30 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3ixv h SER 415 CO 0.09 0.21 -0.24 0.45 -1.14 0.00 0.00 176.83 176.19 3ixv h HIS 416 N 0.55 1.09 -0.06 3.45 3.86 -1.78 -3.32 115.15 118.94 3ixv h HIS 416 Ca 0.52 -0.27 -0.12 0.00 -1.16 0.00 0.00 60.37 59.34 3ixv h HIS 416 Cb 1.10 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 29.32 3ixv h HIS 416 CO -0.00 1.08 -0.42 0.78 0.86 0.00 0.00 177.93 180.23 3ixv h GLY 417 N 0.88 0.44 -2.60 2.45 0.00 0.26 -3.40 103.07 101.11 3ixv h GLY 417 Ca 0.10 -0.65 -0.63 0.00 0.00 0.00 0.00 47.33 46.16 3ixv h GLY 417 CO 0.07 0.57 -0.78 -0.26 0.00 0.00 0.00 176.54 176.14 3ixv s ILE 418 N -3.56 2.45 -0.11 2.60 -0.00 -0.74 -4.80 121.20 117.05 3ixv s ILE 418 Ca -0.14 -2.25 -0.29 0.00 -0.00 0.00 0.00 60.65 57.97 3ixv s ILE 418 Cb 0.04 -2.25 -0.06 0.00 -0.00 0.00 0.00 42.46 40.19 3ixv s ILE 418 CO 0.80 -0.29 1.94 0.21 -0.00 0.00 0.00 174.94 177.60 3ixv s ASN 419 N -3.19 6.15 0.09 4.36 3.84 -1.26 -4.56 114.94 120.36 3ixv s ASN 419 Ca 0.27 2.16 -0.14 0.00 0.21 0.00 0.00 52.86 55.36 3ixv s ASN 419 Cb -0.06 -2.52 -0.20 0.00 -0.55 0.00 0.00 41.25 37.92 3ixv s ASN 419 CO 0.13 -1.37 1.24 2.19 -2.79 0.00 0.00 177.10 176.51 3ixv h PHE 420 N 11.90 1.05 0.00 0.43 -0.00 -1.91 -3.49 116.94 124.92 3ixv h PHE 420 Ca -0.43 -0.52 0.00 0.00 -0.00 0.00 0.00 57.97 57.02 3ixv h PHE 420 Cb 1.21 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 3ixv h PHE 420 CO 0.94 1.36 0.00 0.41 -0.00 0.00 0.00 178.31 181.01 3ixv n GLY 421 N 0.90 1.50 0.21 6.09 0.00 -1.26 -3.12 105.19 109.51 3ixv n GLY 421 Ca -0.09 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3ixv n GLY 421 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ixv h THR 422 N 0.00 1.31 -3.98 2.61 1.35 -1.92 -3.46 112.91 108.82 3ixv h THR 422 Ca 0.00 -1.93 -0.53 0.00 -0.55 0.00 0.00 66.41 63.40 3ixv h THR 422 Cb 0.00 1.90 0.10 0.00 -1.73 0.00 0.00 68.15 68.42 3ixv h THR 422 CO 0.00 0.60 0.64 1.51 -0.25 0.00 0.00 175.52 178.02 3ixv s ASP 423 N -7.00 6.01 0.07 5.36 1.47 -1.18 -4.60 116.67 116.80 3ixv s ASP 423 Ca -0.08 2.76 -0.17 0.00 1.18 0.00 0.00 52.55 56.23 3ixv s ASP 423 Cb 0.10 -2.64 -0.11 0.00 -0.34 0.00 0.00 42.92 39.93 3ixv s ASP 423 CO 0.87 -1.07 1.39 1.56 0.68 0.00 0.00 175.17 178.61 3ixv h GLN 424 N 2.37 0.53 -2.34 2.11 4.20 -1.69 -3.47 115.11 116.82 3ixv h GLN 424 Ca -0.50 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 57.85 3ixv h GLN 424 Cb 1.26 0.01 -0.21 0.00 0.30 0.00 0.00 27.48 28.84 3ixv h GLN 424 CO 0.61 0.86 0.00 0.45 -0.67 0.00 0.00 178.83 180.08 3ixv s SER 425 N -6.33 -0.54 -0.14 1.46 0.15 -1.26 -4.98 113.70 102.06 3ixv s SER 425 Ca -0.13 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.32 3ixv s SER 425 Cb 0.07 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.17 3ixv s SER 425 CO 0.79 -0.40 -0.18 0.68 1.20 0.00 0.00 173.24 175.33 3ixv s VAL 426 N -0.58 1.79 0.06 4.45 -7.23 -1.26 -2.30 120.40 115.33 3ixv s VAL 426 Ca -0.07 -0.79 0.09 0.00 -1.81 0.00 0.00 61.98 59.40 3ixv s VAL 426 Cb -0.03 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 3ixv s VAL 426 CO 0.05 0.50 -0.26 -0.54 -0.31 0.00 0.00 175.10 174.54 3ixv s LYS 427 N 1.14 1.70 -0.07 4.82 -0.14 -0.80 -0.87 119.74 125.53 3ixv s LYS 427 Ca -0.01 -1.13 0.03 0.00 -1.36 0.00 0.00 55.97 53.49 3ixv s LYS 427 Cb -0.14 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.06 3ixv s LYS 427 CO -0.07 0.49 -0.13 0.54 -0.76 0.00 0.00 175.35 175.42 3ixv s VAL 428 N -0.85 3.13 -0.18 3.17 0.11 0.21 -1.28 120.40 124.71 3ixv s VAL 428 Ca 0.12 -0.69 -0.10 0.00 -2.93 0.00 0.00 61.98 58.38 3ixv s VAL 428 Cb -0.10 -2.25 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 3ixv s VAL 428 CO 0.03 0.58 0.15 -0.75 -3.33 0.00 0.00 175.10 171.77 3ixv s LYS 429 N -0.52 4.08 0.23 1.54 2.20 0.24 0.09 119.74 127.60 3ixv s LYS 429 Ca 0.07 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 3ixv s LYS 429 Cb -0.12 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3ixv s LYS 429 CO 0.02 0.37 0.10 1.52 -0.36 0.00 0.00 175.35 176.99 3ixv s TYR 430 N 0.14 1.40 0.09 4.03 -0.85 0.11 0.61 117.35 122.88 3ixv s TYR 430 Ca 0.10 -1.22 0.09 0.00 -0.52 0.00 0.00 57.07 55.52 3ixv s TYR 430 Cb -0.11 -0.78 -0.03 0.00 0.38 0.00 0.00 41.96 41.41 3ixv s TYR 430 CO -0.00 -0.41 -0.23 -1.01 -1.52 0.00 0.00 175.55 172.38 3ixv s HIS 431 N -3.86 1.94 0.13 -3.49 3.76 -1.26 0.75 115.29 113.26 3ixv s HIS 431 Ca 0.37 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.81 3ixv s HIS 431 Cb 0.07 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 3ixv s HIS 431 CO 0.12 0.20 0.19 -3.38 -0.85 0.00 0.00 174.74 171.02 3ixv s HIS 432 N -1.03 0.47 0.47 1.40 -3.43 0.02 -4.93 115.29 108.26 3ixv s HIS 432 Ca 0.09 -0.86 -0.20 0.00 -0.80 0.00 0.00 55.06 53.28 3ixv s HIS 432 Cb -0.10 -0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 30.78 3ixv s HIS 432 CO 0.04 -0.61 1.01 -1.17 -2.00 0.00 0.00 174.74 172.01 3ixv s LEU 433 N -2.96 3.87 0.16 5.38 2.96 -1.26 -0.18 118.68 126.64 3ixv s LEU 433 Ca 0.16 1.86 -0.17 0.00 -0.22 0.00 0.00 54.13 55.76 3ixv s LEU 433 Cb 0.05 -4.55 0.03 0.00 0.50 0.00 0.00 46.19 42.22 3ixv s LEU 433 CO -0.02 -0.67 0.46 -0.62 -1.32 0.00 0.00 176.35 174.17 3ixv s ASP 434 N -2.04 -0.26 0.10 3.68 -1.08 0.18 -4.54 116.67 112.71 3ixv s ASP 434 Ca 0.66 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 3ixv s ASP 434 Cb -0.14 0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 41.80 3ixv s ASP 434 CO 0.18 -0.94 -0.03 -1.38 0.52 0.00 0.00 175.17 173.52 3ixv s HIS 435 N -3.83 0.82 0.57 -5.34 -3.43 -1.26 -0.10 115.29 102.72 3ixv s HIS 435 Ca 0.06 -1.03 -0.18 0.00 -0.80 0.00 0.00 55.06 53.11 3ixv s HIS 435 Cb 0.01 -0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 30.61 3ixv s HIS 435 CO -0.08 -0.28 1.10 -2.00 -2.00 0.00 0.00 174.74 171.47 3ixv s GLU 436 N -3.90 3.32 0.52 -0.38 2.12 -0.27 -4.98 118.70 115.12 3ixv s GLU 436 Ca 0.14 1.45 -0.20 0.00 0.36 0.00 0.00 54.97 56.71 3ixv s GLU 436 Cb 0.07 -2.02 -0.07 0.00 0.26 0.00 0.00 34.13 32.37 3ixv s GLU 436 CO -0.04 -0.85 1.12 -2.14 -0.54 0.00 0.00 175.26 172.81 3ixv s PRO 437 N -3.58 3.52 0.21 4.30 0.02 -1.26 -4.80 135.00 133.41 3ixv s PRO 437 Ca 0.69 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 63.17 3ixv s PRO 437 Cb -0.20 -2.10 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 3ixv s PRO 437 CO 0.30 -0.70 0.41 -0.59 -0.33 0.00 0.00 177.00 176.09 3ixv s PHE 438 N -1.77 0.30 0.17 6.54 -0.12 -1.26 -4.74 117.98 117.10 3ixv s PHE 438 Ca 0.70 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.96 3ixv s PHE 438 Cb -0.23 0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.24 3ixv s PHE 438 CO 0.27 -0.87 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.45 3ixv s THR 439 N -3.98 0.93 0.02 -4.49 -1.32 -0.46 -0.95 115.64 105.39 3ixv s THR 439 Ca 0.18 -2.02 0.09 0.00 -1.21 0.00 0.00 61.69 58.73 3ixv s THR 439 Cb 0.01 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.91 3ixv s THR 439 CO 0.04 -0.55 -0.26 -0.31 -2.21 0.00 0.00 174.62 171.33 3ixv s TYR 440 N -3.49 2.34 -0.16 9.09 2.02 0.09 -0.59 117.35 126.66 3ixv s TYR 440 Ca 0.22 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3ixv s TYR 440 Cb 0.05 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 3ixv s TYR 440 CO 0.03 0.07 -0.12 1.21 -1.57 0.00 0.00 175.55 175.18 3ixv s ASN 441 N -1.00 2.84 -0.14 2.29 3.84 0.24 -2.03 