#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibb n ILE 11 N 0.00 0.00 -0.24 5.18 0.13 -1.26 -3.79 119.36 119.38 3ibb n ILE 11 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.66 3ibb n ILE 11 Cb 0.00 -1.43 0.24 0.00 -0.84 0.00 0.00 39.64 37.61 3ibb n ILE 11 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 3ibb h HIS 12 N 0.00 0.98 -4.20 9.51 3.86 -2.01 -3.36 115.15 119.92 3ibb h HIS 12 Ca 0.00 0.02 -0.48 0.00 -1.16 0.00 0.00 60.37 58.76 3ibb h HIS 12 Cb 0.94 -0.33 0.02 0.00 1.06 0.00 0.00 27.41 29.10 3ibb h HIS 12 CO 0.00 0.60 0.38 0.95 0.86 0.00 0.00 177.93 180.72 3ibb s THR 13 N -5.87 4.45 0.13 2.45 -4.23 -1.26 -4.91 115.64 106.40 3ibb s THR 13 Ca -0.11 1.16 -0.17 0.00 -1.18 0.00 0.00 61.69 61.39 3ibb s THR 13 Cb 0.18 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 3ibb s THR 13 CO 0.79 -0.69 1.73 0.74 -0.54 0.00 0.00 174.62 176.64 3ibb h THR 14 N 0.79 1.15 -0.44 3.99 2.02 -1.96 -1.94 112.91 116.52 3ibb h THR 14 Ca -0.47 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 3ibb h THR 14 Cb 1.19 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3ibb h THR 14 CO 0.61 0.15 -0.01 0.00 0.37 0.00 0.00 175.52 176.65 3ibb h ALA 15 N 1.05 1.17 -0.89 6.16 0.00 -1.92 -2.05 119.26 122.78 3ibb h ALA 15 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ibb h ALA 15 Cb 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ibb h ALA 15 CO -0.02 0.54 0.57 0.78 0.00 0.00 0.00 179.25 181.12 3ibb h GLY 16 N 0.95 1.27 1.23 0.00 0.00 -1.47 -1.21 103.07 103.84 3ibb h GLY 16 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3ibb h GLY 16 CO 0.02 0.48 0.41 0.50 0.00 0.00 0.00 176.54 177.95 3ibb h LYS 17 N 1.22 1.02 -0.66 4.80 1.57 -0.81 -1.49 116.57 122.22 3ibb h LYS 17 Ca 0.32 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3ibb h LYS 17 Cb -0.11 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 3ibb h LYS 17 CO -0.07 0.74 0.19 -0.07 -0.57 0.00 0.00 179.45 179.67 3ibb h LEU 18 N 1.03 0.96 -1.25 2.94 3.38 -1.17 0.14 115.31 121.34 3ibb h LEU 18 Ca 0.26 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ibb h LEU 18 Cb 0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3ibb h LEU 18 CO -0.04 0.91 0.52 0.00 0.09 0.00 0.00 178.44 179.91 3ibb h ALA 19 N 1.22 1.48 -0.61 1.53 0.00 -1.10 -1.93 119.26 119.85 3ibb h ALA 19 Ca 0.21 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ibb h ALA 19 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ibb h ALA 19 CO -0.00 0.46 0.07 0.22 0.00 0.00 0.00 179.25 180.00 3ibb h ASP 20 N 1.02 0.99 -0.47 0.00 1.82 0.17 -2.01 116.42 117.94 3ibb h ASP 20 Ca 0.30 -0.27 -0.03 0.00 -0.39 0.00 0.00 57.03 56.63 3ibb h ASP 20 Cb -0.05 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.68 3ibb h ASP 20 CO -0.07 1.01 0.16 0.25 -1.61 0.00 0.00 179.24 178.98 3ibb h LEU 21 N 0.93 0.67 -0.74 2.28 5.85 -0.76 -2.89 115.31 120.65 3ibb h LEU 21 Ca 0.18 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3ibb h LEU 21 Cb 0.46 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3ibb h LEU 21 CO 0.02 0.68 0.28 0.03 -0.34 0.00 0.00 178.44 179.11 3ibb h ARG 22 N 0.62 1.11 -0.43 1.25 3.08 -1.32 -1.45 114.38 117.24 3ibb h ARG 22 Ca 0.15 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ibb h ARG 22 Cb 0.24 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3ibb h ARG 22 CO -0.01 0.92 0.25 -0.09 -1.07 0.00 0.00 179.97 179.96 3ibb h ARG 23 N 1.06 0.59 -0.64 0.04 1.12 -1.42 -1.68 114.38 113.46 3ibb h ARG 23 Ca 0.24 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.98 3ibb h ARG 23 Cb 0.23 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.05 3ibb h ARG 23 CO -0.02 0.45 0.11 0.00 -3.11 0.00 0.00 179.97 177.40 3ibb h ARG 24 N 0.56 1.06 -0.40 0.20 3.08 -1.19 -1.88 114.38 115.82 3ibb h ARG 24 Ca 0.15 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3ibb h ARG 24 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ibb h ARG 24 CO -0.03 0.98 0.16 0.82 -1.07 0.00 0.00 179.97 180.84 3ibb h ILE 25 N 0.98 1.15 -0.70 2.04 2.04 -1.17 0.95 117.51 122.79 3ibb h ILE 25 Ca 0.19 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3ibb h ILE 25 Cb 0.43 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3ibb h ILE 25 CO 0.01 0.18 0.44 -0.08 0.00 0.00 0.00 178.15 178.71 3ibb h GLU 26 N 0.56 0.85 -0.15 2.37 4.57 -0.49 -2.68 114.58 119.61 3ibb h GLU 26 Ca 0.14 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3ibb h GLU 26 Cb 0.11 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3ibb h GLU 26 CO -0.02 0.56 -0.06 0.93 -1.18 0.00 0.00 179.01 179.24 3ibb h GLU 27 N 0.87 0.30 -0.66 1.92 5.08 -0.80 -3.28 114.58 118.01 3ibb h GLU 27 Ca 0.28 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3ibb h GLU 27 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3ibb h GLU 27 CO -0.10 0.62 0.33 0.00 -1.00 0.00 0.00 179.01 178.85 3ibb h ALA 28 N 0.67 0.85 -0.56 3.43 0.00 -0.52 -1.00 119.26 122.13 3ibb h ALA 28 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ibb h ALA 28 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ibb h ALA 28 CO 0.02 0.41 0.29 1.79 0.00 0.00 0.00 179.25 181.76 3ibb h THR 29 N 0.92 1.20 -0.82 0.00 1.35 -1.75 -1.18 112.91 112.62 3ibb h THR 29 Ca 0.23 -0.52 -0.74 0.00 -0.55 0.00 0.00 66.41 64.83 3ibb h THR 29 Cb 0.10 0.51 -0.11 0.00 -1.73 0.00 0.00 68.15 66.92 3ibb h THR 29 CO -0.03 0.22 2.50 1.41 -0.25 0.00 0.00 175.52 179.37 3ibb n HIS 30 N -4.58 3.13 -3.82 4.73 -0.00 -0.41 -4.93 115.22 109.34 3ibb n HIS 30 Ca 0.03 -2.87 -0.35 0.00 -0.00 0.00 0.00 57.72 54.54 3ibb n HIS 30 Cb 0.10 -2.18 -0.08 0.00 -0.00 0.00 0.00 29.99 27.82 3ibb n HIS 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ibb s ALA 31 N 1.42 3.63 0.00 -1.41 0.00 -0.45 -4.75 121.76 120.21 3ibb s ALA 31 Ca 0.43 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3ibb s ALA 31 Cb 0.12 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3ibb s ALA 31 CO -0.04 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.34 3ibb n GLY 32 N 3.38 2.64 3.80 0.00 0.00 -1.26 -4.66 105.19 109.08 3ibb n GLY 32 Ca -0.16 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3ibb n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibb s SER 33 N 0.00 5.92 0.34 1.61 1.04 -1.26 -4.95 113.70 116.40 3ibb s SER 33 Ca 0.00 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.35 3ibb s SER 33 Cb 0.00 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 64.17 3ibb s SER 33 CO 0.00 -1.07 1.97 0.00 0.98 0.00 0.00 173.24 175.12 3ibb h ALA 34 N 0.87 1.48 -0.52 5.32 0.00 -1.99 -2.24 119.26 122.18 3ibb h ALA 34 Ca -0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 3ibb h ALA 34 Cb 1.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ibb h ALA 34 CO 0.58 0.44 0.16 -0.09 0.00 0.00 0.00 179.25 180.34 3ibb h ARG 35 N 0.82 0.81 -0.60 0.00 1.12 -2.00 -2.80 114.38 111.72 3ibb h ARG 35 Ca 0.21 -0.17 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 3ibb h ARG 35 Cb 0.00 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 29.82 3ibb h ARG 35 CO -0.04 0.75 0.26 0.00 -3.11 0.00 0.00 179.97 177.83 3ibb h ALA 36 N 1.02 0.78 -0.77 2.80 0.00 -1.80 -2.37 119.26 118.93 3ibb h ALA 36 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ibb h ALA 36 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ibb h ALA 36 CO -0.01 0.38 0.30 0.28 0.00 0.00 0.00 179.25 180.20 3ibb h VAL 37 N 0.83 1.26 -0.60 0.00 2.07 -1.42 0.27 116.25 118.66 3ibb h VAL 37 Ca 0.20 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3ibb h VAL 37 Cb 0.17 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3ibb h VAL 37 CO -0.02 0.33 0.33 1.05 0.02 0.00 0.00 177.57 179.28 3ibb h GLU 38 N 1.12 0.83 -1.00 1.57 4.11 -1.38 -2.45 114.58 117.37 3ibb h GLU 38 Ca 0.26 -0.09 0.05 0.00 0.07 0.00 0.00 59.36 59.65 3ibb h GLU 38 Cb 0.22 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3ibb h GLU 38 CO -0.02 0.61 0.65 0.87 0.07 0.00 0.00 179.01 181.19 3ibb h LYS 39 N 0.84 1.19 -0.44 1.06 1.79 0.08 0.27 116.57 121.36 3ibb h LYS 39 Ca 0.21 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 3ibb h LYS 39 Cb 0.03 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.39 3ibb h LYS 39 CO -0.03 0.79 -0.11 0.37 -1.08 0.00 0.00 179.45 179.39 3ibb h GLN 40 N 1.23 0.86 -0.45 3.15 5.75 -1.15 -3.20 115.11 121.29 3ibb h GLN 40 Ca 0.41 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3ibb h GLN 40 Cb 0.06 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3ibb h GLN 40 CO -0.14 0.97 0.22 0.45 -2.65 0.00 0.00 178.83 177.67 3ibb h HIS 41 N 0.69 0.61 -0.53 3.99 3.86 -0.77 -0.40 115.15 122.60 3ibb h HIS 41 Ca 0.11 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 3ibb h HIS 41 Cb 0.65 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 3ibb h HIS 41 CO 0.05 0.45 0.35 0.00 0.86 0.00 0.00 177.93 179.64 3ibb h ALA 42 N 1.62 1.84 -0.00 2.45 0.00 -1.22 -1.90 119.26 122.05 3ibb h ALA 42 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ibb h ALA 42 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ibb h ALA 42 CO -0.02 0.08 -0.33 1.63 0.00 0.00 0.00 179.25 180.61 3ibb n LYS 43 N -4.47 0.50 -0.48 0.00 5.02 -0.17 -4.94 118.16 113.61 3ibb n LYS 43 Ca 0.07 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3ibb n LYS 43 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3ibb n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibb n GLY 44 N 1.40 0.75 3.80 0.72 0.00 -0.71 -5.05 105.19 106.10 3ibb n GLY 44 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3ibb n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibb s LYS 45 N -0.52 4.36 0.51 1.61 1.02 -1.19 -4.78 119.74 120.76 3ibb s LYS 45 Ca 0.00 0.96 -0.22 0.00 0.02 0.00 0.00 55.97 56.73 3ibb s LYS 45 Cb 0.00 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 34.17 3ibb s LYS 45 CO 0.00 0.50 1.23 -0.51 -0.92 0.00 0.00 175.35 175.65 3ibb s LEU 46 N -1.52 3.88 0.59 3.17 1.02 -1.26 -4.30 118.68 120.26 3ibb s LEU 46 Ca 0.38 2.45 -0.17 0.00 0.02 0.00 0.00 54.13 56.81 3ibb s LEU 46 Cb -0.20 -4.34 -0.04 0.00 0.02 0.00 0.00 46.19 41.64 3ibb s LEU 46 CO 0.23 -1.26 1.08 0.42 0.02 0.00 0.00 176.35 176.84 3ibb s THR 47 N -1.49 3.54 0.29 5.49 -4.23 -1.26 -4.77 115.64 113.22 3ibb s THR 47 Ca 0.69 0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 61.98 3ibb s THR 47 Cb -0.32 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.46 3ibb s THR 47 CO 0.38 -0.37 1.94 0.00 -0.54 0.00 0.00 174.62 176.03 3ibb h ALA 48 N 0.62 1.37 -0.63 3.99 0.00 -1.96 1.74 119.26 124.38 3ibb h ALA 48 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ibb h ALA 48 Cb 1.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3ibb h ALA 48 CO 0.57 0.55 0.41 0.00 0.00 0.00 0.00 179.25 180.78 3ibb h ARG 49 N 1.08 0.84 -0.28 0.00 2.47 -1.92 -2.61 114.38 113.96 3ibb h ARG 49 Ca 0.28 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 3ibb h ARG 49 Cb -0.06 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 3ibb h ARG 49 CO -0.06 0.57 0.13 0.93 0.56 0.00 0.00 179.97 182.10 3ibb h GLU 50 N 0.86 0.40 -0.68 0.04 5.08 0.23 0.32 114.58 120.83 3ibb h GLU 50 Ca 0.23 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3ibb h GLU 50 Cb -0.08 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3ibb h GLU 50 CO -0.05 0.40 0.13 0.00 -1.00 0.00 0.00 179.01 178.49 3ibb h ARG 51 N 0.31 1.11 -0.41 2.33 3.08 -1.27 -0.63 114.38 118.89 3ibb h ARG 51 Ca 0.09 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3ibb h ARG 51 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ibb h ARG 51 CO -0.01 1.01 0.26 0.97 -1.07 0.00 0.00 179.97 181.12 3ibb h ILE 52 N 1.04 1.11 -0.32 2.04 2.10 -1.08 -1.49 117.51 120.92 3ibb h ILE 52 Ca 0.21 -0.23 -0.01 0.00 1.08 0.00 0.00 64.86 65.90 3ibb h ILE 52 Cb 0.42 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 3ibb h ILE 52 CO 0.01 0.11 0.14 -0.78 -1.08 0.00 0.00 178.15 176.56 3ibb h ASP 53 N 0.56 0.42 0.17 2.19 1.82 0.92 -3.07 116.42 119.43 3ibb h ASP 53 Ca 0.15 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 3ibb h ASP 53 Cb -0.04 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.86 3ibb h ASP 53 CO -0.03 0.44 -0.08 0.25 -1.61 0.00 0.00 179.24 178.21 3ibb h LEU 54 N 0.37 -0.19 -0.35 2.28 5.85 -0.47 -3.38 115.31 119.40 3ibb h LEU 54 Ca 0.11 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3ibb h LEU 54 Cb 0.14 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3ibb h LEU 54 CO -0.01 0.13 -0.05 0.25 -0.34 0.00 0.00 178.44 178.41 3ibb h LEU 55 N -0.53 0.66-10.36 2.25 6.46 -1.36 -3.46 115.31 108.97 3ibb h LEU 55 Ca -0.02 -0.34 -0.50 0.00 -0.12 0.00 0.00 57.88 56.89 3ibb h LEU 55 Cb 0.40 -0.18 0.05 0.00 -0.73 0.00 0.00 40.66 40.21 3ibb h LEU 55 CO 0.04 0.85 0.32 -0.76 -0.62 0.00 0.00 178.44 178.27 3ibb s LEU 56 N -9.34 3.31 1.20 2.25 1.43 -1.16 -4.80 118.68 111.57 3ibb s LEU 56 Ca -0.13 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 3ibb s LEU 56 Cb 0.09 -4.22 0.28 0.00 0.03 0.00 0.00 46.19 42.38 3ibb s LEU 56 CO 0.79 -0.84 1.05 -1.81 0.23 0.00 0.00 176.35 175.77 3ibb s ASP 57 N -4.18 0.89 -0.06 2.29 1.01 0.24 -4.89 116.67 111.97 3ibb s ASP 57 Ca 0.53 0.98 -0.26 0.00 0.71 0.00 0.00 52.55 54.51 3ibb s ASP 57 Cb -0.11 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 3ibb s ASP 57 CO 0.51 -4.18 0.81 -1.61 0.21 0.00 0.00 175.17 170.91 3ibb s GLU 58 N -5.03 4.46 0.00 8.23 0.41 -1.26 -1.52 118.70 123.98 3ibb s GLU 58 Ca 0.69 1.08 0.00 0.00 -0.41 0.00 0.00 54.97 56.32 3ibb s GLU 58 Cb -0.16 -3.47 0.00 0.00 -1.78 0.00 0.00 34.13 28.72 3ibb s GLU 58 CO 0.59 -0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.73 3ibb n GLY 59 N 3.09 0.76 0.18 -1.39 0.00 -1.26 -4.88 105.19 101.68 3ibb n GLY 59 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3ibb n GLY 59 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ibb h SER 60 N 0.00 0.50 -3.65 1.61 0.87 -1.61 -3.45 113.55 107.83 3ibb h SER 60 Ca 0.00 -0.25 -0.51 0.00 -1.23 0.00 0.00 61.79 59.80 3ibb h SER 60 Cb 0.03 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 3ibb h SER 60 CO 0.00 0.62 0.24 0.12 -0.53 0.00 0.00 176.83 177.28 3ibb s PHE 61 N -5.23 3.86 -0.09 2.24 5.36 -1.26 -3.49 117.98 119.38 3ibb s PHE 61 Ca -0.13 1.70 0.05 0.00 -0.96 0.00 0.00 56.93 57.58 3ibb s PHE 61 Cb 0.09 -2.83 -0.00 0.00 -0.34 0.00 0.00 43.02 39.94 3ibb s PHE 61 CO 0.75 0.43 -0.24 0.08 -1.46 0.00 0.00 175.22 174.78 3ibb s VAL 62 N -1.28 2.08 0.68 3.12 1.01 0.51 -4.95 120.40 121.57 3ibb s VAL 62 Ca 0.40 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3ibb s VAL 62 Cb -0.22 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3ibb s VAL 62 CO 0.27 0.56 1.08 -0.70 0.00 0.00 0.00 175.10 176.31 3ibb s GLU 63 N 0.19 2.85 0.03 2.72 2.56 -1.26 -1.05 118.70 124.74 3ibb s GLU 63 Ca -0.14 1.17 0.01 0.00 0.00 0.00 0.00 54.97 56.01 3ibb s GLU 63 Cb -0.17 -1.97 -0.02 0.00 2.00 0.00 0.00 34.13 33.97 3ibb s GLU 63 CO 0.07 -1.18 -0.05 -0.51 -0.56 0.00 0.00 175.26 173.03 3ibb s LEU 64 N -5.19 2.25 -1.46 2.70 1.02 -0.80 -4.86 118.68 112.34 3ibb s LEU 64 Ca 0.62 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.25 3ibb s LEU 64 Cb -0.17 -0.02 0.00 0.00 0.02 0.00 0.00 46.19 46.02 3ibb s LEU 64 CO 0.47 -0.26 0.00 0.47 0.02 0.00 0.00 176.35 177.06 3ibb n ASP 65 N 1.54 -4.67 0.29 2.29 8.00 -1.26 -4.51 116.55 118.24 3ibb n ASP 65 Ca -0.23 0.17 0.16 0.00 0.71 0.00 0.00 54.79 55.60 3ibb n ASP 65 Cb 0.55 -3.99 0.91 0.00 -0.02 0.00 0.00 41.12 38.57 3ibb n ASP 65 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3ibb h GLU 66 N 0.00 0.00 0.07 -1.24 4.81 -1.91 -2.06 114.58 114.25 3ibb h GLU 66 Ca -0.37 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.61 3ibb h GLU 66 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3ibb h GLU 66 CO 0.46 0.04 -1.29 0.74 -0.73 0.00 0.00 179.01 178.24 3ibb h PHE 67 N 0.00 0.29 -4.19 0.92 0.04 -1.86 -2.07 116.94 110.06 3ibb h PHE 67 Ca -0.00 -0.21 -0.54 0.00 2.80 0.00 0.00 57.97 60.02 3ibb h PHE 67 Cb 0.17 -0.01 0.18 0.00 2.20 0.00 0.00 35.95 38.49 3ibb h PHE 67 CO 0.00 1.50 0.37 0.00 -0.60 0.00 0.00 178.31 179.58 3ibb n ALA 68 N -3.05 0.16 -2.81 2.45 0.00 -0.77 -2.87 120.51 113.62 3ibb n ALA 68 Ca -0.26 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 3ibb n ALA 68 Cb 0.82 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 3ibb n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ibb s ARG 69 N -4.02 0.57 0.48 0.00 0.52 -1.26 -1.88 118.95 113.36 3ibb s ARG 69 Ca 0.75 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 55.09 3ibb s ARG 69 Cb -0.30 -0.42 -0.09 0.00 0.52 0.00 0.00 34.95 34.65 3ibb s ARG 69 CO 0.49 0.09 1.01 -3.38 0.02 0.00 0.00 175.30 173.53 3ibb s HIS 70 N -1.08 3.10 -1.46 -0.53 -3.43 -1.26 -4.88 115.29 105.76 3ibb s HIS 70 Ca -0.06 1.58 0.19 0.00 -0.80 0.00 0.00 55.06 55.97 3ibb s HIS 70 Cb -0.08 -2.99 -0.06 0.00 -1.43 0.00 0.00 32.58 28.01 3ibb s HIS 70 CO 0.01 -0.62 0.90 0.54 -2.00 0.00 0.00 174.74 173.57 3ibb n ARG 71 N -0.95 1.36 -2.53 -0.38 1.74 -1.26 -4.99 116.66 109.66 3ibb n ARG 71 Ca 0.08 -0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 56.21 3ibb n ARG 71 Cb 0.53 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 3ibb n ARG 71 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ibb s SER 72 N -2.32 6.38 0.00 0.55 0.15 -1.26 -5.00 113.70 112.20 3ibb s SER 72 Ca 0.13 1.87 0.03 0.00 0.70 0.00 0.00 55.95 58.68 3ibb s SER 72 Cb 0.15 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 3ibb s SER 72 CO 0.56 -0.76 0.59 0.35 1.20 0.00 0.00 173.24 175.18 3ibb n THR 73 N -1.05 0.01 -1.95 6.45 -2.24 -1.26 -4.19 114.28 110.06 3ibb n THR 73 Ca 0.09 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3ibb n THR 73 Cb 0.53 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 3ibb n THR 73 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ibb s ASN 74 N -0.22 6.57 -1.44 3.42 0.02 -1.26 -3.55 114.94 118.47 3ibb s ASN 74 Ca 0.03 2.77 -0.10 0.00 -1.02 0.00 0.00 52.86 54.55 3ibb s ASN 74 Cb 0.02 -2.63 0.04 0.00 0.02 0.00 0.00 41.25 38.69 3ibb s ASN 74 CO 0.03 -0.75 0.99 0.49 0.02 0.00 0.00 177.10 177.88 3ibb n PHE 75 N 1.97 -2.51 -1.79 2.20 3.72 -1.26 1.00 117.46 120.78 3ibb n PHE 75 Ca 0.06 0.87 -0.15 0.00 -0.05 0.00 0.00 57.45 58.18 3ibb n PHE 75 Cb 0.40 -4.53 -0.04 0.00 -0.94 0.00 0.00 39.48 34.36 3ibb n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibb n GLY 76 N -1.80 0.82 0.23 1.37 0.00 -1.23 -4.89 105.19 99.69 3ibb n GLY 76 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 3ibb n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ibb h LEU 77 N 0.00 0.68 -1.80 0.99 5.85 0.54 -3.13 115.31 118.44 3ibb h LEU 77 Ca -0.33 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.35 3ibb h LEU 77 Cb 1.