#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixb n PRO 5 N 0.00 1.47 -0.33 0.00 -0.02 -1.26 -4.70 135.00 130.16 3ixb n PRO 5 Ca 0.00 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.08 3ixb n PRO 5 Cb 0.00 -2.06 0.24 0.00 -0.02 0.00 0.00 33.50 31.67 3ixb n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3ixb h GLN 6 N 1.76 0.79 -0.42 -0.52 4.15 -2.05 -0.39 115.11 118.44 3ixb h GLN 6 Ca -0.44 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 58.95 3ixb h GLN 6 Cb 1.33 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3ixb h GLN 6 CO 0.58 0.52 0.27 0.37 -1.93 0.00 0.00 178.83 178.64 3ixb h GLN 7 N 0.81 0.52 0.04 1.69 4.15 -1.99 0.16 115.11 120.50 3ixb h GLN 7 Ca 0.49 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.88 3ixb h GLN 7 Cb 0.60 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3ixb h GLN 7 CO -0.31 0.35 -0.02 0.82 -1.93 0.00 0.00 178.83 177.73 3ixb h ILE 8 N 0.54 1.18 -0.47 2.39 2.04 -1.72 -1.94 117.51 119.53 3ixb h ILE 8 Ca 0.16 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.38 3ixb h ILE 8 Cb -0.03 1.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.63 3ixb h ILE 8 CO -0.06 0.19 -0.25 -1.13 0.00 0.00 0.00 178.15 176.90 3ixb h ASN 9 N -0.38 -0.87 -0.23 1.72 -1.24 -0.90 -1.20 115.58 112.47 3ixb h ASN 9 Ca -0.01 0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.16 3ixb h ASN 9 Cb 0.35 0.45 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 3ixb h ASN 9 CO 0.01 -0.27 0.02 0.44 -1.29 0.00 0.00 177.43 176.34 3ixb h ASP 10 N -0.15 0.38 -0.67 1.15 3.32 -0.66 -0.50 116.42 119.29 3ixb h ASP 10 Ca 0.21 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3ixb h ASP 10 Cb 0.49 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3ixb h ASP 10 CO -0.56 0.57 0.12 -0.29 -1.72 0.00 0.00 179.24 177.35 3ixb h ILE 11 N 0.18 1.26 0.24 0.35 6.09 -1.17 -0.75 117.51 123.71 3ixb h ILE 11 Ca 0.07 -1.03 -0.01 0.00 -1.37 0.00 0.00 64.86 62.52 3ixb h ILE 11 Cb 0.36 0.63 0.00 0.00 0.47 0.00 0.00 36.82 38.28 3ixb h ILE 11 CO 0.01 0.39 -0.12 0.58 -3.07 0.00 0.00 178.15 175.94 3ixb h VAL 12 N 1.03 0.77 -0.59 2.19 2.07 -1.13 -2.14 116.25 118.46 3ixb h VAL 12 Ca 0.20 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 3ixb h VAL 12 Cb 0.43 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3ixb h VAL 12 CO 0.01 0.01 -0.05 0.45 0.02 0.00 0.00 177.57 178.02 3ixb h HIS 13 N -0.35 1.18 0.00 1.57 3.86 -1.00 0.10 115.15 120.51 3ixb h HIS 13 Ca -0.03 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 3ixb h HIS 13 Cb 0.27 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 3ixb h HIS 13 CO -0.05 1.05 -0.12 0.00 0.86 0.00 0.00 177.93 179.67 3ixb h ARG 14 N 0.96 0.00 0.04 2.45 3.08 -1.11 -1.91 114.38 117.89 3ixb h ARG 14 Ca 0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.94 3ixb h ARG 14 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3ixb h ARG 14 CO 0.04 0.12 -1.48 1.15 -1.07 0.00 0.00 179.97 178.73 3ixb h THR 15 N 0.00 0.83 0.08 2.04 2.02 -1.01 -3.41 112.91 113.46 3ixb h THR 15 Ca -0.00 -2.23 -0.27 0.00 0.77 0.00 0.00 66.41 64.68 3ixb h THR 15 Cb 0.25 2.30 0.03 0.00 -1.74 0.00 0.00 68.15 68.99 3ixb h THR 15 CO 0.01 0.48 -1.10 0.40 0.37 0.00 0.00 175.52 175.69 3ixb h ILE 16 N -0.69 1.31 -0.39 3.11 1.08 -0.95 -3.10 117.51 117.88 3ixb h ILE 16 Ca -0.37 -2.36 0.07 0.00 -0.39 0.00 0.00 64.86 61.81 3ixb h ILE 16 Cb 1.52 2.63 -0.09 0.00 -3.07 0.00 0.00 36.82 37.81 3ixb h ILE 16 CO -0.12 0.72 -0.41 0.74 -0.69 0.00 0.00 178.15 178.39 3ixb h THR 17 N 0.23 0.14 -0.55 -0.27 2.02 -1.55 -0.40 112.91 112.53 3ixb h THR 17 Ca -0.16 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3ixb h THR 17 Cb 1.78 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3ixb h THR 17 CO 0.21 0.00 0.16 -0.65 0.37 0.00 0.00 175.52 175.62 3ixb h PRO 18 N -0.32 0.83 -0.35 6.66 0.11 -1.78 -2.30 132.00 134.84 3ixb h PRO 18 Ca 0.14 -0.15 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3ixb h PRO 18 Cb 0.58 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 3ixb h PRO 18 CO -0.56 0.73 0.18 1.25 -0.21 0.00 0.00 178.00 179.39 3ixb h LEU 19 N 0.81 0.27 -0.71 2.35 5.85 -1.26 0.14 115.31 122.75 3ixb h LEU 19 Ca 0.18 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3ixb h LEU 19 Cb 0.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3ixb h LEU 19 CO -0.01 0.20 0.25 0.40 -0.34 0.00 0.00 178.44 178.94 3ixb h ILE 20 N 0.38 1.25 -0.03 4.05 2.04 -0.86 -0.10 117.51 124.23 3ixb h ILE 20 Ca 0.15 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 3ixb h ILE 20 Cb 0.05 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3ixb h ILE 20 CO -0.10 0.33 0.01 -0.08 0.00 0.00 0.00 178.15 178.32 3ixb h GLU 21 N 1.04 0.05 -0.66 2.37 4.57 -1.01 -0.97 114.58 119.97 3ixb h GLU 21 Ca 0.23 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.33 3ixb h GLU 21 Cb 0.26 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3ixb h GLU 21 CO -0.01 0.19 0.10 1.96 -1.18 0.00 0.00 179.01 180.07 3ixb h GLN 22 N -0.10 1.08 -0.02 1.92 4.20 -0.54 -3.10 115.11 118.56 3ixb h GLN 22 Ca 0.01 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3ixb h GLN 22 Cb 0.16 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3ixb h GLN 22 CO -0.00 0.99 -0.19 1.04 -0.67 0.00 0.00 178.83 180.01 3ixb n GLN 23 N -4.21 1.50 -3.82 1.46 1.13 -0.07 -4.97 117.38 108.41 3ixb n GLN 23 Ca 0.04 -1.09 -0.26 0.00 -1.94 0.00 0.00 57.00 53.76 3ixb n GLN 23 Cb 0.29 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.19 3ixb n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3ixb n LYS 24 N 0.20 -5.09 -2.57 -1.09 5.02 -0.41 -4.94 118.16 109.29 3ixb n LYS 24 Ca 0.14 0.59 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 3ixb n LYS 24 Cb 0.44 -5.28 -0.02 0.00 -0.02 0.00 0.00 35.03 30.15 3ixb n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ixb s ILE 25 N -3.52 4.52 0.20 -0.18 1.01 -0.95 -4.95 121.20 117.33 3ixb s ILE 25 Ca 0.31 1.82 -0.03 0.00 0.00 0.00 0.00 60.65 62.76 3ixb s ILE 25 Cb -0.16 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3ixb s ILE 25 CO 0.83 -0.08 1.54 -0.65 0.00 0.00 0.00 174.94 176.58 3ixb h PRO 26 N 7.53 0.58 -2.88 2.79 0.11 -1.88 -3.46 132.00 134.79 3ixb h PRO 26 Ca -0.27 -0.33 -0.12 0.00 0.11 0.00 0.00 66.00 65.39 3ixb h PRO 26 Cb 1.12 0.02 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 3ixb h PRO 26 CO 0.92 0.93 -0.26 0.20 -0.21 0.00 0.00 178.00 179.58 3ixb s GLY 27 N -4.08 -0.25 -0.10 -0.55 0.00 -1.19 -0.31 107.32 100.84 3ixb s GLY 27 Ca -0.08 0.81 -0.13 0.00 0.00 0.00 0.00 44.72 45.32 3ixb s GLY 27 CO 0.83 0.64 0.34 -0.29 0.00 0.00 0.00 173.10 174.63 3ixb s MET 28 N -0.37 0.49 0.00 2.90 1.75 -0.50 -2.34 119.30 121.24 3ixb s MET 28 Ca -0.05 0.29 0.06 0.00 -1.25 0.00 0.00 55.69 54.73 3ixb s MET 28 Cb -0.03 0.23 -0.02 0.00 2.84 0.00 0.00 34.83 37.85 3ixb s MET 28 CO 0.02 -0.09 -0.18 0.00 -0.65 0.00 0.00 175.02 174.12 3ixb s ALA 29 N -0.27 1.48 -0.00 4.11 0.00 0.00 -0.91 121.76 126.16 3ixb s ALA 29 Ca -0.04 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3ixb s ALA 29 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3ixb s ALA 29 CO 0.02 0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.09 3ixb s VAL 30 N -0.53 0.94 -0.06 0.00 1.01 0.41 -0.79 120.40 121.39 3ixb s VAL 30 Ca 0.06 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3ixb s VAL 30 Cb -0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 3ixb s VAL 30 CO -0.00 0.24 -0.20 0.00 0.00 0.00 0.00 175.10 175.14 3ixb s ALA 31 N -0.33 1.78 -0.13 5.51 0.00 -0.37 -1.06 121.76 127.15 3ixb s ALA 31 Ca 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3ixb s ALA 31 Cb -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3ixb s ALA 31 CO -0.00 0.30 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 3ixb s VAL 32 N 0.10 3.56 -0.27 0.00 1.01 -0.18 -1.07 120.40 123.55 3ixb s VAL 32 Ca -0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3ixb s VAL 32 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3ixb s VAL 32 CO 0.04 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.14 3ixb s ILE 33 N 0.16 4.52 -0.12 2.22 1.09 0.10 -0.56 121.20 128.60 3ixb s ILE 33 Ca -0.04 -0.21 -0.00 0.00 -1.10 0.00 0.00 60.65 59.30 3ixb s ILE 33 Cb -0.14 -3.18 0.02 0.00 -1.06 0.00 0.00 42.46 38.10 3ixb s ILE 33 CO 0.04 0.24 -0.09 -0.47 -0.10 0.00 0.00 174.94 174.56 3ixb s TYR 34 N 1.63 1.64 -1.67 3.97 5.04 -0.09 -1.22 117.35 126.64 3ixb s TYR 34 Ca 0.06 -0.85 -0.15 0.00 -2.44 0.00 0.00 57.07 53.68 3ixb s TYR 34 Cb -0.16 -1.31 0.13 0.00 0.35 0.00 0.00 41.96 40.97 3ixb s TYR 34 CO 0.05 -0.55 0.66 1.04 -1.34 0.00 0.00 175.55 175.42 3ixb n GLN 35 N 4.91 -2.76 -2.54 4.97 6.02 -1.00 -1.44 117.38 125.53 3ixb n GLN 35 Ca -0.13 0.33 -0.14 0.00 -0.01 0.00 0.00 57.00 57.05 3ixb n GLN 35 Cb 0.50 -4.88 0.01 0.00 1.02 0.00 0.00 30.24 26.90 3ixb n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixb n GLY 36 N -1.52 -0.12 3.02 1.08 0.00 -1.18 -5.04 105.19 101.43 3ixb n GLY 36 Ca -0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 3ixb n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixb s LYS 37 N -5.02 0.92 0.11 1.61 1.02 -0.52 -5.14 119.74 112.72 3ixb s LYS 37 Ca 0.11 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 3ixb s LYS 37 Cb -0.05 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.33 3ixb s LYS 37 CO 0.14 0.15 0.51 -1.25 -0.92 0.00 0.00 175.35 173.98 3ixb s PRO 38 N 0.04 3.96 -0.03 -1.68 0.04 -1.26 -0.91 135.00 135.15 3ixb s PRO 38 Ca -0.01 0.45 0.03 0.00 0.04 0.00 0.00 61.00 61.51 3ixb s PRO 38 Cb -0.07 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.46 3ixb s PRO 38 CO 0.00 0.54 -0.10 0.71 0.04 0.00 0.00 177.00 178.19 3ixb s TYR 39 N -1.37 1.06 0.05 0.56 1.51 0.27 -4.98 117.35 114.45 3ixb s TYR 39 Ca 0.34 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 56.20 3ixb s TYR 39 Cb -0.15 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 3ixb s TYR 39 CO 0.18 -0.12 -0.17 0.71 -1.11 0.00 0.00 175.55 175.05 3ixb s TYR 40 N 0.21 2.59 -0.03 2.71 2.02 -1.26 -1.01 117.35 122.58 3ixb s TYR 40 Ca -0.04 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3ixb s TYR 40 Cb -0.09 -1.45 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3ixb s TYR 40 CO 0.01 0.29 0.07 -0.06 -1.57 0.00 0.00 175.55 174.29 3ixb s PHE 41 N -0.98 -0.08 0.02 2.71 0.40 -0.23 -4.98 117.98 114.84 3ixb s PHE 41 Ca 0.16 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 3ixb s PHE 41 Cb -0.11 -0.00 -0.02 0.00 0.51 0.00 0.00 43.02 43.41 3ixb s PHE 41 CO 0.07 -0.05 -0.04 0.95 0.70 0.00 0.00 175.22 176.85 3ixb s THR 42 N 0.20 0.19 0.01 0.64 -4.23 -1.26 -0.44 115.64 110.75 3ixb s THR 42 Ca -0.01 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3ixb s THR 42 Cb -0.02 -0.29 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 3ixb s THR 42 CO -0.01 -0.37 -0.01 0.26 -0.54 0.00 0.00 174.62 173.95 3ixb s TRP 43 N -1.15 0.18 0.00 3.99 0.51 -0.09 -5.02 118.94 117.37 3ixb s TRP 43 Ca -0.11 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.49 3ixb s TRP 43 Cb -0.08 -0.14 0.00 0.00 -0.81 0.00 0.00 33.47 32.44 3ixb s TRP 43 CO -0.01 -0.15 0.00 0.41 -0.51 0.00 0.00 176.95 176.70 3ixb n GLY 44 N 1.96 0.63 3.37 0.98 0.00 -1.26 -1.41 105.19 109.47 3ixb n GLY 44 Ca -0.21 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 3ixb n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ixb s TYR 45 N 0.00 2.74 0.14 1.61 1.51 0.57 -0.96 117.35 122.97 3ixb s TYR 45 Ca 0.00 -0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 55.47 3ixb s TYR 45 Cb 0.00 -1.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.00 3ixb s TYR 45 CO 0.00 -0.15 1.32 0.00 -1.11 0.00 0.00 175.55 175.61 3ixb h ALA 46 N 6.40 0.42 -2.73 3.71 0.00 -0.99 -3.16 119.26 122.91 3ixb h ALA 46 Ca -0.29 -0.75 -0.37 0.00 0.00 0.00 0.00 54.91 53.50 3ixb h ALA 46 Cb 1.20 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 18.56 3ixb h ALA 46 CO 0.53 0.91 -0.67 0.34 0.00 0.00 0.00 179.25 180.36 3ixb s ASP 47 N -6.99 1.76 0.03 0.00 -1.08 -1.09 -0.62 116.67 108.68 3ixb s ASP 47 Ca -0.04 -0.38 -0.23 0.00 -0.52 0.00 0.00 52.55 51.38 3ixb s ASP 47 Cb 0.09 0.14 -0.16 0.00 -1.46 0.00 0.00 42.92 41.53 3ixb s ASP 47 CO 0.85 -0.34 1.41 0.40 0.52 0.00 0.00 175.17 178.01 3ixb h ILE 48 N 6.35 1.29 -0.68 4.11 2.04 -1.85 -0.68 117.51 128.09 3ixb h ILE 48 Ca -0.16 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 3ixb h ILE 48 Cb 1.15 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 3ixb h ILE 48 CO 0.29 0.25 0.34 0.00 0.00 0.00 0.00 178.15 179.03 3ixb h ALA 49 N 0.67 0.88 -0.03 1.87 0.00 -1.97 -2.31 119.26 118.36 3ixb h ALA 49 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ixb h ALA 49 Cb 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ixb h ALA 49 CO 0.01 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.32 3ixb n LYS 50 N -4.47 1.70 -3.63 0.00 5.02 -1.23 -4.95 118.16 110.59 3ixb n LYS 50 Ca 0.05 -1.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.07 3ixb n LYS 50 Cb 0.12 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 3ixb n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ixb n LYS 51 N 0.23 -6.72 -3.24 1.97 5.02 -0.39 -4.97 118.16 110.06 3ixb n LYS 51 Ca 0.19 0.75 -0.39 0.00 -2.02 0.00 0.00 58.31 56.84 3ixb n LYS 51 Cb 0.36 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.58 3ixb n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3ixb s GLN 52 N -6.34 4.29 0.56 1.97 -1.52 -0.48 -4.99 119.66 113.15 3ixb s GLN 52 Ca 0.58 0.50 -0.15 0.00 -1.95 0.00 0.00 55.36 54.34 3ixb s GLN 52 Cb -0.27 -3.50 -0.06 0.00 -0.22 0.00 0.00 33.01 28.97 3ixb s GLN 52 CO 0.71 -0.00 1.01 -1.25 -0.25 0.00 0.00 175.29 175.51 3ixb s PRO 53 N 1.13 3.71 0.12 2.91 0.04 -1.26 -0.56 135.00 141.10 3ixb s PRO 53 Ca 0.27 0.98 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 3ixb s PRO 53 Cb -0.16 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3ixb s PRO 53 CO 0.11 -0.47 1.52 0.08 0.04 0.00 0.00 177.00 178.28 3ixb s VAL 54 N -2.69 2.96 0.41 -0.36 1.01 -0.13 -4.17 120.40 117.42 3ixb s VAL 54 Ca 0.59 0.64 0.04 0.00 0.00 0.00 0.00 61.98 63.25 3ixb s VAL 54 Cb -0.12 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3ixb s VAL 54 CO 0.37 0.04 0.06 0.42 0.00 0.00 0.00 175.10 175.99 3ixb s THR 55 N 1.46 1.13 -0.63 3.92 -4.23 -1.26 -4.67 115.64 111.36 3ixb s THR 55 Ca 0.69 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.36 3ixb s THR 55 Cb -0.40 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.05 3ixb s THR 55 CO 0.31 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.88 3ixb n GLN 56 N -0.93 0.10 -0.09 3.99 6.02 -1.26 -1.88 117.38 123.32 3ixb n GLN 56 Ca -0.08 0.46 0.09 0.00 -0.01 0.00 0.00 57.00 57.46 3ixb n GLN 56 Cb 0.66 -1.74 0.13 0.00 1.02 0.00 0.00 30.24 30.31 3ixb n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ixb n GLN 57 N -1.93 1.85 -2.12 -1.09 1.13 -1.26 -3.73 117.38 110.23 3ixb n GLN 57 Ca 0.01 -1.79 -0.42 0.00 -1.94 0.00 0.00 57.00 52.86 3ixb n GLN 57 Cb 0.11 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 3ixb n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3ixb s THR 58 N -1.28 3.05 -0.12 5.09 2.01 -0.79 -4.86 115.64 118.75 3ixb s THR 58 Ca 0.25 0.81 -0.20 0.00 0.31 0.00 0.00 61.69 62.86 3ixb s THR 58 Cb 0.16 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3ixb s THR 58 CO 0.22 0.09 0.57 -0.76 -0.69 0.00 0.00 174.62 174.06 3ixb s LEU 59 N 0.44 4.26 0.07 4.42 1.43 0.97 -4.07 118.68 126.19 3ixb s LEU 59 Ca 0.62 0.93 0.07 0.00 -1.03 0.00 0.00 54.13 54.72 3ixb s LEU 59 Cb -0.39 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 3ixb s LEU 59 CO 0.35 -0.09 -0.15 -0.36 0.23 0.00 0.00 176.35 176.34 3ixb s PHE 60 N 0.94 2.64 -0.04 0.29 0.40 -0.27 -1.43 117.98 120.51 3ixb s PHE 60 Ca 0.30 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 3ixb s PHE 60 Cb -0.16 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 3ixb s PHE 60 CO 0.13 0.34 1.39 -1.21 0.70 0.00 0.00 175.22 176.56 3ixb s GLU 61 N -1.76 4.27 0.26 0.44 2.02 -1.26 -1.61 118.70 121.05 3ixb s GLU 61 Ca 0.17 1.91 0.25 0.00 0.02 0.00 0.00 54.97 57.33 3ixb s GLU 61 Cb -0.11 -3.65 0.68 0.00 0.10 0.00 0.00 34.13 31.15 3ixb s GLU 61 CO 0.09 -0.61 1.71 -0.07 0.02 0.00 0.00 175.26 176.39 3ixb h LEU 62 N 8.76 0.00 0.00 1.80 3.38 -1.45 -3.44 115.31 124.37 3ixb h LEU 62 Ca -0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ixb h LEU 62 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ixb h