#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 0.42 0.24 5.18 0.13 -1.26 -4.61 119.36 119.46 3ibb n ILE 11 Ca 0.00 0.14 0.08 0.00 -1.10 0.00 0.00 62.75 61.87 3ibb n ILE 11 Cb 0.00 -1.18 0.60 0.00 -0.84 0.00 0.00 39.64 38.22 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 0.00 -4.12 9.51 3.86 -2.02 -3.32 115.15 119.06 3ibb h HIS 12 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 3ibb h HIS 12 Cb 0.32 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.81 3ibb h HIS 12 CO 0.00 0.12 0.37 0.95 0.86 0.00 0.00 177.93 180.23 3ibb s THR 13 N -4.68 4.06 0.25 2.45 -4.23 -1.26 -4.87 115.64 107.37 3ibb s THR 13 Ca -0.04 1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 3ibb s THR 13 Cb 0.16 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.63 3ibb s THR 13 CO 0.66 -0.40 1.80 0.74 -0.54 0.00 0.00 174.62 176.88 3ibb h THR 14 N 1.28 1.24 -0.94 3.99 2.02 -2.00 -0.89 112.91 117.61 3ibb h THR 14 Ca -0.48 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 65.86 3ibb h THR 14 Cb 1.20 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 3ibb h THR 14 CO 0.60 0.32 0.62 0.00 0.37 0.00 0.00 175.52 177.43 3ibb h ALA 15 N 1.27 1.20 -0.55 6.16 0.00 -1.93 -2.89 119.26 122.52 3ibb h ALA 15 Ca 0.20 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 15 Cb 0.29 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 15 CO -0.00 0.58 -0.05 0.78 0.00 0.00 0.00 179.25 180.55 3ibb h GLY 16 N 1.27 1.07 0.84 0.00 0.00 -1.47 -3.16 103.07 101.62 3ibb h GLY 16 Ca 0.35 -0.81 0.03 0.00 0.00 0.00 0.00 47.33 46.90 3ibb h GLY 16 CO -0.08 0.75 0.33 0.50 0.00 0.00 0.00 176.54 178.03 3ibb h LYS 17 N 0.90 0.62 -0.80 4.80 1.79 -1.01 -1.82 116.57 121.06 3ibb h LYS 17 Ca 0.15 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 3ibb h LYS 17 Cb 0.60 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 3ibb h LYS 17 CO 0.04 0.41 0.33 -0.07 -1.08 0.00 0.00 179.45 179.08 3ibb h LEU 18 N 0.64 1.09 -0.78 2.94 3.38 -1.50 0.80 115.31 121.88 3ibb h LEU 18 Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ibb h LEU 18 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3ibb h LEU 18 CO -0.11 0.96 0.31 0.00 0.09 0.00 0.00 178.44 179.69 3ibb h ALA 19 N 1.20 1.02 -0.42 1.53 0.00 -1.40 -2.14 119.26 119.05 3ibb h ALA 19 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 19 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ibb h ALA 19 CO -0.02 0.64 0.13 0.22 0.00 0.00 0.00 179.25 180.22 3ibb h ASP 20 N 1.14 0.55 -0.89 0.00 3.58 -0.29 -0.02 116.42 120.48 3ibb h ASP 20 Ca 0.26 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 3ibb h ASP 20 Cb 0.22 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 3ibb h ASP 20 CO -0.02 0.53 0.48 0.25 -2.88 0.00 0.00 179.24 177.60 3ibb h LEU 21 N 0.60 1.12 -0.96 2.28 5.85 -0.62 -0.84 115.31 122.74 3ibb h LEU 21 Ca 0.14 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3ibb h LEU 21 Cb 0.18 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3ibb h LEU 21 CO -0.01 0.91 0.37 -0.09 -0.34 0.00 0.00 178.44 179.28 3ibb h ARG 22 N 1.25 1.11 -0.42 1.25 2.43 -0.44 -2.75 114.38 116.81 3ibb h ARG 22 Ca 0.31 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3ibb h ARG 22 Cb 0.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3ibb h ARG 22 CO -0.05 0.86 0.06 -0.09 -1.51 0.00 0.00 179.97 179.24 3ibb h ARG 23 N 1.10 0.69 -0.46 0.20 2.43 -0.24 -2.74 114.38 115.36 3ibb h ARG 23 Ca 0.27 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3ibb h ARG 23 Cb 0.11 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3ibb h ARG 23 CO -0.03 0.73 0.09 0.00 -1.51 0.00 0.00 179.97 179.25 3ibb h ARG 24 N 0.55 0.70 -0.91 0.20 2.47 -1.18 -2.96 114.38 113.24 3ibb h ARG 24 Ca 0.13 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3ibb h ARG 24 Cb 0.38 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 3ibb h ARG 24 CO 0.01 0.65 0.52 0.82 0.56 0.00 0.00 179.97 182.53 3ibb h ILE 25 N 0.68 1.26 -0.85 2.04 2.04 -1.42 0.29 117.51 121.55 3ibb h ILE 25 Ca 0.15 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3ibb h ILE 25 Cb 0.28 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3ibb h ILE 25 CO 0.00 0.29 0.40 -0.08 0.00 0.00 0.00 178.15 178.76 3ibb h GLU 26 N 1.27 1.22 -0.32 2.37 4.57 -1.32 -2.23 114.58 120.13 3ibb h GLU 26 Ca 0.32 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3ibb h GLU 26 Cb 0.00 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3ibb h GLU 26 CO -0.05 0.94 0.07 0.93 -1.18 0.00 0.00 179.01 179.72 3ibb h GLU 27 N 1.21 0.52 -0.50 1.92 5.08 -1.12 -2.47 114.58 119.22 3ibb h GLU 27 Ca 0.29 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3ibb h GLU 27 Cb 0.13 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3ibb h GLU 27 CO -0.04 0.59 -0.05 0.00 -1.00 0.00 0.00 179.01 178.52 3ibb h ALA 28 N 0.91 0.97 -0.27 3.43 0.00 -0.40 -0.87 119.26 123.03 3ibb h ALA 28 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ibb h ALA 28 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ibb h ALA 28 CO 0.00 0.62 0.16 1.79 0.00 0.00 0.00 179.25 181.82 3ibb h THR 29 N 0.80 1.10 -0.45 0.00 1.35 -1.49 -3.34 112.91 110.88 3ibb h THR 29 Ca 0.14 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3ibb h THR 29 Cb 0.55 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3ibb h THR 29 CO 0.03 0.09 0.00 1.41 -0.25 0.00 0.00 175.52 176.80 3ibb n HIS 30 N -4.87 1.64 -0.21 4.73 8.25 -0.93 -4.69 115.22 119.14 3ibb n HIS 30 Ca -0.02 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 3ibb n HIS 30 Cb 0.05 -0.43 0.24 0.00 1.12 0.00 0.00 29.99 30.97 3ibb n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibb h ALA 31 N 3.15 1.45 -2.79 -1.41 0.00 -1.28 -3.44 119.26 114.94 3ibb h ALA 31 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 3ibb h ALA 31 Cb 1.77 -0.30 0.11 0.00 0.00 0.00 0.00 17.79 19.38 3ibb h ALA 31 CO 0.39 0.50 0.66 0.41 0.00 0.00 0.00 179.25 181.20 3ibb n GLY 32 N -1.38 0.93 3.69 0.00 0.00 -1.26 -4.59 105.19 102.58 3ibb n GLY 32 Ca 0.08 0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 3ibb n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ibb n SER 33 N 0.47 3.52 0.01 1.61 2.88 -1.26 -4.71 113.62 116.15 3ibb n SER 33 Ca 0.03 1.06 0.03 0.00 -1.33 0.00 0.00 58.87 58.66 3ibb n SER 33 Cb 0.38 -1.49 0.38 0.00 -0.75 0.00 0.00 64.21 62.74 3ibb n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ibb h ALA 34 N 6.55 1.59 -0.42 -1.46 0.00 -1.85 -1.16 119.26 122.51 3ibb h ALA 34 Ca -0.44 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3ibb h ALA 34 Cb 1.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3ibb h ALA 34 CO 0.92 0.33 0.07 -0.09 0.00 0.00 0.00 179.25 180.48 3ibb h ARG 35 N 0.50 0.63 -0.24 0.00 9.65 -1.98 -3.14 114.38 119.81 3ibb h ARG 35 Ca 0.13 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3ibb h ARG 35 Cb 0.10 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3ibb h ARG 35 CO -0.01 0.60 0.00 0.00 2.80 0.00 0.00 179.97 183.36 3ibb n ALA 36 N -2.47 2.34 -0.12 2.80 0.00 -0.48 -4.08 120.51 118.49 3ibb n ALA 36 Ca 0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.45 3ibb n ALA 36 Cb 0.22 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 3ibb n ALA 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3ibb h VAL 37 N 2.58 1.23 -0.55 0.00 3.04 -1.40 -1.61 116.25 119.55 3ibb h VAL 37 Ca 0.00 -0.78 -0.03 0.00 -1.01 0.00 0.00 66.70 64.87 3ibb h VAL 37 Cb 0.68 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 3ibb h VAL 37 CO 0.00 0.27 0.21 -0.33 -1.01 0.00 0.00 177.57 176.71 3ibb h GLU 38 N 0.44 0.80 -0.91 4.17 4.39 -1.77 0.20 114.58 121.90 3ibb h GLU 38 Ca 0.11 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3ibb h GLU 38 Cb 0.32 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3ibb h GLU 38 CO 0.00 0.66 0.54 -0.22 -1.16 0.00 0.00 179.01 178.83 3ibb h LYS 39 N 0.79 1.25 -0.68 2.33 3.11 -1.71 1.64 116.57 123.30 3ibb h LYS 39 Ca 0.19 -0.12 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 3ibb h LYS 39 Cb 0.17 -0.26 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 3ibb h LYS 39 CO -0.02 0.88 0.22 0.37 -2.81 0.00 0.00 179.45 178.09 3ibb h GLN 40 N 1.26 1.04 -0.74 1.90 5.75 -0.52 -2.13 115.11 121.66 3ibb h GLN 40 Ca 0.33 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3ibb h GLN 40 Cb -0.03 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 3ibb h GLN 40 CO -0.06 0.88 0.40 0.45 -2.65 0.00 0.00 178.83 177.85 3ibb h HIS 41 N 1.00 1.01 -0.70 3.99 3.86 0.27 -2.89 115.15 121.69 3ibb h HIS 41 Ca 0.22 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3ibb h HIS 41 Cb 0.27 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3ibb h HIS 41 CO 0.02 0.70 0.46 0.00 0.86 0.00 0.00 177.93 179.98 3ibb h ALA 42 N 1.41 0.88 -0.09 2.45 0.00 0.29 0.96 119.26 125.17 3ibb h ALA 42 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3ibb h ALA 42 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ibb h ALA 42 CO -0.04 0.30 -0.12 -0.22 0.00 0.00 0.00 179.25 179.17 3ibb h LYS 43 N 0.94 0.14 0.00 0.00 3.64 -1.67 -3.46 116.57 116.16 3ibb h LYS 43 Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3ibb h LYS 43 Cb -0.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ibb h LYS 43 CO -0.06 0.27 0.00 0.41 -2.27 0.00 0.00 179.45 177.80 3ibb n GLY 44 N -1.00 0.83 3.79 5.01 0.00 0.33 -5.05 105.19 109.11 3ibb n GLY 44 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.88 1.94 0.01 1.61 1.02 -1.09 -4.84 119.74 117.52 3ibb s LYS 45 Ca 0.00 0.68 0.07 0.00 0.02 0.00 0.00 55.97 56.75 3ibb s LYS 45 Cb 0.00 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 3ibb s LYS 45 CO 0.00 -1.73 -0.23 -0.51 -0.92 0.00 0.00 175.35 171.96 3ibb s LEU 46 N -5.86 2.10 0.54 3.17 1.02 -1.26 -4.10 118.68 114.29 3ibb s LEU 46 Ca 0.61 -0.48 -0.21 0.00 0.02 0.00 0.00 54.13 54.08 3ibb s LEU 46 Cb -0.15 -1.13 -0.05 0.00 0.02 0.00 0.00 46.19 44.88 3ibb s LEU 46 CO 0.55 0.24 1.24 0.42 0.02 0.00 0.00 176.35 178.82 3ibb s THR 47 N -0.66 2.61 0.44 5.49 -4.23 -1.26 -4.68 115.64 113.35 3ibb s THR 47 Ca 0.09 0.43 0.12 0.00 -1.18 0.00 0.00 61.69 61.15 3ibb s THR 47 Cb -0.09 -3.20 0.30 0.00 1.34 0.00 0.00 72.50 70.85 3ibb s THR 47 CO 0.00 -0.04 2.02 0.00 -0.54 0.00 0.00 174.62 176.07 3ibb h ALA 48 N 1.44 1.92 -0.82 3.99 0.00 -1.93 1.43 119.26 125.30 3ibb h ALA 48 Ca -0.50 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.40 3ibb h ALA 48 Cb 1.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3ibb h ALA 48 CO 0.57 -0.01 0.54 0.00 0.00 0.00 0.00 179.25 180.35 3ibb h ARG 49 N 0.42 1.07 -0.55 0.00 3.08 -1.94 0.40 114.38 116.86 3ibb h ARG 49 Ca 0.21 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 3ibb h ARG 49 Cb 0.31 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3ibb h ARG 49 CO -0.05 0.71 -0.03 0.93 -1.07 0.00 0.00 179.97 180.45 3ibb h GLU 50 N 1.10 0.98 -0.98 0.04 5.08 0.17 -0.38 114.58 120.59 3ibb h GLU 50 Ca 0.30 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3ibb h GLU 50 Cb -0.12 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 28.99 3ibb h GLU 50 CO -0.07 0.98 0.64 0.00 -1.00 0.00 0.00 179.01 179.56 3ibb h ARG 51 N 0.89 1.20 -0.39 2.33 3.08 -1.33 -1.11 114.38 119.04 3ibb h ARG 51 Ca 0.16 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3ibb h ARG 51 Cb 0.57 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3ibb h ARG 51 CO 0.03 0.80 0.15 0.82 -1.07 0.00 0.00 179.97 180.70 3ibb h ILE 52 N 1.24 1.20 -0.59 2.04 2.04 0.73 -0.75 117.51 123.42 3ibb h ILE 52 Ca 0.39 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3ibb h ILE 52 Cb -0.00 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3ibb h ILE 52 CO -0.12 0.22 0.14 -0.78 0.00 0.00 0.00 178.15 177.62 3ibb h ASP 53 N 0.49 0.90 -0.02 1.72 1.82 -1.06 -2.54 116.42 117.73 3ibb h ASP 53 Ca 0.13 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 3ibb h ASP 53 Cb 0.21 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 3ibb h ASP 53 CO -0.01 0.90 0.01 0.25 -1.61 0.00 0.00 179.24 178.78 3ibb h LEU 54 N 0.86 0.02 -0.37 2.28 5.85 -0.85 -3.15 115.31 119.96 3ibb h LEU 54 Ca 0.19 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 3ibb h LEU 54 Cb 0.35 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ibb h LEU 54 CO 0.00 0.13 -0.11 0.25 -0.34 0.00 0.00 178.44 178.37 3ibb h LEU 55 N -0.08 0.74-10.33 2.25 5.85 -1.21 -3.46 115.31 109.06 3ibb h LEU 55 Ca 0.01 -0.38 -0.51 0.00 0.84 0.00 0.00 57.88 57.84 3ibb h LEU 55 Cb 0.11 -0.20 0.11 0.00 0.37 0.00 0.00 40.66 41.05 3ibb h LEU 55 CO -0.00 0.94 0.34 -0.76 -0.34 0.00 0.00 178.44 178.63 3ibb s LEU 56 N -9.23 3.05 0.58 2.25 1.43 -0.96 -4.88 118.68 110.92 3ibb s LEU 56 Ca -0.13 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.48 3ibb s LEU 56 Cb 0.10 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3ibb s LEU 56 CO 0.81 -1.75 1.23 -1.81 0.23 0.00 0.00 176.35 175.06 3ibb s ASP 57 N -3.61 5.27 0.23 2.29 1.01 -0.70 -4.87 116.67 116.30 3ibb s ASP 57 Ca 0.60 2.44 -0.31 0.00 0.71 0.00 0.00 52.55 55.99 3ibb s ASP 57 Cb -0.16 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.06 3ibb s ASP 57 CO 0.55 -1.54 1.60 -0.70 0.21 0.00 0.00 175.17 175.29 3ibb s GLU 58 N -3.21 4.17 -1.42 8.23 2.56 -1.26 -2.60 118.70 125.17 3ibb s GLU 58 Ca 0.76 2.49 -0.06 0.00 0.00 0.00 0.00 54.97 58.15 3ibb s GLU 58 Cb -0.32 -3.08 0.03 0.00 2.00 0.00 0.00 34.13 32.76 3ibb s GLU 58 CO 0.35 -0.62 0.51 0.41 -0.56 0.00 0.00 175.26 175.35 3ibb n GLY 59 N 3.01 -0.51 0.00 -1.50 0.00 -1.26 -4.85 105.19 100.09 3ibb n GLY 59 Ca 0.11 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.27 3ibb n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ibb n SER 60 N -2.38 1.83 -4.73 1.61 3.41 -1.07 -5.03 113.62 107.26 3ibb n SER 60 Ca -0.08 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 3ibb n SER 60 Cb 0.59 1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 65.70 3ibb n SER 60 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ibb s PHE 61 N -2.14 2.93 -0.16 7.33 5.36 -1.26 -4.47 117.98 125.57 3ibb s PHE 61 Ca -0.00 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 3ibb s PHE 61 Cb 0.05 -4.01 0.03 0.00 -0.34 0.00 0.00 43.02 38.75 3ibb s PHE 61 CO 0.32 -3.64 -0.10 0.08 -1.46 0.00 0.00 175.22 170.42 3ibb s VAL 62 N 0.71 1.40 0.69 3.12 1.01 -1.19 -5.01 120.40 121.12 3ibb s VAL 62 Ca 0.68 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 3ibb s VAL 62 Cb -0.46 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3ibb s VAL 62 CO 0.37 0.29 1.08 -0.70 0.00 0.00 0.00 175.10 176.14 3ibb s GLU 63 N 1.53 2.80 -0.05 2.72 2.12 -1.26 -3.64 118.70 122.92 3ibb s GLU 63 Ca 0.02 1.14 0.04 0.00 0.36 0.00 0.00 54.97 56.53 3ibb s GLU 63 Cb -0.14 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.28 3ibb s GLU 63 CO -0.09 -1.22 -0.15 -0.51 -0.54 0.00 0.00 175.26 172.75 3ibb s LEU 64 N -5.31 1.85 -0.99 2.70 1.02 0.35 -4.79 118.68 113.51 3ibb s LEU 64 Ca 0.62 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.44 3ibb s LEU 64 Cb -0.16 -0.89 0.00 0.00 0.02 0.00 0.00 46.19 45.16 3ibb s LEU 64 CO 0.49 0.12 0.00 0.47 0.02 0.00 0.00 176.35 177.45 3ibb n ASP 65 N 3.29 -4.01 -0.16 2.29 8.00 -1.26 -4.35 116.55 120.35 3ibb n ASP 65 Ca -0.19 0.20 0.10 0.00 0.71 0.00 0.00 54.79 55.60 3ibb n ASP 65 Cb 0.53 -2.53 0.42 0.00 -0.02 0.00 0.00 41.12 39.52 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 0.59 -0.38 -1.24 4.81 -1.91 1.22 114.58 117.67 3ibb h GLU 66 Ca -0.20 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3ibb h GLU 66 Cb 0.73 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3ibb h GLU 66 CO 0.29 0.39 -0.02 0.74 -0.73 0.00 0.00 179.01 179.67 3ibb h PHE 67 N 0.60 0.65 -2.98 0.92 0.04 -1.93 0.26 116.94 114.50 3ibb h PHE 67 Ca 0.33 -0.08 -0.58 0.00 2.80 0.00 0.00 57.97 60.44 3ibb h PHE 67 Cb 0.47 -0.18 0.10 0.00 2.20 0.00 0.00 35.95 38.54 3ibb h PHE 67 CO -0.00 0.63 0.55 0.00 -0.60 0.00 0.00 178.31 178.89 3ibb n ALA 68 N -2.48 1.18 -2.62 2.45 0.00 0.42 -4.25 120.51 115.21 3ibb n ALA 68 Ca 0.02 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.68 3ibb n ALA 68 Cb 0.28 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.36 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 -1.15 0.80 0.70 0.00 0.52 -1.26 -1.39 118.95 117.17 3ibb s ARG 69 Ca 0.62 -1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 3ibb s ARG 69 Cb -0.61 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.24 3ibb s ARG 69 CO 0.56 0.12 1.07 -3.38 0.02 0.00 0.00 175.30 173.69 3ibb s HIS 70 N -1.82 2.93 -0.18 -0.53 -3.43 -1.26 -4.96 115.29 106.04 3ibb s HIS 70 Ca 0.01 1.47 0.03 0.00 -0.80 0.00 0.00 55.06 55.77 3ibb s HIS 70 Cb -0.07 -2.95 -0.03 0.00 -1.43 0.00 0.00 32.58 28.10 3ibb s HIS 70 CO 0.01 -1.39 0.19 0.54 -2.00 0.00 0.00 174.74 172.09 3ibb n ARG 71 N -3.07 5.28 -2.46 -0.38 1.74 -1.26 -5.03 116.66 111.48 3ibb n ARG 71 Ca 0.08 -0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 3ibb n ARG 71 Cb 0.53 -0.69 -0.04 0.00 -1.02 0.00 0.00 32.46 31.24 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 -1.20 6.95 0.00 0.55 0.15 -1.26 -4.96 113.70 113.93 3ibb s SER 72 Ca 0.02 2.22 0.06 0.00 0.70 0.00 0.00 55.95 58.94 3ibb s SER 72 Cb 0.02 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3ibb s SER 72 CO 0.12 -0.36 0.59 0.35 1.20 0.00 0.00 173.24 175.14 3ibb n THR 73 N 0.57 0.00 -1.83 6.45 -2.24 -1.26 -3.92 114.28 112.05 3ibb n THR 73 Ca 0.02 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 3ibb n THR 73 Cb 0.47 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.68 6.46 -1.46 3.42 -0.87 -1.26 -2.31 114.94 118.24 3ibb s ASN 74 Ca 0.06 2.81 -0.10 0.00 -1.57 0.00 0.00 52.86 54.05 3ibb s ASN 74 Cb 0.05 -2.61 0.05 0.00 -0.02 0.00 0.00 41.25 38.71 3ibb s ASN 74 CO 0.10 -0.89 0.95 0.49 -2.57 0.00 0.00 177.10 175.18 3ibb n PHE 75 N 3.24 -2.41 -3.78 2.20 3.72 -1.26 -2.47 117.46 116.70 3ibb n PHE 75 Ca 0.12 0.84 -0.28 0.00 -0.05 0.00 0.00 57.45 58.08 3ibb n PHE 75 Cb 0.37 -4.34 0.04 0.00 -0.94 0.00 0.00 39.48 34.61 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 -1.73 -0.52 0.30 1.37 0.00 -0.98 -4.87 105.19 98.77 3ibb n GLY 76 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.24 0.67 -2.39 0.99 7.12 -1.59 -3.18 115.31 114.68 3ibb h LEU 77 Ca -0.57 -0.10 0.02 0.00 0.13 0.00 0.00 57.88 57.36 3ibb h LEU 77 Cb 1.37 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.33 3ibb h LEU 77 CO 0.63 0.64 0.08 -2.24 -0.13 0.00 0.00 178.44 177.43 3ibb h ASP 78 N 0.71 0.00 -0.46 1.25 2.03 -1.81 -1.53 116.42 116.61 3ibb h ASP 78 Ca 0.16 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.60 3ibb h ASP 78 Cb 0.