#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibb n ILE 11 N 0.00 0.00 -0.36 5.18 0.13 -1.26 -4.12 119.36 118.92 3ibb n ILE 11 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.64 3ibb n ILE 11 Cb 0.00 -0.74 0.13 0.00 -0.84 0.00 0.00 39.64 38.19 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 1.23 -4.04 9.51 3.86 -2.03 -3.36 115.15 120.33 3ibb h HIS 12 Ca 0.00 0.03 -0.46 0.00 -1.16 0.00 0.00 60.37 58.77 3ibb h HIS 12 Cb 0.75 -0.42 0.01 0.00 1.06 0.00 0.00 27.41 28.81 3ibb h HIS 12 CO 0.00 0.77 0.38 0.95 0.86 0.00 0.00 177.93 180.88 3ibb s THR 13 N -6.09 3.95 0.14 2.45 -4.23 -1.26 -4.92 115.64 105.69 3ibb s THR 13 Ca -0.13 1.29 -0.14 0.00 -1.18 0.00 0.00 61.69 61.53 3ibb s THR 13 Cb 0.18 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.46 3ibb s THR 13 CO 0.82 -0.19 1.62 0.74 -0.54 0.00 0.00 174.62 177.06 3ibb h THR 14 N 1.84 1.25 -0.53 3.99 2.02 -1.96 -1.68 112.91 117.83 3ibb h THR 14 Ca -0.49 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 65.74 3ibb h THR 14 Cb 1.21 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3ibb h THR 14 CO 0.60 0.32 0.19 0.00 0.37 0.00 0.00 175.52 177.00 3ibb h ALA 15 N 0.94 1.34 -0.71 6.16 0.00 -1.95 -2.93 119.26 122.12 3ibb h ALA 15 Ca 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ibb h ALA 15 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ibb h ALA 15 CO 0.01 0.49 0.24 0.78 0.00 0.00 0.00 179.25 180.77 3ibb h GLY 16 N 0.91 1.18 0.95 0.00 0.00 -1.67 -3.01 103.07 101.43 3ibb h GLY 16 Ca 0.18 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3ibb h GLY 16 CO -0.01 0.64 0.17 0.50 0.00 0.00 0.00 176.54 177.84 3ibb h LYS 17 N 1.04 0.64 -0.60 4.80 1.57 -1.13 0.59 116.57 123.49 3ibb h LYS 17 Ca 0.23 -0.12 0.17 0.00 -1.87 0.00 0.00 60.65 59.06 3ibb h LYS 17 Cb 0.27 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3ibb h LYS 17 CO -0.01 0.59 0.43 -0.07 -0.57 0.00 0.00 179.45 179.82 3ibb h LEU 18 N 0.55 0.05 -0.90 2.94 4.07 -1.62 0.99 115.31 121.38 3ibb h LEU 18 Ca 0.14 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.15 3ibb h LEU 18 Cb 0.19 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 3ibb h LEU 18 CO -0.01 0.02 0.58 0.00 -1.08 0.00 0.00 178.44 177.95 3ibb h ALA 19 N 1.70 1.21 -0.59 1.53 0.00 0.27 -2.65 119.26 120.73 3ibb h ALA 19 Ca 0.29 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3ibb h ALA 19 Cb 1.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3ibb h ALA 19 CO -0.02 0.40 -0.04 -0.44 0.00 0.00 0.00 179.25 179.15 3ibb h ASP 20 N 1.10 1.06 -0.73 0.00 3.32 0.24 -3.13 116.42 118.27 3ibb h ASP 20 Ca 0.37 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3ibb h ASP 20 Cb 0.07 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3ibb h ASP 20 CO -0.14 1.12 0.35 0.17 -1.72 0.00 0.00 179.24 179.02 3ibb h LEU 21 N 0.96 0.98 -1.04 1.55 8.10 -0.93 -2.30 115.31 122.64 3ibb h LEU 21 Ca 0.16 -0.12 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 3ibb h LEU 21 Cb 0.61 -0.25 -0.04 0.00 -0.44 0.00 0.00 40.66 40.53 3ibb h LEU 21 CO 0.04 0.84 0.49 0.03 -4.11 0.00 0.00 178.44 175.72 3ibb h ARG 22 N 1.07 1.15 -0.46 0.17 3.08 -1.46 3.52 114.38 121.45 3ibb h ARG 22 Ca 0.26 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3ibb h ARG 22 Cb 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3ibb h ARG 22 CO -0.03 0.82 0.24 -0.09 -1.07 0.00 0.00 179.97 179.84 3ibb h ARG 23 N 1.17 0.66 0.00 0.04 2.43 -1.58 0.56 114.38 117.66 3ibb h ARG 23 Ca 0.30 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3ibb h ARG 23 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3ibb h ARG 23 CO -0.05 0.54 -0.49 0.00 -1.51 0.00 0.00 179.97 178.46 3ibb h ARG 24 N 0.61 0.00 -0.51 0.20 3.08 -0.25 -1.14 114.38 116.37 3ibb h ARG 24 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3ibb h ARG 24 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ibb h ARG 24 CO -0.02 0.49 0.23 0.82 -1.07 0.00 0.00 179.97 180.42 3ibb h ILE 25 N 0.00 1.20 -0.74 2.04 2.04 0.70 -2.63 117.51 120.12 3ibb h ILE 25 Ca -0.00 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 3ibb h ILE 25 Cb 1.09 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3ibb h ILE 25 CO 0.06 0.23 0.23 -0.08 0.00 0.00 0.00 178.15 178.59 3ibb h GLU 26 N 0.68 1.16 -0.31 2.37 4.57 0.19 -2.99 114.58 120.23 3ibb h GLU 26 Ca 0.17 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3ibb h GLU 26 Cb 0.15 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3ibb h GLU 26 CO -0.02 0.98 0.14 0.93 -1.18 0.00 0.00 179.01 179.86 3ibb h GLU 27 N 1.11 0.46 -0.12 1.92 5.08 -1.25 -2.80 114.58 118.97 3ibb h GLU 27 Ca 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3ibb h GLU 27 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ibb h GLU 27 CO -0.01 0.45 0.05 0.00 -1.00 0.00 0.00 179.01 178.50 3ibb h ALA 28 N 0.99 0.16 -0.23 3.43 0.00 -1.33 -2.13 119.26 120.15 3ibb h ALA 28 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3ibb h ALA 28 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ibb h ALA 28 CO -0.01 -0.26 -0.00 1.79 0.00 0.00 0.00 179.25 180.77 3ibb h THR 29 N 0.05 1.26 -1.33 0.00 1.35 -1.65 -3.02 112.91 109.56 3ibb h THR 29 Ca 0.04 -0.89 -0.72 0.00 -0.55 0.00 0.00 66.41 64.29 3ibb h THR 29 Cb 0.15 1.39 -0.13 0.00 -1.73 0.00 0.00 68.15 67.84 3ibb h THR 29 CO -0.00 0.28 1.99 1.41 -0.25 0.00 0.00 175.52 178.94 3ibb n HIS 30 N -4.66 4.24 -0.08 4.73 8.25 -1.06 -4.76 115.22 121.88 3ibb n HIS 30 Ca -0.04 -3.04 -0.21 0.00 -0.26 0.00 0.00 57.72 54.17 3ibb n HIS 30 Cb 0.24 -2.31 -0.12 0.00 1.12 0.00 0.00 29.99 28.91 3ibb n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibb n ALA 31 N 6.05 1.15 -1.75 -1.41 0.00 -0.82 -4.64 120.51 119.08 3ibb n ALA 31 Ca 0.43 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 3ibb n ALA 31 Cb 0.42 -0.33 0.03 0.00 0.00 0.00 0.00 19.45 19.57 3ibb n ALA 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ibb s GLY 32 N -5.91 2.76 0.55 0.00 0.00 -1.26 -4.95 107.32 98.52 3ibb s GLY 32 Ca -0.30 1.04 -0.21 0.00 0.00 0.00 0.00 44.72 45.25 3ibb s GLY 32 CO 0.65 1.45 1.26 -0.45 0.00 0.00 0.00 173.10 176.01 3ibb s SER 33 N -1.51 5.35 0.38 1.64 0.15 -1.26 -4.77 113.70 113.68 3ibb s SER 33 Ca 0.76 2.54 0.06 0.00 0.70 0.00 0.00 55.95 60.01 3ibb s SER 33 Cb -0.31 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.14 3ibb s SER 33 CO 0.35 -1.49 2.01 0.00 1.20 0.00 0.00 173.24 175.30 3ibb h ALA 34 N 1.30 1.67 -0.70 5.45 0.00 -1.99 0.41 119.26 125.41 3ibb h ALA 34 Ca -0.50 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3ibb h ALA 34 Cb 1.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3ibb h ALA 34 CO 0.57 0.26 0.24 0.07 0.00 0.00 0.00 179.25 180.39 3ibb h ARG 35 N 0.71 1.06 -0.51 0.00 0.11 -2.00 -2.79 114.38 110.96 3ibb h ARG 35 Ca 0.24 -0.20 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 3ibb h ARG 35 Cb 0.07 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 30.96 3ibb h ARG 35 CO -0.06 0.89 0.19 0.00 0.10 0.00 0.00 179.97 181.09 3ibb h ALA 36 N 1.23 0.67 -0.56 0.08 0.00 -0.58 -0.42 119.26 119.68 3ibb h ALA 36 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ibb h ALA 36 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ibb h ALA 36 CO -0.01 0.29 0.37 0.28 0.00 0.00 0.00 179.25 180.18 3ibb h VAL 37 N 0.69 1.14 -0.18 0.00 2.07 -0.94 0.15 116.25 119.17 3ibb h VAL 37 Ca 0.17 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ibb h VAL 37 Cb 0.22 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3ibb h VAL 37 CO -0.01 0.14 -0.05 -0.08 0.02 0.00 0.00 177.57 177.59 3ibb h GLU 38 N 0.75 0.36 -0.59 1.57 4.57 -1.50 -1.79 114.58 117.94 3ibb h GLU 38 Ca 0.21 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3ibb h GLU 38 Cb -0.08 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3ibb h GLU 38 CO -0.05 0.62 0.26 -0.22 -1.18 0.00 0.00 179.01 178.44 3ibb h LYS 39 N 0.07 0.87 -0.33 1.92 3.64 -0.49 0.47 116.57 122.73 3ibb h LYS 39 Ca 0.05 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3ibb h LYS 39 Cb 0.49 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3ibb h LYS 39 CO 0.02 0.73 0.06 0.37 -2.27 0.00 0.00 179.45 178.36 3ibb h GLN 40 N 0.82 0.54 -0.56 1.90 5.75 -0.81 -3.11 115.11 119.62 3ibb h GLN 40 Ca 0.20 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3ibb h GLN 40 Cb 0.17 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3ibb h GLN 40 CO -0.02 0.62 0.03 0.45 -2.65 0.00 0.00 178.83 177.26 3ibb h HIS 41 N 0.37 1.01 -0.83 3.99 3.86 -1.31 -2.85 115.15 119.40 3ibb h HIS 41 Ca 0.10 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3ibb h HIS 41 Cb 0.34 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3ibb h HIS 41 CO 0.02 0.90 0.42 0.00 0.86 0.00 0.00 177.93 180.13 3ibb h ALA 42 N 1.14 1.07 -0.84 2.45 0.00 -0.83 0.54 119.26 122.79 3ibb h ALA 42 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ibb h ALA 42 Cb 0.47 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3ibb h ALA 42 CO 0.02 0.61 0.40 0.87 0.00 0.00 0.00 179.25 181.15 3ibb h LYS 43 N 1.17 1.20 0.00 0.00 1.57 -1.69 -3.46 116.57 115.36 3ibb h LYS 43 Ca 0.29 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ibb h LYS 43 Cb 0.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3ibb h LYS 43 CO -0.04 0.92 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 3ibb n GLY 44 N -1.03 -0.54 3.79 3.86 0.00 0.18 -5.15 105.19 106.30 3ibb n GLY 44 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.65 0.06 1.61 1.02 -1.07 -4.98 119.74 119.03 3ibb s LYS 45 Ca 0.00 1.09 0.09 0.00 0.02 0.00 0.00 55.97 57.18 3ibb s LYS 45 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3ibb s LYS 45 CO 0.00 -1.33 -0.26 -0.51 -0.92 0.00 0.00 175.35 172.33 3ibb s LEU 46 N -5.60 2.20 0.38 3.17 1.02 -1.26 -3.86 118.68 114.73 3ibb s LEU 46 Ca 0.60 -0.62 -0.25 0.00 0.02 0.00 0.00 54.13 53.88 3ibb s LEU 46 Cb -0.16 -1.23 -0.12 0.00 0.02 0.00 0.00 46.19 44.71 3ibb s LEU 46 CO 0.53 0.23 1.01 0.41 0.02 0.00 0.00 176.35 178.55 3ibb n THR 47 N 1.60 2.27 -0.33 5.49 -1.04 -1.26 -4.52 114.28 116.49 3ibb n THR 47 Ca -0.17 -0.50 0.05 0.00 -2.04 0.00 0.00 64.05 61.38 3ibb n THR 47 Cb 0.52 -1.12 0.23 0.00 -1.82 0.00 0.00 70.33 68.14 3ibb n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ibb h ALA 48 N 1.68 1.50 -0.28 2.41 0.00 -1.95 2.52 119.26 125.13 3ibb h ALA 48 Ca -0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3ibb h ALA 48 Cb 1.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3ibb h ALA 48 CO 0.58 0.33 -0.13 -0.09 0.00 0.00 0.00 179.25 179.95 3ibb h ARG 49 N 1.05 0.48 -0.89 0.00 2.43 -1.89 -2.71 114.38 112.85 3ibb h ARG 49 Ca 0.43 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 3ibb h ARG 49 Cb 0.27 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3ibb h ARG 49 CO -0.18 0.61 0.58 0.93 -1.51 0.00 0.00 179.97 180.40 3ibb h GLU 50 N 0.45 1.02 -0.27 0.20 4.39 0.40 -1.18 114.58 119.58 3ibb h GLU 50 Ca 0.08 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3ibb h GLU 50 Cb 0.49 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3ibb h GLU 50 CO 0.03 0.67 0.07 0.00 -1.16 0.00 0.00 179.01 178.62 3ibb h ARG 51 N 1.05 0.43 -0.74 2.33 3.08 -0.59 -2.44 114.38 117.50 3ibb h ARG 51 Ca 0.38 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 3ibb h ARG 51 Cb 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3ibb h ARG 51 CO -0.13 0.52 0.27 0.82 -1.07 0.00 0.00 179.97 180.38 3ibb h ILE 52 N 0.27 1.26 -0.99 2.04 2.04 -1.14 0.12 117.51 121.11 3ibb h ILE 52 Ca 0.08 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3ibb h ILE 52 Cb 0.28 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3ibb h ILE 52 CO 0.00 0.34 0.66 0.44 0.00 0.00 0.00 178.15 179.58 3ibb h ASP 53 N 1.08 1.13 -0.19 1.72 3.32 -1.33 -1.94 116.42 120.22 3ibb h ASP 53 Ca 0.24 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3ibb h ASP 53 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ibb h ASP 53 CO -0.02 0.82 0.04 0.25 -1.72 0.00 0.00 179.24 178.62 3ibb h LEU 54 N 1.34 0.29 -0.54 1.55 6.46 -0.73 -3.34 115.31 120.34 3ibb h LEU 54 Ca 0.36 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 3ibb h LEU 54 Cb -0.16 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 3ibb h LEU 54 CO -0.08 0.45 -0.06 0.25 -0.62 0.00 0.00 178.44 178.38 3ibb h LEU 55 N 0.11 0.98 -8.53 2.25 5.85 -0.17 -3.47 115.31 112.34 3ibb h LEU 55 Ca 0.06 -0.33 -0.68 0.00 0.84 0.00 0.00 57.88 57.77 3ibb h LEU 55 Cb 0.28 -0.27 -0.30 0.00 0.37 0.00 0.00 40.66 40.74 3ibb h LEU 55 CO 0.00 1.08 -0.88 -1.48 -0.34 0.00 0.00 178.44 176.82 3ibb s LEU 56 N -9.28 2.05 0.65 2.25 2.34 -0.79 -4.73 118.68 111.16 3ibb s LEU 56 Ca -0.12 -0.46 -0.18 0.00 0.06 0.00 0.00 54.13 53.44 3ibb s LEU 56 Cb 0.12 -1.29 -0.01 0.00 -0.56 0.00 0.00 46.19 44.46 3ibb s LEU 56 CO 0.85 0.28 1.23 -1.81 -1.06 0.00 0.00 176.35 175.85 3ibb s ASP 57 N -0.44 4.76 0.33 1.48 1.01 1.15 -4.64 116.67 120.32 3ibb s ASP 57 Ca 0.05 2.45 -0.29 0.00 0.71 0.00 0.00 52.55 55.47 3ibb s ASP 57 Cb -0.11 -2.60 -0.12 0.00 1.01 0.00 0.00 42.92 41.10 3ibb s ASP 57 CO 0.00 -1.89 1.48 1.21 0.21 0.00 0.00 175.17 176.19 3ibb n GLU 58 N -1.98 2.52 -2.83 8.23 2.13 -1.26 -1.50 120.64 125.95 3ibb n GLU 58 Ca 0.14 0.89 -0.22 0.00 0.66 0.00 0.00 57.16 58.63 3ibb n GLU 58 Cb 0.49 -2.60 0.02 0.00 0.27 0.00 0.00 31.44 29.62 3ibb n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ibb n GLY 59 N 1.24 -0.52 0.01 8.31 0.00 -1.26 -4.93 105.19 108.05 3ibb n GLY 59 Ca 0.05 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3ibb n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ibb n SER 60 N -2.35 2.77 -4.75 1.61 2.88 -0.56 -5.01 113.62 108.21 3ibb n SER 60 Ca -0.15 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.97 3ibb n SER 60 Cb 0.64 1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 65.42 3ibb n SER 60 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3ibb s PHE 61 N -2.61 2.97 -0.12 0.66 5.36 -1.26 -4.05 117.98 118.93 3ibb s PHE 61 Ca -0.04 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 3ibb s PHE 61 Cb 0.06 -3.87 0.01 0.00 -0.34 0.00 0.00 43.02 38.88 3ibb s PHE 61 CO 0.40 -2.84 -0.18 0.08 -1.46 0.00 0.00 175.22 171.22 3ibb s VAL 62 N 0.01 1.73 0.45 3.12 1.01 0.03 -4.90 120.40 121.84 3ibb s VAL 62 Ca 0.60 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 3ibb s VAL 62 Cb -0.43 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 3ibb s VAL 62 CO 0.44 0.49 1.25 -0.70 0.00 0.00 0.00 175.10 176.58 3ibb s GLU 63 N 0.83 3.77 -0.02 2.72 2.12 -1.26 -1.08 118.70 125.77 3ibb s GLU 63 Ca -0.09 2.02 0.05 0.00 0.36 0.00 0.00 54.97 57.31 3ibb s GLU 63 Cb -0.16 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.67 3ibb s GLU 63 CO -0.00 -0.61 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.41 3ibb s LEU 64 N -2.81 2.00 -1.42 2.70 1.43 -0.48 -4.86 118.68 115.24 3ibb s LEU 64 Ca 0.62 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 3ibb s LEU 64 Cb -0.35 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 44.94 3ibb s LEU 64 CO 0.43 0.21 0.97 0.47 0.23 0.00 0.00 176.35 178.66 3ibb n ASP 65 N 2.77 -4.21 -0.33 2.29 9.92 -1.26 -4.50 116.55 121.23 3ibb n ASP 65 Ca -0.16 -0.72 -0.04 0.00 -0.53 0.00 0.00 54.79 53.34 3ibb n ASP 65 Cb 0.53 -4.27 0.09 0.00 -0.64 0.00 0.00 41.12 36.82 3ibb n ASP 65 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3ibb h GLU 66 N -2.18 1.25 0.17 -1.24 4.81 -1.91 -3.09 114.58 112.39 3ibb h GLU 66 Ca -0.59 -0.14 -0.31 0.00 -0.13 0.00 0.00 59.36 58.19 3ibb h GLU 66 Cb 1.37 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.51 3ibb h GLU 66 CO 0.61 0.91 -1.45 0.74 -0.73 0.00 0.00 179.01 179.09 3ibb h PHE 67 N 1.25 0.64 -3.18 0.92 0.04 -1.89 0.11 116.94 114.83 3ibb h PHE 67 Ca 0.32 -0.46 -0.57 0.00 2.80 0.00 0.00 57.97 60.06 3ibb h PHE 67 Cb 0.02 -0.03 0.10 0.00 2.20 0.00 0.00 35.95 38.24 3ibb h PHE 67 CO 0.01 1.43 0.61 0.00 -0.60 0.00 0.00 178.31 179.76 3ibb n ALA 68 N -2.66 1.50 -2.53 2.45 0.00 -1.17 -1.32 120.51 116.78 3ibb n ALA 68 Ca -0.15 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 3ibb n ALA 68 Cb 1.06 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.30 0.79 0.63 0.00 0.52 -1.26 -2.72 118.95 115.61 3ibb s ARG 69 Ca 0.60 -1.09 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 3ibb s ARG 69 Cb -0.57 -0.