114.94 120.98 3ixv s ASN 441 Ca 0.11 -0.60 0.00 0.00 0.21 0.00 0.00 52.86 52.59 3ixv s ASN 441 Cb -0.10 -1.13 -0.01 0.00 -0.55 0.00 0.00 41.25 39.46 3ixv s ASN 441 CO 0.01 -0.10 -0.15 -0.51 -2.79 0.00 0.00 177.10 173.56 3ixv s ILE 442 N 1.50 2.77 -0.23 -5.21 1.10 0.03 -1.19 121.20 119.97 3ixv s ILE 442 Ca 0.03 -0.75 -0.11 0.00 -0.51 0.00 0.00 60.65 59.31 3ixv s ILE 442 Cb -0.14 -2.16 -0.05 0.00 0.15 0.00 0.00 42.46 40.26 3ixv s ILE 442 CO -0.09 0.52 0.20 -0.69 -2.11 0.00 0.00 174.94 172.77 3ixv s VAL 443 N 0.59 5.33 0.01 4.00 1.01 -0.18 -0.47 120.40 130.70 3ixv s VAL 443 Ca -0.09 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3ixv s VAL 443 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3ixv s VAL 443 CO 0.03 0.34 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 3ixv s VAL 444 N 1.04 1.18 -0.23 2.92 1.01 0.03 -0.98 120.40 125.37 3ixv s VAL 444 Ca 0.10 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3ixv s VAL 444 Cb -0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3ixv s VAL 444 CO 0.05 0.23 0.07 -0.70 0.00 0.00 0.00 175.10 174.75 3ixv s GLU 445 N -0.62 3.76 -0.47 2.72 2.56 0.42 -0.65 118.70 126.42 3ixv s GLU 445 Ca 0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 54.97 54.46 3ixv s GLU 445 Cb -0.06 -3.31 0.10 0.00 2.00 0.00 0.00 34.13 32.85 3ixv s GLU 445 CO 0.00 -0.06 0.36 1.21 -0.56 0.00 0.00 175.26 176.22 3ixv s ASN 446 N 1.28 5.90 0.31 -1.70 3.84 -0.52 -1.50 114.94 122.55 3ixv s ASN 446 Ca 0.05 -1.61 0.10 0.00 0.21 0.00 0.00 52.86 51.61 3ixv s ASN 446 Cb -0.15 -2.09 0.49 0.00 -0.55 0.00 0.00 41.25 38.95 3ixv s ASN 446 CO 0.04 -0.67 1.70 0.78 -2.79 0.00 0.00 177.10 176.16 3ixv h ASN 447 N 8.61 0.06 -4.20 -4.21 2.35 -0.73 -1.53 115.58 115.93 3ixv h ASN 447 Ca -0.25 -0.03 -0.51 0.00 -0.55 0.00 0.00 56.30 54.96 3ixv h ASN 447 Cb 1.09 -0.02 0.16 0.00 0.05 0.00 0.00 38.32 39.60 3ixv h ASN 447 CO 0.87 0.55 0.26 -0.94 -1.65 0.00 0.00 177.43 176.53 3ixv s SER 448 N -6.89 3.70 0.25 5.81 1.04 -1.26 -4.92 113.70 111.44 3ixv s SER 448 Ca -0.03 1.84 0.03 0.00 0.48 0.00 0.00 55.95 58.28 3ixv s SER 448 Cb 0.13 -2.45 0.31 0.00 0.10 0.00 0.00 66.02 64.11 3ixv s SER 448 CO 0.75 -2.55 1.62 1.23 0.98 0.00 0.00 173.24 175.27 3ixv h GLY 449 N -1.49 0.36 -2.24 7.32 0.00 -2.00 -3.43 103.07 101.60 3ixv h GLY 449 Ca -0.45 -0.38 -0.52 0.00 0.00 0.00 0.00 47.33 45.97 3ixv h GLY 449 CO 0.49 0.34 -0.47 0.00 0.00 0.00 0.00 176.54 176.91 3ixv s ALA 450 N -4.02 3.74 0.35 3.60 0.00 -1.26 -4.73 121.76 119.44 3ixv s ALA 450 Ca -0.05 -1.86 -0.27 0.00 0.00 0.00 0.00 51.96 49.78 3ixv s ALA 450 Cb 0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 3ixv s ALA 450 CO 0.80 -0.08 1.15 -1.21 0.00 0.00 0.00 175.76 176.42 3ixv s GLU 451 N -3.96 4.31 0.34 0.00 2.02 -1.26 -4.44 118.70 115.71 3ixv s GLU 451 Ca 0.42 1.84 0.09 0.00 0.02 0.00 0.00 54.97 57.34 3ixv s GLU 451 Cb -0.02 -2.89 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 3ixv s GLU 451 CO 0.25 -0.10 -0.03 0.15 0.02 0.00 0.00 175.26 175.56 3ixv s LYS 452 N -1.96 1.99 -0.10 1.61 3.01 0.71 -4.93 119.74 120.07 3ixv s LYS 452 Ca 0.52 -1.81 0.04 0.00 -1.01 0.00 0.00 55.97 53.70 3ixv s LYS 452 Cb -0.31 -1.85 0.00 0.00 -1.01 0.00 0.00 37.83 34.66 3ixv s LYS 452 CO 0.40 0.14 -0.23 -1.01 0.51 0.00 0.00 175.35 175.16 3ixv s HIS 453 N -2.55 2.52 0.09 3.18 3.76 -1.26 0.21 115.29 121.24 3ixv s HIS 453 Ca 0.34 -1.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.24 3ixv s HIS 453 Cb 0.01 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 3ixv s HIS 453 CO 0.18 -0.43 -0.11 -1.54 -0.85 0.00 0.00 174.74 171.99 3ixv s SER 454 N 0.39 1.50 -0.23 1.40 1.04 0.61 -1.70 113.70 116.72 3ixv s SER 454 Ca -0.18 -0.72 -0.08 0.00 0.48 0.00 0.00 55.95 55.44 3ixv s SER 454 Cb -0.18 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 3ixv s SER 454 CO 0.08 -0.19 0.10 -0.89 0.98 0.00 0.00 173.24 173.32 3ixv s THR 455 N -1.95 4.84 -0.18 2.02 2.01 -0.29 -0.62 115.64 121.47 3ixv s THR 455 Ca 0.02 -0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 3ixv s THR 455 Cb -0.06 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3ixv s THR 455 CO 0.01 0.37 0.16 -0.69 -0.69 0.00 0.00 174.62 173.78 3ixv s VAL 456 N 1.04 5.40 -0.10 3.82 1.01 0.16 -1.59 120.40 130.14 3ixv s VAL 456 Ca 0.05 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3ixv s VAL 456 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ixv s VAL 456 CO 0.04 0.45 -0.23 -0.13 0.00 0.00 0.00 175.10 175.22 3ixv s ARG 457 N 0.24 2.98 -0.06 2.72 0.52 0.55 -1.65 118.95 124.25 3ixv s ARG 457 Ca 0.10 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 3ixv s ARG 457 Cb -0.11 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.10 3ixv s ARG 457 CO -0.00 0.17 -0.15 0.42 0.02 0.00 0.00 175.30 175.75 3ixv s ILE 458 N 0.37 1.31 0.15 1.52 1.01 0.09 -0.80 121.20 124.85 3ixv s ILE 458 Ca -0.18 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 59.89 3ixv s ILE 458 Cb -0.18 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3ixv s ILE 458 CO 0.08 0.39 -0.09 -0.36 0.00 0.00 0.00 174.94 174.96 3ixv s PHE 459 N 0.34 1.25 -0.03 3.97 0.40 -0.17 -0.91 117.98 122.83 3ixv s PHE 459 Ca -0.10 -0.79 0.04 0.00 -0.60 0.00 0.00 56.93 55.48 3ixv s PHE 459 Cb -0.14 -0.65 -0.00 0.00 0.51 0.00 0.00 43.02 42.74 3ixv s PHE 459 CO 0.03 0.04 -0.15 -1.17 0.70 0.00 0.00 175.22 174.68 3ixv s LEU 460 N -3.17 1.92 0.00 -0.37 2.96 -0.11 -0.94 118.68 118.98 3ixv s LEU 460 Ca 0.17 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3ixv s LEU 460 Cb 0.03 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 3ixv s LEU 460 CO 0.01 0.14 0.04 0.00 -1.32 0.00 0.00 176.35 175.22 3ixv s ALA 461 N -0.04 -0.08 0.29 5.97 0.00 -0.45 -1.09 121.76 126.38 3ixv s ALA 461 Ca -0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3ixv s ALA 461 Cb -0.09 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 3ixv s ALA 461 CO 0.01 -0.13 1.23 -1.25 0.00 0.00 0.00 175.76 175.62 3ixv s PRO 462 N -0.97 4.46 0.02 0.00 0.04 -1.26 0.88 135.00 138.17 3ixv s PRO 462 Ca -0.11 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 3ixv s PRO 462 Cb -0.06 -3.13 -0.28 0.00 0.04 0.00 0.00 34.50 31.07 3ixv s PRO 462 CO -0.00 -0.05 1.07 -0.22 0.04 0.00 0.00 177.00 177.84 3ixv h LYS 463 N 3.81 0.52 -6.17 4.56 3.64 -1.78 -3.43 116.57 117.73 3ixv h LYS 463 Ca -0.48 -0.68 -0.58 0.00 -1.27 0.00 0.00 60.65 57.65 3ixv h LYS 463 Cb 1.22 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 3ixv h LYS 463 CO 0.68 1.29 -0.18 0.71 -2.27 0.00 0.00 179.45 179.67 3ixv s TYR 464 N -2.96 3.61 0.00 1.91 1.51 -1.26 -3.24 117.35 116.92 3ixv s TYR 464 Ca -0.11 0.91 0.00 0.00 -1.01 0.00 0.00 57.07 56.86 3ixv s TYR 464 Cb 0.04 -2.25 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3ixv s TYR 464 CO 0.89 0.50 0.00 -3.47 -1.11 0.00 0.00 175.55 172.36 3ixv n ASP 465 N 0.99 0.00 -0.51 2.29 -0.08 -1.13 -4.92 116.55 113.20 3ixv n ASP 465 Ca -0.08 -0.40 0.13 0.00 -1.51 0.00 0.00 54.79 52.93 3ixv n ASP 465 Cb 0.52 0.00 0.40 0.00 2.34 0.00 0.00 41.12 44.38 3ixv n ASP 465 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3ixv n GLU 466 N -0.40 1.57 0.00 -0.67 -0.58 -1.26 -4.54 120.64 114.75 3ixv n GLU 466 Ca 0.00 -1.02 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3ixv n GLU 466 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 3ixv n GLU 466 