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 3ibb h ASP 78 CO -0.01 0.00 0.35 0.00 -1.03 0.00 0.00 179.24 178.55 3ibb h ALA 79 N 1.90 2.39 -3.32 4.15 0.00 -1.92 -3.29 119.26 119.18 3ibb h ALA 79 Ca 0.03 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.40 3ibb h ALA 79 Cb 0.19 0.03 -0.35 0.00 0.00 0.00 0.00 17.79 17.67 3ibb h ALA 79 CO -0.00 -0.59 -0.81 -0.80 0.00 0.00 0.00 179.25 177.05 3ibb s ASN 80 N -6.18 1.95 -0.46 0.00 0.01 -0.58 -5.06 114.94 104.62 3ibb s ASN 80 Ca -0.05 -0.31 0.08 0.00 -0.71 0.00 0.00 52.86 51.88 3ibb s ASN 80 Cb 0.19 -0.84 0.29 0.00 0.41 0.00 0.00 41.25 41.29 3ibb s ASN 80 CO 0.70 -0.03 0.68 0.54 -1.51 0.00 0.00 177.10 177.48 3ibb n ARG 81 N 4.28 1.49 -2.37 -0.60 1.74 -1.24 -4.98 116.66 114.97 3ibb n ARG 81 Ca -0.19 -3.78 -0.36 0.00 -0.77 0.00 0.00 57.85 52.75 3ibb n ARG 81 Cb 0.51 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 3ibb n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ibb s PRO 82 N -2.07 3.73 0.42 5.56 0.04 -1.26 -4.82 135.00 136.60 3ibb s PRO 82 Ca 0.39 1.59 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 3ibb s PRO 82 Cb 0.23 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3ibb s PRO 82 CO -0.09 -0.53 1.27 0.71 0.04 0.00 0.00 177.00 178.40 3ibb s TYR 83 N -1.72 2.82 0.00 0.56 2.02 -1.26 -3.03 117.35 116.73 3ibb s TYR 83 Ca 0.66 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.80 3ibb s TYR 83 Cb -0.23 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.72 3ibb s TYR 83 CO 0.28 -1.97 0.00 0.41 -1.57 0.00 0.00 175.55 172.70 3ibb n GLY 84 N 0.65 0.74 3.82 0.71 0.00 0.91 -4.59 105.19 107.43 3ibb n GLY 84 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3ibb n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ibb n ASP 85 N 0.00 -2.04 0.00 1.61 2.03 -1.13 -1.45 116.55 115.57 3ibb n ASP 85 Ca 0.00 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.66 3ibb n ASP 85 Cb 0.00 -1.77 0.00 0.00 -0.72 0.00 0.00 41.12 38.63 3ibb n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ibb n GLY 86 N -0.96 0.75 3.26 0.27 0.00 -1.26 -4.18 105.19 103.07 3ibb n GLY 86 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.31 0.06 -0.20 1.61 0.11 -0.53 -2.27 120.40 116.87 3ibb s VAL 87 Ca 0.00 -0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 3ibb s VAL 87 Cb 0.00 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3ibb s VAL 87 CO 0.00 -0.27 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.79 3ibb s VAL 88 N -1.62 3.71 -0.05 2.04 1.01 -0.80 -4.75 120.40 119.95 3ibb s VAL 88 Ca -0.11 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3ibb s VAL 88 Cb -0.04 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3ibb s VAL 88 CO 0.03 0.43 -0.19 0.42 0.00 0.00 0.00 175.10 175.79 3ibb s THR 89 N 1.11 2.61 0.38 3.92 -4.23 -1.26 -2.28 115.64 115.89 3ibb s THR 89 Ca 0.02 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.50 3ibb s THR 89 Cb -0.14 -1.99 0.05 0.00 1.34 0.00 0.00 72.50 71.76 3ibb s THR 89 CO 0.01 0.58 0.76 -0.83 -0.54 0.00 0.00 174.62 174.60 3ibb s GLY 90 N -0.50 0.47 -0.03 3.99 0.00 0.46 -0.49 107.32 111.22 3ibb s GLY 90 Ca 0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 3ibb s GLY 90 CO 0.01 -0.37 0.06 -2.52 0.00 0.00 0.00 173.10 170.28 3ibb s TYR 91 N -2.38 -0.03 0.05 1.90 -0.85 -1.24 0.41 117.35 115.21 3ibb s TYR 91 Ca 0.17 0.21 -0.00 0.00 -0.52 0.00 0.00 57.07 56.92 3ibb s TYR 91 Cb -0.05 -0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.10 3ibb s TYR 91 CO 0.12 -0.10 -0.04 0.20 -1.52 0.00 0.00 175.55 174.22 3ibb s GLY 92 N 0.91 0.44 0.10 5.49 0.00 0.92 -3.18 107.32 112.01 3ibb s GLY 92 Ca -0.07 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.31 3ibb s GLY 92 CO -0.03 -1.13 1.08 -0.51 0.00 0.00 0.00 173.10 172.51 3ibb s THR 93 N -3.08 4.22 -0.21 0.90 -4.23 -1.26 -2.24 115.64 109.74 3ibb s THR 93 Ca 0.00 1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 62.19 3ibb s THR 93 Cb 0.02 -4.11 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 3ibb s THR 93 CO -0.06 0.22 0.05 -0.69 -0.54 0.00 0.00 174.62 173.60 3ibb s VAL 94 N 0.39 4.45 -1.53 2.29 1.01 0.47 -1.71 120.40 125.76 3ibb s VAL 94 Ca 0.52 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3ibb s VAL 94 Cb -0.27 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.09 3ibb s VAL 94 CO 0.31 0.40 0.47 0.47 0.00 0.00 0.00 175.10 176.75 3ibb n ASP 95 N 4.22 -5.66 -2.93 3.32 8.00 -1.26 0.41 116.55 122.64 3ibb n ASP 95 Ca -0.16 -0.23 -0.21 0.00 0.71 0.00 0.00 54.79 54.89 3ibb n ASP 95 Cb 0.52 -4.61 0.02 0.00 -0.02 0.00 0.00 41.12 37.02 3ibb n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibb n GLY 96 N -1.36 -0.51 3.19 0.44 0.00 -1.26 -4.98 105.19 100.71 3ibb n GLY 96 Ca -0.12 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 3ibb n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ibb s ARG 97 N -5.59 0.88 0.15 1.61 3.52 0.17 -5.12 118.95 114.55 3ibb s ARG 97 Ca 0.24 -1.03 -0.31 0.00 -0.13 0.00 0.00 55.73 54.49 3ibb s ARG 97 Cb -0.12 -0.85 -0.10 0.00 -1.56 0.00 0.00 34.95 32.33 3ibb s ARG 97 CO 0.30 0.18 1.62 -2.14 -0.81 0.00 0.00 175.30 174.45 3ibb s PRO 98 N -2.00 4.20 -0.06 5.12 0.02 -1.26 0.18 135.00 141.20 3ibb s PRO 98 Ca 0.01 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.44 3ibb s PRO 98 Cb -0.09 -3.26 0.02 0.00 0.02 0.00 0.00 34.50 31.20 3ibb s PRO 98 CO 0.02 -0.66 -0.07 0.08 -0.33 0.00 0.00 177.00 176.04 3ibb s VAL 99 N 1.52 0.75 0.41 3.83 1.01 -0.95 -3.98 120.40 123.00 3ibb s VAL 99 Ca 0.72 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 3ibb s VAL 99 Cb -0.44 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3ibb s VAL 99 CO 0.32 0.28 1.08 0.00 0.00 0.00 0.00 175.10 176.77 3ibb s ALA 100 N 0.92 3.06 -0.03 5.51 0.00 0.41 -0.05 121.76 131.57 3ibb s ALA 100 Ca -0.11 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 3ibb s ALA 100 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3ibb s ALA 100 CO 0.01 -0.33 0.07 0.54 0.00 0.00 0.00 175.76 176.04 3ibb s VAL 101 N -1.63 -0.04 -0.05 0.00 0.11 1.36 -2.95 120.40 117.21 3ibb s VAL 101 Ca 0.59 0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.73 3ibb s VAL 101 Cb -0.24 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3ibb s VAL 101 CO 0.30 0.06 0.15 0.72 -3.33 0.00 0.00 175.10 172.99 3ibb s PHE 102 N 0.79 -0.15 0.02 1.54 -0.71 -1.11 0.18 117.98 118.53 3ibb s PHE 102 Ca -0.06 0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.22 3ibb s PHE 102 Cb -0.09 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 3ibb s PHE 102 CO -0.03 -0.10 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.55 3ibb s SER 103 N -0.03 1.05 -0.32 1.98 0.01 -0.96 0.71 113.70 116.13 3ibb s SER 103 Ca -0.01 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 56.79 3ibb s SER 103 Cb -0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 3ibb s SER 103 CO 0.00 0.00 0.34 -1.10 0.41 0.00 0.00 173.24 172.89 3ibb s GLN 104 N -0.76 3.71 0.14 12.44 -0.21 0.02 -1.91 119.66 133.08 3ibb s GLN 104 Ca -0.01 -0.31 -0.31 0.00 0.02 0.00 0.00 55.36 54.75 3ibb s GLN 104 Cb -0.06 -3.75 -0.10 0.00 1.00 0.00 0.00 33.01 30.10 3ibb s GLN 104 CO 0.00 -0.43 1.64 0.34 -2.12 0.00 0.00 175.29 174.73 3ibb s ASP 105 N 1.72 6.55 0.00 5.90 -1.08 -0.96 -4.24 116.67 124.56 3ibb s ASP 105 Ca 0.12 2.62 0.20 0.00 -0.52 0.00 0.00 52.55 54.96 3ibb s ASP 105 Cb -0.16 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 38.83 3ibb s ASP 105 CO 0.11 -0.88 1.08 0.33 0.52 0.00 0.00 175.17 176.33 3ibb n PHE 106 N 4.66 0.00 -0.18 -5.34 7.35 -1.25 -3.07 117.46 119.62 3ibb n PHE 106 Ca 0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 3ibb n PHE 106 Cb 0.39 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.23 3ibb n PHE 106 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3ibb h THR 107 N 3.41 1.24 -3.62 -2.13 2.02 -1.92 -3.32 112.91 108.58 3ibb h THR 107 Ca 0.00 -0.82 -0.69 0.00 0.77 0.00 0.00 66.41 65.67 3ibb h THR 107 Cb 0.78 0.78 -0.25 0.00 -1.74 0.00 0.00 68.15 67.72 3ibb h THR 107 CO 0.00 0.30 -0.57 -0.69 0.37 0.00 0.00 175.52 174.93 3ibb s VAL 108 N -5.35 4.30 -1.48 3.16 1.01 -1.26 -4.31 120.40 116.47 3ibb s VAL 108 Ca -0.13 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 3ibb s VAL 108 Cb 0.12 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.29 3ibb s VAL 108 CO 0.80 -0.03 0.82 0.49 0.00 0.00 0.00 175.10 177.18 3ibb n PHE 109 N 4.93 -2.15 -1.64 5.22 3.72 -1.26 -0.85 117.46 125.43 3ibb n PHE 109 Ca -0.13 0.76 -0.20 0.00 -0.05 0.00 0.00 57.45 57.82 3ibb n PHE 109 Cb 0.47 -3.80 -0.08 0.00 -0.94 0.00 0.00 39.48 35.14 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 -1.55 1.73 2.65 1.37 0.00 -1.25 0.42 105.19 108.56 3ibb n GLY 110 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.57 0.44 3.73 -0.02 0.00 -0.03 -1.70 105.19 107.05 3ibb n GLY 111 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.09 3.81 0.29 4.61 0.00 0.17 -4.46 121.76 124.08 3ibb s ALA 112 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 3ibb s ALA 112 Cb 0.00 -3.65 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 3ibb s ALA 112 CO 0.00 -0.91 1.59 -1.17 0.00 0.00 0.00 175.76 175.28 3ibb s LEU 113 N 0.36 4.35 0.21 0.00 1.98 0.13 -4.44 118.68 121.27 3ibb s LEU 113 Ca 0.68 2.94 0.01 0.00 -2.89 0.00 0.00 54.13 54.86 3ibb s LEU 113 Cb -0.47 -3.63 -0.05 0.00 0.66 0.00 0.00 46.19 42.70 3ibb s LEU 113 CO 0.39 -0.91 0.08 -0.83 -1.89 0.00 0.00 176.35 173.19 3ibb s GLY 114 N 0.52 1.48 0.13 7.98 0.00 -1.26 0.77 107.32 116.93 3ibb s GLY 114 Ca 0.64 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.47 3ibb s GLY 114 CO 0.47 -1.51 1.62 -2.09 0.00 0.00 0.00 173.10 171.59 3ibb h GLU 115 N 2.56 0.64 -0.32 2.90 4.81 -1.92 2.48 114.58 125.72 3ibb h GLU 115 Ca -0.37 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 3ibb h GLU 115 Cb 1.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3ibb h GLU 115 CO 0.59 0.68 0.02 0.28 -0.73 0.00 0.00 179.01 179.85 3ibb h VAL 116 N 0.50 1.18 -0.71 0.32 2.07 -1.93 -3.19 116.25 114.49 3ibb h VAL 116 Ca 0.12 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3ibb h VAL 116 Cb 0.33 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3ibb h VAL 116 CO 0.00 0.24 0.37 0.22 0.02 0.00 0.00 177.57 178.42 3ibb h TYR 117 N 0.47 0.99 -0.52 1.57 5.03 0.40 -0.77 116.97 124.14 3ibb h TYR 117 Ca 0.11 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.33 3ibb h TYR 117 Cb 0.27 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 3ibb h TYR 117 CO 0.01 0.72 0.11 0.78 -1.32 0.00 0.00 178.16 178.46 3ibb h GLY 118 N 0.98 0.90 1.01 1.82 0.00 -1.12 -3.25 103.07 103.41 3ibb h GLY 118 Ca 0.25 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3ibb h GLY 118 CO -0.04 0.54 0.38 1.46 0.00 0.00 0.00 176.54 178.88 3ibb h GLN 119 N 0.72 1.03 -0.72 4.80 1.08 -1.16 1.16 115.11 122.03 3ibb h GLN 119 Ca 0.16 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3ibb h GLN 119 Cb 0.36 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 3ibb h GLN 119 CO 0.00 0.79 0.29 0.87 -0.95 0.00 0.00 178.83 179.83 3ibb h LYS 120 N 1.01 1.06 -0.83 1.46 1.57 -1.46 1.07 116.57 120.45 3ibb h LYS 120 Ca 0.25 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3ibb h LYS 120 Cb 0.08 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3ibb h LYS 120 CO -0.04 0.86 0.40 0.82 -0.57 0.00 0.00 179.45 180.93 3ibb h ILE 121 N 1.04 1.26 -0.80 1.86 2.04 -1.17 0.48 117.51 122.21 3ibb h ILE 121 Ca 0.24 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3ibb h ILE 121 Cb 0.19 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3ibb h ILE 121 CO -0.02 0.30 0.43 0.58 0.00 0.00 0.00 178.15 179.44 3ibb h VAL 122 N 1.17 1.24 -0.26 1.67 2.07 0.34 -0.48 116.25 122.00 3ibb h VAL 122 Ca 0.29 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3ibb h VAL 122 Cb 0.11 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3ibb h VAL 122 CO -0.04 0.27 0.11 0.50 0.02 0.00 0.00 177.57 178.44 3ibb h LYS 123 N 1.11 0.38 -0.58 1.57 1.63 0.17 0.09 116.57 120.95 3ibb h LYS 123 Ca 0.28 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 3ibb h LYS 123 Cb 0.05 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3ibb h LYS 123 CO -0.04 0.40 -0.00 0.28 -3.45 0.00 0.00 179.45 176.64 3ibb h VAL 124 N 0.28 1.27 -0.46 2.00 2.07 -0.69 -2.20 116.25 118.51 3ibb h VAL 124 Ca 0.09 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3ibb h VAL 124 Cb 0.16 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3ibb h VAL 124 CO -0.01 0.41 0.19 0.24 0.02 0.00 0.00 177.57 178.42 3ibb h MET 125 N 0.92 0.68 -0.47 1.57 2.86 -0.99 -2.26 114.93 117.24 3ibb h MET 125 Ca 0.16 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3ibb h MET 125 Cb 0.55 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3ibb h MET 125 CO 0.03 0.61 0.15 -0.44 1.06 0.00 0.00 176.91 178.32 3ibb h ASP 126 N 0.59 0.68 -0.63 1.22 5.19 -0.99 -1.99 116.42 120.50 3ibb h ASP 126 Ca 0.15 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 3ibb h ASP 126 Cb 0.18 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3ibb h ASP 126 CO -0.01 0.70 0.29 0.15 -3.12 0.00 0.00 179.24 177.24 3ibb h PHE 127 N 0.62 0.93 -0.49 4.55 3.57 -1.34 0.52 116.94 125.30 3ibb h PHE 127 Ca 0.15 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3ibb h PHE 127 Cb 0.26 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3ibb h PHE 127 CO 0.01 0.71 0.19 0.00 -2.23 0.00 0.00 178.31 176.99 3ibb h ALA 128 N 1.12 0.63 -0.47 2.41 0.00 -1.38 0.15 119.26 121.72 3ibb h ALA 128 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ibb h ALA 128 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ibb h ALA 128 CO -0.02 0.25 0.13 1.25 0.00 0.00 0.00 179.25 180.86 3ibb h LEU 129 N 0.65 0.71 -0.29 0.00 5.85 -0.99 -0.07 115.31 121.16 3ibb h LEU 129 Ca 0.16 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3ibb h LEU 129 Cb 0.21 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3ibb h LEU 129 CO -0.01 0.74 0.08 0.50 -0.34 0.00 0.00 178.44 179.41 3ibb h LYS 130 N 0.64 0.46 -0.45 1.25 3.64 -0.70 -3.00 116.57 118.40 3ibb h LYS 130 Ca 0.15 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3ibb h LYS 130 Cb 0.30 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3ibb h LYS 130 CO -0.00 0.52 0.03 1.79 -2.27 0.00 0.00 179.45 179.52 3ibb h THR 131 N 0.31 1.22 -0.20 1.00 1.35 -0.75 -3.49 112.91 112.36 3ibb h THR 131 Ca 0.09 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3ibb h THR 131 Cb 0.26 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3ibb h THR 131 CO -0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3ibb n GLY 132 N -0.77 1.03 3.22 5.82 0.00 -0.19 -5.08 105.19 109.22 3ibb n GLY 132 Ca 0.03 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.62 3.74 -0.22 0.00 0.02 -1.25 -4.54 135.00 129.13 3ibb s PRO 134 Ca 0.14 1.90 -0.06 0.00 0.02 0.00 0.00 61.00 63.00 3ibb s PRO 134 Cb 0.02 -2.47 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 3ibb s PRO 134 CO -0.01 -0.61 0.03 0.08 -0.33 0.00 0.00 177.00 176.17 3ibb s VAL 135 N -1.45 4.12 -0.25 3.83 1.01 -0.95 -0.45 120.40 126.26 3ibb s VAL 135 Ca 0.63 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 3ibb s VAL 135 Cb -0.32 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3ibb s VAL 135 CO 0.39 0.39 0.10 -0.69 0.00 0.00 0.00 175.10 175.28 3ibb s VAL 136 N 1.30 4.54 -0.33 2.92 1.01 -1.15 -1.94 120.40 126.75 3ibb s VAL 136 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 3ibb s VAL 136 Cb -0.15 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.12 3ibb s VAL 136 CO 0.02 0.33 0.14 -0.83 0.00 0.00 0.00 175.10 174.76 3ibb s GLY 137 N 1.59 1.86 -0.49 4.51 0.00 0.05 -2.76 107.32 112.08 3ibb s GLY 137 Ca 0.06 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 42.99 3ibb s GLY 137 CO 0.05 0.75 0.66 -0.42 0.00 0.00 0.00 173.10 174.14 3ibb s ILE 138 N 1.52 4.81 -0.26 0.90 1.01 0.22 0.05 121.20 129.45 3ibb s ILE 138 Ca 0.02 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3ibb s ILE 138 Cb -0.18 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 3ibb s ILE 138 CO 0.05 -0.78 0.18 0.20 0.00 0.00 0.00 174.94 174.58 3ibb s ASN 139 N 2.50 6.08 -0.46 3.58 0.01 0.47 -0.80 114.94 126.32 3ibb s ASN 139 Ca 0.19 0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.47 3ibb s ASN 139 Cb -0.17 -2.11 0.20 0.00 0.41 0.00 0.00 41.25 39.58 3ibb s ASN 139 CO 0.15 0.02 0.59 -0.67 -1.51 0.00 0.00 177.10 175.68 3ibb n ASP 140 N 4.59 -1.85 -3.97 -1.22 2.03 -1.26 -1.80 116.55 113.07 3ibb n ASP 140 Ca -0.15 -2.76 -0.15 0.00 0.52 0.00 0.00 54.79 52.26 3ibb n ASP 140 Cb 0.52 0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 41.43 3ibb n ASP 140 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3ibb s SER 141 N -0.11 0.59 0.25 1.67 1.04 0.44 -3.95 113.70 113.62 3ibb s SER 141 Ca 0.32 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.49 3ibb s SER 141 Cb 0.07 -0.03 0.25 0.00 0.10 0.00 0.00 66.02 66.41 3ibb s SER 141 CO -0.14 -0.02 1.92 1.23 0.98 0.00 0.00 173.24 177.21 3ibb h GLY 142 N 5.64 1.39 0.00 7.32 0.00 -1.55 -3.32 103.07 112.56 3ibb h GLY 142 Ca -0.29 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3ibb h GLY 142 CO 0.48 0.52 0.00 0.61 0.00 0.00 0.00 176.54 178.15 3ibb n GLY 143 N -1.34 -0.14 3.68 4.60 0.00 -1.26 -3.56 105.19 107.16 