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.39 3ibb s ARG 69 CO 0.57 0.07 1.04 -3.38 0.02 0.00 0.00 175.30 173.63 3ibb s HIS 70 N -2.30 3.23 -1.38 -0.53 -3.43 -1.26 -5.00 115.29 104.62 3ibb s HIS 70 Ca 0.03 1.42 0.16 0.00 -0.80 0.00 0.00 55.06 55.88 3ibb s HIS 70 Cb -0.04 -2.87 0.48 0.00 -1.43 0.00 0.00 32.58 28.73 3ibb s HIS 70 CO -0.00 -0.99 1.40 0.54 -2.00 0.00 0.00 174.74 173.69 3ibb n ARG 71 N -2.61 2.86 -4.14 -0.38 1.74 -1.26 -4.99 116.66 107.87 3ibb n ARG 71 Ca 0.07 -2.38 -0.34 0.00 -0.77 0.00 0.00 57.85 54.43 3ibb n ARG 71 Cb 0.54 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.02 3.96 0.19 0.55 0.15 -1.26 -5.00 113.70 111.27 3ibb s SER 72 Ca 0.36 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.52 3ibb s SER 72 Cb 0.19 -1.65 0.11 0.00 -1.71 0.00 0.00 66.02 62.97 3ibb s SER 72 CO 0.24 0.02 1.54 0.71 1.20 0.00 0.00 173.24 176.95 3ibb h THR 73 N 5.70 1.29 -3.45 6.45 1.35 -1.97 -3.29 112.91 118.99 3ibb h THR 73 Ca -0.39 -1.58 -0.54 0.00 -0.55 0.00 0.00 66.41 63.34 3ibb h THR 73 Cb 1.17 1.50 0.10 0.00 -1.73 0.00 0.00 68.15 69.18 3ibb h THR 73 CO 0.60 0.51 0.80 0.59 -0.25 0.00 0.00 175.52 177.77 3ibb n ASN 74 N -4.03 3.68 -3.10 5.36 4.13 -1.26 -3.34 115.26 116.69 3ibb n ASN 74 Ca -0.02 1.18 -0.22 0.00 1.68 0.00 0.00 54.58 57.20 3ibb n ASN 74 Cb 0.53 -1.58 0.02 0.00 -1.54 0.00 0.00 39.78 37.21 3ibb n ASN 74 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3ibb n PHE 75 N 1.41 -1.84 -1.11 3.10 3.72 -1.26 -2.47 117.46 119.01 3ibb n PHE 75 Ca 0.06 0.46 -0.04 0.00 -0.05 0.00 0.00 57.45 57.88 3ibb n PHE 75 Cb 0.37 -3.77 -0.02 0.00 -0.94 0.00 0.00 39.48 35.12 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 -1.33 0.64 0.31 1.37 0.00 -1.21 -4.81 105.19 100.15 3ibb n GLY 76 Ca -0.08 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3ibb n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ibb h LEU 77 N 0.00 0.27 -1.08 0.99 7.12 -1.63 0.19 115.31 121.17 3ibb h LEU 77 Ca -0.08 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.93 3ibb h LEU 77 Cb 0.46 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 3ibb h LEU 77 CO 0.12 0.18 0.00 -0.90 -0.13 0.00 0.00 178.44 177.71 3ibb n ASP 78 N -4.49 0.59 -0.24 1.25 3.85 -1.24 -1.95 116.55 114.32 3ibb n ASP 78 Ca 0.03 0.71 0.05 0.00 -0.71 0.00 0.00 54.79 54.87 3ibb n ASP 78 Cb 0.17 -0.81 0.29 0.00 -1.35 0.00 0.00 41.12 39.42 3ibb n ASP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ibb h ALA 79 N 2.11 1.59 -3.44 2.12 0.00 -1.32 -3.39 119.26 116.95 3ibb h ALA 79 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 3ibb h ALA 79 Cb 0.15 -0.24 -0.33 0.00 0.00 0.00 0.00 17.79 17.37 3ibb h ALA 79 CO 0.00 0.30 -0.83 -0.80 0.00 0.00 0.00 179.25 177.92 3ibb s ASN 80 N -6.15 2.03 -0.50 0.00 0.01 -0.82 -5.06 114.94 104.45 3ibb s ASN 80 Ca -0.11 -0.35 0.07 0.00 -0.71 0.00 0.00 52.86 51.77 3ibb s ASN 80 Cb 0.19 -0.91 0.25 0.00 0.41 0.00 0.00 41.25 41.19 3ibb s ASN 80 CO 0.78 0.06 0.61 0.54 -1.51 0.00 0.00 177.10 177.59 3ibb n ARG 81 N 3.71 1.46 -2.12 -0.60 1.74 -1.26 -4.96 116.66 114.63 3ibb n ARG 81 Ca -0.22 -3.83 -0.40 0.00 -0.77 0.00 0.00 57.85 52.63 3ibb n ARG 81 Cb 0.52 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.69 4.23 0.24 5.56 0.04 -1.26 -4.60 135.00 137.52 3ibb s PRO 82 Ca 0.37 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 3ibb s PRO 82 Cb 0.16 -2.95 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 3ibb s PRO 82 CO -0.07 -0.28 1.52 0.71 0.04 0.00 0.00 177.00 178.92 3ibb s TYR 83 N -1.20 2.96 0.00 0.56 1.51 -1.26 -2.13 117.35 117.79 3ibb s TYR 83 Ca 0.52 0.84 0.00 0.00 -1.01 0.00 0.00 57.07 57.41 3ibb s TYR 83 Cb -0.38 -3.92 0.00 0.00 -0.11 0.00 0.00 41.96 37.54 3ibb s TYR 83 CO 0.50 -3.16 0.00 0.41 -1.11 0.00 0.00 175.55 172.20 3ibb n GLY 84 N 2.65 1.49 2.44 0.71 0.00 0.02 -4.55 105.19 107.95 3ibb n GLY 84 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3ibb n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ibb n ASP 85 N 0.00 -5.31 0.00 1.61 8.00 -0.91 -2.78 116.55 117.16 3ibb n ASP 85 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3ibb n ASP 85 Cb 0.00 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 3ibb n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibb n GLY 86 N -0.87 0.79 3.11 0.44 0.00 -1.26 -4.36 105.19 103.05 3ibb n GLY 86 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.03 0.83 -0.28 1.61 0.11 -1.12 -0.80 120.40 117.73 3ibb s VAL 87 Ca 0.00 -1.15 -0.08 0.00 -2.93 0.00 0.00 61.98 57.82 3ibb s VAL 87 Cb 0.00 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 3ibb s VAL 87 CO 0.00 -0.27 0.10 -0.69 -3.33 0.00 0.00 175.10 170.91 3ibb s VAL 88 N -1.26 4.26 -0.10 2.04 1.01 0.07 -4.80 120.40 121.63 3ibb s VAL 88 Ca -0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ibb s VAL 88 Cb -0.10 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3ibb s VAL 88 CO 0.01 0.17 -0.12 0.42 0.00 0.00 0.00 175.10 175.58 3ibb s THR 89 N 1.57 1.25 0.29 3.92 -4.23 -1.26 0.40 115.64 117.59 3ibb s THR 89 Ca 0.04 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 3ibb s THR 89 Cb -0.16 -1.17 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 3ibb s THR 89 CO 0.04 0.39 0.42 -0.83 -0.54 0.00 0.00 174.62 174.10 3ibb s GLY 90 N 1.07 1.20 0.02 3.99 0.00 -0.35 -1.38 107.32 111.88 3ibb s GLY 90 Ca -0.06 -1.35 0.08 0.00 0.00 0.00 0.00 44.72 43.39 3ibb s GLY 90 CO -0.02 -0.95 -0.24 -2.52 0.00 0.00 0.00 173.10 169.37 3ibb s TYR 91 N -3.51 2.38 0.25 1.90 -0.85 -0.24 -0.45 117.35 116.82 3ibb s TYR 91 Ca 0.29 -0.38 -0.11 0.00 -0.52 0.00 0.00 57.07 56.34 3ibb s TYR 91 Cb 0.01 -1.45 -0.01 0.00 0.38 0.00 0.00 41.96 40.89 3ibb s TYR 91 CO 0.16 0.09 0.44 0.20 -1.52 0.00 0.00 175.55 174.92 3ibb s GLY 92 N -1.03 0.65 -0.18 5.49 0.00 -0.76 -0.79 107.32 110.69 3ibb s GLY 92 Ca 0.12 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 3ibb s GLY 92 CO 0.01 -0.71 -0.12 -0.51 0.00 0.00 0.00 173.10 171.77 3ibb s THR 93 N -4.00 2.83 -0.37 0.90 -4.23 -1.26 -0.37 115.64 109.15 3ibb s THR 93 Ca 0.24 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 3ibb s THR 93 Cb 0.00 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.61 3ibb s THR 93 CO 0.10 0.49 0.47 -0.69 -0.54 0.00 0.00 174.62 174.45 3ibb s VAL 94 N 1.08 5.05 -1.39 2.29 1.01 -0.48 0.37 120.40 128.32 3ibb s VAL 94 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 3ibb s VAL 94 Cb -0.15 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3ibb s VAL 94 CO -0.03 -0.25 0.76 0.47 0.00 0.00 0.00 175.10 176.05 3ibb n ASP 95 N 5.67 -5.95 0.00 3.32 10.43 -1.26 -1.16 116.55 127.60 3ibb n ASP 95 Ca -0.06 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 56.95 3ibb n ASP 95 Cb 0.49 -4.70 0.00 0.00 1.84 0.00 0.00 41.12 38.74 3ibb n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ibb n GLY 96 N -1.63 0.51 3.20 0.44 0.00 -1.26 -5.04 105.19 101.40 3ibb n GLY 96 Ca -0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3ibb n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibb s ARG 97 N -0.11 1.86 0.26 1.61 0.52 -0.30 -5.06 118.95 117.71 3ibb s ARG 97 Ca 0.00 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 3ibb s ARG 97 Cb 0.00 -1.70 -0.11 0.00 0.52 0.00 0.00 34.95 33.67 3ibb s ARG 97 CO 0.00 0.38 1.53 -1.25 0.02 0.00 0.00 175.30 175.98 3ibb s PRO 98 N -0.28 4.19 0.08 3.54 0.04 -1.26 -1.39 135.00 139.92 3ibb s PRO 98 Ca 0.03 2.44 0.04 0.00 0.04 0.00 0.00 61.00 63.54 3ibb s PRO 98 Cb -0.10 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3ibb s PRO 98 CO 0.01 -0.54 -0.10 0.08 0.04 0.00 0.00 177.00 176.48 3ibb s VAL 99 N 0.17 0.89 -0.17 -0.36 1.01 0.51 -4.20 120.40 118.25 3ibb s VAL 99 Ca 0.63 -1.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3ibb s VAL 99 Cb -0.45 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3ibb s VAL 99 CO 0.43 -0.49 -0.10 0.00 0.00 0.00 0.00 175.10 174.94 3ibb s ALA 100 N -2.14 2.68 0.01 5.51 0.00 0.29 -1.83 121.76 126.28 3ibb s ALA 100 Ca 0.02 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.04 3ibb s ALA 100 Cb -0.05 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 3ibb s ALA 100 CO 0.00 -0.06 -0.25 0.54 0.00 0.00 0.00 175.76 175.99 3ibb s VAL 101 N 0.85 1.99 -0.02 0.00 0.11 0.40 -2.24 120.40 121.50 3ibb s VAL 101 Ca -0.03 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 57.87 3ibb s VAL 101 Cb -0.15 -1.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 3ibb s VAL 101 CO 0.00 0.45 -0.16 0.72 -3.33 0.00 0.00 175.10 172.78 3ibb s PHE 102 N -0.69 1.45 -0.15 1.54 -0.71 -0.75 -1.21 117.98 117.47 3ibb s PHE 102 Ca 0.10 -0.32 0.01 0.00 -1.04 0.00 0.00 56.93 55.68 3ibb s PHE 102 Cb -0.10 -0.95 -0.00 0.00 -1.21 0.00 0.00 43.02 40.76 3ibb s PHE 102 CO 0.00 -0.06 -0.17 0.45 -1.34 0.00 0.00 175.22 174.10 3ibb s SER 103 N -0.23 3.54 0.37 1.98 0.15 0.16 -0.49 113.70 119.19 3ibb s SER 103 Ca 0.03 -0.49 -0.28 0.00 0.70 0.00 0.00 55.95 55.91 3ibb s SER 103 Cb -0.08 -1.53 -0.10 0.00 -1.71 0.00 0.00 66.02 62.60 3ibb s SER 103 CO 0.00 0.09 1.36 -1.10 1.20 0.00 0.00 173.24 174.80 3ibb s GLN 104 N 0.77 4.14 -0.25 5.44 -0.21 -1.23 -0.76 119.66 127.57 3ibb s GLN 104 Ca -0.07 2.32 -0.10 0.00 0.02 0.00 0.00 55.36 57.53 3ibb s GLN 104 Cb -0.16 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 3ibb s GLN 104 CO 0.00 -0.41 0.15 0.34 -2.12 0.00 0.00 175.29 173.26 3ibb s ASP 105 N -0.46 5.85 0.28 5.90 2.15 0.02 -4.53 116.67 125.89 3ibb s ASP 105 Ca 0.53 -0.00 -0.03 0.00 0.43 0.00 0.00 52.55 53.48 3ibb s ASP 105 Cb -0.41 -2.07 0.40 0.00 -0.30 0.00 0.00 42.92 40.54 3ibb s ASP 105 CO 0.55 0.01 1.92 0.15 -0.17 0.00 0.00 175.17 177.62 3ibb h PHE 106 N 7.93 1.02 -0.65 -5.34 3.57 -1.86 -3.14 116.94 118.48 3ibb h PHE 106 Ca -0.37 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.06 3ibb h PHE 106 Cb 1.18 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 3ibb h PHE 106 CO 0.70 0.70 0.17 1.79 -2.23 0.00 0.00 178.31 179.44 3ibb h THR 107 N 1.06 1.25 -3.49 4.41 1.35 -1.92 -1.88 112.91 113.69 3ibb h THR 107 Ca 0.27 -0.90 -0.61 0.00 -0.55 0.00 0.00 66.41 64.62 3ibb h THR 107 Cb 0.00 0.57 -0.12 0.00 -1.73 0.00 0.00 68.15 66.88 3ibb h THR 107 CO -0.05 0.34 0.18 -0.69 -0.25 0.00 0.00 175.52 175.06 3ibb s VAL 108 N -5.28 4.95 -1.75 6.82 1.01 -1.24 -4.04 120.40 120.87 3ibb s VAL 108 Ca -0.11 1.05 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3ibb s VAL 108 Cb 0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3ibb s VAL 108 CO 0.83 -0.05 0.00 0.49 0.00 0.00 0.00 175.10 176.37 3ibb n PHE 109 N 5.81 -0.75 -2.65 5.22 3.72 -1.26 -0.43 117.46 127.12 3ibb n PHE 109 Ca -0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3ibb n PHE 109 Cb 0.49 -3.69 0.00 0.00 -0.94 0.00 0.00 39.48 35.34 3ibb n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibb n GLY 110 N -0.93 -0.51 2.36 1.37 0.00 -1.15 -1.29 105.19 105.04 3ibb n GLY 110 Ca -0.22 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 3ibb n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 111 N -1.12 -0.37 3.73 -0.02 0.00 0.43 -1.86 105.19 105.98 3ibb n GLY 111 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.25 3.79 0.62 4.61 0.00 -0.41 -2.29 121.76 125.83 3ibb s ALA 112 Ca 0.00 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.28 3ibb s ALA 112 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3ibb s ALA 112 CO 0.00 -0.86 1.06 -1.17 0.00 0.00 0.00 175.76 174.79 3ibb s LEU 113 N 0.58 3.41 0.24 0.00 1.98 -1.08 -4.70 118.68 119.12 3ibb s LEU 113 Ca 0.68 1.77 -0.17 0.00 -2.89 0.00 0.00 54.13 53.52 3ibb s LEU 113 Cb -0.46 -4.52 0.02 0.00 0.66 0.00 0.00 46.19 41.88 3ibb s LEU 113 CO 0.37 -1.23 0.59 -0.83 -1.89 0.00 0.00 176.35 173.36 3ibb s GLY 114 N -3.02 0.09 0.11 7.98 0.00 -1.26 -1.93 107.32 109.29 3ibb s GLY 114 Ca 0.62 -0.44 -0.23 0.00 0.00 0.00 0.00 44.72 44.67 3ibb s GLY 114 CO 0.41 -0.30 1.71 -2.09 0.00 0.00 0.00 173.10 172.83 3ibb h GLU 115 N 2.14 -0.08 -0.29 2.90 4.81 -1.90 0.20 114.58 122.36 3ibb h GLU 115 Ca -0.24 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 3ibb h GLU 115 Cb 1.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3ibb h GLU 115 CO 0.31 -0.05 -0.24 -0.39 -0.73 0.00 0.00 179.01 177.91 3ibb h VAL 116 N -0.08 1.30 -0.61 0.32 -1.51 -1.95 -2.65 116.25 111.07 3ibb h VAL 116 Ca 0.04 -1.39 -0.04 0.00 -1.23 0.00 0.00 66.70 64.07 3ibb h VAL 116 Cb 0.13 1.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 3ibb h VAL 116 CO -0.09 0.45 0.21 0.22 -1.23 0.00 0.00 177.57 177.13 3ibb h TYR 117 N 0.43 0.95 -0.63 5.19 5.03 -1.45 0.59 116.97 127.09 3ibb h TYR 117 Ca 0.05 -0.09 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 3ibb h TYR 117 Cb 0.80 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 3ibb h TYR 117 CO 0.07 0.78 0.04 0.78 -1.32 0.00 0.00 178.16 178.51 3ibb h GLY 118 N 0.86 1.16 1.13 1.82 0.00 -0.80 -3.16 103.07 104.09 3ibb h GLY 118 Ca 0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3ibb h GLY 118 CO -0.01 0.76 0.45 -1.61 0.00 0.00 0.00 176.54 176.12 3ibb h GLN 119 N 1.00 1.13 -0.44 4.80 4.15 -0.87 -1.57 115.11 123.31 3ibb h GLN 119 Ca 0.18 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3ibb h GLN 119 Cb 0.51 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 3ibb h GLN 119 CO 0.02 0.83 0.15 -0.22 -1.93 0.00 0.00 178.83 177.68 3ibb h LYS 120 N 1.14 0.68 -0.91 1.69 3.64 0.07 -2.39 116.57 120.49 3ibb h LYS 120 Ca 0.29 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3ibb h LYS 120 Cb 0.03 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 3ibb h LYS 120 CO -0.05 0.65 0.60 0.82 -2.27 0.00 0.00 179.45 179.21 3ibb h ILE 121 N 0.57 1.23 -0.57 2.00 2.04 -1.45 -2.26 117.51 119.07 3ibb h ILE 121 Ca 0.14 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3ibb h ILE 121 Cb 0.25 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 3ibb h ILE 121 CO -0.01 0.23 0.32 0.58 0.00 0.00 0.00 178.15 179.27 3ibb h VAL 122 N 1.24 1.17 -0.43 1.67 2.07 -0.93 0.34 116.25 121.38 3ibb h VAL 122 Ca 0.33 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3ibb h VAL 122 Cb -0.14 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3ibb h VAL 122 CO -0.07 0.19 0.20 0.50 0.02 0.00 0.00 177.57 178.41 3ibb h LYS 123 N 0.79 0.63 -0.50 1.57 3.64 -0.92 1.28 116.57 123.07 3ibb h LYS 123 Ca 0.20 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3ibb h LYS 123 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3ibb h LYS 123 CO -0.04 0.55 0.06 -0.39 -2.27 0.00 0.00 179.45 177.36 3ibb h VAL 124 N 0.56 1.25 -0.77 2.00 -1.51 -1.23 -1.78 116.25 114.77 3ibb h VAL 124 Ca 0.15 -0.97 -0.04 0.00 -1.23 0.00 0.00 66.70 64.61 3ibb h VAL 124 Cb 0.13 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 30.17 3ibb h VAL 124 CO -0.02 0.34 0.32 0.24 -1.23 0.00 0.00 177.57 177.22 3ibb h MET 125 N 0.71 1.14 -0.01 5.19 2.86 0.26 0.35 114.93 125.44 3ibb h MET 125 Ca 0.15 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ibb h MET 125 Cb 0.42 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3ibb h MET 125 CO 0.01 0.92 0.00 -0.44 1.06 0.00 0.00 176.91 178.47 3ibb h ASP 126 N 1.11 0.01 -0.64 1.22 3.32 0.15 -3.02 116.42 118.58 3ibb h ASP 126 Ca 0.26 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3ibb h ASP 126 Cb 0.20 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3ibb h ASP 126 CO -0.02 0.20 0.23 0.15 -1.72 0.00 0.00 179.24 178.08 3ibb h PHE 127 N -0.18 1.02 -0.30 4.55 3.57 -1.10 -0.33 116.94 124.18 3ibb h PHE 127 Ca 0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3ibb h PHE 127 Cb 0.20 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3ibb h PHE 127 CO -0.01 0.81 0.13 0.00 -2.23 0.00 0.00 178.31 177.01 3ibb h ALA 128 N 1.27 0.38 -0.60 2.41 0.00 -1.02 -0.25 119.26 121.46 3ibb h ALA 128 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ibb h ALA 128 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3ibb h ALA 128 CO -0.01 -0.04 0.20 1.25 0.00 0.00 0.00 179.25 180.64 3ibb h LEU 129 N 0.34 0.86 -0.46 0.00 5.85 -1.36 -2.07 115.31 118.46 3ibb h LEU 129 Ca 0.10 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3ibb h LEU 129 Cb 0.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3ibb h LEU 129 CO -0.01 0.83 0.16 0.50 -0.34 0.00 0.00 178.44 179.58 3ibb h LYS 130 N 0.84 0.71 -0.64 1.25 3.64 -0.27 -2.59 116.57 119.52 3ibb h LYS 130 Ca 0.19 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ibb h LYS 130 Cb 0.27 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ibb h LYS 130 CO -0.01 0.66 0.00 0.25 -2.27 0.00 0.00 179.45 178.08 3ibb n THR 131 N -4.56 2.18 -3.37 1.00 -2.24 -0.18 -5.01 114.28 102.11 3ibb n THR 131 Ca 0.01 -1.27 -0.17 0.00 -2.27 0.00 0.00 64.05 60.34 3ibb n THR 131 Cb 0.17 -0.02 0.08 0.00 -2.10 0.00 0.00 70.33 68.47 3ibb n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibb n GLY 132 N 0.99 -0.33 3.32 3.38 0.00 -0.84 -5.04 105.19 106.68 3ibb n GLY 132 Ca 0.27 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.84 3.47 -0.18 0.00 0.02 -1.17 -4.57 135.00 128.73 3ibb s PRO 134 Ca 0.06 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3ibb s PRO 134 Cb 0.02 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.49 3ibb s PRO 134 CO -0.09 -0.75 -0.18 0.08 -0.33 0.00 0.00 177.00 175.73 3ibb s VAL 135 N -1.78 2.30 -0.22 3.83 1.01 -1.02 -0.55 120.40 123.97 3ibb s VAL 135 Ca 0.71 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3ibb s VAL 135 Cb -0.23 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3ibb s VAL 135 CO 0.27 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 175.18 3ibb s VAL 136 N 1.24 3.64 -0.24 2.92 1.01 -0.95 -1.56 120.40 126.46 3ibb s VAL 136 Ca 0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3ibb s VAL 136 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3ibb s VAL 136 CO -0.10 0.41 0.09 -0.83 0.00 0.00 0.00 175.10 174.68 3ibb s GLY 137 N 1.35 1.82 0.41 4.51 0.00 -0.86 -1.81 107.32 112.75 3ibb s GLY 137 Ca 0.04 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.46 3ibb s GLY 137 CO -0.01 0.45 1.32 -0.42 0.00 0.00 0.00 173.10 174.44 3ibb s ILE 138 N 1.38 2.56 -0.13 0.90 1.09 0.36 -0.94 121.20 126.42 3ibb s ILE 138 Ca 0.06 0.51 0.02 0.00 -1.10 0.00 0.00 60.65 60.13 3ibb s ILE 138 Cb -0.15 -3.30 0.01 0.00 -1.06 0.00 0.00 42.46 37.97 3ibb s ILE 138 CO 0.04 0.08 -0.19 0.20 -0.10 0.00 0.00 174.94 174.97 3ibb s ASN 139 N -0.71 2.83 0.00 3.58 -0.87 0.33 -3.47 114.94 116.63 3ibb s ASN 139 Ca 0.57 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 3ibb s ASN 139 Cb -0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 41.25 39.55 3ibb s ASN 139 CO 0.50 0.04 0.00 -0.67 -2.57 0.00 0.00 177.10 174.40 3ibb n ASP 140 N 4.21 0.47 -4.82 -1.22 -0.08 -1.26 -0.71 116.55 113.13 3ibb n ASP 140 Ca -0.19 -0.30 -0.31 0.00 -1.51 0.00 0.00 54.79 52.47 3ibb n ASP 140 Cb 0.51 0.70 0.05 0.00 2.34 0.00 0.00 41.12 44.72 3ibb n ASP 140 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3ibb s SER 141 N -0.80 5.41 -0.06 1.67 0.15 -0.94 -3.36 113.70 115.76 3ibb s SER 141 Ca 0.00 1.62 0.20 0.00 0.70 0.00 0.00 55.95 58.47 3ibb s SER 141 Cb 0.00 -2.50 0.68 0.00 -1.71 0.00 0.00 66.02 62.49 3ibb s SER 141 CO 0.00 -1.43 1.58 0.61 1.20 0.00 0.00 173.24 175.20 3ibb n GLY 142 N -1.99 2.68 0.00 9.45 0.00 -0.78 -3.31 105.19 111.25 3ibb n GLY 142 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3ibb n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibb n GLY 143 N 1.29 -0.58 3.77 -0.02 0.00 -1.26 -4.75 105.19 103.64 3ibb n GLY 143 Ca 0.25 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3ibb n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibb s ALA 144 N -1.02 3.31 -0.70 4.61 0.00 -1.26 -2.62 121.76 124.08 3ibb s ALA 144 Ca 0.00 1.30 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 3ibb s ALA 144 Cb 0.00 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.69 3ibb s ALA 144 CO 0.00 -0.88 0.99 0.50 0.00 0.00 0.00 175.76 176.37 3ibb s ARG 145 N -2.21 3.18 0.52 0.00 3.52 -0.81 -4.77 118.95 118.38 3ibb s ARG 145 Ca 0.56 -0.98 0.17 0.00 -0.13 0.00 0.00 55.73 55.36 3ibb s ARG 145 Cb -0.40 -4.34 1.30 0.00 -1.56 0.00 0.00 34.95 29.95 3ibb s ARG 145 CO 0.52 -1.81 2.13 0.82 -0.81 0.00 0.00 175.30 176.15 3ibb h ILE 146 N 5.97 0.96 -1.00 4.11 5.03 -1.89 0.13 117.51 130.82 3ibb h ILE 146 Ca -0.22 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.60 3ibb h ILE 146 Cb 1.06 0.97 -0.07 0.00 -3.03 0.00 0.00 36.82 35.75 3ibb h ILE 146 CO 1.17 0.00 0.64 1.56 -0.68 0.00 0.00 178.15 180.85 3ibb h GLN 147 N 0.00 1.09 -0.09 2.37 7.50 -1.92 5.49 115.11 129.55 3ibb h GLN 147 Ca 0.03 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.07 3ibb h GLN 147 Cb 0.12 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 3ibb h GLN 147 CO -0.00 0.72 -0.13 0.93 -1.50 0.00 0.00 178.83 178.85 3ibb h GLU 148 N 1.12 0.14 0.00 1.46 5.08 -1.07 -3.45 114.58 117.85 3ibb h GLU 148 Ca 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3ibb h GLU 148 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ibb h GLU 148 CO -0.20 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 3ibb n GLY 149 N -1.00 1.70 0.33 -3.84 0.00 1.79 -3.97 105.19 100.20 3ibb n GLY 149 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 3ibb n GLY 149 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ibb h VAL 150 N 0.00 1.22 -0.99 1.61 -1.51 -1.92 -2.56 116.25 112.10 3ibb h VAL 150 Ca 0.00 -0.62 0.21 0.00 -1.23 0.00 0.00 66.70 65.06 3ibb h VAL 150 Cb 0.00 0.33 -0.10 0.00 -2.13 0.00 0.00 31.29 29.39 3ibb h VAL 150 CO 0.00 0.26 0.62 0.00 -1.23 0.00 0.00 177.57 177.22 3ibb h ALA 151 N 1.39 1.88 -0.65 5.19 0.00 -1.96 3.30 119.26 128.41 3ibb h ALA 151 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ibb h ALA 151 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ibb h ALA 151 CO -0.03 -0.25 0.40 0.66 0.00 0.00 0.00 179.25 180.03 3ibb h SER 152 N 0.62 0.76 -0.33 0.00 4.64 -1.70 -1.78 113.55 115.76 3ibb h SER 152 Ca 0.56 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.74 3ibb h SER 152 Cb 1.07 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 3ibb h SER 152 CO -0.33 0.58 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.03 3ibb h LEU 153 N 0.87 0.75 -1.37 5.97 3.38 0.59 -2.85 115.31 122.66 3ibb h LEU 153 Ca 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ibb h LEU 153 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ibb h LEU 153 CO -0.05 0.89 0.16 1.23 0.09 0.00 0.00 178.44 180.76 3ibb h GLY 154 N 0.97 0.63 0.97 0.83 0.00 -0.25 -2.06 103.07 104.16 3ibb h GLY 154 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3ibb h GLY 154 CO 0.04 0.29 0.24 0.00 0.00 0.00 0.00 176.54 177.10 3ibb h ALA 155 N 1.59 0.63 -0.73 3.60 0.00 -1.12 -1.44 119.26 121.79 3ibb h ALA 155 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ibb h ALA 155 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 155 CO -0.01 0.19 0.34 1.88 0.00 0.00 0.00 179.25 181.64 3ibb h TYR 156 N 0.64 1.05 -0.62 0.00 0.05 -1.33 -2.07 116.97 114.69 3ibb h TYR 156 Ca 0.17 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 3ibb h TYR 156 Cb 0.11 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 3ibb h TYR 156 CO -0.01 0.77 0.13 0.78 -1.05 0.00 0.00 178.16 178.78 3ibb h GLY 157 N 1.09 1.06 0.97 3.88 0.00 -0.80 -1.69 103.07 107.58 3ibb h GLY 157 Ca 0.25 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.94 3ibb h GLY 157 CO -0.03 0.61 0.42 -2.09 0.00 0.00 0.00 176.54 175.45 3ibb h GLU 158 N 0.94 0.83 -0.62 4.80 4.57 -1.05 -2.05 114.58 121.99 3ibb h GLU 158 Ca 0.20 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 3ibb h GLU 158 Cb 0.36 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3ibb h GLU 158 CO 0.00 0.55 0.14 0.82 -1.18 0.00 0.00 179.01 179.35 3ibb h ILE 159 N 0.85 1.25 -0.71 2.32 2.04 -0.81 -0.44 117.51 122.01 3ibb h ILE 159 Ca 0.24 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3ibb h ILE 159 Cb -0.07 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3ibb h ILE 159 CO -0.07 0.34 0.31 -0.26 0.00 0.00 0.00 178.15 178.47 3ibb h PHE 160 N 0.93 1.04 0.58 1.37 0.04 -1.06 -1.52 116.94 118.32 3ibb h PHE 160 Ca 0.20 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3ibb h PHE 160 Cb 0.34 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3ibb h PHE 160 CO 0.02 0.78 -0.50 -0.09 -0.60 0.00 0.00 178.31 177.92 3ibb h ARG 161 N 1.02 -1.03 -0.29 1.51 1.12 -0.38 -0.24 114.38 116.09 3ibb h ARG 161 Ca 0.24 0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 59.14 3ibb h ARG 161 Cb 0.16 0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 3ibb h ARG 161 CO -0.03 -0.68 -0.01 0.00 -3.11 0.00 0.00 179.97 176.14 3ibb h ARG 162 N -1.07 0.44 -0.24 0.20 -0.00 -1.26 -1.41 114.38 111.04 3ibb h ARG 162 Ca -0.07 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.32 3ibb h ARG 162 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.79 3ibb h ARG 162 CO -0.02 0.48 0.16 -0.91 0.00 0.00 0.00 179.97 179.68 3ibb h ASN 163 N 0.43 0.28 -0.50 7.04 -0.26 -0.78 -2.06 115.58 119.73 3ibb h ASN 163 Ca 0.09 -0.02 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 3ibb h ASN 163 Cb 0.30 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 3ibb h ASN 163 CO 0.01 0.22 -0.04 0.74 -1.06 0.00 0.00 177.43 177.29 3ibb h THR 164 N 0.32 1.26 -0.16 2.81 2.02 -0.39 -2.37 112.91 116.41 3ibb h THR 164 Ca 0.09 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 3ibb h THR 164 Cb -0.02 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3ibb h THR 164 CO -0.02 0.41 0.04 0.45 0.37 0.00 0.00 175.52 176.77 3ibb h HIS 165 N 0.87 0.26 -0.58 3.16 3.86 -1.12 -3.16 115.15 118.44 3ibb h HIS 165 Ca 0.15 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3ibb h HIS 165 Cb 0.57 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 3ibb h HIS 165 CO 0.04 0.38 0.17 0.00 0.86 0.00 0.00 177.93 179.38 3ibb h ALA 166 N 0.85 1.21 -2.23 2.45 0.00 -1.46 -3.45 119.26 116.63 3ibb h ALA 166 Ca 0.05 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.17 3ibb h ALA 166 Cb 0.25 -0.23 0.06 0.00 0.00 0.00 0.00 17.79 17.87 3ibb h ALA 166 CO 0.00 0.55 0.71 0.45 0.00 0.00 0.00 179.25 180.96 3ibb n SER 167 N -4.28 2.85 0.00 0.00 2.88 -0.89 0.16 113.62 114.33 3ibb n SER 167 Ca 0.04 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 3ibb n SER 167 Cb 0.21 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 3ibb n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ibb n GLY 168 N 2.99 0.68 0.00 0.46 0.00 -1.26 -4.92 105.19 103.14 3ibb n GLY 168 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -4.13 1.61 0.31 0.41 -4.80 118.33 109.73 3ibb n VAL 169 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 3ibb n VAL 169 Cb 0.00 -0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 32.08 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 -1.88 0.56 0.09 2.52 -4.36 -1.23 -2.26 121.20 114.63 3ibb s ILE 170 Ca 0.00 -0.75 -0.31 0.00 -0.26 0.00 0.00 60.65 59.33 3ibb s ILE 170 Cb 0.00 -0.56 -0.08 0.00 1.25 0.00 0.00 42.46 43.07 3ibb s ILE 170 CO 0.00 -0.15 1.54 -2.84 0.24 0.00 0.00 174.94 173.72 3ibb s PRO 171 N -0.99 4.24 -0.28 0.37 0.02 -1.26 -4.69 135.00 132.42 3ibb s PRO 171 Ca -0.04 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 3ibb s PRO 171 Cb -0.07 -3.40 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 3ibb s PRO 171 CO 0.00 -0.61 0.10 -0.65 -0.33 0.00 0.00 177.00 175.51 3ibb s GLN 172 N 1.89 3.46 -0.13 5.54 -0.21 -1.26 -2.45 119.66 126.50 3ibb s GLN 172 Ca 0.69 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 55.48 3ibb s GLN 172 Cb -0.39 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.21 3ibb s GLN 172 CO 0.31 -0.30 -0.20 0.42 -2.12 0.00 0.00 175.29 173.39 3ibb s ILE 173 N 1.59 2.30 -0.18 1.08 1.01 -0.60 -1.41 121.20 124.99 3ibb s ILE 173 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3ibb s ILE 173 Cb -0.16 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3ibb s ILE 173 CO 0.04 0.54 -0.18 -0.44 0.00 0.00 0.00 174.94 174.91 3ibb s SER 174 N 0.57 3.34 -0.22 3.58 0.01 0.66 -2.02 113.70 119.62 3ibb s SER 174 Ca -0.12 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.50 3ibb s SER 174 Cb -0.17 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 3ibb s SER 174 CO 0.04 0.01 0.01 -0.22 0.41 0.00 0.00 173.24 173.49 3ibb s LEU 175 N 1.22 3.21 -0.29 2.44 2.96 -0.12 -0.69 118.68 127.42 3ibb s LEU 175 Ca 0.03 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.59 3ibb s LEU 175 Cb -0.14 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3ibb s LEU 175 CO -0.09 0.01 0.14 -0.69 -1.32 0.00 0.00 176.35 174.39 3ibb s VAL 176 N 1.34 4.70 -1.08 1.68 1.01 0.16 -0.51 120.40 127.70 3ibb s VAL 176 Ca 0.04 -0.20 0.11 0.00 0.00 0.00 0.00 61.98 61.93 3ibb s VAL 176 Cb -0.15 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3ibb s VAL 176 CO 0.01 0.19 0.70 1.33 0.00 0.00 0.00 175.10 177.33 3ibb n VAL 177 N 4.99 0.00 -3.87 2.92 0.24 0.11 -3.62 118.33 119.10 3ibb n VAL 177 Ca -0.15 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 3ibb n VAL 177 Cb 0.50 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 34.00 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 -1.38 0.06 0.49 7.63 0.00 -1.07 -3.80 107.32 109.25 3ibb s GLY 178 Ca 0.10 -0.45 -0.22 0.00 0.00 0.00 0.00 44.72 44.15 3ibb s GLY 178 CO 0.26 -0.19 0.91 -1.05 0.00 0.00 0.00 173.10 173.03 3ibb n PRO 179 N -0.46 1.09 -4.12 2.90 -0.02 -1.21 -4.20 135.00 128.98 3ibb n PRO 179 Ca -0.04 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 3ibb n PRO 179 Cb 0.59 -2.00 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.54 -0.02 0.00 0.00 0.00 -1.26 -2.16 121.76 117.77 3ibb s ALA 181 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3ibb s ALA 181 Cb -0.05 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3ibb s ALA 181 CO -0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3ibb n GLY 182 N 0.79 0.31 0.30 0.00 0.00 -1.13 -2.99 105.19 102.47 3ibb n GLY 182 Ca -0.19 -0.86 0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 1.82 -0.02 0.00 -1.92 -1.88 103.07 101.07 3ibb h GLY 183 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3ibb h GLY 183 CO 0.00 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.61 3ibb h ALA 184 N 2.00 1.50 -0.59 3.60 0.00 -1.93 3.57 119.26 127.41 3ibb h ALA 184 Ca -0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3ibb h ALA 184 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ibb h ALA 184 CO 0.00 -0.10 0.40 -0.39 0.00 0.00 0.00 179.25 179.16 3ibb h VAL 185 N 0.00 0.97 -0.56 0.00 -1.51 -1.50 0.12 116.25 113.77 3ibb h VAL 185 Ca 0.02 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 3ibb h VAL 185 Cb 0.17 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 29.70 3ibb h VAL 185 CO -0.00 0.10 0.30 1.88 -1.23 0.00 0.00 177.57 178.62 3ibb h TYR 186 N 0.53 0.75 -0.41 5.19 0.05 0.65 -2.78 116.97 120.96 3ibb h TYR 186 Ca 0.26 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 3ibb h TYR 186 Cb 0.35 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3ibb h TYR 186 CO -0.00 0.53 0.18 1.03 -1.05 0.00 0.00 178.16 178.86 3ibb h SER 187 N 0.78 0.55 -0.13 3.88 0.87 -0.87 0.84 113.55 119.48 3ibb h SER 187 Ca 0.20 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3ibb h SER 187 Cb 0.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3ibb h SER 187 CO -0.03 0.54 -0.03 -0.65 -0.53 0.00 0.00 176.83 176.13 3ibb h PRO 188 N 0.52 0.38 -0.83 2.24 0.11 -1.64 -3.17 132.00 129.61 3ibb h PRO 188 Ca 0.14 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3ibb h PRO 188 Cb 0.15 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 3ibb h PRO 188 CO -0.01 0.44 0.45 0.00 -0.21 0.00 0.00 178.00 178.66 3ibb h ALA 189 N 1.60 1.06 -0.48 -0.75 0.00 -0.67 0.23 119.26 120.26 3ibb h ALA 189 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ibb h ALA 189 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ibb h ALA 189 CO 0.01 0.58 0.06 0.82 0.00 0.00 0.00 179.25 180.72 3ibb h ILE 190 N 1.16 1.22 -4.04 0.00 1.08 -1.31 -3.46 117.51 112.16 3ibb h ILE 190 Ca 0.29 -0.86 -0.53 0.00 -0.39 0.00 0.00 64.86 63.37 3ibb h ILE 190 Cb 0.04 0.79 0.11 0.00 -3.07 0.00 0.00 36.82 34.69 3ibb h ILE 190 CO -0.05 0.31 0.53 0.42 -0.69 0.00 0.00 178.15 178.68 3ibb s THR 191 N -5.09 2.55 0.13 -0.27 -4.23 0.07 -4.96 115.64 103.83 3ibb s THR 191 Ca -0.09 0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 3ibb s THR 191 Cb 0.15 -3.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3ibb s THR 191 CO 0.79 -0.02 1.64 0.44 -0.54 0.00 0.00 174.62 176.94 3ibb h ASP 192 N 1.51 0.57 -3.87 3.99 5.19 -1.48 -3.43 116.42 118.90 3ibb h ASP 192 Ca -0.50 -0.21 -0.53 0.00 -0.62 0.00 0.00 57.03 55.17 3ibb h ASP 192 Cb 1.28 -0.15 -0.31 0.00 0.18 0.00 0.00 39.33 40.33 3ibb h ASP 192 CO 0.58 0.63 -0.82 -0.36 -3.12 0.00 0.00 179.24 176.14 3ibb s PHE 193 N -5.39 1.51 -0.09 4.55 0.08 -1.03 -5.04 117.98 112.57 3ibb s PHE 193 Ca -0.13 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.52 3ibb s PHE 193 Cb 0.10 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 3ibb s PHE 193 CO 0.76 -0.15 -0.18 0.99 -0.10 0.00 0.00 175.22 176.54 3ibb s THR 194 N 0.08 2.62 -0.02 0.64 2.01 -1.26 -0.25 115.64 119.47 3ibb s THR 194 Ca -0.04 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.19 3ibb s THR 194 Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 3ibb s THR 194 CO 0.02 0.55 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.59 3ibb s VAL 195 N 0.02 1.73 0.08 3.82 1.01 0.13 0.14 120.40 127.34 3ibb s VAL 195 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3ibb s VAL 195 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3ibb s VAL 195 CO 0.05 0.49 -0.07 -0.04 0.00 0.00 0.00 175.10 175.53 3ibb s MET 196 N -0.45 0.75 -0.14 2.72 -1.94 -1.07 0.35 119.30 119.51 3ibb s MET 196 Ca 0.07 -1.17 -0.01 0.00 -1.71 0.00 0.00 55.69 52.87 3ibb s MET 196 Cb -0.09 -0.26 -0.01 0.00 2.01 0.00 0.00 34.83 36.48 3ibb s MET 196 CO -0.00 0.01 -0.12 0.08 -0.01 0.00 0.00 175.02 174.98 3ibb s VAL 197 N -2.92 3.08 0.30 -6.03 1.01 -1.24 -1.24 120.40 113.36 3ibb s VAL 197 Ca 0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3ibb s VAL 197 Cb 0.00 -2.31 -0.11 0.00 0.00 0.00 0.00 36.38 33.96 3ibb s VAL 197 CO -0.03 0.51 1.54 -0.62 0.00 0.00 0.00 175.10 176.50 3ibb s ASP 198 N 0.54 6.44 -1.78 3.32 2.15 -0.89 -1.94 116.67 124.51 3ibb s ASP 198 Ca -0.08 2.90 0.00 0.00 0.43 0.00 0.00 52.55 55.80 3ibb s ASP 198 Cb -0.16 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 3ibb s ASP 198 CO 0.04 -0.85 0.00 0.00 -0.17 0.00 0.00 175.17 174.18 3ibb n GLN 199 N 1.91 -1.60 0.00 4.34 1.13 -1.26 -4.61 117.38 117.29 3ibb n GLN 199 Ca 0.07 1.00 0.00 0.00 -1.94 0.00 0.00 57.00 56.12 3ibb n GLN 199 Cb 0.38 -5.48 0.00 0.00 0.11 0.00 0.00 30.24 25.25 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 -2.95 0.00 -2.19 5.09 -1.04 -0.88 -5.10 114.28 107.22 3ibb n THR 200 Ca -0.20 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.48 3ibb n THR 200 Cb 0.63 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3ibb n THR 200 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ibb s SER 201 N -4.95 5.85 0.13 8.00 1.04 -0.82 -4.41 113.70 118.54 3ibb s SER 201 Ca 0.00 1.93 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 3ibb s SER 201 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.60 3ibb s SER 201 CO 0.00 -1.12 0.41 -1.00 0.98 0.00 0.00 173.24 172.50 3ibb s HIS 202 N -2.19 -0.20 0.06 5.02 0.09 -1.26 -4.27 115.29 112.53 3ibb s HIS 202 Ca 0.67 -0.11 0.03 0.00 -0.00 0.00 0.00 55.06 55.64 3ibb s HIS 202 Cb -0.18 0.26 -0.03 0.00 -0.00 0.00 0.00 32.58 32.64 3ibb s HIS 202 CO 0.31 -0.71 -0.10 -1.64 -0.00 0.00 0.00 174.74 172.60 3ibb s MET 203 N -3.81 0.64 -0.24 1.40 -1.94 -1.24 -2.68 119.30 111.42 3ibb s MET 203 Ca 0.03 -0.85 -0.27 0.00 -1.71 0.00 0.00 55.69 52.88 3ibb s MET 203 Cb 0.02 -0.45 0.15 0.00 2.01 0.00 0.00 34.83 36.55 3ibb s MET 203 CO -0.12 0.09 1.14 -0.59 -0.01 0.00 0.00 175.02 175.53 3ibb s PHE 204 N -1.48 -0.30 0.04 -0.03 -0.12 -0.92 -3.82 117.98 111.36 3ibb s PHE 204 Ca -0.06 0.63 -0.20 0.00 -0.05 0.00 0.00 56.93 57.25 3ibb s PHE 204 Cb -0.09 0.43 -0.14 0.00 -0.63 0.00 0.00 43.02 42.59 3ibb s PHE 204 CO 0.01 -0.20 1.35 0.97 -0.05 0.00 0.00 175.22 177.30 3ibb h ILE 205 N 2.93 1.34 -3.83 -4.49 6.09 -1.89 -2.99 117.51 114.67 3ibb h ILE 205 Ca -0.22 -1.30 -0.26 0.00 -1.37 0.00 0.00 64.86 61.71 3ibb h ILE 205 Cb 1.18 1.84 -0.17 0.00 0.47 0.00 0.00 36.82 40.14 3ibb h ILE 205 CO 0.21 0.38 -0.72 -0.89 -3.07 0.00 0.00 178.15 174.06 3ibb s THR 206 N -4.33 0.71 0.63 2.19 2.01 -1.26 -3.78 115.64 111.81 3ibb s THR 206 Ca -0.14 -1.63 -0.14 0.00 0.31 0.00 0.00 61.69 60.09 3ibb s THR 206 Cb 0.05 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 3ibb s THR 206 CO 0.76 -0.66 1.06 -0.83 -0.69 0.00 0.00 174.62 174.26 3ibb s GLY 207 N -2.50 2.01 0.61 4.40 0.00 -1.26 -4.88 107.32 105.70 3ibb s GLY 207 Ca 0.04 0.33 0.36 0.00 0.00 0.00 0.00 44.72 45.45 3ibb s GLY 207 CO -0.02 0.65 2.24 -2.55 0.00 0.00 0.00 173.10 173.41 3ibb h PRO 208 N 0.11 0.00 -0.03 2.90 0.11 -1.98 -2.14 132.00 130.96 3ibb h PRO 208 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3ibb h PRO 208 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ibb h PRO 208 CO 0.57 0.03 -0.30 0.38 -0.21 0.00 0.00 178.00 178.46 3ibb h ASP 209 N 0.00 0.33 -0.51 -2.05 3.04 -1.91 -3.08 116.42 112.24 3ibb h ASP 209 Ca -0.00 -0.70 -0.11 0.00 -3.24 0.00 0.00 57.03 52.98 3ibb h ASP 209 Cb 0.13 -0.10 -0.02 0.00 -1.04 0.00 0.00 39.33 38.31 3ibb h ASP 209 CO 0.00 0.98 -0.12 0.58 -2.04 0.00 0.00 179.24 178.64 3ibb h VAL 210 N -0.30 1.27 -0.76 4.15 2.07 -1.83 -3.19 116.25 117.66 3ibb h VAL 210 Ca -0.03 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3ibb h VAL 210 Cb 0.99 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3ibb h VAL 210 CO 0.06 0.44 0.50 0.16 0.02 0.00 0.00 177.57 178.76 3ibb h ILE 211 N 0.84 1.19 -0.13 4.57 3.07 -1.52 -1.60 117.51 123.94 3ibb h ILE 211 Ca 0.13 -0.35 -0.00 0.00 1.55 0.00 0.00 64.86 66.19 3ibb h ILE 211 Cb 0.68 0.08 -0.01 0.00 -0.27 0.00 0.00 36.82 37.30 3ibb h ILE 211 CO 0.05 0.19 0.07 0.50 -1.05 0.00 0.00 178.15 177.90 3ibb h LYS 212 N 1.02 0.18 -0.01 0.16 3.11 -1.52 0.43 116.57 119.94 3ibb h LYS 212 Ca 0.28 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.09 3ibb h LYS 212 Cb -0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.09 3ibb h LYS 212 CO -0.06 0.21 -0.01 1.15 -2.81 0.00 0.00 179.45 177.93 3ibb h THR 213 N 0.10 1.35 -0.53 1.00 2.02 -1.54 0.47 112.91 115.78 3ibb h THR 213 Ca 0.04 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 3ibb h THR 213 Cb 0.08 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3ibb h THR 213 CO -0.01 0.27 0.18 0.58 0.37 0.00 0.00 175.52 176.92 3ibb h VAL 214 N -0.41 1.23 0.00 3.16 2.07 -1.28 -3.38 116.25 117.64 3ibb h VAL 214 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3ibb h VAL 214 Cb 0.45 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ibb h VAL 214 CO 0.00 0.28 -0.84 0.35 0.02 0.00 0.00 177.57 177.38 3ibb n THR 215 N -4.49 0.00 0.00 2.57 -2.24 0.15 -5.04 114.28 105.22 3ibb n THR 215 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3ibb n THR 215 Cb 0.18 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3ibb n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibb n GLY 216 N 1.60 1.97 3.72 3.38 0.00 0.16 -4.99 105.19 111.03 3ibb n GLY 216 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3ibb n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ibb n GLU 217 N 0.00 2.77 -2.04 1.61 0.28 -1.26 -4.25 120.64 117.75 3ibb n GLU 217 Ca 0.00 1.00 -0.33 0.00 -0.16 0.00 0.00 57.16 57.67 3ibb n GLU 217 Cb 0.00 -2.84 0.02 0.00 1.43 0.00 0.00 31.44 30.04 3ibb n GLU 217 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3ibb s ASP 218 N 1.15 5.60 0.06 -1.84 3.84 -1.26 -3.82 116.67 120.40 3ibb s ASP 218 Ca 0.75 1.96 -0.03 0.00 -0.00 0.00 0.00 52.55 55.23 3ibb s ASP 218 Cb -0.51 -2.55 -0.03 0.00 -1.38 0.00 0.00 42.92 38.45 3ibb s ASP 218 CO 0.33 -1.30 0.02 -0.69 -0.00 0.00 0.00 175.17 173.53 3ibb s VAL 219 N -2.24 0.20 -0.09 2.11 1.01 -1.26 -5.04 120.40 115.09 3ibb s VAL 219 Ca 0.67 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3ibb s VAL 219 Cb -0.19 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3ibb s VAL 219 CO 0.35 -0.92 -0.14 -0.83 0.00 0.00 0.00 175.10 173.55 3ibb s GLY 220 N -2.91 1.52 0.31 4.51 0.00 -1.26 -4.81 107.32 104.68 3ibb s GLY 220 Ca 0.07 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.92 3ibb s GLY 220 CO -0.10 -0.48 1.62 0.74 0.00 0.00 0.00 173.10 174.88 3ibb h PHE 221 N 6.04 0.44 -0.39 1.90 0.04 -1.98 1.00 116.94 123.99 3ibb h PHE 221 Ca -0.35 0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.49 3ibb h PHE 221 Cb 1.18 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.26 3ibb h PHE 221 CO 0.50 -0.29 0.21 1.49 -0.60 0.00 0.00 178.31 179.61 3ibb h GLU 222 N 0.16 0.41 -0.17 1.51 4.57 -1.95 -1.53 114.58 117.58 3ibb h GLU 222 Ca 0.64 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.75 3ibb h GLU 222 Cb 1.41 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3ibb h GLU 222 CO -0.72 0.27 -0.06 1.49 -1.18 0.00 0.00 179.01 178.81 3ibb h GLU 223 N 0.42 0.34 0.32 1.92 4.81 0.32 -2.60 114.58 120.12 3ibb h GLU 223 Ca 0.16 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3ibb h GLU 223 Cb 0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ibb h GLU 223 CO -0.10 0.63 -0.16 1.25 -0.73 0.00 0.00 179.01 179.90 3ibb h LEU 224 N 0.04 -0.37 -7.43 1.64 5.85 -0.04 -3.44 115.31 111.57 3ibb h LEU 224 Ca 0.04 -0.17 -0.46 0.00 0.84 0.00 0.00 57.88 58.14 3ibb h LEU 224 Cb 0.51 0.10 -0.39 0.00 0.37 0.00 0.00 40.66 41.25 3ibb h LEU 224 CO 0.02 0.00 -0.77 -0.83 -0.34 0.00 0.00 178.44 176.53 3ibb s GLY 225 N -2.73 0.53 0.14 3.75 0.00 -0.58 -4.97 107.32 103.46 3ibb s GLY 225 Ca -0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.27 3ibb s GLY 225 CO 0.53 1.21 0.18 -0.32 0.00 0.00 0.00 173.10 174.70 3ibb s GLY 226 N 1.95 0.65 0.14 0.20 0.00 -0.98 -3.73 107.32 105.55 3ibb s GLY 226 Ca 0.04 -1.10 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 3ibb s GLY 226 CO -0.06 -1.05 1.80 0.00 0.00 0.00 0.00 173.10 173.78 3ibb h ALA 227 N 2.70 0.45 -0.43 3.20 0.00 -1.80 0.36 119.26 123.73 3ibb h ALA 227 Ca -0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3ibb h ALA 227 Cb 1.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ibb h ALA 227 CO 0.54 -0.08 0.12 -0.09 0.00 0.00 0.00 179.25 179.73 3ibb h ARG 228 N 0.47 0.69 -0.46 0.00 2.43 -1.96 -2.72 114.38 112.82 3ibb h ARG 228 Ca 0.13 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3ibb h ARG 228 Cb -0.04 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3ibb h ARG 228 CO -0.03 0.68 0.17 1.15 -1.51 0.00 0.00 179.97 180.44 3ibb h THR 229 N 0.56 1.21 -0.48 0.20 2.02 -1.29 0.17 112.91 115.32 3ibb h THR 229 Ca 0.14 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.66 3ibb h THR 229 Cb 0.30 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3ibb h THR 229 CO -0.00 0.25 0.31 0.45 0.37 0.00 0.00 175.52 176.90 3ibb h HIS 230 N 0.60 0.59 -0.12 3.16 3.86 -0.48 -2.30 115.15 120.48 3ibb h HIS 230 Ca 0.15 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3ibb h HIS 230 Cb 0.21 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 3ibb h HIS 230 CO 0.01 0.37 0.03 -0.91 0.86 0.00 0.00 177.93 178.28 3ibb h ASN 231 N 0.64 0.18 0.00 2.45 4.21 -0.97 -2.52 115.58 119.57 3ibb h ASN 231 Ca 0.18 -0.23 -0.13 0.00 1.21 0.00 0.00 56.30 57.33 3ibb h ASN 231 Cb -0.07 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 3ibb h ASN 231 CO -0.04 0.36 -1.23 -1.54 -1.29 0.00 0.00 177.43 173.69 3ibb n SER 232 N -4.86 1.53 -0.04 5.81 3.41 -0.04 -3.79 113.62 115.64 3ibb n SER 232 Ca -0.06 0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 3ibb n SER 232 Cb 0.16 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.45 3ibb n SER 232 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3ibb h THR 233 N -0.67 1.31 -0.33 6.66 1.35 -1.72 -3.39 112.91 116.11 3ibb h THR 233 Ca -0.19 -1.03 -0.13 0.00 -0.55 0.00 0.00 66.41 64.51 3ibb h THR 233 Cb 0.98 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 3ibb h THR 233 CO -0.12 0.29 -0.29 0.77 -0.25 0.00 0.00 175.52 175.93 3ibb h SER 234 N -0.12 0.82 0.00 5.36 4.64 -1.55 -3.49 113.55 119.21 3ibb h SER 234 Ca 0.03 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3ibb h SER 234 Cb 0.48 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3ibb h SER 234 CO 0.01 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 3ibb n GLY 235 N 0.11 1.23 0.21 -0.77 0.00 -1.16 -5.01 105.19 99.80 3ibb n GLY 235 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.29 -3.88 1.61 2.07 -1.74 -3.46 116.25 112.13 3ibb h VAL 236 Ca 0.00 -1.27 -0.61 0.00 0.82 0.00 0.00 66.70 65.64 3ibb h VAL 236 Cb 0.00 1.41 -0.31 0.00 -1.52 0.00 0.00 31.29 30.86 3ibb h VAL 236 CO 0.00 0.41 -0.85 0.00 0.02 0.00 0.00 177.57 177.15 3ibb s ALA 237 N -4.62 1.75 0.14 1.67 0.00 -1.24 -4.81 121.76 114.65 3ibb s ALA 237 Ca -0.13 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 3ibb s ALA 237 Cb 0.09 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3ibb s ALA 237 CO 0.81 0.32 1.64 0.45 0.00 0.00 0.00 175.76 178.98 3ibb h HIS 238 N 6.25 0.76 -3.63 0.00 3.86 -0.63 -3.40 115.15 118.35 3ibb h HIS 238 Ca -0.31 -0.09 -0.37 0.00 -1.16 0.00 0.00 60.37 58.44 3ibb h HIS 238 Cb 1.18 -0.21 -0.18 0.00 1.06 0.00 0.00 27.41 29.26 3ibb h HIS 238 CO 0.44 0.70 -0.74 -1.58 0.86 0.00 0.00 177.93 177.60 3ibb s HIS 239 N -5.30 1.24 -0.08 2.45 5.65 -1.12 -0.61 115.29 117.52 3ibb s HIS 239 Ca -0.13 -0.61 0.05 0.00 0.25 0.00 0.00 55.06 54.62 3ibb s HIS 239 Cb 0.11 -0.66 -0.00 0.00 -1.18 0.00 0.00 32.58 30.84 3ibb s HIS 239 CO 0.78 0.08 -0.24 1.41 -0.65 0.00 0.00 174.74 176.12 3ibb s MET 240 N -2.76 2.74 0.04 2.88 1.75 -1.26 -2.60 119.30 120.08 3ibb s MET 240 Ca 0.08 -0.87 0.06 0.00 -1.25 0.00 0.00 55.69 53.71 3ibb s MET 240 Cb -0.04 -2.18 -0.02 0.00 2.84 0.00 0.00 34.83 35.43 3ibb s MET 240 CO 0.02 0.27 -0.17 0.00 -0.65 0.00 0.00 175.02 174.49 3ibb s ALA 241 N 0.11 1.40 0.12 4.11 0.00 -0.37 -4.96 121.76 122.17 3ibb s ALA 241 Ca -0.11 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 3ibb s ALA 241 Cb -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3ibb s ALA 241 CO 0.06 0.29 1.66 0.78 0.00 0.00 0.00 175.76 178.55 3ibb h GLY 242 N 4.97 0.55 -2.89 0.00 0.00 -1.92 -2.36 103.07 101.43 3ibb h GLY 242 Ca -0.39 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 3ibb h GLY 242 CO 0.44 0.29 -0.18 0.51 0.00 0.00 0.00 176.54 177.61 3ibb s ASP 243 N -5.81 -0.09 0.40 0.19 3.84 -1.26 -4.48 116.67 109.46 3ibb s ASP 243 Ca -0.13 -0.58 0.09 0.00 -0.00 0.00 0.00 52.55 51.93 3ibb s ASP 243 Cb 0.09 0.46 0.87 0.00 -1.38 0.00 0.00 42.92 42.97 3ibb s ASP 243 CO 0.74 -0.89 2.00 -0.33 -0.00 0.00 0.00 175.17 176.69 3ibb h GLU 244 N 2.45 0.56 -0.84 2.11 5.08 -1.94 1.46 114.58 123.46 3ibb h GLU 244 Ca -0.32 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3ibb h GLU 244 Cb 1.24 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 3ibb h GLU 244 CO 0.47 0.37 0.56 -0.22 -1.00 0.00 0.00 179.01 179.19 3ibb h LYS 245 N 0.58 1.10 -0.49 2.33 3.64 -1.98 2.98 116.57 124.73 3ibb h LYS 245 Ca 0.25 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3ibb h LYS 245 Cb 0.25 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3ibb h LYS 245 CO -0.07 0.73 0.10 -0.44 -2.27 0.00 0.00 179.45 177.49 3ibb h ASP 246 N 1.13 0.76 -0.44 4.20 3.32 0.16 -2.58 116.42 122.97 3ibb h ASP 246 Ca 0.31 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ibb h ASP 246 Cb -0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3ibb h ASP 246 CO -0.07 0.82 0.28 0.00 -1.72 0.00 0.00 179.24 178.55 3ibb h ALA 247 N 0.97 0.56 -0.33 3.45 0.00 0.27 -2.14 119.26 122.04 3ibb h ALA 247 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ibb h ALA 247 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ibb h ALA 247 CO 0.01 0.02 -0.01 0.28 0.00 0.00 0.00 179.25 179.55 3ibb h VAL 248 N 0.59 1.26 -0.66 0.00 2.07 0.47 -2.78 116.25 117.20 3ibb h VAL 248 Ca 0.16 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3ibb h VAL 248 Cb -0.05 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3ibb h VAL 248 CO -0.03 0.32 0.34 -0.08 0.02 0.00 0.00 177.57 178.13 3ibb h GLU 249 N 0.39 0.92 -0.76 1.57 4.57 -1.36 -2.48 114.58 117.43 3ibb h GLU 249 Ca 0.09 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3ibb h GLU 249 Cb 0.46 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3ibb h GLU 249 CO 0.02 0.69 0.33 -0.92 -1.18 0.00 0.00 179.01 177.94 3ibb h TYR 250 N 0.92 1.12 -0.62 0.92 3.20 -1.15 0.45 116.97 121.81 3ibb h TYR 250 Ca 0.23 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3ibb h TYR 250 Cb 0.06 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 3ibb h TYR 250 CO 0.01 0.84 0.24 0.28 -1.64 0.00 0.00 178.16 177.89 3ibb h VAL 251 N 1.09 1.23 -0.38 1.81 2.07 -1.19 0.59 116.25 121.48 3ibb h VAL 251 Ca 0.26 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ibb h VAL 251 Cb 0.17 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ibb h VAL 251 CO -0.03 0.29 0.17 0.11 0.02 0.00 0.00 177.57 178.13 3ibb h LYS 252 N 0.86 0.55 -0.61 1.57 1.57 -0.99 0.28 116.57 119.81 3ibb h LYS 252 Ca 0.20 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3ibb h LYS 252 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3ibb h LYS 252 CO -0.02 0.50 0.14 1.96 -0.57 0.00 0.00 179.45 181.46 3ibb h GLN 253 N 0.47 0.95 -0.29 3.15 1.08 0.04 -2.19 115.11 118.32 3ibb h GLN 253 Ca 0.13 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3ibb h GLN 253 Cb 0.14 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3ibb h GLN 253 CO -0.01 0.85 0.17 1.25 -0.95 0.00 0.00 178.83 180.14 3ibb h LEU 254 N 0.91 0.28 -1.23 1.46 5.85 0.66 -3.01 115.31 120.22 3ibb h LEU 254 Ca 0.19 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3ibb h LEU 254 Cb 0.34 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3ibb h LEU 254 CO 0.00 0.20 -0.01 0.25 -0.34 0.00 0.00 178.44 178.54 3ibb h LEU 255 N 0.35 0.48 -0.93 2.25 6.46 0.19 -3.18 115.31 120.93 3ibb h LEU 255 Ca 0.11 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3ibb h LEU 255 Cb -0.00 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.75 3ibb h LEU 255 CO -0.05 0.56 0.61 0.77 -0.62 0.00 0.00 178.44 179.70 3ibb h SER 256 N 0.49 1.04 -0.34 1.25 4.64 -1.36 0.41 113.55 119.68 3ibb h SER 256 Ca 0.11 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3ibb h SER 256 Cb 0.34 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3ibb h SER 256 CO 0.01 0.73 0.15 1.88 -0.87 0.00 0.00 176.83 178.74 3ibb h TYR 257 N 1.22 0.50 -4.21 4.77 0.05 -1.72 -3.36 116.97 114.21 3ibb h TYR 257 Ca 0.35 -0.03 -0.49 0.00 0.05 0.00 0.00 58.73 58.61 3ibb h TYR 257 Cb -0.08 -0.15 0.06 0.00 1.01 0.00 0.00 36.73 37.57 3ibb h TYR 257 CO -0.01 0.45 0.38 -0.51 -1.05 0.00 0.00 178.16 177.42 3ibb s LEU 258 N -9.86 3.46 0.58 3.88 1.43 0.14 -3.57 118.68 114.75 3ibb s LEU 258 Ca -0.13 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.58 3ibb s LEU 258 Cb 0.09 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 3ibb s LEU 258 CO 0.73 -1.14 1.03 -2.16 0.23 0.00 0.00 176.35 175.05 3ibb s PRO 259 N -4.20 3.48 0.17 1.29 0.04 -1.26 -4.16 135.00 130.36 3ibb s PRO 259 Ca 0.62 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 3ibb s PRO 259 Cb -0.15 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.39 3ibb s PRO 259 CO 0.39 -0.67 1.71 0.77 0.04 0.00 0.00 177.00 179.24 3ibb h SER 260 N 0.43 0.80 -5.15 6.66 0.02 -1.88 -3.43 113.55 111.01 3ibb h SER 260 Ca -0.46 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.23 3ibb h SER 260 Cb 1.21 -0.21 -0.14 0.00 0.14 0.00 0.00 62.40 63.40 3ibb h SER 260 CO 0.59 0.77 -0.30 0.54 -1.14 0.00 0.00 176.83 177.28 3ibb s ASN 261 N -6.10 0.04 0.49 3.07 2.20 -1.24 -3.02 114.94 110.38 3ibb s ASN 261 Ca -0.13 -0.60 0.22 0.00 -0.94 0.00 0.00 52.86 51.41 3ibb s ASN 261 Cb 0.12 0.38 1.27 0.00 -2.00 0.00 0.00 41.25 41.02 3ibb s ASN 261 CO 0.79 -0.77 2.05 -0.55 -2.94 0.00 0.00 177.10 175.68 3ibb h ASN 262 N 2.65 0.00 -0.12 3.54 -1.07 -1.76 -2.32 115.58 116.51 3ibb h ASN 262 Ca -0.34 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.99 3ibb h ASN 262 Cb 1.21 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.45 3ibb h ASN 262 CO 0.54 0.14 -0.04 -0.07 0.07 0.00 0.00 177.43 178.07 3ibb h LEU 263 N 0.00 0.34 -8.85 6.14 -0.00 -1.92 -3.42 115.31 107.61 3ibb h LEU 263 Ca -0.00 -0.06 -0.69 0.00 -0.00 0.00 0.00 57.88 57.13 3ibb h LEU 263 Cb 0.31 -0.09 -0.24 0.00 -0.00 0.00 0.00 40.66 40.64 3ibb h LEU 263 CO 0.02 0.43 -0.79 -0.94 -0.00 0.00 0.00 178.44 177.17 3ibb s SER 264 N -6.81 3.90 0.75 -0.43 1.04 -0.87 -5.12 113.70 106.15 3ibb s SER 264 Ca -0.06 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 3ibb s SER 264 Cb 0.16 -0.84 0.04 0.00 0.10 0.00 0.00 66.02 65.48 3ibb s SER 264 CO 0.74 0.33 1.09 -1.61 0.98 0.00 0.00 173.24 174.77 3ibb s GLU 265 N -0.64 2.43 0.64 4.02 2.02 -1.26 -4.55 118.70 121.36 3ibb s GLU 265 Ca 0.10 1.15 -0.17 0.00 0.02 0.00 0.00 54.97 56.06 3ibb s GLU 265 Cb -0.11 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 3ibb s GLU 265 CO 0.01 -1.51 1.22 -1.25 0.02 0.00 0.00 175.26 173.74 3ibb s PRO 266 N -4.86 2.67 -0.74 0.39 0.04 -1.26 -4.68 135.00 126.56 3ibb s PRO 266 Ca 0.61 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 63.21 3ibb s PRO 266 Cb -0.17 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.51 3ibb s PRO 266 CO 0.55 -1.45 1.31 -1.25 0.04 0.00 0.00 177.00 176.20 3ibb s PRO 267 N -3.54 3.17 -0.19 0.56 0.04 -1.23 -4.66 135.00 129.14 3ibb s PRO 267 Ca 0.77 -0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.57 3ibb s PRO 267 Cb -0.31 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.01 3ibb s PRO 267 CO 0.38 -2.18 -0.05 0.00 0.04 0.00 0.00 177.00 175.19 3ibb s ALA 268 N 5.91 2.86 -0.50 8.56 0.00 -1.26 -4.81 121.76 132.51 3ibb s ALA 268 Ca 0.37 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 3ibb s ALA 268 Cb -0.08 -1.61 0.06 0.00 0.00 0.00 0.00 23.12 21.49 3ibb s ALA 268 CO 0.15 -0.14 0.62 -0.06 0.00 0.00 0.00 175.76 176.32 3ibb s PHE 269 N 0.99 3.06 -0.56 0.00 0.08 -1.11 -4.97 117.98 115.46 3ibb s PHE 269 Ca 0.00 -0.53 -0.26 0.00 0.12 0.00 0.00 56.93 56.25 3ibb s PHE 269 Cb -0.15 -3.51 0.03 0.00 -0.57 0.00 0.00 43.02 38.83 3ibb s PHE 269 CO 0.01 -1.01 1.08 -1.25 -0.10 0.00 0.00 175.22 173.94 3ibb s PRO 270 N 2.59 3.44 -0.21 0.24 0.04 -1.18 -4.25 135.00 135.67 3ibb s PRO 270 Ca 0.15 0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.22 3ibb s PRO 270 Cb -0.19 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.34 3ibb s PRO 270 CO 0.12 -1.59 -0.14 -1.83 0.04 0.00 0.00 177.00 173.61 3ibb s GLU 271 N 4.49 2.93 0.55 4.56 -1.05 0.34 -4.97 118.70 125.56 3ibb s GLU 271 Ca 0.37 -0.89 -0.21 0.00 -0.15 0.00 0.00 54.97 54.09 3ibb s GLU 271 Cb -0.10 -2.76 -0.05 0.00 -0.44 0.00 0.00 34.13 30.78 3ibb s GLU 271 CO 0.23 -0.29 1.30 -1.91 0.95 0.00 0.00 175.26 175.54 3ibb n GLU 272 N 4.64 1.55 -4.29 -4.83 2.13 -1.26 -3.69 120.64 114.90 3ibb n GLU 272 Ca -0.19 0.57 -0.16 0.00 0.66 0.00 0.00 57.16 58.05 3ibb n GLU 272 Cb 0.49 -2.51 -0.10 0.00 0.27 0.00 0.00 31.44 29.59 3ibb n GLU 272 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ibb s ALA 273 N -1.32 1.64 -0.40 4.31 0.00 -1.26 -5.01 121.76 119.72 3ibb s ALA 273 Ca 0.73 -1.58 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 3ibb s ALA 273 Cb -0.42 0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3ibb s ALA 273 CO 0.49 -0.09 0.28 -0.51 0.00 0.00 0.00 175.76 175.93 3ibb s ASP 274 N -3.23 6.05 -1.37 0.00 -0.00 -1.26 -4.96 116.67 111.90 3ibb s ASP 274 Ca 0.20 -0.90 -0.08 0.00 -0.00 0.00 0.00 52.55 51.78 3ibb s ASP 274 Cb 0.03 -2.14 0.09 0.00 -0.00 0.00 0.00 42.92 40.90 3ibb s ASP 274 CO 0.03 -0.43 2.34 0.18 -0.00 0.00 0.00 175.17 177.29 3ibb n LEU 275 N 5.13 7.75 -4.07 1.23 4.32 -1.26 -4.88 117.00 125.22 3ibb n LEU 275 Ca -0.11 -4.70 -0.30 0.00 -0.02 0.00 0.00 56.01 50.87 3ibb n LEU 275 Cb 0.47 -1.44 -0.16 0.00 -1.62 0.00 0.00 43.42 40.67 3ibb n LEU 275 CO 0.40 1.84 -0.51 0.00 -1.22 0.00 0.00 177.39 177.90 3ibb s ALA 276 N 0.00 1.95 0.01 -1.18 0.00 -1.26 -4.93 121.76 116.36 3ibb s ALA 276 Ca 0.52 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 3ibb s ALA 276 Cb 0.16 -1.