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3ibb h LEU 77 CO 0.45 0.59 0.29 -2.24 -0.34 0.00 0.00 178.44 177.19 3ibb h ASP 78 N 0.71 0.22 -1.33 1.25 -0.00 -1.75 -1.63 116.42 113.88 3ibb h ASP 78 Ca 0.18 0.00 0.38 0.00 -0.00 0.00 0.00 57.03 57.60 3ibb h ASP 78 Cb 0.08 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.33 39.30 3ibb h ASP 78 CO -0.03 0.14 0.94 0.00 -0.00 0.00 0.00 179.24 180.29 3ibb h ALA 79 N 1.78 3.13 -3.23 4.15 0.00 -1.92 -3.26 119.26 119.92 3ibb h ALA 79 Ca 0.19 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.41 3ibb h ALA 79 Cb 0.45 0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.04 3ibb h ALA 79 CO -0.04 -1.54 -0.81 -0.80 0.00 0.00 0.00 179.25 176.05 3ibb s ASN 80 N -4.89 3.58 -0.49 0.00 0.01 -0.62 -5.06 114.94 107.48 3ibb s ASN 80 Ca -0.06 -0.48 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 3ibb s ASN 80 Cb 0.24 -1.54 0.24 0.00 0.41 0.00 0.00 41.25 40.60 3ibb s ASN 80 CO 0.82 0.10 0.58 0.54 -1.51 0.00 0.00 177.10 177.63 3ibb n ARG 81 N 3.93 1.32 -3.33 -0.60 5.12 -1.23 -4.96 116.66 116.90 3ibb n ARG 81 Ca -0.19 -3.77 -0.40 0.00 -1.93 0.00 0.00 57.85 51.57 3ibb n ARG 81 Cb 0.52 -1.66 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 3ibb n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ibb s PRO 82 N -1.50 3.93 0.28 5.56 0.04 -1.26 -4.90 135.00 137.15 3ibb s PRO 82 Ca 0.36 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3ibb s PRO 82 Cb 0.14 -3.69 -0.12 0.00 0.04 0.00 0.00 34.50 30.86 3ibb s PRO 82 CO -0.09 -0.37 1.51 0.66 0.04 0.00 0.00 177.00 178.75 3ibb n TYR 83 N 5.44 2.57 0.00 0.56 4.02 -1.25 -0.57 117.16 127.93 3ibb n TYR 83 Ca -0.07 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.16 3ibb n TYR 83 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.28 3ibb n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ibb n GLY 84 N 2.08 2.00 3.07 2.72 0.00 -0.78 -4.57 105.19 109.72 3ibb n GLY 84 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ibb n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ibb n ASP 85 N 0.00 -2.62 0.00 1.61 8.00 0.26 -0.45 116.55 123.35 3ibb n ASP 85 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ibb n ASP 85 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 3ibb n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibb n GLY 86 N -1.21 0.70 3.36 0.44 0.00 -1.26 -4.58 105.19 102.63 3ibb n GLY 86 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ibb n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibb s VAL 87 N -2.45 2.35 -0.33 1.61 0.11 0.40 0.12 120.40 122.21 3ibb s VAL 87 Ca 0.00 -0.99 -0.13 0.00 -2.93 0.00 0.00 61.98 57.93 3ibb s VAL 87 Cb 0.00 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 3ibb s VAL 87 CO 0.00 0.58 0.26 -0.69 -3.33 0.00 0.00 175.10 171.92 3ibb s VAL 88 N -0.61 5.27 -0.09 2.04 1.01 0.14 -4.76 120.40 123.39 3ibb s VAL 88 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3ibb s VAL 88 Cb -0.10 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3ibb s VAL 88 CO -0.00 0.04 -0.19 0.42 0.00 0.00 0.00 175.10 175.36 3ibb s THR 89 N 1.80 2.56 0.17 3.92 -4.23 -1.26 0.40 115.64 118.99 3ibb s THR 89 Ca 0.08 -0.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 3ibb s THR 89 Cb -0.17 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 3ibb s THR 89 CO 0.11 0.56 0.26 -0.83 -0.54 0.00 0.00 174.62 174.17 3ibb s GLY 90 N 0.03 0.59 -0.09 3.99 0.00 0.26 -1.90 107.32 110.21 3ibb s GLY 90 Ca -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 3ibb s GLY 90 CO 0.05 -0.92 0.17 -2.52 0.00 0.00 0.00 173.10 169.88 3ibb s TYR 91 N -3.99 -0.22 0.08 1.90 -0.85 -0.21 -0.97 117.35 113.09 3ibb s TYR 91 Ca 0.19 0.65 -0.04 0.00 -0.52 0.00 0.00 57.07 57.35 3ibb s TYR 91 Cb 0.04 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 3ibb s TYR 91 CO 0.01 -0.26 0.07 0.20 -1.52 0.00 0.00 175.55 174.05 3ibb s GLY 92 N 2.06 0.43 -0.13 5.49 0.00 -0.83 -0.36 107.32 113.98 3ibb s GLY 92 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 3ibb s GLY 92 CO -0.06 -1.14 0.24 -1.08 0.00 0.00 0.00 173.10 171.05 3ibb s THR 93 N -3.92 5.34 -0.27 0.90 -1.32 -1.23 -2.09 115.64 113.05 3ibb s THR 93 Ca 0.09 0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 60.95 3ibb s THR 93 Cb 0.07 -3.55 0.01 0.00 -1.51 0.00 0.00 72.50 67.52 3ibb s THR 93 CO -0.08 0.50 0.02 -0.69 -2.21 0.00 0.00 174.62 172.15 3ibb s VAL 94 N -0.23 3.58 -1.51 5.08 1.01 0.86 0.80 120.40 129.98 3ibb s VAL 94 Ca 0.16 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3ibb s VAL 94 Cb -0.13 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.54 3ibb s VAL 94 CO 0.04 0.19 0.95 0.47 0.00 0.00 0.00 175.10 176.75 3ibb n ASP 95 N 4.80 -4.37 0.00 3.32 10.43 -1.26 -0.95 116.55 128.52 3ibb n ASP 95 Ca -0.16 -0.79 0.00 0.00 2.57 0.00 0.00 54.79 56.41 3ibb n ASP 95 Cb 0.48 -3.89 0.00 0.00 1.84 0.00 0.00 41.12 39.56 3ibb n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ibb n GLY 96 N -1.69 0.56 3.25 0.44 0.00 -1.26 -5.05 105.19 101.44 3ibb n GLY 96 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 3ibb n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibb s ARG 97 N -0.43 1.03 0.14 1.61 0.52 -0.13 -5.04 118.95 116.64 3ibb s ARG 97 Ca 0.00 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 53.81 3ibb s ARG 97 Cb 0.00 -1.21 -0.10 0.00 0.52 0.00 0.00 34.95 34.16 3ibb s ARG 97 CO 0.00 0.28 1.75 -1.25 0.02 0.00 0.00 175.30 176.10 3ibb s PRO 98 N -1.82 4.15 0.04 3.54 0.04 -1.26 -0.10 135.00 139.59 3ibb s PRO 98 Ca 0.04 2.53 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 3ibb s PRO 98 Cb -0.10 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 3ibb s PRO 98 CO 0.03 -0.78 -0.01 0.54 0.04 0.00 0.00 177.00 176.82 3ibb s VAL 99 N 2.25 0.17 -0.05 -0.36 0.11 -0.89 -4.32 120.40 117.30 3ibb s VAL 99 Ca 0.77 -1.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 3ibb s VAL 99 Cb -0.45 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.44 3ibb s VAL 99 CO 0.34 -0.75 -0.23 0.00 -3.33 0.00 0.00 175.10 171.13 3ibb s ALA 100 N -2.80 2.00 0.03 1.54 0.00 -0.77 -1.97 121.76 119.80 3ibb s ALA 100 Ca -0.03 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3ibb s ALA 100 Cb -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3ibb s ALA 100 CO -0.06 0.38 -0.09 0.54 0.00 0.00 0.00 175.76 176.54 3ibb s VAL 101 N -0.13 0.65 -0.01 0.00 0.11 -0.14 -2.70 120.40 118.18 3ibb s VAL 101 Ca -0.03 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 3ibb s VAL 101 Cb -0.13 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3ibb s VAL 101 CO 0.03 -0.20 -0.05 0.72 -3.33 0.00 0.00 175.10 172.27 3ibb s PHE 102 N -1.00 0.57 -0.14 1.54 -0.71 -1.19 0.89 117.98 117.94 3ibb s PHE 102 Ca -0.05 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 3ibb s PHE 102 Cb -0.08 -0.42 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 3ibb s PHE 102 CO 0.01 -0.06 -0.19 0.45 -1.34 0.00 0.00 175.22 174.09 3ibb s SER 103 N 0.16 3.41 0.31 1.98 0.15 0.16 -0.10 113.70 119.76 3ibb s SER 103 Ca -0.02 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.83 3ibb s SER 103 Cb -0.06 -1.50 -0.11 0.00 -1.71 0.00 0.00 66.02 62.65 3ibb s SER 103 CO -0.00 0.11 1.44 -1.10 1.20 0.00 0.00 173.24 174.89 3ibb s GLN 104 N 0.65 4.23 -0.25 5.44 -0.21 -0.83 0.27 119.66 128.97 3ibb s GLN 104 Ca -0.10 2.39 -0.19 0.00 0.02 0.00 0.00 55.36 57.48 3ibb s GLN 104 Cb -0.16 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 3ibb s GLN 104 CO 0.02 -0.42 0.58 0.34 -2.12 0.00 0.00 175.29 173.68 3ibb s ASP 105 N 0.05 6.53 0.16 5.90 -1.08 0.32 -4.63 116.67 123.93 3ibb s ASP 105 Ca 0.56 0.64 -0.13 0.00 -0.52 0.00 0.00 52.55 53.10 3ibb s ASP 105 Cb -0.43 -2.31 0.05 0.00 -1.46 0.00 0.00 42.92 38.77 3ibb s ASP 105 CO 0.51 -0.32 1.71 0.15 0.52 0.00 0.00 175.17 177.75 3ibb h PHE 106 N 7.88 0.84 -0.72 -5.34 3.57 -1.85 -3.16 116.94 118.15 3ibb h PHE 106 Ca -0.28 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.13 3ibb h PHE 106 Cb 1.13 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3ibb h PHE 106 CO 0.75 0.69 0.38 1.79 -2.23 0.00 0.00 178.31 179.69 3ibb h THR 107 N 0.75 1.22 -3.29 4.41 1.35 -1.91 -1.66 112.91 113.79 3ibb h THR 107 Ca 0.18 -0.56 -0.59 0.00 -0.55 0.00 0.00 66.41 64.89 3ibb h THR 107 Cb 0.21 0.25 -0.08 0.00 -1.73 0.00 0.00 68.15 66.80 3ibb h THR 107 CO -0.01 0.25 0.45 -0.69 -0.25 0.00 0.00 175.52 175.27 3ibb s VAL 108 N -5.65 4.85 -0.89 6.82 1.01 -1.25 -3.80 120.40 121.48 3ibb s VAL 108 Ca -0.11 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 3ibb s VAL 108 Cb 0.17 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3ibb s VAL 108 CO 0.80 -0.05 0.13 0.49 0.00 0.00 0.00 175.10 176.47 3ibb n PHE 109 N 5.82 -1.63 -1.02 5.22 3.72 -1.26 -0.96 117.46 127.34 3ibb n PHE 109 Ca 0.05 0.13 -0.01 0.00 -0.05 0.00 0.00 57.45 57.58 3ibb n PHE 109 Cb 0.48 -2.38 -0.00 0.00 -0.94 0.00 0.00 39.48 36.63 3ibb n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibb n GLY 110 N -0.83 0.38 2.10 1.37 0.00 -0.67 -1.81 105.19 105.72 3ibb n GLY 110 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3ibb n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 111 N -1.61 0.59 3.77 -0.02 0.00 -0.14 -2.25 105.19 105.53 3ibb n GLY 111 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3ibb n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 112 N -2.31 3.14 0.60 4.61 0.00 -0.75 -3.34 121.76 123.70 3ibb s ALA 112 Ca 0.00 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 3ibb s ALA 112 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3ibb s ALA 112 CO 0.00 -0.61 1.07 -1.17 0.00 0.00 0.00 175.76 175.05 3ibb s LEU 113 N -2.57 3.52 0.14 0.00 1.98 -0.84 -4.45 118.68 116.45 3ibb s LEU 113 Ca 0.58 1.89 -0.11 0.00 -2.89 0.00 0.00 54.13 53.60 3ibb s LEU 113 Cb -0.32 -4.54 0.00 0.00 0.66 0.00 0.00 46.19 42.00 3ibb s LEU 113 CO 0.40 -1.23 0.31 -0.83 -1.89 0.00 0.00 176.35 173.10 3ibb s GLY 114 N -2.62 0.17 0.08 7.98 0.00 -1.26 -0.59 107.32 111.09 3ibb s GLY 114 Ca 0.65 -0.59 -0.21 0.00 0.00 0.00 0.00 44.72 44.56 3ibb s GLY 114 CO 0.36 -0.67 1.63 -2.09 0.00 0.00 0.00 173.10 172.33 3ibb h GLU 115 N 2.53 0.18 -0.07 2.90 4.81 -1.90 1.30 114.58 124.33 3ibb h GLU 115 Ca -0.32 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3ibb h GLU 115 Cb 1.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3ibb h GLU 115 CO 0.49 0.26 -0.31 -0.39 -0.73 0.00 0.00 179.01 178.32 3ibb h VAL 116 N 0.06 1.25 -0.22 0.32 -1.51 -1.97 -3.13 116.25 111.06 3ibb h VAL 116 Ca 0.04 -1.20 -0.14 0.00 -1.23 0.00 0.00 66.70 64.17 3ibb h VAL 116 Cb 0.14 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 3ibb h VAL 116 CO -0.00 0.35 -0.46 0.22 -1.23 0.00 0.00 177.57 176.45 3ibb h TYR 117 N 0.12 0.68 -0.23 5.19 5.03 -1.65 -2.59 116.97 123.52 3ibb h TYR 117 Ca 0.02 -0.21 -0.02 0.00 2.58 0.00 0.00 58.73 61.09 3ibb h TYR 117 Cb 0.62 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 3ibb h TYR 117 CO 0.01 0.92 0.05 0.78 -1.32 0.00 0.00 178.16 178.59 3ibb h GLY 118 N 1.06 0.39 1.03 1.82 0.00 0.16 -3.13 103.07 104.41 3ibb h GLY 118 Ca 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3ibb h GLY 118 CO 0.09 0.23 0.47 1.46 0.00 0.00 0.00 176.54 178.79 3ibb h GLN 119 N 0.18 1.24 -0.66 4.80 4.20 -1.54 0.98 115.11 124.31 3ibb h GLN 119 Ca 0.07 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3ibb h GLN 119 Cb 0.29 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3ibb h GLN 119 CO 0.00 0.92 0.44 -0.22 -0.67 0.00 0.00 178.83 179.30 3ibb h LYS 120 N 1.24 0.86 -0.40 1.46 3.64 -1.51 0.53 116.57 122.40 3ibb h LYS 120 Ca 0.31 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3ibb h LYS 120 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3ibb h LYS 120 CO -0.05 0.57 -0.19 0.82 -2.27 0.00 0.00 179.45 178.33 3ibb h ILE 121 N 0.89 1.28 -0.44 2.00 2.04 -1.41 -3.12 117.51 118.74 3ibb h ILE 121 Ca 0.24 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3ibb h ILE 121 Cb -0.09 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3ibb h ILE 121 CO -0.06 0.45 0.28 0.58 0.00 0.00 0.00 178.15 179.40 3ibb h VAL 122 N 0.65 1.12 -0.33 1.67 2.07 0.12 -1.87 116.25 119.67 3ibb h VAL 122 Ca 0.09 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3ibb h VAL 122 Cb 0.75 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3ibb h VAL 122 CO 0.06 0.12 0.16 0.50 0.02 0.00 0.00 177.57 178.42 3ibb h LYS 123 N 0.60 0.47 -0.47 1.57 3.64 -0.05 0.41 116.57 122.74 3ibb h LYS 123 Ca 0.16 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3ibb h LYS 123 Cb -0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3ibb h LYS 123 CO -0.03 0.44 -0.01 0.28 -2.27 0.00 0.00 179.45 177.86 3ibb h VAL 124 N 0.39 1.24 -0.47 2.00 2.07 -1.31 -0.71 116.25 119.46 3ibb h VAL 124 Ca 0.11 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3ibb h VAL 124 Cb 0.12 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3ibb h VAL 124 CO -0.01 0.36 0.20 0.24 0.02 0.00 0.00 177.57 178.37 3ibb h MET 125 N 0.73 0.70 -0.40 1.57 2.86 -1.12 -1.85 114.93 117.41 3ibb h MET 125 Ca 0.14 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3ibb h MET 125 Cb 0.46 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3ibb h MET 125 CO 0.02 0.62 0.04 -0.44 1.06 0.00 0.00 176.91 178.21 3ibb h ASP 126 N 0.62 0.58 -0.56 1.22 3.45 0.07 -1.73 116.42 120.07 3ibb h ASP 126 Ca 0.16 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 3ibb h ASP 126 Cb 0.17 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 3ibb h ASP 126 CO -0.02 0.63 0.27 0.15 -1.57 0.00 0.00 179.24 178.71 3ibb h PHE 127 N 0.60 0.81 -0.33 4.55 3.57 -1.16 -2.81 116.94 122.18 3ibb h PHE 127 Ca 0.13 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3ibb h PHE 127 Cb 0.32 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3ibb h PHE 127 CO 0.01 0.62 0.13 0.00 -2.23 0.00 0.00 178.31 176.85 3ibb h ALA 128 N 1.11 0.42 -0.56 2.41 0.00 -0.48 -1.57 119.26 120.59 3ibb h ALA 128 Ca 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 128 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ibb h ALA 128 CO -0.03 0.02 0.23 1.25 0.00 0.00 0.00 179.25 180.72 3ibb h LEU 129 N 0.38 0.78 -0.42 0.00 5.85 -1.47 0.65 115.31 121.08 3ibb h LEU 129 Ca 0.11 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ibb h LEU 129 Cb 0.17 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3ibb h LEU 129 CO -0.01 0.73 0.09 0.50 -0.34 0.00 0.00 178.44 179.41 3ibb h LYS 130 N 0.77 0.68 -0.36 1.25 3.64 -1.13 0.21 116.57 121.63 3ibb h LYS 130 Ca 0.19 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3ibb h LYS 130 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3ibb h LYS 130 CO -0.02 0.70 -0.18 1.79 -2.27 0.00 0.00 179.45 179.48 3ibb h THR 131 N 0.54 1.26 0.00 1.00 1.35 -1.39 -3.48 112.91 112.19 3ibb h THR 131 Ca 0.13 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3ibb h THR 131 Cb 0.34 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3ibb h THR 131 CO 0.00 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3ibb n GLY 132 N -0.40 0.73 3.96 5.82 0.00 0.18 -5.06 105.19 110.41 3ibb n GLY 132 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3ibb n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s PRO 134 N -3.60 3.20 -0.18 0.00 0.04 -1.23 -4.41 135.00 128.82 3ibb s PRO 134 Ca 0.34 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 3ibb s PRO 134 Cb -0.10 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3ibb s PRO 134 CO 0.29 -0.90 -0.11 0.08 0.04 0.00 0.00 177.00 176.40 3ibb s VAL 135 N -2.83 2.99 -0.19 -0.36 1.01 -0.83 -1.84 120.40 118.35 3ibb s VAL 135 Ca 0.60 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3ibb s VAL 135 Cb -0.14 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3ibb s VAL 135 CO 0.47 0.49 -0.03 -0.69 0.00 0.00 0.00 175.10 175.34 3ibb s VAL 136 N 0.99 3.75 -0.20 2.92 1.01 -1.10 -0.15 120.40 127.63 3ibb s VAL 136 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3ibb s VAL 136 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3ibb s VAL 136 CO -0.01 0.45 -0.08 -0.83 0.00 0.00 0.00 175.10 174.63 3ibb s GLY 137 N 0.94 1.57 -0.55 4.51 0.00 -0.46 -3.17 107.32 110.16 3ibb s GLY 137 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 44.72 43.36 3ibb s GLY 137 CO 0.01 0.32 0.87 -0.42 0.00 0.00 0.00 173.10 173.88 3ibb s ILE 138 N 1.29 4.50 -0.48 0.90 1.09 0.85 -0.05 121.20 129.30 3ibb s ILE 138 Ca 0.03 0.06 -0.16 0.00 -1.10 0.00 0.00 60.65 59.48 3ibb s ILE 138 Cb -0.14 -4.49 0.08 0.00 -1.06 0.00 0.00 42.46 36.85 3ibb s ILE 138 CO -0.03 -1.07 0.42 0.20 -0.10 0.00 0.00 174.94 174.36 3ibb s ASN 139 N 2.87 6.16 -0.05 3.58 -0.87 0.45 -1.96 114.94 125.11 3ibb s ASN 139 Ca 0.26 -1.38 0.01 0.00 -1.57 0.00 0.00 52.86 50.18 3ibb s ASN 139 Cb -0.14 -2.19 0.02 0.00 -0.02 0.00 0.00 41.25 38.91 3ibb s ASN 139 CO 0.17 -0.69 -0.06 -0.62 -2.57 0.00 0.00 177.10 173.33 3ibb s ASP 140 N 2.76 1.11 0.14 -1.22 2.15 -1.26 -2.40 116.67 117.95 3ibb s ASP 140 Ca 0.04 -0.16 -0.04 0.00 0.43 0.00 0.00 52.55 52.82 3ibb s ASP 140 Cb -0.25 -0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 41.81 3ibb s ASP 140 CO 0.06 -0.03 0.14 -0.94 -0.17 0.00 0.00 175.17 174.23 3ibb s SER 141 N 0.84 0.21 -0.05 -0.34 1.04 -0.89 -4.46 113.70 110.05 3ibb s SER 141 Ca -0.12 -1.08 0.07 0.00 0.48 0.00 0.00 55.95 55.31 3ibb s SER 141 Cb -0.15 0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.43 3ibb s SER 141 CO 0.01 -0.79 1.05 0.61 0.98 0.00 0.00 173.24 175.10 3ibb n GLY 142 N -0.13 2.16 0.00 7.32 0.00 -0.95 -4.17 105.19 109.42 3ibb n GLY 142 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3ibb n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 143 N -0.57 -0.21 3.81 -0.02 0.00 -1.26 -4.74 105.19 102.20 3ibb n GLY 143 Ca 