LEU 62 CO 0.92 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.06 3ixb n GLY 63 N 1.26 2.66 0.00 0.83 0.00 -1.25 -1.88 105.19 106.81 3ixb n GLY 63 Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3ixb n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ixb n SER 64 N 1.26 0.00 0.32 1.61 7.64 -1.26 -0.68 113.62 122.50 3ixb n SER 64 Ca 0.00 0.16 0.21 0.00 1.01 0.00 0.00 58.87 60.25 3ixb n SER 64 Cb 0.00 -0.30 1.06 0.00 -1.01 0.00 0.00 64.21 63.96 3ixb n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ixb h VAL 65 N 0.00 0.08 -0.57 0.44 2.07 -1.44 -0.43 116.25 116.40 3ixb h VAL 65 Ca 0.00 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.51 3ixb h VAL 65 Cb 0.10 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3ixb h VAL 65 CO 0.00 0.01 0.40 0.28 0.02 0.00 0.00 177.57 178.28 3ixb h SER 66 N 0.00 0.20 -0.09 0.57 0.02 -1.08 -1.37 113.55 111.79 3ixb h SER 66 Ca -0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3ixb h SER 66 Cb 0.12 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3ixb h SER 66 CO 0.00 0.11 0.09 0.11 -1.14 0.00 0.00 176.83 176.00 3ixb h LYS 67 N 0.22 0.00 -0.22 3.45 1.57 -1.22 -0.99 116.57 119.38 3ixb h LYS 67 Ca 0.27 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3ixb h LYS 67 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3ixb h LYS 67 CO -0.05 0.00 -0.41 1.79 -0.57 0.00 0.00 179.45 180.21 3ixb h THR 68 N 0.00 1.30 -0.37 -0.16 1.35 -1.41 -0.01 112.91 113.61 3ixb h THR 68 Ca 0.04 -1.57 -0.09 0.00 -0.55 0.00 0.00 66.41 64.24 3ixb h THR 68 Cb 0.21 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3ixb h THR 68 CO -0.00 0.49 -0.10 -0.26 -0.25 0.00 0.00 175.52 175.40 3ixb h PHE 69 N 0.43 0.81 -0.49 4.73 0.04 -1.31 -1.63 116.94 119.52 3ixb h PHE 69 Ca 0.04 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 3ixb h PHE 69 Cb 0.90 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3ixb h PHE 69 CO 0.03 0.88 0.21 1.15 -0.60 0.00 0.00 178.31 179.98 3ixb h THR 70 N 0.52 1.20 -0.37 -1.55 2.02 -1.26 0.67 112.91 114.13 3ixb h THR 70 Ca 0.09 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.68 3ixb h THR 70 Cb 0.62 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3ixb h THR 70 CO 0.04 0.23 0.20 1.23 0.37 0.00 0.00 175.52 177.59 3ixb h GLY 71 N 0.65 0.51 0.93 2.16 0.00 -0.88 -0.06 103.07 106.38 3ixb h GLY 71 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3ixb h GLY 71 CO -0.02 0.12 0.11 -2.08 0.00 0.00 0.00 176.54 174.68 3ixb h VAL 72 N 0.41 1.22 -0.63 4.60 2.07 -1.07 -0.07 116.25 122.77 3ixb h VAL 72 Ca 0.15 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.01 3ixb h VAL 72 Cb 0.03 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3ixb h VAL 72 CO -0.09 0.25 0.35 0.25 0.02 0.00 0.00 177.57 178.35 3ixb h LEU 73 N 0.47 0.51 -0.40 2.57 5.85 -0.62 0.12 115.31 123.82 3ixb h LEU 73 Ca 0.12 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ixb h LEU 73 Cb 0.27 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3ixb h LEU 73 CO -0.00 0.34 0.22 1.23 -0.34 0.00 0.00 178.44 179.88 3ixb h GLY 74 N 0.65 0.55 0.86 3.75 0.00 -0.88 -1.48 103.07 106.52 3ixb h GLY 74 Ca 0.28 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.49 3ixb h GLY 74 CO -0.17 0.13 0.65 -1.33 0.00 0.00 0.00 176.54 175.82 3ixb h GLY 75 N 0.45 1.46 1.26 4.60 0.00 -0.21 -0.68 103.07 109.95 3ixb h GLY 75 Ca 0.16 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 3ixb h GLY 75 CO -0.09 0.40 -0.05 -1.80 0.00 0.00 0.00 176.54 175.00 3ixb h ASP 76 N 1.23 0.86 -0.55 0.19 3.58 -0.39 -1.03 116.42 120.31 3ixb h ASP 76 Ca 0.40 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 3ixb h ASP 76 Cb 0.05 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 3ixb h ASP 76 CO -0.14 0.95 0.03 0.00 -2.88 0.00 0.00 179.24 177.20 3ixb h ALA 77 N 1.14 0.95 0.03 -0.78 0.00 -0.36 -0.49 119.26 119.75 3ixb h ALA 77 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ixb h ALA 77 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ixb h ALA 77 CO 0.03 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.73 3ixb h ILE 78 N 0.92 1.06 -0.08 0.00 2.04 -0.85 -1.35 117.51 119.24 3ixb h ILE 78 Ca 0.17 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3ixb h ILE 78 Cb 0.50 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3ixb h ILE 78 CO 0.02 0.07 0.04 0.00 0.00 0.00 0.00 178.15 178.28 3ixb h ALA 79 N 0.80 1.91 0.00 1.87 0.00 -0.94 0.36 119.26 123.26 3ixb h ALA 79 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ixb h ALA 79 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ixb h ALA 79 CO 0.01 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.88 3ixb n ARG 80 N -4.51 0.10 -1.03 0.00 1.74 -0.22 -4.90 116.66 107.85 3ixb n ARG 80 Ca -0.02 0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 57.29 3ixb n ARG 80 Cb 0.10 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3ixb n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ixb n GLY 81 N 0.54 0.48 0.11 -0.13 0.00 0.11 -4.94 105.19 101.36 3ixb n GLY 81 Ca 0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 3ixb n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ixb h GLU 82 N 0.25 0.26 -4.38 1.61 5.08 -1.44 -3.47 114.58 112.48 3ixb h GLU 82 Ca -0.02 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 3ixb h GLU 82 Cb 0.08 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.35 3ixb h GLU 82 CO 0.03 1.16 -0.67 0.96 -1.00 0.00 0.00 179.01 179.48 3ixb s ILE 83 N -2.63 0.30 -0.00 3.13 -4.36 -1.20 -4.83 121.20 111.60 3ixb s ILE 83 Ca -0.06 -1.86 0.05 0.00 -0.26 0.00 0.00 60.65 58.51 3ixb s ILE 83 Cb 0.07 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 42.06 3ixb s ILE 83 CO 0.87 -0.82 -0.17 -0.54 0.24 0.00 0.00 174.94 174.52 3ixb s LYS 84 N -3.94 1.31 0.53 0.37 1.02 -1.26 -4.24 119.74 113.54 3ixb s LYS 84 Ca 0.13 -0.65 0.31 0.00 0.02 0.00 0.00 55.97 55.78 3ixb s LYS 84 Cb 0.07 -1.29 1.42 0.00 -0.52 0.00 0.00 37.83 37.52 3ixb s LYS 84 CO -0.06 0.35 2.02 -0.07 -0.92 0.00 0.00 175.35 176.67 3ixb h LEU 85 N 5.55 0.00 0.00 3.17 3.38 -1.99 -2.03 115.31 123.40 3ixb h LEU 85 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ixb h LEU 85 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ixb h LEU 85 CO 0.47 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.55 3ixb n SER 86 N -3.29 0.00 -4.77 -0.43 3.41 -1.26 -1.29 113.62 105.99 3ixb n SER 86 Ca -0.01 0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.32 3ixb n SER 86 Cb 0.29 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 3ixb n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ixb s ASP 87 N -2.73 7.22 0.41 4.04 1.01 -0.76 -4.84 116.67 121.02 3ixb s ASP 87 Ca 0.23 1.99 -0.26 0.00 0.71 0.00 0.00 52.55 55.21 3ixb s ASP 87 Cb 0.19 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.43 3ixb s ASP 87 CO 0.47 -0.16 1.33 -2.65 0.21 0.00 0.00 175.17 174.38 3ixb n PRO 88 N 0.65 2.12 -0.32 8.23 -0.02 -1.26 -1.62 135.00 142.78 3ixb n PRO 88 Ca 0.02 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 3ixb n PRO 88 Cb 0.48 -2.46 0.29 0.00 -0.02 0.00 0.00 33.50 31.80 3ixb n PRO 88 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ixb h THR 89 N 2.32 0.64 0.00 3.45 2.02 -1.40 -1.27 112.91 118.67 3ixb h THR 89 Ca -0.48 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3ixb h THR 89 Cb 1.28 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3ixb h THR 89 CO 0.61 0.11 0.00 0.71 0.37 0.00 0.00 175.52 177.32 3ixb h THR 90 N 0.61 0.00 -0.27 3.16 1.35 -1.81 -1.71 112.91 114.23 3ixb h THR 90 Ca 0.54 -0.20 0.01 0.00 -0.55 0.00 0.00 66.41 66.20 3ixb h THR 90 Cb 0.88 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3ixb h THR 90 CO -0.42 0.00 0.18 0.50 -0.25 0.00 0.00 175.52 175.53 3ixb h LYS 91 N 0.00 0.34 -0.01 4.72 3.64 -1.59 -2.66 116.57 121.01 3ixb h LYS 91 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ixb h LYS 91 Cb 0.