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ixv n LEU 467 N 0.17 0.00 0.00 -4.62 7.99 -1.26 -5.12 117.00 114.16 3ixv n LEU 467 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 3ixv n LEU 467 Cb 0.40 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 3ixv n LEU 467 CO 0.19 -0.09 0.00 -3.20 -1.51 0.00 0.00 177.39 172.78 3ixv n ASN 468 N -1.52 0.00 -4.58 -1.43 2.85 -1.26 -5.12 115.26 104.20 3ixv n ASN 468 Ca 0.00 -0.91 -0.41 0.00 -0.11 0.00 0.00 54.58 53.15 3ixv n ASN 468 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 3ixv n ASN 468 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3ixv s ASN 469 N -0.76 5.48 -0.30 1.20 3.04 -1.26 -2.83 114.94 119.52 3ixv s ASN 469 Ca 0.00 1.21 0.01 0.00 0.04 0.00 0.00 52.86 54.12 3ixv s ASN 469 Cb 0.00 -2.52 0.15 0.00 -1.54 0.00 0.00 41.25 37.34 3ixv s ASN 469 CO 0.00 -2.05 0.35 -1.59 -3.04 0.00 0.00 177.10 170.77 3ixv s LYS 470 N 6.42 0.40 -1.51 0.43 -2.85 -1.20 -4.94 119.74 116.49 3ixv s LYS 470 Ca 0.84 -0.15 -0.12 0.00 -1.00 0.00 0.00 55.97 55.54 3ixv s LYS 470 Cb -0.22 -0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 34.99 3ixv s LYS 470 CO 0.30 -1.06 2.55 1.28 0.10 0.00 0.00 175.35 178.53 3ixv n LEU 471 N 5.17 7.62 -4.51 2.77 4.77 -1.26 -4.79 117.00 126.77 3ixv n LEU 471 Ca 0.01 -4.18 -0.43 0.00 -0.03 0.00 0.00 56.01 51.37 3ixv n LEU 471 Cb 0.47 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 3ixv n LEU 471 CO 0.01 1.50 0.51 -1.61 -1.33 0.00 0.00 177.39 176.46 3ixv s GLU 472 N 2.79 3.30 0.55 3.23 2.02 -1.26 -1.35 118.70 127.98 3ixv s GLU 472 Ca 0.57 -0.36 0.25 0.00 0.02 0.00 0.00 54.97 55.46 3ixv s GLU 472 Cb 0.16 -4.00 1.45 0.00 0.10 0.00 0.00 34.13 31.84 3ixv s GLU 472 CO -0.07 -1.19 2.03 -1.00 0.02 0.00 0.00 175.26 175.06 3ixv h PRO 473 N 9.03 0.00 -0.19 0.39 0.13 -1.77 -0.76 132.00 138.82 3ixv h PRO 473 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3ixv h PRO 473 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3ixv h PRO 473 CO 0.97 0.00 0.05 0.22 -0.23 0.00 0.00 178.00 179.01 3ixv h ASP 474 N 0.00 0.28 -0.21 1.44 3.58 -1.78 -2.83 116.42 116.89 3ixv h ASP 474 Ca 0.18 -0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 3ixv h ASP 474 Cb 0.78 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 3ixv h ASP 474 CO -0.00 0.43 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.31 3ixv h GLU 475 N 0.12 0.62 -0.02 0.28 5.08 -1.58 -2.71 114.58 116.37 3ixv h GLU 475 Ca 0.06 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3ixv h GLU 475 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ixv h GLU 475 CO -0.00 0.74 0.02 1.96 -1.00 0.00 0.00 179.01 180.73 3ixv h GLN 476 N 0.56 0.00 -1.01 2.33 4.20 -1.08 -2.08 115.11 118.03 3ixv h GLN 476 Ca 0.10 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.90 3ixv h GLN 476 Cb 0.58 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 3ixv h GLN 476 CO 0.04 0.00 0.64 0.00 -0.67 0.00 0.00 178.83 178.84 3ixv h ARG 477 N 0.00 1.04 -0.50 1.46 3.08 -1.31 -0.19 114.38 117.96 3ixv h ARG 477 Ca 0.01 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3ixv h ARG 477 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3ixv h ARG 477 CO -0.00 0.69 0.05 0.00 -1.07 0.00 0.00 179.97 179.64 3ixv h ARG 478 N 1.07 0.85 -0.09 0.04 2.47 -1.57 -3.26 114.38 113.89 3ixv h ARG 478 Ca 0.47 -0.24 -0.15 0.00 -1.26 0.00 0.00 59.98 58.80 3ixv h ARG 478 Cb 0.36 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3ixv h ARG 478 CO -0.23 0.86 -0.61 -0.07 0.56 0.00 0.00 179.97 180.48 3ixv h LEU 479 N 0.72 0.35 -9.69 3.04 4.07 -1.31 -3.40 115.31 109.09 3ixv h LEU 479 Ca 0.15 -0.20 -0.53 0.00 0.08 0.00 0.00 57.88 57.38 3ixv h LEU 479 Cb 0.45 -0.10 0.07 0.00 1.08 0.00 0.00 40.66 42.15 3ixv h LEU 479 CO 0.02 0.88 0.96 0.49 -1.08 0.00 0.00 178.44 179.70 3ixv n PHE 480 N -3.88 2.76 -4.65 1.13 3.72 -0.21 -4.74 117.46 111.58 3ixv n PHE 480 Ca -0.03 0.11 -0.31 0.00 -0.05 0.00 0.00 57.45 57.18 3ixv n PHE 480 Cb 0.62 -2.65 -0.12 0.00 -0.94 0.00 0.00 39.48 36.39 3ixv n PHE 480 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3ixv s ILE 481 N 0.81 2.90 -0.29 4.37 -4.36 -0.25 -4.91 121.20 119.47 3ixv s ILE 481 Ca 0.72 -1.11 -0.21 0.00 -0.26 0.00 0.00 60.65 59.79 3ixv s ILE 481 Cb -0.51 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 3ixv s ILE 481 CO 0.37 0.36 0.67 -0.70 0.24 0.00 0.00 174.94 175.89 3ixv s GLU 482 N -1.39 3.96 -0.04 0.37 2.12 -1.26 -0.93 118.70 121.52 3ixv s GLU 482 Ca 0.15 0.43 -0.22 0.00 0.36 0.00 0.00 54.97 55.69 3ixv s GLU 482 Cb -0.11 -3.71 -0.31 0.00 0.26 0.00 0.00 34.13 30.26 3ixv s GLU 482 CO 0.05 -0.57 0.91 -0.07 -0.54 0.00 0.00 175.26 175.05 3ixv h LEU 483 N 9.19 0.49 -7.00 2.70 -0.00 -1.36 -3.46 115.31 115.87 3ixv h LEU 483 Ca -0.26 -0.94 0.14 0.00 -0.00 0.00 0.00 57.88 56.82 3ixv h LEU 483 Cb 1.11 -0.16 -0.21 0.00 -0.00 0.00 0.00 40.66 41.40 3ixv h LEU 483 CO 0.82 1.39 0.65 -0.62 -0.00 0.00 0.00 178.44 180.68 3ixv s ASP 484 N -6.98 -0.27 -0.07 -0.43 2.15 -1.03 -4.36 116.67 105.67 3ixv s ASP 484 Ca -0.13 0.19 -0.03 0.00 0.43 0.00 0.00 52.55 53.00 3ixv s ASP 484 Cb 0.01 0.25 0.04 0.00 -0.30 0.00 0.00 42.92 42.92 3ixv s ASP 484 CO 0.84 -0.33 0.15 -0.75 -0.17 0.00 0.00 175.17 174.91 3ixv s LYS 485 N -1.77 0.07 0.18 4.34 2.20 -1.26 -0.73 119.74 122.79 3ixv s LYS 485 Ca 0.03 0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 55.91 3ixv s LYS 485 Cb -0.01 -0.21 0.04 0.00 -1.51 0.00 0.00 37.83 36.14 3ixv s LYS 485 CO -0.03 -0.22 0.53 -0.59 -0.36 0.00 0.00 175.35 174.68 3ixv s PHE 486 N 1.59 -0.21 -0.14 4.03 -0.71 -0.66 -4.68 117.98 117.21 3ixv s PHE 486 Ca -0.05 -0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 55.66 3ixv s PHE 486 Cb -0.12 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 3ixv s PHE 486 CO -0.06 -0.89 0.13 0.12 -1.34 0.00 0.00 175.22 173.18 3ixv s PHE 487 N -3.84 3.54 0.03 3.49 5.36 -1.26 0.38 117.98 125.67 3ixv s PHE 487 Ca 0.07 0.46 -0.05 0.00 -0.96 0.00 0.00 56.93 56.46 3ixv s PHE 487 Cb -0.01 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3ixv s PHE 487 CO -0.06 0.61 0.07 -0.47 -1.46 0.00 0.00 175.22 173.91 3ixv s TYR 488 N -0.64 0.20 -0.10 10.12 5.04 0.21 -4.96 117.35 127.22 3ixv s TYR 488 Ca 0.13 -0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 54.27 3ixv s TYR 488 Cb -0.12 -0.15 -0.03 0.00 0.35 0.00 0.00 41.96 42.01 3ixv s TYR 488 CO 0.02 -0.32 -0.07 0.99 -1.34 0.00 0.00 175.55 174.83 3ixv s THR 489 N -2.29 3.69 -0.07 4.34 2.01 -1.26 -0.28 115.64 121.77 3ixv s THR 489 Ca -0.08 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.49 3ixv s THR 489 Cb -0.03 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3ixv s THR 489 CO -0.03 0.56 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.54 3ixv s LEU 490 N -0.36 2.59 0.69 4.42 1.02 0.13 -4.96 118.68 122.21 3ixv s LEU 490 Ca 0.05 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 53.89 3ixv s LEU 490 Cb -0.12 -1.53 0.10 0.00 0.02 0.00 0.00 46.19 44.65 3ixv s LEU 490 CO 0.02 0.28 0.96 0.42 0.02 0.00 0.00 176.35 178.05 3ixv s THR 491 N -0.33 2.29 0.61 5.49 -4.23 -1.26 -0.20 115.64 118.00 3ixv s THR 491 Ca 0.03 -0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 59.84 3ixv s THR 491 Cb -0.13 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 3ixv s THR 491 CO 0.02 0.00 1.08 -2.84 -0.54 0.00 0.00 174.62 172.35 3ixv s PRO 492 N -5.10 3.16 0.55 3.99 0.02 -1.26 -4.45 