0.06 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 3ibb n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 144 N -1.02 2.74 0.17 4.61 0.00 -1.26 -1.99 121.76 125.01 3ibb s ALA 144 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 3ibb s ALA 144 Cb 0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 3ibb s ALA 144 CO 0.00 -0.91 1.45 1.03 0.00 0.00 0.00 175.76 177.33 3ibb s ARG 145 N -4.38 4.28 0.09 0.00 0.52 0.25 -4.56 118.95 115.15 3ibb s ARG 145 Ca 0.62 2.21 -0.20 0.00 -0.52 0.00 0.00 55.73 57.84 3ibb s ARG 145 Cb -0.15 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 3ibb s ARG 145 CO 0.42 -0.47 1.58 0.82 0.02 0.00 0.00 175.30 177.67 3ibb h ILE 146 N 3.98 1.20 -0.52 1.52 5.03 -1.93 -3.26 117.51 123.54 3ibb h ILE 146 Ca -0.43 -0.66 -0.06 0.00 -0.12 0.00 0.00 64.86 63.59 3ibb h ILE 146 Cb 1.21 1.24 -0.02 0.00 -3.03 0.00 0.00 36.82 36.22 3ibb h ILE 146 CO 0.85 0.21 0.06 1.56 -0.68 0.00 0.00 178.15 180.15 3ibb h GLN 147 N 0.16 0.84 -3.81 2.37 7.50 -1.93 -3.20 115.11 117.03 3ibb h GLN 147 Ca 0.07 -0.20 -0.71 0.00 0.50 0.00 0.00 58.65 58.31 3ibb h GLN 147 Cb 0.27 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 3ibb h GLN 147 CO 0.00 0.80 3.21 0.39 -1.50 0.00 0.00 178.83 181.73 3ibb n GLU 148 N -4.24 3.03 -0.26 1.46 1.02 -1.23 -4.75 120.64 115.67 3ibb n GLU 148 Ca 0.03 -2.58 -0.05 0.00 -0.02 0.00 0.00 57.16 54.54 3ibb n GLU 148 Cb 0.27 -3.19 0.06 0.00 -0.02 0.00 0.00 31.44 28.56 3ibb n GLU 148 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ibb h GLY 149 N 9.40 1.03 -1.46 0.62 0.00 -1.81 -2.52 103.07 108.34 3ibb h GLY 149 Ca 0.61 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ibb h GLY 149 CO 1.86 0.40 0.00 3.33 0.00 0.00 0.00 176.54 182.13 3ibb n VAL 150 N -4.55 1.62 0.00 4.60 0.24 -1.26 -4.50 118.33 114.48 3ibb n VAL 150 Ca 0.06 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 3ibb n VAL 150 Cb 0.04 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 3ibb n VAL 150 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibb n ALA 151 N 0.04 1.31 0.03 2.33 0.00 -1.21 -4.65 120.51 118.37 3ibb n ALA 151 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.62 3ibb n ALA 151 Cb 0.65 0.08 0.37 0.00 0.00 0.00 0.00 19.45 20.56 3ibb n ALA 151 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ibb h SER 152 N 0.00 0.42 -0.66 0.00 0.87 -1.68 0.83 113.55 113.33 3ibb h SER 152 Ca 0.00 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3ibb h SER 152 Cb 0.34 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3ibb h SER 152 CO 0.00 0.43 0.39 -0.07 -0.53 0.00 0.00 176.83 177.05 3ibb h LEU 153 N 0.45 0.79 -1.31 2.23 -0.00 -1.84 -2.93 115.31 112.70 3ibb h LEU 153 Ca 0.11 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3ibb h LEU 153 Cb 0.19 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 3ibb h LEU 153 CO -0.00 0.63 0.01 1.23 -0.00 0.00 0.00 178.44 180.31 3ibb h GLY 154 N 0.89 0.51 1.12 0.83 0.00 -1.12 0.30 103.07 105.60 3ibb h GLY 154 Ca 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3ibb h GLY 154 CO -0.04 0.27 0.45 0.00 0.00 0.00 0.00 176.54 177.21 3ibb h ALA 155 N 1.56 1.24 -0.28 3.60 0.00 -1.34 0.44 119.26 124.48 3ibb h ALA 155 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 155 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ibb h ALA 155 CO 0.01 0.62 0.08 1.88 0.00 0.00 0.00 179.25 181.84 3ibb h TYR 156 N 1.16 0.44 -0.41 0.00 0.05 -0.53 -1.63 116.97 116.05 3ibb h TYR 156 Ca 0.29 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 3ibb h TYR 156 Cb 0.03 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3ibb h TYR 156 CO 0.01 0.48 -0.05 0.78 -1.05 0.00 0.00 178.16 178.33 3ibb h GLY 157 N 0.28 0.74 0.99 3.88 0.00 -0.61 -0.69 103.07 107.68 3ibb h GLY 157 Ca 0.09 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.92 3ibb h GLY 157 CO -0.00 0.47 0.31 0.83 0.00 0.00 0.00 176.54 178.14 3ibb h GLU 158 N 0.64 0.61 -0.53 4.80 4.39 -0.17 -2.54 114.58 121.78 3ibb h GLU 158 Ca 0.12 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 3ibb h GLU 158 Cb 0.47 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3ibb h GLU 158 CO 0.02 0.40 -0.11 0.82 -1.16 0.00 0.00 179.01 178.99 3ibb h ILE 159 N 0.63 1.27 -0.69 3.13 2.04 -1.02 -3.10 117.51 119.76 3ibb h ILE 159 Ca 0.17 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 3ibb h ILE 159 Cb -0.07 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3ibb h ILE 159 CO -0.04 0.44 0.30 -0.26 0.00 0.00 0.00 178.15 178.59 3ibb h PHE 160 N 0.90 1.02 -0.60 1.37 0.04 -1.00 0.10 116.94 118.76 3ibb h PHE 160 Ca 0.14 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 3ibb h PHE 160 Cb 0.67 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3ibb h PHE 160 CO 0.04 0.78 0.01 -0.09 -0.60 0.00 0.00 178.31 178.45 3ibb h ARG 161 N 0.97 1.04 -0.95 1.51 2.43 -1.55 -1.18 114.38 116.65 3ibb h ARG 161 Ca 0.23 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3ibb h ARG 161 Cb 0.17 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3ibb h ARG 161 CO -0.02 1.01 0.58 0.00 -1.51 0.00 0.00 179.97 180.03 3ibb h ARG 162 N 0.96 1.29 -0.54 0.20 2.47 -1.34 0.53 114.38 117.94 3ibb h ARG 162 Ca 0.17 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 3ibb h ARG 162 Cb 0.54 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3ibb h ARG 162 CO 0.03 0.89 0.18 -0.91 0.56 0.00 0.00 179.97 180.72 3ibb h ASN 163 N 1.31 0.78 -0.41 7.04 2.35 -0.87 -2.58 115.58 123.20 3ibb h ASN 163 Ca 0.34 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3ibb h ASN 163 Cb -0.07 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3ibb h ASN 163 CO -0.07 0.77 0.12 0.74 -1.65 0.00 0.00 177.43 177.35 3ibb h THR 164 N 0.74 1.22 0.12 2.81 2.02 0.11 0.34 112.91 120.28 3ibb h THR 164 Ca 0.17 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3ibb h THR 164 Cb 0.27 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3ibb h THR 164 CO -0.01 0.26 -0.06 0.45 0.37 0.00 0.00 175.52 176.53 3ibb h HIS 165 N 0.53 -0.15 -0.29 3.16 3.86 -0.09 -3.26 115.15 118.90 3ibb h HIS 165 Ca 0.13 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 3ibb h HIS 165 Cb 0.27 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3ibb h HIS 165 CO 0.01 0.06 -0.17 0.00 0.86 0.00 0.00 177.93 178.70 3ibb h ALA 166 N 0.50 1.18 -2.17 2.45 0.00 -1.48 -3.45 119.26 116.28 3ibb h ALA 166 Ca -0.02 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 3ibb h ALA 166 Cb 0.28 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ibb h ALA 166 CO 0.03 0.52 0.67 0.45 0.00 0.00 0.00 179.25 180.93 3ibb n SER 167 N -4.17 2.71 0.00 0.00 2.88 0.12 0.44 113.62 115.60 3ibb n SER 167 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3ibb n SER 167 Cb 0.35 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3ibb n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ibb n GLY 168 N 2.89 0.60 0.31 0.46 0.00 -1.26 -4.86 105.19 103.33 3ibb n GLY 168 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3ibb n GLY 168 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ibb n VAL 169 N -2.50 1.19 -4.82 1.61 0.31 0.17 -4.76 118.33 109.53 3ibb n VAL 169 Ca 0.00 -0.32 -0.27 0.00 -0.01 0.00 0.00 64.34 63.74 3ibb n VAL 169 Cb 0.04 -1.74 -0.17 0.00 -0.91 0.00 0.00 33.84 31.07 3ibb n VAL 169 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3ibb s ILE 170 N -2.40 1.46 0.26 2.52 -4.36 -1.17 -1.17 121.20 116.34 3ibb s ILE 170 Ca -0.30 -0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 59.10 3ibb s ILE 170 Cb 0.11 -1.28 -0.11 0.00 1.25 0.00 0.00 42.46 42.43 3ibb s ILE 170 CO 0.39 0.42 1.55 -2.84 0.24 0.00 0.00 174.94 174.70 3ibb s PRO 171 N 0.42 4.18 -0.13 0.37 0.02 -1.26 -4.75 135.00 133.85 3ibb s PRO 171 Ca -0.13 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 3ibb s PRO 171 Cb -0.15 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 3ibb s PRO 171 CO 0.05 -0.57 -0.10 -0.65 -0.33 0.00 0.00 177.00 175.40 3ibb s GLN 172 N -0.12 3.42 -0.06 5.54 -0.21 -1.26 -1.96 119.66 125.00 3ibb s GLN 172 Ca 0.64 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 55.43 3ibb s GLN 172 Cb -0.45 -2.70 -0.00 0.00 1.00 0.00 0.00 33.01 30.85 3ibb s GLN 172 CO 0.43 0.26 -0.19 0.42 -2.12 0.00 0.00 175.29 174.08 3ibb s ILE 173 N 0.26 1.63 -0.16 1.08 1.01 0.79 -2.07 121.20 123.74 3ibb s ILE 173 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3ibb s ILE 173 Cb -0.15 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3ibb s ILE 173 CO 0.05 0.46 -0.12 -0.44 0.00 0.00 0.00 174.94 174.89 3ibb s SER 174 N 0.08 3.94 -0.18 3.58 0.01 0.10 -1.35 113.70 119.88 3ibb s SER 174 Ca -0.07 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 3ibb s SER 174 Cb -0.13 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 3ibb s SER 174 CO 0.03 0.09 -0.04 -0.22 0.41 0.00 0.00 173.24 173.51 3ibb s LEU 175 N 0.81 3.11 -0.23 2.44 2.96 0.93 -0.99 118.68 127.72 3ibb s LEU 175 Ca -0.04 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3ibb s LEU 175 Cb -0.15 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3ibb s LEU 175 CO 0.01 0.10 0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 3ibb s VAL 176 N 0.74 4.68 -0.01 1.68 1.01 0.06 0.17 120.40 128.73 3ibb s VAL 176 Ca -0.02 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3ibb s VAL 176 Cb -0.15 -3.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.95 3ibb s VAL 176 CO 0.02 0.37 0.17 1.33 0.00 0.00 0.00 175.10 176.99 3ibb n VAL 177 N 4.37 0.02 -3.60 2.92 0.24 -1.01 -3.61 118.33 117.66 3ibb n VAL 177 Ca -0.16 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 3ibb n VAL 177 Cb 0.52 0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.12 3ibb n VAL 177 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ibb s GLY 178 N -2.94 -0.38 0.36 7.63 0.00 -1.23 -3.59 107.32 107.17 3ibb s GLY 178 Ca -0.03 0.53 -0.28 0.00 0.00 0.00 0.00 44.72 44.94 3ibb s GLY 178 CO 0.33 0.24 1.43 -1.05 0.00 0.00 0.00 173.10 174.05 3ibb n PRO 179 N 0.46 2.49 -4.62 2.90 -0.02 -1.26 -4.33 135.00 130.61 3ibb n PRO 179 Ca -0.18 0.88 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 3ibb n PRO 179 Cb 0.60 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 3ibb n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ibb s ALA 181 N 0.24 0.56 0.00 0.00 0.00 -1.26 -2.04 121.76 119.26 3ibb s ALA 181 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3ibb s ALA 181 Cb -0.12 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3ibb s ALA 181 CO 0.02 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3ibb n GLY 182 N 0.26 -0.11 0.28 0.00 0.00 -1.00 -3.53 105.19 101.08 3ibb n GLY 182 Ca -0.15 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 44.99 3ibb n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ibb h GLY 183 N 0.00 0.00 1.41 -0.02 0.00 -1.90 -2.62 103.07 99.95 3ibb h GLY 183 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3ibb h GLY 183 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 176.54 176.76 3ibb h ALA 184 N 1.99 2.13 -0.23 3.60 0.00 -1.93 1.09 119.26 125.91 3ibb h ALA 184 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3ibb h ALA 184 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ibb h ALA 184 CO 0.00 -0.36 0.20 -0.39 0.00 0.00 0.00 179.25 178.70 3ibb h VAL 185 N 0.00 0.66 -0.36 0.00 -1.51 -1.69 0.40 116.25 113.74 3ibb h VAL 185 Ca 0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.56 3ibb h VAL 185 Cb 0.57 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 3ibb h VAL 185 CO -0.00 0.00 0.04 1.88 -1.23 0.00 0.00 177.57 178.26 3ibb h TYR 186 N 0.00 0.56 -0.71 5.19 0.05 0.10 -2.81 116.97 119.35 3ibb h TYR 186 Ca 0.11 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3ibb h TYR 186 Cb 0.51 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 3ibb h TYR 186 CO 0.00 0.52 0.40 1.03 -1.05 0.00 0.00 178.16 179.06 3ibb h SER 187 N 0.53 0.88 -0.38 3.88 0.87 -0.39 0.26 113.55 119.21 3ibb h SER 187 Ca 0.12 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3ibb h SER 187 Cb 0.28 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3ibb h SER 187 CO 0.00 0.71 0.19 -0.65 -0.53 0.00 0.00 176.83 176.56 3ibb h PRO 188 N 0.97 0.58 -0.64 2.24 0.11 -1.63 -2.98 132.00 130.65 3ibb h PRO 188 Ca 0.25 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3ibb h PRO 188 Cb 0.02 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 3ibb h PRO 188 CO -0.04 0.46 0.40 0.00 -0.21 0.00 0.00 178.00 178.61 3ibb h ALA 189 N 1.63 0.81 -0.50 -0.75 0.00 -0.35 0.61 119.26 120.71 3ibb h ALA 189 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 189 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ibb h ALA 189 CO -0.02 0.27 0.14 0.82 0.00 0.00 0.00 179.25 180.46 3ibb h ILE 190 N 0.86 1.21 -4.05 0.00 1.08 -1.31 -3.45 117.51 111.85 3ibb h ILE 190 Ca 0.23 -0.71 -0.54 0.00 -0.39 0.00 0.00 64.86 63.45 3ibb h ILE 190 Cb -0.05 0.67 0.12 0.00 -3.07 0.00 0.00 36.82 34.49 3ibb h ILE 190 CO -0.05 0.27 0.57 -0.89 -0.69 0.00 0.00 178.15 177.36 3ibb s THR 191 N -5.23 2.29 0.27 -0.27 2.01 0.21 -4.90 115.64 110.02 3ibb s THR 191 Ca -0.09 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 3ibb s THR 191 Cb 0.16 -3.11 0.23 0.00 0.01 0.00 0.00 72.50 69.79 3ibb s THR 191 CO 0.78 -0.01 1.91 0.44 -0.69 0.00 0.00 174.62 177.06 3ibb h ASP 192 N 1.46 1.00 -4.55 3.53 3.32 -1.68 -3.43 116.42 116.07 3ibb h ASP 192 Ca -0.51 -0.07 -0.35 0.00 0.02 0.00 0.00 57.03 56.12 3ibb h ASP 192 Cb 1.29 -0.25 -0.21 0.00 0.22 0.00 0.00 39.33 40.38 3ibb h ASP 192 CO 0.57 0.78 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.76 3ibb s PHE 193 N -5.81 1.02 0.04 4.55 0.08 -1.08 -5.06 117.98 111.73 3ibb s PHE 193 Ca -0.12 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.48 3ibb s PHE 193 Cb 0.17 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 3ibb s PHE 193 CO 0.81 0.00 -0.17 0.99 -0.10 0.00 0.00 175.22 176.75 3ibb s THR 194 N -1.51 1.34 -0.03 0.64 2.01 -1.26 -0.72 115.64 116.10 3ibb s THR 194 Ca -0.03 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 60.94 3ibb s THR 194 Cb -0.09 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 3ibb s THR 194 CO 0.01 0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.15 3ibb s VAL 195 N -0.83 1.54 0.08 3.82 1.01 -0.16 -2.13 120.40 123.73 3ibb s VAL 195 Ca 0.04 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3ibb s VAL 195 Cb -0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3ibb s VAL 195 CO 0.01 0.44 -0.16 -0.04 0.00 0.00 0.00 175.10 175.35 3ibb s MET 196 N -0.18 0.93 -0.15 2.72 -1.94 -0.56 -0.76 119.30 119.36 3ibb s MET 196 Ca 0.01 -1.04 -0.01 0.00 -1.71 0.00 0.00 55.69 52.94 3ibb s MET 196 Cb -0.10 -1.02 -0.02 0.00 2.01 0.00 0.00 34.83 35.70 3ibb s MET 196 CO 0.01 0.23 -0.10 0.08 -0.01 0.00 0.00 175.02 175.23 3ibb s VAL 197 N -1.28 3.24 0.23 -6.03 1.01 -1.24 -2.04 120.40 114.28 3ibb s VAL 197 Ca 0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 3ibb s VAL 197 Cb -0.10 -2.39 -0.11 0.00 0.00 0.00 0.00 36.38 33.79 3ibb s VAL 197 CO 0.03 0.51 1.62 -0.62 0.00 0.00 0.00 175.10 176.64 3ibb s ASP 198 N 0.50 6.45 -1.48 3.32 2.15 -1.08 -1.27 116.67 125.26 3ibb s ASP 198 Ca -0.07 2.82 0.00 0.00 0.43 0.00 0.00 52.55 55.72 3ibb s ASP 198 Cb -0.15 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3ibb s ASP 198 CO 0.04 -0.90 0.00 1.67 -0.17 0.00 0.00 175.17 175.81 3ibb n GLN 199 N 3.28 -1.75 0.00 4.34 7.27 -1.26 -4.56 117.38 124.70 3ibb n GLN 199 Ca 0.12 0.83 0.00 0.00 0.07 0.00 0.00 57.00 58.02 3ibb n GLN 199 Cb 0.37 -5.32 0.00 0.00 2.41 0.00 0.00 30.24 27.70 3ibb n GLN 199 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3ibb n THR 200 N -3.01 0.00 -2.19 1.69 -1.04 -0.48 -5.10 114.28 104.15 3ibb n THR 200 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 3ibb n THR 200 Cb 0.59 -0.95 0.01 0.00 -1.82 0.00 0.00 70.33 68.16 3ibb n THR 200 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ibb s SER 201 N -4.60 5.68 0.04 8.00 1.04 -0.40 -4.43 113.70 119.03 3ibb s SER 201 Ca 0.00 2.10 -0.03 0.00 0.48 0.00 0.00 55.95 58.50 3ibb s SER 201 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 3ibb s SER 201 CO 0.00 -1.24 0.03 -1.00 0.98 0.00 0.00 173.24 172.01 3ibb s HIS 202 N -1.92 0.30 0.01 5.02 3.76 -1.26 -4.09 115.29 117.10 3ibb s HIS 202 Ca 0.71 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 3ibb s HIS 202 Cb -0.22 -0.22 -0.01 0.00 1.11 0.00 0.00 32.58 33.24 3ibb s HIS 202 CO 0.29 -0.33 -0.05 -1.64 -0.85 0.00 0.00 174.74 172.17 3ibb s MET 203 N -2.67 0.36 -0.27 1.40 -1.94 0.15 -2.07 119.30 114.26 3ibb s MET 203 Ca -0.05 -0.33 -0.25 0.00 -1.71 0.00 0.00 55.69 53.36 3ibb s MET 203 Cb -0.01 -0.26 0.08 0.00 2.01 0.00 0.00 34.83 36.65 3ibb s MET 203 CO -0.05 0.06 0.80 -0.59 -0.01 0.00 0.00 175.02 175.23 3ibb s PHE 204 N -0.53 -0.72 0.15 -0.03 -0.12 -0.86 -3.94 117.98 111.94 3ibb s PHE 204 Ca -0.03 1.74 -0.11 0.00 -0.05 0.00 0.00 56.93 58.48 3ibb s PHE 204 Cb -0.04 0.30 -0.00 0.00 -0.63 0.00 0.00 43.02 42.65 3ibb s PHE 204 CO -0.00 -0.35 1.54 0.97 -0.05 0.00 0.00 175.22 177.34 3ibb h ILE 205 N 3.93 1.27 -3.78 -4.49 6.09 -1.88 -2.65 117.51 116.01 3ibb h ILE 205 Ca -0.29 -1.34 -0.12 0.00 -1.37 0.00 0.00 64.86 61.75 3ibb h ILE 205 Cb 1.17 1.14 -0.17 0.00 0.47 0.00 0.00 36.82 39.43 3ibb h ILE 205 CO 0.07 0.46 -0.48 -0.89 -3.07 0.00 0.00 178.15 174.24 3ibb s THR 206 N -4.70 0.13 0.66 2.19 2.01 -1.26 -3.03 115.64 111.65 3ibb s THR 206 Ca -0.12 -1.11 -0.11 0.00 0.31 0.00 0.00 61.69 60.66 3ibb s THR 206 Cb 0.12 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 3ibb s THR 206 CO 0.86 -0.61 1.05 -0.83 -0.69 0.00 0.00 174.62 174.40 3ibb s GLY 207 N -2.29 1.66 0.24 4.40 0.00 -1.26 -4.99 107.32 105.08 3ibb s GLY 207 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 3ibb s GLY 207 CO -0.06 0.22 1.77 -2.55 0.00 0.00 0.00 173.10 172.48 3ibb h PRO 208 N -0.51 1.00 -0.93 2.90 0.11 -1.93 -3.08 132.00 129.56 3ibb h PRO 208 Ca -0.44 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.44 3ibb h PRO 208 Cb 1.21 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3ibb h PRO 208 CO 0.61 0.88 0.55 0.38 -0.21 0.00 0.00 178.00 180.21 3ibb h ASP 209 N 0.96 1.12 -0.23 -2.05 3.04 -1.95 -3.07 116.42 114.23 3ibb h