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3ixb h LYS 91 CO 0.00 0.22 -0.44 0.66 -2.27 0.00 0.00 179.45 177.62 3ixb n TYR 92 N -4.50 0.00 -3.23 1.91 4.02 -0.68 -4.65 117.16 110.03 3ixb n TYR 92 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.68 3ixb n TYR 92 Cb 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.33 3ixb n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3ixb n TRP 93 N -0.67 -1.25 0.30 -0.72 -0.00 -0.96 -5.00 117.44 109.15 3ixb n TRP 93 Ca 0.04 -3.07 0.19 0.00 -0.00 0.00 0.00 57.50 54.67 3ixb n TRP 93 Cb 0.26 0.31 0.92 0.00 -0.00 0.00 0.00 31.31 32.80 3ixb n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3ixb h PRO 94 N 5.02 0.00 0.00 5.87 0.13 -1.74 -1.04 132.00 140.24 3ixb h PRO 94 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ixb h PRO 94 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3ixb h PRO 94 CO 0.35 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.07 3ixb h GLU 95 N 0.00 0.00 -5.91 0.86 3.07 -1.94 -3.36 114.58 107.30 3ixb h GLU 95 Ca -0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 3ixb h GLU 95 Cb 0.27 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.10 3ixb h GLU 95 CO 0.00 0.00 2.07 -1.17 -1.40 0.00 0.00 179.01 178.51 3ixb s LEU 96 N -5.26 3.77 0.02 1.33 2.96 -0.39 -4.76 118.68 116.35 3ixb s LEU 96 Ca 0.01 -2.26 0.23 0.00 -0.22 0.00 0.00 54.13 51.89 3ixb s LEU 96 Cb 0.09 -2.58 0.07 0.00 0.50 0.00 0.00 46.19 44.27 3ixb s LEU 96 CO 0.40 -1.24 1.07 0.35 -1.32 0.00 0.00 176.35 175.61 3ixb n THR 97 N 6.50 0.08 -1.90 3.68 -2.24 -1.26 -4.84 114.28 114.29 3ixb n THR 97 Ca 0.46 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.70 3ixb n THR 97 Cb 0.47 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 3ixb n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ixb s ALA 98 N -3.10 3.58 0.49 6.98 0.00 -1.26 -4.89 121.76 123.56 3ixb s ALA 98 Ca 0.06 1.47 0.34 0.00 0.00 0.00 0.00 51.96 53.84 3ixb s ALA 98 Cb 0.16 -3.58 1.84 0.00 0.00 0.00 0.00 23.12 21.54 3ixb s ALA 98 CO 0.80 -0.91 2.20 1.57 0.00 0.00 0.00 175.76 179.41 3ixb h LYS 99 N 3.54 0.00 0.00 0.00 2.10 -1.93 -2.32 116.57 117.96 3ixb h LYS 99 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3ixb h LYS 99 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3ixb h LYS 99 CO 0.68 0.04 0.00 -0.56 -2.00 0.00 0.00 179.45 177.61 3ixb h GLN 100 N 0.00 0.00 0.00 0.07 -0.00 -1.93 -2.39 115.11 110.86 3ixb h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ixb h GLN 100 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 3ixb h GLN 100 CO 0.01 0.00 -0.00 0.91 -0.00 0.00 0.00 178.83 179.74 3ixb n TRP 101 N -2.32 0.60 -1.68 0.06 7.02 -0.87 -4.74 117.44 115.50 3ixb n TRP 101 Ca 0.01 0.17 -0.42 0.00 -1.02 0.00 0.00 57.50 56.25 3ixb n TRP 101 Cb 0.20 -0.78 -0.03 0.00 -2.42 0.00 0.00 31.31 28.27 3ixb n TRP 101 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3ixb s ASN 102 N -3.99 6.43 0.00 -0.99 0.02 -0.90 -1.41 114.94 114.09 3ixb s ASN 102 Ca 0.12 2.74 0.00 0.00 -1.02 0.00 0.00 52.86 54.69 3ixb s ASN 102 Cb 0.15 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.87 3ixb s ASN 102 CO 0.57 -1.03 0.00 0.61 0.02 0.00 0.00 177.10 177.27 3ixb n GLY 103 N 4.38 0.92 3.58 0.66 0.00 -1.26 -5.00 105.19 108.47 3ixb n GLY 103 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3ixb n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixb s ILE 104 N -2.59 4.94 0.41 -0.61 1.01 -0.50 -4.88 121.20 118.97 3ixb s ILE 104 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.35 3ixb s ILE 104 Cb 0.00 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 3ixb s ILE 104 CO 0.00 -0.22 0.49 0.42 0.00 0.00 0.00 174.94 175.63 3ixb s THR 105 N 2.59 3.04 0.45 2.92 -4.23 -1.26 -1.14 115.64 118.02 3ixb s THR 105 Ca 0.23 -1.11 0.12 0.00 -1.18 0.00 0.00 61.69 59.75 3ixb s THR 105 Cb -0.15 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 70.93 3ixb s THR 105 CO 0.13 -0.03 2.05 -0.07 -0.54 0.00 0.00 174.62 176.17 3ixb h LEU 106 N 0.80 0.29 -0.24 4.79 3.38 -1.27 -1.72 115.31 121.35 3ixb h LEU 106 Ca -0.41 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.59 3ixb h LEU 106 Cb 1.27 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3ixb h LEU 106 CO 0.50 0.20 0.01 0.25 0.09 0.00 0.00 178.44 179.49 3ixb h LEU 107 N 0.34 -0.07 -0.70 1.67 5.85 -1.48 -0.06 115.31 120.86 3ixb h LEU 107 Ca 0.16 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3ixb h LEU 107 Cb 0.20 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3ixb h LEU 107 CO -0.04 -0.01 0.46 0.45 -0.34 0.00 0.00 178.44 178.97 3ixb h HIS 108 N 0.09 0.88 -0.41 1.25 3.86 -1.61 -1.88 115.15 117.33 3ixb h HIS 108 Ca 0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3ixb h HIS 108 Cb 0.14 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3ixb h HIS 108 CO -0.19 0.55 0.20 -0.07 0.86 0.00 0.00 177.93 179.28 3ixb h LEU 109 N 0.95 0.54 -1.94 2.43 3.38 -1.06 -1.02 115.31 118.58 3ixb h LEU 109 Ca 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ixb h LEU 109 Cb -0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ixb h LEU 109 CO -0.06 0.52 -0.11 0.00 0.09 0.00 0.00 178.44 178.88 3ixb h ALA 110 N 1.04 1.46 -0.07 1.53 0.00 -0.56 -2.78 119.26 119.87 3ixb h ALA 110 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ixb h ALA 110 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ixb h ALA 110 CO -0.02 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.62 3ixb n THR 111 N -3.89 1.19 -1.99 0.00 -2.24 -0.75 -4.48 114.28 102.12 3ixb n THR 111 Ca -0.02 -1.22 -0.13 0.00 -2.27 0.00 0.00 64.05 60.40 3ixb n THR 111 Cb 0.21 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 3ixb n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ixb n TYR 112 N -0.47 -0.44 -1.08 4.78 4.01 -0.84 -4.84 117.16 118.28 3ixb n TYR 112 Ca 0.05 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 3ixb n TYR 112 Cb 0.36 -2.72 0.22 0.00 -0.31 0.00 0.00 39.34 36.90 3ixb n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ixb n THR 113 N -3.60 2.23 0.40 -0.72 -2.24 -0.45 -1.50 114.28 108.41 3ixb n THR 113 Ca -0.15 -2.11 0.13 0.00 -2.27 0.00 0.00 64.05 59.65 3ixb n THR 113 Cb 0.56 -0.26 0.51 0.00 -2.10 0.00 0.00 70.33 69.04 3ixb n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ixb h ALA 114 N 1.27 1.00 0.00 6.98 0.00 -1.80 0.95 119.26 127.66 3ixb h ALA 114 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ixb h ALA 114 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3ixb h ALA 114 CO 0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3ixb n GLY 115 N 0.21 1.81 0.07 0.00 0.00 -1.26 -4.18 105.19 101.84 3ixb n GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ixb n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixb n GLY 116 N -0.06 1.53 3.73 -0.02 0.00 -1.26 -2.36 105.19 106.75 3ixb n GLY 116 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3ixb n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ixb n LEU 117 N -0.01 4.38 -4.84 0.99 4.77 -1.26 -4.82 117.00 116.21 3ixb n LEU 117 Ca 0.00 1.16 -0.32 0.00 -0.03 0.00 0.00 56.01 56.82 3ixb n LEU 117 Cb 0.02 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.53 3ixb n LEU 117 CO 0.00 -0.29 0.68 -2.16 -1.33 0.00 0.00 177.39 174.29 3ixb s PRO 118 N -2.17 3.89 0.24 3.23 0.04 -1.26 -4.75 135.00 134.21 3ixb s PRO 118 Ca 0.58 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 3ixb s PRO 118 Cb -0.50 -2.12 0.42 0.00 0.04 0.00 0.00 34.50 32.34 3ixb s PRO 118 CO 0.60 -0.32 1.67 1.25 0.04 0.00 0.00 177.00 180.24 3ixb h LEU 119 N 0.89 -0.14 -8.82 -3.56 5.85 -1.91 -3.24 115.31 104.39 3ixb h LEU 119 Ca -0.47 0.16 -0.69 0.00 0.84 0.00 0.00 57.88 57.72 3ixb h LEU 119 Cb 1.19 0.25 -0.25 0.00 0.37 0.00 0.00 40.66 42.21 3ixb h LEU 119 CO 0.61 -0.09 -0.80 -1.10 -0.34 0.00 0.00 178.44 176.72 3ixb s GLN 120 N -6.08 2.40 0.04 1.25 -0.21 -1.26 -0.95 119.66 114.84 3ixb s GLN 120 Ca -0.13 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3ixb s GLN 120 Cb 0.21 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 3ixb s GLN 120 CO 0.75 0.60 1.07 0.08 -2.12 0.00 0.00 175.29 175.68 3ixb s VAL 121 N -0.69 4.46 0.45 1.09 1.01 -1.26 -4.85 120.40 120.61 3ixb s VAL 121 Ca 0.11 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 3ixb s VAL 121 Cb -0.10 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 3ixb s VAL 121 CO 0.00 0.15 1.28 -2.65 0.00 0.00 0.00 175.10 173.89 3ixb n PRO 122 N 3.79 1.89 -0.29 2.72 -0.02 -1.26 -4.87 135.00 136.96 3ixb n PRO 122 Ca 0.07 0.68 0.23 0.00 -2.02 0.00 0.00 63.50 62.46 3ixb n PRO 122 