3ibb n GLY 143 Ca 0.11 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.00 3.45 0.12 4.61 0.00 -1.26 0.19 121.76 127.87 3ibb s ALA 144 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.70 3ibb s ALA 144 Cb 0.00 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 3ibb s ALA 144 CO 0.00 -0.48 1.81 -2.13 0.00 0.00 0.00 175.76 174.96 3ibb n ARG 145 N 4.77 2.71 -0.03 0.00 0.63 0.23 -4.76 116.66 120.21 3ibb n ARG 145 Ca 0.02 0.98 -0.03 0.00 -0.92 0.00 0.00 57.85 57.90 3ibb n ARG 145 Cb 0.50 -2.86 0.20 0.00 0.45 0.00 0.00 32.46 30.75 3ibb n ARG 145 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3ibb h ILE 146 N 4.55 1.24 0.08 5.15 1.08 -1.92 -3.25 117.51 124.45 3ibb h ILE 146 Ca -0.46 -1.10 -0.26 0.00 -0.39 0.00 0.00 64.86 62.65 3ibb h ILE 146 Cb 1.23 1.13 0.01 0.00 -3.07 0.00 0.00 36.82 36.11 3ibb h ILE 146 CO 0.94 0.37 -1.13 1.56 -0.69 0.00 0.00 178.15 179.20 3ibb h GLN 147 N 0.54 0.37 -0.64 2.37 1.08 -1.92 -3.29 115.11 113.63 3ibb h GLN 147 Ca 0.10 -0.51 0.07 0.00 -1.45 0.00 0.00 58.65 56.85 3ibb h GLN 147 Cb 0.55 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.11 3ibb h GLN 147 CO 0.03 1.20 0.42 1.49 -0.95 0.00 0.00 178.83 181.03 3ibb h GLU 148 N 0.16 0.60 0.00 1.46 4.57 -1.90 -3.44 114.58 116.03 3ibb h GLU 148 Ca -0.12 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3ibb h GLU 148 Cb 1.81 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 3ibb h GLU 148 CO 0.19 0.40 0.00 0.41 -1.18 0.00 0.00 179.01 178.83 3ibb n GLY 149 N -1.47 -0.65 0.00 1.92 0.00 -1.24 -4.38 105.19 99.36 3ibb n GLY 149 Ca 0.09 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 43.99 3ibb n GLY 149 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ibb n VAL 150 N 0.00 1.00 0.15 1.61 0.24 -1.26 -2.63 118.33 117.44 3ibb n VAL 150 Ca 0.00 0.25 0.10 0.00 -2.04 0.00 0.00 64.34 62.66 3ibb n VAL 150 Cb 0.00 -1.01 0.62 0.00 -1.47 0.00 0.00 33.84 31.97 3ibb n VAL 150 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibb h ALA 151 N 2.50 2.07 -0.79 2.33 0.00 -1.95 2.55 119.26 125.96 3ibb h ALA 151 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ibb h ALA 151 Cb 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3ibb h ALA 151 CO 0.00 -0.12 0.43 1.03 0.00 0.00 0.00 179.25 180.60 3ibb h SER 152 N 0.10 0.99 -0.73 0.00 0.87 -1.80 0.22 113.55 113.20 3ibb h SER 152 Ca 0.09 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 3ibb h SER 152 Cb 0.25 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3ibb h SER 152 CO -0.01 0.81 0.29 -0.07 -0.53 0.00 0.00 176.83 177.32 3ibb h LEU 153 N 1.10 1.02 -1.48 2.23 3.38 0.42 -0.81 115.31 121.17 3ibb h LEU 153 Ca 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ibb h LEU 153 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ibb h LEU 153 CO -0.04 0.90 -0.03 1.23 0.09 0.00 0.00 178.44 180.59 3ibb h GLY 154 N 1.12 0.32 1.05 0.83 0.00 -0.27 0.81 103.07 106.93 3ibb h GLY 154 Ca 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3ibb h GLY 154 CO -0.02 0.16 0.56 0.00 0.00 0.00 0.00 176.54 177.24 3ibb h ALA 155 N 1.68 1.24 -0.47 3.60 0.00 0.07 -2.98 119.26 122.41 3ibb h ALA 155 Ca 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ibb h ALA 155 Cb 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ibb h ALA 155 CO 0.01 0.65 0.12 1.88 0.00 0.00 0.00 179.25 181.91 3ibb h TYR 156 N 1.28 0.77 -0.72 0.00 0.05 0.51 -2.70 116.97 116.17 3ibb h TYR 156 Ca 0.33 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.97 3ibb h TYR 156 Cb -0.05 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 3ibb h TYR 156 CO 0.01 0.70 0.25 0.78 -1.05 0.00 0.00 178.16 178.85 3ibb h GLY 157 N 0.62 1.18 1.00 3.88 0.00 -1.09 0.32 103.07 108.97 3ibb h GLY 157 Ca 0.15 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3ibb h GLY 157 CO -0.00 0.63 0.35 0.83 0.00 0.00 0.00 176.54 178.35 3ibb h GLU 158 N 1.04 0.93 -0.46 4.80 4.39 -1.55 0.50 114.58 124.22 3ibb h GLU 158 Ca 0.23 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 3ibb h GLU 158 Cb 0.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3ibb h GLU 158 CO -0.01 0.71 0.13 0.82 -1.16 0.00 0.00 179.01 179.49 3ibb h ILE 159 N 0.91 1.23 -0.73 3.13 2.04 -1.17 -1.67 117.51 121.25 3ibb h ILE 159 Ca 0.23 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 3ibb h ILE 159 Cb 0.06 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3ibb h ILE 159 CO -0.04 0.28 0.35 -0.26 0.00 0.00 0.00 178.15 178.49 3ibb h PHE 160 N 0.61 1.04 -0.51 1.37 0.04 0.17 -2.12 116.94 117.55 3ibb h PHE 160 Ca 0.15 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 3ibb h PHE 160 Cb 0.29 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3ibb h PHE 160 CO 0.02 0.77 0.02 -0.09 -0.60 0.00 0.00 178.31 178.42 3ibb h ARG 161 N 1.02 0.84 -0.76 1.51 2.43 0.09 -2.36 114.38 117.15 3ibb h ARG 161 Ca 0.25 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3ibb h ARG 161 Cb 0.11 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3ibb h ARG 161 CO -0.03 0.83 0.31 0.00 -1.51 0.00 0.00 179.97 179.57 3ibb h ARG 162 N 0.79 1.13 -0.70 0.20 -0.00 -1.15 -2.38 114.38 112.26 3ibb h ARG 162 Ca 0.15 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.98 59.40 3ibb h ARG 162 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 3ibb h ARG 162 CO 0.02 0.92 0.31 -0.91 0.00 0.00 0.00 179.97 180.31 3ibb h ASN 163 N 1.10 0.95 -0.62 7.04 -0.26 -1.19 -2.46 115.58 120.14 3ibb h ASN 163 Ca 0.25 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 3ibb h ASN 163 Cb 0.21 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 3ibb h ASN 163 CO -0.02 0.84 0.20 0.74 -1.06 0.00 0.00 177.43 178.13 3ibb h THR 164 N 0.99 1.24 -0.43 2.81 2.02 -1.42 -1.29 112.91 116.83 3ibb h THR 164 Ca 0.24 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 3ibb h THR 164 Cb 0.17 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3ibb h THR 164 CO -0.02 0.31 0.14 0.45 0.37 0.00 0.00 175.52 176.77 3ibb h HIS 165 N 0.88 0.68 -0.52 3.16 3.86 -1.32 -3.26 115.15 118.63 3ibb h HIS 165 Ca 0.20 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 3ibb h HIS 165 Cb 0.28 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3ibb h HIS 165 CO 0.02 0.62 0.08 0.00 0.86 0.00 0.00 177.93 179.50 3ibb h ALA 166 N 0.99 0.69 -2.45 2.45 0.00 -1.44 -3.45 119.26 116.06 3ibb h ALA 166 Ca 0.14 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 3ibb h ALA 166 Cb 0.25 -0.20 0.08 0.00 0.00 0.00 0.00 17.79 17.93 3ibb h ALA 166 CO -0.01 0.43 0.70 0.43 0.00 0.00 0.00 179.25 180.80 3ibb n SER 167 N -4.38 3.08 0.00 0.00 7.64 -0.49 0.26 113.62 119.72 3ibb n SER 167 Ca 0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3ibb n SER 167 Cb 0.26 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 3ibb n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ibb n GLY 168 N 2.24 0.74 1.01 0.23 0.00 -1.26 -4.90 105.19 103.24 3ibb n GLY 168 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 0.79 -4.71 1.61 0.31 0.72 -4.83 118.33 110.23 3ibb n VAL 169 Ca 0.00 0.25 -0.25 0.00 -0.01 0.00 0.00 64.34 64.33 3ibb n VAL 169 Cb 0.00 -1.57 -0.16 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.02 1.27 0.21 2.52 -4.36 -1.19 -2.56 121.20 115.07 3ibb s ILE 170 Ca -0.01 -0.60 -0.31 0.00 -0.26 0.00 0.00 60.65 59.46 3ibb s ILE 170 Cb 0.00 -1.12 -0.11 0.00 1.25 0.00 0.00 42.46 42.49 3ibb s ILE 170 CO 0.01 0.38 1.61 -2.84 0.24 0.00 0.00 174.94 174.34 3ibb s PRO 171 N 0.27 4.17 -0.19 0.37 0.02 -1.26 -4.70 135.00 133.68 3ibb s PRO 171 Ca -0.08 2.48 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 3ibb s PRO 171 Cb -0.13 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 3ibb s PRO 171 CO 0.03 -0.64 -0.06 -0.65 -0.33 0.00 0.00 177.00 175.35 3ibb s GLN 172 N 0.67 3.42 -0.19 5.54 -0.21 -1.26 -2.25 119.66 125.38 3ibb s GLN 172 Ca 0.69 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 3ibb s GLN 172 Cb -0.46 -2.92 -0.00 0.00 1.00 0.00 0.00 33.01 30.62 3ibb s GLN 172 CO 0.36 -0.06 -0.09 0.42 -2.12 0.00 0.00 175.29 173.80 3ibb s ILE 173 N 1.10 3.03 -0.31 1.08 -1.09 -0.82 -2.64 121.20 121.55 3ibb s ILE 173 Ca 0.01 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 3ibb s ILE 173 Cb -0.15 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 3ibb s ILE 173 CO -0.01 0.47 0.15 -0.44 -1.23 0.00 0.00 174.94 173.88 3ibb s SER 174 N 1.23 5.56 -0.26 3.58 0.01 0.10 -0.77 113.70 123.15 3ibb s SER 174 Ca 0.02 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 3ibb s SER 174 Cb -0.14 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 3ibb s SER 174 CO -0.04 -0.18 0.09 -0.22 0.41 0.00 0.00 173.24 173.30 3ibb s LEU 175 N 1.62 3.61 -0.33 2.44 0.20 0.11 -0.54 118.68 125.78 3ibb s LEU 175 Ca 0.05 -0.30 -0.09 0.00 0.69 0.00 0.00 54.13 54.48 3ibb s LEU 175 Cb -0.17 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.67 3ibb s LEU 175 CO 0.06 -0.08 0.14 -0.69 -0.29 0.00 0.00 176.35 175.50 3ibb s VAL 176 N 1.61 4.32 -0.04 1.68 1.01 0.97 0.18 120.40 130.12 3ibb s VAL 176 Ca 0.06 -0.73 0.16 0.00 0.00 0.00 0.00 61.98 61.47 3ibb s VAL 176 Cb -0.16 -3.31 -0.24 0.00 0.00 0.00 0.00 36.38 32.67 3ibb s VAL 176 CO 0.04 -0.06 0.31 1.33 0.00 0.00 0.00 175.10 176.72 3ibb n VAL 177 N 4.93 0.14 -3.96 2.92 0.24 -0.75 -2.81 118.33 119.06 3ibb n VAL 177 Ca -0.13 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 3ibb n VAL 177 Cb 0.47 0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 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 -4.00 0.48 0.46 7.63 0.00 -0.95 -3.45 107.32 107.49 3ibb s GLY 178 Ca -0.06 -0.87 -0.21 0.00 0.00 0.00 0.00 44.72 43.58 3ibb s GLY 178 CO 0.66 -0.81 0.48 -1.05 0.00 0.00 0.00 173.10 172.38 3ibb n PRO 179 N -0.23 0.50 -4.78 2.90 -0.02 -1.26 -3.89 135.00 128.22 3ibb n PRO 179 Ca -0.07 0.19 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 3ibb n PRO 179 Cb 0.63 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.48 0.77 0.00 0.00 0.00 -1.23 -1.89 121.76 119.88 3ibb s ALA 181 Ca -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3ibb s ALA 181 Cb -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3ibb s ALA 181 CO 0.05 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3ibb n GLY 182 N 1.81 -0.37 0.32 0.00 0.00 -1.09 -3.11 105.19 102.75 3ibb n GLY 182 Ca -0.20 -1.06 0.16 0.00 0.00 0.00 0.00 46.02 44.92 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 1.06 -0.02 0.00 -1.91 -0.74 103.07 101.46 3ibb h GLY 183 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3ibb h GLY 183 CO 0.00 0.00 0.36 0.00 0.00 0.00 0.00 176.54 176.90 3ibb h ALA 184 N 1.88 2.24 -0.27 3.60 0.00 -1.91 1.33 119.26 126.13 3ibb h ALA 184 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 184 Cb 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ibb h ALA 184 CO -0.00 -0.57 0.10 -0.39 0.00 0.00 0.00 179.25 178.39 3ibb h VAL 185 N 0.00 1.11 -0.48 0.00 -1.51 -1.33 -2.03 116.25 112.01 3ibb h VAL 185 Ca 0.20 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3ibb h VAL 185 Cb 0.91 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 3ibb h VAL 185 CO -0.00 0.13 0.31 1.88 -1.23 0.00 0.00 177.57 178.67 3ibb h TYR 186 N 0.37 0.61 -0.89 5.19 0.05 0.15 -2.09 116.97 120.37 3ibb h TYR 186 Ca 0.09 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3ibb h TYR 186 Cb 0.09 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 3ibb h TYR 186 CO 0.00 0.39 0.52 1.03 -1.05 0.00 0.00 178.16 179.05 3ibb h SER 187 N 0.66 1.08 -0.33 3.88 0.87 -1.52 5.28 113.55 123.46 3ibb h SER 187 Ca 0.18 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3ibb h SER 187 Cb -0.07 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 3ibb h SER 187 CO -0.04 0.84 0.14 -0.65 -0.53 0.00 0.00 176.83 176.59 3ibb h PRO 188 N 1.23 0.56 -0.65 2.24 0.11 -1.56 -3.10 132.00 130.83 3ibb h PRO 188 Ca 0.32 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 3ibb h PRO 188 Cb -0.03 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 3ibb h PRO 188 CO -0.06 0.48 0.34 0.00 -0.21 0.00 0.00 178.00 178.55 3ibb h ALA 189 N 1.60 0.83 -0.64 -0.75 0.00 1.08 0.71 119.26 122.09 3ibb h ALA 189 Ca 0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ibb h ALA 189 Cb 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ibb h ALA 189 CO -0.01 0.37 0.11 0.82 0.00 0.00 0.00 179.25 180.54 3ibb h ILE 190 N 0.89 1.26 -4.02 0.00 1.08 -1.43 -3.46 117.51 111.82 3ibb h ILE 190 Ca 0.23 -1.00 -0.55 0.00 -0.39 0.00 0.00 64.86 63.15 3ibb h ILE 190 Cb 0.07 0.64 0.13 0.00 -3.07 0.00 0.00 36.82 34.59 3ibb h ILE 190 CO -0.03 0.37 0.65 0.42 -0.69 0.00 0.00 178.15 178.87 3ibb s THR 191 N -5.20 2.08 0.10 -0.27 -4.23 0.24 -4.91 115.64 103.46 3ibb s THR 191 Ca -0.11 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.27 3ibb s THR 191 Cb 0.15 -3.04 -0.07 0.00 1.34 0.00 0.00 72.50 70.88 3ibb s THR 191 CO 0.84 0.00 1.63 0.44 -0.54 0.00 0.00 174.62 176.99 3ibb h ASP 192 N 1.81 0.36 -4.26 3.99 3.32 -1.75 -3.45 116.42 116.44 3ibb h ASP 192 Ca -0.51 -0.19 -0.27 0.00 0.02 0.00 0.00 57.03 56.08 3ibb h ASP 192 Cb 1.29 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 3ibb h ASP 192 CO 0.59 0.45 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.46 3ibb s PHE 193 N -5.46 0.40 -0.04 4.55 0.08 -1.13 -5.07 117.98 111.31 3ibb s PHE 193 Ca -0.14 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.71 3ibb s PHE 193 Cb 0.08 -0.25 -0.00 0.00 -0.57 0.00 0.00 43.02 42.27 3ibb s PHE 193 CO 0.72 -0.05 -0.16 0.99 -0.10 0.00 0.00 175.22 176.62 3ibb s THR 194 N -0.63 1.37 0.01 0.64 2.01 -1.26 -0.72 115.64 117.06 3ibb s THR 194 Ca -0.04 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.34 3ibb s THR 194 Cb -0.05 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3ibb s THR 194 CO -0.00 0.40 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.44 3ibb s VAL 195 N 0.04 1.53 -0.04 3.82 1.01 0.29 -0.33 120.40 126.73 3ibb s VAL 195 Ca -0.03 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.03 3ibb s VAL 195 Cb -0.11 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3ibb s VAL 195 CO 0.02 0.32 -0.15 -0.04 0.00 0.00 0.00 175.10 175.26 3ibb s MET 196 N -0.74 1.53 0.48 2.72 -1.94 -0.57 -0.02 119.30 120.75 3ibb s MET 196 Ca 0.07 -0.51 -0.23 0.00 -1.71 0.00 0.00 55.69 53.31 3ibb s MET 196 Cb -0.08 -1.35 -0.07 0.00 2.01 0.00 0.00 34.83 35.34 3ibb s MET 196 CO 0.00 0.20 1.26 0.08 -0.01 0.00 0.00 175.02 176.55 3ibb s VAL 197 N 0.10 2.65 -0.18 -6.03 1.01 -1.12 -3.02 120.40 113.81 3ibb s VAL 197 Ca -0.04 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 3ibb s VAL 197 Cb -0.11 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3ibb s VAL 197 CO 0.02 0.01 0.28 -0.62 0.00 0.00 0.00 175.10 174.79 3ibb s ASP 198 N -1.08 6.38 0.00 3.32 2.15 -1.22 -2.90 116.67 123.32 3ibb s ASP 198 Ca 0.65 0.43 0.00 0.00 0.43 0.00 0.00 52.55 54.06 3ibb s ASP 198 Cb -0.35 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3ibb s ASP 198 CO 0.42 0.07 0.00 0.00 -0.17 0.00 0.00 175.17 175.49 3ibb n GLN 199 N 3.82 0.00 0.00 4.34 1.13 -1.26 -4.81 117.38 120.60 3ibb n GLN 199 Ca -0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3ibb n GLN 199 Cb 0.52 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 28.71 3ibb n GLN 199 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3ibb n THR 200 N -2.40 0.00 -4.71 5.09 -1.04 -1.26 -5.07 114.28 104.90 3ibb n THR 200 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 3ibb n THR 200 Cb 0.00 1.18 -0.15 0.00 -1.82 0.00 0.00 70.33 69.54 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 0.00 2.07 0.01 8.00 1.04 -1.14 -3.95 113.70 119.73 3ibb s SER 201 Ca 0.00 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 3ibb s SER 201 Cb 0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 3ibb s SER 201 CO 0.00 0.18 0.02 -1.00 0.98 0.00 0.00 173.24 173.41 3ibb s HIS 202 N -0.55 0.16 -0.13 5.02 0.09 -1.26 -3.73 115.29 114.89 3ibb s HIS 202 Ca 0.06 -0.34 0.01 0.00 -0.00 0.00 0.00 55.06 54.78 3ibb s HIS 202 Cb -0.07 -0.13 0.02 0.00 -0.00 0.00 0.00 32.58 32.40 3ibb s HIS 202 CO 0.00 -0.18 -0.13 -1.64 -0.00 0.00 0.00 174.74 172.79 3ibb s MET 203 N -1.20 2.09 -0.01 1.40 -1.94 -0.78 -1.65 119.30 117.21 3ibb s MET 203 Ca -0.13 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 3ibb s MET 203 Cb -0.08 -1.91 0.02 0.00 2.01 0.00 0.00 34.83 34.87 3ibb s MET 203 CO -0.00 -0.18 0.01 -0.59 -0.01 0.00 0.00 175.02 174.25 3ibb s PHE 204 N 1.36 0.06 -0.00 -0.03 -0.12 -0.79 -4.12 117.98 114.33 3ibb s PHE 204 Ca 0.01 0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 56.71 3ibb s PHE 204 Cb -0.13 -0.17 -0.19 0.00 -0.63 0.00 0.00 43.02 41.90 3ibb s PHE 204 CO -0.07 -0.06 1.28 0.97 -0.05 0.00 0.00 175.22 177.29 3ibb h ILE 205 N 5.83 1.38 -3.94 -4.49 2.10 -1.84 -2.88 117.51 113.67 3ibb h ILE 205 Ca -0.37 -1.22 -0.48 0.00 1.08 0.00 0.00 64.86 63.87 3ibb h ILE 205 Cb 1.16 2.10 -0.30 0.00 -1.09 0.00 0.00 36.82 38.68 3ibb h ILE 205 CO 0.49 0.33 -0.81 0.42 -1.08 0.00 0.00 178.15 177.51 3ibb s THR 206 N -4.23 1.05 0.80 2.19 -4.23 -1.26 -3.16 115.64 106.80 3ibb s THR 206 Ca -0.15 -0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 3ibb s THR 206 Cb 0.03 -0.91 0.07 0.00 1.34 0.00 0.00 72.50 73.03 3ibb s THR 206 CO 0.70 0.31 1.09 -0.83 -0.54 0.00 0.00 174.62 175.35 3ibb s GLY 207 N 0.02 1.64 0.18 3.99 0.00 -1.26 -4.82 107.32 107.07 3ibb s GLY 207 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.56 3ibb s GLY 207 CO 0.01 0.37 1.78 -2.55 0.00 0.00 0.00 173.10 172.71 3ibb h PRO 208 N -1.16 0.93 -0.73 2.90 0.11 -1.96 -1.49 132.00 130.59 3ibb h PRO 208 Ca -0.47 -0.13 0.07 0.00 0.11 0.00 0.00 66.00 65.58 3ibb h PRO 208 Cb 1.26 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3ibb h PRO 208 CO 0.56 0.73 0.48 -0.44 -0.21 0.00 0.00 178.00 179.12 3ibb h ASP 209 N 0.89 0.66 0.17 -2.05 5.19 -1.94 -0.88 116.42 118.46 3ibb h ASP 209 Ca 0.22 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.28 3ibb h ASP 209 Cb 0.10 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 