ASP 209 Ca 0.21 -0.07 -0.06 0.00 -3.24 0.00 0.00 57.03 53.87 3ibb h ASP 209 Cb 0.33 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.33 3ibb h ASP 209 CO -0.00 0.86 -0.07 0.58 -2.04 0.00 0.00 179.24 178.57 3ibb h VAL 210 N 1.28 1.29 -0.72 4.15 2.07 -1.96 -2.91 116.25 119.45 3ibb h VAL 210 Ca 0.33 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3ibb h VAL 210 Cb -0.04 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3ibb h VAL 210 CO -0.06 0.34 0.47 0.16 0.02 0.00 0.00 177.57 178.50 3ibb h ILE 211 N 0.19 1.15 -0.35 4.57 -0.00 -1.54 0.55 117.51 122.09 3ibb h ILE 211 Ca 0.06 -0.32 -0.03 0.00 -0.00 0.00 0.00 64.86 64.57 3ibb h ILE 211 Cb 0.55 0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.49 3ibb h ILE 211 CO 0.03 0.17 0.10 0.50 -0.00 0.00 0.00 178.15 178.94 3ibb h LYS 212 N 0.93 0.55 -0.19 0.16 3.11 -1.54 3.64 116.57 123.24 3ibb h LYS 212 Ca 0.27 -0.12 -0.05 0.00 -2.81 0.00 0.00 60.65 57.93 3ibb h LYS 212 Cb -0.05 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.10 3ibb h LYS 212 CO -0.07 0.59 -0.09 1.79 -2.81 0.00 0.00 179.45 178.86 3ibb h THR 213 N 0.41 1.31 -0.44 1.00 1.35 -1.28 -3.02 112.91 112.23 3ibb h THR 213 Ca 0.11 -1.14 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 3ibb h THR 213 Cb 0.28 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 3ibb h THR 213 CO -0.00 0.34 0.04 0.58 -0.25 0.00 0.00 175.52 176.24 3ibb h VAL 214 N 0.09 1.25 0.00 6.82 2.07 0.44 -3.40 116.25 123.52 3ibb h VAL 214 Ca 0.04 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 3ibb h VAL 214 Cb 0.57 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3ibb h VAL 214 CO 0.03 0.33 -1.33 0.35 0.02 0.00 0.00 177.57 176.97 3ibb n THR 215 N -4.44 0.33 0.00 2.57 -2.24 1.20 -5.02 114.28 106.68 3ibb n THR 215 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3ibb n THR 215 Cb 0.27 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 3ibb n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibb n GLY 216 N 2.76 0.68 3.37 3.38 0.00 -0.99 -5.01 105.19 109.37 3ibb n GLY 216 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3ibb n GLY 216 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ibb s GLU 217 N -0.94 2.87 0.29 1.61 -1.05 -1.26 -4.99 118.70 115.23 3ibb s GLU 217 Ca 0.00 -1.27 -0.29 0.00 -0.15 0.00 0.00 54.97 53.26 3ibb s GLU 217 Cb 0.00 -3.96 -0.10 0.00 -0.44 0.00 0.00 34.13 29.63 3ibb s GLU 217 CO 0.00 -0.91 1.37 0.34 0.95 0.00 0.00 175.26 177.01 3ibb s ASP 218 N 2.15 6.70 0.03 0.83 -1.08 -1.26 -3.93 116.67 120.11 3ibb s ASP 218 Ca 0.04 2.69 -0.09 0.00 -0.52 0.00 0.00 52.55 54.67 3ibb s ASP 218 Cb -0.22 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.60 3ibb s ASP 218 CO 0.06 -0.62 0.17 -0.69 0.52 0.00 0.00 175.17 174.61 3ibb s VAL 219 N -0.61 0.10 0.60 1.11 1.01 -1.26 -5.07 120.40 116.28 3ibb s VAL 219 Ca 0.54 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3ibb s VAL 219 Cb -0.41 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3ibb s VAL 219 CO 0.49 -0.46 0.93 -0.83 0.00 0.00 0.00 175.10 175.23 3ibb s GLY 220 N -1.85 1.60 0.08 4.51 0.00 -1.26 -4.86 107.32 105.54 3ibb s GLY 220 Ca -0.08 -0.57 -0.19 0.00 0.00 0.00 0.00 44.72 43.88 3ibb s GLY 220 CO -0.02 -0.29 1.51 0.74 0.00 0.00 0.00 173.10 175.05 3ibb h PHE 221 N -0.22 0.46 -0.41 1.90 0.04 -2.00 0.39 116.94 117.10 3ibb h PHE 221 Ca -0.45 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.21 3ibb h PHE 221 Cb 1.24 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 3ibb h PHE 221 CO 0.50 0.60 0.15 1.49 -0.60 0.00 0.00 178.31 180.46 3ibb h GLU 222 N 0.19 0.63 -0.76 1.51 4.57 -1.96 -2.91 114.58 115.84 3ibb h GLU 222 Ca 0.07 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3ibb h GLU 222 Cb 0.42 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3ibb h GLU 222 CO 0.01 0.60 0.30 1.49 -1.18 0.00 0.00 179.01 180.24 3ibb h GLU 223 N 0.52 1.15 0.33 1.92 4.81 -1.94 -1.93 114.58 119.43 3ibb h GLU 223 Ca 0.13 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ibb h GLU 223 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3ibb h GLU 223 CO -0.01 0.94 -0.16 1.25 -0.73 0.00 0.00 179.01 180.30 3ibb h LEU 224 N 1.11 -0.37 -5.00 1.64 5.85 -0.26 -3.44 115.31 114.85 3ibb h LEU 224 Ca 0.25 -0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 3ibb h LEU 224 Cb 0.22 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.21 3ibb h LEU 224 CO -0.02 -0.03 -0.44 0.61 -0.34 0.00 0.00 178.44 178.22 3ibb n GLY 225 N -0.43 0.08 3.94 3.75 0.00 -1.10 -5.01 105.19 106.42 3ibb n GLY 225 Ca -0.10 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3ibb n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ibb s GLY 226 N -1.46 1.73 0.21 -0.02 0.00 -0.73 0.32 107.32 107.37 3ibb s GLY 226 Ca 0.28 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.77 3ibb s GLY 226 CO -0.18 -0.53 1.85 0.00 0.00 0.00 0.00 173.10 174.24 3ibb h ALA 227 N -1.15 1.00 -0.69 3.20 0.00 -1.86 0.65 119.26 120.41 3ibb h ALA 227 Ca -0.43 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3ibb h ALA 227 Cb 1.27 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3ibb h ALA 227 CO 0.48 0.48 0.25 -0.09 0.00 0.00 0.00 179.25 180.37 3ibb h ARG 228 N 1.08 1.05 -0.53 0.00 2.43 -1.95 -2.64 114.38 113.82 3ibb h ARG 228 Ca 0.28 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3ibb h ARG 228 Cb -0.01 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3ibb h ARG 228 CO -0.05 0.89 0.07 1.15 -1.51 0.00 0.00 179.97 180.51 3ibb h THR 229 N 0.99 1.26 -0.51 0.20 2.02 -1.16 -1.78 112.91 113.93 3ibb h THR 229 Ca 0.23 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3ibb h THR 229 Cb 0.25 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3ibb h THR 229 CO -0.01 0.36 0.29 0.45 0.37 0.00 0.00 175.52 176.97 3ibb h HIS 230 N 0.78 0.70 -0.72 3.16 3.86 -1.52 0.41 115.15 121.81 3ibb h HIS 230 Ca 0.16 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3ibb h HIS 230 Cb 0.44 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3ibb h HIS 230 CO 0.03 0.51 0.31 -0.97 0.86 0.00 0.00 177.93 178.67 3ibb h ASN 231 N 0.69 0.99 0.01 2.45 -1.24 -1.08 -2.25 115.58 115.14 3ibb h ASN 231 Ca 0.18 -0.16 -0.42 0.00 0.71 0.00 0.00 56.30 56.61 3ibb h ASN 231 Cb 0.04 -0.25 -0.06 0.00 0.73 0.00 0.00 38.32 38.77 3ibb h ASN 231 CO -0.03 0.88 -2.37 -1.54 -1.29 0.00 0.00 177.43 173.07 3ibb n SER 232 N -4.37 1.97 -0.12 1.15 3.41 -0.71 -3.11 113.62 111.84 3ibb n SER 232 Ca 0.06 0.20 -0.24 0.00 -0.26 0.00 0.00 58.87 58.63 3ibb n SER 232 Cb 0.17 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.29 3ibb n SER 232 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ibb n THR 233 N -3.93 1.53 -0.27 6.66 -1.04 0.14 -4.05 114.28 113.32 3ibb n THR 233 Ca -0.49 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.05 61.00 3ibb n THR 233 Cb 0.91 -1.70 0.06 0.00 -1.82 0.00 0.00 70.33 67.78 3ibb n THR 233 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3ibb h SER 234 N -0.52 1.09 -4.93 8.00 4.64 -1.55 -3.48 113.55 116.80 3ibb h SER 234 Ca -0.61 -0.20 -0.39 0.00 -0.47 0.00 0.00 61.79 60.12 3ibb h SER 234 Cb 1.74 -0.29 0.09 0.00 -0.31 0.00 0.00 62.40 63.64 3ibb h SER 234 CO -0.24 1.01 -0.62 0.61 -0.87 0.00 0.00 176.83 176.72 3ibb n GLY 235 N -0.77 -0.49 0.00 -0.77 0.00 -0.85 -4.97 105.19 97.35 3ibb n GLY 235 Ca 0.06 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.31 3ibb n GLY 235 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ibb n VAL 236 N -4.69 0.00 -3.79 1.61 0.24 -1.21 -4.97 118.33 105.53 3ibb n VAL 236 Ca -0.06 -0.28 -0.36 0.00 -2.04 0.00 0.00 64.34 61.60 3ibb n VAL 236 Cb 0.59 0.44 -0.13 0.00 -1.47 0.00 0.00 33.84 33.27 3ibb n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibb s ALA 237 N -2.82 3.04 0.06 2.33 0.00 -1.24 -4.70 121.76 118.44 3ibb s ALA 237 Ca -0.02 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 3ibb s ALA 237 Cb 0.10 -2.02 -0.12 0.00 0.00 0.00 0.00 23.12 21.08 3ibb s ALA 237 CO 0.61 -0.65 1.46 0.45 0.00 0.00 0.00 175.76 177.63 3ibb h HIS 238 N 8.21 0.38 -3.97 0.00 3.86 -1.79 -3.39 115.15 118.45 3ibb h HIS 238 Ca -0.36 -0.08 -0.24 0.00 -1.16 0.00 0.00 60.37 58.53 3ibb h HIS 238 Cb 1.15 -0.09 -0.21 0.00 1.06 0.00 0.00 27.41 29.32 3ibb h HIS 238 CO 0.63 0.59 -0.72 -1.58 0.86 0.00 0.00 177.93 177.71 3ibb s HIS 239 N -4.79 0.53 -0.11 2.45 5.65 -1.06 -1.57 115.29 116.39 3ibb s HIS 239 Ca -0.14 -0.51 -0.04 0.00 0.25 0.00 0.00 55.06 54.62 3ibb s HIS 239 Cb 0.06 -0.33 -0.03 0.00 -1.18 0.00 0.00 32.58 31.10 3ibb s HIS 239 CO 0.73 -0.12 0.03 1.41 -0.65 0.00 0.00 174.74 176.14 3ibb s MET 240 N -1.55 3.27 0.05 2.88 1.75 -1.26 -1.49 119.30 122.93 3ibb s MET 240 Ca -0.12 -0.37 0.08 0.00 -1.25 0.00 0.00 55.69 54.03 3ibb s MET 240 Cb -0.10 -2.92 -0.03 0.00 2.84 0.00 0.00 34.83 34.62 3ibb s MET 240 CO -0.00 0.60 -0.20 0.00 -0.65 0.00 0.00 175.02 174.77 3ibb s ALA 241 N -0.59 2.54 0.09 4.11 0.00 -0.87 -4.99 121.76 122.06 3ibb s ALA 241 Ca 0.10 -1.22 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 3ibb s ALA 241 Cb -0.12 -0.68 -0.13 0.00 0.00 0.00 0.00 23.12 22.18 3ibb s ALA 241 CO 0.02 0.57 1.73 0.78 0.00 0.00 0.00 175.76 178.86 3ibb h GLY 242 N 4.51 -0.02 -2.94 0.00 0.00 -1.92 -2.85 103.07 99.86 3ibb h GLY 242 Ca -0.48 0.03 0.04 0.00 0.00 0.00 0.00 47.33 46.92 3ibb h GLY 242 CO 0.47 -0.03 0.31 0.51 0.00 0.00 0.00 176.54 177.80 3ibb s ASP 243 N -5.16 -0.45 0.40 0.19 1.47 -1.26 -4.64 116.67 107.21 3ibb s ASP 243 Ca -0.13 -0.10 0.06 0.00 1.18 0.00 0.00 52.55 53.56 3ibb s ASP 243 Cb 0.06 0.55 0.82 0.00 -0.34 0.00 0.00 42.92 44.01 3ibb s ASP 243 CO 0.66 -0.92 2.05 -0.33 0.68 0.00 0.00 175.17 177.31 3ibb h GLU 244 N 2.00 0.60 -0.98 2.11 5.08 -1.89 1.82 114.58 123.32 3ibb h GLU 244 Ca -0.28 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3ibb h GLU 244 Cb 1.28 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3ibb h GLU 244 CO 0.34 0.40 0.64 0.87 -1.00 0.00 0.00 179.01 180.25 3ibb h LYS 245 N 0.62 1.29 -0.33 2.33 1.57 -1.96 -0.86 116.57 119.22 3ibb h LYS 245 Ca 0.17 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3ibb h LYS 245 Cb -0.05 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.96 3ibb h LYS 245 CO -0.04 0.86 0.03 -0.44 -0.57 0.00 0.00 179.45 179.29 3ibb h ASP 246 N 1.33 0.55 -0.78 0.86 3.32 0.24 -3.18 116.42 118.76 3ibb h ASP 246 Ca 0.36 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3ibb h ASP 246 Cb -0.14 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 3ibb h ASP 246 CO -0.07 0.70 0.37 0.00 -1.72 0.00 0.00 179.24 178.51 3ibb h ALA 247 N 0.87 1.00 -0.92 3.45 0.00 -0.54 0.67 119.26 123.79 3ibb h ALA 247 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ibb h ALA 247 Cb 0.40 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ibb h ALA 247 CO 0.01 0.57 0.53 0.28 0.00 0.00 0.00 179.25 180.64 3ibb h VAL 248 N 1.10 1.26 -0.78 0.00 2.07 -1.40 -0.16 116.25 118.33 3ibb h VAL 248 Ca 0.27 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3ibb h VAL 248 Cb 0.13 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 3ibb h VAL 248 CO -0.03 0.28 0.37 -0.08 0.02 0.00 0.00 177.57 178.13 3ibb h GLU 249 N 1.28 1.13 -0.70 1.57 4.57 -0.88 0.11 114.58 121.66 3ibb h GLU 249 Ca 0.33 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3ibb h GLU 249 Cb -0.01 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 3ibb h GLU 249 CO -0.06 0.88 0.31 -0.92 -1.18 0.00 0.00 179.01 178.04 3ibb h TYR 250 N 1.11 1.02 -0.61 0.92 3.20 -0.65 -0.17 116.97 121.79 3ibb h TYR 250 Ca 0.27 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3ibb h TYR 250 Cb 0.13 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3ibb h TYR 250 CO 0.01 0.76 0.27 0.28 -1.64 0.00 0.00 178.16 177.84 3ibb h VAL 251 N 1.00 1.22 -0.34 1.81 2.07 0.81 -1.13 116.25 121.69 3ibb h VAL 251 Ca 0.24 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3ibb h VAL 251 Cb 0.15 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3ibb h VAL 251 CO -0.03 0.26 0.10 0.11 0.02 0.00 0.00 177.57 178.04 3ibb h LYS 252 N 0.84 0.53 -0.54 1.57 1.57 -0.40 -2.53 116.57 117.61 3ibb h LYS 252 Ca 0.21 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3ibb h LYS 252 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3ibb h LYS 252 CO -0.02 0.57 0.12 1.96 -0.57 0.00 0.00 179.45 181.50 3ibb h GLN 253 N 0.39 0.88 -0.36 3.15 1.08 -0.92 -3.10 115.11 116.22 3ibb h GLN 253 Ca 0.11 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 3ibb h GLN 253 Cb 0.26 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3ibb h GLN 253 CO -0.00 0.83 0.01 1.25 -0.95 0.00 0.00 178.83 179.97 3ibb h LEU 254 N 0.77 0.51 -1.09 1.46 5.85 -1.28 -2.71 115.31 118.83 3ibb h LEU 254 Ca 0.17 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3ibb h LEU 254 Cb 0.36 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3ibb h LEU 254 CO 0.00 0.58 0.58 -0.07 -0.34 0.00 0.00 178.44 179.19 3ibb h LEU 255 N 0.53 1.05 -1.61 2.25 3.38 -1.38 -2.85 115.31 116.69 3ibb h LEU 255 Ca 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ibb h LEU 255 Cb 0.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ibb h LEU 255 CO 0.01 0.77 -0.02 0.28 0.09 0.00 0.00 178.44 179.57 3ibb h SER 256 N 1.23 0.20 0.15 -0.43 0.02 -1.44 -1.06 113.55 112.22 3ibb h SER 256 Ca 0.33 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3ibb h SER 256 Cb -0.12 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3ibb h SER 256 CO -0.07 0.26 -0.07 1.88 -1.14 0.00 0.00 176.83 177.69 3ibb h TYR 257 N 0.22 -0.18 -4.27 3.45 0.05 -1.59 -3.43 116.97 111.23 3ibb h TYR 257 Ca 0.05 -0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.34 3ibb h TYR 257 Cb 0.18 0.06 0.05 0.00 1.01 0.00 0.00 36.73 38.03 3ibb h TYR 257 CO 0.00 -0.06 0.39 -0.51 -1.05 0.00 0.00 178.16 176.93 3ibb s LEU 258 N -10.04 3.41 0.57 3.88 1.02 -0.40 -4.59 118.68 112.53 3ibb s LEU 258 Ca -0.14 1.58 -0.14 0.00 0.02 0.00 0.00 54.13 55.45 3ibb s LEU 258 Cb 0.05 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.70 3ibb s LEU 258 CO 0.65 -0.91 1.01 -2.16 0.02 0.00 0.00 176.35 174.96 3ibb s PRO 259 N -4.55 3.68 0.24 1.29 0.04 -1.26 -4.63 135.00 129.82 3ibb s PRO 259 Ca 0.58 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 3ibb s PRO 259 Cb -0.12 -2.09 0.24 0.00 0.04 0.00 0.00 34.50 32.57 3ibb s PRO 259 CO 0.43 -0.50 1.91 0.77 0.04 0.00 0.00 177.00 179.65 3ibb h SER 260 N 0.30 1.07 -5.01 6.66 0.02 -1.87 -3.42 113.55 111.30 3ibb h SER 260 Ca -0.46 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3ibb h SER 260 Cb 1.19 -0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.36 3ibb h SER 260 CO 0.61 0.77 0.19 0.54 -1.14 0.00 0.00 176.83 177.80 3ibb s ASN 261 N -6.04 -0.47 -0.76 3.07 2.20 -1.25 -3.47 114.94 108.21 3ibb s ASN 261 Ca -0.13 -0.17 -0.07 0.00 -0.94 0.00 0.00 52.86 51.55 3ibb s ASN 261 Cb 0.17 0.62 -0.14 0.00 -2.00 0.00 0.00 41.25 39.91 3ibb s ASN 261 CO 0.81 -1.05 3.19 -0.46 -2.94 0.00 0.00 177.10 176.66 3ibb n ASN 262 N -0.39 6.91 0.00 3.54 6.94 -0.32 -2.68 115.26 129.27 3ibb n ASN 262 Ca -0.14 -2.64 0.00 0.00 -0.02 0.00 0.00 54.58 51.78 3ibb n ASN 262 Cb 0.64 -1.45 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 3ibb n ASN 262 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3ibb n LEU 263 N 2.67 0.02 -4.78 -4.53 7.99 -1.26 -5.05 117.00 112.05 3ibb n LEU 263 Ca 0.59 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 56.23 3ibb n LEU 263 Cb 0.57 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.86 3ibb n LEU 263 CO 0.46 -0.18 0.77 -0.94 -1.51 0.00 0.00 177.39 175.99 3ibb s SER 264 N -4.99 6.18 0.69 -1.43 1.04 -1.09 -5.09 113.70 109.00 3ibb s SER 264 Ca 0.00 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.43 3ibb s SER 264 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3ibb s SER 264 CO 0.00 -0.90 1.06 -1.83 0.98 0.00 0.00 173.24 172.55 3ibb s GLU 265 N -3.00 3.02 0.31 4.02 -1.05 -1.26 -4.74 118.70 115.99 3ibb s GLU 265 Ca 0.67 0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 55.94 3ibb s GLU 265 Cb -0.22 -2.02 -0.11 0.00 -0.44 0.00 0.00 34.13 31.34 3ibb s GLU 265 CO 0.27 -0.99 1.50 -1.25 0.95 0.00 0.00 175.26 175.74 3ibb s PRO 266 N -5.17 4.18 0.13 -4.83 0.04 -1.26 -4.73 135.00 123.36 3ibb s PRO 266 Ca 0.57 2.48 -0.31 0.00 0.04 0.00 0.00 61.00 63.78 3ibb s PRO 266 Cb -0.12 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 3ibb s PRO 266 CO 0.54 -0.51 1.75 -1.25 0.04 0.00 0.00 177.00 177.56 3ibb s PRO 267 N -1.00 4.16 -0.11 0.56 0.04 -1.26 -4.70 135.00 132.68 3ibb s PRO 267 Ca 0.58 2.52 0.03 0.00 0.04 0.00 0.00 61.00 64.17 3ibb s PRO 267 Cb -0.45 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.64 3ibb s PRO 267 CO 0.51 -0.78 -0.21 0.00 0.04 0.00 0.00 177.00 176.56 3ibb s ALA 268 N 2.28 2.02 -0.43 8.56 0.00 -1.26 -4.44 121.76 128.49 3ibb s ALA 268 Ca 0.77 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 3ibb s ALA 268 Cb -0.45 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 21.86 3ibb s ALA 268 CO 0.34 0.13 0.52 -0.06 0.00 0.00 0.00 175.76 176.70 3ibb s PHE 269 N 0.59 3.13 0.06 0.00 0.08 -1.04 -4.86 117.98 115.93 3ibb s PHE 269 Ca -0.14 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.37 3ibb s PHE 269 Cb -0.17 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.15 3ibb s PHE 269 CO 0.04 -0.76 1.22 -1.25 -0.10 0.00 0.00 175.22 174.37 3ibb s PRO 270 N 2.41 4.41 -0.04 0.24 0.04 -1.26 -4.11 135.00 136.68 3ibb s PRO 270 Ca 0.16 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3ibb s PRO 270 Cb -0.16 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.03 3ibb s PRO 270 CO 0.16 -0.30 -0.11 -1.83 0.04 0.00 0.00 177.00 174.96 3ibb s GLU 271 N 1.20 1.33 0.33 4.56 -1.05 -1.19 -4.94 118.70 118.93 3ibb s GLU 271 Ca 0.59 -0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.76 3ibb s GLU 271 Cb -0.30 -1.17 -0.10 0.00 -0.44 0.00 0.00 34.13 32.12 3ibb s GLU 271 CO 0.29 0.08 1.39 -2.00 0.95 0.00 0.00 175.26 175.97 3ibb s GLU 272 N 0.41 4.27 0.45 -4.83 2.12 -1.26 -4.33 118.70 115.52 3ibb s GLU 272 Ca -0.08 2.34 -0.16 0.00 0.36 0.00 0.00 54.97 57.43 3ibb s GLU 272 Cb -0.12 -3.05 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 3ibb s GLU 272 CO 0.02 -0.34 0.91 0.00 -0.54 0.00 0.00 175.26 175.31 3ibb s ALA 273 N -0.89 3.14 -0.33 6.30 0.00 -1.26 -4.99 121.76 123.73 3ibb s ALA 273 Ca 0.52 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.54 3ibb s ALA 273 Cb -0.42 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3ibb s ALA 273 CO 0.54 -0.04 0.14 0.34 0.00 0.00 0.00 175.76 176.74 3ibb s ASP 274 N -2.77 5.46 0.26 0.00 -1.08 -1.26 -4.96 116.67 112.31 3ibb s ASP 274 Ca 0.58 -0.81 -0.04 0.00 -0.52 0.00 0.00 52.55 51.76 3ibb s ASP 274 Cb -0.10 -1.96 0.32 0.00 -1.46 0.00 0.00 42.92 39.73 3ibb s ASP 274 CO 0.25 -0.27 1.84 -0.07 0.52 0.00 0.00 175.17 177.44 3ibb h LEU 275 N 8.33 0.93 -9.49 -1.34 3.38 -2.01 -3.46 115.31 111.66 3ibb h LEU 275 Ca -0.29 -0.13 -0.59 0.00 0.09 0.00 0.00 57.88 56.97 3ibb h LEU 275 Cb 1.12 -0.24 0.05 0.00 0.09 0.00 0.00 40.66 41.68 3ibb h LEU 275 CO 0.63 0.82 0.81 0.00 0.09 0.00 0.00 178.44 180.79 3ibb n ALA 276 N -2.44 1.29 -1.81 1.53 0.00 -1.26 -4.59 120.51 113.23 3ibb n ALA 276 Ca 0.06 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.53 3ibb n ALA 276 Cb 0.17 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 3ibb n ALA 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ibb s VAL 277 N 1.11 2.32 0.42 0.00 -7.23 -1.26 -4.95 120.40 110.81 3ibb s VAL 277 Ca 0.80 0.28 0.08 0.00 -1.81 0.00 0.00 61.98 61.32 3ibb s VAL 277 Cb -0.68 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 3ibb s VAL 277 CO 0.39 0.05 0.41 0.42 -0.31 0.00 0.00 175.10 176.06 3ibb s THR 278 N -0.14 2.67 0.34 5.32 -4.23 -1.26 -4.97 115.64 113.36 3ibb s THR 278 Ca 0.60 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3ibb s THR 278 Cb -0.45 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 70.71 3ibb s THR 278 CO 0.48 0.00 1.97 0.44 -0.54 0.00 0.00 174.62 176.97 3ibb h ASP 279 N 0.95 0.76 -0.23 3.99 3.32 -2.01 -0.77 116.42 122.44 3ibb h ASP 279 Ca -0.41 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 3ibb h ASP 279 Cb 1.