Cb 0.49 -2.42 0.55 0.00 -0.02 0.00 0.00 33.50 32.10 3ixb n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ixb h ASP 123 N 1.96 0.35 1.04 2.55 3.32 -2.00 -0.93 116.42 122.71 3ixb h ASP 123 Ca -0.48 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3ixb h ASP 123 Cb 1.30 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3ixb h ASP 123 CO 0.59 0.09 0.00 1.05 -1.72 0.00 0.00 179.24 179.26 3ixb h GLU 124 N 0.33 0.00 -6.33 3.56 9.09 -2.03 -3.42 114.58 115.78 3ixb h GLU 124 Ca 0.54 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.37 3ixb h GLU 124 Cb 1.50 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.52 3ixb h GLU 124 CO -0.21 0.00 0.73 0.08 0.05 0.00 0.00 179.01 179.66 3ixb s VAL 125 N -3.64 4.43 0.04 -1.06 1.01 -0.36 -4.81 120.40 116.01 3ixb s VAL 125 Ca 0.02 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.14 3ixb s VAL 125 Cb 0.09 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3ixb s VAL 125 CO 0.54 -0.76 0.00 0.29 0.00 0.00 0.00 175.10 175.17 3ixb n LYS 126 N 7.23 0.00 -2.05 2.72 5.02 -1.26 -4.24 118.16 125.57 3ixb n LYS 126 Ca 0.09 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.10 3ixb n LYS 126 Cb 0.48 -0.28 0.06 0.00 -0.02 0.00 0.00 35.03 35.28 3ixb n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ixb s SER 127 N -5.11 5.05 0.33 4.39 1.04 -1.26 -4.85 113.70 113.28 3ixb s SER 127 Ca 0.00 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.25 3ixb s SER 127 Cb 0.00 -1.51 0.56 0.00 0.10 0.00 0.00 66.02 65.17 3ixb s SER 127 CO 0.00 -1.52 1.91 0.77 0.98 0.00 0.00 173.24 175.38 3ixb h SER 128 N -0.68 0.66 -0.53 7.02 4.64 -1.99 -0.58 113.55 122.09 3ixb h SER 128 Ca -0.45 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 60.67 3ixb h SER 128 Cb 1.29 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3ixb h SER 128 CO 0.63 0.61 -0.12 0.77 -0.87 0.00 0.00 176.83 177.85 3ixb h SER 129 N 0.72 1.03 -0.82 4.97 4.64 -2.00 -1.63 113.55 120.46 3ixb h SER 129 Ca 0.17 -0.34 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3ixb h SER 129 Cb 0.16 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 3ixb h SER 129 CO -0.01 1.14 0.51 0.44 -0.87 0.00 0.00 176.83 178.03 3ixb h ASP 130 N 0.91 0.97 -0.28 4.97 3.32 -1.78 -2.10 116.42 122.43 3ixb h ASP 130 Ca 0.14 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3ixb h ASP 130 Cb 0.68 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3ixb h ASP 130 CO 0.05 0.74 -0.01 0.25 -1.72 0.00 0.00 179.24 178.55 3ixb h LEU 131 N 1.12 0.50 -0.34 1.55 5.85 -0.95 -1.10 115.31 121.94 3ixb h LEU 131 Ca 0.30 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ixb h LEU 131 Cb -0.06 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3ixb h LEU 131 CO -0.06 0.70 0.08 0.25 -0.34 0.00 0.00 178.44 179.07 3ixb h LEU 132 N 0.29 0.03 -0.71 2.25 5.85 -1.16 -2.17 115.31 119.69 3ixb h LEU 132 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3ixb h LEU 132 Cb 0.45 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3ixb h LEU 132 CO 0.02 0.05 0.46 -0.09 -0.34 0.00 0.00 178.44 178.54 3ixb h ARG 133 N 0.20 0.94 -0.07 1.25 2.43 -1.14 0.31 114.38 118.29 3ixb h ARG 133 Ca 0.16 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3ixb h ARG 133 Cb 0.17 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3ixb h ARG 133 CO -0.20 0.64 -0.05 0.35 -1.51 0.00 0.00 179.97 179.19 3ixb h PHE 134 N 0.96 -0.12 -0.21 2.20 3.57 -0.95 -1.24 116.94 121.16 3ixb h PHE 134 Ca 0.26 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.63 3ixb h PHE 134 Cb -0.09 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3ixb h PHE 134 CO -0.02 -0.08 -0.46 1.88 -2.23 0.00 0.00 178.31 177.40 3ixb h TYR 135 N -0.05 0.66 -0.75 0.41 0.05 -1.10 -1.97 116.97 114.22 3ixb h TYR 135 Ca 0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 3ixb h TYR 135 Cb 0.12 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 3ixb h TYR 135 CO -0.16 0.91 0.42 1.96 -1.05 0.00 0.00 178.16 180.24 3ixb h GLN 136 N 0.44 1.04 0.00 4.88 1.08 -0.79 -3.08 115.11 118.68 3ixb h GLN 136 Ca 0.03 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3ixb h GLN 136 Cb 0.97 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.19 3ixb h GLN 136 CO 0.09 0.75 -0.22 -0.91 -0.95 0.00 0.00 178.83 177.59 3ixb h ASN 137 N 1.05 0.00 -2.66 1.46 -0.26 -1.02 -3.46 115.58 110.69 3ixb h ASN 137 Ca 0.27 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.49 3ixb h ASN 137 Cb 0.01 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.33 3ixb h ASN 137 CO -0.04 0.04 1.02 0.86 -1.06 0.00 0.00 177.43 178.24 3ixb s TRP 138 N -3.22 2.83 -0.31 1.19 -0.00 -0.76 -4.99 118.94 113.69 3ixb s TRP 138 Ca 0.05 0.32 -0.05 0.00 -0.00 0.00 0.00 56.10 56.43 3ixb s TRP 138 Cb 0.06 -4.13 0.04 0.00 -0.00 0.00 0.00 33.47 29.43 3ixb s TRP 138 CO 0.70 -4.33 0.05 -0.65 -0.00 0.00 0.00 176.95 172.71 3ixb s GLN 139 N 1.34 2.68 0.30 5.86 -1.52 -1.26 -4.97 119.66 122.09 3ixb s GLN 139 Ca 0.75 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 52.75 3ixb s GLN 139 Cb -0.49 -3.30 -0.10 0.00 -0.22 0.00 0.00 33.01 28.90 3ixb s GLN 139 CO 0.32 -0.58 1.33 -1.25 -0.25 0.00 0.00 175.29 174.87 3ixb s PRO 140 N 1.37 4.34 0.36 2.91 0.04 -1.26 -4.90 135.00 137.86 3ixb s PRO 140 Ca -0.02 2.21 0.21 0.00 0.04 0.00 0.00 61.00 63.44 3ixb s PRO 140 Cb -0.19 -3.09 0.22 0.00 0.04 0.00 0.00 34.50 31.48 3ixb s PRO 140 CO 0.01 -0.23 1.49 0.00 0.04 0.00 0.00 177.00 178.30 3ixb h ALA 141 N 3.88 0.86 -2.55 8.56 0.00 -1.79 -3.47 119.26 124.75 3ixb h ALA 141 Ca -0.48 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 53.92 3ixb h ALA 141 Cb 1.22 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 3ixb h ALA 141 CO 0.69 0.19 -0.74 -1.58 0.00 0.00 0.00 179.25 177.81 3ixb s TRP 142 N -3.15 1.34 0.69 0.00 0.51 -1.17 -5.08 118.94 112.07 3ixb s TRP 142 Ca 0.05 -0.64 -0.15 0.00 -2.12 0.00 0.00 56.10 53.24 3ixb s TRP 142 Cb 0.06 -0.69 0.02 0.00 -0.81 0.00 0.00 33.47 32.05 3ixb s TRP 142 CO 0.71 0.13 1.15 0.00 -0.51 0.00 0.00 176.95 178.43 3ixb s ALA 143 N -2.71 2.31 0.47 0.98 0.00 -1.26 -4.45 121.76 117.10 3ixb s ALA 143 Ca 0.13 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 3ixb s ALA 143 Cb -0.01 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3ixb s ALA 143 CO 0.02 -1.54 1.38 -2.30 0.00 0.00 0.00 175.76 173.32 3ixb n PRO 144 N -2.54 2.04 -2.25 0.00 -0.02 -1.26 -3.31 135.00 127.66 3ixb n PRO 144 Ca 0.12 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 62.22 3ixb n PRO 144 Cb 0.51 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3ixb n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixb n GLY 145 N 0.67 -0.07 0.00 -1.23 0.00 0.33 -4.91 105.19 99.98 3ixb n GLY 145 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 3ixb n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixb n THR 146 N -4.00 0.05 -4.03 2.61 -2.24 -1.21 -4.85 114.28 100.61 3ixb n THR 146 Ca -0.12 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3ixb n THR 146 Cb 0.60 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 3ixb n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ixb s GLN 147 N -2.02 0.35 -0.21 -0.78 -0.21 -1.26 -1.92 119.66 113.61 3ixb s GLN 147 Ca -0.01 -0.46 -0.10 0.00 0.02 0.00 0.00 55.36 54.82 3ixb s GLN 147 Cb 0.00 -0.16 -0.05 0.00 1.00 0.00 0.00 33.01 33.81 3ixb s GLN 147 CO 0.03 0.03 0.14 0.50 -2.12 0.00 0.00 175.29 173.86 3ixb s ARG 148 N -0.94 4.14 -0.23 2.91 3.52 0.10 -4.32 118.95 124.13 3ixb s ARG 148 Ca -0.07 -0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3ixb s ARG 148 Cb -0.06 -3.45 0.07 0.00 -1.56 0.00 0.00 34.95 29.95 3ixb s ARG 148 CO -0.00 0.22 0.04 -1.17 -0.81 0.00 0.00 175.30 173.58 3ixb s LEU 149 N 0.58 1.62 0.09 -0.88 2.96 -0.56 -1.71 118.68 120.78 3ixb s LEU 149 Ca 0.08 -1.08 -0.36 0.00 -0.22 0.00 0.00 54.13 52.55 3ixb s LEU 149 Cb -0.12 -0.74 -0.15 0.00 0.50 0.00 0.00 46.19 45.68 3ixb s LEU 149 CO 0.00 -0.33 1.49 0.00 -1.32 0.00 0.00 176.35 176.20 3ixb n TYR 150 N 4.95 1.91 -3.65 5.38 4.19 -1.26 -4.79 117.16 123.89 3ixb n TYR 150 Ca -0.08 0.44 -0.06 0.00 3.31 0.00 0.00 57.90 61.52 3ixb n TYR 150 Cb 0.45 -2.45 -0.07 0.00 0.49 0.00 0.00 39.34 37.77 3ixb n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3ixb s ALA 