135.00 131.91 3ixv s PRO 492 Ca 0.63 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.97 3ixv s PRO 492 Cb -0.07 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3ixv s PRO 492 CO 0.43 -0.96 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3ixv n GLY 493 N -0.67 -1.84 3.79 0.52 0.00 -0.58 -4.88 105.19 101.53 3ixv n GLY 493 Ca 0.10 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 3ixv n GLY 493 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixv s LYS 494 N 0.00 4.44 0.02 1.61 1.02 -1.26 -1.44 119.74 124.13 3ixv s LYS 494 Ca 0.00 1.36 0.00 0.00 0.02 0.00 0.00 55.97 57.35 3ixv s LYS 494 Cb 0.00 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 3ixv s LYS 494 CO 0.00 0.13 -0.03 -0.80 -0.92 0.00 0.00 175.35 173.73 3ixv s ASN 495 N -1.66 0.26 -0.11 2.83 0.01 0.18 -4.95 114.94 111.50 3ixv s ASN 495 Ca 0.53 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.20 3ixv s ASN 495 Cb -0.18 0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.59 3ixv s ASN 495 CO 0.24 -0.29 -0.14 0.42 -1.51 0.00 0.00 177.10 175.81 3ixv s THR 496 N -1.44 1.44 -0.17 1.60 -4.23 -1.26 -0.79 115.64 110.80 3ixv s THR 496 Ca -0.16 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 3ixv s THR 496 Cb -0.10 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 3ixv s THR 496 CO -0.01 0.43 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.80 3ixv s ILE 497 N 1.09 3.46 -0.07 2.99 1.01 0.38 -4.91 121.20 125.16 3ixv s ILE 497 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.14 3ixv s ILE 497 Cb -0.14 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3ixv s ILE 497 CO -0.03 0.48 -0.17 -0.69 0.00 0.00 0.00 174.94 174.53 3ixv s VAL 498 N 0.67 2.77 0.02 2.92 1.01 -1.26 -0.79 120.40 125.75 3ixv s VAL 498 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3ixv s VAL 498 Cb -0.15 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3ixv s VAL 498 CO 0.02 0.57 -0.04 -0.60 0.00 0.00 0.00 175.10 175.05 3ixv s ARG 499 N -0.35 0.33 0.14 2.72 6.06 -0.86 -4.96 118.95 122.03 3ixv s ARG 499 Ca 0.03 -0.44 0.04 0.00 -2.50 0.00 0.00 55.73 52.86 3ixv s ARG 499 Cb -0.12 -0.13 -0.04 0.00 0.06 0.00 0.00 34.95 34.72 3ixv s ARG 499 CO 0.02 0.02 0.17 0.54 -2.50 0.00 0.00 175.30 173.56 3ixv s ASN 500 N -0.91 5.78 0.41 -2.12 4.22 -1.26 -0.73 114.94 120.32 3ixv s ASN 500 Ca -0.07 -0.01 0.10 0.00 -2.14 0.00 0.00 52.86 50.73 3ixv s ASN 500 Cb -0.06 -1.60 0.85 0.00 1.28 0.00 0.00 41.25 41.72 3ixv s ASN 500 CO -0.00 0.08 1.97 1.12 -2.04 0.00 0.00 177.10 178.23 3ixv h HIS 501 N 2.49 0.28 -0.62 1.54 2.07 -1.43 -2.05 115.15 117.43 3ixv h HIS 501 Ca -0.48 -0.02 0.02 0.00 -2.85 0.00 0.00 60.37 57.05 3ixv h HIS 501 Cb 1.19 -0.08 -0.03 0.00 2.57 0.00 0.00 27.41 31.05 3ixv h HIS 501 CO 0.57 0.32 0.41 1.96 -3.07 0.00 0.00 177.93 178.12 3ixv h GLN 502 N 0.27 0.74 0.00 5.12 1.08 -1.94 -1.21 115.11 119.17 3ixv h GLN 502 Ca 0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ixv h GLN 502 Cb 0.24 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3ixv h GLN 502 CO 0.01 0.49 0.00 -0.44 -0.95 0.00 0.00 178.83 177.94 3ixv h ASP 503 N 0.77 0.00 -0.87 1.46 3.32 -1.78 -3.47 116.42 115.84 3ixv h ASP 503 Ca 0.24 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.60 3ixv h ASP 503 Cb 0.02 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.61 3ixv h ASP 503 CO -0.06 0.00 0.05 -0.24 -1.72 0.00 0.00 179.24 177.27 3ixv n SER 504 N -2.45 -0.02 0.22 6.45 2.88 -0.46 -4.85 113.62 115.39 3ixv n SER 504 Ca 0.01 1.01 0.10 0.00 -1.33 0.00 0.00 58.87 58.67 3ixv n SER 504 Cb 0.23 -0.80 0.44 0.00 -0.75 0.00 0.00 64.21 63.32 3ixv n SER 504 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3ixv h SER 505 N 2.60 0.00 1.02 -3.46 0.02 -1.77 -3.07 113.55 108.89 3ixv h SER 505 Ca -0.44 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.39 3ixv h SER 505 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3ixv h SER 505 CO 0.57 0.21 -0.54 -0.37 -1.14 0.00 0.00 176.83 175.56 3ixv h VAL 506 N 0.00 1.09 -2.44 2.27 -1.51 -1.76 -2.83 116.25 111.07 3ixv h VAL 506 Ca -0.00 -2.10 -0.56 0.00 -1.23 0.00 0.00 66.70 62.81 3ixv h VAL 506 Cb 0.78 2.24 -0.08 0.00 -2.13 0.00 0.00 31.29 32.10 3ixv h VAL 506 CO 0.03 0.53 -0.60 0.42 -1.23 0.00 0.00 177.57 176.72 3ixv s THR 507 N -3.28 3.95 -0.13 7.19 -4.23 -1.16 -0.30 115.64 117.68 3ixv s THR 507 Ca 0.01 -1.53 -0.25 0.00 -1.18 0.00 0.00 61.69 58.74 3ixv s THR 507 Cb 0.10 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 3ixv s THR 507 CO 0.73 -0.27 0.80 -0.51 -0.54 0.00 0.00 174.62 174.84 3ixv s ILE 508 N -2.04 4.93 0.17 2.99 1.10 -0.08 -4.28 121.20 123.99 3ixv s ILE 508 Ca 0.31 1.60 -0.09 0.00 -0.51 0.00 0.00 60.65 61.96 3ixv s ILE 508 Cb -0.08 -4.12 0.02 0.00 0.15 0.00 0.00 42.46 38.43 3ixv s ILE 508 CO 0.21 0.11 1.58 0.77 -2.11 0.00 0.00 174.94 175.50 3ixv h SER 509 N 7.13 1.02 -3.87 4.50 4.64 -1.90 -3.38 113.55 121.70 3ixv h SER 509 Ca -0.34 -0.36 0.03 0.00 -0.47 0.00 0.00 61.79 60.65 3ixv h SER 509 Cb 1.16 -0.28 -0.23 0.00 -0.31 0.00 0.00 62.40 62.74 3ixv h SER 509 CO 0.80 1.16 0.40 -0.75 -0.87 0.00 0.00 176.83 177.57 3ixv s LYS 510 N -4.75 0.66 -0.16 4.77 2.47 -1.26 -5.01 119.74 116.46 3ixv s LYS 510 Ca -0.11 0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 54.75 3ixv s LYS 510 Cb 0.13 0.32 -0.01 0.00 -1.46 0.00 0.00 37.83 36.80 3ixv s LYS 510 CO 0.87 -0.14 -0.10 0.54 0.16 0.00 0.00 175.35 176.67 3ixv s VAL 511 N -0.37 3.15 0.12 4.02 0.11 -1.22 -4.38 120.40 121.84 3ixv s VAL 511 Ca -0.01 -0.61 -0.28 0.00 -2.93 0.00 0.00 61.98 58.15 3ixv s VAL 511 Cb -0.03 -2.36 -0.06 0.00 -1.53 0.00 0.00 36.38 32.40 3ixv s VAL 511 CO -0.00 0.50 0.90 -0.13 -3.33 0.00 0.00 175.10 173.03 3ixv s ARG 512 N 0.69 4.66 0.54 1.54 1.81 -1.26 -5.02 118.95 121.91 3ixv s ARG 512 Ca -0.05 1.34 -0.16 0.00 -1.72 0.00 0.00 55.73 55.14 3ixv s ARG 512 Cb -0.15 -3.35 -0.07 0.00 -0.45 0.00 0.00 34.95 30.93 3ixv s ARG 512 CO 0.02 0.30 1.01 -0.08 -0.68 0.00 0.00 175.30 175.87 3ixv s THR 513 N -0.27 4.39 0.43 0.02 -1.32 -1.26 -4.79 115.64 112.84 3ixv s THR 513 Ca 0.43 1.11 0.16 0.00 -1.21 0.00 0.00 61.69 62.18 3ixv s THR 513 Cb -0.23 -3.66 0.36 0.00 -1.51 0.00 0.00 72.50 67.47 3ixv s THR 513 CO 0.28 -0.69 1.91 0.15 -2.21 0.00 0.00 174.62 174.06 3ixv h PHE 514 N 0.69 0.48 0.08 9.09 3.04 -1.96 0.16 116.94 128.52 3ixv h PHE 514 Ca -0.47 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.50 3ixv h PHE 514 Cb 1.19 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 3ixv h PHE 514 CO 0.63 0.17 -0.09 -0.44 -2.02 0.00 0.00 178.31 176.56 3ixv h ASP 515 N 0.40 -0.24 0.11 0.41 5.19 -1.98 0.22 116.42 120.53 3ixv h ASP 515 Ca 0.38 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 3ixv h ASP 515 Cb 0.91 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 3ixv h ASP 515 CO -0.12 -0.14 -0.10 1.56 -3.12 0.00 0.00 179.24 177.32 3ixv h GLN 516 N -0.19 -0.22 -0.69 3.56 4.20 -1.14 -1.15 115.11 119.47 3ixv h GLN 516 Ca 0.01 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.91 3ixv h GLN 516 Cb 0.20 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3ixv h GLN 516 CO -0.04 -0.15 0.48 -0.07 -0.67 0.00 0.00 178.83 178.39 3ixv h LEU 517 N -0.23 0.12 -1.94 1.46 3.38 -1.05 0.17 115.31 117.22 3ixv h LEU 517 Ca 0.00 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3ixv h LEU 517 Cb 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ixv