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.18 3ibb s ALA 276 CO -0.06 -0.23 1.95 0.28 0.00 0.00 0.00 175.76 177.70 3ibb n VAL 277 N 4.46 0.71 -2.10 0.00 0.31 -1.26 -4.88 118.33 115.58 3ibb n VAL 277 Ca -0.19 -0.13 -0.27 0.00 -0.01 0.00 0.00 64.34 63.75 3ibb n VAL 277 Cb 0.51 -2.21 0.08 0.00 -0.91 0.00 0.00 33.84 31.30 3ibb n VAL 277 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3ibb s THR 278 N 4.31 2.18 0.41 2.52 -1.32 -1.26 -4.98 115.64 117.50 3ibb s THR 278 Ca 0.90 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 61.28 3ibb s THR 278 Cb -0.50 -3.00 0.27 0.00 -1.51 0.00 0.00 72.50 67.77 3ibb s THR 278 CO 0.44 0.00 2.04 0.44 -2.21 0.00 0.00 174.62 175.34 3ibb h ASP 279 N -0.76 0.47 -0.31 8.08 5.19 -1.99 -0.53 116.42 126.58 3ibb h ASP 279 Ca -0.45 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 3ibb h ASP 279 Cb 1.32 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 3ibb h ASP 279 CO 0.62 0.34 0.17 -0.08 -3.12 0.00 0.00 179.24 177.16 3ibb h GLU 280 N 0.56 0.44 -0.20 3.56 4.57 -1.97 0.17 114.58 121.71 3ibb h GLU 280 Ca 0.18 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3ibb h GLU 280 Cb 0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3ibb h GLU 280 CO -0.04 0.39 -0.06 -0.44 -1.18 0.00 0.00 179.01 177.67 3ibb h ASP 281 N 0.38 0.28 -0.05 1.04 3.32 -1.43 -1.40 116.42 118.56 3ibb h ASP 281 Ca 0.11 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3ibb h ASP 281 Cb 0.08 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ibb h ASP 281 CO -0.02 0.39 0.04 0.00 -1.72 0.00 0.00 179.24 177.94 3ibb h ALA 282 N 1.65 1.97 -0.21 3.45 0.00 0.21 0.81 119.26 127.13 3ibb h ALA 282 Ca 0.06 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3ibb h ALA 282 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ibb h ALA 282 CO 0.01 -0.07 0.21 1.49 0.00 0.00 0.00 179.25 180.89 3ibb h GLU 283 N 0.00 0.00 -0.71 0.00 4.81 -0.59 0.16 114.58 118.25 3ibb h GLU 283 Ca 0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3ibb h GLU 283 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3ibb h GLU 283 CO -0.00 0.00 0.28 -0.07 -0.73 0.00 0.00 179.01 178.49 3ibb h LEU 284 N 0.00 0.96 -0.89 1.64 4.07 0.48 -3.02 115.31 118.55 3ibb h LEU 284 Ca 0.10 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.93 3ibb h LEU 284 Cb 0.51 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 3ibb h LEU 284 CO -0.00 0.85 0.58 0.44 -1.08 0.00 0.00 178.44 179.23 3ibb h ASP 285 N 1.02 1.04 0.39 -0.43 3.45 -0.83 -0.49 116.42 120.57 3ibb h ASP 285 Ca 0.24 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3ibb h ASP 285 Cb 0.20 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 3ibb h ASP 285 CO -0.02 0.76 -0.21 0.35 -1.57 0.00 0.00 179.24 178.55 3ibb n THR 286 N -4.45 0.00 -0.27 0.35 -2.24 -1.14 -4.33 114.28 102.20 3ibb n THR 286 Ca 0.10 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3ibb n THR 286 Cb 0.02 0.09 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 3ibb n THR 286 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3ibb h ILE 287 N 0.65 1.26 -3.38 2.28 2.04 -1.09 -3.39 117.51 115.88 3ibb h ILE 287 Ca 0.00 -0.88 -0.53 0.00 1.00 0.00 0.00 64.86 64.45 3ibb h ILE 287 Cb 0.44 0.44 0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3ibb h ILE 287 CO 0.00 0.35 0.82 -0.69 0.00 0.00 0.00 178.15 178.63 3ibb s VAL 288 N -5.45 2.35 0.48 1.67 1.01 -1.26 -4.97 120.40 114.24 3ibb s VAL 288 Ca -0.12 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 3ibb s VAL 288 Cb 0.15 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 3ibb s VAL 288 CO 0.84 0.05 0.91 -2.16 0.00 0.00 0.00 175.10 174.74 3ibb s PRO 289 N -0.52 3.86 0.27 2.72 0.04 -1.26 -5.00 135.00 135.11 3ibb s PRO 289 Ca 0.61 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 3ibb s PRO 289 Cb -0.45 -2.22 0.36 0.00 0.04 0.00 0.00 34.50 32.23 3ibb s PRO 289 CO 0.46 -0.21 1.82 -0.44 0.04 0.00 0.00 177.00 178.67 3ibb h ASP 290 N 0.94 0.83 -4.14 6.66 3.32 -1.94 -3.43 116.42 118.66 3ibb h ASP 290 Ca -0.47 -0.14 -0.53 0.00 0.02 0.00 0.00 57.03 55.91 3ibb h ASP 290 Cb 1.19 -0.22 0.13 0.00 0.22 0.00 0.00 39.33 40.65 3ibb h ASP 290 CO 0.62 0.79 0.44 -0.55 -1.72 0.00 0.00 179.24 178.82 3ibb s SER 291 N -6.55 4.85 0.18 6.45 0.15 -1.26 -4.95 113.70 112.58 3ibb s SER 291 Ca -0.10 2.34 -0.13 0.00 0.70 0.00 0.00 55.95 58.75 3ibb s SER 291 Cb 0.16 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.95 3ibb s SER 291 CO 0.81 -1.82 1.82 0.00 1.20 0.00 0.00 173.24 175.25 3ibb h ALA 292 N 0.40 0.73 -0.07 5.45 0.00 -2.05 -3.34 119.26 120.38 3ibb h ALA 292 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ibb h ALA 292 Cb 1.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ibb h ALA 292 CO 0.53 0.19 0.00 0.09 0.00 0.00 0.00 179.25 180.07 3ibb n ASN 293 N -4.66 1.88 -4.52 0.00 3.02 -1.26 -4.91 115.26 104.81 3ibb n ASN 293 Ca 0.04 -1.52 -0.42 0.00 -0.03 0.00 0.00 54.58 52.64 3ibb n ASN 293 Cb 0.04 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3ibb n ASN 293 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3ibb s GLN 294 N -0.70 3.27 0.29 3.52 0.74 -1.26 -4.95 119.66 120.58 3ibb s GLN 294 Ca 0.10 -0.31 -0.29 0.00 0.05 0.00 0.00 55.36 54.90 3ibb s GLN 294 Cb 0.06 -4.12 -0.10 0.00 1.10 0.00 0.00 33.01 29.95 3ibb s GLN 294 CO 0.08 -1.78 1.30 -1.25 -0.55 0.00 0.00 175.29 173.10 3ibb s PRO 295 N 4.63 4.38 0.02 1.67 0.04 -1.26 -4.66 135.00 139.82 3ibb s PRO 295 Ca 0.32 2.16 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 3ibb s PRO 295 Cb -0.12 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 3ibb s PRO 295 CO 0.17 -0.18 0.07 1.52 0.04 0.00 0.00 177.00 178.61 3ibb s TYR 296 N -0.80 0.19 0.17 0.56 1.13 -1.26 -4.99 117.35 112.35 3ibb s TYR 296 Ca 0.51 -0.44 -0.30 0.00 -1.41 0.00 0.00 57.07 55.42 3ibb s TYR 296 Cb -0.39 -0.14 -0.08 0.00 -1.10 0.00 0.00 41.96 40.25 3ibb s TYR 296 CO 0.48 -0.30 1.31 0.34 -2.51 0.00 0.00 175.55 174.87 3ibb s ASP 297 N -1.81 6.91 0.23 -0.18 -1.08 -1.26 -4.45 116.67 115.04 3ibb s ASP 297 Ca -0.10 2.34 -0.03 0.00 -0.52 0.00 0.00 52.55 54.25 3ibb s ASP 297 Cb -0.05 -2.60 0.24 0.00 -1.46 0.00 0.00 42.92 39.06 3ibb s ASP 297 CO -0.02 -0.54 1.67 -0.03 0.52 0.00 0.00 175.17 176.77 3ibb h MET 298 N 5.76 0.75 -0.49 4.34 1.85 -1.96 -3.35 114.93 121.83 3ibb h MET 298 Ca -0.44 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.38 3ibb h MET 298 Cb 1.21 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.17 3ibb h MET 298 CO 0.79 0.87 0.31 0.45 -0.40 0.00 0.00 176.91 178.94 3ibb h HIS 299 N 0.67 0.63 -0.62 1.39 3.86 -1.93 -0.47 115.15 118.67 3ibb h HIS 299 Ca 0.10 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3ibb h HIS 299 Cb 0.65 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 3ibb h HIS 299 CO 0.03 0.41 0.29 1.03 0.86 0.00 0.00 177.93 180.55 3ibb h SER 300 N 0.67 0.79 -0.34 2.45 0.87 -1.98 -0.28 113.55 115.74 3ibb h SER 300 Ca 0.18 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3ibb h SER 300 Cb -0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3ibb h SER 300 CO -0.04 0.68 0.14 0.58 -0.53 0.00 0.00 176.83 177.67 3ibb h VAL 301 N 0.88 1.18 -0.35 2.23 2.07 -1.26 -3.16 116.25 117.84 3ibb h VAL 301 Ca 0.22 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3ibb h VAL 301 Cb 0.10 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3ibb h VAL 301 CO -0.03 0.20 0.09 0.40 0.02 0.00 0.00 177.57 178.25 3ibb h ILE 302 N 0.41 1.22 0.00 4.57 2.04 -0.66 -2.94 117.51 122.15 3ibb h ILE 302 Ca 0.11 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3ibb h ILE 302 Cb 0.17 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3ibb h ILE 302 CO -0.01 0.25 -0.16 -0.33 0.00 0.00 0.00 178.15 177.90 3ibb h GLU 303 N 0.41 0.00 -0.13 2.37 5.08 -1.35 -2.94 114.58 118.03 3ibb h GLU 303 Ca 0.11 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3ibb h GLU 303 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3ibb h GLU 303 CO 0.00 0.16 -0.06 0.45 -1.00 0.00 0.00 179.01 178.56 3ibb h HIS 304 N 0.00 -0.15 -0.35 4.33 3.86 -1.47 -2.48 115.15 118.89 3ibb h HIS 304 Ca -0.00 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 3ibb h HIS 304 Cb 0.33 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3ibb h HIS 304 CO 0.00 -0.10 -0.24 0.28 0.86 0.00 0.00 177.93 178.72 3ibb h VAL 305 N -0.05 1.29 -3.53 2.45 2.07 -1.62 -3.47 116.25 113.38 3ibb h VAL 305 Ca 0.07 -1.39 -0.53 0.00 0.82 0.00 0.00 66.70 65.67 3ibb h VAL 305 Cb 0.16 1.41 0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3ibb h VAL 305 CO -0.16 0.46 0.73 -0.76 0.02 0.00 0.00 177.57 177.85 3ibb s LEU 306 N -9.05 4.39 0.18 2.57 1.43 -0.93 -4.91 118.68 112.36 3ibb s LEU 306 Ca -0.12 2.69 -0.32 0.00 -1.03 0.00 0.00 54.13 55.35 3ibb s LEU 306 Cb 0.10 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.58 3ibb s LEU 306 CO 0.84 -0.67 1.65 -1.81 0.23 0.00 0.00 176.35 176.59 3ibb s ASP 307 N 0.14 6.48 0.00 2.29 1.11 0.43 -0.21 116.67 126.91 3ibb s ASP 307 Ca 0.56 2.74 0.00 0.00 0.18 0.00 0.00 52.55 56.04 3ibb s ASP 307 Cb -0.42 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 40.98 3ibb s ASP 307 CO 0.47 -0.90 0.00 0.47 1.18 0.00 0.00 175.17 176.38 3ibb n ASP 308 N 4.04 0.00 -1.37 0.27 9.92 -1.26 -3.35 116.55 124.81 3ibb n ASP 308 Ca 0.15 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.27 3ibb n ASP 308 Cb 0.37 -1.26 -0.03 0.00 -0.64 0.00 0.00 41.12 39.55 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 0.89 -0.32 -3.27 2.24 0.00 0.71 -4.86 120.51 115.90 3ibb n ALA 309 Ca 0.00 0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3ibb n ALA 309 Cb 0.00 -1.61 -0.13 0.00 0.00 0.00 0.00 19.45 17.71 3ibb n ALA 309 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ibb s GLU 310 N -4.02 3.21 -0.16 0.00 0.41 -1.21 -4.92 118.70 112.00 3ibb s GLU 310 Ca 0.00 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 3ibb s GLU 310 Cb 0.00 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3ibb s GLU 310 CO 0.00 -0.35 -0.16 0.12 -0.49 0.00 0.00 175.26 174.37 3ibb s PHE 311 N 1.50 2.78 -0.38 1.61 5.36 -1.26 -4.58 117.98 123.01 3ibb s PHE 311 Ca 0.04 -1.21 -0.10 0.00 -0.96 0.00 0.00 56.93 54.70 3ibb s PHE 311 Cb -0.16 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.65 3ibb s PHE 311 CO 0.01 -0.57 0.21 0.12 -1.46 0.00 0.00 175.22 173.52 3ibb s PHE 312 N 0.98 3.26 -0.16 10.12 5.36 -0.70 -4.90 117.98 131.94 3ibb s PHE 312 Ca -0.02 -1.13 -0.05 0.00 -0.96 0.00 0.00 56.93 54.76 3ibb s PHE 312 Cb -0.15 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 39.97 3ibb s PHE 312 CO -0.03 -0.70 0.02 -2.00 -1.46 0.00 0.00 175.22 171.04 3ibb s GLU 313 N 1.51 3.73 -0.12 10.12 2.12 -1.26 0.14 118.70 134.94 3ibb s GLU 313 Ca 0.02 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 3ibb s GLU 313 Cb -0.20 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 3ibb s GLU 313 CO 0.05 0.32 -0.09 0.95 -0.54 0.00 0.00 175.26 175.96 3ibb s THR 314 N 0.19 3.48 -1.08 -1.70 -4.23 0.12 -4.56 115.64 107.86 3ibb s THR 314 Ca 0.01 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3ibb s THR 314 Cb -0.13 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3ibb s THR 314 CO 0.02 0.53 0.91 0.00 -0.54 0.00 0.00 174.62 175.54 3ibb n GLN 315 N 3.20 -6.05 -0.26 3.99 6.02 0.22 -4.47 117.38 120.03 3ibb n GLN 315 Ca -0.18 0.74 -0.01 0.00 -0.01 0.00 0.00 57.00 57.54 3ibb n GLN 315 Cb 0.53 -5.45 0.18 0.00 1.02 0.00 0.00 30.24 26.52 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 -1.81 1.09 -0.40 -1.09 0.11 -1.80 -0.04 132.00 128.06 3ibb h PRO 316 Ca -0.51 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.49 3ibb h PRO 316 Cb 1.30 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3ibb h PRO 316 CO 0.45 0.76 0.18 -0.07 -0.21 0.00 0.00 178.00 179.11 3ibb h LEU 317 N 1.11 0.50 -9.09 2.35 4.07 -1.91 -3.41 115.31 108.93 3ibb h LEU 317 Ca 0.29 -0.04 -0.61 0.00 0.08 0.00 0.00 57.88 57.59 3ibb h LEU 317 Cb -0.04 -0.13 -0.13 0.00 1.08 0.00 0.00 40.66 41.44 3ibb h LEU 317 CO -0.05 0.44 -0.32 0.12 -1.08 0.00 0.00 178.44 177.55 3ibb s PHE 318 N -5.32 3.33 -0.76 1.13 5.36 -0.03 -4.35 117.98 117.35 3ibb s PHE 318 Ca -0.08 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 56.32 3ibb s PHE 318 Cb 0.17 -2.44 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 3ibb s PHE 318 CO 0.75 -0.01 0.65 0.00 -1.46 0.00 0.00 175.22 175.14 3ibb n ALA 319 N 4.53 -2.65 0.47 11.12 0.00 -1.26 -4.68 120.51 128.04 3ibb n ALA 319 Ca -0.11 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.30 3ibb n ALA 319 Cb 0.51 -1.23 0.25 0.00 0.00 0.00 0.00 19.45 18.98 3ibb n ALA 319 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ibb n PRO 320 N -2.07 0.17 0.26 0.00 -0.02 -1.26 -1.69 135.00 130.39 3ibb n PRO 320 Ca -0.15 0.16 0.16 0.00 -2.02 0.00 0.00 63.50 61.66 3ibb n PRO 320 Cb 0.59 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 33.17 3ibb n PRO 320 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 3ibb h ASN 321 N 0.00 0.00 -4.15 2.55 -1.07 -1.84 -3.40 115.58 107.67 3ibb h ASN 321 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.97 3ibb h ASN 321 Cb 0.07 0.00 -0.27 0.00 -2.07 0.00 0.00 38.32 36.05 3ibb h ASN 321 CO 0.00 0.00 -0.78 -0.51 0.07 0.00 0.00 177.43 176.21 3ibb s ILE 322 N -3.57 0.79 0.02 6.14 2.07 -0.68 0.51 121.20 126.47 3ibb s ILE 322 Ca 0.02 -0.56 0.08 0.00 -1.41 0.00 0.00 60.65 58.79 3ibb s ILE 322 Cb 0.08 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3ibb s ILE 322 CO 0.56 0.13 -0.25 -0.76 -1.91 0.00 0.00 174.94 172.70 3ibb s LEU 323 N -0.49 2.21 0.20 8.50 1.43 0.78 -4.87 118.68 126.44 3ibb s LEU 323 Ca 0.02 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3ibb s LEU 323 Cb -0.05 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3ibb s LEU 323 CO -0.00 0.28 0.12 0.42 0.23 0.00 0.00 176.35 177.40 3ibb s THR 324 N -0.77 0.05 -5.00 5.49 -4.23 -1.26 -1.59 115.64 108.34 3ibb s THR 324 Ca 0.12 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3ibb s THR 324 Cb -0.10 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3ibb s THR 324 CO 0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3ibb n GLY 325 N -0.27 -0.68 3.29 3.99 0.00 -1.24 -0.70 105.19 109.57 3ibb n GLY 325 Ca 0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.00 1.61 0.03 1.61 0.08 0.37 -3.57 117.98 115.12 3ibb s PHE 326 Ca 0.00 -1.55 -0.27 0.00 0.12 0.00 0.00 56.93 55.23 3ibb s PHE 326 Cb 0.00 -0.73 0.09 0.00 -0.57 0.00 0.00 43.02 41.82 3ibb s PHE 326 CO 0.00 -0.74 0.82 0.20 -0.10 0.00 0.00 175.22 175.40 3ibb s GLY 327 N -3.34 -0.50 -0.11 4.36 0.00 0.68 -1.72 107.32 106.69 3ibb s GLY 327 Ca 0.39 0.89 0.03 0.00 0.00 0.00 0.00 44.72 46.03 3ibb s GLY 327 CO 0.22 0.29 -0.22 0.50 0.00 0.00 0.00 173.10 173.90 3ibb s ARG 328 N -3.27 3.11 -0.18 2.90 0.52 -1.26 0.21 118.95 120.98 3ibb s ARG 328 Ca 0.04 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3ibb s ARG 328 Cb -0.01 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 3ibb s ARG 328 CO -0.10 0.19 -0.08 0.08 0.02 0.00 0.00 175.30 175.41 3ibb s VAL 329 N 0.34 3.21 -1.76 3.52 1.01 -0.03 -0.43 120.40 126.26 3ibb s VAL 329 Ca -0.17 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3ibb s VAL 329 Cb -0.18 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3ibb s VAL 329 CO 0.08 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 3ibb n GLU 330 N 4.26 -1.56 -2.64 2.72 -0.58 -1.26 0.09 120.64 121.68 3ibb n GLU 330 Ca -0.18 0.98 -0.06 0.00 -0.42 0.00 0.00 57.16 57.48 3ibb n GLU 330 Cb 0.52 -5.42 0.02 0.00 -0.57 0.00 0.00 31.44 25.98 3ibb n GLU 330 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ibb n GLY 331 N -0.53 0.44 3.10 0.62 0.00 -1.24 -0.50 105.19 107.07 3ibb n GLY 331 Ca -0.19 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 3ibb n GLY 331 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ibb s ARG 332 N -5.10 0.64 0.49 1.61 3.00 0.11 -2.74 118.95 116.95 3ibb s ARG 332 Ca 0.12 -0.82 -0.22 0.00 0.00 0.00 0.00 55.73 54.81 3ibb s ARG 332 Cb -0.05 -0.49 -0.07 0.00 0.00 0.00 0.00 34.95 34.33 3ibb s ARG 332 CO 0.15 0.10 1.19 -2.14 0.00 0.00 0.00 175.30 174.61 3ibb s PRO 333 N -1.61 3.59 0.07 3.54 0.02 -1.26 -0.85 135.00 138.50 3ibb s PRO 333 Ca -0.07 1.84 -0.06 0.00 0.02 0.00 0.00 61.00 62.72 3ibb s PRO 333 Cb -0.10 -2.33 -0.01 0.00 0.02 0.00 0.00 34.50 32.08 3ibb s PRO 333 CO 0.01 -0.71 0.12 0.14 -0.33 0.00 0.00 177.00 176.24 3ibb s VAL 334 N -1.53 0.16 -0.14 3.83 -7.23 0.57 -4.41 120.40 111.65 3ibb s VAL 334 Ca 0.66 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3ibb s VAL 334 Cb -0.30 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 3ibb s VAL 334 CO 0.36 -0.71 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.55 3ibb s GLY 335 N -2.68 1.67 -0.13 2.32 0.00 0.59 -0.23 107.32 108.85 3ibb s GLY 335 Ca 0.03 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3ibb s