3ibb h ASP 209 CO -0.03 0.42 -1.91 0.58 -3.12 0.00 0.00 179.24 175.18 3ibb h VAL 210 N 0.75 0.72 -0.87 -1.35 2.07 -1.91 -3.07 116.25 112.59 3ibb h VAL 210 Ca 0.32 -2.41 0.09 0.00 0.82 0.00 0.00 66.70 65.52 3ibb h VAL 210 Cb 0.28 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 3ibb h VAL 210 CO -0.11 0.88 0.56 0.16 0.02 0.00 0.00 177.57 179.08 3ibb h ILE 211 N 0.08 0.98 -0.32 4.57 -0.00 -1.09 0.21 117.51 121.93 3ibb h ILE 211 Ca -0.39 -0.30 -0.02 0.00 -0.00 0.00 0.00 64.86 64.15 3ibb h ILE 211 Cb 2.05 0.03 -0.01 0.00 -0.00 0.00 0.00 36.82 38.89 3ibb h ILE 211 CO 0.11 0.16 0.14 0.50 -0.00 0.00 0.00 178.15 179.06 3ibb h LYS 212 N 0.87 0.48 -0.71 0.16 3.64 -1.27 0.75 116.57 120.49 3ibb h LYS 212 Ca 0.40 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3ibb h LYS 212 Cb 0.37 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3ibb h LYS 212 CO -0.16 0.47 0.22 1.15 -2.27 0.00 0.00 179.45 178.86 3ibb h THR 213 N 0.38 1.26 0.00 1.00 2.02 -0.57 0.94 112.91 117.93 3ibb h THR 213 Ca 0.11 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 3ibb h THR 213 Cb 0.17 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3ibb h THR 213 CO -0.01 0.35 -0.40 0.58 0.37 0.00 0.00 175.52 176.40 3ibb h VAL 214 N 1.04 0.17 -0.62 3.16 2.07 -0.93 -3.40 116.25 117.73 3ibb h VAL 214 Ca 0.23 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3ibb h VAL 214 Cb 0.30 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3ibb h VAL 214 CO -0.01 0.06 0.16 0.71 0.02 0.00 0.00 177.57 178.51 3ibb h THR 215 N -1.00 1.25 0.00 2.57 1.35 -1.01 -3.49 112.91 112.59 3ibb h THR 215 Ca -0.03 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3ibb h THR 215 Cb 0.46 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3ibb h THR 215 CO -0.02 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3ibb n GLY 216 N -0.66 0.75 3.63 5.82 0.00 0.32 -5.04 105.19 110.01 3ibb n GLY 216 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.49 4.00 -0.24 1.61 -1.05 -1.26 -5.00 118.70 116.28 3ibb s GLU 217 Ca 0.00 -0.31 -0.07 0.00 -0.15 0.00 0.00 54.97 54.44 3ibb s GLU 217 Cb 0.00 -3.42 -0.03 0.00 -0.44 0.00 0.00 34.13 30.25 3ibb s GLU 217 CO 0.00 0.11 0.06 0.34 0.95 0.00 0.00 175.26 176.71 3ibb s ASP 218 N 0.89 5.07 0.01 0.83 -1.08 -1.26 -4.15 116.67 116.97 3ibb s ASP 218 Ca 0.06 -0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 51.84 3ibb s ASP 218 Cb -0.13 -1.91 -0.01 0.00 -1.46 0.00 0.00 42.92 39.41 3ibb s ASP 218 CO 0.03 -0.02 0.05 0.68 0.52 0.00 0.00 175.17 176.43 3ibb s VAL 219 N 1.55 0.09 0.79 1.11 -7.23 -1.26 -5.15 120.40 110.30 3ibb s VAL 219 Ca 0.06 -0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 59.39 3ibb s VAL 219 Cb -0.15 -0.32 0.09 0.00 0.56 0.00 0.00 36.38 36.56 3ibb s VAL 219 CO 0.03 -0.40 1.14 -0.83 -0.31 0.00 0.00 175.10 174.73 3ibb s GLY 220 N -1.29 1.65 0.14 2.32 0.00 -1.26 -4.79 107.32 104.09 3ibb s GLY 220 Ca -0.14 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 43.58 3ibb s GLY 220 CO 0.00 -0.33 1.76 0.74 0.00 0.00 0.00 173.10 175.26 3ibb h PHE 221 N -0.97 0.53 -0.43 1.90 0.04 -1.98 0.09 116.94 116.12 3ibb h PHE 221 Ca -0.45 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.26 3ibb h PHE 221 Cb 1.31 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 3ibb h PHE 221 CO 0.12 0.40 0.08 1.49 -0.60 0.00 0.00 178.31 179.80 3ibb h GLU 222 N 0.51 0.70 -0.21 1.51 4.57 -1.96 -2.17 114.58 117.53 3ibb h GLU 222 Ca 0.14 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3ibb h GLU 222 Cb 0.04 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3ibb h GLU 222 CO -0.02 0.72 0.07 1.49 -1.18 0.00 0.00 179.01 180.09 3ibb h GLU 223 N 0.56 0.32 -0.01 1.92 4.81 -1.96 -2.13 114.58 118.08 3ibb h GLU 223 Ca 0.13 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ibb h GLU 223 Cb 0.35 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3ibb h GLU 223 CO 0.01 0.40 -0.00 1.25 -0.73 0.00 0.00 179.01 179.93 3ibb h LEU 224 N 0.17 0.02 -5.97 1.64 5.85 -0.72 -3.39 115.31 112.93 3ibb h LEU 224 Ca 0.07 -0.40 -0.50 0.00 0.84 0.00 0.00 57.88 57.89 3ibb h LEU 224 Cb 0.21 -0.01 -0.39 0.00 0.37 0.00 0.00 40.66 40.84 3ibb h LEU 224 CO -0.00 0.42 -1.14 0.61 -0.34 0.00 0.00 178.44 177.98 3ibb n GLY 225 N -0.01 3.25 3.97 3.75 0.00 -0.84 -4.97 105.19 110.34 3ibb n GLY 225 Ca -0.08 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.98 1.76 0.08 -0.02 0.00 -0.80 -1.86 107.32 104.50 3ibb s GLY 226 Ca 0.38 -1.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.43 3ibb s GLY 226 CO -0.09 -0.92 1.42 0.00 0.00 0.00 0.00 173.10 173.51 3ibb h ALA 227 N -0.76 0.37 -0.65 3.20 0.00 -1.79 0.21 119.26 119.84 3ibb h ALA 227 Ca -0.39 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 3ibb h ALA 227 Cb 1.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3ibb h ALA 227 CO 0.42 0.28 0.14 -0.09 0.00 0.00 0.00 179.25 180.00 3ibb h ARG 228 N 0.29 1.05 -0.18 0.00 2.43 -1.92 -2.31 114.38 113.74 3ibb h ARG 228 Ca 0.05 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3ibb h ARG 228 Cb 0.71 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3ibb h ARG 228 CO 0.05 0.96 0.09 1.15 -1.51 0.00 0.00 179.97 180.70 3ibb h THR 229 N 0.97 1.13 -0.47 0.20 2.02 -1.81 -0.87 112.91 114.08 3ibb h THR 229 Ca 0.20 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3ibb h THR 229 Cb 0.39 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3ibb h THR 229 CO 0.01 0.12 0.10 0.45 0.37 0.00 0.00 175.52 176.57 3ibb h HIS 230 N 0.17 0.81 -0.23 3.16 3.86 -0.69 -0.45 115.15 121.78 3ibb h HIS 230 Ca 0.06 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3ibb h HIS 230 Cb 0.11 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3ibb h HIS 230 CO -0.03 0.74 0.06 -0.91 0.86 0.00 0.00 177.93 178.65 3ibb h ASN 231 N 0.64 0.35 0.00 2.45 2.35 -1.20 -1.53 115.58 118.64 3ibb h ASN 231 Ca 0.15 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3ibb h ASN 231 Cb 0.35 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3ibb h ASN 231 CO 0.00 0.49 -1.21 -1.54 -1.65 0.00 0.00 177.43 173.52 3ibb n SER 232 N -4.74 4.00 -0.12 5.81 3.41 -0.35 -4.08 113.62 117.55 3ibb n SER 232 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.33 3ibb n SER 232 Cb 0.17 1.10 -0.09 0.00 -0.26 0.00 0.00 64.21 65.12 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 -1.74 1.37 -0.06 6.66 -1.04 -1.03 -4.66 114.28 113.78 3ibb n THR 233 Ca -0.02 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.05 61.53 3ibb n THR 233 Cb 0.20 -1.71 0.11 0.00 -1.82 0.00 0.00 70.33 67.11 3ibb n THR 233 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3ibb h SER 234 N -0.68 0.70 -6.20 8.00 0.87 -1.22 -3.48 113.55 111.55 3ibb h SER 234 Ca -0.61 -0.26 -0.46 0.00 -1.23 0.00 0.00 61.79 59.23 3ibb h SER 234 Cb 1.62 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 3ibb h SER 234 CO -0.31 0.93 -0.74 0.61 -0.53 0.00 0.00 176.83 176.79 3ibb n GLY 235 N -0.24 -0.51 0.17 5.77 0.00 -0.63 -4.95 105.19 104.80 3ibb n GLY 235 Ca -0.00 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3ibb n GLY 235 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ibb h VAL 236 N -2.15 1.30 -3.29 1.61 2.07 -1.73 -3.49 116.25 110.57 3ibb h VAL 236 Ca -0.57 -1.19 -0.61 0.00 0.82 0.00 0.00 66.70 65.14 3ibb h VAL 236 Cb 1.37 1.56 -0.34 0.00 -1.52 0.00 0.00 31.29 32.36 3ibb h VAL 236 CO 0.65 0.37 -0.85 0.00 0.02 0.00 0.00 177.57 177.77 3ibb s ALA 237 N -4.60 1.82 0.13 1.67 0.00 -1.20 -4.83 121.76 114.76 3ibb s ALA 237 Ca -0.13 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3ibb s ALA 237 Cb 0.07 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 3ibb s ALA 237 CO 0.78 0.03 1.63 0.45 0.00 0.00 0.00 175.76 178.65 3ibb h HIS 238 N 7.20 0.70 -3.96 0.00 -0.00 -1.03 -3.37 115.15 114.70 3ibb h HIS 238 Ca -0.29 -0.08 -0.30 0.00 -0.00 0.00 0.00 60.37 59.70 3ibb h HIS 238 Cb 1.19 -0.20 -0.22 0.00 -0.00 0.00 0.00 27.41 28.18 3ibb h HIS 238 CO 0.48 0.66 -0.74 -1.58 -0.00 0.00 0.00 177.93 176.75 3ibb s HIS 239 N -5.30 0.71 0.02 2.45 2.46 -1.20 -1.29 115.29 113.14 3ibb s HIS 239 Ca -0.13 -0.45 0.06 0.00 0.47 0.00 0.00 55.06 55.02 3ibb s HIS 239 Cb 0.10 -0.43 -0.02 0.00 -0.13 0.00 0.00 32.58 32.11 3ibb s HIS 239 CO 0.77 -0.06 -0.19 1.41 -2.47 0.00 0.00 174.74 174.20 3ibb s MET 240 N -1.42 1.40 0.06 2.88 0.00 -1.26 -1.51 119.30 119.46 3ibb s MET 240 Ca -0.08 -0.79 -0.10 0.00 0.00 0.00 0.00 55.69 54.73 3ibb s MET 240 Cb -0.09 -1.43 0.00 0.00 0.00 0.00 0.00 34.83 33.32 3ibb s MET 240 CO 0.01 0.38 0.21 0.00 0.00 0.00 0.00 175.02 175.61 3ibb s ALA 241 N -0.63 -0.36 0.28 4.11 0.00 -1.17 -4.97 121.76 119.04 3ibb s ALA 241 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 3ibb s ALA 241 Cb -0.08 0.37 0.39 0.00 0.00 0.00 0.00 23.12 23.81 3ibb s ALA 241 CO 0.01 -0.43 1.95 0.78 0.00 0.00 0.00 175.76 178.07 3ibb h GLY 242 N 3.14 1.26 -3.07 0.00 0.00 -1.93 -3.22 103.07 99.25 3ibb h GLY 242 Ca -0.33 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 3ibb h GLY 242 CO 0.51 0.44 -0.53 0.51 0.00 0.00 0.00 176.54 177.47 3ibb s ASP 243 N -6.21 0.28 0.28 0.19 -4.77 -1.26 -4.44 116.67 100.74 3ibb s ASP 243 Ca -0.12 -0.92 -0.03 0.00 -3.30 0.00 0.00 52.55 48.18 3ibb s ASP 243 Cb 0.18 0.29 0.38 0.00 -1.09 0.00 0.00 42.92 42.69 3ibb s ASP 243 CO 0.80 -0.71 1.92 -0.33 0.70 0.00 0.00 175.17 177.55 3ibb h GLU 244 N 2.89 1.08 -0.60 2.11 5.08 -1.88 0.98 114.58 124.24 3ibb h GLU 244 Ca -0.34 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3ibb h GLU 244 Cb 1.18 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3ibb h GLU 244 CO 0.59 0.77 0.31 -0.22 -1.00 0.00 0.00 179.01 179.47 3ibb h LYS 245 N 1.10 0.85 -0.69 2.33 3.64 -1.97 0.46 116.57 122.29 3ibb h LYS 245 Ca 0.28 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3ibb h LYS 245 Cb -0.01 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3ibb h LYS 245 CO -0.05 0.67 0.23 0.22 -2.27 0.00 0.00 179.45 178.25 3ibb h ASP 246 N 0.82 0.98 -0.78 4.20 3.58 -1.45 -2.04 116.42 121.73 3ibb h ASP 246 Ca 0.21 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3ibb h ASP 246 Cb 0.08 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 3ibb h ASP 246 CO -0.03 0.92 0.39 0.00 -2.88 0.00 0.00 179.24 177.64 3ibb h ALA 247 N 1.10 1.01 -0.77 -0.78 0.00 -0.32 -2.74 119.26 116.75 3ibb h ALA 247 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ibb h ALA 247 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ibb h ALA 247 CO -0.01 0.56 0.28 0.28 0.00 0.00 0.00 179.25 180.36 3ibb h VAL 248 N 1.10 1.26 -0.63 0.00 2.07 0.44 -1.83 116.25 118.66 3ibb h VAL 248 Ca 0.27 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3ibb h VAL 248 Cb 0.10 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3ibb h VAL 248 CO -0.04 0.34 0.21 -0.08 0.02 0.00 0.00 177.57 178.03 3ibb h GLU 249 N 1.13 0.95 -0.90 1.57 4.57 -1.33 -2.36 114.58 118.20 3ibb h GLU 249 Ca 0.25 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3ibb h GLU 249 Cb 0.25 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3ibb h GLU 249 CO -0.02 0.80 0.52 -0.92 -1.18 0.00 0.00 179.01 178.22 3ibb h TYR 250 N 0.92 1.21 -0.54 0.92 3.20 -1.03 -0.60 116.97 121.05 3ibb h TYR 250 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3ibb h TYR 250 Cb 0.24 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3ibb h TYR 250 CO 0.02 0.82 0.16 0.28 -1.64 0.00 0.00 178.16 177.79 3ibb h VAL 251 N 1.25 1.24 -0.40 1.81 2.07 -1.25 0.69 116.25 121.67 3ibb h VAL 251 Ca 0.32 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3ibb h VAL 251 Cb -0.02 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ibb h VAL 251 CO -0.06 0.30 0.12 0.11 0.02 0.00 0.00 177.57 178.06 3ibb h LYS 252 N 0.76 0.62 -0.76 1.57 1.57 -1.09 -2.47 116.57 116.77 3ibb h LYS 252 Ca 0.17 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3ibb h LYS 252 Cb 0.30 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3ibb h LYS 252 CO -0.00 0.63 0.26 1.96 -0.57 0.00 0.00 179.45 181.73 3ibb h GLN 253 N 0.50 1.16 -0.52 3.15 1.08 -1.07 -2.85 115.11 116.55 3ibb h GLN 253 Ca 0.13 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 3ibb h GLN 253 Cb 0.27 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3ibb h GLN 253 CO -0.00 0.97 0.18 1.25 -0.95 0.00 0.00 178.83 180.28 3ibb h LEU 254 N 1.11 0.70 -1.72 1.46 5.85 -0.85 0.94 115.31 122.80 3ibb h LEU 254 Ca 0.25 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ibb h LEU 254 Cb 0.27 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3ibb h LEU 254 CO -0.01 0.65 0.04 -0.07 -0.34 0.00 0.00 178.44 178.71 3ibb h LEU 255 N 0.75 0.20 -0.80 2.25 3.38 -1.21 -2.95 115.31 116.92 3ibb h LEU 255 Ca 0.18 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3ibb h LEU 255 Cb 0.19 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3ibb h LEU 255 CO -0.01 0.20 0.48 0.28 0.09 0.00 0.00 178.44 179.48 3ibb h SER 256 N 0.22 0.73 -0.44 -0.43 0.02 -0.63 -0.50 113.55 112.53 3ibb h SER 256 Ca 0.06 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3ibb h SER 256 Cb 0.08 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3ibb h SER 256 CO -0.00 0.46 -0.05 1.88 -1.14 0.00 0.00 176.83 177.97 3ibb h TYR 257 N 0.86 0.89 -4.35 3.45 0.05 -1.58 -3.39 116.97 112.90 3ibb h TYR 257 Ca 0.36 -0.17 -0.51 0.00 0.05 0.00 0.00 58.73 58.46 3ibb h TYR 257 Cb 0.22 -0.22 0.07 0.00 1.01 0.00 0.00 36.73 37.80 3ibb h TYR 257 CO -0.05 0.89 0.40 -0.51 -1.05 0.00 0.00 178.16 177.84 3ibb s LEU 258 N -9.32 3.19 0.80 3.88 1.43 -0.20 -4.27 118.68 114.20 3ibb s LEU 258 Ca -0.12 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 3ibb s LEU 258 Cb 0.11 -4.47 0.07 0.00 0.03 0.00 0.00 46.19 41.93 3ibb s LEU 258 CO 0.82 -1.05 1.16 -2.16 0.23 0.00 0.00 176.35 175.34 3ibb s PRO 259 N -5.14 2.05 0.26 1.29 0.04 -1.26 -3.90 135.00 128.34 3ibb s PRO 259 Ca 0.56 0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.78 3ibb s PRO 259 Cb -0.12 -1.95 0.35 0.00 0.04 0.00 0.00 34.50 32.82 3ibb s PRO 259 CO 0.54 -1.55 1.90 0.77 0.04 0.00 0.00 177.00 178.69 3ibb h SER 260 N -1.03 1.07 -5.00 6.66 0.02 -1.85 -3.45 113.55 109.97 3ibb h SER 260 Ca -0.46 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 3ibb h SER 260 Cb 1.31 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.53 3ibb h SER 260 CO 0.65 0.71 0.25 0.54 -1.14 0.00 0.00 176.83 177.84 3ibb s ASN 261 N -5.96 -0.41 0.33 3.07 2.20 -1.25 -3.93 114.94 108.99 3ibb s ASN 261 Ca -0.13 -0.27 0.02 0.00 -0.94 0.00 0.00 52.86 51.54 3ibb s ASN 261 Cb 0.19 0.63 0.59 0.00 -2.00 0.00 0.00 41.25 40.67 3ibb s ASN 261 CO 0.81 -1.10 1.98 -0.55 -2.94 0.00 0.00 177.10 175.31 3ibb h ASN 262 N 2.00 0.80 -0.42 3.54 -0.00 -1.81 -2.75 115.58 116.93 3ibb h ASN 262 Ca -0.27 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 55.99 3ibb h ASN 262 Cb 1.28 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 39.39 3ibb h ASN 262 CO 0.31 0.56 0.12 -0.07 -0.00 0.00 0.00 177.43 178.35 3ibb h LEU 263 N 0.93 0.62-10.34 6.14 -0.00 -1.94 -3.44 115.31 107.28 3ibb h LEU 263 Ca 0.29 -0.21 -0.51 0.00 -0.00 0.00 0.00 57.88 57.45 3ibb h LEU 263 Cb 0.01 -0.16 0.08 0.00 -0.00 0.00 0.00 40.66 40.58 3ibb h LEU 263 CO -0.08 0.67 0.39 -0.94 -0.00 0.00 0.00 178.44 178.48 3ibb s SER 264 N -5.99 5.77 0.53 -0.43 1.04 -1.04 -5.07 113.70 108.52 3ibb s SER 264 Ca -0.13 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.64 3ibb s SER 264 Cb 0.10 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.67 3ibb s SER 264 CO 0.77 -1.18 1.11 -1.61 0.98 0.00 0.00 173.24 173.31 3ibb s GLU 265 N -5.05 3.47 0.35 4.02 0.41 -1.26 -4.83 118.70 115.80 3ibb s GLU 265 Ca 0.57 1.56 -0.28 0.00 -0.41 0.00 0.00 54.97 56.41 3ibb s GLU 265 Cb -0.13 -2.04 -0.11 0.00 -1.78 0.00 0.00 34.13 30.08 3ibb s GLU 265 CO 0.54 -0.75 1.44 -1.25 -0.49 0.00 0.00 175.26 174.75 3ibb s PRO 266 N -3.25 4.19 0.32 0.39 0.04 -1.26 -4.67 135.00 130.76 3ibb s PRO 266 Ca 0.71 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.92 3ibb s PRO 266 Cb -0.22 -3.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 3ibb s PRO 266 CO 0.26 -0.44 1.53 -1.25 0.04 0.00 0.00 177.00 177.14 3ibb s PRO 267 N -1.78 4.14 0.04 0.56 0.04 -1.25 -4.70 135.00 132.05 3ibb s PRO 267 Ca 0.53 2.54 0.02 0.00 0.04 0.00 0.00 61.00 64.13 3ibb s PRO 267 Cb -0.44 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3ibb s PRO 267 CO 0.58 -0.56 -0.07 0.00 0.04 0.00 0.00 177.00 176.99 3ibb s ALA 268 N -0.46 0.51 -0.25 8.56 0.00 -1.26 -4.47 121.76 124.38 3ibb s ALA 268 Ca 0.58 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 3ibb s ALA 268 Cb -0.47 0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3ibb s ALA 268 CO 0.53 -0.04 -0.02 -0.06 0.00 0.00 0.00 175.76 176.17 3ibb s PHE 269 N -1.42 3.05 -0.60 0.00 0.08 -1.11 -5.05 117.98 112.94 3ibb s PHE 269 Ca -0.11 -1.20 -0.25 0.00 0.12 0.00 0.00 56.93 55.49 3ibb s PHE 269 Cb -0.10 -2.13 0.04 0.00 -0.57 0.00 0.00 43.02 40.27 3ibb s PHE 269 CO 0.00 -0.63 1.03 -1.25 -0.10 0.00 0.00 175.22 174.27 3ibb s PRO 270 N 1.42 3.31 0.07 0.24 0.04 -1.26 -4.31 135.00 134.51 3ibb s PRO 270 Ca 0.03 -0.26 0.09 0.00 0.04 0.00 0.00 61.00 60.90 3ibb s PRO 270 Cb -0.16 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 3ibb s PRO 270 CO -0.02 -1.65 -0.24 -1.83 0.04 0.00 0.00 177.00 173.30 3ibb s GLU 271 N 4.35 1.78 -0.26 4.56 -1.05 -0.31 -5.03 118.70 122.75 3ibb s GLU 271 Ca 0.32 -1.14 -0.10 0.00 -0.15 0.00 0.00 54.97 53.90 3ibb s GLU 271 Cb -0.12 -2.03 -0.05 0.00 -0.44 0.00 0.00 34.13 31.50 3ibb s GLU 271 CO 0.18 0.50 0.15 -2.00 0.95 0.00 0.00 175.26 175.04 3ibb s GLU 272 N -1.54 3.93 -0.15 -4.83 2.12 -1.26 -4.29 118.70 112.66 3ibb s GLU 272 Ca 0.13 -0.34 -0.10 0.00 0.36 0.00 0.00 54.97 55.03 3ibb s GLU 272 Cb -0.10 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 3ibb s GLU 272 CO 0.04 -0.08 0.17 0.00 -0.54 0.00 0.00 175.26 174.86 3ibb s ALA 273 N 1.43 3.75 0.15 6.30 0.00 -1.26 -5.04 121.76 127.09 3ibb s ALA 273 Ca 0.07 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 3ibb s ALA 273 Cb -0.15 -2.