151 N 1.01 -1.75 0.27 2.98 0.00 -1.26 -4.20 121.76 118.81 3ixb s ALA 151 Ca 0.83 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.97 3ixb s ALA 151 Cb -0.83 -1.47 0.38 0.00 0.00 0.00 0.00 23.12 21.20 3ixb s ALA 151 CO 0.44 -0.59 1.75 -0.91 0.00 0.00 0.00 175.76 176.44 3ixb h ASN 152 N 7.49 0.62 0.69 0.00 2.35 -1.20 -2.73 115.58 122.80 3ixb h ASN 152 Ca -0.25 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3ixb h ASN 152 Cb 1.17 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 3ixb h ASN 152 CO 0.15 0.77 -0.00 0.77 -1.65 0.00 0.00 177.43 177.47 3ixb h SER 153 N 0.58 0.00 0.00 5.81 4.64 -1.64 0.91 113.55 123.85 3ixb h SER 153 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ixb h SER 153 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3ixb h SER 153 CO 0.03 0.00 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.60 3ixb h SER 154 N 0.00 0.00 0.44 4.97 0.87 -1.74 -3.27 113.55 114.82 3ixb h SER 154 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3ixb h SER 154 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3ixb h SER 154 CO 0.00 0.28 -0.38 -0.29 -0.53 0.00 0.00 176.83 175.92 3ixb h ILE 155 N -0.44 1.19 -0.69 2.23 2.10 -1.24 -1.86 117.51 118.80 3ixb h ILE 155 Ca 0.00 -1.32 -0.02 0.00 1.08 0.00 0.00 64.86 64.60 3ixb h ILE 155 Cb 0.12 1.72 -0.03 0.00 -1.09 0.00 0.00 36.82 37.55 3ixb h ILE 155 CO 0.00 0.37 0.36 1.23 -1.08 0.00 0.00 178.15 179.03 3ixb h GLY 156 N 1.25 1.05 1.13 8.18 0.00 -1.02 -0.29 103.07 113.36 3ixb h GLY 156 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 3ixb h GLY 156 CO 0.05 0.47 -0.22 -2.00 0.00 0.00 0.00 176.54 174.84 3ixb h LEU 157 N 0.96 1.02 -0.48 3.11 5.85 -1.51 -1.79 115.31 122.47 3ixb h LEU 157 Ca 0.24 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.66 3ixb h LEU 157 Cb 0.07 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 3ixb h LEU 157 CO -0.04 1.19 0.04 0.15 -0.34 0.00 0.00 178.44 179.44 3ixb h PHE 158 N 0.86 0.04 -0.51 1.25 3.57 -1.01 -0.10 116.94 121.04 3ixb h PHE 158 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ixb h PHE 158 Cb 0.80 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3ixb h PHE 158 CO 0.05 -0.07 0.26 0.78 -2.23 0.00 0.00 178.31 177.10 3ixb h GLY 159 N 0.16 0.78 0.91 2.40 0.00 -0.77 0.25 103.07 106.80 3ixb h GLY 159 Ca 0.24 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3ixb h GLY 159 CO -0.37 0.36 0.21 0.00 0.00 0.00 0.00 176.54 176.74 3ixb h ALA 160 N 1.10 0.46 -0.03 3.60 0.00 -0.82 -3.04 119.26 120.52 3ixb h ALA 160 Ca 0.18 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3ixb h ALA 160 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ixb h ALA 160 CO -0.02 -0.14 -0.76 -0.07 0.00 0.00 0.00 179.25 178.26 3ixb h LEU 161 N 0.43 0.27 -1.72 0.00 3.38 -0.78 -3.24 115.31 113.66 3ixb h LEU 161 Ca 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3ixb h LEU 161 Cb 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ixb h LEU 161 CO -0.07 0.93 -0.14 0.00 0.09 0.00 0.00 178.44 179.25 3ixb h ALA 162 N 1.06 1.76 -0.02 1.53 0.00 -0.83 -1.93 119.26 120.83 3ixb h ALA 162 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ixb h ALA 162 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ixb h ALA 162 CO 0.12 0.18 -0.18 1.33 0.00 0.00 0.00 179.25 180.70 3ixb n VAL 163 N -4.36 0.00 -0.11 0.00 0.24 -1.20 -4.47 118.33 108.43 3ixb n VAL 163 Ca -0.03 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 61.94 3ixb n VAL 163 Cb 0.21 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3ixb n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3ixb h LYS 164 N 2.39 0.42 0.00 7.34 1.57 -1.42 -2.42 116.57 124.45 3ixb h LYS 164 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ixb h LYS 164 Cb 0.64 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ixb h LYS 164 CO 0.00 0.28 -0.04 -1.35 -0.57 0.00 0.00 179.45 177.77 3ixb h PRO 165 N 0.44 0.00 0.00 3.15 0.11 -1.78 -2.69 132.00 131.22 3ixb h PRO 165 Ca 0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3ixb h PRO 165 Cb -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3ixb h PRO 165 CO -0.06 0.04 -0.22 0.66 -0.21 0.00 0.00 178.00 178.21 3ixb h SER 166 N 0.00 0.00 0.00 -2.05 4.64 -1.72 -3.46 113.55 110.95 3ixb h SER 166 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ixb h SER 166 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3ixb h SER 166 CO 0.01 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3ixb n GLY 167 N -0.29 2.89 3.84 -0.77 0.00 -1.02 -5.03 105.19 104.81 3ixb n GLY 167 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3ixb n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixb s LEU 168 N 0.00 3.83 0.82 0.99 1.43 -1.26 -5.05 118.68 119.44 3ixb s LEU 168 Ca 0.00 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 3ixb s LEU 168 Cb 0.00 -4.44 0.09 0.00 0.03 0.00 0.00 46.19 41.87 3ixb s LEU 168 CO 0.00 -0.43 1.14 -0.94 0.23 0.00 0.00 176.35 176.35 3ixb s SER 169 N -2.59 3.77 0.17 2.29 1.04 -1.26 -4.77 113.70 112.35 3ixb s SER 169 Ca 0.59 2.11 -0.14 0.00 0.48 0.00 0.00 55.95 58.99 3ixb s SER 169 Cb -0.10 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.60 3ixb s SER 169 CO 0.22 -2.54 1.73 0.15 0.98 0.00 0.00 173.24 173.78 3ixb h PHE 170 N -1.22 0.20 -0.26 5.02 3.57 -1.94 0.17 116.94 122.47 3ixb h PHE 170 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3ixb h PHE 170 Cb 1.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 3ixb h PHE 170 CO 0.52 0.04 0.17 1.49 -2.23 0.00 0.00 178.31 178.30 3ixb h GLU 171 N 0.26 0.35 -0.71 1.11 4.81 -1.98 -0.32 114.58 118.10 3ixb h GLU 171 Ca 0.21 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3ixb h GLU 171 Cb 0.25 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3ixb h GLU 171 CO -0.26 0.24 0.27 0.37 -0.73 0.00 0.00 179.01 178.90 3ixb h GLN 172 N 0.35 1.05 -0.44 1.92 5.75 -1.85 0.07 115.11 121.97 3ixb h GLN 172 Ca 0.10 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3ixb h GLN 172 Cb -0.03 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 3ixb h GLN 172 CO -0.02 0.86 0.18 0.00 -2.65 0.00 0.00 178.83 177.20 3ixb h ALA 173 N 1.27 0.57 -0.62 3.38 0.00 -0.71 -0.16 119.26 122.99 3ixb h ALA 173 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ixb h ALA 173 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ixb h ALA 173 CO -0.02 0.18 0.29 1.98 0.00 0.00 0.00 179.25 181.68 3ixb h MET 174 N 0.57 0.89 0.15 0.00 1.85 -0.61 -0.32 114.93 117.46 3ixb h MET 174 Ca 0.15 -0.13 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3ixb h MET 174 Cb 0.19 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.06 3ixb h MET 174 CO -0.01 0.72 -0.07 1.96 -0.40 0.00 0.00 176.91 179.11 3ixb h GLN 175 N 0.85 -0.19 0.00 0.39 4.20 -0.81 -0.46 115.11 119.08 3ixb h GLN 175 Ca 0.21 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 3ixb h GLN 175 Cb 0.13 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3ixb h GLN 175 CO -0.03 0.05 -0.68 1.79 -0.67 0.00 0.00 178.83 179.30 3ixb h THR 176 N -0.43 1.31 0.00 -0.54 1.35 -0.95 -0.25 112.91 113.40 3ixb h THR 176 Ca -0.02 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 3ixb h THR 176 Cb 0.34 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3ixb h THR 176 CO 0.03 0.66 -1.67 0.54 -0.25 0.00 0.00 175.52 174.84 3ixb n ARG 177 N -3.47 0.65 0.07 4.72 1.74 -0.14 -4.42 116.66 115.80 3ixb n ARG 177 Ca 0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3ixb n ARG 177 Cb 0.73 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3ixb n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ixb n VAL 178 N -2.01 0.85 0.14 1.55 0.31 -0.67 -4.77 118.33 113.72 3ixb n VAL 178 Ca -0.02 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 3ixb n VAL 178 Cb 0.43 -1.30 -0.08 0.00 -0.91 0.00 0.00 33.84 31.98 3ixb n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3ixb h PHE 179 N 0.00 -0.27 -0.10 3.52 0.04 -1.11 -2.91 116.94 116.11 3ixb h PHE 179 Ca 0.00 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ixb h PHE 179 Cb 0.05 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 3ixb h PHE 179 CO 0.00 -0.10 0.05 1.96 -0.60 0.00 0.00 178.31 179.63 3ixb h GLN 180 N -0.38 0.15 0.00 1.51 4.20 -1.27 -0.33 115.11 118.98 3ixb h