GLY 335 CO -0.09 -0.14 -0.16 -0.42 0.00 0.00 0.00 173.10 172.29 3ibb s ILE 336 N 0.28 2.72 -0.07 0.90 1.01 -1.23 0.30 121.20 125.12 3ibb s ILE 336 Ca -0.05 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.87 3ibb s ILE 336 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3ibb s ILE 336 CO 0.04 0.53 -0.19 -0.69 0.00 0.00 0.00 174.94 174.63 3ibb s VAL 337 N 0.46 1.62 0.04 2.92 1.01 -0.56 -3.98 120.40 121.91 3ibb s VAL 337 Ca -0.12 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3ibb s VAL 337 Cb -0.16 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3ibb s VAL 337 CO 0.05 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 3ibb s ALA 338 N 0.24 0.47 0.45 5.51 0.00 -0.62 -1.14 121.76 126.68 3ibb s ALA 338 Ca -0.11 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 3ibb s ALA 338 Cb -0.15 0.13 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 3ibb s ALA 338 CO 0.05 -0.15 1.11 -0.80 0.00 0.00 0.00 175.76 175.96 3ibb s ASN 339 N -1.96 6.36 -0.18 0.00 -0.87 -1.13 -0.16 114.94 117.01 3ibb s ASN 339 Ca -0.06 2.16 -0.05 0.00 -1.57 0.00 0.00 52.86 53.34 3ibb s ASN 339 Cb -0.05 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.56 3ibb s ASN 339 CO -0.02 -0.77 0.00 -1.58 -2.57 0.00 0.00 177.10 172.15 3ibb s GLN 340 N -2.73 3.70 0.38 -0.60 2.00 1.91 -4.72 119.66 119.60 3ibb s GLN 340 Ca 0.63 -0.49 0.07 0.00 -2.00 0.00 0.00 55.36 53.56 3ibb s GLN 340 Cb -0.25 -3.06 0.75 0.00 0.80 0.00 0.00 33.01 31.26 3ibb s GLN 340 CO 0.30 0.13 1.96 -1.35 -0.50 0.00 0.00 175.29 175.83 3ibb h PRO 341 N 7.11 0.47 -0.69 1.67 0.11 -1.81 -1.89 132.00 136.97 3ibb h PRO 341 Ca -0.34 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 65.75 3ibb h PRO 341 Cb 1.18 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3ibb h PRO 341 CO 0.63 0.43 0.46 0.52 -0.21 0.00 0.00 178.00 179.83 3ibb h MET 342 N 0.47 0.75 -5.07 1.05 2.86 -1.91 -2.97 114.93 110.10 3ibb h MET 342 Ca 0.11 -0.04 -0.65 0.00 -2.06 0.00 0.00 59.70 57.06 3ibb h MET 342 Cb 0.17 -0.17 -0.26 0.00 0.06 0.00 0.00 31.60 31.40 3ibb h MET 342 CO -0.01 0.49 -0.70 -0.65 1.06 0.00 0.00 176.91 177.11 3ibb s GLN 343 N -5.68 3.48 -1.54 1.72 -1.52 -1.23 -4.61 119.66 110.27 3ibb s GLN 343 Ca -0.10 -0.59 -0.03 0.00 -1.95 0.00 0.00 55.36 52.70 3ibb s GLN 343 Cb 0.19 -3.01 0.01 0.00 -0.22 0.00 0.00 33.01 29.98 3ibb s GLN 343 CO 0.77 -0.08 0.27 1.19 -0.25 0.00 0.00 175.29 177.19 3ibb n PHE 344 N 4.47 -1.50 -2.99 0.91 3.01 -1.26 -0.75 117.46 119.36 3ibb n PHE 344 Ca -0.18 0.24 -0.20 0.00 1.01 0.00 0.00 57.45 58.32 3ibb n PHE 344 Cb 0.51 -3.89 0.01 0.00 -0.01 0.00 0.00 39.48 36.11 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 -2.76 -0.94 -1.06 4.37 0.00 -1.12 -1.96 120.51 117.03 3ibb n ALA 345 Ca -0.16 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3ibb n ALA 345 Cb 0.64 -2.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.18 0.47 3.88 0.00 0.00 0.08 -4.33 105.19 104.10 3ibb n GLY 346 Ca -0.09 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -5.20 4.19 0.30 0.00 1.43 -1.26 -4.81 118.68 113.33 3ibb s LEU 348 Ca 0.56 2.14 -0.19 0.00 -1.03 0.00 0.00 54.13 55.60 3ibb s LEU 348 Cb -0.11 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 42.07 3ibb s LEU 348 CO 0.52 -0.51 0.81 1.51 0.23 0.00 0.00 176.35 178.91 3ibb s ASP 349 N -1.38 -0.11 0.40 2.29 -4.77 -1.26 0.27 116.67 112.10 3ibb s ASP 349 Ca 0.56 -0.81 0.06 0.00 -3.30 0.00 0.00 52.55 49.06 3ibb s ASP 349 Cb -0.25 0.73 0.81 0.00 -1.09 0.00 0.00 42.92 43.11 3ibb s ASP 349 CO 0.32 -1.40 2.04 0.16 0.70 0.00 0.00 175.17 176.99 3ibb h ILE 350 N 2.00 1.12 -0.81 2.11 3.07 -1.95 -0.15 117.51 122.90 3ibb h ILE 350 Ca -0.26 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3ibb h ILE 350 Cb 1.24 0.49 -0.04 0.00 -0.27 0.00 0.00 36.82 38.24 3ibb h ILE 350 CO 0.32 0.12 0.52 0.71 -1.05 0.00 0.00 178.15 178.77 3ibb h THR 351 N 0.60 1.21 -0.34 0.16 1.35 -1.98 0.57 112.91 114.48 3ibb h THR 351 Ca 0.16 -0.41 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 3ibb h THR 351 Cb -0.04 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 3ibb h THR 351 CO -0.03 0.21 -0.15 0.00 -0.25 0.00 0.00 175.52 175.29 3ibb h ALA 352 N 1.29 0.47 -0.23 6.62 0.00 -1.32 -2.28 119.26 123.81 3ibb h ALA 352 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ibb h ALA 352 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ibb h ALA 352 CO -0.06 0.38 0.15 1.03 0.00 0.00 0.00 179.25 180.75 3ibb h SER 353 N 0.47 0.27 -0.43 0.00 0.87 -0.67 -0.30 113.55 113.76 3ibb h SER 353 Ca 0.08 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3ibb h SER 353 Cb 0.68 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3ibb h SER 353 CO 0.05 0.20 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.20 3ibb h GLU 354 N 0.31 0.78 -0.42 2.24 5.08 -0.01 -2.93 114.58 119.63 3ibb h GLU 354 Ca 0.08 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3ibb h GLU 354 Cb -0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3ibb h GLU 354 CO -0.02 0.86 0.16 -0.22 -1.00 0.00 0.00 179.01 178.79 3ibb h LYS 355 N 0.62 0.63 -0.44 2.33 3.11 -0.85 -3.11 116.57 118.86 3ibb h LYS 355 Ca 0.12 -0.12 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 3ibb h LYS 355 Cb 0.52 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 3ibb h LYS 355 CO 0.03 0.60 -0.01 0.00 -2.81 0.00 0.00 179.45 177.26 3ibb h ALA 356 N 1.00 0.60 -0.68 5.00 0.00 -1.18 -3.32 119.26 120.69 3ibb h ALA 356 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3ibb h ALA 356 Cb 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ibb h ALA 356 CO -0.01 0.40 0.26 0.00 0.00 0.00 0.00 179.25 179.90 3ibb h ALA 357 N 0.90 0.88 -0.80 0.00 0.00 -1.44 0.98 119.26 119.78 3ibb h ALA 357 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ibb h ALA 357 Cb 0.51 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 357 CO 0.02 0.51 0.35 -0.09 0.00 0.00 0.00 179.25 180.04 3ibb h ARG 358 N 0.96 1.18 -0.76 0.00 2.43 -1.74 -2.56 114.38 113.90 3ibb h ARG 358 Ca 0.22 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3ibb h ARG 358 Cb 0.22 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3ibb h ARG 358 CO -0.02 0.94 0.33 0.35 -1.51 0.00 0.00 179.97 180.06 3ibb h PHE 359 N 1.15 1.13 -0.17 2.20 3.57 -0.97 0.27 116.94 124.13 3ibb h PHE 359 Ca 0.27 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3ibb h PHE 359 Cb 0.18 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3ibb h PHE 359 CO 0.02 0.85 -0.02 0.28 -2.23 0.00 0.00 178.31 177.21 3ibb h VAL 360 N 1.09 1.27 -0.29 1.41 2.07 -1.20 0.29 116.25 120.88 3ibb h VAL 360 Ca 0.26 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3ibb h VAL 360 Cb 0.18 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3ibb h VAL 360 CO -0.03 0.28 0.12 0.03 0.02 0.00 0.00 177.57 177.99 3ibb h ARG 361 N 0.04 0.40 0.18 1.57 3.08 -1.36 0.13 114.38 118.43 3ibb h ARG 361 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ibb h ARG 361 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3ibb h ARG 361 CO 0.01 0.33 -0.09 1.15 -1.07 0.00 0.00 179.97 180.31 3ibb h THR 362 N 0.41 0.90 -0.26 2.04 2.02 -0.40 -1.45 112.91 116.17 3ibb h THR 362 Ca 0.10 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3ibb h THR 362 Cb 0.08 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3ibb h THR 362 CO -0.01 0.10 0.03 0.00 0.37 0.00 0.00 175.52 176.00 3ibb h ASP 364 N 0.24 0.57 -0.90 0.00 3.58 -0.83 1.05 116.42 120.12 3ibb h ASP 364 Ca 0.08 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.57 3ibb h ASP 364 Cb 0.36 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 3ibb h ASP 364 CO 0.01 0.41 0.59 0.00 -2.88 0.00 0.00 179.24 177.37 3ibb h ALA 365 N 1.68 1.48 -0.55 -0.78 0.00 -1.26 0.28 119.26 120.11 3ibb h ALA 365 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ibb h ALA 365 Cb -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ibb h ALA 365 CO -0.04 0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.80 3ibb n PHE 366 N -4.47 1.32 -3.39 0.00 3.72 -1.17 -4.90 117.46 108.57 3ibb n PHE 366 Ca 0.13 -0.64 -0.19 0.00 -0.05 0.00 0.00 57.45 56.69 3ibb n PHE 366 Cb 0.16 -0.24 0.07 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.79 -5.01 -4.57 4.37 3.02 1.00 -4.65 115.26 110.21 3ibb n ASN 367 Ca 0.24 -0.47 -0.35 0.00 -0.03 0.00 0.00 54.58 53.97 3ibb n ASN 367 Cb 0.86 -4.37 -0.11 0.00 -0.61 0.00 0.00 39.78 35.55 3ibb n ASN 367 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ibb s VAL 368 N -3.28 4.53 0.35 2.41 1.01 0.36 -4.68 120.40 121.10 3ibb s VAL 368 Ca 0.40 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 3ibb s VAL 368 Cb -0.18 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 3ibb s VAL 368 CO 0.62 0.44 1.26 -2.84 0.00 0.00 0.00 175.10 174.58 3ibb s PRO 369 N 0.62 4.26 -0.21 2.72 0.02 -1.26 -4.00 135.00 137.15 3ibb s PRO 369 Ca 0.02 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.13 3ibb s PRO 369 Cb -0.13 -2.96 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3ibb s PRO 369 CO 0.02 -0.23 -0.11 0.08 -0.33 0.00 0.00 177.00 176.43 3ibb s VAL 370 N -1.21 2.79 -0.32 3.83 1.01 -1.12 0.22 120.40 125.61 3ibb s VAL 370 Ca 0.51 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 3ibb s VAL 370 Cb -0.37 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3ibb s VAL 370 CO 0.49 0.44 0.31 -0.76 0.00 0.00 0.00 175.10 175.58 3ibb s LEU 371 N 1.38 4.33 -0.18 3.92 1.43 0.15 -2.34 118.68 127.37 3ibb s LEU 371 Ca 0.05 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3ibb s LEU 371 Cb -0.14 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3ibb s LEU 371 CO -0.07 -0.25 -0.02 0.28 0.23 0.00 0.00 176.35 176.52 3ibb s THR 372 N 1.92 3.89 -0.07 5.49 -1.32 -0.23 -1.49 115.64 123.83 3ibb s THR 372 Ca 0.10 -0.34 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 3ibb s THR 372 Cb -0.17 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.07 3ibb s THR 372 CO 0.11 0.46 -0.16 -0.36 -2.21 0.00 0.00 174.62 172.46 3ibb s PHE 373 N 0.74 2.68 -0.12 9.09 0.40 -0.29 -0.46 117.98 130.02 3ibb s PHE 373 Ca -0.01 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 3ibb s PHE 373 Cb -0.14 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.73 3ibb s PHE 373 CO 0.02 0.03 -0.20 0.08 0.70 0.00 0.00 175.22 175.85 3ibb s VAL 374 N -0.41 1.88 -0.45 -0.44 1.01 0.88 -2.82 120.40 120.05 3ibb s VAL 374 Ca 0.04 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3ibb s VAL 374 Cb -0.12 -1.66 0.25 0.00 0.00 0.00 0.00 36.38 34.85 3ibb s VAL 374 CO 0.02 0.52 0.79 -0.67 0.00 0.00 0.00 175.10 175.76 3ibb n ASP 375 N 3.98 -1.83 -4.48 3.32 2.03 -1.24 -0.49 116.55 117.84 3ibb n ASP 375 Ca -0.20 -3.15 -0.36 0.00 0.52 0.00 0.00 54.79 51.61 3ibb n ASP 375 Cb 0.52 1.03 -0.12 0.00 -0.72 0.00 0.00 41.12 41.83 3ibb n ASP 375 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ibb s VAL 376 N -0.00 4.31 0.01 5.18 0.11 -0.29 -4.60 120.40 125.12 3ibb s VAL 376 Ca 0.32 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.94 3ibb s VAL 376 Cb 0.22 -2.99 -0.18 0.00 -1.53 0.00 0.00 36.38 31.90 3ibb s VAL 376 CO -0.19 0.38 1.39 1.55 -3.33 0.00 0.00 175.10 174.90 3ibb h PRO 377 N 7.82 -0.04 0.00 1.54 0.13 -1.75 -1.85 132.00 137.84 3ibb h PRO 377 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3ibb h PRO 377 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ibb h PRO 377 CO 0.60 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 3ibb n GLY 378 N -0.20 -0.58 3.78 1.56 0.00 -1.26 -2.62 105.19 105.88 3ibb n GLY 378 Ca -0.08 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 0.89 -0.14 -0.14 1.61 0.40 -1.26 -4.15 117.98 115.18 3ibb s PHE 379 Ca 0.00 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.82 3ibb s PHE 379 Cb 0.00 0.62 -0.03 0.00 0.51 0.00 0.00 43.02 44.12 3ibb s PHE 379 CO 0.00 -1.17 0.68 -1.17 0.70 0.00 0.00 175.22 174.26 3ibb s LEU 380 N -2.92 4.22 0.34 -0.37 2.96 0.76 -4.76 118.68 118.90 3ibb s LEU 380 Ca 0.12 1.01 -0.28 0.00 -0.22 0.00 0.00 54.13 54.76 3ibb s LEU 380 Cb -0.05 -3.01 -0.09 0.00 0.50 0.00 0.00 46.19 43.54 3ibb s LEU 380 CO 0.05 -0.23 1.18 -2.84 -1.32 0.00 0.00 176.35 173.20 3ibb s PRO 381 N 1.51 4.35 -0.03 0.98 0.02 -1.26 -4.91 135.00 135.66 3ibb s PRO 381 Ca 0.33 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.99 3ibb s PRO 381 Cb -0.16 -2.97 0.10 0.00 0.02 0.00 0.00 34.50 31.49 3ibb s PRO 381 CO 0.13 -0.08 0.87 0.20 -0.33 0.00 0.00 177.00 177.78 3ibb s GLY 382 N -0.87 -0.44 -0.16 0.52 0.00 -1.26 -4.97 107.32 100.13 3ibb s GLY 382 Ca 0.50 1.25 0.16 0.00 0.00 0.00 0.00 44.72 46.64 3ibb s GLY 382 CO 0.43 0.56 1.64 -0.62 0.00 0.00 0.00 173.10 175.11 3ibb n VAL 383 N 0.11 2.20 -0.02 1.40 0.31 -1.26 -4.30 118.33 116.77 3ibb n VAL 383 Ca -0.11 -1.34 -0.03 0.00 -0.01 0.00 0.00 64.34 62.84 3ibb n VAL 383 Cb 0.61 -0.05 -0.02 0.00 -0.91 0.00 0.00 33.84 33.47 3ibb n VAL 383 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3ibb n ASP 384 N 0.75 2.35 -0.09 4.52 5.75 -1.26 -4.44 116.55 124.13 3ibb n ASP 384 Ca 0.26 0.01 -0.10 0.00 -0.01 0.00 0.00 54.79 54.94 3ibb n ASP 384 Cb 0.99 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.96 3ibb n ASP 384 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3ibb h GLN 385 N -0.06 0.45 -0.24 0.11 1.08 -1.94 0.51 115.11 115.03 3ibb h GLN 385 Ca -0.10 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3ibb h GLN 385 Cb 1.12 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 3ibb h GLN 385 CO -0.03 0.52 0.11 1.49 -0.95 0.00 0.00 178.83 179.97 3ibb h GLU 386 N 0.30 0.35 -0.24 1.46 4.22 -1.85 0.31 114.58 119.12 3ibb h GLU 386 Ca 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 3ibb h GLU 386 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ibb h GLU 386 CO -0.00 0.36 0.04 0.45 -2.18 0.00 0.00 179.01 177.68 3ibb h HIS 387 N 0.25 0.44 -0.79 0.92 3.86 -1.72 -3.12 115.15 114.98 3ibb h HIS 387 Ca 0.08 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3ibb h HIS 387 Cb 0.14 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 3ibb h HIS 387 CO -0.02 0.53 0.34 -0.44 0.86 0.00 0.00 177.93 179.21 3ibb h ASP 388 N 0.21 1.07 0.00 2.45 3.32 0.02 -3.47 116.42 120.03 3ibb h ASP 388 Ca 0.07 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ibb h ASP 388 Cb 0.34 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ibb h ASP 388 CO 0.01 0.94 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 3ibb n GLY 389 N -0.92 0.68 0.32 2.75 0.00 -0.75 -5.01 105.19 102.27 3ibb n GLY 389 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 0.64 -0.33 -0.61 2.10 -0.58 -1.60 117.51 117.13 3ibb h ILE 390 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3ibb h ILE 390 Cb 0.00 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 36.60 3ibb h ILE 390 CO 0.00 0.00 0.18 0.40 -1.08 0.00 0.00 178.15 177.65 3ibb h ILE 391 N 0.00 1.14 -0.12 2.19 5.03 -1.88 2.18 117.51 126.05 3ibb h ILE 391 Ca 0.08 -0.38 -0.02 0.00 -0.12 0.00 0.00 64.86 64.42 3ibb h ILE 391 Cb 0.38 0.79 -0.00 0.00 -3.03 0.00 0.00 36.82 34.96 3ibb h ILE 391 CO -0.00 0.14 -0.02 0.08 -0.68 0.00 0.00 178.15 177.67 3ibb h ARG 392 N 0.41 0.22 -0.44 2.37 0.11 -1.71 -3.31 114.38 112.02 3ibb h ARG 392 Ca 0.12 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 60.00 3ibb h ARG 392 Cb 0.07 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 3ibb h ARG 392 CO -0.02 0.51 -0.16 0.00 0.10 0.00 0.00 179.97 180.40 3ibb h ARG 393 N -0.09 0.89 -0.62 0.08 3.08 -1.03 -3.28 114.38 113.41 3ibb h ARG 393 Ca 0.03 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 3ibb h ARG 393 Cb 0.42 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3ibb h ARG 393 CO 0.01 1.02 0.27 0.78 -1.07 0.00 0.00 179.97 180.98 3ibb h GLY 394 N 0.73 0.96 2.00 0.04 0.00 0.34 -2.65 103.07 104.49 3ibb h GLY 394 Ca 0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3ibb h GLY 394 CO 0.05 0.45 -0.03 0.00 0.00 0.00 0.00 176.54 177.01 3ibb h ALA 395 N 1.41 1.91 -0.55 3.60 0.00 -1.65 -2.54 119.26 121.44 3ibb h ALA 395 Ca 0.21 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3ibb h ALA 395 Cb 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ibb h ALA 395 CO -0.02 0.04 0.37 0.87 0.00 0.00 0.00 179.25 180.50 3ibb h LYS 396 N 0.00 0.52 -0.75 0.00 6.56 -1.60 2.76 116.57 124.07 3ibb h LYS 396 Ca -0.00 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 3ibb h LYS 396 Cb 0.05 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.56 3ibb h LYS 396 CO 0.00 0.35 0.30 1.25 -2.06 0.00 0.00 179.45 179.29 3ibb h LEU 397 N 0.54 1.03 -0.22 2.94 5.85 -1.64 0.49 115.31 124.30 3ibb h LEU 397 Ca 0.23 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ibb h LEU 397 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ibb h LEU 397 CO -0.06 0.93 0.10 0.40 -0.34 0.00 0.00 178.44 179.46 3ibb h ILE 398 N 1.08 1.14 -0.65 4.05 2.04 0.47 -2.38 117.51 123.26 3ibb h ILE 398 Ca 0.25 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3ibb h ILE 398 Cb 0.22 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3ibb h ILE 398 CO -0.02 0.14 0.16 0.15 0.00 0.00 0.00 178.15 178.58 3ibb h PHE 399 N 0.21 1.10 -0.36 1.37 3.57 -1.16 0.15 116.94 121.82 3ibb h PHE 399 Ca 0.07 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3ibb h PHE 399 Cb 0.13 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3ibb h PHE 399 CO -0.02 0.91 0.16 0.00 -2.23 0.00 0.00 178.31 177.12 3ibb h ALA 400 N 1.06 0.47 -0.02 2.41 0.00 -0.83 -1.34 119.26 121.02 3ibb h ALA 400 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ibb h ALA 400 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ibb h ALA 400 CO 0.00 0.05 0.01 1.88 0.00 0.00 0.00 179.25 181.19 3ibb h TYR 401 N 0.44 0.03 -0.73 0.00 0.05 -1.32 -1.74 116.97 113.70 3ibb h TYR 401 Ca 0.12 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3ibb h TYR 401 Cb 0.16 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3ibb h TYR 401 CO -0.01 0.21 0.29 0.00 -1.05 0.00 0.00 178.16 177.60 3ibb h ALA 402 N 0.81 0.95 -0.39 3.88 0.00 -0.63 -3.24 119.26 120.63 3ibb h ALA 402 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3ibb h ALA 402 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ibb h ALA 402 CO -0.00 0.58 0.02 1.49 0.00 0.00 0.00 179.25 181.34 3ibb h GLU 403 N 1.05 0.67 -6.60 0.00 4.81 -1.20 -3.46 114.58 109.86 3ibb h GLU 403 Ca 0.24 -0.20 -0.52 0.00 -0.13 0.00 0.00 59.36 58.74 3ibb h GLU 403 Cb 0.22 -0.07 0.04 0.00 0.63 0.00 0.00 28.75 29.57 3ibb h GLU 403 CO -0.02 0.75 0.90 0.00 -0.73 0.00 0.00 179.01 179.91 3ibb s ALA 404 N -5.07 3.78 0.09 2.92 0.00 -0.66 -4.89 121.76 117.93 3ibb s ALA 404 Ca -0.13 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 3ibb s ALA 404 Cb 0.10 -3.63 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 3ibb s ALA 404 CO 0.78 -0.82 1.32 1.79 0.00 0.00 0.00 175.76 178.84 3ibb h THR 405 N 4.08 1.31 -4.07 0.00 1.35 -1.90 -3.48 112.91 110.19 3ibb h THR 405 Ca -0.43 -1.78 -0.52 0.00 -0.55 0.00 0.00 66.41 63.13 3ibb h THR 405 Cb 1.20 1.90 0.10 0.00 -1.73 0.00 0.00 68.15 69.63 3ibb h THR 405 CO 0.92 0.56 0.49 0.68 -0.25 0.00 0.00 175.52 177.91 3ibb s VAL 406 N -3.92 2.71 0.28 6.82 -7.23 -1.26 -4.74 120.40 113.05 3ibb s VAL 406 Ca -0.12 0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 3ibb s VAL 406 Cb 0.08 -3.20 -0.12 0.00 0.56 0.00 0.00 36.38 33.70 3ibb s VAL 406 CO 0.86 -0.07 1.64 -2.65 -0.31 0.00 0.00 175.10 174.57 3ibb n PRO 407 N -1.28 2.76 -4.97 4.82 -0.02 -1.26 -4.72 135.00 130.33 3ibb n PRO 407 Ca 0.12 0.98 -0.32 0.00 -2.02 0.00 0.00 63.50 62.26 3ibb n PRO 407 Cb 0.49 -2.