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.73 3ibb s ALA 273 CO 0.07 0.35 1.75 0.34 0.00 0.00 0.00 175.76 178.26 3ibb s ASP 274 N -0.24 6.45 0.29 0.00 2.15 -1.26 -4.88 116.67 119.17 3ibb s ASP 274 Ca 0.13 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.86 3ibb s ASP 274 Cb -0.12 -2.58 0.43 0.00 -0.30 0.00 0.00 42.92 40.35 3ibb s ASP 274 CO 0.02 -0.96 1.79 -0.07 -0.17 0.00 0.00 175.17 175.78 3ibb h LEU 275 N 7.82 0.65 -9.71 -1.34 3.38 -1.99 -3.48 115.31 110.64 3ibb h LEU 275 Ca -0.44 -0.15 -0.56 0.00 0.09 0.00 0.00 57.88 56.82 3ibb h LEU 275 Cb 1.21 -0.17 0.09 0.00 0.09 0.00 0.00 40.66 41.88 3ibb h LEU 275 CO 0.95 0.73 0.71 0.00 0.09 0.00 0.00 178.44 180.92 3ibb n ALA 276 N -2.48 1.77 -1.76 1.53 0.00 -1.26 -4.63 120.51 113.68 3ibb n ALA 276 Ca 0.02 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 3ibb n ALA 276 Cb 0.29 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.40 3ibb n ALA 276 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ibb s VAL 277 N -0.26 2.42 0.06 0.00 1.01 -1.26 -4.98 120.40 117.39 3ibb s VAL 277 Ca 0.64 0.36 0.09 0.00 0.00 0.00 0.00 61.98 63.06 3ibb s VAL 277 Cb -0.57 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3ibb s VAL 277 CO 0.52 0.03 -0.24 0.28 0.00 0.00 0.00 175.10 175.70 3ibb s THR 278 N -1.29 1.92 0.48 3.92 -1.32 -1.26 -4.98 115.64 113.09 3ibb s THR 278 Ca 0.62 -1.39 0.19 0.00 -1.21 0.00 0.00 61.69 59.91 3ibb s THR 278 Cb -0.39 -1.67 0.36 0.00 -1.51 0.00 0.00 72.50 69.29 3ibb s THR 278 CO 0.49 0.21 1.98 0.44 -2.21 0.00 0.00 174.62 175.53 3ibb h ASP 279 N 4.61 0.21 -0.66 8.08 3.32 -2.00 4.97 116.42 134.94 3ibb h ASP 279 Ca -0.45 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 3ibb h ASP 279 Cb 1.16 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3ibb h ASP 279 CO 0.43 0.12 0.28 -0.33 -1.72 0.00 0.00 179.24 178.01 3ibb h GLU 280 N 0.22 1.01 -0.89 3.56 3.07 -2.01 -2.67 114.58 116.88 3ibb h GLU 280 Ca 0.28 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3ibb h GLU 280 Cb 0.78 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 3ibb h GLU 280 CO -0.05 0.82 0.56 -0.44 -1.40 0.00 0.00 179.01 178.49 3ibb h ASP 281 N 0.99 1.04 0.37 1.42 3.45 0.95 -1.76 116.42 122.88 3ibb h ASP 281 Ca 0.23 -0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 3ibb h ASP 281 Cb 0.18 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.69 3ibb h ASP 281 CO -0.02 0.78 -0.08 0.00 -1.57 0.00 0.00 179.24 178.35 3ibb h ALA 282 N 1.40 1.23 -0.79 3.45 0.00 -1.05 -3.21 119.26 120.29 3ibb h ALA 282 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ibb h ALA 282 Cb -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3ibb h ALA 282 CO -0.06 0.10 0.46 0.93 0.00 0.00 0.00 179.25 180.68 3ibb h GLU 283 N 0.00 1.08 -0.93 0.00 5.08 -1.31 -2.83 114.58 115.67 3ibb h GLU 283 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ibb h GLU 283 Cb 0.29 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3ibb h GLU 283 CO 0.01 0.77 0.56 -0.07 -1.00 0.00 0.00 179.01 179.28 3ibb h LEU 284 N 1.10 1.11 -1.22 1.33 3.38 -1.73 -1.16 115.31 118.12 3ibb h LEU 284 Ca 0.28 -0.07 0.44 0.00 0.09 0.00 0.00 57.88 58.63 3ibb h LEU 284 Cb -0.02 -0.28 -0.14 0.00 0.09 0.00 0.00 40.66 40.30 3ibb h LEU 284 CO -0.05 0.86 0.76 0.47 0.09 0.00 0.00 178.44 180.57 3ibb n ASP 285 N -4.37 0.23 -0.67 -0.43 10.43 -1.07 0.86 116.55 121.54 3ibb n ASP 285 Ca 0.10 1.38 0.10 0.00 2.57 0.00 0.00 54.79 58.94 3ibb n ASP 285 Cb 0.06 -0.68 0.05 0.00 1.84 0.00 0.00 41.12 42.39 3ibb n ASP 285 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3ibb n THR 286 N -4.75 0.00 -0.29 -3.53 -2.24 -0.47 -4.52 114.28 98.48 3ibb n THR 286 Ca 0.38 -0.43 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 3ibb n THR 286 Cb 1.43 1.35 0.15 0.00 -2.10 0.00 0.00 70.33 71.15 3ibb n THR 286 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3ibb h ILE 287 N 3.27 1.24 -2.73 2.28 6.09 0.81 -3.39 117.51 125.08 3ibb h ILE 287 Ca 0.00 -0.56 -0.53 0.00 -1.37 0.00 0.00 64.86 62.41 3ibb h ILE 287 Cb 0.76 0.08 0.04 0.00 0.47 0.00 0.00 36.82 38.17 3ibb h ILE 287 CO 0.00 0.26 0.96 -0.69 -3.07 0.00 0.00 178.15 175.61 3ibb s VAL 288 N -5.81 2.64 0.38 2.19 1.01 -1.25 -4.83 120.40 114.73 3ibb s VAL 288 Ca -0.12 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 3ibb s VAL 288 Cb 0.17 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 3ibb s VAL 288 CO 0.81 0.02 0.91 -2.16 0.00 0.00 0.00 175.10 174.68 3ibb s PRO 289 N 1.78 4.28 0.16 2.72 0.04 -1.26 -5.00 135.00 137.72 3ibb s PRO 289 Ca 0.73 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 3ibb s PRO 289 Cb -0.44 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 31.77 3ibb s PRO 289 CO 0.32 0.08 1.72 -0.44 0.04 0.00 0.00 177.00 178.72 3ibb h ASP 290 N 2.30 0.75 -3.97 6.66 3.32 -1.95 -3.43 116.42 120.10 3ibb h ASP 290 Ca -0.48 -0.17 -0.50 0.00 0.02 0.00 0.00 57.03 55.90 3ibb h ASP 290 Cb 1.18 -0.20 0.04 0.00 0.22 0.00 0.00 39.33 40.58 3ibb h ASP 290 CO 0.63 0.72 0.46 -0.55 -1.72 0.00 0.00 179.24 178.77 3ibb s SER 291 N -6.04 6.50 0.05 6.45 0.15 -1.26 -4.97 113.70 114.57 3ibb s SER 291 Ca -0.13 2.19 -0.24 0.00 0.70 0.00 0.00 55.95 58.48 3ibb s SER 291 Cb 0.12 -2.60 -0.16 0.00 -1.71 0.00 0.00 66.02 61.67 3ibb s SER 291 CO 0.78 -0.68 1.55 0.00 1.20 0.00 0.00 173.24 176.09 3ibb h ALA 292 N 2.36 0.03 -0.55 5.45 0.00 -2.04 -3.27 119.26 121.25 3ibb h ALA 292 Ca -0.49 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3ibb h ALA 292 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3ibb h ALA 292 CO 0.62 -0.36 0.17 -0.91 0.00 0.00 0.00 179.25 178.76 3ibb h ASN 293 N -0.16 0.80 -2.79 0.00 4.21 -1.96 -3.44 115.58 112.24 3ibb h ASN 293 Ca 0.01 -0.21 -0.52 0.00 1.21 0.00 0.00 56.30 56.79 3ibb h ASN 293 Cb 0.21 -0.21 0.05 0.00 -1.12 0.00 0.00 38.32 37.25 3ibb h ASN 293 CO -0.00 0.80 0.92 -1.58 -1.29 0.00 0.00 177.43 176.28 3ibb s GLN 294 N -5.40 4.18 0.59 0.81 0.74 -1.23 -4.92 119.66 114.43 3ibb s GLN 294 Ca -0.13 2.44 -0.14 0.00 0.05 0.00 0.00 55.36 57.59 3ibb s GLN 294 Cb 0.12 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 3ibb s GLN 294 CO 0.80 -0.65 1.02 -2.14 -0.55 0.00 0.00 175.29 173.77 3ibb s PRO 295 N 1.09 3.64 0.01 1.67 0.02 -1.26 -4.76 135.00 135.40 3ibb s PRO 295 Ca 0.71 0.89 0.01 0.00 0.02 0.00 0.00 61.00 62.63 3ibb s PRO 295 Cb -0.46 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 3ibb s PRO 295 CO 0.32 -0.53 -0.03 1.52 -0.33 0.00 0.00 177.00 177.95 3ibb s TYR 296 N -2.89 0.27 0.12 6.54 1.13 -1.26 -4.88 117.35 116.38 3ibb s TYR 296 Ca 0.58 -0.20 -0.31 0.00 -1.41 0.00 0.00 57.07 55.72 3ibb s TYR 296 Cb -0.11 -0.18 -0.10 0.00 -1.10 0.00 0.00 41.96 40.47 3ibb s TYR 296 CO 0.44 -0.05 1.67 0.34 -2.51 0.00 0.00 175.55 175.44 3ibb s ASP 297 N -0.56 6.54 0.33 -0.18 -1.08 -1.26 -4.34 116.67 116.12 3ibb s ASP 297 Ca -0.04 2.62 0.05 0.00 -0.52 0.00 0.00 52.55 54.66 3ibb s ASP 297 Cb -0.04 -2.58 0.59 0.00 -1.46 0.00 0.00 42.92 39.43 3ibb s ASP 297 CO -0.00 -0.90 1.84 -0.03 0.52 0.00 0.00 175.17 176.60 3ibb h MET 298 N 7.78 0.45 -0.29 4.34 1.85 -1.97 -3.32 114.93 123.78 3ibb h MET 298 Ca -0.43 -0.12 0.01 0.00 -0.61 0.00 0.00 59.70 58.55 3ibb h MET 298 Cb 1.21 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 3ibb h MET 298 CO 0.93 0.55 0.19 0.45 -0.40 0.00 0.00 176.91 178.64 3ibb h HIS 299 N 0.43 0.33 -0.83 1.39 3.86 -1.93 0.42 115.15 118.81 3ibb h HIS 299 Ca 0.08 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 3ibb h HIS 299 Cb 0.43 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 3ibb h HIS 299 CO 0.01 0.20 0.46 0.77 0.86 0.00 0.00 177.93 180.23 3ibb h SER 300 N 0.35 1.04 -0.37 2.45 0.02 -1.97 0.30 113.55 115.36 3ibb h SER 300 Ca 0.11 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3ibb h SER 300 Cb 0.03 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3ibb h SER 300 CO -0.02 0.83 0.15 0.58 -1.14 0.00 0.00 176.83 177.23 3ibb h VAL 301 N 1.17 1.19 -0.51 2.27 2.07 -1.11 -2.80 116.25 118.52 3ibb h VAL 301 Ca 0.29 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3ibb h VAL 301 Cb 0.03 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3ibb h VAL 301 CO -0.05 0.20 -0.04 0.40 0.02 0.00 0.00 177.57 178.11 3ibb h ILE 302 N 0.45 1.27 -0.69 4.57 2.04 -1.02 -2.91 117.51 121.22 3ibb h ILE 302 Ca 0.12 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3ibb h ILE 302 Cb 0.17 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3ibb h ILE 302 CO -0.01 0.40 0.44 -0.33 0.00 0.00 0.00 178.15 178.65 3ibb h GLU 303 N 0.78 0.83 -0.66 2.37 5.08 -0.52 -2.06 114.58 120.40 3ibb h GLU 303 Ca 0.14 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ibb h GLU 303 Cb 0.57 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3ibb h GLU 303 CO 0.03 0.55 0.43 0.45 -1.00 0.00 0.00 179.01 179.48 3ibb h HIS 304 N 0.86 0.83 -0.30 4.33 3.86 -1.29 -2.16 115.15 121.28 3ibb h HIS 304 Ca 0.28 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 3ibb h HIS 304 Cb 0.01 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 3ibb h HIS 304 CO -0.04 0.53 -0.11 -0.39 0.86 0.00 0.00 177.93 178.78 3ibb h VAL 305 N 0.89 1.29 -4.09 2.45 -1.51 -1.51 -3.47 116.25 110.30 3ibb h VAL 305 Ca 0.24 -1.17 -0.54 0.00 -1.23 0.00 0.00 66.70 64.00 3ibb h VAL 305 Cb -0.10 1.43 0.13 0.00 -2.13 0.00 0.00 31.29 30.62 3ibb h VAL 305 CO -0.05 0.37 0.50 -0.76 -1.23 0.00 0.00 177.57 176.40 3ibb s LEU 306 N -9.25 3.66 0.30 4.19 1.43 -0.79 -4.92 118.68 113.30 3ibb s LEU 306 Ca -0.13 2.51 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 3ibb s LEU 306 Cb 0.08 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.62 3ibb s LEU 306 CO 0.79 -1.73 1.53 -1.81 0.23 0.00 0.00 176.35 175.36 3ibb s ASP 307 N -1.46 6.45 -1.35 2.29 1.01 -0.24 -1.42 116.67 121.95 3ibb s ASP 307 Ca 0.79 2.89 0.00 0.00 0.71 0.00 0.00 52.55 56.94 3ibb s ASP 307 Cb -0.34 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.95 3ibb s ASP 307 CO 0.37 -0.84 0.00 0.47 0.21 0.00 0.00 175.17 175.37 3ibb n ASP 308 N 1.86 -4.59 -3.12 0.27 9.92 -1.26 -2.55 116.55 117.08 3ibb n ASP 308 Ca 0.06 0.14 -0.21 0.00 -0.53 0.00 0.00 54.79 54.26 3ibb n ASP 308 Cb 0.39 -3.89 0.00 0.00 -0.64 0.00 0.00 41.12 36.98 3ibb n ASP 308 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ibb n ALA 309 N -1.87 -0.99 -3.20 2.24 0.00 -0.51 -4.80 120.51 111.37 3ibb n ALA 309 Ca -0.18 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3ibb n ALA 309 Cb 0.63 -2.67 -0.17 0.00 0.00 0.00 0.00 19.45 17.24 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 -5.76 2.48 -0.02 0.00 2.12 -1.06 -4.88 118.70 111.58 3ibb s GLU 310 Ca 0.30 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.94 3ibb s GLU 310 Cb -0.16 -1.95 -0.00 0.00 0.26 0.00 0.00 34.13 32.28 3ibb s GLU 310 CO 0.37 0.16 -0.11 0.12 -0.54 0.00 0.00 175.26 175.27 3ibb s PHE 311 N 0.35 1.07 -0.26 5.30 5.36 -1.26 -4.67 117.98 123.87 3ibb s PHE 311 Ca -0.15 -0.24 -0.09 0.00 -0.96 0.00 0.00 56.93 55.49 3ibb s PHE 311 Cb -0.16 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.75 3ibb s PHE 311 CO 0.06 -0.07 0.12 0.12 -1.46 0.00 0.00 175.22 174.00 3ibb s PHE 312 N -0.04 3.15 -0.15 10.12 5.36 0.30 -5.02 117.98 131.71 3ibb s PHE 312 Ca 0.00 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 3ibb s PHE 312 Cb -0.07 -2.29 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 3ibb s PHE 312 CO 0.00 -0.25 0.01 -2.00 -1.46 0.00 0.00 175.22 171.51 3ibb s GLU 313 N 1.63 3.61 -0.09 10.12 2.12 -1.26 -1.33 118.70 133.50 3ibb s GLU 313 Ca 0.07 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.99 3ibb s GLU 313 Cb -0.15 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 3ibb s GLU 313 CO 0.07 0.36 -0.17 0.95 -0.54 0.00 0.00 175.26 175.93 3ibb s THR 314 N 0.06 2.72 -1.29 -1.70 -4.23 0.12 -4.57 115.64 106.75 3ibb s THR 314 Ca 0.02 -0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 3ibb s THR 314 Cb -0.13 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3ibb s THR 314 CO 0.02 0.55 1.12 0.00 -0.54 0.00 0.00 174.62 175.77 3ibb n GLN 315 N 3.12 -7.49 -0.06 3.99 6.02 -0.41 -4.45 117.38 118.09 3ibb n GLN 315 Ca -0.18 0.82 -0.10 0.00 -0.01 0.00 0.00 57.00 57.53 3ibb n GLN 315 Cb 0.52 -5.81 -0.04 0.00 1.02 0.00 0.00 30.24 25.94 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 -2.46 0.31 0.00 -1.09 0.11 -1.81 -1.41 132.00 125.66 3ibb h PRO 316 Ca -0.56 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 3ibb h PRO 316 Cb 1.35 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ibb h PRO 316 CO 0.53 0.30 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.49 3ibb h LEU 317 N 0.25 0.00 -9.35 2.35 4.07 -1.90 -3.41 115.31 107.32 3ibb h LEU 317 Ca 0.08 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.42 3ibb h LEU 317 Cb 0.08 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.71 3ibb h LEU 317 CO -0.01 0.06 -0.48 0.12 -1.08 0.00 0.00 178.44 177.04 3ibb s PHE 318 N -4.75 3.45 -1.17 1.13 5.36 -0.53 -4.43 117.98 117.04 3ibb s PHE 318 Ca -0.05 0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 56.30 3ibb s PHE 318 Cb 0.16 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 3ibb s PHE 318 CO 0.63 0.38 0.98 0.00 -1.46 0.00 0.00 175.22 175.75 3ibb n ALA 319 N 3.21 -1.92 0.22 11.12 0.00 -1.26 -4.84 120.51 127.03 3ibb n ALA 319 Ca -0.17 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.41 3ibb n ALA 319 Cb 0.53 -2.49 0.85 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.87 0.00 -0.12 0.00 0.11 -1.79 0.07 132.00 128.40 3ibb h PRO 320 Ca -0.57 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.58 3ibb h PRO 320 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ibb h PRO 320 CO 0.49 0.00 0.11 -2.95 -0.21 0.00 0.00 178.00 175.44 3ibb h ASN 321 N 0.00 0.00 -3.88 -2.05 -0.00 -1.85 -3.36 115.58 104.44 3ibb h ASN 321 Ca 0.08 0.00 -0.49 0.00 -0.00 0.00 0.00 56.30 55.89 3ibb h ASN 321 Cb 0.54 0.00 -0.31 0.00 -0.00 0.00 0.00 38.32 38.55 3ibb h ASN 321 CO -0.00 0.00 -0.81 -0.51 -0.00 0.00 0.00 177.43 176.11 3ibb s ILE 322 N -4.78 1.10 -0.10 6.14 2.07 0.01 0.51 121.20 126.15 3ibb s ILE 322 Ca -0.05 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.68 3ibb s ILE 322 Cb 0.16 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.79 3ibb s ILE 322 CO 0.60 0.33 -0.19 -0.76 -1.91 0.00 0.00 174.94 173.01 3ibb s LEU 323 N 0.09 2.42 0.06 8.50 1.43 0.40 -4.85 118.68 126.72 3ibb s LEU 323 Ca -0.03 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3ibb s LEU 323 Cb -0.10 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3ibb s LEU 323 CO 0.01 0.19 -0.05 0.42 0.23 0.00 0.00 176.35 177.15 3ibb s THR 324 N 0.17 0.40 0.00 5.49 -4.23 -1.26 -1.85 115.64 114.36 3ibb s THR 324 Ca -0.10 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3ibb s THR 324 Cb -0.16 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3ibb s THR 324 CO 0.06 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3ibb n GLY 325 N 0.59 0.30 3.77 3.99 0.00 -1.26 0.11 105.19 112.68 3ibb n GLY 325 Ca -0.17 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 3ibb n GLY 325 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ibb s PHE 326 N -1.61 3.04 0.23 1.61 0.08 -0.45 -2.92 117.98 117.96 3ibb s PHE 326 Ca 0.00 -0.09 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 3ibb s PHE 326 Cb 0.00 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3ibb s PHE 326 CO 0.00 0.53 0.58 0.20 -0.10 0.00 0.00 175.22 176.43 3ibb s GLY 327 N -3.36 0.06 -0.04 4.36 0.00 0.12 -0.53 107.32 107.93 3ibb s GLY 327 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 3ibb s GLY 327 CO 0.23 -0.29 0.05 1.09 0.00 0.00 0.00 173.10 174.17 3ibb s ARG 328 N -3.92 3.02 -0.04 2.90 1.70 -1.26 -1.50 118.95 119.84 3ibb s ARG 328 Ca 0.13 -0.45 0.04 0.00 -0.47 0.00 0.00 55.73 54.97 3ibb s ARG 328 Cb -0.02 -2.83 0.00 0.00 -0.57 0.00 0.00 34.95 31.52 3ibb s ARG 328 CO 0.03 0.67 -0.14 0.08 -1.08 0.00 0.00 175.30 174.86 3ibb s VAL 329 N -1.07 1.22 0.00 4.99 1.01 -0.72 -1.07 120.40 124.76 3ibb s VAL 329 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3ibb s VAL 329 Cb -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3ibb s VAL 329 CO 0.09 0.36 0.00 1.21 0.00 0.00 0.00 175.10 176.76 3ibb n GLU 330 N 3.28 0.00 -0.18 2.72 4.07 -1.26 -0.23 120.64 129.03 3ibb n GLU 330 Ca -0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 3ibb n GLU 330 Cb 0.53 -3.37 0.00 0.00 -0.06 0.00 0.00 31.44 28.54 3ibb n GLU 330 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ibb n GLY 331 N -2.00 0.79 3.38 8.31 0.00 -1.26 -1.17 105.19 113.24 3ibb n GLY 331 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ibb n GLY 331 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ibb s ARG 332 N -0.82 3.41 0.29 1.61 6.06 0.67 -2.74 118.95 127.44 3ibb s ARG 332 Ca 0.00 -0.67 -0.29 0.00 -2.50 0.00 0.00 55.73 52.27 3ibb s ARG 332 Cb 0.00 -2.67 -0.10 0.00 0.06 0.00 0.00 34.95 32.24 3ibb s ARG 332 CO 0.00 0.20 1.28 -2.14 -2.50 0.00 0.00 175.30 172.15 3ibb s PRO 333 N 0.39 4.40 0.03 5.12 0.02 -1.26 -1.76 135.00 141.94 3ibb s PRO 333 Ca -0.10 2.12 -0.00 0.00 0.02 0.00 0.00 61.00 63.05 3ibb s PRO 333 Cb -0.16 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3ibb s PRO 333 CO 0.05 -0.15 -0.03 0.14 -0.33 0.00 0.00 177.00 176.67 3ibb s VAL 334 N -0.81 0.18 -0.13 3.83 -7.23 -0.56 -4.15 120.40 111.52 3ibb s VAL 334 Ca 0.50 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3ibb s VAL 334 Cb -0.38 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 3ibb s VAL 334 CO 0.47 -0.65 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.63 3ibb s GLY 335 N -1.92 1.47 -0.11 2.32 0.00 0.14 0.15 107.32 109.36 3ibb s GLY 335 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.69 3ibb s GLY 335 CO -0.04 -0.14 -0.17 -0.26 0.00 0.00 0.00 173.10 172.49 3ibb s ILE 336 N 0.52 2.71 -0.15 0.90 -4.36 -1.15 0.11 121.20 119.77 3ibb s ILE 336 Ca -0.11 -0.79 -0.03 0.00 -0.26 