GLN 180 Ca -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3ixb h GLN 180 Cb 0.29 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3ixb h GLN 180 CO 0.05 0.20 -0.04 -1.35 -0.67 0.00 0.00 178.83 177.01 3ixb h PRO 181 N 0.06 0.00 -0.23 1.46 0.11 -1.77 -1.64 132.00 129.99 3ixb h PRO 181 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3ixb h PRO 181 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3ixb h PRO 181 CO -0.01 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.11 3ixb n LEU 182 N -4.40 2.44 -3.42 2.35 4.77 -1.06 -4.94 117.00 112.74 3ixb n LEU 182 Ca -0.03 -1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 54.70 3ixb n LEU 182 Cb 0.13 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3ixb n LEU 182 CO 0.34 0.50 0.09 0.29 -1.33 0.00 0.00 177.39 177.28 3ixb n LYS 183 N 0.84 -5.79 -2.90 3.23 5.02 -0.62 -4.91 118.16 113.04 3ixb n LYS 183 Ca 0.17 0.77 -0.44 0.00 -2.02 0.00 0.00 58.31 56.79 3ixb n LYS 183 Cb 0.46 -5.68 -0.00 0.00 -0.02 0.00 0.00 35.03 29.78 3ixb n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ixb s LEU 184 N -6.98 4.90 0.00 -0.35 1.43 -0.20 -4.78 118.68 112.70 3ixb s LEU 184 Ca 0.48 -2.81 0.27 0.00 -1.03 0.00 0.00 54.13 51.04 3ixb s LEU 184 Cb -0.22 -2.42 0.79 0.00 0.03 0.00 0.00 46.19 44.37 3ixb s LEU 184 CO 0.59 -0.84 1.60 0.59 0.23 0.00 0.00 176.35 178.52 3ixb n ASN 185 N 6.09 1.95 -2.50 2.29 3.02 -1.26 -3.87 115.26 120.98 3ixb n ASN 185 Ca 0.37 -1.65 -0.14 0.00 -0.03 0.00 0.00 54.58 53.12 3ixb n ASN 185 Cb 0.44 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.63 3ixb n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ixb n HIS 186 N 0.53 2.09 -4.64 3.10 8.25 -1.26 -5.02 115.22 118.26 3ixb n HIS 186 Ca 0.18 -2.51 -0.26 0.00 -0.26 0.00 0.00 57.72 54.87 3ixb n HIS 186 Cb 0.43 -0.26 -0.17 0.00 1.12 0.00 0.00 29.99 31.11 3ixb n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ixb s THR 187 N -4.23 1.26 -0.02 1.59 2.01 -1.25 -3.42 115.64 111.59 3ixb s THR 187 Ca 0.38 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 3ixb s THR 187 Cb 0.39 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.76 3ixb s THR 187 CO -0.03 0.38 0.05 0.26 -0.69 0.00 0.00 174.62 174.59 3ixb s TRP 188 N 0.67 -0.03 -0.04 4.92 0.52 0.22 -4.98 118.94 120.22 3ixb s TRP 188 Ca -0.14 0.09 -0.08 0.00 0.02 0.00 0.00 56.10 55.99 3ixb s TRP 188 Cb -0.16 0.00 -0.29 0.00 -1.15 0.00 0.00 33.47 31.87 3ixb s TRP 188 CO 0.04 -0.05 0.69 0.82 0.02 0.00 0.00 176.95 178.47 3ixb h ILE 189 N 5.01 0.96 -3.08 2.03 2.04 -1.86 0.22 117.51 122.83 3ixb h ILE 189 Ca -0.25 -2.58 -0.65 0.00 1.00 0.00 0.00 64.86 62.38 3ixb h ILE 189 Cb 1.21 2.73 -0.35 0.00 -0.74 0.00 0.00 36.82 39.66 3ixb h ILE 189 CO 0.47 0.84 -0.85 0.20 0.00 0.00 0.00 178.15 178.80 3ixb s ASN 190 N -7.15 3.01 -0.14 1.72 0.01 -1.26 -4.76 114.94 106.37 3ixb s ASN 190 Ca -0.14 -0.60 -0.29 0.00 -0.71 0.00 0.00 52.86 51.11 3ixb s ASN 190 Cb 0.06 -1.40 -0.02 0.00 0.41 0.00 0.00 41.25 40.30 3ixb s ASN 190 CO 0.85 -0.01 1.32 -0.69 -1.51 0.00 0.00 177.10 177.05 3ixb s VAL 191 N 1.32 4.16 0.58 1.60 1.01 -1.26 -4.99 120.40 122.82 3ixb s VAL 191 Ca 0.04 1.42 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 3ixb s VAL 191 Cb -0.13 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3ixb s VAL 191 CO -0.12 -0.11 1.17 -2.84 0.00 0.00 0.00 175.10 173.20 3ixb s PRO 192 N 3.47 3.12 0.46 2.72 0.02 -1.26 -4.88 135.00 138.64 3ixb s PRO 192 Ca 0.58 1.73 0.23 0.00 0.02 0.00 0.00 61.00 63.56 3ixb s PRO 192 Cb -0.24 -1.96 1.24 0.00 0.02 0.00 0.00 34.50 33.57 3ixb s PRO 192 CO 0.17 -1.07 1.85 -1.35 -0.33 0.00 0.00 177.00 176.28 3ixb h PRO 193 N 0.98 0.24 0.00 5.54 0.11 -2.01 0.11 132.00 136.97 3ixb h PRO 193 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3ixb h PRO 193 Cb 1.28 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ixb h PRO 193 CO 0.56 0.16 -0.07 0.00 -0.21 0.00 0.00 178.00 178.44 3ixb h ALA 194 N 1.58 1.24 -0.02 -0.75 0.00 -2.03 -2.81 119.26 116.48 3ixb h ALA 194 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ixb h ALA 194 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3ixb h ALA 194 CO -0.13 0.09 -0.17 0.39 0.00 0.00 0.00 179.25 179.43 3ixb n GLU 195 N -3.52 1.60 0.09 0.00 -0.58 0.37 -4.53 120.64 114.07 3ixb n GLU 195 Ca -0.02 -1.29 0.09 0.00 -0.42 0.00 0.00 57.16 55.52 3ixb n GLU 195 Cb 0.20 -1.35 0.55 0.00 -0.57 0.00 0.00 31.44 30.27 3ixb n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3ixb h GLU 196 N 2.95 0.24 -0.35 3.49 5.08 -1.28 -0.15 114.58 124.55 3ixb h GLU 196 Ca 0.00 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3ixb h GLU 196 Cb 0.71 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ixb h GLU 196 CO 0.00 0.16 0.33 1.57 -1.00 0.00 0.00 179.01 180.07 3ixb h LYS 197 N 0.25 0.00 -0.01 2.33 2.10 -1.80 -1.77 116.57 117.66 3ixb h LYS 197 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3ixb h LYS 197 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3ixb h LYS 197 CO -0.02 0.00 -0.60 0.09 -2.00 0.00 0.00 179.45 176.91 3ixb n ASN 198 N -3.95 1.75 -4.58 7.07 3.02 -0.07 -4.90 115.26 113.59 3ixb n ASN 198 Ca 0.06 -1.37 -0.42 0.00 -0.03 0.00 0.00 54.58 52.81 3ixb n ASN 198 Cb 0.50 0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 40.26 3ixb n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ixb s TYR 199 N -2.57 2.63 0.56 3.10 5.04 -0.67 -0.02 117.35 125.41 3ixb s TYR 199 Ca 0.15 0.39 -0.21 0.00 -2.44 0.00 0.00 57.07 54.97 3ixb s TYR 199 Cb 0.17 -4.48 -0.05 0.00 0.35 0.00 0.00 41.96 37.95 3ixb s TYR 199 CO 0.64 -1.56 1.17 0.00 -1.34 0.00 0.00 175.55 174.45 3ixb n ALA 200 N 8.35 0.86 -1.86 3.97 0.00 -0.51 -4.94 120.51 126.39 3ixb n ALA 200 Ca 0.08 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 3ixb n ALA 200 Cb 0.49 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 3ixb n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ixb s TRP 201 N -1.37 3.58 0.44 0.00 0.52 0.21 -4.92 118.94 117.40 3ixb s TRP 201 Ca 0.73 1.65 -0.06 0.00 0.02 0.00 0.00 56.10 58.44 3ixb s TRP 201 Cb -0.43 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 3ixb s TRP 201 CO 0.49 0.15 0.74 0.20 0.02 0.00 0.00 176.95 178.55 3ixb s GLY 202 N -1.78 1.62 -0.13 0.98 0.00 -0.01 -4.82 107.32 103.17 3ixb s GLY 202 Ca 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.77 3ixb s GLY 202 CO 0.21 -0.31 -0.12 -0.19 0.00 0.00 0.00 173.10 172.68 3ixb s TYR 203 N -2.56 1.89 -0.11 1.90 2.02 -0.61 -0.01 117.35 119.88 3ixb s TYR 203 Ca 0.47 -1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3ixb s TYR 203 Cb -0.10 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 3ixb s TYR 203 CO 0.40 -0.60 -0.02 0.50 -1.57 0.00 0.00 175.55 174.26 3ixb s ARG 204 N 1.53 0.94 -1.47 -0.62 3.52 -0.56 -4.36 118.95 117.93 3ixb s ARG 204 Ca 0.04 -0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.41 3ixb s ARG 204 Cb -0.13 -1.39 0.06 0.00 -1.56 0.00 0.00 34.95 31.93 3ixb s ARG 204 CO -0.09 -0.35 1.00 0.39 -0.81 0.00 0.00 175.30 175.43 3ixb n GLU 205 N 5.05 -5.96 -0.88 5.12 -0.58 -1.26 -1.87 120.64 120.26 3ixb n GLU 205 Ca -0.09 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 3ixb n GLU 205 Cb 0.49 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 3ixb n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ixb n GLY 206 N -1.73 1.19 3.59 0.62 0.00 -1.26 -5.01 105.19 102.59 3ixb n GLY 206 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3ixb n GLY 206 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ixb s LYS 207 N -0.02 3.08 -0.05 1.61 2.20 -0.78 -5.07 119.74 120.70 3ixb s LYS 207 Ca 0.00 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3ixb s LYS 207 Cb 0.00 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 3ixb s LYS 207 CO 0.00 0.56 1.41 0.00 -0.36 0.00 0.00 175.35 176.97 3ixb s ALA 208 N -0.52 3.60 0.02 3.13 0.00 -1.26 -1.49 121.76 125.24 3ixb s ALA 208 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3ixb s ALA 208 Cb -0.12 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3ixb s ALA 208 CO 0.02 -1.06 -0.03 0.14 0.00 0.00 0.00 175.76 174.83 3ixb s VAL 209 N 2.94 0.17 0.23 0.00 -7.23 0.99 -4.93 120.40 112.56 3ixb s VAL 209 Ca 0.64 -0.85 0.11 0.00 -1.81 0.00 0.00 61.98 60.06 3ixb s