h LEU 517 CO -0.02 0.06 0.32 1.23 0.09 0.00 0.00 178.44 180.12 3ixv h GLY 518 N 0.13 0.10 0.00 0.83 0.00 0.76 -3.35 103.07 101.53 3ixv h GLY 518 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3ixv h GLY 518 CO -0.04 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.51 3ixv n ALA 519 N -2.61 0.00 0.00 3.60 0.00 0.59 -5.05 120.51 117.04 3ixv n ALA 519 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ixv n ALA 519 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3ixv n ALA 519 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixv n GLY 520 N 2.88 0.63 2.39 0.00 0.00 -1.19 -5.00 105.19 104.90 3ixv n GLY 520 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 3ixv n GLY 520 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ixv n GLU 521 N 0.00 0.92 -3.08 1.61 1.02 -1.26 -5.09 120.64 114.75 3ixv n GLU 521 Ca 0.00 -2.09 -0.18 0.00 -0.02 0.00 0.00 57.16 54.87 3ixv n GLU 521 Cb 0.00 0.12 -0.02 0.00 -0.02 0.00 0.00 31.44 31.52 3ixv n GLU 521 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ixv n GLY 522 N 0.78 2.56 0.10 0.62 0.00 -1.26 -4.77 105.19 103.22 3ixv n GLY 522 Ca 0.02 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 3ixv n GLY 522 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ixv h VAL 523 N 1.84 0.88 0.00 1.61 2.07 -2.02 -3.50 116.25 117.13 3ixv h VAL 523 Ca 0.04 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.49 3ixv h VAL 523 Cb 0.96 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3ixv h VAL 523 CO 0.42 0.30 0.00 -1.54 0.02 0.00 0.00 177.57 176.77 3ixv n SER 524 N -4.46 0.00 -3.21 0.57 3.41 -1.26 -5.02 113.62 103.65 3ixv n SER 524 Ca -0.28 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.34 3ixv n SER 524 Cb 0.62 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 3ixv n SER 524 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ixv s GLU 525 N 3.02 0.79 0.00 4.33 8.01 -1.26 -4.89 118.70 128.70 3ixv s GLU 525 Ca 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 54.97 54.79 3ixv s GLU 525 Cb 0.00 0.10 0.00 0.00 -4.31 0.00 0.00 34.13 29.92 3ixv s GLU 525 CO 0.00 -1.18 0.00 -0.25 0.01 0.00 0.00 175.26 173.84 3ixv n ASP 526 N 4.52 0.00 0.00 -0.19 8.00 -1.26 -3.64 116.55 123.98 3ixv n ASP 526 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3ixv n ASP 526 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3ixv n ASP 526 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ixv n SER 527 N 0.00 0.00 0.17 -2.24 7.64 -1.25 -2.32 113.62 115.63 3ixv n SER 527 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 3ixv n SER 527 Cb 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.49 3ixv n SER 527 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3ixv h THR 528 N 0.00 1.16 0.00 0.44 2.02 -1.83 -1.48 112.91 113.22 3ixv h THR 528 Ca 0.00 -1.67 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 3ixv h THR 528 Cb 0.00 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3ixv h THR 528 CO 0.00 0.45 -0.24 1.05 0.37 0.00 0.00 175.52 177.15 3ixv h GLU 529 N 0.00 0.00 -0.92 6.66 4.11 -1.94 -3.37 114.58 119.12 3ixv h GLU 529 Ca -0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.54 3ixv h GLU 529 Cb 0.91 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.02 3ixv h GLU 529 CO 0.06 0.24 -0.43 0.98 0.07 0.00 0.00 179.01 179.93 3ixv n TYR 530 N -3.28 -0.14 0.00 2.06 9.36 -0.56 -0.51 117.16 124.09 3ixv n TYR 530 Ca 0.01 1.14 0.00 0.00 3.32 0.00 0.00 57.90 62.37 3ixv n TYR 530 Cb 0.51 -0.74 0.00 0.00 -0.63 0.00 0.00 39.34 38.48 3ixv n TYR 530 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ixv n SER 532 N -0.73 0.00 -3.03 0.00 7.64 -0.99 -3.43 113.62 113.08 3ixv n SER 532 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3ixv n SER 532 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3ixv n SER 532 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ixv n GLY 534 N 1.94 -2.83 3.77 0.00 0.00 -1.26 -4.43 105.19 102.38 3ixv n GLY 534 Ca 0.00 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3ixv n GLY 534 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ixv s TRP 535 N -3.52 3.19 0.34 1.61 -0.11 0.59 -4.39 118.94 116.65 3ixv s TRP 535 Ca 0.00 1.58 -0.28 0.00 1.22 0.00 0.00 56.10 58.62 3ixv s TRP 535 Cb 0.00 -3.38 -0.12 0.00 -1.50 0.00 0.00 33.47 28.47 3ixv s TRP 535 CO 0.00 -1.15 1.34 -0.35 -4.62 0.00 0.00 176.95 172.17 3ixv n PRO 536 N 0.38 2.25 -0.26 5.86 -0.04 -1.26 -0.90 135.00 141.02 3ixv n PRO 536 Ca 0.03 0.79 -0.07 0.00 -0.04 0.00 0.00 63.50 64.21 3ixv n PRO 536 Cb 0.46 -2.41 0.05 0.00 -0.04 0.00 0.00 33.50 31.56 3ixv n PRO 536 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3ixv h GLU 537 N 2.75 1.13 -0.14 0.54 4.81 -1.95 -2.83 114.58 118.89 3ixv h GLU 537 Ca -0.47 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.48 3ixv h GLU 537 Cb 1.27 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3ixv h GLU 537 CO 0.64 0.96 -0.09 1.12 -0.73 0.00 0.00 179.01 180.91 3ixv h HIS 538 N 1.08 0.21 0.00 0.92 2.07 -1.92 -1.92 115.15 115.59 3ixv h HIS 538 Ca 0.24 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 3ixv h HIS 538 Cb 0.30 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.21 3ixv h HIS 538 CO 0.02 0.30 0.00 -1.33 -3.07 0.00 0.00 177.93 173.85 3ixv n MET 539 N -4.33 0.10 -0.32 5.12 2.81 -1.07 -4.18 117.12 115.25 3ixv n MET 539 Ca -0.01 0.13 0.10 0.00 -1.81 0.00 0.00 57.70 56.11 3ixv n MET 539 Cb 0.23 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.50 3ixv n MET 539 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3ixv h LEU 540 N 0.00 0.63 -9.19 4.03 5.85 -1.38 -3.41 115.31 111.83 3ixv h LEU 540 Ca 0.00 0.10 -0.62 0.00 0.84 0.00 0.00 57.88 58.20 3ixv h LEU 540 Cb 0.29 -0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.17 3ixv h LEU 540 CO 0.00 0.24 -0.77 -0.63 -0.34 0.00 0.00 178.44 176.94 3ixv s ILE 541 N -5.92 2.55 0.91 4.05 1.09 -1.26 -4.96 121.20 117.65 3ixv s ILE 541 Ca -0.12 -2.24 -0.11 0.00 -1.10 0.00 0.00 60.65 57.08 3ixv s ILE 541 Cb 0.23 -2.31 0.13 0.00 -1.06 0.00 0.00 42.46 39.46 3ixv s ILE 541 CO 0.79 -0.31 1.09 -2.84 -0.10 0.00 0.00 174.94 173.57 3ixv s PRO 542 N -3.27 1.17 0.14 2.79 0.02 -1.26 -4.95 135.00 129.63 3ixv s PRO 542 Ca 0.27 1.01 -0.15 0.00 0.02 0.00 0.00 61.00 62.15 3ixv s PRO 542 Cb -0.06 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3ixv s PRO 542 CO 0.14 -2.36 1.65 -0.09 -0.33 0.00 0.00 177.00 176.02 3ixv h ARG 543 N -1.64 0.68 0.00 5.54 2.43 -1.92 -3.49 114.38 115.97 3ixv h ARG 543 Ca -0.49 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3ixv h ARG 543 Cb 1.28 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3ixv h ARG 543 CO 0.51 0.66 0.00 0.41 -1.51 0.00 0.00 179.97 180.05 3ixv n GLY 544 N -0.65 -1.12 3.31 2.80 0.00 -1.26 -4.10 105.19 104.16 3ixv n GLY 544 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3ixv n GLY 544 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixv s SER 545 N -4.00 0.38 0.33 1.61 0.01 -1.20 -4.62 113.70 106.21 3ixv s SER 545 Ca 0.00 -1.36 0.05 0.00 1.31 0.00 0.00 55.95 55.94 3ixv s SER 545 Cb 0.00 0.46 0.59 0.00 0.21 0.00 0.00 66.02 67.28 3ixv s SER 545 CO 0.00 -0.96 1.85 -0.74 0.41 0.00 0.00 173.24 173.79 3ixv h HIS 546 N 2.45 0.50 0.00 2.43 2.76 -1.88 0.45 115.15 121.86 3ixv h HIS 546 Ca -0.32 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 57.74 3ixv h HIS 546 Cb 1.25 