0.00 0.00 60.65 59.46 3ibb s ILE 336 Cb -0.16 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 3ibb s ILE 336 CO 0.04 0.54 -0.06 -0.69 0.24 0.00 0.00 174.94 175.02 3ibb s VAL 337 N 0.27 3.72 -0.02 8.37 1.01 0.19 -4.18 120.40 129.76 3ibb s VAL 337 Ca -0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3ibb s VAL 337 Cb -0.16 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3ibb s VAL 337 CO 0.06 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.81 3ibb s ALA 338 N 0.37 -0.35 0.46 5.51 0.00 -0.77 -0.97 121.76 126.00 3ibb s ALA 338 Ca -0.05 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.73 3ibb s ALA 338 Cb -0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 3ibb s ALA 338 CO 0.03 -0.17 1.16 -0.80 0.00 0.00 0.00 175.76 175.98 3ibb s ASN 339 N -0.93 6.17 -0.24 0.00 0.02 -1.07 0.15 114.94 119.04 3ibb s ASN 339 Ca -0.10 2.28 -0.07 0.00 -1.02 0.00 0.00 52.86 53.94 3ibb s ASN 339 Cb -0.06 -2.60 -0.03 0.00 0.02 0.00 0.00 41.25 38.58 3ibb s ASN 339 CO 0.01 -0.91 0.07 -1.58 0.02 0.00 0.00 177.10 174.71 3ibb s GLN 340 N -2.73 3.72 0.42 -0.60 2.00 1.93 -4.73 119.66 119.67 3ibb s GLN 340 Ca 0.64 -0.45 0.10 0.00 -2.00 0.00 0.00 55.36 53.65 3ibb s GLN 340 Cb -0.28 -3.31 0.88 0.00 0.80 0.00 0.00 33.01 31.10 3ibb s GLN 340 CO 0.34 -0.11 1.99 -1.35 -0.50 0.00 0.00 175.29 175.66 3ibb h PRO 341 N 7.97 0.26 -0.42 1.67 0.11 -1.78 -1.32 132.00 138.50 3ibb h PRO 341 Ca -0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3ibb h PRO 341 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3ibb h PRO 341 CO 0.59 0.31 0.23 0.52 -0.21 0.00 0.00 178.00 179.44 3ibb h MET 342 N 0.25 0.56 -5.23 1.05 2.86 -1.90 -3.06 114.93 109.47 3ibb h MET 342 Ca 0.06 -0.05 -0.66 0.00 -2.06 0.00 0.00 59.70 56.99 3ibb h MET 342 Cb 0.22 -0.12 -0.28 0.00 0.06 0.00 0.00 31.60 31.47 3ibb h MET 342 CO 0.01 0.42 -0.78 -0.65 1.06 0.00 0.00 176.91 176.97 3ibb s GLN 343 N -5.41 3.31 -1.46 1.72 -1.52 -1.23 -4.71 119.66 110.37 3ibb s GLN 343 Ca -0.08 -0.71 -0.04 0.00 -1.95 0.00 0.00 55.36 52.58 3ibb s GLN 343 Cb 0.17 -2.67 0.02 0.00 -0.22 0.00 0.00 33.01 30.31 3ibb s GLN 343 CO 0.74 0.09 0.37 1.19 -0.25 0.00 0.00 175.29 177.43 3ibb n PHE 344 N 3.89 -1.66 -2.05 0.91 3.01 -1.26 -0.69 117.46 119.61 3ibb n PHE 344 Ca -0.19 0.33 -0.15 0.00 1.01 0.00 0.00 57.45 58.45 3ibb n PHE 344 Cb 0.52 -3.77 -0.03 0.00 -0.01 0.00 0.00 39.48 36.19 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 -3.05 -0.54 -2.99 4.37 0.00 -1.15 -0.96 120.51 116.19 3ibb n ALA 345 Ca -0.12 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 3ibb n ALA 345 Cb 0.61 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.64 -0.50 3.78 0.00 0.00 0.13 -4.44 105.19 103.52 3ibb n GLY 346 Ca -0.17 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.09 4.12 0.26 0.00 1.43 -1.11 -4.82 118.68 115.47 3ibb s LEU 348 Ca 0.64 2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 55.75 3ibb s LEU 348 Cb -0.26 -4.15 0.03 0.00 0.03 0.00 0.00 46.19 41.84 3ibb s LEU 348 CO 0.31 -0.69 0.70 1.51 0.23 0.00 0.00 176.35 178.41 3ibb s ASP 349 N -1.36 -0.30 0.30 2.29 -4.77 -1.26 -2.94 116.67 108.63 3ibb s ASP 349 Ca 0.59 -0.54 -0.02 0.00 -3.30 0.00 0.00 52.55 49.29 3ibb s ASP 349 Cb -0.27 0.71 0.45 0.00 -1.09 0.00 0.00 42.92 42.72 3ibb s ASP 349 CO 0.33 -1.30 1.96 0.40 0.70 0.00 0.00 175.17 177.26 3ibb h ILE 350 N 2.00 1.19 -0.09 2.11 2.04 -1.96 0.19 117.51 122.99 3ibb h ILE 350 Ca -0.21 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3ibb h ILE 350 Cb 1.26 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3ibb h ILE 350 CO 0.25 0.20 0.05 0.71 0.00 0.00 0.00 178.15 179.36 3ibb h THR 351 N 1.12 1.09 -0.70 -0.27 1.35 -1.98 -1.80 112.91 111.71 3ibb h THR 351 Ca 0.32 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.88 3ibb h THR 351 Cb -0.07 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.40 3ibb h THR 351 CO -0.08 0.08 0.25 0.00 -0.25 0.00 0.00 175.52 175.52 3ibb h ALA 352 N 0.95 0.91 -0.40 6.62 0.00 -0.97 -2.45 119.26 123.91 3ibb h ALA 352 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ibb h ALA 352 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ibb h ALA 352 CO -0.01 0.57 0.15 0.77 0.00 0.00 0.00 179.25 180.73 3ibb h SER 353 N 1.01 0.56 -0.81 0.00 0.02 -1.16 -1.52 113.55 111.65 3ibb h SER 353 Ca 0.23 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3ibb h SER 353 Cb 0.26 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3ibb h SER 353 CO -0.01 0.59 0.39 -0.33 -1.14 0.00 0.00 176.83 176.32 3ibb h GLU 354 N 0.51 1.17 -0.06 3.45 5.08 -1.14 0.13 114.58 123.72 3ibb h GLU 354 Ca 0.13 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ibb h GLU 354 Cb 0.21 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ibb h GLU 354 CO -0.01 0.90 0.02 -0.22 -1.00 0.00 0.00 179.01 178.70 3ibb h LYS 355 N 1.15 0.10 -0.25 2.33 3.64 -1.02 -2.20 116.57 120.31 3ibb h LYS 355 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3ibb h LYS 355 Cb 0.12 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3ibb h LYS 355 CO -0.04 0.27 0.08 0.00 -2.27 0.00 0.00 179.45 177.49 3ibb h ALA 356 N 0.83 0.33 -0.70 5.00 0.00 -1.21 -3.02 119.26 120.49 3ibb h ALA 356 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3ibb h ALA 356 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ibb h ALA 356 CO -0.00 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.43 3ibb h ALA 357 N 0.91 1.04 -0.34 0.00 0.00 -0.90 0.73 119.26 120.70 3ibb h ALA 357 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ibb h ALA 357 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ibb h ALA 357 CO -0.00 0.64 0.21 -0.09 0.00 0.00 0.00 179.25 180.01 3ibb h ARG 358 N 1.05 0.45 -0.17 0.00 1.12 -1.48 -3.28 114.38 112.06 3ibb h ARG 358 Ca 0.23 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.05 3ibb h ARG 358 Cb 0.31 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 3ibb h ARG 358 CO -0.01 0.32 0.06 0.35 -3.11 0.00 0.00 179.97 177.58 3ibb h PHE 359 N 0.45 0.28 -0.59 2.20 3.57 0.51 -2.36 116.94 121.00 3ibb h PHE 359 Ca 0.12 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3ibb h PHE 359 Cb -0.03 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3ibb h PHE 359 CO -0.05 0.37 0.10 0.28 -2.23 0.00 0.00 178.31 176.78 3ibb h VAL 360 N 0.11 1.25 -0.68 1.41 2.07 -1.13 0.17 116.25 119.44 3ibb h VAL 360 Ca 0.06 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3ibb h VAL 360 Cb 0.22 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3ibb h VAL 360 CO -0.00 0.35 0.45 0.03 0.02 0.00 0.00 177.57 178.42 3ibb h ARG 361 N 0.89 0.87 -0.33 1.57 2.47 -1.51 0.19 114.38 118.53 3ibb h ARG 361 Ca 0.18 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 3ibb h ARG 361 Cb 0.38 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3ibb h ARG 361 CO 0.01 0.58 -0.03 1.15 0.56 0.00 0.00 179.97 182.23 3ibb h THR 362 N 0.90 1.27 -0.25 2.04 2.02 -0.20 -0.48 112.91 118.20 3ibb h THR 362 Ca 0.25 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3ibb h THR 362 Cb -0.07 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3ibb h THR 362 CO -0.06 0.34 0.10 0.00 0.37 0.00 0.00 175.52 176.27 3ibb h ASP 364 N 0.25 0.74 -0.80 0.00 3.58 -0.56 0.57 116.42 120.19 3ibb h ASP 364 Ca 0.08 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 3ibb h ASP 364 Cb 0.17 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 3ibb h ASP 364 CO -0.01 0.74 0.39 0.00 -2.88 0.00 0.00 179.24 177.48 3ibb h ALA 365 N 1.03 1.03 -0.60 -0.78 0.00 -1.22 -2.61 119.26 116.11 3ibb h ALA 365 Ca 0.17 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3ibb h ALA 365 Cb 0.25 -0.32 -0.10 0.00 0.00 0.00 0.00 17.79 17.62 3ibb h ALA 365 CO -0.01 0.59 0.18 1.19 0.00 0.00 0.00 179.25 181.20 3ibb n PHE 366 N -4.36 2.00 -0.62 0.00 3.72 -1.15 -4.89 117.46 112.16 3ibb n PHE 366 Ca 0.08 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.27 3ibb n PHE 366 Cb 0.13 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 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 -0.37 -1.60 -4.52 4.37 3.02 -0.60 -4.58 115.26 110.99 3ibb n ASN 367 Ca 0.37 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.56 3ibb n ASN 367 Cb 1.26 -0.27 -0.12 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.18 4.58 0.29 2.41 1.01 0.19 -4.84 120.40 121.85 3ibb s VAL 368 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3ibb s VAL 368 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 3ibb s VAL 368 CO 0.00 0.36 1.43 -2.84 0.00 0.00 0.00 175.10 174.05 3ibb s PRO 369 N 1.25 4.25 -0.31 2.72 0.02 -1.26 -4.19 135.00 137.48 3ibb s PRO 369 Ca 0.05 2.35 -0.10 0.00 0.02 0.00 0.00 61.00 63.32 3ibb s PRO 369 Cb -0.14 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 3ibb s PRO 369 CO 0.04 -0.40 0.16 0.08 -0.33 0.00 0.00 177.00 176.55 3ibb s VAL 370 N -0.46 4.70 -0.24 3.83 1.01 -1.08 0.26 120.40 128.41 3ibb s VAL 370 Ca 0.56 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 3ibb s VAL 370 Cb -0.43 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3ibb s VAL 370 CO 0.49 0.08 0.13 -0.76 0.00 0.00 0.00 175.10 175.04 3ibb s LEU 371 N 1.63 3.86 -0.09 3.92 1.43 0.30 -2.08 118.68 127.64 3ibb s LEU 371 Ca 0.05 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3ibb s LEU 371 Cb -0.17 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3ibb s LEU 371 CO 0.07 0.03 -0.22 0.28 0.23 0.00 0.00 176.35 176.73 3ibb s THR 372 N 1.27 2.24 -0.09 5.49 -1.32 0.12 0.55 115.64 123.89 3ibb s THR 372 Ca 0.06 -0.96 0.04 0.00 -1.21 0.00 0.00 61.69 59.61 3ibb s THR 372 Cb -0.14 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 3ibb s THR 372 CO 0.05 0.56 -0.21 -0.36 -2.21 0.00 0.00 174.62 172.45 3ibb s PHE 373 N 0.21 2.33 -0.23 9.09 0.40 -0.15 -0.12 117.98 129.51 3ibb s PHE 373 Ca -0.14 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.26 3ibb s PHE 373 Cb -0.17 -1.58 0.05 0.00 0.51 0.00 0.00 43.02 41.84 3ibb s PHE 373 CO 0.07 -0.40 -0.10 0.08 0.70 0.00 0.00 175.22 175.57 3ibb s VAL 374 N 0.43 1.86 -0.16 -0.44 1.01 -0.19 -2.61 120.40 120.30 3ibb s VAL 374 Ca -0.18 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 60.51 3ibb s VAL 374 Cb -0.17 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.28 3ibb s VAL 374 CO 0.07 0.07 -0.07 -0.62 0.00 0.00 0.00 175.10 174.56 3ibb s ASP 375 N 1.27 2.74 0.00 3.32 2.15 -1.26 -2.61 116.67 122.28 3ibb s ASP 375 Ca -0.05 -0.60 -0.04 0.00 0.43 0.00 0.00 52.55 52.30 3ibb s ASP 375 Cb -0.18 -0.95 -0.00 0.00 -0.30 0.00 0.00 42.92 41.49 3ibb s ASP 375 CO -0.07 -0.16 0.07 0.54 -0.17 0.00 0.00 175.17 175.38 3ibb s VAL 376 N 1.62 0.07 -0.99 1.11 0.11 -1.04 -4.56 120.40 116.72 3ibb s VAL 376 Ca 0.02 -0.61 0.12 0.00 -2.93 0.00 0.00 61.98 58.57 3ibb s VAL 376 Cb -0.15 -0.31 0.34 0.00 -1.53 0.00 0.00 36.38 34.74 3ibb s VAL 376 CO -0.08 -0.34 1.29 -0.81 -3.33 0.00 0.00 175.10 171.83 3ibb n PRO 377 N 1.85 2.87 0.00 1.54 -0.04 -1.26 -2.65 135.00 137.32 3ibb n PRO 377 Ca -0.21 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 3ibb n PRO 377 Cb 0.56 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 3ibb n PRO 377 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ibb n GLY 378 N 0.59 0.12 3.39 0.55 0.00 -1.26 -4.84 105.19 103.74 3ibb n GLY 378 Ca 0.13 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 3ibb n GLY 378 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ibb s PHE 379 N 0.00 3.08 0.20 1.61 0.40 -1.26 -2.76 117.98 119.25 3ibb s PHE 379 Ca 0.00 -0.67 -0.32 0.00 -0.60 0.00 0.00 56.93 55.34 3ibb s PHE 379 Cb 0.00 -2.22 -0.12 0.00 0.51 0.00 0.00 43.02 41.19 3ibb s PHE 379 CO 0.00 -0.45 1.70 -0.11 0.70 0.00 0.00 175.22 177.06 3ibb n LEU 380 N 4.89 3.84 -4.49 -0.37 7.94 -1.15 -4.78 117.00 122.87 3ibb n LEU 380 Ca -0.16 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.38 3ibb n LEU 380 Cb 0.50 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.87 3ibb n LEU 380 CO 0.31 0.10 0.90 -2.84 -1.11 0.00 0.00 177.39 174.75 3ibb s PRO 381 N 1.14 3.14 -0.10 1.96 0.02 -1.26 -4.99 135.00 134.92 3ibb s PRO 381 Ca 0.76 -0.62 0.02 0.00 0.02 0.00 0.00 61.00 61.18 3ibb s PRO 381 Cb -0.54 -4.21 0.01 0.00 0.02 0.00 0.00 34.50 29.79 3ibb s PRO 381 CO 0.33 -1.93 -0.16 0.20 -0.33 0.00 0.00 177.00 175.11 3ibb s GLY 382 N 3.69 1.03 0.19 0.52 0.00 -1.26 -4.97 107.32 106.53 3ibb s GLY 382 Ca 0.27 -0.70 -0.09 0.00 0.00 0.00 0.00 44.72 44.20 3ibb s GLY 382 CO 0.12 0.09 1.71 -2.08 0.00 0.00 0.00 173.10 172.95 3ibb h VAL 383 N 5.91 1.26 -0.53 1.40 2.07 -2.00 -2.36 116.25 122.00 3ibb h VAL 383 Ca -0.29 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 3ibb h VAL 383 Cb 1.19 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3ibb h VAL 383 CO 0.48 0.36 0.01 0.44 0.02 0.00 0.00 177.57 178.89 3ibb h ASP 384 N 1.02 0.85 -0.41 0.57 3.32 -2.00 -2.80 116.42 116.96 3ibb h ASP 384 Ca 0.22 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3ibb h ASP 384 Cb 0.35 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3ibb h ASP 384 CO -0.00 0.91 0.22 1.56 -1.72 0.00 0.00 179.24 180.21 3ibb h GLN 385 N 0.82 0.58 -0.41 3.56 1.08 -1.85 -2.03 115.11 116.86 3ibb h GLN 385 Ca 0.16 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 3ibb h GLN 385 Cb 0.47 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3ibb h GLN 385 CO 0.02 0.47 -0.08 0.93 -0.95 0.00 0.00 178.83 179.22 3ibb h GLU 386 N 0.53 0.71 -0.48 1.46 4.39 -1.39 -3.03 114.58 116.77 3ibb h GLU 386 Ca 0.14 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3ibb h GLU 386 Cb 0.06 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3ibb h GLU 386 CO -0.02 0.78 0.24 0.45 -1.16 0.00 0.00 179.01 179.30 3ibb h HIS 387 N 0.65 0.68 -0.61 4.33 3.86 -1.22 -3.18 115.15 119.67 3ibb h HIS 387 Ca 0.12 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3ibb h HIS 387 Cb 0.52 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 3ibb h HIS 387 CO 0.02 0.53 0.22 -0.44 0.86 0.00 0.00 177.93 179.13 3ibb h ASP 388 N 0.63 0.82 0.00 2.45 3.32 -1.30 -3.46 116.42 118.88 3ibb h ASP 388 Ca 0.17 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ibb h ASP 388 Cb 0.10 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3ibb h ASP 388 CO -0.02 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 3ibb n GLY 389 N -0.97 0.64 0.30 2.75 0.00 -1.16 -5.00 105.19 101.74 3ibb n GLY 389 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 1.10 -0.22 -0.61 6.09 -1.71 -0.44 117.51 121.72 3ibb h ILE 390 Ca 0.00 -0.21 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 3ibb h ILE 390 Cb 0.00 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 37.88 3ibb h ILE 390 CO 0.00 0.10 0.11 0.40 -3.07 0.00 0.00 178.15 175.69 3ibb h ILE 391 N 0.48 1.13 0.17 2.19 1.08 -1.90 0.41 117.51 121.06 3ibb h ILE 391 Ca 0.13 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3ibb h ILE 391 Cb -0.03 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3ibb h ILE 391 CO -0.02 0.12 -0.08 0.08 -0.69 0.00 0.00 178.15 177.56 3ibb h ARG 392 N 0.23 -0.21 -0.14 2.37 0.11 -1.50 -3.26 114.38 111.98 3ibb h ARG 392 Ca 0.08 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.15 3ibb h ARG 392 Cb 0.09 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 3ibb h ARG 392 CO -0.01 0.05 0.00 0.00 0.10 0.00 0.00 179.97 180.11 3ibb h ARG 393 N -0.47 0.24 -0.35 0.08 3.08 -0.87 -3.29 114.38 112.80 3ibb h ARG 393 Ca -0.02 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3ibb h ARG 393 Cb 0.36 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3ibb h ARG 393 CO 0.04 0.47 -0.03 0.78 -1.07 0.00 0.00 179.97 180.16 3ibb h GLY 394 N -0.01 0.60 1.82 0.04 0.00 -0.36 -2.53 103.07 102.62 3ibb h GLY 394 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3ibb h GLY 394 CO 0.01 0.35 0.08 0.00 0.00 0.00 0.00 176.54 176.97 3ibb h ALA 395 N 1.45 1.49 -0.21 3.60 0.00 -1.63 -1.49 119.26 122.47 3ibb h ALA 395 Ca 0.11 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ibb h ALA 395 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ibb h ALA 395 CO 0.02 -0.10 0.14 0.87 0.00 0.00 0.00 179.25 180.17 3ibb h LYS 396 N 0.00 0.16 -0.35 0.00 1.57 -1.61 0.71 116.57 117.05 3ibb h LYS 396 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3ibb h LYS 396 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ibb h LYS 396 CO -0.00 0.11 0.11 1.25 -0.57 0.00 0.00 179.45 180.35 3ibb h LEU 397 N 0.17 0.51 -0.70 2.94 5.85 -1.47 -0.99 115.31 121.61 3ibb h LEU 397 Ca 0.09 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3ibb h LEU 397 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ibb h LEU 397 CO -0.01 0.57 0.28 0.16 -0.34 0.00 0.00 178.44 179.10 3ibb h ILE 398 N 0.41 1.25 -0.69 4.05 -0.00 0.20 -2.81 117.51 119.92 3ibb h ILE 398 Ca 0.11 -0.77 -0.05 0.00 -0.00 0.00 0.00 64.86 64.15 3ibb h ILE 398 Cb 0.24 0.43 -0.03 0.00 -0.00 0.00 0.00 36.82 37.47 3ibb h ILE 398 CO -0.00 0.31 0.24 0.15 -0.00 0.00 0.00 178.15 178.84 3ibb h PHE 399 N 1.00 1.09 -0.35 0.16 3.57 -1.00 -0.20 116.94 121.21 3ibb h PHE 399 Ca 0.23 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3ibb h PHE 399 Cb 0.21 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3ibb h PHE 399 CO 0.02 0.86 0.16 0.00 -2.23 0.00 0.00 178.31 177.12 3ibb h ALA 400 N 1.11 0.46 -0.24 2.41 0.00 -1.18 -2.95 119.26 118.86 3ibb h ALA 400 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ibb h ALA 400 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ibb h ALA 400 CO -0.01 0.03 0.03 1.88 0.00 0.00 0.00 179.25 181.19 3ibb h TYR 401 N 0.43 0.43 -0.53 0.00 0.05 -1.29 -2.89 116.97 113.17 3ibb h TYR 401 Ca 0.12 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3ibb h TYR 401 Cb 0.15 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3ibb h TYR 401 CO -0.01 0.53 0.20 0.00 -1.05 0.00 0.00 178.16 177.83 3ibb h ALA 402 N 0.85 1.36 0.00 3.88 0.00 -1.06 -2.47 119.26 121.81 3ibb h ALA 402 Ca 0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3ibb h ALA 402 Cb 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ibb h ALA 402 CO 0.01 0.48 -0.80 1.49 0.00 0.00 0.00 179.25 180.42 3ibb h GLU 403 N 0.75 0.00 -6.70 0.00 4.81 -1.53 -3.46 114.58 108.46 3ibb h GLU 403 Ca 0.18 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.90 3ibb h GLU 403 Cb 0.