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3ibb h ASP 279 CO 0.55 0.52 0.04 -0.33 -1.72 0.00 0.00 179.24 178.31 3ibb h GLU 280 N 0.88 0.47 -0.59 3.56 3.07 -1.99 -0.74 114.58 119.24 3ibb h GLU 280 Ca 0.30 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3ibb h GLU 280 Cb 0.07 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3ibb h GLU 280 CO -0.09 0.46 0.38 -0.44 -1.40 0.00 0.00 179.01 177.93 3ibb h ASP 281 N 0.46 0.69 0.08 1.42 3.32 -1.48 -1.67 116.42 119.24 3ibb h ASP 281 Ca 0.11 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3ibb h ASP 281 Cb 0.23 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ibb h ASP 281 CO 0.00 0.51 -0.07 0.00 -1.72 0.00 0.00 179.24 177.96 3ibb h ALA 282 N 1.21 1.82 -0.21 3.45 0.00 -1.06 -0.57 119.26 123.90 3ibb h ALA 282 Ca 0.22 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ibb h ALA 282 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 282 CO -0.05 0.09 0.24 0.93 0.00 0.00 0.00 179.25 180.47 3ibb h GLU 283 N 0.00 0.00 -0.58 0.00 5.08 -1.21 3.29 114.58 121.16 3ibb h GLU 283 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ibb h GLU 283 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ibb h GLU 283 CO 0.01 0.00 0.34 -0.07 -1.00 0.00 0.00 179.01 178.29 3ibb h LEU 284 N 0.00 0.68 -1.95 1.33 4.07 -1.25 0.34 115.31 118.53 3ibb h LEU 284 Ca 0.10 -0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.08 3ibb h LEU 284 Cb 0.59 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3ibb h LEU 284 CO -0.00 0.53 0.15 0.44 -1.08 0.00 0.00 178.44 178.48 3ibb h ASP 285 N 0.79 0.06 -0.06 -0.43 3.32 0.59 -1.10 116.42 119.59 3ibb h ASP 285 Ca 0.21 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ibb h ASP 285 Cb -0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ibb h ASP 285 CO -0.04 0.04 0.00 0.41 -1.72 0.00 0.00 179.24 177.93 3ibb n THR 286 N -4.49 0.12 -0.10 0.35 -1.04 0.04 -4.56 114.28 104.60 3ibb n THR 286 Ca 0.02 -0.56 -0.09 0.00 -2.04 0.00 0.00 64.05 61.37 3ibb n THR 286 Cb 0.25 1.18 -0.02 0.00 -1.82 0.00 0.00 70.33 69.92 3ibb n THR 286 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3ibb h ILE 287 N 2.57 1.15 -3.16 12.58 6.09 -0.42 -3.41 117.51 132.91 3ibb h ILE 287 Ca 0.00 -0.43 -0.53 0.00 -1.37 0.00 0.00 64.86 62.54 3ibb h ILE 287 Cb 0.58 0.85 0.04 0.00 0.47 0.00 0.00 36.82 38.76 3ibb h ILE 287 CO 0.00 0.16 0.75 -0.69 -3.07 0.00 0.00 178.15 175.29 3ibb s VAL 288 N -5.74 2.97 -0.09 2.19 1.01 -1.26 -4.87 120.40 114.61 3ibb s VAL 288 Ca -0.13 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 3ibb s VAL 288 Cb 0.09 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3ibb s VAL 288 CO 0.73 0.09 0.02 -2.16 0.00 0.00 0.00 175.10 173.77 3ibb s PRO 289 N 0.43 3.03 0.50 2.72 0.04 -1.26 -4.97 135.00 135.49 3ibb s PRO 289 Ca 0.62 -0.38 0.19 0.00 0.04 0.00 0.00 61.00 61.48 3ibb s PRO 289 Cb -0.39 -2.84 1.26 0.00 0.04 0.00 0.00 34.50 32.57 3ibb s PRO 289 CO 0.36 0.71 2.04 -0.44 0.04 0.00 0.00 177.00 179.71 3ibb h ASP 290 N 5.11 0.09 -3.55 6.66 3.32 -1.95 -3.40 116.42 122.70 3ibb h ASP 290 Ca -0.51 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.01 3ibb h ASP 290 Cb 1.20 -0.02 0.08 0.00 0.22 0.00 0.00 39.33 40.81 3ibb h ASP 290 CO 0.55 0.06 0.82 -0.55 -1.72 0.00 0.00 179.24 178.39 3ibb s SER 291 N -6.51 6.44 0.11 6.45 0.15 -1.26 -4.89 113.70 114.19 3ibb s SER 291 Ca -0.06 2.91 -0.16 0.00 0.70 0.00 0.00 55.95 59.35 3ibb s SER 291 Cb 0.19 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3ibb s SER 291 CO 0.72 -0.84 1.58 0.00 1.20 0.00 0.00 173.24 175.89 3ibb h ALA 292 N 4.25 0.47 -0.65 5.45 0.00 -2.05 -3.30 119.26 123.44 3ibb h ALA 292 Ca -0.48 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3ibb h ALA 292 Cb 1.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3ibb h ALA 292 CO 0.74 0.21 0.15 -0.91 0.00 0.00 0.00 179.25 179.43 3ibb h ASN 293 N 0.43 1.00 -3.96 0.00 4.21 -1.92 -3.46 115.58 111.88 3ibb h ASN 293 Ca 0.10 -0.24 -0.53 0.00 1.21 0.00 0.00 56.30 56.84 3ibb h ASN 293 Cb 0.40 -0.26 0.09 0.00 -1.12 0.00 0.00 38.32 37.43 3ibb h ASN 293 CO 0.01 0.98 0.64 -1.58 -1.29 0.00 0.00 177.43 176.19 3ibb s GLN 294 N -5.29 3.90 0.46 0.81 0.74 -1.24 -5.04 119.66 114.01 3ibb s GLN 294 Ca -0.12 2.23 0.05 0.00 0.05 0.00 0.00 55.36 57.56 3ibb s GLN 294 Cb 0.14 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.53 3ibb s GLN 294 CO 0.84 -0.57 0.65 -2.14 -0.55 0.00 0.00 175.29 173.51 3ibb s PRO 295 N -2.29 2.77 0.09 1.67 0.02 -1.26 -4.85 135.00 131.15 3ibb s PRO 295 Ca 0.58 -0.98 -0.01 0.00 0.02 0.00 0.00 61.00 60.61 3ibb s PRO 295 Cb -0.40 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 3ibb s PRO 295 CO 0.51 -0.40 0.01 1.52 -0.33 0.00 0.00 177.00 178.31 3ibb s TYR 296 N -2.51 0.66 -0.36 6.54 1.13 -1.26 -4.92 117.35 116.63 3ibb s TYR 296 Ca 0.54 -1.13 -0.18 0.00 -1.41 0.00 0.00 57.07 54.89 3ibb s TYR 296 Cb -0.10 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.34 3ibb s TYR 296 CO 0.35 -0.45 0.50 0.34 -2.51 0.00 0.00 175.55 173.79 3ibb s ASP 297 N -2.97 6.29 0.62 -0.18 -1.08 -1.26 -4.15 116.67 113.94 3ibb s ASP 297 Ca 0.14 -0.13 0.31 0.00 -0.52 0.00 0.00 52.55 52.35 3ibb s ASP 297 Cb 0.08 -2.26 1.72 0.00 -1.46 0.00 0.00 42.92 41.00 3ibb s ASP 297 CO -0.05 -0.50 2.05 -0.03 0.52 0.00 0.00 175.17 177.17 3ibb h MET 298 N 8.52 0.00 -0.26 4.34 1.85 -1.96 -1.20 114.93 126.21 3ibb h MET 298 Ca -0.28 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 58.82 3ibb h MET 298 Cb 1.12 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 3ibb h MET 298 CO 0.78 0.00 0.18 0.45 -0.40 0.00 0.00 176.91 177.91 3ibb h HIS 299 N 0.00 0.32 -0.53 1.39 3.86 -1.93 0.47 115.15 118.74 3ibb h HIS 299 Ca 0.07 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3ibb h HIS 299 Cb 0.59 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 3ibb h HIS 299 CO 0.00 0.20 0.26 0.77 0.86 0.00 0.00 177.93 180.02 3ibb h SER 300 N 0.34 0.68 -0.33 2.45 0.02 -1.64 -2.58 113.55 112.49 3ibb h SER 300 Ca 0.10 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3ibb h SER 300 Cb -0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3ibb h SER 300 CO -0.02 0.61 -0.11 0.58 -1.14 0.00 0.00 176.83 176.76 3ibb h VAL 301 N 0.70 1.26 -0.54 2.27 2.07 -0.22 -2.64 116.25 119.15 3ibb h VAL 301 Ca 0.18 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3ibb h VAL 301 Cb 0.11 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3ibb h VAL 301 CO -0.02 0.39 0.28 0.40 0.02 0.00 0.00 177.57 178.64 3ibb h ILE 302 N 0.69 1.19 -0.52 4.57 1.08 -1.40 -3.15 117.51 119.97 3ibb h ILE 302 Ca 0.12 -0.51 -0.06 0.00 -0.39 0.00 0.00 64.86 64.02 3ibb h ILE 302 Cb 0.58 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 3ibb h ILE 302 CO 0.04 0.21 0.09 -0.33 -0.69 0.00 0.00 178.15 177.47 3ibb h GLU 303 N 0.73 0.82 -0.88 2.37 5.08 -1.42 -3.00 114.58 118.27 3ibb h GLU 303 Ca 0.19 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ibb h GLU 303 Cb 0.08 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3ibb h GLU 303 CO -0.03 0.76 0.55 0.45 -1.00 0.00 0.00 179.01 179.75 3ibb h HIS 304 N 0.78 1.14 -0.48 4.33 3.86 -1.43 0.15 115.15 123.51 3ibb h HIS 304 Ca 0.17 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3ibb h HIS 304 Cb 0.34 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3ibb h HIS 304 CO 0.02 0.75 -0.04 -0.39 0.86 0.00 0.00 177.93 179.12 3ibb h VAL 305 N 1.21 1.25 -3.86 2.45 -1.51 -1.57 -3.47 116.25 110.75 3ibb h VAL 305 Ca 0.32 -1.08 -0.48 0.00 -1.23 0.00 0.00 66.70 64.23 3ibb h VAL 305 Cb -0.08 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.00 3ibb h VAL 305 CO -0.06 0.38 0.39 -0.76 -1.23 0.00 0.00 177.57 176.29 3ibb s LEU 306 N -9.13 4.39 0.10 4.19 1.43 0.52 -4.92 118.68 115.27 3ibb s LEU 306 Ca -0.10 2.01 -0.31 0.00 -1.03 0.00 0.00 54.13 54.70 3ibb s LEU 306 Cb 0.14 -3.90 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 3ibb s LEU 306 CO 0.82 -0.15 1.87 -1.81 0.23 0.00 0.00 176.35 177.31 3ibb s ASP 307 N -1.36 6.42 -1.18 2.29 -0.00 -0.81 -1.63 116.67 120.41 3ibb s ASP 307 Ca 0.49 2.75 0.00 0.00 -0.00 0.00 0.00 52.55 55.79 3ibb s ASP 307 Cb -0.24 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.12 3ibb s ASP 307 CO 0.30 -1.02 0.00 0.47 -0.00 0.00 0.00 175.17 174.92 3ibb n ASP 308 N 6.14 -4.23 0.00 0.27 8.00 -1.26 -1.38 116.55 124.09 3ibb n ASP 308 Ca 0.18 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.85 3ibb n ASP 308 Cb 0.39 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 3ibb n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibb n ALA 309 N -2.14 0.00 -1.78 2.24 0.00 -0.65 -4.80 120.51 113.38 3ibb n ALA 309 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3ibb n ALA 309 Cb 0.62 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 3ibb n ALA 309 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ibb s GLU 310 N -1.42 4.15 -0.09 0.00 2.12 -0.48 -4.85 118.70 118.13 3ibb s GLU 310 Ca 0.00 2.53 -0.07 0.00 0.36 0.00 0.00 54.97 57.79 3ibb s GLU 310 Cb 0.00 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.37 3ibb s GLU 310 CO 0.00 -0.62 0.23 0.12 -0.54 0.00 0.00 175.26 174.45 3ibb s PHE 311 N 0.29 -0.27 -0.19 5.30 5.36 -1.26 -4.50 117.98 122.70 3ibb s PHE 311 Ca 0.65 0.66 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 3ibb s PHE 311 Cb -0.47 0.07 -0.00 0.00 -0.34 0.00 0.00 43.02 42.28 3ibb s PHE 311 CO 0.43 -0.15 -0.09 0.12 -1.46 0.00 0.00 175.22 174.06 3ibb s PHE 312 N 0.48 2.89 -0.15 10.12 5.36 0.47 -4.95 117.98 132.21 3ibb s PHE 312 Ca -0.03 -1.02 -0.14 0.00 -0.96 0.00 0.00 56.93 54.79 3ibb s PHE 312 Cb -0.04 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.58 3ibb s PHE 312 CO -0.02 -0.53 0.30 -2.00 -1.46 0.00 0.00 175.22 171.51 3ibb s GLU 313 N 1.19 4.20 -0.18 10.12 2.12 -1.26 -1.18 118.70 133.71 3ibb s GLU 313 Ca 0.02 0.12 -0.08 0.00 0.36 0.00 0.00 54.97 55.40 3ibb s GLU 313 Cb -0.14 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 3ibb s GLU 313 CO -0.03 0.29 0.07 0.95 -0.54 0.00 0.00 175.26 176.00 3ibb s THR 314 N 0.29 4.84 -1.23 -1.70 -4.23 0.10 -4.65 115.64 109.06 3ibb s THR 314 Ca 0.17 -0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3ibb s THR 314 Cb -0.13 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.53 3ibb s THR 314 CO 0.05 0.46 1.05 0.00 -0.54 0.00 0.00 174.62 175.64 3ibb n GLN 315 N 3.50 -7.04 -0.30 3.99 6.02 -0.61 -4.34 117.38 118.60 3ibb n GLN 315 Ca -0.17 0.80 0.03 0.00 -0.01 0.00 0.00 57.00 57.65 3ibb n GLN 315 Cb 0.52 -5.71 0.23 0.00 1.02 0.00 0.00 30.24 26.30 3ibb n GLN 315 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3ibb h PRO 316 N -2.25 1.02 -0.75 -1.09 0.11 -1.83 0.29 132.00 127.51 3ibb h PRO 316 Ca -0.55 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.46 3ibb h PRO 316 Cb 1.34 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3ibb h PRO 316 CO 0.51 0.67 0.30 -0.07 -0.21 0.00 0.00 178.00 179.20 3ibb h LEU 317 N 1.05 1.03 -9.38 2.35 3.38 -1.89 -3.39 115.31 108.46 3ibb h LEU 317 Ca 0.38 -0.17 -0.55 0.00 0.09 0.00 0.00 57.88 57.63 3ibb h LEU 317 Cb 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3ibb h LEU 317 CO -0.14 0.92 0.24 0.12 0.09 0.00 0.00 178.44 179.67 3ibb s PHE 318 N -5.55 3.61 -1.23 1.13 5.36 0.09 -4.34 117.98 117.04 3ibb s PHE 318 Ca -0.12 1.47 -0.13 0.00 -0.96 0.00 0.00 56.93 57.18 3ibb s PHE 318 Cb 0.15 -2.96 -0.00 0.00 -0.34 0.00 0.00 43.02 39.86 3ibb s PHE 318 CO 0.83 0.03 0.67 0.00 -1.46 0.00 0.00 175.22 175.29 3ibb n ALA 319 N 3.89 -2.35 0.09 11.12 0.00 -1.26 -4.68 120.51 127.32 3ibb n ALA 319 Ca 0.02 -0.25 0.20 0.00 0.00 0.00 0.00 53.44 53.41 3ibb n ALA 319 Cb 0.51 -3.13 0.66 0.00 0.00 0.00 0.00 19.45 17.49 3ibb n ALA 319 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ibb h PRO 320 N -1.90 0.00 -0.27 0.00 0.11 -1.76 0.61 132.00 128.80 3ibb h PRO 320 Ca -0.65 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.53 3ibb h PRO 320 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 3ibb h PRO 320 CO 0.53 0.00 0.41 -2.95 -0.21 0.00 0.00 178.00 175.78 3ibb h ASN 321 N 0.00 0.00 -3.39 -2.05 -0.00 -1.84 -3.33 115.58 104.97 3ibb h ASN 321 Ca 0.21 0.00 -0.64 0.00 -0.00 0.00 0.00 56.30 55.87 3ibb h ASN 321 Cb 1.43 0.00 -0.33 0.00 -0.00 0.00 0.00 38.32 39.42 3ibb h ASN 321 CO -0.00 0.00 -0.86 -0.51 -0.00 0.00 0.00 177.43 176.05 3ibb s ILE 322 N -4.43 1.83 -0.17 6.14 2.07 0.20 0.14 121.20 126.97 3ibb s ILE 322 Ca -0.04 -0.89 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 3ibb s ILE 322 Cb 0.13 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.11 3ibb s ILE 322 CO 0.45 0.51 -0.06 -0.76 -1.91 0.00 0.00 174.94 173.16 3ibb s LEU 323 N 0.39 2.99 -0.02 8.50 1.43 -0.65 -4.92 118.68 126.40 3ibb s LEU 323 Ca -0.17 -0.27 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3ibb s LEU 323 Cb -0.17 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3ibb s LEU 323 CO 0.07 0.10 -0.19 0.42 0.23 0.00 0.00 176.35 176.98 3ibb s THR 324 N 0.77 1.55 0.15 5.49 -4.23 -1.26 -2.13 115.64 115.98 3ibb s THR 324 Ca -0.02 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.50 3ibb s THR 324 Cb -0.15 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.43 3ibb s THR 324 CO 0.02 0.44 0.44 -0.83 -0.54 0.00 0.00 174.62 174.15 3ibb s GLY 325 N -0.35 -0.16 0.12 3.99 0.00 -1.12 -0.72 107.32 109.08 3ibb s GLY 325 Ca 0.05 -0.16 0.09 0.00 0.00 0.00 0.00 44.72 44.70 3ibb s GLY 325 CO 0.00 -0.32 -0.21 -1.36 0.00 0.00 0.00 173.10 171.21 3ibb s PHE 326 N -3.84 1.90 0.17 1.90 0.08 -0.32 -0.58 117.98 117.29 3ibb s PHE 326 Ca 0.06 -0.42 -0.20 0.00 0.12 0.00 0.00 56.93 56.49 3ibb s PHE 326 Cb 0.01 -1.01 0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3ibb s PHE 326 CO -0.08 0.27 0.56 0.20 -0.10 0.00 0.00 175.22 176.06 3ibb s GLY 327 N -2.12 -0.41 0.03 4.36 0.00 0.75 -0.39 107.32 109.53 3ibb s GLY 327 Ca 0.10 0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.03 3ibb s GLY 327 CO 0.05 -0.03 -0.08 0.50 0.00 0.00 0.00 173.10 173.54 3ibb s ARG 328 N -3.80 0.54 -0.10 2.90 0.52 -1.26 0.29 118.95 118.04 3ibb s ARG 328 Ca 0.04 -0.64 -0.05 0.00 -0.52 0.00 0.00 55.73 54.56 3ibb s ARG 328 Cb -0.01 -0.38 0.05 0.00 0.52 0.00 0.00 34.95 35.12 3ibb s ARG 328 CO -0.09 0.08 0.24 0.08 0.02 0.00 0.00 175.30 175.63 3ibb s VAL 329 N -1.06 -0.04 -0.23 3.52 1.01 -1.14 -1.92 120.40 120.54 3ibb s VAL 329 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3ibb s VAL 329 Cb -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3ibb s VAL 329 CO 0.00 0.06 0.00 -0.62 0.00 0.00 0.00 175.10 174.54 3ibb n GLU 330 N 4.22 -1.04 -0.03 2.72 -0.58 -1.26 -0.17 120.64 124.50 3ibb n GLU 330 Ca -0.25 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3ibb n GLU 330 Cb 0.53 -4.24 0.00 0.00 -0.57 0.00 0.00 31.44 27.16 3ibb n GLU 330 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ibb n GLY 331 N -0.95 1.82 3.68 0.62 0.00 -1.26 -3.18 105.19 105.92 3ibb n GLY 331 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3ibb n GLY 331 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibb s ARG 332 N -0.38 4.16 0.37 1.61 1.81 0.76 -2.50 118.95 124.78 3ibb s ARG 332 Ca 0.00 0.09 -0.28 0.00 -1.72 0.00 0.00 55.73 53.82 3ibb s ARG 332 Cb 0.00 -3.52 -0.10 0.00 -0.45 0.00 0.00 34.95 30.87 3ibb s ARG 332 CO 0.00 0.02 1.40 -2.14 -0.68 0.00 0.00 175.30 173.90 3ibb s PRO 333 N 1.15 4.15 0.08 3.54 0.02 -1.26 -2.90 135.00 139.78 3ibb s PRO 333 Ca 0.16 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.61 3ibb s PRO 333 Cb -0.14 -2.96 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3ibb s PRO 333 CO 0.07 -0.43 -0.08 0.14 -0.33 0.00 0.00 177.00 176.37 3ibb s VAL 334 N -1.15 0.71 0.03 3.83 -7.23 0.82 -4.25 120.40 113.16 3ibb s VAL 334 Ca 0.52 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 3ibb s VAL 334 Cb -0.43 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 3ibb s VAL 334 CO 0.58 -0.67 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.62 3ibb s GLY 335 N -2.52 1.30 -0.10 2.32 0.00 0.21 -0.18 107.32 108.35 3ibb s GLY 335 Ca 0.05 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.60 3ibb s GLY 335 CO -0.02 -1.05 -0.12 -0.42 0.00 0.00 0.00 173.10 171.48 3ibb s ILE 336 N -0.74 3.17 -0.05 0.90 -1.09 0.26 -0.24 121.20 123.40 3ibb s ILE 336 Ca 0.10 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 