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 3ixv h HIS 546 CO 0.64 0.55 -0.20 1.57 -1.30 0.00 0.00 177.93 179.18 3ixv h LYS 547 N 0.45 0.00 -1.42 5.26 2.10 -1.89 -3.41 116.57 117.65 3ixv h LYS 547 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 3ixv h LYS 547 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3ixv h LYS 547 CO 0.02 0.20 0.00 0.41 -2.00 0.00 0.00 179.45 178.08 3ixv n GLY 548 N -0.61 -0.65 3.78 0.07 0.00 -0.26 -4.96 105.19 102.55 3ixv n GLY 548 Ca -0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3ixv n GLY 548 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ixv s MET 549 N -0.54 3.95 -0.10 1.61 1.75 0.17 -4.65 119.30 121.49 3ixv s MET 549 Ca 0.00 1.64 -0.15 0.00 -1.25 0.00 0.00 55.69 55.93 3ixv s MET 549 Cb 0.00 -2.47 -0.05 0.00 2.84 0.00 0.00 34.83 35.16 3ixv s MET 549 CO 0.00 -0.35 0.37 -1.21 -0.65 0.00 0.00 175.02 173.17 3ixv s GLU 550 N -2.61 4.15 0.05 4.11 2.02 -1.26 -0.93 118.70 124.22 3ixv s GLU 550 Ca 0.61 0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.91 3ixv s GLU 550 Cb -0.25 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 3ixv s GLU 550 CO 0.31 0.36 -0.14 -0.06 0.02 0.00 0.00 175.26 175.76 3ixv s PHE 551 N 0.02 1.19 0.08 1.61 0.40 -0.65 -2.26 117.98 118.38 3ixv s PHE 551 Ca 0.21 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 55.90 3ixv s PHE 551 Cb -0.14 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.63 3ixv s PHE 551 CO 0.08 0.04 0.81 -2.00 0.70 0.00 0.00 175.22 174.85 3ixv s GLU 552 N -1.30 4.56 -0.22 0.44 2.12 0.25 -1.93 118.70 122.62 3ixv s GLU 552 Ca 0.00 1.17 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 3ixv s GLU 552 Cb -0.08 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 3ixv s GLU 552 CO 0.01 0.33 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.87 3ixv s LEU 553 N -0.26 3.01 -0.12 2.70 2.96 0.62 -1.34 118.68 126.26 3ixv s LEU 553 Ca 0.40 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3ixv s LEU 553 Cb -0.22 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3ixv s LEU 553 CO 0.25 -0.01 -0.18 0.12 -1.32 0.00 0.00 176.35 175.20 3ixv s PHE 554 N 1.45 2.69 -0.05 5.38 5.36 -0.11 -0.10 117.98 132.60 3ixv s PHE 554 Ca 0.05 -0.84 0.04 0.00 -0.96 0.00 0.00 56.93 55.23 3ixv s PHE 554 Cb -0.14 -1.78 -0.00 0.00 -0.34 0.00 0.00 43.02 40.76 3ixv s PHE 554 CO -0.02 -0.31 -0.16 0.08 -1.46 0.00 0.00 175.22 173.35 3ixv s VAL 555 N 0.34 1.39 0.01 3.12 1.01 0.03 -1.00 120.40 125.30 3ixv s VAL 555 Ca -0.15 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3ixv s VAL 555 Cb -0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3ixv s VAL 555 CO 0.07 0.40 -0.07 -0.32 0.00 0.00 0.00 175.10 175.18 3ixv s MET 556 N 0.14 0.55 -0.05 2.72 1.75 0.02 -0.59 119.30 123.84 3ixv s MET 556 Ca -0.06 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.01 3ixv s MET 556 Cb -0.12 -0.47 -0.02 0.00 2.84 0.00 0.00 34.83 37.06 3ixv s MET 556 CO 0.03 0.12 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.79 3ixv s LEU 557 N -0.66 2.29 0.20 4.11 1.02 -0.35 -0.33 118.68 124.96 3ixv s LEU 557 Ca -0.01 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 53.79 3ixv s LEU 557 Cb -0.05 -1.43 -0.05 0.00 0.02 0.00 0.00 46.19 44.68 3ixv s LEU 557 CO 0.00 0.29 -0.07 -0.89 0.02 0.00 0.00 176.35 175.70 3ixv s THR 558 N -0.40 1.28 -0.22 5.49 2.01 -0.62 -4.65 115.64 118.52 3ixv s THR 558 Ca 0.04 -2.09 -0.29 0.00 0.31 0.00 0.00 61.69 59.66 3ixv s THR 558 Cb -0.12 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3ixv s THR 558 CO 0.02 -0.52 1.34 -0.62 -0.69 0.00 0.00 174.62 174.15 3ixv s ASP 559 N -3.28 6.76 0.28 3.53 -1.08 -1.26 -1.14 116.67 120.47 3ixv s ASP 559 Ca 0.23 1.52 0.01 0.00 -0.52 0.00 0.00 52.55 53.79 3ixv s ASP 559 Cb 0.03 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.36 3ixv s ASP 559 CO 0.06 -0.95 1.76 -0.74 0.52 0.00 0.00 175.17 175.81 3ixv h HIS 560 N 9.00 0.68 -0.92 -5.34 -0.00 -1.63 -2.09 115.15 114.85 3ixv h HIS 560 Ca -0.28 -0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.02 3ixv h HIS 560 Cb 1.11 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 28.29 3ixv h HIS 560 CO 0.85 0.71 0.60 -0.44 -0.00 0.00 0.00 177.93 179.65 3ixv h ASP 561 N 0.57 0.99 -0.08 3.26 3.32 -1.90 0.84 116.42 123.41 3ixv h ASP 561 Ca 0.10 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3ixv h ASP 561 Cb 0.52 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ixv h ASP 561 CO 0.03 0.68 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.14 3ixv h GLU 562 N 1.15 0.16 -0.92 3.56 4.81 -1.86 -3.31 114.58 118.17 3ixv h GLU 562 Ca 0.37 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3ixv h GLU 562 Cb 0.01 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3ixv h GLU 562 CO -0.12 0.45 0.53 -0.44 -0.73 0.00 0.00 179.01 178.70 3ixv h ASP 563 N -0.15 1.13 -3.81 1.04 3.32 -0.49 -3.45 116.42 114.01 3ixv h ASP 563 Ca 0.02 -0.09 -0.49 0.00 0.02 0.00 0.00 57.03 56.50 3ixv h ASP 563 Cb 0.39 -0.29 0.02 0.00 0.22 0.00 0.00 39.33 39.67 3ixv h ASP 563 CO 0.01 0.88 0.18 0.28 -1.72 0.00 0.00 179.24 178.87 3ixv s THR 564 N -5.89 4.76 0.17 0.35 -1.32 0.15 -0.25 115.64 113.62 3ixv s THR 564 Ca -0.13 0.66 0.05 0.00 -1.21 0.00 0.00 61.69 61.06 3ixv s THR 564 Cb 0.17 -3.76 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 3ixv s THR 564 CO 0.83 -0.65 0.16 0.68 -2.21 0.00 0.00 174.62 173.42 3ixv s VAL 565 N -2.54 4.61 0.07 5.08 -7.23 -1.26 -4.89 120.40 114.24 3ixv s VAL 565 Ca 0.52 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.69 3ixv s VAL 565 Cb -0.10 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 3ixv s VAL 565 CO 0.35 -0.12 0.02 0.00 -0.31 0.00 0.00 175.10 175.05 3ixv s ALA 566 N -1.77 3.35 0.00 1.32 0.00 -1.26 -5.07 121.76 118.33 3ixv s ALA 566 Ca 0.32 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3ixv s ALA 566 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3ixv s ALA 566 CO 0.24 0.70 0.00 0.41 0.00 0.00 0.00 175.76 177.11 3ixv n GLY 567 N 0.71 -0.89 2.81 0.00 0.00 -1.26 -5.13 105.19 101.43 3ixv n GLY 567 Ca -0.11 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 3ixv n GLY 567 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixv s LEU 568 N 0.00 2.26 0.00 0.99 1.43 -1.26 -5.08 118.68 117.02 3ixv s LEU 568 Ca 0.00 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 3ixv s LEU 568 Cb 0.00 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3ixv s LEU 568 CO 0.00 -0.34 0.00 -1.20 0.23 0.00 0.00 176.35 175.04 3ixv n SER 569 N 4.80 0.00 -3.52 2.29 7.64 -1.26 -5.17 113.62 118.41 3ixv n SER 569 Ca -0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 3ixv n SER 569 Cb 0.44 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 3ixv n SER 569 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3ixv n GLU 570 N 0.00 0.96 -0.50 1.43 2.13 -1.26 -5.13 120.64 118.27 3ixv n GLU 570 Ca 0.00 -1.75 -0.30 0.00 0.66 0.00 0.00 57.16 55.77 3ixv n GLU 570 Cb 0.00 0.07 0.27 0.00 0.27 0.00 0.00 31.44 32.05 3ixv n GLU 570 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3ixv s ASN 571 N -2.78 -0.19 -0.23 4.31 4.22 -1.26 -4.92 114.94 114.10 3ixv s ASN 571 Ca 0.22 1.07 -0.29 0.00 -2.14 0.00 0.00 52.86 51.73 3ixv s ASN 571 Cb -0.02 -1.59 -0.04 0.00 1.28 0.00 0.00 41.25 40.88 3ixv s ASN 571 CO 0.14 -4.86 1.90 0.00 -2.04 0.00 0.00 177.10 172.25 3ixv s ALA 572 N -2.40 3.01 0.00 3.54 