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3ibb h GLU 403 CO -0.02 0.80 0.50 0.00 -0.73 0.00 0.00 179.01 179.56 3ibb s ALA 404 N -3.11 3.40 -0.86 2.92 0.00 -0.93 -4.93 121.76 118.23 3ibb s ALA 404 Ca 0.00 0.87 0.16 0.00 0.00 0.00 0.00 51.96 53.00 3ibb s ALA 404 Cb 0.11 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.71 3ibb s ALA 404 CO 0.79 -0.23 0.72 0.25 0.00 0.00 0.00 175.76 177.28 3ibb n THR 405 N 2.06 0.00 -2.28 0.00 -2.24 -1.26 -5.00 114.28 105.56 3ibb n THR 405 Ca 0.02 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3ibb n THR 405 Cb 0.45 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3ibb n THR 405 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ibb s VAL 406 N -2.48 4.19 0.14 2.28 -7.23 -1.26 -4.74 120.40 111.29 3ibb s VAL 406 Ca 0.07 1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 61.01 3ibb s VAL 406 Cb 0.13 -3.56 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 3ibb s VAL 406 CO 0.64 -0.57 1.74 -2.84 -0.31 0.00 0.00 175.10 173.77 3ibb s PRO 407 N -3.99 4.15 -0.14 4.82 0.02 -1.26 -4.81 135.00 133.79 3ibb s PRO 407 Ca 0.61 2.52 -0.00 0.00 0.02 0.00 0.00 61.00 64.15 3ibb s PRO 407 Cb -0.13 -3.44 -0.01 0.00 0.02 0.00 0.00 34.50 30.94 3ibb s PRO 407 CO 0.32 -0.78 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.58 3ibb s LEU 408 N 2.21 2.69 0.02 -5.54 1.02 -1.26 -2.64 118.68 115.18 3ibb s LEU 408 Ca 0.77 -0.36 0.04 0.00 0.02 0.00 0.00 54.13 54.60 3ibb s LEU 408 Cb -0.45 -1.61 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 3ibb s LEU 408 CO 0.34 0.14 -0.11 -0.63 0.02 0.00 0.00 176.35 176.11 3ibb s ILE 409 N 0.51 0.87 -0.04 -0.59 -1.09 -0.89 -2.57 121.20 117.41 3ibb s ILE 409 Ca -0.09 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 3ibb s ILE 409 Cb -0.16 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.96 3ibb s ILE 409 CO 0.04 0.07 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.84 3ibb s THR 410 N -0.59 0.88 -0.09 2.92 2.01 -0.72 0.10 115.64 120.16 3ibb s THR 410 Ca 0.01 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.70 3ibb s THR 410 Cb -0.06 -0.81 -0.00 0.00 0.01 0.00 0.00 72.50 71.63 3ibb s THR 410 CO 0.00 0.29 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.29 3ibb s VAL 411 N 0.52 2.08 -0.17 3.82 1.01 0.82 -0.58 120.40 127.90 3ibb s VAL 411 Ca -0.09 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 3ibb s VAL 411 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3ibb s VAL 411 CO 0.02 0.56 0.04 -0.63 0.00 0.00 0.00 175.10 175.09 3ibb s ILE 412 N 0.16 4.63 0.00 2.22 1.01 -0.05 -1.02 121.20 128.14 3ibb s ILE 412 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3ibb s ILE 412 Cb -0.16 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3ibb s ILE 412 CO 0.07 0.47 0.00 0.35 0.00 0.00 0.00 174.94 175.83 3ibb n THR 413 N 3.48 0.00 -0.06 2.92 -2.24 -1.07 0.08 114.28 117.38 3ibb n THR 413 Ca -0.17 0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.65 3ibb n THR 413 Cb 0.52 -1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.44 3ibb n THR 413 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ibb n ARG 414 N -2.26 0.70 -3.66 -0.78 0.63 -1.26 0.52 116.66 110.55 3ibb n ARG 414 Ca 0.00 0.20 -0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3ibb n ARG 414 Cb 0.00 -1.62 -0.03 0.00 0.45 0.00 0.00 32.46 31.26 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 -2.54 1.42 -0.29 -0.14 1.02 -1.26 -1.67 119.74 116.29 3ibb s LYS 415 Ca -0.26 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 54.79 3ibb s LYS 415 Cb 0.08 0.56 0.14 0.00 -0.52 0.00 0.00 37.83 38.09 3ibb s LYS 415 CO 0.70 -0.62 1.01 0.00 -0.92 0.00 0.00 175.35 175.52 3ibb s ALA 416 N -3.84 -2.22 0.02 5.17 0.00 0.76 -2.49 121.76 119.16 3ibb s ALA 416 Ca 0.07 2.11 -0.03 0.00 0.00 0.00 0.00 51.96 54.11 3ibb s ALA 416 Cb -0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 3ibb s ALA 416 CO -0.04 -0.31 0.04 -0.06 0.00 0.00 0.00 175.76 175.38 3ibb s PHE 417 N 1.06 0.20 0.00 0.00 0.08 -1.25 -2.05 117.98 116.01 3ibb s PHE 417 Ca -0.06 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.56 3ibb s PHE 417 Cb -0.04 -0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 3ibb s PHE 417 CO -0.13 -0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 3ibb n GLY 418 N 1.35 1.45 0.27 4.36 0.00 -1.17 0.48 105.19 111.93 3ibb n GLY 418 Ca -0.22 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.94 -3.27 103.07 99.15 3ibb h GLY 419 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3ibb h GLY 419 CO 0.00 0.00 0.39 0.00 0.00 0.00 0.00 176.54 176.93 3ibb h ALA 420 N 1.92 1.68 -0.38 3.60 0.00 -1.10 -0.28 119.26 124.70 3ibb h ALA 420 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ibb h ALA 420 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ibb h ALA 420 CO 0.01 0.25 0.09 -0.92 0.00 0.00 0.00 179.25 178.68 3ibb h TYR 421 N 0.70 0.64 -0.71 0.00 3.20 -0.02 -3.02 116.97 117.76 3ibb h TYR 421 Ca 0.24 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3ibb h TYR 421 Cb 0.08 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3ibb h TYR 421 CO -0.00 0.63 0.26 0.00 -1.64 0.00 0.00 178.16 177.40 3ibb h ALA 422 N 0.94 1.11 -0.57 1.82 0.00 -1.30 -3.33 119.26 117.92 3ibb h ALA 422 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3ibb h ALA 422 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ibb h ALA 422 CO 0.00 0.63 0.17 0.28 0.00 0.00 0.00 179.25 180.33 3ibb h VAL 423 N 1.04 1.24 -1.31 0.00 2.07 -1.12 -3.00 116.25 115.18 3ibb h VAL 423 Ca 0.24 -0.83 -0.71 0.00 0.82 0.00 0.00 66.70 66.21 3ibb h VAL 423 Cb 0.24 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 3ibb h VAL 423 CO -0.01 0.31 1.97 0.23 0.02 0.00 0.00 177.57 180.09 3ibb n MET 424 N -4.42 3.27 -2.91 1.57 2.81 -1.15 -4.57 117.12 111.72 3ibb n MET 424 Ca 0.03 -3.45 -0.22 0.00 -1.81 0.00 0.00 57.70 52.25 3ibb n MET 424 Cb 0.21 -3.25 0.02 0.00 -0.71 0.00 0.00 33.22 29.49 3ibb n MET 424 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ibb n GLY 425 N 4.52 -0.52 3.84 3.03 0.00 -1.26 -4.90 105.19 109.91 3ibb n GLY 425 Ca 0.44 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 3ibb n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibb s SER 426 N -2.57 6.16 0.48 1.61 1.04 -1.13 -4.71 113.70 114.57 3ibb s SER 426 Ca 0.25 1.59 0.13 0.00 0.48 0.00 0.00 55.95 58.39 3ibb s SER 426 Cb -0.11 -2.50 1.11 0.00 0.10 0.00 0.00 66.02 64.62 3ibb s SER 426 CO 0.30 -0.91 2.11 0.50 0.98 0.00 0.00 173.24 176.22 3ibb h LYS 427 N 0.24 0.22 -0.98 4.02 3.64 -1.85 -2.15 116.57 119.70 3ibb h LYS 427 Ca -0.46 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 3ibb h LYS 427 Cb 1.20 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 3ibb h LYS 427 CO 0.60 0.14 0.65 0.45 -2.27 0.00 0.00 179.45 179.02 3ibb h HIS 428 N 0.22 1.22 0.00 1.91 3.86 -1.90 0.88 115.15 121.34 3ibb h HIS 428 Ca 0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3ibb h HIS 428 Cb 0.00 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.06 3ibb h HIS 428 CO -0.00 0.73 0.00 -0.07 0.86 0.00 0.00 177.93 179.45 3ibb h LEU 429 N 1.28 0.00 0.00 2.43 4.07 -1.69 -3.44 115.31 117.95 3ibb h LEU 429 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 3ibb h LEU 429 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3ibb h LEU 429 CO -0.11 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.86 3ibb n GLY 430 N -0.81 1.43 3.75 0.83 0.00 0.30 -4.53 105.19 106.17 3ibb n GLY 430 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.46 0.00 4.61 0.00 -1.08 -4.98 121.76 121.77 3ibb s ALA 431 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 3ibb s ALA 431 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.52 3ibb s ALA 431 CO 0.00 -0.41 1.26 -0.44 0.00 0.00 0.00 175.76 176.17 3ibb h ASP 432 N 4.46 0.21 -3.38 0.00 5.19 -1.85 -3.44 116.42 117.61 3ibb h ASP 432 Ca -0.46 -0.54 -0.53 0.00 -0.62 0.00 0.00 57.03 54.88 3ibb h ASP 432 Cb 1.22 -0.06 -0.34 0.00 0.18 0.00 0.00 39.33 40.33 3ibb h ASP 432 CO 0.71 0.71 -0.82 -0.22 -3.12 0.00 0.00 179.24 176.50 3ibb s LEU 433 N -9.04 1.64 -0.17 1.55 2.96 -1.16 -5.07 118.68 109.38 3ibb s LEU 433 Ca -0.15 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3ibb s LEU 433 Cb 0.03 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 3ibb s LEU 433 CO 0.72 0.03 -0.08 0.20 -1.32 0.00 0.00 176.35 175.90 3ibb s ASN 434 N 0.76 4.23 -0.01 3.68 -0.87 -1.26 -1.75 114.94 119.72 3ibb s ASN 434 Ca -0.12 -0.33 0.04 0.00 -1.57 0.00 0.00 52.86 50.88 3ibb s ASN 434 Cb -0.16 -1.69 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 3ibb s ASN 434 CO 0.03 0.09 -0.14 -0.76 -2.57 0.00 0.00 177.10 173.74 3ibb s LEU 435 N 0.83 2.03 -0.09 0.60 2.01 0.26 -1.03 118.68 123.30 3ibb s LEU 435 Ca -0.03 -0.26 0.04 0.00 0.01 0.00 0.00 54.13 53.89 3ibb s LEU 435 Cb -0.15 -0.72 0.00 0.00 0.01 0.00 0.00 46.19 45.34 3ibb s LEU 435 CO 0.01 0.17 -0.21 0.00 1.01 0.00 0.00 176.35 177.33 3ibb s ALA 436 N -0.36 1.91 0.58 4.21 0.00 -1.07 -0.87 121.76 126.16 3ibb s ALA 436 Ca 0.05 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 3ibb s ALA 436 Cb -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3ibb s ALA 436 CO -0.00 0.25 1.08 -1.58 0.00 0.00 0.00 175.76 175.51 3ibb s TRP 437 N 0.37 2.83 0.49 0.00 0.51 0.11 -1.42 118.94 121.83 3ibb s TRP 437 Ca -0.16 1.54 0.17 0.00 -2.12 0.00 0.00 56.10 55.53 3ibb s TRP 437 Cb -0.17 -3.12 1.19 0.00 -0.81 0.00 0.00 33.47 30.56 3ibb s TRP 437 CO 0.07 -1.31 2.04 -1.35 -0.51 0.00 0.00 176.95 175.90 3ibb h PRO 438 N 0.72 0.18 -0.63 4.98 0.11 -1.86 0.24 132.00 135.74 3ibb h PRO 438 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3ibb h PRO 438 Cb 1.24 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3ibb h PRO 438 CO 0.57 0.12 0.32 1.15 -0.21 0.00 0.00 178.00 179.94 3ibb h THR 439 N 0.18 1.20 -3.70 -1.15 2.02 -1.93 -3.45 112.91 106.08 3ibb h THR 439 Ca 0.17 -0.54 -0.55 0.00 0.77 0.00 0.00 66.41 66.26 3ibb h THR 439 Cb 0.46 0.38 0.12 0.00 -1.74 0.00 0.00 68.15 67.37 3ibb h THR 439 CO -0.03 0.23 0.63 0.00 0.37 0.00 0.00 175.52 176.72 3ibb n ALA 440 N -2.44 1.79 -3.86 6.16 0.00 2.02 -4.59 120.51 119.58 3ibb n ALA 440 Ca 0.06 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 3ibb n ALA 440 Cb 0.12 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.08 3ibb n ALA 440 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ibb s GLN 441 N -2.16 2.97 -0.13 0.00 -0.21 -0.67 -3.43 119.66 116.03 3ibb s GLN 441 Ca 0.57 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 55.09 3ibb s GLN 441 Cb -0.50 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 3ibb s GLN 441 CO 0.61 -0.29 -0.15 0.42 -2.12 0.00 0.00 175.29 173.75 3ibb s ILE 442 N 1.33 2.82 0.00 1.08 1.01 -1.25 0.27 121.20 126.46 3ibb s ILE 442 Ca 0.03 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 3ibb s ILE 442 Cb -0.15 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.19 3ibb s ILE 442 CO -0.08 0.53 0.39 0.00 0.00 0.00 0.00 174.94 175.78 3ibb s ALA 443 N 0.39 -0.97 0.11 9.38 0.00 -0.87 -4.33 121.76 125.47 3ibb s ALA 443 Ca -0.12 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 3ibb s ALA 443 Cb -0.16 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3ibb s ALA 443 CO 0.06 -0.34 1.57 0.28 0.00 0.00 0.00 175.76 177.32 3ibb h VAL 444 N 3.44 1.24 -3.51 0.00 2.07 -1.93 -3.09 116.25 114.48 3ibb h VAL 444 Ca -0.30 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 3ibb h VAL 444 Cb 1.18 1.19 -0.09 0.00 -1.52 0.00 0.00 31.29 32.05 3ibb h VAL 444 CO 0.41 0.29 -0.06 -0.04 0.02 0.00 0.00 177.57 178.19 3ibb s MET 445 N -5.10 1.47 0.38 1.57 -1.94 -1.26 -3.20 119.30 111.21 3ibb s MET 445 Ca -0.13 -1.10 -0.28 0.00 -1.71 0.00 0.00 55.69 52.47 3ibb s MET 445 Cb 0.09 0.49 -0.11 0.00 2.01 0.00 0.00 34.83 37.30 3ibb s MET 445 CO 0.76 -0.62 1.50 0.20 -0.01 0.00 0.00 175.02 176.85 3ibb s GLY 446 N -2.96 2.91 0.20 -0.03 0.00 -1.26 -4.62 107.32 101.56 3ibb s GLY 446 Ca 0.17 1.59 -0.10 0.00 0.00 0.00 0.00 44.72 46.38 3ibb s GLY 446 CO 0.04 2.29 1.80 0.00 0.00 0.00 0.00 173.10 177.23 3ibb h ALA 447 N 3.06 0.95 -0.54 3.20 0.00 -1.97 0.63 119.26 124.59 3ibb h ALA 447 Ca -0.51 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 3ibb h ALA 447 Cb 1.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3ibb h ALA 447 CO 0.65 0.50 -0.10 0.37 0.00 0.00 0.00 179.25 180.66 3ibb h GLN 448 N 1.03 1.01 -0.69 0.00 4.15 -1.89 -2.82 115.11 115.90 3ibb h GLN 448 Ca 0.26 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3ibb h GLN 448 Cb 0.09 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3ibb h GLN 448 CO -0.04 1.05 0.36 0.78 -1.93 0.00 0.00 178.83 179.06 3ibb h GLY 449 N 0.94 1.05 0.99 2.39 0.00 -1.23 -2.96 103.07 104.26 3ibb h GLY 449 Ca 0.14 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3ibb h GLY 449 CO 0.05 0.47 0.04 0.00 0.00 0.00 0.00 176.54 177.10 3ibb h ALA 450 N 1.18 0.65 0.00 3.60 0.00 0.10 -3.03 119.26 121.77 3ibb h ALA 450 Ca 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 450 Cb 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ibb h ALA 450 CO -0.04 0.42 -0.13 -0.39 0.00 0.00 0.00 179.25 179.11 3ibb h VAL 451 N 0.70 0.98 -0.40 0.00 -1.51 -1.55 -3.00 116.25 111.47 3ibb h VAL 451 Ca 0.14 -0.48 0.06 0.00 -1.23 0.00 0.00 66.70 65.19 3ibb h VAL 451 Cb 0.45 1.27 -0.05 0.00 -2.13 0.00 0.00 31.29 30.83 3ibb h VAL 451 CO 0.02 0.13 0.08 0.78 -1.23 0.00 0.00 177.57 177.35 3ibb h ASN 452 N 0.00 0.02 -0.16 4.19 -0.26 -1.38 -0.47 115.58 117.52 3ibb h ASN 452 Ca -0.00 0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.74 3ibb h ASN 452 Cb 0.26 0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 3ibb h ASN 452 CO 0.02 0.05 -0.14 0.40 -1.06 0.00 0.00 177.43 176.69 3ibb h ILE 453 N 0.21 1.34 -0.57 2.81 2.04 -1.65 -3.34 117.51 118.35 3ibb h ILE 453 Ca 0.19 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 3ibb h ILE 453 Cb 0.22 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3ibb h ILE 453 CO -0.25 0.38 0.22 -0.07 0.00 0.00 0.00 178.15 178.43 3ibb h LEU 454 N 0.01 0.79 -3.75 1.44 3.38 -0.99 -3.09 115.31 113.10 3ibb h LEU 454 Ca 0.03 -0.18 -0.33 0.00 0.09 0.00 0.00 57.88 57.49 3ibb h LEU 454 Cb 0.67 -0.21 -0.19 0.00 0.09 0.00 0.00 40.66 41.02 3ibb h LEU 454 CO 0.04 0.75 0.41 1.41 0.09 0.00 0.00 178.44 181.14 3ibb n HIS 455 N -4.48 2.62 -0.25 1.13 8.25 -0.56 -4.67 115.22 117.27 3ibb n HIS 455 Ca 0.03 -1.41 -0.06 0.00 -0.26 0.00 0.00 57.72 56.02 3ibb n HIS 455 Cb 0.17 -0.77 0.05 0.00 1.12 0.00 0.00 29.99 30.55 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 1.94 0.97 -0.10 -0.41 9.65 -1.65 1.23 114.38 126.01 3ibb h ARG 456 Ca 0.40 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 59.13 3ibb h ARG 456 Cb 2.50 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 30.89 3ibb h ARG 456 CO 0.86 0.74 -0.04 -0.09 2.80 0.00 0.00 179.97 184.24 3ibb h ARG 457 N 0.94 0.20 -0.35 0.20 9.65 -1.87 -3.26 114.38 119.90 3ibb h ARG 457 Ca 0.24 -0.09 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3ibb h ARG 457 Cb 0.07 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3ibb h ARG 457 CO -0.04 0.55 -0.01 1.15 2.80 0.00 0.00 179.97 184.42 3ibb h THR 458 N -0.15 1.26 -0.53 0.20 2.02 -1.50 -2.73 112.91 111.49 3ibb h THR 458 Ca 0.02 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.10 3ibb h THR 458 Cb 0.49 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3ibb h THR 458 CO 0.01 0.33 -0.06 0.40 0.37 0.00 0.00 175.52 176.57 3ibb h ILE 459 N 0.44 1.27 -0.38 3.11 1.08 0.13 -3.03 117.51 120.13 3ibb h ILE 459 Ca 0.10 -1.20 -0.15 0.00 -0.39 0.00 0.00 64.86 63.22 3ibb h ILE 459 Cb 0.48 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 3ibb h ILE 459 CO 0.02 0.42 -0.35 0.00 -0.69 0.00 0.00 178.15 177.55 3ibb h ALA 460 N 0.93 0.66 -2.73 1.87 0.00 -1.65 -3.43 119.26 114.91 3ibb h ALA 460 Ca 0.14 -0.44 -0.51 0.00 0.00 0.00 0.00 54.91 54.10 3ibb h ALA 460 Cb 0.62 -0.13 0.08 0.00 0.00 0.00 0.00 17.79 18.35 3ibb h ALA 460 CO 0.04 0.67 0.49 -0.51 0.00 0.00 0.00 179.25 179.94 3ibb s ASP 461 N -6.82 5.91 -0.62 0.00 -0.00 -1.03 -4.28 116.67 109.83 3ibb s ASP 461 Ca -0.10 2.35 -0.01 0.00 -0.00 0.00 0.00 52.55 54.78 3ibb s ASP 461 Cb 0.12 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.44 3ibb s ASP 461 CO 0.87 -1.10 0.60 0.00 -0.00 0.00 0.00 175.17 175.54 3ibb n ALA 462 N -0.77 -2.44 -0.23 5.23 0.00 -1.26 -4.92 120.51 116.11 3ibb n ALA 462 Ca 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 3ibb n ALA 462 Cb 0.48 -1.53 0.04 0.00 0.00 0.00 0.00 19.45 18.44 3ibb n ALA 462 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ibb h GLY 463 N 0.55 1.04 -3.32 0.00 0.00 -1.89 -3.35 103.07 96.09 3ibb h GLY 463 Ca 0.00 -0.58 -0.53 0.00 0.00 0.00 0.00 47.33 46.22 3ibb h GLY 463 CO 0.25 0.55 0.63 -0.35 0.00 0.00 0.00 176.54 177.62 3ibb s ASP 464 N -6.19 6.10 -1.51 0.19 3.68 -1.26 -2.28 116.67 115.40 3ibb s ASP 464 Ca -0.13 2.71 -0.05 0.00 2.13 0.00 0.00 52.55 57.21 3ibb s ASP 464 Cb 0.13 -2.64 0.02 0.00 -1.45 0.00 0.00 42.92 38.98 3ibb s ASP 464 CO 0.81 -1.00 0.55 0.47 0.13 0.00 0.00 175.17 176.13 3ibb n ASP 465 N -0.09 -5.67 -0.01 -0.34 8.00 -1.26 -4.97 116.55 112.20 3ibb n ASP 465 Ca 0.05 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.13 3ibb n ASP 465 Cb 0.43 -4.61 -0.10 0.00 -0.02 0.00 0.00 41.12 36.83 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 1.00 0.00 -0.37 2.24 0.00 -1.59 -2.92 119.26 117.63 3ibb h ALA 466 Ca -0.51 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 3ibb h ALA 466 Cb 1.