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.03 3ibb n PRO 407 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ibb s LEU 408 N -0.13 2.47 -0.14 2.45 1.02 -1.26 -2.77 118.68 120.31 3ibb s LEU 408 Ca 0.66 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.44 3ibb s LEU 408 Cb -0.49 -1.52 0.01 0.00 0.02 0.00 0.00 46.19 44.21 3ibb s LEU 408 CO 0.45 0.19 -0.22 -0.63 0.02 0.00 0.00 176.35 176.16 3ibb s ILE 409 N 0.17 2.11 -0.17 -0.59 1.01 -0.99 -1.95 121.20 120.80 3ibb s ILE 409 Ca -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 3ibb s ILE 409 Cb -0.16 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3ibb s ILE 409 CO 0.06 0.55 -0.09 -0.89 0.00 0.00 0.00 174.94 174.57 3ibb s THR 410 N 0.78 3.26 -0.17 2.92 2.01 -0.42 -1.07 115.64 122.95 3ibb s THR 410 Ca -0.08 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 3ibb s THR 410 Cb -0.16 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3ibb s THR 410 CO -0.01 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 3ibb s VAL 411 N 0.75 3.36 0.39 3.82 1.01 0.39 -1.96 120.40 128.16 3ibb s VAL 411 Ca -0.04 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 3ibb s VAL 411 Cb -0.15 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 3ibb s VAL 411 CO 0.02 0.48 1.34 -0.63 0.00 0.00 0.00 175.10 176.31 3ibb s ILE 412 N 0.75 2.50 0.06 2.22 1.01 -0.91 -0.08 121.20 126.74 3ibb s ILE 412 Ca -0.03 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 3ibb s ILE 412 Cb -0.15 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 3ibb s ILE 412 CO 0.02 0.08 -0.03 0.35 0.00 0.00 0.00 174.94 175.36 3ibb n THR 413 N 0.27 1.05 0.02 2.92 -2.24 0.36 -3.17 114.28 113.48 3ibb n THR 413 Ca 0.03 0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 62.12 3ibb n THR 413 Cb 0.42 -1.56 -0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 -3.40 0.04 -4.07 -0.78 0.63 -1.17 -4.35 116.66 103.55 3ibb n ARG 414 Ca -0.01 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3ibb n ARG 414 Cb 0.04 -0.57 -0.10 0.00 0.45 0.00 0.00 32.46 32.28 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 -2.06 0.76 -0.35 -0.14 1.02 -1.26 0.65 119.74 118.37 3ibb s LYS 415 Ca -0.02 -1.25 -0.05 0.00 0.02 0.00 0.00 55.97 54.66 3ibb s LYS 415 Cb 0.01 0.24 0.23 0.00 -0.52 0.00 0.00 37.83 37.79 3ibb s LYS 415 CO 0.03 -0.19 1.12 0.00 -0.92 0.00 0.00 175.35 175.39 3ibb n ALA 416 N 0.01 -3.60 -3.02 5.17 0.00 0.94 -1.13 120.51 118.88 3ibb n ALA 416 Ca -0.11 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 3ibb n ALA 416 Cb 0.62 -3.17 -0.14 0.00 0.00 0.00 0.00 19.45 16.76 3ibb n ALA 416 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ibb s PHE 417 N 0.73 2.83 0.00 0.00 0.08 -1.01 -3.66 117.98 116.94 3ibb s PHE 417 Ca 0.25 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3ibb s PHE 417 Cb 0.15 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 3ibb s PHE 417 CO -0.10 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 3ibb n GLY 418 N 3.42 -0.33 0.30 4.36 0.00 -0.92 -3.75 105.19 108.27 3ibb n GLY 418 Ca -0.18 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 0.10 1.80 -0.02 0.00 -1.91 0.69 103.07 103.73 3ibb h GLY 419 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3ibb h GLY 419 CO 0.00 0.03 0.12 0.00 0.00 0.00 0.00 176.54 176.69 3ibb h ALA 420 N 1.89 1.89 0.05 3.60 0.00 -1.77 -0.82 119.26 124.10 3ibb h ALA 420 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ibb h ALA 420 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ibb h ALA 420 CO -0.01 0.09 -0.02 -0.92 0.00 0.00 0.00 179.25 178.39 3ibb h TYR 421 N 0.23 -0.06 -0.68 0.00 3.20 0.26 -0.62 116.97 119.30 3ibb h TYR 421 Ca 0.07 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3ibb h TYR 421 Cb 0.00 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3ibb h TYR 421 CO -0.00 -0.03 0.14 0.00 -1.64 0.00 0.00 178.16 176.63 3ibb h ALA 422 N 0.89 0.96 -0.45 1.82 0.00 -1.27 -3.26 119.26 117.95 3ibb h ALA 422 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3ibb h ALA 422 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ibb h ALA 422 CO 0.01 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.30 3ibb h VAL 423 N 1.04 1.20 -0.74 0.00 2.07 -0.28 -3.04 116.25 116.51 3ibb h VAL 423 Ca 0.21 -0.74 -0.72 0.00 0.82 0.00 0.00 66.70 66.27 3ibb h VAL 423 Cb 0.40 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 3ibb h VAL 423 CO 0.01 0.27 2.51 0.23 0.02 0.00 0.00 177.57 180.61 3ibb n MET 424 N -4.30 3.19 -2.73 1.57 2.81 -0.72 -4.55 117.12 112.40 3ibb n MET 424 Ca 0.03 -3.09 -0.20 0.00 -1.81 0.00 0.00 57.70 52.63 3ibb n MET 424 Cb 0.22 -3.17 0.01 0.00 -0.71 0.00 0.00 33.22 29.56 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 3.82 -0.51 3.78 3.03 0.00 -1.25 -4.92 105.19 109.14 3ibb n GLY 425 Ca 0.46 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.33 5.87 0.49 1.61 1.04 -1.15 -4.59 113.70 114.64 3ibb s SER 426 Ca 0.15 2.15 0.15 0.00 0.48 0.00 0.00 55.95 58.87 3ibb s SER 426 Cb -0.07 -2.58 1.17 0.00 0.10 0.00 0.00 66.02 64.65 3ibb s SER 426 CO 0.18 -1.11 2.10 0.50 0.98 0.00 0.00 173.24 175.89 3ibb h LYS 427 N 1.35 0.15 -0.66 4.02 1.63 -1.83 1.53 116.57 122.76 3ibb h LYS 427 Ca -0.50 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.34 3ibb h LYS 427 Cb 1.25 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.81 3ibb h LYS 427 CO 0.58 0.10 0.43 0.45 -3.45 0.00 0.00 179.45 177.56 3ibb h HIS 428 N 0.16 0.70 0.00 1.91 3.86 -1.90 3.03 115.15 122.91 3ibb h HIS 428 Ca 0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3ibb h HIS 428 Cb 0.16 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 3ibb h HIS 428 CO -0.00 0.38 -0.05 1.25 0.86 0.00 0.00 177.93 180.37 3ibb h LEU 429 N 0.70 0.00 0.00 2.43 5.85 0.19 -3.44 115.31 121.04 3ibb h LEU 429 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3ibb h LEU 429 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3ibb h LEU 429 CO -0.08 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.68 3ibb n GLY 430 N -1.23 1.16 3.78 3.75 0.00 1.01 -4.42 105.19 109.23 3ibb n GLY 430 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 2.62 -0.23 4.61 0.00 -1.14 -4.98 121.76 120.64 3ibb s ALA 431 Ca 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 3ibb s ALA 431 Cb 0.00 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 3ibb s ALA 431 CO 0.00 -0.98 -0.07 -0.25 0.00 0.00 0.00 175.76 174.45 3ibb n ASP 432 N -2.00 1.98 -4.04 0.00 8.00 -0.82 -4.67 116.55 115.00 3ibb n ASP 432 Ca 0.10 0.20 -0.28 0.00 0.71 0.00 0.00 54.79 55.51 3ibb n ASP 432 Cb 0.52 -0.74 -0.17 0.00 -0.02 0.00 0.00 41.12 40.71 3ibb n ASP 432 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ibb s LEU 433 N -7.21 1.67 -0.17 0.64 1.02 -1.19 -5.03 118.68 108.41 3ibb s LEU 433 Ca -0.33 -0.42 -0.00 0.00 0.02 0.00 0.00 54.13 53.40 3ibb s LEU 433 Cb 0.10 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 45.24 3ibb s LEU 433 CO 0.59 -0.01 -0.15 0.20 0.02 0.00 0.00 176.35 177.01 3ibb s ASN 434 N 1.10 3.61 -0.07 2.29 -0.87 -1.26 -1.30 114.94 118.44 3ibb s ASN 434 Ca -0.04 -0.51 0.03 0.00 -1.57 0.00 0.00 52.86 50.77 3ibb s ASN 434 Cb -0.14 -1.57 0.01 0.00 -0.02 0.00 0.00 41.25 39.53 3ibb s ASN 434 CO -0.03 0.04 -0.17 -1.48 -2.57 0.00 0.00 177.10 172.90 3ibb s LEU 435 N 1.06 1.82 -0.09 0.60 -0.00 -0.83 0.15 118.68 121.39 3ibb s LEU 435 Ca -0.01 -0.39 0.03 0.00 -0.00 0.00 0.00 54.13 53.76 3ibb s LEU 435 Cb -0.15 -1.03 0.01 0.00 -0.00 0.00 0.00 46.19 45.02 3ibb s LEU 435 CO -0.04 0.09 -0.18 0.00 -0.00 0.00 0.00 176.35 176.22 3ibb s ALA 436 N 0.49 1.72 0.73 1.48 0.00 -0.99 -2.14 121.76 123.05 3ibb s ALA 436 Ca -0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 3ibb s ALA 436 Cb -0.16 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.27 3ibb s ALA 436 CO 0.05 0.15 1.10 -1.58 0.00 0.00 0.00 175.76 175.48 3ibb s TRP 437 N 0.60 3.19 0.16 0.00 0.51 -1.19 -1.79 118.94 120.41 3ibb s TRP 437 Ca -0.15 1.08 -0.14 0.00 -2.12 0.00 0.00 56.10 54.77 3ibb s TRP 437 Cb -0.17 -3.08 0.04 0.00 -0.81 0.00 0.00 33.47 29.46 3ibb s TRP 437 CO 0.05 -1.34 1.78 -1.35 -0.51 0.00 0.00 176.95 175.58 3ibb h PRO 438 N -0.77 0.68 -3.59 4.98 0.11 -1.89 -2.69 132.00 128.82 3ibb h PRO 438 Ca -0.45 -0.07 -0.73 0.00 0.11 0.00 0.00 66.00 64.85 3ibb h PRO 438 Cb 1.26 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 3ibb h PRO 438 CO 0.62 0.51 2.55 0.25 -0.21 0.00 0.00 178.00 181.72 3ibb n THR 439 N -4.68 4.08 -4.47 -1.15 -2.24 -1.26 -4.62 114.28 99.94 3ibb n THR 439 Ca 0.02 -3.80 -0.29 0.00 -2.27 0.00 0.00 64.05 57.71 3ibb n THR 439 Cb 0.07 -2.44 -0.17 0.00 -2.10 0.00 0.00 70.33 65.69 3ibb n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ibb s ALA 440 N 1.38 1.81 -0.51 6.98 0.00 -1.01 -3.79 121.76 126.62 3ibb s ALA 440 Ca 0.45 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 3ibb s ALA 440 Cb 0.12 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.40 3ibb s ALA 440 CO -0.04 -0.09 0.82 -0.65 0.00 0.00 0.00 175.76 175.80 3ibb s GLN 441 N 0.99 3.30 -0.26 0.00 -1.52 0.21 -2.88 119.66 119.50 3ibb s GLN 441 Ca -0.06 -0.38 -0.12 0.00 -1.95 0.00 0.00 55.36 52.85 3ibb s GLN 441 Cb -0.15 -4.03 -0.05 0.00 -0.22 0.00 0.00 33.01 28.56 3ibb s GLN 441 CO -0.02 -1.32 0.24 0.42 -0.25 0.00 0.00 175.29 174.36 3ibb s ILE 442 N 3.44 5.28 0.06 1.08 1.01 -1.26 -0.04 121.20 130.77 3ibb s ILE 442 Ca 0.26 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.17 3ibb s ILE 442 Cb -0.14 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3ibb s ILE 442 CO 0.18 0.26 0.12 0.00 0.00 0.00 0.00 174.94 175.50 3ibb s ALA 443 N 1.59 -0.05 0.20 9.38 0.00 -1.24 -4.25 121.76 127.40 3ibb s ALA 443 Ca 0.10 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 3ibb s ALA 443 Cb -0.15 0.35 0.13 0.00 0.00 0.00 0.00 23.12 23.44 3ibb s ALA 443 CO 0.09 -0.41 1.74 -0.39 0.00 0.00 0.00 175.76 176.79 3ibb h VAL 444 N 3.19 1.26 -3.10 0.00 -1.51 -1.92 -2.56 116.25 111.60 3ibb h VAL 444 Ca -0.33 -0.88 -0.06 0.00 -1.23 0.00 0.00 66.70 64.21 3ibb h VAL 444 Cb 1.18 0.45 -0.14 0.00 -2.13 0.00 0.00 31.29 30.65 3ibb h VAL 444 CO 0.55 0.35 -0.02 0.00 -1.23 0.00 0.00 177.57 177.23 3ibb s MET 445 N -5.45 1.05 0.29 5.19 0.23 -1.26 -2.16 119.30 117.20 3ibb s MET 445 Ca -0.12 -0.48 -0.29 0.00 -1.03 0.00 0.00 55.69 53.76 3ibb s MET 445 Cb 0.15 0.47 -0.10 0.00 -1.53 0.00 0.00 34.83 33.82 3ibb s MET 445 CO 0.84 -0.40 1.19 0.20 -2.03 0.00 0.00 175.02 174.81 3ibb s GLY 446 N -2.41 3.01 0.10 3.16 0.00 -1.26 -4.88 107.32 105.04 3ibb s GLY 446 Ca -0.01 1.04 -0.17 0.00 0.00 0.00 0.00 44.72 45.59 3ibb s GLY 446 CO -0.07 1.68 1.50 0.00 0.00 0.00 0.00 173.10 176.21 3ibb h ALA 447 N 3.74 0.42 -0.59 3.20 0.00 -1.98 -0.45 119.26 123.59 3ibb h ALA 447 Ca -0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3ibb h ALA 447 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3ibb h ALA 447 CO 0.67 0.24 0.27 0.37 0.00 0.00 0.00 179.25 180.79 3ibb h GLN 448 N 0.35 0.83 -0.11 0.00 4.15 -1.93 -1.19 115.11 117.21 3ibb h GLN 448 Ca 0.08 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3ibb h GLN 448 Cb 0.55 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 3ibb h GLN 448 CO 0.03 0.65 0.02 0.78 -1.93 0.00 0.00 178.83 178.39 3ibb h GLY 449 N 0.93 0.19 1.27 2.39 0.00 -1.59 -3.05 103.07 103.21 3ibb h GLY 449 Ca 0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3ibb h GLY 449 CO -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 176.54 176.58 3ibb h ALA 450 N 0.81 0.97 -0.50 3.60 0.00 -1.16 -3.22 119.26 119.76 3ibb h ALA 450 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ibb h ALA 450 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ibb h ALA 450 CO 0.00 0.62 0.33 0.28 0.00 0.00 0.00 179.25 180.48 3ibb h VAL 451 N 0.80 1.10 0.17 0.00 2.07 -1.30 -1.03 116.25 118.06 3ibb h VAL 451 Ca 0.14 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3ibb h VAL 451 Cb 0.55 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3ibb h VAL 451 CO 0.03 0.12 -0.08 0.78 0.02 0.00 0.00 177.57 178.44 3ibb h ASN 452 N 0.64 -0.20 -0.26 0.57 -0.26 -1.54 -3.03 115.58 111.49 3ibb h ASN 452 Ca 0.19 0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.83 3ibb h ASN 452 Cb -0.01 0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 3ibb h ASN 452 CO -0.04 -0.14 -0.26 0.40 -1.06 0.00 0.00 177.43 176.32 3ibb h ILE 453 N -0.23 1.31 -0.42 2.81 2.04 -1.31 -3.04 117.51 118.67 3ibb h ILE 453 Ca -0.02 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.42 3ibb h ILE 453 Cb 0.18 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3ibb h ILE 453 CO 0.04 0.45 0.27 -0.07 0.00 0.00 0.00 178.15 178.84 3ibb h LEU 454 N 0.37 0.47 -3.56 1.44 3.38 -1.22 -2.77 115.31 113.40 3ibb h LEU 454 Ca 0.04 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3ibb h LEU 454 Cb 0.82 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 3ibb h LEU 454 CO 0.07 0.34 0.12 1.41 0.09 0.00 0.00 178.44 180.46 3ibb n HIS 455 N -4.81 1.93 -0.33 1.13 8.25 -1.15 -4.69 115.22 115.55 3ibb n HIS 455 Ca 0.01 -1.05 0.23 0.00 -0.26 0.00 0.00 57.72 56.65 3ibb n HIS 455 Cb 0.03 -0.55 0.45 0.00 1.12 0.00 0.00 29.99 31.04 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 2.66 0.27 -0.54 -0.41 2.43 -1.37 5.46 114.38 122.89 3ibb h ARG 456 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3ibb h ARG 456 Cb 2.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3ibb h ARG 456 CO 0.54 0.18 0.00 0.54 -1.51 0.00 0.00 179.97 179.72 3ibb n ARG 457 N -5.10 2.65 0.01 0.20 1.74 -1.26 -4.27 116.66 110.63 3ibb n ARG 457 Ca 0.30 -2.38 -0.12 0.00 -0.77 0.00 0.00 57.85 54.89 3ibb n ARG 457 Cb 0.96 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 30.80 3ibb n ARG 457 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3ibb h THR 458 N 3.60 1.01 -0.09 0.55 2.02 1.07 -3.38 112.91 117.69 3ibb h THR 458 Ca 0.00 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.40 3ibb h THR 458 Cb 0.90 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 3ibb h THR 458 CO 0.00 0.68 0.00 0.00 0.37 0.00 0.00 175.52 176.57 3ibb n ILE 459 N -3.23 0.29 -0.06 3.11 0.00 -0.65 -4.34 119.36 114.49 3ibb n ILE 459 Ca -0.16 -0.65 0.00 0.00 0.00 0.00 0.00 62.75 61.95 3ibb n ILE 459 Cb 1.03 0.98 0.30 0.00 0.00 0.00 0.00 39.64 41.96 3ibb n ILE 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ibb h ALA 460 N 1.70 1.44 -2.40 1.51 0.00 -1.75 -3.44 119.26 116.32 3ibb h ALA 460 Ca 0.00 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.28 3ibb h ALA 460 Cb 0.46 -0.19 0.07 0.00 0.00 0.00 0.00 17.79 18.14 3ibb h ALA 460 CO 0.00 0.42 0.38 -0.51 0.00 0.00 0.00 179.25 179.55 3ibb s ASP 461 N -6.64 5.62 -1.17 0.00 -0.00 -1.26 -3.91 116.67 109.31 3ibb s ASP 461 Ca -0.09 1.91 -0.02 0.00 -0.00 0.00 0.00 52.55 54.35 3ibb s ASP 461 Cb 0.16 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 3ibb s ASP 461 CO 0.77 -1.28 0.99 0.00 -0.00 0.00 0.00 175.17 175.64 3ibb n ALA 462 N -2.02 -1.73 -0.27 5.23 0.00 -1.26 -4.88 120.51 115.59 3ibb n ALA 462 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 3ibb n ALA 462 Cb 0.52 -3.05 0.14 0.00 0.00 0.00 0.00 19.45 17.07 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 -1.98 1.19 -4.84 0.00 0.00 -1.89 -2.56 103.07 92.98 3ibb h GLY 463 Ca -0.55 -0.56 -0.53 0.00 0.00 0.00 0.00 47.33 45.70 3ibb h GLY 463 CO 0.48 0.53 0.97 -0.35 0.00 0.00 0.00 176.54 178.18 3ibb s ASP 464 N -6.34 6.58 -1.83 0.19 3.68 -1.26 -2.07 116.67 115.62 3ibb s ASP 464 Ca -0.12 2.55 0.00 0.00 2.13 0.00 0.00 52.55 57.12 3ibb s ASP 464 Cb 0.17 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 3ibb s ASP 464 CO 0.81 -0.88 0.00 0.47 0.13 0.00 0.00 175.17 175.71 3ibb n ASP 465 N 5.09 -5.83 -0.15 -0.34 10.43 -1.25 -4.92 116.55 119.58 3ibb n ASP 465 Ca 0.15 0.05 -0.10 0.00 2.57 0.00 0.00 54.79 57.46 3ibb n ASP 465 Cb 0.40 -4.89 -0.01 0.00 1.84 0.00 0.00 41.12 38.46 3ibb n ASP 465 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ibb h ALA 466 N 0.88 0.59 -0.57 2.24 0.00 -0.98 -3.35 119.26 118.07 3ibb h ALA 466 Ca -0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 3ibb h ALA 466 Cb 1.