3ibb s ILE 336 Cb -0.10 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 3ibb s ILE 336 CO 0.01 0.55 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.44 3ibb s VAL 337 N -0.04 1.25 0.10 2.92 1.01 -1.04 -2.78 120.40 121.82 3ibb s VAL 337 Ca -0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 3ibb s VAL 337 Cb -0.14 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.18 3ibb s VAL 337 CO 0.04 0.37 0.47 0.00 0.00 0.00 0.00 175.10 175.98 3ibb s ALA 338 N 0.35 -1.18 0.34 5.51 0.00 -0.91 -1.89 121.76 123.98 3ibb s ALA 338 Ca -0.09 0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 3ibb s ALA 338 Cb -0.13 0.58 -0.09 0.00 0.00 0.00 0.00 23.12 23.48 3ibb s ALA 338 CO 0.03 -0.60 1.12 -0.80 0.00 0.00 0.00 175.76 175.51 3ibb s ASN 339 N -2.43 6.94 -0.17 0.00 0.02 -0.49 -1.64 114.94 117.17 3ibb s ASN 339 Ca -0.01 2.26 -0.00 0.00 -1.02 0.00 0.00 52.86 54.08 3ibb s ASN 339 Cb 0.00 -2.62 -0.00 0.00 0.02 0.00 0.00 41.25 38.66 3ibb s ASN 339 CO -0.08 -0.38 -0.14 -1.58 0.02 0.00 0.00 177.10 174.95 3ibb s GLN 340 N -1.92 3.24 0.24 -0.60 2.00 0.37 -4.75 119.66 118.24 3ibb s GLN 340 Ca 0.51 -0.73 -0.06 0.00 -2.00 0.00 0.00 55.36 53.08 3ibb s GLN 340 Cb -0.30 -2.68 0.25 0.00 0.80 0.00 0.00 33.01 31.08 3ibb s GLN 340 CO 0.38 -0.02 1.83 -1.35 -0.50 0.00 0.00 175.29 175.63 3ibb h PRO 341 N 7.44 1.14 -0.57 1.67 0.11 -1.82 -1.95 132.00 138.02 3ibb h PRO 341 Ca -0.35 -0.18 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3ibb h PRO 341 Cb 1.18 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3ibb h PRO 341 CO 0.58 0.89 0.01 0.52 -0.21 0.00 0.00 178.00 179.79 3ibb h MET 342 N 1.12 0.97 -4.95 1.05 2.86 -1.88 -1.53 114.93 112.57 3ibb h MET 342 Ca 0.27 -0.28 -0.64 0.00 -2.06 0.00 0.00 59.70 56.99 3ibb h MET 342 Cb 0.15 -0.10 -0.16 0.00 0.06 0.00 0.00 31.60 31.54 3ibb h MET 342 CO -0.03 0.94 -0.50 -0.65 1.06 0.00 0.00 176.91 177.73 3ibb s GLN 343 N -5.03 3.97 -1.49 1.72 -1.52 -1.25 -4.32 119.66 111.74 3ibb s GLN 343 Ca -0.11 -0.29 -0.12 0.00 -1.95 0.00 0.00 55.36 52.89 3ibb s GLN 343 Cb 0.14 -3.64 0.07 0.00 -0.22 0.00 0.00 33.01 29.36 3ibb s GLN 343 CO 0.84 -0.15 0.96 1.19 -0.25 0.00 0.00 175.29 177.88 3ibb n PHE 344 N 4.95 -2.35 -0.99 0.91 3.01 -1.26 -0.94 117.46 120.78 3ibb n PHE 344 Ca -0.14 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.19 3ibb n PHE 344 Cb 0.52 -4.13 0.00 0.00 -0.01 0.00 0.00 39.48 35.86 3ibb n PHE 344 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ibb n ALA 345 N -4.57 0.00 -2.54 4.37 0.00 -1.00 -2.89 120.51 113.88 3ibb n ALA 345 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 3ibb n ALA 345 Cb 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3ibb n ALA 345 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ibb n GLY 346 N -0.80 -0.51 3.91 0.00 0.00 -0.12 -4.68 105.19 102.99 3ibb n GLY 346 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3ibb n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s LEU 348 N -4.10 4.05 0.08 0.00 0.20 0.19 -4.71 118.68 114.38 3ibb s LEU 348 Ca 0.45 2.35 -0.04 0.00 0.69 0.00 0.00 54.13 57.58 3ibb s LEU 348 Cb -0.07 -4.18 -0.03 0.00 -0.43 0.00 0.00 46.19 41.48 3ibb s LEU 348 CO 0.29 -0.89 0.06 1.51 -0.29 0.00 0.00 176.35 177.02 3ibb s ASP 349 N -1.27 0.34 0.35 3.68 -4.77 -1.26 0.47 116.67 114.20 3ibb s ASP 349 Ca 0.62 -0.91 0.05 0.00 -3.30 0.00 0.00 52.55 49.01 3ibb s ASP 349 Cb -0.30 0.26 0.69 0.00 -1.09 0.00 0.00 42.92 42.49 3ibb s ASP 349 CO 0.37 -0.67 1.95 0.40 0.70 0.00 0.00 175.17 177.92 3ibb h ILE 350 N 2.97 1.04 -0.89 2.11 2.04 -1.95 -1.11 117.51 121.71 3ibb h ILE 350 Ca -0.34 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3ibb h ILE 350 Cb 1.17 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3ibb h ILE 350 CO 0.61 0.15 0.50 0.71 0.00 0.00 0.00 178.15 180.12 3ibb h THR 351 N 0.82 1.25 -0.29 -0.27 1.35 -1.98 0.54 112.91 114.33 3ibb h THR 351 Ca 0.33 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 3ibb h THR 351 Cb 0.23 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.68 3ibb h THR 351 CO -0.11 0.28 0.06 0.00 -0.25 0.00 0.00 175.52 175.50 3ibb h ALA 352 N 1.31 0.39 -0.34 6.62 0.00 -1.52 0.10 119.26 125.82 3ibb h ALA 352 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3ibb h ALA 352 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ibb h ALA 352 CO -0.05 0.07 0.09 0.77 0.00 0.00 0.00 179.25 180.12 3ibb h SER 353 N 0.31 0.45 -0.18 0.00 0.02 -1.39 0.76 113.55 113.52 3ibb h SER 353 Ca 0.09 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3ibb h SER 353 Cb 0.32 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ibb h SER 353 CO 0.00 0.45 0.11 -0.08 -1.14 0.00 0.00 176.83 176.17 3ibb h GLU 354 N 0.49 0.24 0.10 3.45 4.81 -0.44 -2.79 114.58 120.44 3ibb h GLU 354 Ca 0.12 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3ibb h GLU 354 Cb 0.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3ibb h GLU 354 CO -0.00 0.20 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.21 3ibb h LYS 355 N 0.21 -0.13 -0.43 1.92 3.64 0.10 -3.36 116.57 118.51 3ibb h LYS 355 Ca 0.06 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3ibb h LYS 355 Cb 0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3ibb h LYS 355 CO -0.01 0.28 -0.04 0.00 -2.27 0.00 0.00 179.45 177.41 3ibb h ALA 356 N 0.24 0.59 -0.80 5.00 0.00 -1.02 -3.32 119.26 119.95 3ibb h ALA 356 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3ibb h ALA 356 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ibb h ALA 356 CO 0.02 0.41 0.32 0.00 0.00 0.00 0.00 179.25 180.01 3ibb h ALA 357 N 0.89 1.04 -0.35 0.00 0.00 -1.65 0.62 119.26 119.80 3ibb h ALA 357 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ibb h ALA 357 Cb 0.54 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3ibb h ALA 357 CO 0.03 0.66 0.11 -0.09 0.00 0.00 0.00 179.25 179.96 3ibb h ARG 358 N 1.16 0.24 -0.51 0.00 1.12 -1.75 -2.82 114.38 111.82 3ibb h ARG 358 Ca 0.27 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 59.02 3ibb h ARG 358 Cb 0.21 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 3ibb h ARG 358 CO -0.02 0.16 -0.09 0.35 -3.11 0.00 0.00 179.97 177.25 3ibb h PHE 359 N 0.25 1.04 -0.49 2.20 3.57 -0.04 0.33 116.94 123.79 3ibb h PHE 359 Ca 0.16 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3ibb h PHE 359 Cb 0.16 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3ibb h PHE 359 CO -0.16 0.98 0.23 0.28 -2.23 0.00 0.00 178.31 177.41 3ibb h VAL 360 N 0.84 1.19 -0.61 1.41 2.07 -0.58 -2.00 116.25 118.58 3ibb h VAL 360 Ca 0.14 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3ibb h VAL 360 Cb 0.63 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3ibb h VAL 360 CO 0.04 0.22 0.23 0.03 0.02 0.00 0.00 177.57 178.11 3ibb h ARG 361 N 0.66 0.91 -0.59 1.57 2.47 -1.13 0.05 114.38 118.33 3ibb h ARG 361 Ca 0.17 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3ibb h ARG 361 Cb 0.13 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 3ibb h ARG 361 CO -0.02 0.79 0.25 1.15 0.56 0.00 0.00 179.97 182.70 3ibb h THR 362 N 0.85 1.22 -0.29 2.04 2.02 -0.30 -0.24 112.91 118.21 3ibb h THR 362 Ca 0.20 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3ibb h THR 362 Cb 0.22 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3ibb h THR 362 CO -0.01 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.17 3ibb h ASP 364 N 0.29 0.39 -0.50 0.00 3.58 -0.91 0.33 116.42 119.60 3ibb h ASP 364 Ca 0.08 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 3ibb h ASP 364 Cb 0.37 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 3ibb h ASP 364 CO 0.01 0.39 0.31 0.00 -2.88 0.00 0.00 179.24 177.06 3ibb h ALA 365 N 1.68 0.64 -0.62 -0.78 0.00 -0.90 -2.95 119.26 116.33 3ibb h ALA 365 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ibb h ALA 365 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ibb h ALA 365 CO -0.01 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.55 3ibb n PHE 366 N -4.70 0.83 -3.29 0.00 3.72 -1.03 -4.80 117.46 108.19 3ibb n PHE 366 Ca 0.02 -0.41 -0.16 0.00 -0.05 0.00 0.00 57.45 56.85 3ibb n PHE 366 Cb 0.05 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.66 3ibb n PHE 366 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ibb n ASN 367 N 1.50 -3.18 -4.37 4.37 3.02 -1.02 -4.57 115.26 111.02 3ibb n ASN 367 Ca 0.22 -0.51 -0.34 0.00 -0.03 0.00 0.00 54.58 53.93 3ibb n ASN 367 Cb 0.58 -4.43 -0.14 0.00 -0.61 0.00 0.00 39.78 35.19 3ibb n ASN 367 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ibb s VAL 368 N -3.30 3.34 0.30 2.41 1.01 0.11 -4.60 120.40 119.68 3ibb s VAL 368 Ca 0.15 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3ibb s VAL 368 Cb -0.07 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.74 3ibb s VAL 368 CO 0.62 0.48 1.33 -2.84 0.00 0.00 0.00 175.10 174.69 3ibb s PRO 369 N 0.85 4.34 -0.22 2.72 0.02 -1.26 -4.42 135.00 137.02 3ibb s PRO 369 Ca -0.02 2.22 -0.07 0.00 0.02 0.00 0.00 61.00 63.15 3ibb s PRO 369 Cb -0.15 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 3ibb s PRO 369 CO 0.01 -0.24 0.07 0.08 -0.33 0.00 0.00 177.00 176.58 3ibb s VAL 370 N -0.81 4.48 -0.23 3.83 1.01 -0.95 0.66 120.40 128.39 3ibb s VAL 370 Ca 0.52 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3ibb s VAL 370 Cb -0.40 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3ibb s VAL 370 CO 0.50 0.38 0.06 -0.76 0.00 0.00 0.00 175.10 175.28 3ibb s LEU 371 N 1.13 3.49 -0.14 3.92 1.43 0.66 -2.24 118.68 126.93 3ibb s LEU 371 Ca 0.04 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3ibb s LEU 371 Cb -0.14 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 3ibb s LEU 371 CO 0.03 0.02 -0.16 -0.89 0.23 0.00 0.00 176.35 175.58 3ibb s THR 372 N 1.27 2.66 -0.15 5.49 2.01 -0.22 -2.48 115.64 124.23 3ibb s THR 372 Ca 0.05 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3ibb s THR 372 Cb -0.15 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 3ibb s THR 372 CO 0.03 0.52 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.97 3ibb s PHE 373 N 0.65 2.78 -0.19 4.92 0.40 -0.79 0.69 117.98 126.43 3ibb s PHE 373 Ca -0.08 -0.98 0.01 0.00 -0.60 0.00 0.00 56.93 55.28 3ibb s PHE 373 Cb -0.16 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.52 3ibb s PHE 373 CO 0.02 -0.43 -0.16 0.08 0.70 0.00 0.00 175.22 175.43 3ibb s VAL 374 N 0.74 1.89 -0.44 -0.44 1.01 0.36 -1.39 120.40 122.13 3ibb s VAL 374 Ca -0.06 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.02 3ibb s VAL 374 Cb -0.15 -1.80 0.26 0.00 0.00 0.00 0.00 36.38 34.69 3ibb s VAL 374 CO 0.01 0.39 0.78 -0.67 0.00 0.00 0.00 175.10 175.60 3ibb n ASP 375 N 4.64 -1.43 -4.29 3.32 -0.08 -1.23 -0.88 116.55 116.60 3ibb n ASP 375 Ca -0.18 -3.12 -0.35 0.00 -1.51 0.00 0.00 54.79 49.64 3ibb n ASP 375 Cb 0.48 0.77 -0.14 0.00 2.34 0.00 0.00 41.12 44.57 3ibb n ASP 375 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3ibb s VAL 376 N -0.29 3.21 -0.02 5.18 0.11 -0.91 -4.60 120.40 123.08 3ibb s VAL 376 Ca 0.33 -0.55 -0.23 0.00 -2.93 0.00 0.00 61.98 58.60 3ibb s VAL 376 Cb 0.23 -2.45 -0.20 0.00 -1.53 0.00 0.00 36.38 32.42 3ibb s VAL 376 CO -0.16 0.44 1.16 1.55 -3.33 0.00 0.00 175.10 174.76 3ibb h PRO 377 N 8.08 0.20 -2.79 1.54 0.13 -1.85 -2.55 132.00 134.76 3ibb h PRO 377 Ca -0.42 -0.16 0.08 0.00 -0.87 0.00 0.00 66.00 64.63 3ibb h PRO 377 Cb 1.16 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3ibb h PRO 377 CO 0.61 0.80 0.35 0.20 -0.23 0.00 0.00 178.00 179.73 3ibb s GLY 378 N -3.65 0.06 -0.15 1.56 0.00 -1.26 -4.24 107.32 99.63 3ibb s GLY 378 Ca -0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 3ibb s GLY 378 CO 0.74 0.26 0.04 -1.36 0.00 0.00 0.00 173.10 172.78 3ibb s PHE 379 N -2.98 3.23 0.00 1.90 0.40 -1.26 -0.64 117.98 118.64 3ibb s PHE 379 Ca 0.14 0.08 -0.38 0.00 -0.60 0.00 0.00 56.93 56.18 3ibb s PHE 379 Cb -0.04 -1.99 -0.17 0.00 0.51 0.00 0.00 43.02 41.33 3ibb s PHE 379 CO 0.07 0.25 1.33 -0.11 0.70 0.00 0.00 175.22 177.46 3ibb n LEU 380 N 3.10 1.32 -4.75 -0.37 7.94 1.67 -4.88 117.00 121.04 3ibb n LEU 380 Ca -0.17 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.44 3ibb n LEU 380 Cb 0.53 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 43.34 3ibb n LEU 380 CO 0.33 -1.17 1.01 -2.84 -1.11 0.00 0.00 177.39 173.61 3ibb s PRO 381 N 0.80 4.36 0.04 1.96 0.02 -1.26 -4.90 135.00 136.01 3ibb s PRO 381 Ca 0.88 2.15 -0.27 0.00 0.02 0.00 0.00 61.00 63.78 3ibb s PRO 381 Cb -1.06 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 30.41 3ibb s PRO 381 CO 0.53 -0.27 0.85 0.20 -0.33 0.00 0.00 177.00 177.97 3ibb s GLY 382 N 0.13 -0.47 0.00 0.52 0.00 -1.26 -4.87 107.32 101.37 3ibb s GLY 382 Ca 0.55 0.85 0.11 0.00 0.00 0.00 0.00 44.72 46.23 3ibb s GLY 382 CO 0.43 0.28 1.24 -0.62 0.00 0.00 0.00 173.10 174.43 3ibb n VAL 383 N -0.28 0.95 0.00 1.40 0.31 -1.26 -3.77 118.33 115.67 3ibb n VAL 383 Ca -0.10 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.26 3ibb n VAL 383 Cb 0.62 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 34.09 3ibb n VAL 383 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3ibb n ASP 384 N 0.54 1.39 -0.14 4.52 5.75 -1.26 -4.39 116.55 122.96 3ibb n ASP 384 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.81 3ibb n ASP 384 Cb 0.42 0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3ibb n ASP 384 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3ibb h GLN 385 N 0.00 0.60 -0.30 0.11 1.08 -1.90 -2.82 115.11 111.88 3ibb h GLN 385 Ca 0.00 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 3ibb h GLN 385 Cb 0.32 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3ibb h GLN 385 CO 0.00 0.52 -0.02 0.93 -0.95 0.00 0.00 178.83 179.31 3ibb h GLU 386 N 0.52 0.54 -0.12 1.46 4.39 -1.84 -3.15 114.58 116.38 3ibb h GLU 386 Ca 0.14 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3ibb h GLU 386 Cb 0.13 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3ibb h GLU 386 CO -0.02 0.70 0.06 0.45 -1.16 0.00 0.00 179.01 179.04 3ibb h HIS 387 N 0.32 0.18 0.00 4.33 3.86 -1.76 -3.28 115.15 118.80 3ibb h HIS 387 Ca 0.08 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3ibb h HIS 387 Cb 0.47 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3ibb h HIS 387 CO 0.04 0.24 -0.23 -0.44 0.86 0.00 0.00 177.93 178.40 3ibb h ASP 388 N 0.07 0.00 0.00 2.45 3.32 -1.64 -3.44 116.42 117.18 3ibb h ASP 388 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ibb h ASP 388 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3ibb h ASP 388 CO -0.00 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.35 3ibb n GLY 389 N -0.22 -0.02 0.32 2.75 0.00 -1.24 -5.03 105.19 101.76 3ibb n GLY 389 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.92 3ibb n GLY 389 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ibb h ILE 390 N 0.00 1.16 -0.26 -0.61 6.09 -1.63 -0.80 117.51 121.47 3ibb h ILE 390 Ca 0.00 -0.38 -0.02 0.00 -1.37 0.00 0.00 64.86 63.09 3ibb h ILE 390 Cb 0.00 0.41 -0.01 0.00 0.47 0.00 0.00 36.82 37.69 3ibb h ILE 390 CO 0.00 0.17 0.09 0.40 -3.07 0.00 0.00 178.15 175.74 3ibb h ILE 391 N 0.75 1.19 0.33 2.19 1.08 -1.88 -0.28 117.51 120.89 3ibb h ILE 391 Ca 0.19 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 3ibb h ILE 391 Cb -0.00 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 3ibb h ILE 391 CO -0.03 0.20 -0.16 0.08 -0.69 0.00 0.00 178.15 177.54 3ibb h ARG 392 N 0.25 -0.42 -0.29 2.37 0.11 -1.91 -3.39 114.38 111.11 3ibb h ARG 392 Ca 0.08 0.03 -0.16 0.00 0.10 0.00 0.00 59.98 60.04 3ibb h ARG 392 Cb 0.22 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 3ibb h ARG 392 CO -0.00 -0.15 -0.45 -0.09 0.10 0.00 0.00 179.97 179.38 3ibb h ARG 393 N -0.66 0.74 -0.68 0.08 9.65 -0.80 -3.02 114.38 119.70 3ibb h ARG 393 Ca -0.04 -0.41 0.02 0.00 -1.10 0.00 0.00 59.98 58.44 3ibb h ARG 393 Cb 0.47 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 3ibb h ARG 393 CO 0.07 1.04 0.45 0.78 2.80 0.00 0.00 179.97 185.11 3ibb h GLY 394 N 0.91 0.94 1.95 2.80 0.00 -1.29 -2.68 103.07 105.69 3ibb h GLY 394 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3ibb h GLY 394 CO 0.10 0.32 0.02 0.00 0.00 0.00 0.00 176.54 176.97 3ibb h ALA 395 N 1.59 1.93 -0.86 3.60 0.00 -1.72 0.23 119.26 124.04 3ibb h ALA 395 Ca 0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3ibb h ALA 395 Cb -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3ibb h ALA 395 CO -0.06 0.06 0.56 0.87 0.00 0.00 0.00 179.25 180.67 3ibb h LYS 396 N 0.07 0.96 -0.44 0.00 1.57 -1.61 0.67 116.57 117.79 3ibb h LYS 396 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3ibb h LYS 396 Cb 0.02 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3ibb h LYS 396 CO -0.00 0.64 0.16 1.25 -0.57 0.00 0.00 179.45 180.92 3ibb h LEU 397 N 0.99 0.63 -1.00 2.94 6.46 -0.72 0.59 115.31 125.19 3ibb h LEU 397 Ca 0.36 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 3ibb h LEU 397 Cb 0.16 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 3ibb h LEU 397 CO -0.12 0.65 0.08 0.16 -0.62 0.00 0.00 178.44 178.58 3ibb h ILE 398 N 0.57 1.23 -0.60 4.05 3.07 0.10 -2.61 117.51 123.32 3ibb h ILE 398 Ca 0.15 -0.87 -0.05 0.00 1.55 0.00 0.00 64.86 65.63 3ibb h ILE 398 Cb 0.23 0.75 -0.02 0.00 -0.27 0.00 0.00 36.82 37.50 3ibb h ILE 398 CO -0.01 0.32 0.16 0.15 -1.05 0.00 0.00 178.15 177.72 3ibb h PHE 399 N 0.77 0.99 -0.62 0.16 3.57 -0.07 -3.04 116.94 118.69 3ibb h PHE 399 Ca 0.16 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3ibb h PHE 399 Cb 0.34 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3ibb h PHE 399 CO 0.02 0.83 0.33 0.00 -2.23 0.00 0.00 178.31 177.26 3ibb h ALA 400 N 1.04 0.80 -0.22 2.41 0.00 0.25 -1.95 119.26 121.59 3ibb h ALA 400 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 400 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ibb h ALA 400 CO -0.00 0.33 -0.14 1.88 0.00 0.00 0.00 179.25 181.31 3ibb h TYR 401 N 0.85 0.57 -0.42 0.00 0.05 -1.50 -2.86 116.97 113.65 3ibb h TYR 401 Ca 0.22 -0.15 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 3ibb h TYR 401 Cb 0.06 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3ibb h TYR 401 CO -0.01 0.79 0.11 0.00 -1.05 0.00 0.00 178.16 178.01 3ibb h ALA 402 N 0.69 1.41 -0.59 3.88 0.00 -1.60 -3.14 119.26 119.91 3ibb h ALA 