0.00 -1.26 -4.91 121.76 119.73 3ixv s ALA 572 Ca 0.69 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3ixv s ALA 572 Cb -0.17 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 18.97 3ixv s ALA 572 CO 0.60 -2.39 0.00 1.55 0.00 0.00 0.00 175.76 175.52 3ixv n VAL 573 N 7.06 0.00 -2.25 0.00 3.14 -1.26 -4.98 118.33 120.05 3ixv n VAL 573 Ca 0.24 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.29 3ixv n VAL 573 Cb 0.45 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.19 3ixv n VAL 573 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ixv n SER 575 N 12.01 0.49 -0.17 0.00 7.64 -1.26 -3.85 113.62 128.48 3ixv n SER 575 Ca 0.39 -0.20 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 3ixv n SER 575 Cb 0.48 0.49 -0.00 0.00 -1.01 0.00 0.00 64.21 64.17 3ixv n SER 575 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ixv n ASP 576 N -0.54 -0.33 -1.96 6.43 2.03 -1.26 -1.82 116.55 119.10 3ixv n ASP 576 Ca 0.00 0.73 -0.06 0.00 0.52 0.00 0.00 54.79 55.98 3ixv n ASP 576 Cb 0.00 -0.14 0.29 0.00 -0.72 0.00 0.00 41.12 40.55 3ixv n ASP 576 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ixv n ALA 577 N -3.75 4.51 -0.34 -1.67 0.00 -1.21 -3.87 120.51 114.17 3ixv n ALA 577 Ca 0.03 -2.20 0.22 0.00 0.00 0.00 0.00 53.44 51.49 3ixv n ALA 577 Cb 0.15 -1.25 0.46 0.00 0.00 0.00 0.00 19.45 18.81 3ixv n ALA 577 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3ixv h VAL 578 N 2.54 0.47 -0.90 0.00 -1.51 -1.11 -2.25 116.25 113.48 3ixv h VAL 578 Ca 0.26 -0.15 0.14 0.00 -1.23 0.00 0.00 66.70 65.72 3ixv h VAL 578 Cb 2.27 -0.01 -0.09 0.00 -2.13 0.00 0.00 31.29 31.33 3ixv h VAL 578 CO 0.71 0.08 0.51 0.28 -1.23 0.00 0.00 177.57 177.92 3ixv h SER 579 N 0.44 0.67 0.00 4.19 0.02 -1.82 0.98 113.55 118.03 3ixv h SER 579 Ca 0.65 0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 61.49 3ixv h SER 579 Cb 1.50 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 3ixv h SER 579 CO -0.42 0.31 -1.72 -1.22 -1.14 0.00 0.00 176.83 172.64 3ixv n TYR 580 N -4.78 0.00 0.01 3.45 4.01 -1.16 -4.71 117.16 113.98 3ixv n TYR 580 Ca 0.18 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.83 3ixv n TYR 580 Cb 0.42 -0.51 -0.13 0.00 -0.31 0.00 0.00 39.34 38.81 3ixv n TYR 580 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ixv n GLY 582 N 1.50 -1.92 3.40 0.00 0.00 0.33 -4.93 105.19 103.56 3ixv n GLY 582 Ca -0.11 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 3ixv n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixv s ALA 583 N -1.34 2.40 0.11 4.61 0.00 -1.26 -4.02 121.76 122.27 3ixv s ALA 583 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.15 3ixv s ALA 583 Cb 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 3ixv s ALA 583 CO 0.00 0.51 1.67 0.50 0.00 0.00 0.00 175.76 178.44 3ixv s ARG 584 N -2.19 4.19 -1.63 0.00 3.00 -1.25 -2.79 118.95 118.28 3ixv s ARG 584 Ca 0.15 2.41 -0.14 0.00 -1.00 0.00 0.00 55.73 57.15 3ixv s ARG 584 Cb -0.10 -3.44 0.12 0.00 0.00 0.00 0.00 34.95 31.53 3ixv s ARG 584 CO 0.07 -0.72 0.72 -3.47 0.00 0.00 0.00 175.30 171.89 3ixv n ASP 585 N 5.07 -2.75 -4.02 -2.12 -0.08 -1.26 -4.91 116.55 106.48 3ixv n ASP 585 Ca 0.16 -1.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.35 3ixv n ASP 585 Cb 0.39 -2.88 -0.09 0.00 2.34 0.00 0.00 41.12 40.89 3ixv n ASP 585 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3ixv s ASP 586 N -3.53 0.27 0.53 1.67 2.15 -1.12 -4.90 116.67 111.74 3ixv s ASP 586 Ca 0.58 -0.93 -0.17 0.00 0.43 0.00 0.00 52.55 52.45 3ixv s ASP 586 Cb -0.31 0.30 -0.07 0.00 -0.30 0.00 0.00 42.92 42.54 3ixv s ASP 586 CO 0.91 -0.71 1.01 -0.60 -0.17 0.00 0.00 175.17 175.61 3ixv s ARG 587 N -3.94 3.78 0.14 4.34 3.52 -1.26 -4.56 118.95 120.97 3ixv s ARG 587 Ca 0.12 1.06 -0.31 0.00 -0.13 0.00 0.00 55.73 56.47 3ixv s ARG 587 Cb 0.06 -2.11 -0.10 0.00 -1.56 0.00 0.00 34.95 31.24 3ixv s ARG 587 CO -0.06 -0.42 1.72 -0.47 -0.81 0.00 0.00 175.30 175.26 3ixv s TYR 588 N -2.50 2.57 -1.65 5.12 5.04 -1.26 -4.71 117.35 119.96 3ixv s TYR 588 Ca 0.61 0.26 0.13 0.00 -2.44 0.00 0.00 57.07 55.64 3ixv s TYR 588 Cb -0.12 -4.08 0.73 0.00 0.35 0.00 0.00 41.96 38.84 3ixv s TYR 588 CO 0.31 -4.25 1.31 -2.30 -1.34 0.00 0.00 175.55 169.27 3ixv n PRO 589 N 4.91 0.28 -4.96 4.97 -0.02 -1.26 -4.66 135.00 134.26 3ixv n PRO 589 Ca 0.16 0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 3ixv n PRO 589 Cb 0.38 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.19 3ixv n PRO 589 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ixv s ASP 590 N -2.35 2.51 0.18 2.55 -1.08 -1.26 -4.47 116.67 112.75 3ixv s ASP 590 Ca 0.16 -0.44 -0.07 0.00 -0.52 0.00 0.00 52.55 51.68 3ixv s ASP 590 Cb 0.09 -1.03 0.09 0.00 -1.46 0.00 0.00 42.92 40.61 3ixv s ASP 590 CO 0.19 0.13 1.55 0.50 0.52 0.00 0.00 175.17 178.06 3ixv h LYS 591 N 6.65 0.81 -7.15 4.34 1.63 -0.89 -3.46 116.57 118.51 3ixv h LYS 591 Ca -0.26 -0.39 -0.55 0.00 -0.85 0.00 0.00 60.65 58.60 3ixv h LYS 591 Cb 1.21 -0.01 0.16 0.00 -0.60 0.00 0.00 32.23 32.99 3ixv h LYS 591 CO 0.47 1.02 0.45 0.15 -3.45 0.00 0.00 179.45 178.09 3ixv s LYS 592 N -4.44 2.24 0.53 1.90 3.01 -1.26 -4.91 119.74 116.81 3ixv s LYS 592 Ca -0.10 1.94 -0.22 0.00 -1.01 0.00 0.00 55.97 56.58 3ixv s LYS 592 Cb 0.12 -1.82 -0.05 0.00 -1.01 0.00 0.00 37.83 35.07 3ixv s LYS 592 CO 0.85 -1.80 1.33 0.00 0.51 0.00 0.00 175.35 176.24 3ixv s ALA 593 N -1.68 2.84 0.11 5.17 0.00 -1.26 -4.87 121.76 122.07 3ixv s ALA 593 Ca 0.79 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 53.71 3ixv s ALA 593 Cb -0.34 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 3ixv s ALA 593 CO 0.43 -1.27 1.45 -1.64 0.00 0.00 0.00 175.76 174.73 3ixv s MET 594 N -2.88 4.28 0.00 0.00 1.00 -1.26 -1.50 119.30 118.93 3ixv s MET 594 Ca 0.71 2.15 0.00 0.00 0.00 0.00 0.00 55.69 58.54 3ixv s MET 594 Cb -0.38 -3.28 0.00 0.00 0.00 0.00 0.00 34.83 31.16 3ixv s MET 594 CO 0.46 -0.51 0.00 0.41 0.00 0.00 0.00 175.02 175.38 3ixv n GLY 595 N 3.60 0.31 3.73 -0.03 0.00 -1.26 -4.77 105.19 106.77 3ixv n GLY 595 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3ixv n GLY 595 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ixv n PHE 596 N -2.00 2.30 1.63 1.61 7.35 -0.57 -0.14 117.46 127.65 3ixv n PHE 596 Ca 0.00 0.45 0.15 0.00 -0.76 0.00 0.00 57.45 57.29 3ixv n PHE 596 Cb 0.00 -2.39 0.82 0.00 0.35 0.00 0.00 39.48 38.26 3ixv n PHE 596 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3ixv n PRO 597 N -0.47 0.68 0.26 -7.13 -0.02 -1.26 -4.88 135.00 122.18 3ixv n PRO 597 Ca 0.08 0.01 0.15 0.00 -2.02 0.00 0.00 63.50 61.72 3ixv n PRO 597 Cb 0.42 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.03 3ixv n PRO 597 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3ixv h PHE 598 N 0.00 0.00 -0.27 6.00 0.04 -0.93 -3.35 116.94 118.43 3ixv h PHE 598 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3ixv h PHE 598 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3ixv h PHE 598 CO 0.00 0.06 0.10 0.38 -0.60 0.00 0.00 178.31 178.25 3ixv h ASP 599 N 0.00 0.34 -1.75 2.17 2.03 -1.83 -3.45 116.42 113.93 3ixv h ASP 599 Ca -0.00 -0.03 -0.46 0.00 -0.73 0.00 0.00 57.03 55.81 3ixv h ASP 599 Cb 0.57 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 3ixv h ASP 599 CO 0.01 0.33 -0.36 -0.13 -1.03 0.00 0.00 179.24 178.06 3ixv s ARG 600 N -5.17 2.94 0.42 4.15 0.52 -1.26 -4.90 118.95 115.65 3ixv s ARG 600 Ca -0.07 -1.15 -0.26 