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3ibb h ALA 466 CO 0.59 0.37 0.20 0.93 0.00 0.00 0.00 179.25 181.34 3ibb h GLU 467 N 0.61 0.85 -0.87 0.00 3.07 -1.88 -1.51 114.58 114.84 3ibb h GLU 467 Ca 0.12 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 3ibb h GLU 467 Cb 0.48 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.20 3ibb h GLU 467 CO 0.02 0.72 0.57 0.00 -1.40 0.00 0.00 179.01 178.92 3ibb h ALA 468 N 1.39 1.12 -0.57 3.43 0.00 -1.99 -1.37 119.26 121.28 3ibb h ALA 468 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ibb h ALA 468 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ibb h ALA 468 CO -0.01 0.46 0.12 1.15 0.00 0.00 0.00 179.25 180.97 3ibb h THR 469 N 1.14 1.25 -0.37 0.00 2.02 -1.46 0.12 112.91 115.60 3ibb h THR 469 Ca 0.33 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 3ibb h THR 469 Cb -0.07 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3ibb h THR 469 CO -0.09 0.34 0.01 -0.09 0.37 0.00 0.00 175.52 176.06 3ibb h ARG 470 N 0.82 0.57 -0.92 6.66 2.43 -1.29 -0.79 114.38 121.86 3ibb h ARG 470 Ca 0.18 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3ibb h ARG 470 Cb 0.37 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 3ibb h ARG 470 CO 0.01 0.59 0.61 0.00 -1.51 0.00 0.00 179.97 179.66 3ibb h ALA 471 N 1.47 1.34 -0.33 2.80 0.00 -0.52 0.23 119.26 124.26 3ibb h ALA 471 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ibb h ALA 471 Cb 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ibb h ALA 471 CO 0.01 0.61 0.16 -0.09 0.00 0.00 0.00 179.25 179.94 3ibb h ARG 472 N 1.25 0.47 -0.58 0.00 2.43 0.58 -2.62 114.38 115.91 3ibb h ARG 472 Ca 0.34 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3ibb h ARG 472 Cb -0.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3ibb h ARG 472 CO -0.07 0.43 0.02 -0.07 -1.51 0.00 0.00 179.97 178.77 3ibb h LEU 473 N 0.39 0.98 -1.16 3.80 3.38 -0.96 -2.52 115.31 119.22 3ibb h LEU 473 Ca 0.11 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ibb h LEU 473 Cb 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3ibb h LEU 473 CO -0.01 1.04 0.49 0.40 0.09 0.00 0.00 178.44 180.44 3ibb h ILE 474 N 0.90 1.21 -0.74 1.22 2.04 -0.83 0.17 117.51 121.47 3ibb h ILE 474 Ca 0.17 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 3ibb h ILE 474 Cb 0.52 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3ibb h ILE 474 CO 0.03 0.22 0.28 -0.61 0.00 0.00 0.00 178.15 178.06 3ibb h GLN 475 N 1.08 1.11 -0.62 2.37 -0.00 -1.42 -2.89 115.11 114.74 3ibb h GLN 475 Ca 0.29 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.69 3ibb h GLN 475 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.20 3ibb h GLN 475 CO -0.06 0.91 0.25 0.93 0.00 0.00 0.00 178.83 180.87 3ibb h GLU 476 N 1.08 0.93 -0.35 1.69 5.08 -0.25 -1.57 114.58 121.19 3ibb h GLU 476 Ca 0.25 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3ibb h GLU 476 Cb 0.23 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3ibb h GLU 476 CO -0.02 0.79 0.08 -0.92 -1.00 0.00 0.00 179.01 177.95 3ibb h TYR 477 N 0.87 0.60 -0.61 4.33 5.03 -1.31 0.15 116.97 126.03 3ibb h TYR 477 Ca 0.21 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 3ibb h TYR 477 Cb 0.21 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 3ibb h TYR 477 CO 0.01 0.60 0.25 1.05 -1.32 0.00 0.00 178.16 178.75 3ibb h GLU 478 N 0.42 0.88 -0.10 1.82 4.11 -1.52 0.91 114.58 121.10 3ibb h GLU 478 Ca 0.11 -0.14 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 3ibb h GLU 478 Cb 0.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ibb h GLU 478 CO 0.00 0.72 -0.33 -0.44 0.07 0.00 0.00 179.01 179.03 3ibb h ASP 479 N 0.87 0.47 0.14 3.06 5.19 -1.01 -3.20 116.42 121.94 3ibb h ASP 479 Ca 0.21 -0.61 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 3ibb h ASP 479 Cb 0.17 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3ibb h ASP 479 CO -0.02 1.00 -0.07 0.00 -3.12 0.00 0.00 179.24 177.03 3ibb h ALA 480 N 0.49 -0.19 -0.20 3.45 0.00 -0.68 -3.44 119.26 118.68 3ibb h ALA 480 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ibb h ALA 480 Cb 0.96 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ibb h ALA 480 CO 0.07 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.30 3ibb n LEU 481 N -4.91 2.48 -3.31 0.00 4.32 0.32 -4.76 117.00 111.13 3ibb n LEU 481 Ca -0.08 -1.83 -0.26 0.00 -0.02 0.00 0.00 56.01 53.82 3ibb n LEU 481 Cb 0.27 -0.13 -0.07 0.00 -1.62 0.00 0.00 43.42 41.86 3ibb n LEU 481 CO 0.27 0.61 -0.00 0.18 -1.22 0.00 0.00 177.39 177.23 3ibb n LEU 482 N 0.25 3.01 -3.80 2.23 4.32 -1.21 -4.67 117.00 117.13 3ibb n LEU 482 Ca 0.08 -5.30 -0.11 0.00 -0.02 0.00 0.00 56.01 50.66 3ibb n LEU 482 Cb 0.34 -0.34 -0.08 0.00 -1.62 0.00 0.00 43.42 41.73 3ibb n LEU 482 CO 0.05 2.10 -0.04 0.54 -1.22 0.00 0.00 177.39 178.83 3ibb s ASN 483 N -2.33 -0.03 0.35 -1.43 6.03 -1.25 -4.60 114.94 111.69 3ibb s ASN 483 Ca 0.40 -0.34 0.15 0.00 -1.03 0.00 0.00 52.86 52.04 3ibb s ASN 483 Cb 0.18 0.33 1.08 0.00 -3.03 0.00 0.00 41.25 39.81 3ibb s ASN 483 CO -0.05 -0.62 1.68 1.55 -2.03 0.00 0.00 177.10 177.63 3ibb h PRO 484 N 3.21 0.34 -0.82 3.55 0.13 -1.78 -3.33 132.00 133.30 3ibb h PRO 484 Ca -0.32 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 3ibb h PRO 484 Cb 1.20 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 3ibb h PRO 484 CO 0.48 0.23 0.45 1.88 -0.23 0.00 0.00 178.00 180.81 3ibb h TYR 485 N 0.35 1.13 -0.76 1.56 0.05 -1.95 -0.03 116.97 117.32 3ibb h TYR 485 Ca 0.72 -0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.60 3ibb h TYR 485 Cb 1.65 -0.36 -0.09 0.00 1.01 0.00 0.00 36.73 38.95 3ibb h TYR 485 CO -0.01 0.78 0.35 1.15 -1.05 0.00 0.00 178.16 179.38 3ibb h THR 486 N 1.14 0.73 -0.41 -2.88 2.02 -1.94 1.94 112.91 113.52 3ibb h THR 486 Ca 0.29 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 67.16 3ibb h THR 486 Cb 0.03 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3ibb h THR 486 CO -0.05 0.10 -0.24 0.00 0.37 0.00 0.00 175.52 175.70 3ibb h ALA 487 N 1.51 0.80 -0.58 6.16 0.00 -1.63 -3.26 119.26 122.26 3ibb h ALA 487 Ca 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ibb h ALA 487 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ibb h ALA 487 CO -0.35 0.65 0.36 0.00 0.00 0.00 0.00 179.25 179.91 3ibb h ALA 488 N 1.00 1.55 -0.75 0.00 0.00 0.29 0.32 119.26 121.67 3ibb h ALA 488 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ibb h ALA 488 Cb 0.78 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ibb h ALA 488 CO 0.06 0.40 0.27 0.93 0.00 0.00 0.00 179.25 180.92 3ibb h GLU 489 N 0.79 1.15 0.00 0.00 5.08 0.25 -1.34 114.58 120.50 3ibb h GLU 489 Ca 0.21 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ibb h GLU 489 Cb -0.06 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3ibb h GLU 489 CO -0.04 0.95 -0.05 0.00 -1.00 0.00 0.00 179.01 178.87 3ibb h ARG 490 N 1.10 0.00 0.00 2.33 3.08 -1.24 -3.45 114.38 116.20 3ibb h ARG 490 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3ibb h ARG 490 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3ibb h ARG 490 CO -0.02 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 3ibb n GLY 491 N -1.37 0.81 0.35 0.04 0.00 -0.50 -5.00 105.19 99.52 3ibb n GLY 491 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 1.01 -3.78 1.61 0.99 -1.18 -3.40 116.97 112.22 3ibb h TYR 492 Ca 0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.17 3ibb h TYR 492 Cb 0.00 -0.34 -0.32 0.00 1.00 0.00 0.00 36.73 37.08 3ibb h TYR 492 CO 0.00 0.67 -0.84 0.08 -0.00 0.00 0.00 178.16 178.07 3ibb s VAL 493 N -5.81 1.44 0.20 -2.88 1.01 -1.25 -4.63 120.40 108.48 3ibb s VAL 493 Ca -0.11 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3ibb s VAL 493 Cb 0.17 -1.25 0.14 0.00 0.00 0.00 0.00 36.38 35.44 3ibb s VAL 493 CO 0.79 0.42 1.86 0.44 0.00 0.00 0.00 175.10 178.61 3ibb h ASP 494 N 6.39 0.76 -4.68 3.32 5.19 0.12 -3.41 116.42 124.11 3ibb h ASP 494 Ca -0.31 -0.01 -0.28 0.00 -0.62 0.00 0.00 57.03 55.80 3ibb h ASP 494 Cb 1.18 -0.18 -0.22 0.00 0.18 0.00 0.00 39.33 40.30 3ibb h ASP 494 CO 0.48 0.54 -0.74 0.00 -3.12 0.00 0.00 179.24 176.40 3ibb s ALA 495 N -6.13 0.59 -0.23 3.45 0.00 -1.04 -5.04 121.76 113.36 3ibb s ALA 495 Ca -0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 3ibb s ALA 495 Cb 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3ibb s ALA 495 CO 0.77 -0.00 0.06 0.08 0.00 0.00 0.00 175.76 176.67 3ibb s VAL 496 N -1.27 4.35 0.01 0.00 1.01 -1.26 -2.34 120.40 120.90 3ibb s VAL 496 Ca -0.09 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3ibb s VAL 496 Cb -0.09 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3ibb s VAL 496 CO 0.00 0.37 -0.14 0.27 0.00 0.00 0.00 175.10 175.60 3ibb s ILE 497 N 1.30 1.12 0.52 2.22 -4.36 -0.74 -4.93 121.20 116.33 3ibb s ILE 497 Ca 0.05 -0.79 -0.22 0.00 -0.26 0.00 0.00 60.65 59.43 3ibb s ILE 497 Cb -0.15 -0.97 -0.06 0.00 1.25 0.00 0.00 42.46 42.53 3ibb s ILE 497 CO 0.03 0.17 1.26 -0.32 0.24 0.00 0.00 174.94 176.32 3ibb s MET 498 N -0.71 3.37 0.33 0.37 -2.45 -1.26 -4.15 119.30 114.79 3ibb s MET 498 Ca 0.04 2.00 0.01 0.00 -1.25 0.00 0.00 55.69 56.48 3ibb s MET 498 Cb -0.07 -2.28 0.57 0.00 1.25 0.00 0.00 34.83 34.31 3ibb s MET 498 CO 0.00 -0.93 1.98 -1.35 1.05 0.00 0.00 175.02 175.77 3ibb h PRO 499 N 1.62 0.93 -0.68 4.11 0.11 -1.93 -2.80 132.00 133.37 3ibb h PRO 499 Ca -0.50 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 3ibb h PRO 499 Cb 1.28 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3ibb h PRO 499 CO 0.58 0.62 0.22 0.66 -0.21 0.00 0.00 178.00 179.87 3ibb h SER 500 N 0.96 0.96 0.00 -2.05 4.64 -1.88 -2.22 113.55 113.97 3ibb h SER 500 Ca 0.28 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3ibb h SER 500 Cb -0.04 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3ibb h SER 500 CO -0.07 0.89 0.00 0.47 -0.87 0.00 0.00 176.83 177.24 3ibb n ASP 501 N -4.27 0.00 -0.21 4.97 9.92 -1.06 -4.03 116.55 121.87 3ibb n ASP 501 Ca 0.06 -0.65 0.15 0.00 -0.53 0.00 0.00 54.79 53.82 3ibb n ASP 501 Cb 0.21 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.16 3ibb n ASP 501 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3ibb h THR 502 N 0.00 0.78 -0.52 -3.53 2.02 -1.54 1.58 112.91 111.70 3ibb h THR 502 Ca 0.00 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3ibb h THR 502 Cb 0.00 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3ibb h THR 502 CO 0.00 0.09 0.15 -0.09 0.37 0.00 0.00 175.52 176.04 3ibb h ARG 503 N 0.50 0.81 -0.69 6.66 2.43 -1.84 -2.09 114.38 120.16 3ibb h ARG 503 Ca 0.42 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3ibb h ARG 503 Cb 0.88 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3ibb h ARG 503 CO -0.16 0.76 0.34 0.00 -1.51 0.00 0.00 179.97 179.40 3ibb h ARG 504 N 0.71 0.99 -0.18 0.20 3.08 0.20 -0.39 114.38 118.98 3ibb h ARG 504 Ca 0.16 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3ibb h ARG 504 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3ibb h ARG 504 CO -0.00 0.78 0.03 0.45 -1.07 0.00 0.00 179.97 180.15 3ibb h HIS 505 N 0.95 0.33 -0.35 3.04 3.86 -1.17 0.40 115.15 122.21 3ibb h HIS 505 Ca 0.24 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 3ibb h HIS 505 Cb 0.11 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3ibb h HIS 505 CO 0.00 0.46 -0.17 0.82 0.86 0.00 0.00 177.93 179.91 3ibb h ILE 506 N 0.09 1.26 -0.47 2.45 2.04 -1.41 -0.32 117.51 121.15 3ibb h ILE 506 Ca 0.06 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3ibb h ILE 506 Cb 0.31 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3ibb h ILE 506 CO 0.00 0.40 0.27 1.62 0.00 0.00 0.00 178.15 180.44 3ibb h VAL 507 N 0.58 1.16 -0.19 1.67 3.04 -1.03 -0.33 116.25 121.14 3ibb h VAL 507 Ca 0.09 -0.38 -0.04 0.00 -1.01 0.00 0.00 66.70 65.37 3ibb h VAL 507 Cb 0.62 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 3ibb h VAL 507 CO 0.04 0.16 -0.03 -0.09 -1.01 0.00 0.00 177.57 176.65 3ibb h ARG 508 N 0.62 0.35 -0.62 4.17 1.12 -0.95 -3.09 114.38 115.97 3ibb h ARG 508 Ca 0.17 -0.13 -0.05 0.00 -1.11 0.00 0.00 59.98 58.86 3ibb h ARG 508 Cb 0.02 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 3ibb h ARG 508 CO -0.03 0.59 0.20 0.78 -3.11 0.00 0.00 179.97 178.40 3ibb h GLY 509 N 0.08 1.01 0.95 2.80 0.00 -1.06 -2.80 103.07 104.05 3ibb h GLY 509 Ca 0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3ibb h GLY 509 CO 0.01 0.53 0.19 1.41 0.00 0.00 0.00 176.54 178.68 3ibb h LEU 510 N 0.91 0.52 -0.20 3.11 3.38 -1.15 -1.70 115.31 120.18 3ibb h LEU 510 Ca 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ibb h LEU 510 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ibb h LEU 510 CO -0.01 0.50 0.09 0.03 0.09 0.00 0.00 178.44 179.14 3ibb h ARG 511 N 0.50 0.29 -0.36 1.13 3.08 -1.41 -2.68 114.38 114.93 3ibb h ARG 511 Ca 0.14 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3ibb h ARG 511 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3ibb h ARG 511 CO -0.02 0.33 -0.06 1.96 -1.07 0.00 0.00 179.97 181.11 3ibb h GLN 512 N 0.18 0.68 0.00 0.04 4.20 -1.54 -3.30 115.11 115.37 3ibb h GLN 512 Ca 0.07 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3ibb h GLN 512 Cb 0.14 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3ibb h GLN 512 CO -0.01 0.82 0.00 1.28 -0.67 0.00 0.00 178.83 180.25 3ibb n LEU 513 N -4.42 0.00 0.10 1.46 4.32 -0.64 -3.64 117.00 114.18 3ibb n LEU 513 Ca -0.02 0.46 0.20 0.00 -0.02 0.00 0.00 56.01 56.63 3ibb n LEU 513 Cb 0.32 -0.46 0.76 0.00 -1.62 0.00 0.00 43.42 42.42 3ibb n LEU 513 CO 0.41 -0.16 1.17 -0.09 -1.22 0.00 0.00 177.39 177.50 3ibb h ARG 514 N 0.00 0.00 -4.55 3.23 2.43 -1.56 -2.62 114.38 111.30 3ibb h ARG 514 Ca 0.00 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.46 3ibb h ARG 514 Cb 0.30 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 29.57 3ibb h ARG 514 CO 0.00 0.00 -0.53 0.95 -1.51 0.00 0.00 179.97 178.88 3ibb s THR 515 N -4.69 3.99 -0.00 0.20 -4.23 -1.24 -5.02 115.64 104.64 3ibb s THR 515 Ca -0.05 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 3ibb s THR 515 Cb 0.16 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 3ibb s THR 515 CO 0.58 -0.37 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.42 3ibb s LYS 516 N 1.40 0.92 0.19 3.99 2.20 -0.99 -5.10 119.74 122.34 3ibb s LYS 516 Ca 0.01 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 3ibb s LYS 516 Cb -0.21 -0.89 -0.05 0.00 -1.51 0.00 0.00 37.83 35.17 3ibb s LYS 516 CO 0.02 0.24 -0.13 -0.98 -0.36 0.00 0.00 175.35 174.14 3ibb s ARG 517 N -0.42 1.25 0.22 4.03 1.04 -1.26 -5.01 118.95 118.80 3ibb s ARG 517 Ca 0.04 -1.54 -0.09 0.00 -1.04 0.00 0.00 55.73 53.10 3ibb s ARG 517 Cb -0.05 -0.99 -0.02 0.00 -2.04 0.00 0.00 34.95 31.85 3ibb s ARG 517 CO -0.00 0.16 0.34 -1.21 -0.04 0.00 0.00 175.30 174.55 3ibb s GLU 518 N -3.63 1.37 0.09 3.89 2.02 -1.26 -5.13 118.70 116.05 3ibb s GLU 518 Ca 0.21 -1.35 0.04 0.00 0.02 0.00 0.00 54.97 53.88 3ibb s GLU 518 Cb -0.00 0.39 -0.03 0.00 0.10 0.00 0.00 34.13 34.59 3ibb s GLU 518 CO 0.05 -0.53 -0.10 0.45 0.02 0.00 0.00 175.26 175.15 3ibb s SER 519 N -3.05 1.40 0.24 -0.19 0.15 -1.26 -5.16 113.70 105.83 3ibb s SER 519 Ca 0.26 -0.76 -0.20 0.00 0.70 0.00 0.00 55.95 55.96 3ibb s SER 519 Cb 0.02 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 3ibb s SER 519 CO 0.08 -0.23 0.64 -0.22 1.20 0.00 0.00 173.24 174.71 3ibb s LEU 520 N -2.25 -0.21 0.28 3.45 2.96 -1.26 -5.14 118.68 116.51 3ibb s LEU 520 Ca 0.03 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 3ibb s LEU 520 Cb -0.05 2.52 -0.11 0.00 0.50 0.00 0.00 46.19 49.05 3ibb s LEU 520 CO 0.00 -1.21 1.61 -2.84 -1.32 0.00 0.00 176.35 172.59 3ibb s PRO 521 N -3.89 4.13 0.20 0.98 0.02 -1.26 -4.84 135.00 130.34 3ibb s PRO 521 Ca 0.10 2.57 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 3ibb s PRO 521 Cb -0.04 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.35 3ibb s PRO 521 CO 0.02 -0.64 1.53 -1.25 -0.33 0.00 0.00 177.00 176.32 3ibb s PRO 522 N -0.27 4.23 0.00 5.54 0.04 -1.26 -4.99 135.00 138.30 3ibb s PRO 522 Ca 0.65 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.04 3ibb s PRO 522 Cb -0.48 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 3ibb s PRO 522 CO 0.46 -0.55 -0.01 -1.59 0.04 0.00 0.00 177.00 175.35 3ibb s LYS 523 N 0.54 0.06 0.08 4.56 -2.85 -1.26 -5.05 119.74 115.82 3ibb s LYS 523 Ca 0.66 -0.10 -0.20 0.00 -1.00 0.00 0.00 55.97 55.33 3ibb s LYS 523 Cb -0.43 0.01 -0.10 0.00 -2.06 0.00 0.00 37.83 35.25 3ibb s LYS 523 CO 0.36 -0.01 1.57 0.87 0.10 0.00 0.00 175.35 178.24 3ibb h LYS 524 N 5.90 0.32 -2.76 1.78 1.57 -2.05 -3.47 116.57 117.85 3ibb h LYS 524 Ca -0.25 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.48 3ibb h LYS 524 Cb 1.21 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.35 3ibb h LYS 524 CO 0.49 0.45 0.31 -3.38 -0.57 0.00 0.00 179.45 176.75 3ibb s HIS 525 N -5.27 -0.46 -0.24 -1.35 -3.43 -1.26 -5.15 115.29 98.14 3ibb s HIS 525 Ca -0.14 0.26 -0.08 0.00 -0.80 0.00 0.00 55.06 54.30 3ibb s HIS 525 Cb 0.07 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 3ibb s HIS 525 CO 0.72 -0.77 0.09 0.20 -2.00 0.00 0.00 174.74 172.98 3ibb s GLY 526 N -2.68 1.83 -1.23 -1.38 0.00 -1.26 -5.01 107.32 97.58 3ibb s GLY 526 Ca 0.03 -1.04 -0.20 0.00 0.00 0.00 0.00 44.72 43.51 3ibb s GLY 526 CO -0.11 0.45 1.83 0.21 0.00 0.00 0.00 173.10 175.48 3ibb s ASN 527 N 1.37 5.92 0.31 1.64 3.04 -1.26 -4.93 114.94 121.03 3ibb s ASN 527 Ca 0.06 -2.02 -0.29 0.00 0.04 0.00 0.00 52.86 50.65 3ibb s ASN 527 Cb -0.15 -2.58 -0.10 0.00 -1.54 0.00 0.00 41.25 36.87 3ibb s ASN 527 CO 0.05 -2.14 1.42 -0.51 -3.04 0.00 0.00 177.10 172.88 3ibb s ILE 528 N 7.66 2.49 0.31 -5.21 2.07 -1.26 -4.99 121.20 122.27 3ibb s ILE 528 Ca 0.61 0.46 -0.29 0.00 -1.41 0.00 0.00 60.65 60.02 3ibb s ILE 528 Cb 0.01 -3.29 -0.10 0.00 0.13 0.00 0.00 42.46 39.21 3ibb s ILE 528 CO 0.10 0.09 1.37 -2.84 -1.91 0.00 0.00 174.94 171.76 3ibb s PRO 529 N -1.26 4.29 0.00 3.50 0.02 -1.26 -5.17 135.00 135.13 3ibb s PRO 529 Ca 0.55 2.30 0.11 0.00 0.02 0.00 0.00 61.00 63.97 3ibb s PRO 529 Cb -0.43 -3.07 0.09 0.00 0.02 0.00 0.00 34.50 31.11 3ibb s PRO 529 CO 0.51 -0.31 0.85 1.28 -0.33 0.00 0.00 177.00 179.01