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3ibb h ALA 466 CO 0.56 -0.26 -0.02 1.49 0.00 0.00 0.00 179.25 181.02 3ibb h GLU 467 N -0.47 0.59 -0.98 0.00 4.57 -1.93 -3.27 114.58 113.09 3ibb h GLU 467 Ca 0.00 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3ibb h GLU 467 Cb 0.47 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 3ibb h GLU 467 CO 0.00 0.63 0.64 0.00 -1.18 0.00 0.00 179.01 179.09 3ibb h ALA 468 N 1.43 1.28 -0.56 2.92 0.00 -1.97 -0.08 119.26 122.29 3ibb h ALA 468 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ibb h ALA 468 Cb 0.38 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ibb h ALA 468 CO 0.01 0.66 0.25 1.15 0.00 0.00 0.00 179.25 181.32 3ibb h THR 469 N 1.33 1.21 -0.38 0.00 2.02 -1.57 -3.35 112.91 112.17 3ibb h THR 469 Ca 0.36 -0.62 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 3ibb h THR 469 Cb -0.13 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3ibb h THR 469 CO -0.07 0.25 -0.30 -0.09 0.37 0.00 0.00 175.52 175.67 3ibb h ARG 470 N 0.76 0.84 -0.54 6.66 2.43 -1.06 -1.82 114.38 121.64 3ibb h ARG 470 Ca 0.19 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3ibb h ARG 470 Cb 0.15 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3ibb h ARG 470 CO -0.02 1.03 0.28 0.00 -1.51 0.00 0.00 179.97 179.74 3ibb h ALA 471 N 0.94 1.47 -0.58 2.80 0.00 -1.63 -1.41 119.26 120.85 3ibb h ALA 471 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 471 Cb 0.86 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ibb h ALA 471 CO 0.08 0.43 0.28 -0.09 0.00 0.00 0.00 179.25 179.95 3ibb h ARG 472 N 0.76 0.83 -0.11 0.00 1.12 -1.48 0.56 114.38 116.06 3ibb h ARG 472 Ca 0.19 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 3ibb h ARG 472 Cb 0.05 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 3ibb h ARG 472 CO -0.03 0.67 0.02 -0.07 -3.11 0.00 0.00 179.97 177.45 3ibb h LEU 473 N 0.79 0.17 -0.65 3.80 3.38 -1.46 -3.08 115.31 118.26 3ibb h LEU 473 Ca 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ibb h LEU 473 Cb 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3ibb h LEU 473 CO -0.03 0.38 0.27 0.40 0.09 0.00 0.00 178.44 179.56 3ibb h ILE 474 N -0.05 1.23 -0.63 1.22 2.04 -0.48 -0.25 117.51 120.59 3ibb h ILE 474 Ca 0.03 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 3ibb h ILE 474 Cb 0.29 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3ibb h ILE 474 CO 0.00 0.28 0.16 -0.61 0.00 0.00 0.00 178.15 177.99 3ibb h GLN 475 N 0.91 1.00 -0.74 2.37 -0.00 -0.05 -0.93 115.11 117.67 3ibb h GLN 475 Ca 0.22 -0.23 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 3ibb h GLN 475 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 3ibb h GLN 475 CO -0.02 0.90 0.31 0.93 0.00 0.00 0.00 178.83 180.95 3ibb h GLU 476 N 0.92 1.08 -0.21 1.69 5.08 -1.36 -2.60 114.58 119.18 3ibb h GLU 476 Ca 0.20 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3ibb h GLU 476 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3ibb h GLU 476 CO 0.00 0.87 0.03 -0.92 -1.00 0.00 0.00 179.01 177.99 3ibb h TYR 477 N 1.06 0.37 -0.56 4.33 5.03 -0.77 0.13 116.97 126.56 3ibb h TYR 477 Ca 0.25 -0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.39 3ibb h TYR 477 Cb 0.18 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 3ibb h TYR 477 CO 0.02 0.50 -0.09 1.05 -1.32 0.00 0.00 178.16 178.32 3ibb h GLU 478 N 0.14 1.05 -0.02 1.82 4.11 -1.24 -1.50 114.58 118.94 3ibb h GLU 478 Ca 0.06 -0.38 -0.00 0.00 0.07 0.00 0.00 59.36 59.11 3ibb h GLU 478 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ibb h GLU 478 CO 0.00 1.08 0.01 -0.44 0.07 0.00 0.00 179.01 179.73 3ibb h ASP 479 N 0.94 0.03 -0.25 3.06 3.32 -1.53 -1.84 116.42 120.14 3ibb h ASP 479 Ca 0.15 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3ibb h ASP 479 Cb 0.66 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ibb h ASP 479 CO 0.05 0.07 0.06 0.00 -1.72 0.00 0.00 179.24 177.69 3ibb h ALA 480 N 0.95 0.34 0.00 3.45 0.00 -0.76 -3.41 119.26 119.83 3ibb h ALA 480 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ibb h ALA 480 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ibb h ALA 480 CO -0.00 0.00 -1.01 -0.11 0.00 0.00 0.00 179.25 178.13 3ibb n LEU 481 N -4.70 0.00 -3.88 0.00 7.94 -0.57 -4.74 117.00 111.06 3ibb n LEU 481 Ca -0.03 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.45 3ibb n LEU 481 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.14 3ibb n LEU 481 CO 0.37 0.00 2.31 0.18 -1.11 0.00 0.00 177.39 179.13 3ibb n LEU 482 N -1.67 6.57 -3.80 -1.96 4.32 -0.69 -4.81 117.00 114.96 3ibb n LEU 482 Ca -0.00 -4.33 -0.10 0.00 -0.02 0.00 0.00 56.01 51.57 3ibb n LEU 482 Cb 0.17 -1.60 -0.07 0.00 -1.62 0.00 0.00 43.42 40.31 3ibb n LEU 482 CO 0.00 1.12 -0.03 0.20 -1.22 0.00 0.00 177.39 177.47 3ibb s ASN 483 N 2.39 0.01 0.58 -1.43 0.01 -1.26 -4.83 114.94 110.41 3ibb s ASN 483 Ca 0.45 -0.49 0.37 0.00 -0.71 0.00 0.00 52.86 52.48 3ibb s ASN 483 Cb 0.11 0.36 1.71 0.00 0.41 0.00 0.00 41.25 43.84 3ibb s ASN 483 CO -0.04 -0.72 2.10 1.55 -1.51 0.00 0.00 177.10 178.48 3ibb h PRO 484 N 2.81 0.00 -0.85 -0.60 0.13 -1.86 -3.21 132.00 128.43 3ibb h PRO 484 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 3ibb h PRO 484 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3ibb h PRO 484 CO 0.52 0.00 0.48 1.88 -0.23 0.00 0.00 178.00 180.65 3ibb h TYR 485 N 0.00 1.15 -0.93 1.56 0.05 -1.93 0.41 116.97 117.28 3ibb h TYR 485 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ibb h TYR 485 Cb 0.33 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 3ibb h TYR 485 CO 0.00 0.79 0.58 1.15 -1.05 0.00 0.00 178.16 179.62 3ibb h THR 486 N 1.18 1.25 -0.01 -2.88 2.02 -1.87 -0.86 112.91 111.75 3ibb h THR 486 Ca 0.30 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 3ibb h THR 486 Cb 0.01 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.35 3ibb h THR 486 CO -0.05 0.26 -0.52 0.00 0.37 0.00 0.00 175.52 175.57 3ibb h ALA 487 N 1.32 0.08 -0.87 6.16 0.00 -1.49 -3.33 119.26 121.12 3ibb h ALA 487 Ca 0.33 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ibb h ALA 487 Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 487 CO -0.07 0.30 0.47 0.00 0.00 0.00 0.00 179.25 179.96 3ibb h ALA 488 N 0.32 1.20 -0.78 0.00 0.00 -0.22 0.41 119.26 120.19 3ibb h ALA 488 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ibb h ALA 488 Cb 1.24 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3ibb h ALA 488 CO 0.10 0.65 0.49 1.49 0.00 0.00 0.00 179.25 181.98 3ibb h GLU 489 N 1.22 1.04 -0.03 0.00 4.81 -1.26 2.46 114.58 122.82 3ibb h GLU 489 Ca 0.31 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3ibb h GLU 489 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3ibb h GLU 489 CO -0.05 0.72 -0.13 0.00 -0.73 0.00 0.00 179.01 178.82 3ibb h ARG 490 N 1.06 0.04 0.00 1.92 2.47 -1.67 -3.47 114.38 114.74 3ibb h ARG 490 Ca 0.28 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 3ibb h ARG 490 Cb -0.08 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3ibb h ARG 490 CO -0.06 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.05 3ibb n GLY 491 N -1.12 0.97 0.35 0.04 0.00 0.83 -5.00 105.19 101.25 3ibb n GLY 491 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.96 -3.75 1.61 0.99 -0.32 -3.40 116.97 113.06 3ibb h TYR 492 Ca 0.00 0.02 -0.68 0.00 2.00 0.00 0.00 58.73 60.07 3ibb h TYR 492 Cb 0.00 -0.33 -0.30 0.00 1.00 0.00 0.00 36.73 37.10 3ibb h TYR 492 CO 0.00 0.61 -0.85 0.08 -0.00 0.00 0.00 178.16 178.00 3ibb s VAL 493 N -5.85 2.31 0.16 -2.88 1.01 -1.19 -4.63 120.40 109.33 3ibb s VAL 493 Ca -0.11 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 3ibb s VAL 493 Cb 0.18 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.73 3ibb s VAL 493 CO 0.78 0.56 1.73 0.44 0.00 0.00 0.00 175.10 178.62 3ibb h ASP 494 N 6.24 0.68 -5.08 3.32 5.19 -1.30 -3.40 116.42 122.08 3ibb h ASP 494 Ca -0.29 -0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 55.88 3ibb h ASP 494 Cb 1.19 -0.18 -0.17 0.00 0.18 0.00 0.00 39.33 40.36 3ibb h ASP 494 CO 0.49 0.63 -0.35 0.00 -3.12 0.00 0.00 179.24 176.89 3ibb s ALA 495 N -5.67 -0.43 -0.25 3.45 0.00 -1.16 -5.05 121.76 112.65 3ibb s ALA 495 Ca -0.13 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 3ibb s ALA 495 Cb 0.12 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3ibb s ALA 495 CO 0.77 -0.40 0.06 0.08 0.00 0.00 0.00 175.76 176.27 3ibb s VAL 496 N -2.76 4.16 -0.04 0.00 1.01 -1.26 -2.60 120.40 118.92 3ibb s VAL 496 Ca -0.04 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3ibb s VAL 496 Cb -0.00 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3ibb s VAL 496 CO -0.05 0.30 -0.23 0.27 0.00 0.00 0.00 175.10 175.39 3ibb s ILE 497 N 1.58 1.86 0.60 2.22 -4.36 -0.51 -4.96 121.20 117.64 3ibb s ILE 497 Ca 0.06 -0.98 -0.19 0.00 -0.26 0.00 0.00 60.65 59.28 3ibb s ILE 497 Cb -0.15 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 3ibb s ILE 497 CO 0.03 0.52 1.25 -0.32 0.24 0.00 0.00 174.94 176.66 3ibb s MET 498 N -0.27 2.89 0.40 0.37 -2.45 -1.26 -4.22 119.30 114.76 3ibb s MET 498 Ca 0.01 1.94 0.09 0.00 -1.25 0.00 0.00 55.69 56.48 3ibb s MET 498 Cb -0.12 -1.95 0.89 0.00 1.25 0.00 0.00 34.83 34.90 3ibb s MET 498 CO 0.02 -1.30 1.99 -1.35 1.05 0.00 0.00 175.02 175.43 3ibb h PRO 499 N 0.88 0.55 0.00 4.11 0.11 -1.95 4.12 132.00 139.83 3ibb h PRO 499 Ca -0.51 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3ibb h PRO 499 Cb 1.31 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ibb h PRO 499 CO 0.55 0.36 -0.08 0.66 -0.21 0.00 0.00 178.00 179.28 3ibb h SER 500 N 0.57 0.00 0.25 -2.05 4.64 -1.88 -2.66 113.55 112.41 3ibb h SER 500 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 3ibb h SER 500 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3ibb h SER 500 CO -0.08 0.08 -0.22 0.44 -0.87 0.00 0.00 176.83 176.19 3ibb h ASP 501 N 0.00 0.00 -0.67 4.97 3.32 0.77 -3.36 116.42 121.45 3ibb h ASP 501 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ibb h ASP 501 Cb 0.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3ibb h ASP 501 CO 0.01 0.22 0.33 0.00 -1.72 0.00 0.00 179.24 178.07 3ibb h THR 502 N 0.00 1.23 -0.74 0.35 1.03 -1.48 -1.79 112.91 111.51 3ibb h THR 502 Ca -0.00 -0.63 0.04 0.00 -0.01 0.00 0.00 66.41 65.81 3ibb h THR 502 Cb 0.40 0.40 -0.05 0.00 -1.07 0.00 0.00 68.15 67.82 3ibb h THR 502 CO 0.03 0.26 0.45 -0.09 -0.01 0.00 0.00 175.52 176.16 3ibb h ARG 503 N 0.93 0.84 -0.59 0.00 2.43 -1.82 0.30 114.38 116.48 3ibb h ARG 503 Ca 0.23 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3ibb h ARG 503 Cb 0.11 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3ibb h ARG 503 CO -0.03 0.55 0.29 -0.09 -1.51 0.00 0.00 179.97 179.18 3ibb h ARG 504 N 0.86 0.85 -0.53 0.20 2.43 -1.70 -1.00 114.38 115.49 3ibb h ARG 504 Ca 0.31 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3ibb h ARG 504 Cb 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3ibb h ARG 504 CO -0.14 0.69 -0.09 0.45 -1.51 0.00 0.00 179.97 179.37 3ibb h HIS 505 N 0.81 1.11 -0.52 2.20 3.86 -0.81 -2.37 115.15 119.43 3ibb h HIS 505 Ca 0.20 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3ibb h HIS 505 Cb 0.11 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3ibb h HIS 505 CO -0.00 1.04 0.24 0.82 0.86 0.00 0.00 177.93 180.89 3ibb h ILE 506 N 0.87 1.20 0.13 2.45 2.04 -0.36 -2.86 117.51 120.98 3ibb h ILE 506 Ca 0.14 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3ibb h ILE 506 Cb 0.66 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3ibb h ILE 506 CO 0.05 0.22 -0.06 0.58 0.00 0.00 0.00 178.15 178.94 3ibb h VAL 507 N 0.69 1.02 -0.26 1.67 2.07 -1.20 -1.48 116.25 118.75 3ibb h VAL 507 Ca 0.18 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ibb h VAL 507 Cb 0.13 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3ibb h VAL 507 CO -0.02 0.15 0.07 -0.09 0.02 0.00 0.00 177.57 177.70 3ibb h ARG 508 N -0.48 0.42 -0.19 1.57 9.65 -1.56 -3.17 114.38 120.61 3ibb h ARG 508 Ca -0.02 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.70 3ibb h ARG 508 Cb 0.38 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3ibb h ARG 508 CO 0.03 0.51 -0.15 0.78 2.80 0.00 0.00 179.97 183.94 3ibb h GLY 509 N 0.26 0.34 1.03 2.80 0.00 -1.61 -1.53 103.07 104.36 3ibb h GLY 509 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3ibb h GLY 509 CO -0.00 0.21 0.50 1.41 0.00 0.00 0.00 176.54 178.66 3ibb h LEU 510 N 0.30 1.13 -0.01 3.11 3.38 -1.31 -1.62 115.31 120.28 3ibb h LEU 510 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ibb h LEU 510 Cb 0.44 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ibb h LEU 510 CO 0.03 0.90 0.01 0.03 0.09 0.00 0.00 178.44 179.49 3ibb h ARG 511 N 1.27 0.02 -0.41 1.13 3.08 -1.26 0.68 114.38 118.89 3ibb h ARG 511 Ca 0.32 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 3ibb h ARG 511 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3ibb h ARG 511 CO -0.05 0.03 -0.01 1.96 -1.07 0.00 0.00 179.97 180.82 3ibb h GLN 512 N 0.00 0.74 0.00 0.04 1.08 -1.49 -2.46 115.11 113.03 3ibb h GLN 512 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3ibb h GLN 512 Cb 0.01 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3ibb h GLN 512 CO -0.00 0.83 0.00 1.28 -0.95 0.00 0.00 178.83 179.99 3ibb n LEU 513 N -4.41 0.18 0.28 1.46 7.99 -0.61 -3.76 117.00 118.12 3ibb n LEU 513 Ca -0.01 0.55 0.14 0.00 -0.01 0.00 0.00 56.01 56.67 3ibb n LEU 513 Cb 0.30 -0.52 0.80 0.00 -0.11 0.00 0.00 43.42 43.88 3ibb n LEU 513 CO 0.41 -0.34 1.03 -0.09 -1.51 0.00 0.00 177.39 176.88 3ibb h ARG 514 N 0.00 0.00 -0.59 3.23 2.43 -0.38 0.17 114.38 119.24 3ibb h ARG 514 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ibb h ARG 514 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3ibb h ARG 514 CO 0.00 0.08 0.00 0.25 -1.51 0.00 0.00 179.97 178.79 3ibb n THR 515 N -3.71 0.81 -1.93 0.20 -2.24 -1.25 -4.98 114.28 101.18 3ibb n THR 515 Ca -0.02 -0.79 -0.39 0.00 -2.27 0.00 0.00 64.05 60.58 3ibb n THR 515 Cb 0.18 0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.81 3ibb n THR 515 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ibb s LYS 516 N -1.23 3.50 0.04 -0.78 2.20 0.60 -5.06 119.74 119.01 3ibb s LYS 516 Ca 0.39 2.16 -0.02 0.00 -0.36 0.00 0.00 55.97 58.14 3ibb s LYS 516 Cb 0.21 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 34.06 3ibb s LYS 516 CO 0.27 -0.88 0.02 -0.98 -0.36 0.00 0.00 175.35 173.42 3ibb s ARG 517 N -2.67 0.54 0.16 4.03 1.70 -1.26 -4.95 118.95 116.51 3ibb s ARG 517 Ca 0.65 -0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 54.93 3ibb s ARG 517 Cb -0.38 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.18 3ibb s ARG 517 CO 0.47 -0.11 0.24 -1.21 -1.08 0.00 0.00 175.30 173.60 3ibb s GLU 518 N -2.92 1.14 0.08 3.89 2.02 -1.26 -5.16 118.70 116.48 3ibb s GLU 518 Ca -0.02 -1.27 0.05 0.00 0.02 0.00 0.00 54.97 53.75 3ibb s GLU 518 Cb 0.01 0.35 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 3ibb s GLU 518 CO -0.06 -0.40 -0.15 -1.54 0.02 0.00 0.00 175.26 173.13 3ibb s SER 519 N -3.00 1.77 0.25 -0.19 1.04 -1.26 -5.15 113.70 107.15 3ibb s SER 519 Ca 0.21 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 3ibb s SER 519 Cb 0.04 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3ibb s SER 519 CO 0.02 -0.08 0.61 -0.22 0.98 0.00 0.00 173.24 174.55 3ibb s LEU 520 N -1.86 -0.06 0.52 2.42 0.20 -1.26 -5.17 118.68 113.48 3ibb s LEU 520 Ca 0.00 -0.63 -0.21 0.00 0.69 0.00 0.00 54.13 53.98 3ibb s LEU 520 Cb -0.09 2.35 -0.06 0.00 -0.43 0.00 0.00 46.19 47.96 3ibb s LEU 520 CO 0.02 -1.21 1.18 -2.84 -0.29 0.00 0.00 176.35 173.21 3ibb s PRO 521 N -3.93 3.41 0.30 0.98 0.02 -1.26 -5.01 135.00 129.51 3ibb s PRO 521 Ca 0.13 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 3ibb s PRO 521 Cb -0.03 -2.15 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 3ibb s PRO 521 CO 0.04 -0.84 1.37 -1.25 -0.33 0.00 0.00 177.00 175.99 3ibb s PRO 522 N -3.05 4.30 0.11 5.54 0.04 -1.26 -5.05 135.00 135.63 3ibb s PRO 522 Ca 0.70 2.27 -0.25 0.00 0.04 0.00 0.00 61.00 63.77 3ibb s PRO 522 Cb -0.28 -3.08 0.07 0.00 0.04 0.00 0.00 34.50 31.25 3ibb s PRO 522 CO 0.33 -0.30 0.62 -1.59 0.04 0.00 0.00 177.00 176.10 3ibb s LYS 523 N -1.27 1.22 0.12 4.56 -2.85 -1.26 -5.05 119.74 115.22 3ibb s LYS 523 Ca 0.53 -0.32 -0.17 0.00 -1.00 0.00 0.00 55.97 55.01 3ibb s LYS 523 Cb -0.41 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 3ibb s LYS 523 CO 0.50 -0.51 1.65 0.87 0.10 0.00 0.00 175.35 177.96 3ibb h LYS 524 N 2.19 0.54 -2.73 1.78 1.57 -2.08 -3.47 116.57 114.38 3ibb h LYS 524 Ca -0.32 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 58.42 3ibb h LYS 524 Cb 1.28 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 3ibb h LYS 524 CO 0.38 0.55 0.33 -3.38 -0.57 0.00 0.00 179.45 176.75 3ibb s HIS 525 N -5.47 -0.31 -0.10 -1.35 -3.43 -1.26 -5.15 115.29 98.22 3ibb s HIS 525 Ca -0.13 0.02 0.03 0.00 -0.80 0.00 0.00 55.06 54.18 3ibb s HIS 525 Cb 0.09 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.86 3ibb s HIS 525 CO 0.75 -0.91 -0.21 0.20 -2.00 0.00 0.00 174.74 172.57 3ibb s GLY 526 N -2.79 1.38 -0.15 -1.38 0.00 -1.26 -5.12 107.32 98.01 3ibb s GLY 526 Ca 0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3ibb s GLY 526 CO -0.03 -0.35 -0.07 0.21 0.00 0.00 0.00 173.10 172.87 3ibb s ASN 527 N 0.25 4.55 0.47 1.64 3.84 -1.26 -5.09 114.94 119.34 3ibb s ASN 527 Ca -0.14 -0.19 -0.20 0.00 0.21 0.00 0.00 52.86 52.54 3ibb s ASN 527 Cb -0.17 -1.73 -0.09 0.00 -0.55 0.00 0.00 41.25 38.71 3ibb s ASN 527 CO 0.07 0.17 0.99 -0.63 -2.79 0.00 0.00 177.10 174.91 3ibb s ILE 528 N 0.37 4.16 -0.55 -5.21 1.09 -1.26 -4.93 121.20 114.87 3ibb s ILE 528 Ca -0.06 1.28 -0.28 0.00 -1.10 0.00 0.00 60.65 60.50 3ibb s ILE 528 Cb -0.15 -3.55 0.01 0.00 -1.06 0.00 0.00 42.46 37.71 3ibb s ILE 528 CO 0.04 -0.35 1.47 -2.84 -0.10 0.00 0.00 174.94 173.16 3ibb s PRO 529 N -3.36 3.26 0.00 2.79 0.02 -1.26 -5.10 135.00 131.34 3ibb s PRO 529 Ca 0.64 0.52 0.20 0.00 0.02 0.00 0.00 61.00 62.37 3ibb s PRO 529 Cb -0.12 -4.15 1.17 0.00 0.02 0.00 0.00 34.50 31.42 3ibb s PRO 529 CO 0.19 -1.99 1.56 1.28 -0.33 0.00 0.00 177.00 177.71