0.00 -0.52 0.00 0.00 55.73 53.73 3ixv s ARG 600 Cb 0.17 -2.69 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 3ixv s ARG 600 CO 0.73 0.01 1.34 0.21 0.02 0.00 0.00 175.30 177.61 3ixv s LYS 601 N -4.15 3.86 -0.19 3.54 2.20 -1.26 -5.00 119.74 118.75 3ixv s LYS 601 Ca 0.45 2.23 -0.02 0.00 -0.36 0.00 0.00 55.97 58.27 3ixv s LYS 601 Cb -0.08 -2.71 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 3ixv s LYS 601 CO 0.30 -0.61 -0.08 0.42 -0.36 0.00 0.00 175.35 175.02 3ixv s ILE 602 N -1.25 3.19 0.20 5.43 1.01 -1.26 -4.66 121.20 123.86 3ixv s ILE 602 Ca 0.59 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 3ixv s ILE 602 Cb -0.40 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3ixv s ILE 602 CO 0.51 0.47 1.59 -0.08 0.00 0.00 0.00 174.94 177.43 3ixv h GLU 603 N 7.61 0.80 -7.07 2.79 4.57 -1.98 -3.40 114.58 117.91 3ixv h GLU 603 Ca -0.37 -0.35 -0.49 0.00 -1.18 0.00 0.00 59.36 56.97 3ixv h GLU 603 Cb 1.18 -0.02 0.05 0.00 -0.16 0.00 0.00 28.75 29.79 3ixv h GLU 603 CO 0.60 0.98 0.42 0.00 -1.18 0.00 0.00 179.01 179.82 3ixv s ALA 604 N -4.55 2.81 0.15 2.92 0.00 -1.26 -4.96 121.76 116.87 3ixv s ALA 604 Ca -0.10 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 3ixv s ALA 604 Cb 0.13 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 3ixv s ALA 604 CO 0.85 -0.56 1.44 0.00 0.00 0.00 0.00 175.76 177.49 3ixv h ARG 605 N 1.49 0.73 -6.60 0.00 2.47 -1.94 -3.40 114.38 107.13 3ixv h ARG 605 Ca -0.50 -0.47 -0.64 0.00 -1.26 0.00 0.00 59.98 57.11 3ixv h ARG 605 Cb 1.24 0.06 -0.22 0.00 -1.65 0.00 0.00 29.97 29.41 3ixv h ARG 605 CO 0.58 1.10 -0.85 -0.08 0.56 0.00 0.00 179.97 181.28 3ixv s THR 606 N -4.04 2.07 0.26 2.04 -1.32 -1.26 -3.94 115.64 109.44 3ixv s THR 606 Ca -0.09 -1.71 -0.03 0.00 -1.21 0.00 0.00 61.69 58.64 3ixv s THR 606 Cb 0.11 -1.85 0.16 0.00 -1.51 0.00 0.00 72.50 69.40 3ixv s THR 606 CO 0.87 0.01 1.82 0.00 -2.21 0.00 0.00 174.62 175.10 3ixv h ALA 607 N 3.87 1.17 -0.87 11.08 0.00 -1.53 -2.70 119.26 130.27 3ixv h ALA 607 Ca -0.49 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.25 3ixv h ALA 607 Cb 1.18 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3ixv h ALA 607 CO 0.40 0.58 0.57 0.00 0.00 0.00 0.00 179.25 180.81 3ixv h ALA 608 N 1.30 1.42 -0.11 0.00 0.00 -1.96 -0.08 119.26 119.84 3ixv h ALA 608 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ixv h ALA 608 Cb 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ixv h ALA 608 CO -0.01 0.51 -0.06 0.93 0.00 0.00 0.00 179.25 180.62 3ixv h GLU 609 N 1.13 0.16 -0.39 0.00 5.08 -1.89 -2.21 114.58 116.44 3ixv h GLU 609 Ca 0.33 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3ixv h GLU 609 Cb -0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3ixv h GLU 609 CO -0.09 0.23 -0.05 0.35 -1.00 0.00 0.00 179.01 178.45 3ixv h PHE 610 N 0.15 0.69 -3.19 4.33 3.57 -1.04 -3.46 116.94 118.00 3ixv h PHE 610 Ca 0.04 -0.10 -0.57 0.00 3.53 0.00 0.00 57.97 60.87 3ixv h PHE 610 Cb 0.21 -0.19 0.10 0.00 2.79 0.00 0.00 35.95 38.86 3ixv h PHE 610 CO 0.00 0.69 0.59 1.28 -2.23 0.00 0.00 178.31 178.64 3ixv n LEU 611 N -4.22 3.60 -4.99 0.59 4.32 -0.83 -5.02 117.00 110.45 3ixv n LEU 611 Ca 0.02 1.19 -0.22 0.00 -0.02 0.00 0.00 56.01 56.97 3ixv n LEU 611 Cb 0.30 -1.49 0.04 0.00 -1.62 0.00 0.00 43.42 40.65 3ixv n LEU 611 CO 0.41 -0.38 0.26 0.42 -1.22 0.00 0.00 177.39 176.88 3ixv s THR 612 N -0.72 1.89 0.33 -5.08 -4.23 -1.26 -5.01 115.64 101.56 3ixv s THR 612 Ca 0.59 -1.17 0.29 0.00 -1.18 0.00 0.00 61.69 60.22 3ixv s THR 612 Cb -0.58 -2.07 0.31 0.00 1.34 0.00 0.00 72.50 71.51 3ixv s THR 612 CO 0.58 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 176.04 3ixv h PRO 613 N 0.33 0.00 -0.98 3.99 0.11 -1.94 -2.56 132.00 130.95 3ixv h PRO 613 Ca -0.31 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.32 3ixv h PRO 613 Cb 1.30 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.12 3ixv h PRO 613 CO 0.46 0.12 0.60 0.27 -0.21 0.00 0.00 178.00 179.24 3ixv n ASN 614 N -3.45 3.80 -4.19 -2.05 6.94 -1.26 -1.43 115.26 113.62 3ixv n ASN 614 Ca -0.01 -3.51 -0.13 0.00 -0.02 0.00 0.00 54.58 50.91 3ixv n ASN 614 Cb 0.28 -0.82 -0.10 0.00 -2.36 0.00 0.00 39.78 36.78 3ixv n ASN 614 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3ixv s MET 615 N -3.14 0.89 -0.05 -3.83 -1.94 -0.97 -1.21 119.30 109.05 3ixv s MET 615 Ca 0.54 -1.28 -0.30 0.00 -1.71 0.00 0.00 55.69 52.94 3ixv s MET 615 Cb 0.46 -0.43 0.07 0.00 2.01 0.00 0.00 34.83 36.93 3ixv s MET 615 CO 0.11 0.04 0.65 0.20 -0.01 0.00 0.00 175.02 176.01 3ixv s GLY 616 N -2.82 -0.55 -0.07 -0.03 0.00 0.24 -4.72 107.32 99.38 3ixv s GLY 616 Ca 0.10 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.10 3ixv s GLY 616 CO -0.01 0.91 -0.14 1.08 0.00 0.00 0.00 173.10 174.94 3ixv s LEU 617 N -1.17 1.69 -0.07 0.66 1.02 -1.26 -0.79 118.68 118.76 3ixv s LEU 617 Ca -0.11 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.74 3ixv s LEU 617 Cb -0.00 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.31 3ixv s LEU 617 CO 0.09 0.05 -0.18 -0.89 0.02 0.00 0.00 176.35 175.44 3ixv s THR 618 N 0.64 1.55 -0.13 5.49 2.01 0.85 -4.92 115.64 121.13 3ixv s THR 618 Ca -0.15 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 60.93 3ixv s THR 618 Cb -0.16 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 3ixv s THR 618 CO 0.04 0.45 0.51 1.51 -0.69 0.00 0.00 174.62 176.44 3ixv s ASP 619 N 0.39 6.69 0.32 3.53 -4.77 -1.26 -0.27 116.67 121.30 3ixv s ASP 619 Ca -0.13 0.82 0.05 0.00 -3.30 0.00 0.00 52.55 49.99 3ixv s ASP 619 Cb -0.16 -2.30 -0.06 0.00 -1.09 0.00 0.00 42.92 39.31 3ixv s ASP 619 CO 0.05 -0.05 0.03 0.27 0.70 0.00 0.00 175.17 176.17 3ixv s ILE 620 N 0.85 1.39 0.07 2.11 -0.00 -0.81 -4.97 121.20 119.83 3ixv s ILE 620 Ca 0.27 -2.02 0.10 0.00 -0.00 0.00 0.00 60.65 58.99 3ixv s ILE 620 Cb -0.15 -2.74 -0.03 0.00 -0.00 0.00 0.00 42.46 39.53 3ixv s ILE 620 CO 0.11 -0.07 -0.26 -0.54 -0.00 0.00 0.00 174.94 174.18 3ixv s LYS 621 N -3.83 1.72 -0.16 0.37 -0.14 -0.41 -1.64 119.74 115.64 3ixv s LYS 621 Ca 0.35 -1.17 0.01 0.00 -1.36 0.00 0.00 55.97 53.80 3ixv s LYS 621 Cb 0.08 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 3ixv s LYS 621 CO 0.15 0.50 -0.17 0.42 -0.76 0.00 0.00 175.35 175.49 3ixv s ILE 622 N -0.89 2.47 -0.07 2.17 1.01 -0.11 -0.98 121.20 124.79 3ixv s ILE 622 Ca 0.13 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3ixv s ILE 622 Cb -0.10 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.34 3ixv s ILE 622 CO 0.04 0.52 -0.18 -1.59 0.00 0.00 0.00 174.94 173.72 3ixv s LYS 623 N 0.98 2.28 0.24 2.79 -2.85 -0.41 -0.66 119.74 122.11 3ixv s LYS 623 Ca -0.02 -0.65 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 3ixv s LYS 623 Cb -0.15 -1.82 -0.08 0.00 -2.06 0.00 0.00 37.83 33.73 3ixv s LYS 623 CO -0.04 0.14 0.60 0.12 0.10 0.00 0.00 175.35 176.28 3ixv s PHE 624 N 0.38 3.44 -0.17 1.78 5.36 0.14 -1.62 117.98 127.29 3ixv s PHE 624 Ca -0.14 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 56.80 3ixv s PHE 624 Cb -0.16 -2.35 -0.01 0.00 -0.34 0.00 0.00 43.02 40.16 3ixv s PHE 624 CO 0.05 0.25 -0.07 -1.58 -1.46 0.00 0.00 175.22 172.41 3ixv s HIS 625 N -1.80 2.92 -2.00 10.12 5.65 0.95 -4.00 115.29 127.13 3ixv s HIS 625 Ca 0.47 -0.68 0.29 0.00 0.25 0.00 0.00 55.06 55.39 3ixv s HIS 625 Cb -0.12 -1.97 1.72 0.00 -1.18 0.00 0.00 32.58 31.03 3ixv s HIS 625 CO 0.20 -0.30 2.06 0.41 -0.65 0.00 0.00 174.74 176.45