402 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ibb h ALA 402 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ibb h ALA 402 CO 0.04 0.43 0.28 1.49 0.00 0.00 0.00 179.25 181.49 3ibb h GLU 403 N 0.61 0.86 -6.92 0.00 4.81 -1.38 -3.46 114.58 109.10 3ibb h GLU 403 Ca 0.14 -0.13 -0.51 0.00 -0.13 0.00 0.00 59.36 58.73 3ibb h GLU 403 Cb 0.22 -0.15 0.05 0.00 0.63 0.00 0.00 28.75 29.50 3ibb h GLU 403 CO -0.01 0.71 0.53 0.00 -0.73 0.00 0.00 179.01 179.51 3ibb s ALA 404 N -5.67 3.23 -1.13 2.92 0.00 -1.08 -4.97 121.76 115.07 3ibb s ALA 404 Ca -0.13 1.03 0.14 0.00 0.00 0.00 0.00 51.96 53.01 3ibb s ALA 404 Cb 0.13 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3ibb s ALA 404 CO 0.79 -0.55 0.73 2.41 0.00 0.00 0.00 175.76 179.14 3ibb n THR 405 N 0.28 0.00 -1.81 0.00 -1.04 -1.26 -5.02 114.28 105.43 3ibb n THR 405 Ca 0.03 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.05 61.42 3ibb n THR 405 Cb 0.45 1.12 0.03 0.00 -1.82 0.00 0.00 70.33 70.12 3ibb n THR 405 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3ibb s VAL 406 N -1.93 3.71 0.10 12.58 -7.23 -1.26 -4.73 120.40 121.65 3ibb s VAL 406 Ca 0.10 0.72 -0.31 0.00 -1.81 0.00 0.00 61.98 60.68 3ibb s VAL 406 Cb 0.11 -3.29 -0.10 0.00 0.56 0.00 0.00 36.38 33.67 3ibb s VAL 406 CO 0.43 -0.57 1.80 -2.84 -0.31 0.00 0.00 175.10 173.61 3ibb s PRO 407 N -4.38 4.15 -0.19 4.82 0.02 -1.26 -4.85 135.00 133.31 3ibb s PRO 407 Ca 0.63 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 64.17 3ibb s PRO 407 Cb -0.16 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.73 3ibb s PRO 407 CO 0.44 -0.83 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.64 3ibb s LEU 408 N 2.83 2.47 -0.03 -5.54 2.01 -1.26 -2.23 118.68 116.93 3ibb s LEU 408 Ca 0.80 -0.52 0.05 0.00 0.01 0.00 0.00 54.13 54.47 3ibb s LEU 408 Cb -0.44 -1.59 -0.01 0.00 0.01 0.00 0.00 46.19 44.16 3ibb s LEU 408 CO 0.36 0.02 -0.19 -0.63 1.01 0.00 0.00 176.35 176.92 3ibb s ILE 409 N 1.23 1.51 0.04 -0.59 1.01 -0.95 -1.55 121.20 121.90 3ibb s ILE 409 Ca 0.03 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3ibb s ILE 409 Cb -0.14 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3ibb s ILE 409 CO -0.06 0.43 -0.14 -0.89 0.00 0.00 0.00 174.94 174.27 3ibb s THR 410 N -0.18 1.14 -0.13 2.92 2.01 0.30 -1.05 115.64 120.65 3ibb s THR 410 Ca 0.01 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.99 3ibb s THR 410 Cb -0.10 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.38 3ibb s THR 410 CO 0.01 -0.01 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.03 3ibb s VAL 411 N -0.89 2.21 -0.46 3.82 1.01 0.22 -0.30 120.40 126.01 3ibb s VAL 411 Ca 0.01 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3ibb s VAL 411 Cb -0.08 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.44 3ibb s VAL 411 CO 0.01 0.54 0.70 -0.63 0.00 0.00 0.00 175.10 175.72 3ibb s ILE 412 N 0.69 4.76 0.03 2.22 1.01 0.17 0.14 121.20 130.22 3ibb s ILE 412 Ca -0.09 0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 3ibb s ILE 412 Cb -0.16 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 3ibb s ILE 412 CO 0.01 -0.68 1.28 0.71 0.00 0.00 0.00 174.94 176.26 3ibb h THR 413 N 5.91 0.00 0.00 2.92 1.35 -1.30 -1.64 112.91 120.15 3ibb h THR 413 Ca -0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3ibb h THR 413 Cb 1.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3ibb h THR 413 CO 0.93 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 175.06 3ibb n ARG 414 N -4.00 0.00 -1.91 4.72 0.63 -1.20 -2.28 116.66 112.61 3ibb n ARG 414 Ca -0.09 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.42 3ibb n ARG 414 Cb 0.29 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.17 3ibb n ARG 414 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ibb s LYS 415 N 0.00 4.18 -0.06 -0.14 -0.14 -1.26 0.14 119.74 122.45 3ibb s LYS 415 Ca 0.00 2.32 0.02 0.00 -1.36 0.00 0.00 55.97 56.95 3ibb s LYS 415 Cb 0.00 -3.95 0.01 0.00 -1.68 0.00 0.00 37.83 32.22 3ibb s LYS 415 CO 0.00 -0.85 -0.11 0.00 -0.76 0.00 0.00 175.35 173.63 3ibb s ALA 416 N 3.85 1.14 -0.20 5.17 0.00 0.29 -2.14 121.76 129.87 3ibb s ALA 416 Ca 0.77 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 3ibb s ALA 416 Cb -0.37 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.27 3ibb s ALA 416 CO 0.33 0.09 0.54 -0.06 0.00 0.00 0.00 175.76 176.66 3ibb s PHE 417 N 0.70 -0.61 0.00 0.00 0.08 -0.96 -3.55 117.98 113.64 3ibb s PHE 417 Ca -0.14 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.37 3ibb s PHE 417 Cb -0.15 0.22 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 3ibb s PHE 417 CO 0.03 -0.30 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 3ibb n GLY 418 N 2.89 3.16 0.17 4.36 0.00 -1.18 -2.59 105.19 112.00 3ibb n GLY 418 Ca -0.14 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.74 3ibb n GLY 418 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ibb h GLY 419 N 0.00 0.00 1.31 -0.02 0.00 -1.93 -3.34 103.07 99.09 3ibb h GLY 419 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3ibb h GLY 419 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 176.54 176.87 3ibb h ALA 420 N 1.53 1.89 -0.80 3.60 0.00 -1.88 0.53 119.26 124.14 3ibb h ALA 420 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ibb h ALA 420 Cb 0.96 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3ibb h ALA 420 CO 0.06 0.03 0.34 -0.92 0.00 0.00 0.00 179.25 178.76 3ibb h TYR 421 N 0.45 1.19 -0.54 0.00 3.20 -1.68 -2.45 116.97 117.14 3ibb h TYR 421 Ca 0.21 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3ibb h TYR 421 Cb 0.27 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3ibb h TYR 421 CO -0.00 0.89 0.31 0.00 -1.64 0.00 0.00 178.16 177.73 3ibb h ALA 422 N 1.18 0.69 -0.20 1.82 0.00 -0.16 -3.36 119.26 119.22 3ibb h ALA 422 Ca 0.27 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3ibb h ALA 422 Cb 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ibb h ALA 422 CO -0.03 0.19 -0.27 0.28 0.00 0.00 0.00 179.25 179.43 3ibb h VAL 423 N 0.73 1.33 -2.55 0.00 2.07 -1.07 -3.30 116.25 113.46 3ibb h VAL 423 Ca 0.19 -1.47 -0.57 0.00 0.82 0.00 0.00 66.70 65.67 3ibb h VAL 423 Cb 0.01 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 3ibb h VAL 423 CO -0.03 0.45 0.86 -0.04 0.02 0.00 0.00 177.57 178.82 3ibb s MET 424 N -4.21 3.19 -1.34 1.57 -1.94 -0.95 -4.44 119.30 111.18 3ibb s MET 424 Ca -0.13 -0.41 -0.06 0.00 -1.71 0.00 0.00 55.69 53.38 3ibb s MET 424 Cb 0.07 -4.18 0.04 0.00 2.01 0.00 0.00 34.83 32.77 3ibb s MET 424 CO 0.80 -1.98 0.42 0.41 -0.01 0.00 0.00 175.02 174.66 3ibb n GLY 425 N 5.33 -0.50 3.83 -0.03 0.00 -1.26 -4.88 105.19 107.68 3ibb n GLY 425 Ca 0.01 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3ibb n GLY 425 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ibb s SER 426 N -2.57 5.33 0.53 1.61 0.15 -1.24 -4.66 113.70 112.85 3ibb s SER 426 Ca 0.29 1.45 0.19 0.00 0.70 0.00 0.00 55.95 58.57 3ibb s SER 426 Cb -0.14 -2.31 1.38 0.00 -1.71 0.00 0.00 66.02 63.23 3ibb s SER 426 CO 0.35 -1.45 2.16 0.50 1.20 0.00 0.00 173.24 176.00 3ibb h LYS 427 N -0.73 0.00 -0.51 5.44 3.64 -1.84 -2.78 116.57 119.79 3ibb h LYS 427 Ca -0.45 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 3ibb h LYS 427 Cb 1.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3ibb h LYS 427 CO 0.59 0.01 0.32 0.45 -2.27 0.00 0.00 179.45 178.55 3ibb h HIS 428 N 0.00 0.60 0.00 1.91 3.86 -1.90 0.61 115.15 120.23 3ibb h HIS 428 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3ibb h HIS 428 Cb 0.02 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 3ibb h HIS 428 CO 0.00 0.36 -0.10 -0.07 0.86 0.00 0.00 177.93 178.98 3ibb h LEU 429 N 0.64 0.00 0.00 2.43 -0.00 -1.76 -3.45 115.31 113.17 3ibb h LEU 429 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 3ibb h LEU 429 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 3ibb h LEU 429 CO -0.07 0.10 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 3ibb n GLY 430 N -1.00 0.77 3.76 0.83 0.00 0.21 -4.53 105.19 105.23 3ibb n GLY 430 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3ibb n GLY 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 431 N -1.51 3.56 -0.00 4.61 0.00 -1.19 -4.97 121.76 122.27 3ibb s ALA 431 Ca 0.00 1.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 3ibb s ALA 431 Cb 0.00 -3.53 -0.19 0.00 0.00 0.00 0.00 23.12 19.39 3ibb s ALA 431 CO 0.00 -0.76 1.33 -0.44 0.00 0.00 0.00 175.76 175.90 3ibb h ASP 432 N 3.98 0.03 -3.16 0.00 3.32 -1.65 -3.42 116.42 115.52 3ibb h ASP 432 Ca -0.48 -0.43 -0.60 0.00 0.02 0.00 0.00 57.03 55.54 3ibb h ASP 432 Cb 1.22 -0.01 -0.35 0.00 0.22 0.00 0.00 39.33 40.41 3ibb h ASP 432 CO 0.70 0.45 -0.84 -0.76 -1.72 0.00 0.00 179.24 177.07 3ibb s LEU 433 N -9.34 1.72 -0.19 1.55 1.43 -1.23 -5.00 118.68 107.62 3ibb s LEU 433 Ca -0.15 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 3ibb s LEU 433 Cb 0.02 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 3ibb s LEU 433 CO 0.68 -0.03 -0.08 0.20 0.23 0.00 0.00 176.35 177.35 3ibb s ASN 434 N 1.31 4.09 -0.07 2.29 -0.87 -1.26 -0.54 114.94 119.90 3ibb s ASN 434 Ca 0.01 -0.41 0.05 0.00 -1.57 0.00 0.00 52.86 50.94 3ibb s ASN 434 Cb -0.14 -1.68 -0.00 0.00 -0.02 0.00 0.00 41.25 39.41 3ibb s ASN 434 CO -0.08 0.03 -0.22 -0.76 -2.57 0.00 0.00 177.10 173.49 3ibb s LEU 435 N 1.19 2.02 -0.07 0.60 1.02 0.59 -1.05 118.68 122.98 3ibb s LEU 435 Ca 0.02 -0.49 0.03 0.00 0.02 0.00 0.00 54.13 53.71 3ibb s LEU 435 Cb -0.14 -1.28 0.01 0.00 0.02 0.00 0.00 46.19 44.80 3ibb s LEU 435 CO -0.03 0.18 -0.14 0.00 0.02 0.00 0.00 176.35 176.38 3ibb s ALA 436 N 0.12 1.41 0.58 4.21 0.00 -1.12 0.45 121.76 127.41 3ibb s ALA 436 Ca -0.10 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 3ibb s ALA 436 Cb -0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3ibb s ALA 436 CO 0.05 0.16 1.09 -1.58 0.00 0.00 0.00 175.76 175.49 3ibb s TRP 437 N 0.51 2.78 0.39 0.00 0.51 -0.62 -1.45 118.94 121.07 3ibb s TRP 437 Ca -0.13 1.54 0.06 0.00 -2.12 0.00 0.00 56.10 55.46 3ibb s TRP 437 Cb -0.15 -3.15 0.81 0.00 -0.81 0.00 0.00 33.47 30.17 3ibb s TRP 437 CO 0.04 -1.38 2.03 -1.35 -0.51 0.00 0.00 176.95 175.78 3ibb h PRO 438 N 0.74 0.62 -0.38 4.98 0.11 -1.87 -0.87 132.00 135.33 3ibb h PRO 438 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ibb h PRO 438 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3ibb h PRO 438 CO 0.57 0.41 0.23 1.79 -0.21 0.00 0.00 178.00 180.79 3ibb h THR 439 N 0.64 1.11 -3.48 -1.15 1.35 -1.92 -3.42 112.91 106.04 3ibb h THR 439 Ca 0.20 -0.23 -0.53 0.00 -0.55 0.00 0.00 66.41 65.30 3ibb h THR 439 Cb 0.03 0.57 0.07 0.00 -1.73 0.00 0.00 68.15 67.08 3ibb h THR 439 CO -0.05 0.11 0.77 0.00 -0.25 0.00 0.00 175.52 176.10 3ibb s ALA 440 N -5.43 3.63 -0.11 6.62 0.00 -0.33 -4.82 121.76 121.31 3ibb s ALA 440 Ca -0.08 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3ibb s ALA 440 Cb 0.17 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 3ibb s ALA 440 CO 0.73 -0.79 -0.20 1.14 0.00 0.00 0.00 175.76 176.64 3ibb s GLN 441 N -0.70 3.16 -0.06 0.00 -2.07 0.37 -2.53 119.66 117.83 3ibb s GLN 441 Ca 0.58 -0.81 0.04 0.00 -1.82 0.00 0.00 55.36 53.35 3ibb s GLN 441 Cb -0.43 -2.43 -0.00 0.00 -1.09 0.00 0.00 33.01 29.06 3ibb s GLN 441 CO 0.47 0.17 -0.20 0.42 -1.32 0.00 0.00 175.29 174.83 3ibb s ILE 442 N 0.40 1.65 0.16 3.63 1.09 -1.26 0.11 121.20 126.98 3ibb s ILE 442 Ca -0.15 -0.82 -0.22 0.00 -1.10 0.00 0.00 60.65 58.36 3ibb s ILE 442 Cb -0.17 -1.43 0.06 0.00 -1.06 0.00 0.00 42.46 39.86 3ibb s ILE 442 CO 0.07 0.47 0.58 0.00 -0.10 0.00 0.00 174.94 175.96 3ibb s ALA 443 N 0.16 -1.47 0.06 9.38 0.00 -1.23 -4.63 121.76 124.02 3ibb s ALA 443 Ca -0.09 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 3ibb s ALA 443 Cb -0.14 0.86 -0.15 0.00 0.00 0.00 0.00 23.12 23.69 3ibb s ALA 443 CO 0.04 -0.77 1.56 -0.39 0.00 0.00 0.00 175.76 176.20 3ibb h VAL 444 N 2.05 1.17 -3.75 0.00 -1.51 -1.92 -3.13 116.25 109.17 3ibb h VAL 444 Ca -0.33 -0.50 -0.08 0.00 -1.23 0.00 0.00 66.70 64.56 3ibb h VAL 444 Cb 1.30 1.40 -0.14 0.00 -2.13 0.00 0.00 31.29 31.72 3ibb h VAL 444 CO 0.38 0.14 -0.33 -0.04 -1.23 0.00 0.00 177.57 176.49 3ibb s MET 445 N -5.40 0.87 0.33 5.19 -1.94 -1.26 -3.13 119.30 113.95 3ibb s MET 445 Ca -0.14 -0.91 -0.29 0.00 -1.71 0.00 0.00 55.69 52.63 3ibb s MET 445 Cb 0.05 0.36 -0.11 0.00 2.01 0.00 0.00 34.83 37.13 3ibb s MET 445 CO 0.68 -0.28 1.54 0.41 -0.01 0.00 0.00 175.02 177.36 3ibb n GLY 446 N -0.05 1.26 0.36 -0.03 0.00 -1.26 -4.76 105.19 100.71 3ibb n GLY 446 Ca -0.15 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 3ibb n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb h ALA 447 N 4.02 1.24 -0.83 4.61 0.00 -1.98 0.42 119.26 126.74 3ibb h ALA 447 Ca -0.48 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.35 3ibb h ALA 447 Cb 1.23 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3ibb h ALA 447 CO 0.73 0.64 0.53 0.37 0.00 0.00 0.00 179.25 181.52 3ibb h GLN 448 N 1.24 1.01 0.08 0.00 -0.00 -1.94 -0.70 115.11 114.80 3ibb h GLN 448 Ca 0.32 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.90 3ibb h GLN 448 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.22 3ibb h GLN 448 CO -0.06 0.67 -0.04 0.78 0.00 0.00 0.00 178.83 180.18 3ibb h GLY 449 N 1.04 -0.12 1.40 2.39 0.00 -0.68 -3.32 103.07 103.78 3ibb h GLY 449 Ca 0.33 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.62 3ibb h GLY 449 CO -0.12 -0.04 -0.13 0.00 0.00 0.00 0.00 176.54 176.25 3ibb h ALA 450 N 0.50 1.04 -0.72 3.60 0.00 0.65 -2.62 119.26 121.71 3ibb h ALA 450 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ibb h ALA 450 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ibb h ALA 450 CO 0.02 0.58 0.40 -0.39 0.00 0.00 0.00 179.25 179.86 3ibb h VAL 451 N 0.64 1.21 -0.07 0.00 -1.51 -1.36 -1.89 116.25 113.28 3ibb h VAL 451 Ca 0.11 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3ibb h VAL 451 Cb 0.58 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 29.97 3ibb h VAL 451 CO 0.04 0.23 0.04 0.78 -1.23 0.00 0.00 177.57 177.44 3ibb h ASN 452 N 1.00 0.08 -0.40 4.19 2.35 -1.56 -1.11 115.58 120.12 3ibb h ASN 452 Ca 0.26 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3ibb h ASN 452 Cb 0.01 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3ibb h ASN 452 CO -0.04 0.06 -0.16 0.40 -1.65 0.00 0.00 177.43 176.04 3ibb h ILE 453 N 0.09 1.28 -0.28 2.81 2.04 -1.60 -1.81 117.51 120.02 3ibb h ILE 453 Ca 0.02 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 3ibb h ILE 453 Cb -0.01 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3ibb h ILE 453 CO -0.01 0.43 -0.12 -0.07 0.00 0.00 0.00 178.15 178.38 3ibb h LEU 454 N 0.62 0.46 -2.70 1.44 3.38 -1.14 -3.35 115.31 114.03 3ibb h LEU 454 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ibb h LEU 454 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3ibb h LEU 454 CO 0.05 0.62 -0.10 1.41 0.09 0.00 0.00 178.44 180.51 3ibb n HIS 455 N -4.21 0.00 0.02 1.13 8.25 -0.44 -4.66 115.22 115.31 3ibb n HIS 455 Ca 0.01 -0.68 0.07 0.00 -0.26 0.00 0.00 57.72 56.86 3ibb n HIS 455 Cb 0.32 -0.11 0.49 0.00 1.12 0.00 0.00 29.99 31.81 3ibb n HIS 455 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3ibb h ARG 456 N 0.00 0.40 0.14 -0.41 2.43 -1.46 0.24 114.38 115.71 3ibb h ARG 456 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3ibb h ARG 456 Cb 1.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3ibb h ARG 456 CO 0.00 0.26 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.57 3ibb h ARG 457 N 0.41 -0.18 -0.24 0.20 2.43 -1.83 -3.07 114.38 112.11 3ibb h ARG 457 Ca 0.16 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 3ibb h ARG 457 Cb 0.14 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3ibb h ARG 457 CO -0.04 -0.02 -0.39 1.15 -1.51 0.00 0.00 179.97 179.17 3ibb h THR 458 N -0.30 1.31 -0.85 0.20 2.02 -0.91 -2.87 112.91 111.51 3ibb h THR 458 Ca -0.02 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.58 3ibb h THR 458 Cb 0.24 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3ibb h THR 458 CO 0.03 0.50 0.57 0.40 0.37 0.00 0.00 175.52 177.39 3ibb h ILE 459 N 0.40 1.21 -0.55 3.11 1.08 -1.47 0.16 117.51 121.45 3ibb h ILE 459 Ca 0.02 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3ibb h ILE 459 Cb 0.98 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3ibb h ILE 459 CO 0.09 0.21 0.24 0.00 -0.69 0.00 0.00 178.15 178.00 3ibb h ALA 460 N 1.47 0.72 -2.71 1.87 0.00 -1.62 -3.43 119.26 115.55 3ibb h ALA 460 Ca 0.31 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.55 3ibb h ALA 460 Cb -0.12 -0.22 0.05 0.00 0.00 0.00 0.00 17.79 17.50 3ibb h ALA 460 CO -0.07 0.31 0.73 -0.51 0.00 0.00 0.00 179.25 179.71 3ibb s ASP 461 N -6.00 6.74 -0.20 0.00 1.01 0.04 -3.49 116.67 114.77 3ibb s ASP 461 Ca -0.13 2.57 -0.01 0.00 0.71 0.00 0.00 52.55 55.69 3ibb s ASP 461 Cb 0.12 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3ibb s ASP 461 CO 0.78 -0.65 0.16 0.00 0.21 0.00 0.00 175.17 175.68 3ibb n ALA 462 N 2.53 -0.18 -0.80 5.23 0.00 -1.26 -4.74 120.51 121.29 3ibb n ALA 462 Ca 0.07 0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 3ibb n ALA 462 Cb 0.41 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 3ibb n ALA 462 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ibb n GLY 463 N -0.74 2.92 3.18 0.00 0.00 -1.23 -3.07 105.19 106.26 3ibb n GLY 463 Ca -0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 3ibb n GLY 463 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ibb s ASP 464 N 2.68 -0.35 0.00 1.61 1.11 -1.26 -4.84 116.67 115.63 3ibb s ASP 464 Ca 0.47 0.65 0.00 0.00 0.18 0.00 0.00 52.55 53.86 3ibb s ASP 464 Cb 0.17 0.61 0.00 0.00 1.07 0.00 0.00 42.92 44.77 3ibb s ASP 464 CO -0.02 -0.14 0.00 0.47 1.18 0.00 0.00 175.17 176.66 3ibb n ASP 465 N 3.43 0.00 -0.18 0.27 8.00 -1.25 -4.82 116.55 121.99 3ibb n ASP 465 Ca -0.17 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 3ibb n ASP 465 Cb 0.56 -0.86 0.01 0.00 -0.02 0.00 0.00 41.12 40.81 3ibb n ASP 465 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibb h ALA 466 N 0.00 0.70 -0.34 2.24 0.00 -1.82 -3.31 119.26 116.72 3ibb h ALA 466 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ibb h ALA 466 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ibb h ALA 466 CO 0.00 0.43 0.16 0.93 0.00 0.00 0.00 179.25 180.77 3ibb h GLU 467 N 0.75 0.49 -0.24 0.00 3.07 -1.87 -1.18 114.58 115.59 3ibb h GLU 467 Ca 0.16 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3ibb h GLU 467 Cb 0.39 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3ibb h GLU 467 CO 0.01 0.45 -0.01 0.00 -1.40 0.00 0.00 179.01 178.06 3ibb h ALA 468 N 1.01 1.53 -0.50 3.43 0.00 -1.99 -1.96 119.26 120.79 3ibb h ALA 468 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ibb h ALA 468 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ibb h ALA 468 CO -0.01 0.34 0.24 1.15 0.00 0.00 0.00 179.25 180.97 3ibb h THR 469 N 0.35 1.17 -0.32 0.00 2.02 -1.31 -2.94 112.91 111.87 3ibb h THR 469 Ca 0.08 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3ibb h THR 469 Cb 0.26 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3ibb h THR 469 CO 0.01 0.19 0.07 -0.09 0.37 0.00 0.00 175.52 176.07 3ibb h ARG 470 N 0.70 0.51 -0.33 6.66 2.43 -1.00 0.17 114.38 123.52 3ibb h ARG 470 Ca 0.18 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3ibb h ARG 470 Cb 0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3ibb h ARG 470 CO -0.02 0.58 0.03 0.00 -1.51 0.00 0.00 179.97 179.04 3ibb h ALA 471 N 0.91 0.44 -0.61 2.80 0.00 -1.64 -2.51 119.26 118.65 3ibb h ALA 471 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ibb h ALA 471 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ibb h ALA 471 CO 0.00 0.17 0.25 -0.09 0.00 0.00 0.00 179.25 179.58 3ibb h ARG 472 N 0.39 0.90 -0.47 0.00 2.43 -1.45 0.20 114.38 116.38 3ibb h ARG 472 Ca 0.10 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3ibb h ARG 472 Cb 0.40 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ibb h ARG 472 CO 0.01 0.73 0.13 1.25 -1.51 0.00 0.00 179.97 180.59 3ibb h LEU 473 N 0.88 0.64 -0.95 3.80 6.46 -0.76 -2.78 115.31 122.60 3ibb h LEU 473 Ca 0.21 -0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3ibb h LEU 473 Cb 0.17 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 3ibb h LEU 473 CO -0.02 0.62 0.62 0.40 -0.62 0.00 0.00 178.44 179.44 3ibb h ILE 474 N 0.68 1.18 -0.20 4.05 2.04 -0.18 0.74 117.51 125.82 3ibb h ILE 474 Ca 0.16 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3ibb h ILE 474 Cb 0.22 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 3ibb h ILE 474 CO -0.01 0.22 -0.12 -0.61 0.00 0.00 0.00 178.15 177.64 3ibb h GLN 475 N 1.21 0.32 -0.36 2.37 -0.00 -0.94 -1.80 115.11 115.92 3ibb h GLN 475 Ca 0.37 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 3ibb h GLN 475 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 3ibb h GLN 475 CO -0.11 0.45 0.23 0.93 0.00 0.00 0.00 178.83 180.33 3ibb h GLU 476 N 0.30 0.47 -0.19 1.69 5.08 0.55 -1.67 114.58 120.82 3ibb h GLU 476 Ca 0.06 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3ibb h GLU 476 Cb 0.40 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ibb h GLU 476 CO 0.02 0.32 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.22 3ibb h TYR 477 N 0.48 0.57 -0.61 4.33 5.03 -1.12 -3.06 116.97 122.59 3ibb h TYR 477 Ca 0.13 -0.18 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 3ibb h TYR 477 Cb -0.05 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 3ibb h TYR 477 CO -0.05 0.85 0.29 1.05 -1.32 0.00 0.00 178.16 178.98 3ibb h GLU 478 N 0.13 0.87 0.13 1.82 4.11 -1.40 -0.22 114.58 120.03 3ibb h GLU 478 Ca 0.03 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 3ibb h GLU 478 Cb 0.76 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ibb h GLU 478 CO 0.05 0.70 -0.06 -0.44 0.07 0.00 0.00 179.01 179.33 3ibb h ASP 479 N 0.83 -0.14 -0.12 3.06 5.19 -1.40 -2.67 116.42 121.17 3ibb h ASP 479 Ca 0.21 -0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.48 3ibb h ASP 479 Cb 0.12 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 3ibb h ASP 479 CO -0.03 -0.00 -0.13 0.00 -3.12 0.00 0.00 179.24 175.96 3ibb h ALA 480 N 0.58 0.17 -0.24 3.45 0.00 -1.60 -3.41 119.26 118.22 3ibb h ALA 480 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ibb h ALA 480 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ibb h ALA 480 CO 0.03 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.61 3ibb n LEU 481 N -4.59 2.91 -3.00 0.00 7.99 -0.09 -4.70 117.00 115.51 3ibb n LEU 481 Ca -0.07 -1.39 -0.25 0.00 -0.01 0.00 0.00 56.01 54.29 3ibb n LEU 481 Cb 0.36 -0.15 -0.04 0.00 -0.11 0.00 0.00 43.42 43.48 3ibb n LEU 481 CO 0.38 0.61 0.08 -0.11 -1.51 0.00 0.00 177.39 176.85 3ibb n LEU 482 N 1.08 3.83 -3.70 2.23 7.94 -1.01 -4.75 117.00 122.63 3ibb n LEU 482 Ca 0.14 -5.56 -0.09 0.00 -1.11 0.00 0.00 56.01 49.39 3ibb n LEU 482 Cb 0.49 -0.34 -0.02 0.00 0.53 0.00 0.00 43.42 44.08 3ibb n LEU 482 CO 0.12 2.34 0.46 0.54 -1.11 0.00 0.00 177.39 179.73 3ibb s ASN 483 N -3.25 -0.37 0.33 1.96 4.22 -1.26 -4.72 114.94 111.84 3ibb s ASN 483 Ca 0.47 -0.38 0.01 0.00 -2.14 0.00 0.00 52.86 50.82 3ibb s ASN 483 Cb 0.29 0.67 0.56 0.00 1.28 0.00 0.00 41.25 44.05 3ibb s ASN 483 CO -0.13 -1.19 1.95 1.55 -2.04 0.00 0.00 177.10 177.25 3ibb h PRO 484 N 2.00 0.83 -0.98 3.55 0.13 -1.73 -3.29 132.00 132.51 3ibb h PRO 484 Ca -0.25 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 3ibb h PRO 484 Cb 1.27 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 3ibb h PRO 484 CO 0.28 0.61 0.65 1.88 -0.23 0.00 0.00 178.00 181.20 3ibb h TYR 485 N 0.84 1.23 -0.92 1.56 0.05 -1.96 0.27 116.97 118.03 3ibb h TYR 485 Ca 0.21 0.03 0.17 0.00 0.05 0.00 0.00 58.73 59.19 3ibb h TYR 485 Cb 0.03 -0.41 -0.10 0.00 1.01 0.00 0.00 36.73 37.25 3ibb h TYR 485 CO 0.01 0.76 0.51 1.15 -1.05 0.00 0.00 178.16 179.53 3ibb h THR 486 N 1.31 0.71 -0.24 -2.88 2.02 -1.93 2.62 112.91 114.52 3ibb h THR 486 Ca 0.37 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3ibb h THR 486 Cb -0.11 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 3ibb h THR 486 CO -0.09 0.12 -0.02 0.00 0.37 0.00 0.00 175.52 175.90 3ibb h ALA 487 N 1.61 0.32 -0.53 6.16 0.00 -1.48 -3.35 119.26 121.99 3ibb h ALA 487 Ca 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3ibb h ALA 487 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3ibb h ALA 487 CO -0.38 0.07 0.22 0.00 0.00 0.00 0.00 179.25 179.16 3ibb h ALA 488 N 0.78 1.40 -0.48 0.00 0.00 0.43 -2.32 119.26 119.07 3ibb h ALA 488 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ibb h ALA 488 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 488 CO 0.02 0.46 0.26 0.93 0.00 0.00 0.00 179.25 180.92 3ibb h GLU 489 N 0.75 0.65 0.00 0.00 5.08 0.39 2.98 114.58 124.44 3ibb h GLU 489 Ca 0.18 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3ibb h GLU 489 Cb 0.13 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ibb h GLU 489 CO -0.02 0.48 -0.14 0.00 -1.00 0.00 0.00 179.01 178.33 3ibb h ARG 490 N 0.66 0.00 0.00 2.33 3.08 -1.67 -3.47 114.38 115.31 3ibb h ARG 490 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3ibb h ARG 490 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ibb h ARG 490 CO -0.03 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 3ibb n GLY 491 N 0.06 0.48 0.36 0.04 0.00 1.00 -4.96 105.19 102.17 3ibb n GLY 491 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3ibb n GLY 491 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ibb h TYR 492 N 0.00 0.03 -3.36 1.61 0.05 -1.57 -3.30 116.97 110.44 3ibb h TYR 492 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 3ibb h TYR 492 Cb 0.00 -0.01 -0.23 0.00 1.01 0.00 0.00 36.73 37.50 3ibb h TYR 492 CO 0.00 0.01 -0.67 0.08 -1.05 0.00 0.00 178.16 176.53 3ibb s VAL 493 N -5.05 3.82 0.19 -2.88 1.01 -1.25 -4.72 120.40 111.52 3ibb s VAL 493 Ca -0.05 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3ibb s VAL 493 Cb 0.19 -2.70 0.10 0.00 0.00 0.00 0.00 36.38 33.98 3ibb s VAL 493 CO 0.72 0.47 1.81 0.44 0.00 0.00 0.00 175.10 178.54 3ibb h ASP 494 N 7.10 0.78 -4.99 3.32 3.45 -1.17 -3.44 116.42 121.47 3ibb h ASP 494 Ca -0.33 -0.08 -0.14 0.00 0.43 0.00 0.00 57.03 56.91 3ibb h ASP 494 Cb 1.19 -0.20 -0.20 0.00 -0.56 0.00 0.00 39.33 39.55 3ibb h ASP 494 CO 0.62 0.63 -0.50 0.00 -1.57 0.00 0.00 179.24 178.42 3ibb s ALA 495 N -5.92 -0.29 -0.17 3.45 0.00 -1.06 -5.02 121.76 112.74 3ibb s ALA 495 Ca -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3ibb s ALA 495 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3ibb s ALA 495 CO 0.78 -0.22 -0.14 0.08 0.00 0.00 0.00 175.76 176.26 3ibb s VAL 496 N -1.49 2.73 0.17 0.00 1.01 -1.26 -2.78 120.40 118.77 3ibb s VAL 496 Ca -0.14 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3ibb s VAL 496 Cb -0.07 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3ibb s VAL 496 CO 0.01 0.50 -0.12 0.27 0.00 0.00 0.00 175.10 175.76 3ibb s ILE 497 N 1.04 1.39 0.50 2.22 -5.25 -0.53 -4.97 121.20 115.60 3ibb s ILE 497 Ca -0.01 -2.10 -0.22 0.00 -0.99 0.00 0.00 60.65 57.33 3ibb s ILE 497 Cb -0.15 -1.91 -0.06 0.00 2.95 0.00 0.00 42.46 43.30 3ibb s ILE 497 CO -0.03 -0.67 1.27 -0.32 -1.79 0.00 0.00 174.94 173.40 3ibb s MET 498 N -3.65 3.43 0.28 0.37 -2.45 -1.26 -4.27 119.30 111.76 3ibb s MET 498 Ca 0.18 2.03 -0.02 0.00 -1.25 0.00 0.00 55.69 56.64 3ibb s MET 498 Cb 0.01 -2.34 0.41 0.00 1.25 0.00 0.00 34.83 34.16 3ibb s MET 498 CO 0.03 -0.89 1.88 -1.35 1.05 0.00 0.00 175.02 175.74 3ibb h PRO 499 N 1.75 0.96 -0.26 4.11 0.11 -1.94 1.04 132.00 137.77 3ibb h PRO 499 Ca -0.50 -0.13 0.04 0.00 0.11 0.00 0.00 66.00 65.51 3ibb h PRO 499 Cb 1.28 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ibb h PRO 499 CO 0.59 0.75 0.18 0.66 -0.21 0.00 0.00 178.00 179.96 3ibb h SER 500 N 0.95 0.18 -0.01 -2.05 4.64 -1.83 -2.34 113.55 113.09 3ibb h SER 500 Ca 0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3ibb h SER 500 Cb 0.11 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3ibb h SER 500 CO -0.03 0.12 0.03 -0.78 -0.87 0.00 0.00 176.83 175.30 3ibb h ASP 501 N 0.20 0.00 -0.40 4.97 3.58 0.84 -3.03 116.42 122.58 3ibb h ASP 501 Ca 0.11 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3ibb h ASP 501 Cb 0.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3ibb h ASP 501 CO -0.02 0.00 0.16 0.74 -2.88 0.00 0.00 179.24 177.24 3ibb h THR 502 N 0.00 1.18 -0.77 2.25 2.02 -1.50 0.99 112.91 117.07 3ibb h THR 502 Ca 0.01 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3ibb h THR 502 Cb 0.07 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3ibb h THR 502 CO -0.00 0.22 0.47 -0.09 0.37 0.00 0.00 175.52 176.49 3ibb h ARG 503 N 0.65 1.04 -0.55 6.66 2.43 -1.78 -1.94 114.38 120.89 3ibb h ARG 503 Ca 0.16 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3ibb h ARG 503 Cb 0.16 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3ibb h ARG 503 CO -0.01 0.73 0.20 -0.09 -1.51 0.00 0.00 179.97 179.29 3ibb h ARG 504 N 1.06 0.84 -0.71 0.20 2.43 0.80 -2.11 114.38 116.90 3ibb h ARG 504 Ca 0.28 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3ibb h ARG 504 Cb -0.05 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3ibb h ARG 504 CO -0.05 0.74 0.41 0.45 -1.51 0.00 0.00 179.97 180.01 3ibb h HIS 505 N 0.76 0.95 -0.40 2.20 3.86 -1.29 -2.97 115.15 118.27 3ibb h HIS 505 Ca 0.18 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3ibb h HIS 505 Cb 0.23 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3ibb h HIS 505 CO 0.01 0.66 0.12 0.82 0.86 0.00 0.00 177.93 180.40 3ibb h ILE 506 N 0.97 1.22 -0.02 2.45 1.08 -0.70 -0.73 117.51 121.77 3ibb h ILE 506 Ca 0.25 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3ibb h ILE 506 Cb 0.01 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3ibb h ILE 506 CO -0.04 0.25 -0.00 0.58 -0.69 0.00 0.00 178.15 178.25 3ibb h VAL 507 N 0.50 1.27 -0.53 1.67 2.07 -1.46 -2.48 116.25 117.29 3ibb h VAL 507 Ca 0.13 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 3ibb h VAL 507 Cb 0.26 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3ibb h VAL 507 CO -0.00 0.21 0.07 0.03 0.02 0.00 0.00 177.57 177.90 3ibb h ARG 508 N -0.29 0.84 -0.27 1.57 2.47 -1.57 -2.59 114.38 114.53 3ibb h ARG 508 Ca 0.01 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 3ibb h ARG 508 Cb 0.35 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3ibb h ARG 508 CO 0.00 0.80 0.16 0.78 0.56 0.00 0.00 179.97 182.27 3ibb h GLY 509 N 0.98 0.39 1.08 0.04 0.00 -1.19 -1.96 103.07 102.41 3ibb h GLY 509 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3ibb h GLY 509 CO 0.01 0.16 0.32 1.41 0.00 0.00 0.00 176.54 178.43 3ibb h LEU 510 N 0.34 1.08 -0.38 3.11 3.38 -1.39 -1.21 115.31 120.25 3ibb h LEU 510 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ibb h LEU 510 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ibb h LEU 510 CO -0.02 0.96 0.19 0.03 0.09 0.00 0.00 178.44 179.69 3ibb h ARG 511 N 1.14 0.53 -0.10 1.13 3.08 -0.97 0.72 114.38 119.92 3ibb h ARG 511 Ca 0.26 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3ibb h ARG 511 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3ibb h ARG 511 CO -0.02 0.45 -0.01 1.96 -1.07 0.00 0.00 179.97 181.28 3ibb h GLN 512 N 0.47 0.19 0.00 0.04 1.08 -1.13 -3.22 115.11 112.54 3ibb h GLN 512 Ca 0.13 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3ibb h GLN 512 Cb 0.09 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3ibb h GLN 512 CO -0.02 0.47 0.00 1.28 -0.95 0.00 0.00 178.83 179.61 3ibb n LEU 513 N -4.79 0.00 -0.19 1.46 4.32 -0.48 -3.94 117.00 113.38 3ibb n LEU 513 Ca -0.06 0.48 -0.02 0.00 -0.02 0.00 0.00 56.01 56.38 3ibb n LEU 513 Cb 0.22 -0.48 0.08 0.00 -1.62 0.00 0.00 43.42 41.62 3ibb n LEU 513 CO 0.35 -0.25 1.02 -0.09 -1.22 0.00 0.00 177.39 177.21 3ibb h ARG 514 N 0.00 0.49 -5.63 3.23 2.43 -0.88 0.53 114.38 114.55 3ibb h ARG 514 Ca 0.00 -0.03 -0.63 0.00 -0.81 0.00 0.00 59.98 58.51 3ibb h ARG 514 Cb 0.23 -0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 29.53 3ibb h ARG 514 CO 0.00 0.32 0.38 0.95 -1.51 0.00 0.00 179.97 180.12 3ibb s THR 515 N -6.11 4.57 0.04 0.20 -4.23 -1.25 -5.00 115.64 103.87 3ibb s THR 515 Ca -0.13 0.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 3ibb s THR 515 Cb 0.16 -4.42 -0.03 0.00 1.34 0.00 0.00 72.50 69.55 3ibb s THR 515 CO 0.74 -0.93 -0.23 -0.54 -0.54 0.00 0.00 174.62 173.13 3ibb s LYS 516 N 3.46 1.54 0.01 3.99 1.02 0.19 -5.05 119.74 124.89 3ibb s LYS 516 Ca 0.27 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 3ibb s LYS 516 Cb -0.14 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 3ibb s LYS 516 CO 0.18 0.43 0.15 -0.98 -0.92 0.00 0.00 175.35 174.21 3ibb s ARG 517 N -1.17 0.54 0.09 1.68 1.70 -1.26 -4.95 118.95 115.59 3ibb s ARG 517 Ca 0.09 -0.47 -0.18 0.00 -0.47 0.00 0.00 55.73 54.69 3ibb s ARG 517 Cb -0.09 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.56 3ibb s ARG 517 CO 0.02 -0.14 0.45 -1.21 -1.08 0.00 0.00 175.30 173.34 3ibb s GLU 518 N -1.74 1.05 0.13 3.89 2.02 -1.26 -5.16 118.70 117.63 3ibb s GLU 518 Ca -0.12 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.41 3ibb s GLU 518 Cb -0.06 0.47 -0.04 0.00 0.10 0.00 0.00 34.13 34.60 3ibb s GLU 518 CO 0.00 -0.40 -0.12 0.45 0.02 0.00 0.00 175.26 175.21 3ibb s SER 519 N -2.45 1.92 0.21 -0.19 0.15 -1.26 -5.07 113.70 107.01 3ibb s SER 519 Ca -0.01 -0.89 -0.18 0.00 0.70 0.00 0.00 55.95 55.58 3ibb s SER 519 Cb 0.00 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 3ibb s SER 519 CO -0.08 -0.21 0.55 -0.22 1.20 0.00 0.00 173.24 174.48 3ibb s LEU 520 N -2.74 0.02 0.31 3.45 2.96 -1.26 -5.15 118.68 116.28 3ibb s LEU 520 Ca 0.12 -0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 53.21 3ibb s LEU 520 Cb -0.02 2.21 -0.11 0.00 0.50 0.00 0.00 46.19 48.78 3ibb s LEU 520 CO 0.02 -1.11 1.43 -2.84 -1.32 0.00 0.00 176.35 172.54 3ibb s PRO 521 N -3.89 4.23 0.19 0.98 0.02 -1.26 -4.95 135.00 130.32 3ibb s PRO 521 Ca 0.11 2.39 -0.31 0.00 0.02 0.00 0.00 61.00 63.21 3ibb s PRO 521 Cb -0.02 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.36 3ibb s PRO 521 CO -0.00 -0.41 1.41 -1.25 -0.33 0.00 0.00 177.00 176.42 3ibb s PRO 522 N -1.28 4.31 0.01 5.54 0.04 -1.26 -5.01 135.00 137.35 3ibb s PRO 522 Ca 0.55 2.18 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 3ibb s PRO 522 Cb -0.43 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 30.95 3ibb s PRO 522 CO 0.52 -0.40 0.27 -1.59 0.04 0.00 0.00 177.00 175.84 3ibb s LYS 523 N 0.30 0.69 0.13 4.56 -2.85 -1.26 -5.06 119.74 116.24 3ibb s LYS 523 Ca 0.61 -0.37 -0.16 0.00 -1.00 0.00 0.00 55.97 55.05 3ibb s LYS 523 Cb -0.39 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.66 3ibb s LYS 523 CO 0.37 -0.20 1.66 0.87 0.10 0.00 0.00 175.35 178.15 3ibb h LYS 524 N 3.66 0.56 -3.13 1.78 1.57 -2.06 -3.47 116.57 115.48 3ibb h LYS 524 Ca -0.31 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.40 3ibb h LYS 524 Cb 1.19 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 3ibb h LYS 524 CO 0.43 0.55 0.16 -3.38 -0.57 0.00 0.00 179.45 176.64 3ibb s HIS 525 N -5.50 -0.06 -0.12 -1.35 -3.43 -1.26 -5.16 115.29 98.41 3ibb s HIS 525 Ca -0.13 -0.39 0.01 0.00 -0.80 0.00 0.00 55.06 53.75 3ibb s HIS 525 Cb 0.10 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.85 3ibb s HIS 525 CO 0.75 -1.21 -0.16 0.20 -2.00 0.00 0.00 174.74 172.31 3ibb s GLY 526 N -2.95 1.48 -1.35 -1.38 0.00 -1.26 -5.04 107.32 96.82 3ibb s GLY 526 Ca 0.14 -0.92 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 3ibb s GLY 526 CO 0.08 -0.27 1.97 -2.01 0.00 0.00 0.00 173.10 172.87 3ibb n ASN 527 N 3.45 4.58 -4.75 1.64 4.05 -1.26 -4.93 115.26 118.05 3ibb n ASN 527 Ca -0.18 -2.96 -0.42 0.00 0.45 0.00 0.00 54.58 51.47 3ibb n ASN 527 Cb 0.53 -1.59 -0.02 0.00 1.23 0.00 0.00 39.78 39.93 3ibb n ASN 527 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 3ibb s ILE 528 N 2.11 2.04 0.31 -1.44 2.07 -1.26 -4.94 121.20 120.09 3ibb s ILE 528 Ca 0.45 0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 59.43 3ibb s ILE 528 Cb 0.10 -3.02 -0.11 0.00 0.13 0.00 0.00 42.46 39.56 3ibb s ILE 528 CO -0.03 0.00 1.43 -2.84 -1.91 0.00 0.00 174.94 171.60 3ibb s PRO 529 N -0.25 4.24 0.00 3.50 0.02 -1.26 -5.15 135.00 136.10 3ibb s PRO 529 Ca 0.65 2.38 0.03 0.00 0.02 0.00 0.00 61.00 64.08 3ibb s PRO 529 Cb -0.48 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.01 3ibb s PRO 529 CO 0.46 -0.40 0.61 1.28 -0.33 0.00 0.00 177.00 178.61