VAL 209 Cb -0.29 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 3ixb s VAL 209 CO 0.24 -0.44 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.39 3ixb s HIS 210 N -1.32 2.20 0.30 2.82 3.76 -1.26 -0.83 115.29 120.97 3ixb s HIS 210 Ca -0.14 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.10 3ixb s HIS 210 Cb -0.09 -1.02 -0.11 0.00 1.11 0.00 0.00 32.58 32.46 3ixb s HIS 210 CO -0.01 0.57 1.58 0.54 -0.85 0.00 0.00 174.74 176.57 3ixb s VAL 211 N -2.18 2.07 0.33 -0.90 0.11 -1.26 -4.99 120.40 113.58 3ixb s VAL 211 Ca 0.24 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.20 3ixb s VAL 211 Cb -0.06 -3.04 -0.09 0.00 -1.53 0.00 0.00 36.38 31.66 3ixb s VAL 211 CO 0.12 0.01 0.76 -0.44 -3.33 0.00 0.00 175.10 172.21 3ixb s SER 212 N 0.41 6.80 0.42 3.54 0.01 -1.26 -5.04 113.70 118.58 3ixb s SER 212 Ca 0.62 1.33 -0.26 0.00 1.31 0.00 0.00 55.95 58.94 3ixb s SER 212 Cb -0.48 -2.39 -0.10 0.00 0.21 0.00 0.00 66.02 63.27 3ixb s SER 212 CO 0.50 -0.21 1.34 -2.65 0.41 0.00 0.00 173.24 172.63 3ixb n PRO 213 N -0.35 2.12 -3.79 12.44 -0.02 -1.26 -5.04 135.00 139.09 3ixb n PRO 213 Ca 0.04 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3ixb n PRO 213 Cb 0.53 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3ixb n PRO 213 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ixb s GLY 214 N -0.45 0.00 0.20 -1.23 0.00 -1.26 -5.07 107.32 99.52 3ixb s GLY 214 Ca 0.60 -0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.63 3ixb s GLY 214 CO 0.59 -0.65 1.56 0.00 0.00 0.00 0.00 173.10 174.59 3ixb h ALA 215 N 2.62 -0.12 -0.66 3.20 0.00 -1.89 -1.91 119.26 120.49 3ixb h ALA 215 Ca -0.34 0.19 -0.45 0.00 0.00 0.00 0.00 54.91 54.31 3ixb h ALA 215 Cb 1.22 1.06 -0.30 0.00 0.00 0.00 0.00 17.79 19.77 3ixb h ALA 215 CO 0.53 -0.75 -0.28 1.28 0.00 0.00 0.00 179.25 180.02 3ixb n LEU 216 N -5.41 5.16 -0.27 0.00 4.77 -1.26 -4.76 117.00 115.24 3ixb n LEU 216 Ca 0.06 -4.38 -0.05 0.00 -0.03 0.00 0.00 56.01 51.61 3ixb n LEU 216 Cb 0.36 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3ixb n LEU 216 CO -0.10 1.74 1.18 -2.24 -1.33 0.00 0.00 177.39 176.64 3ixb h ASP 217 N 1.79 0.86 -0.87 -1.43 3.04 -1.76 -1.35 116.42 116.70 3ixb h ASP 217 Ca 0.36 -0.03 0.09 0.00 -3.24 0.00 0.00 57.03 54.22 3ixb h ASP 217 Cb 1.39 -0.21 -0.06 0.00 -1.04 0.00 0.00 39.33 39.41 3ixb h ASP 217 CO 0.79 0.63 0.56 0.00 -2.04 0.00 0.00 179.24 179.18 3ixb h ALA 218 N 1.27 1.66 0.00 4.15 0.00 -1.86 0.26 119.26 124.75 3ixb h ALA 218 Ca 0.27 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 3ixb h ALA 218 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3ixb h ALA 218 CO -0.06 0.16 -1.39 0.87 0.00 0.00 0.00 179.25 178.84 3ixb h LYS 219 N 0.85 0.00 0.00 0.00 6.56 -1.74 -3.39 116.57 118.85 3ixb h LYS 219 Ca 0.40 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.74 3ixb h LYS 219 Cb 0.41 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.02 3ixb h LYS 219 CO -0.17 0.51 -1.95 0.00 -2.06 0.00 0.00 179.45 175.79 3ixb n ALA 220 N -2.44 1.66 -1.91 3.86 0.00 -0.57 -4.46 120.51 116.64 3ixb n ALA 220 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3ixb n ALA 220 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.36 3ixb n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3ixb n TYR 221 N -2.57 0.00 -0.35 0.00 0.18 -0.31 -4.10 117.16 110.02 3ixb n TYR 221 Ca -0.23 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.65 3ixb n TYR 221 Cb 0.93 0.21 0.30 0.00 -0.38 0.00 0.00 39.34 40.40 3ixb n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3ixb n GLY 222 N 0.00 2.56 3.79 -7.48 0.00 0.78 -3.79 105.19 101.05 3ixb n GLY 222 Ca 0.00 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3ixb n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixb s VAL 223 N -1.02 4.52 -0.02 1.61 1.01 -1.26 -4.49 120.40 120.75 3ixb s VAL 223 Ca 0.45 1.47 0.08 0.00 0.00 0.00 0.00 61.98 63.98 3ixb s VAL 223 Cb 0.24 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3ixb s VAL 223 CO 0.31 0.47 -0.25 -0.54 0.00 0.00 0.00 175.10 175.09 3ixb s LYS 224 N -1.30 2.03 0.20 2.72 3.01 0.76 -1.19 119.74 125.97 3ixb s LYS 224 Ca 0.35 -0.89 -0.13 0.00 -1.01 0.00 0.00 55.97 54.29 3ixb s LYS 224 Cb -0.21 -1.95 0.01 0.00 -1.01 0.00 0.00 37.83 34.67 3ixb s LYS 224 CO 0.23 0.53 0.43 0.45 0.51 0.00 0.00 175.35 177.50 3ixb s SER 225 N -0.57 -0.11 0.39 2.83 0.15 -0.63 -0.61 113.70 115.15 3ixb s SER 225 Ca 0.09 -0.75 0.05 0.00 0.70 0.00 0.00 55.95 56.04 3ixb s SER 225 Cb -0.10 0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3ixb s SER 225 CO -0.01 -1.03 0.56 0.42 1.20 0.00 0.00 173.24 174.38 3ixb s THR 226 N -3.95 3.84 0.38 6.45 -4.23 -1.22 -1.12 115.64 115.80 3ixb s THR 226 Ca 0.16 -0.84 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 3ixb s THR 226 Cb 0.00 -3.36 0.15 0.00 1.34 0.00 0.00 72.50 70.63 3ixb s THR 226 CO 0.02 -0.18 1.90 -0.29 -0.54 0.00 0.00 174.62 175.53 3ixb h ILE 227 N 0.67 1.19 -0.26 2.99 6.09 -1.72 -1.08 117.51 125.39 3ixb h ILE 227 Ca -0.45 -0.86 -0.08 0.00 -1.37 0.00 0.00 64.86 62.10 3ixb h ILE 227 Cb 1.26 1.28 -0.01 0.00 0.47 0.00 0.00 36.82 39.83 3ixb h ILE 227 CO 0.53 0.26 -0.14 -0.33 -3.07 0.00 0.00 178.15 175.40 3ixb h GLU 228 N 0.20 0.56 -0.20 2.19 5.08 -1.94 -1.39 114.58 119.08 3ixb h GLU 228 Ca 0.04 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 3ixb h GLU 228 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3ixb h GLU 228 CO 0.03 0.82 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.09 3ixb h ASP 229 N 0.28 0.41 0.30 1.42 5.19 -1.83 -1.97 116.42 120.23 3ixb h ASP 229 Ca 0.06 -0.15 -0.13 0.00 -0.62 0.00 0.00 57.03 56.18 3ixb h ASP 229 Cb 0.66 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 3ixb h ASP 229 CO 0.04 0.72 -0.52 0.24 -3.12 0.00 0.00 179.24 176.60 3ixb h MET 230 N 0.35 0.25 -0.76 3.56 2.86 -1.14 0.94 114.93 120.98 3ixb h MET 230 Ca 0.04 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3ixb h MET 230 Cb 0.74 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 3ixb h MET 230 CO 0.06 0.71 0.33 0.00 1.06 0.00 0.00 176.91 179.06 3ixb h ALA 231 N 1.27 0.98 -0.63 6.32 0.00 -0.92 -0.98 119.26 125.29 3ixb h ALA 231 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3ixb h ALA 231 Cb 0.98 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3ixb h ALA 231 CO 0.08 0.58 0.11 0.00 0.00 0.00 0.00 179.25 180.02 3ixb h ARG 232 N 1.08 1.03 -0.45 0.00 3.08 -0.67 -0.56 114.38 117.88 3ixb h ARG 232 Ca 0.25 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3ixb h ARG 232 Cb 0.18 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3ixb h ARG 232 CO -0.03 0.94 0.25 2.35 -1.07 0.00 0.00 179.97 182.42 3ixb h TRP 233 N 0.97 0.47 -0.22 3.04 -0.00 -0.52 -0.45 115.95 119.24 3ixb h TRP 233 Ca 0.20 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.10 3ixb h TRP 233 Cb 0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.41 3ixb h TRP 233 CO 0.03 0.25 0.13 0.28 -0.00 0.00 0.00 178.44 179.13 3ixb h VAL 234 N 0.50 1.09 -0.97 2.65 2.07 -0.84 -1.67 116.25 119.09 3ixb h VAL 234 Ca 0.19 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3ixb h VAL 234 Cb 0.05 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3ixb h VAL 234 CO -0.11 0.09 0.61 1.56 0.02 0.00 0.00 177.57 179.75 3ixb h GLN 235 N 0.26 1.05 -0.52 1.57 4.20 -0.77 0.34 115.11 121.24 3ixb h GLN 235 Ca 0.08 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3ixb h GLN 235 Cb 0.03 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3ixb h GLN 235 CO -0.01 0.69 -0.06 0.77 -0.67 0.00 0.00 178.83 179.55 3ixb h SER 236 N 1.08 0.91 1.39 1.46 0.02 -0.81 -1.71 113.55 115.88 3ixb h SER 236 Ca 0.44 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 3ixb h SER 236 Cb 0.25 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3ixb h SER 236 CO -0.20 1.00 -0.42 0.78 -1.14 0.00 0.00 176.83 176.85 3ixb h ASN 237 N 0.84 0.00 -0.00 3.07 2.35 -0.78 -2.83 115.58 118.22 3ixb h ASN 237 Ca 0.14 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 3ixb h ASN 237 Cb 0.58 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 3ixb h ASN 237 CO 0.04 0.42 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.52 3ixb h LEU 238 N 0.00 0.71 -5.91 1.61 3.38 -0.66 -3.39 115.31 111.05 3ixb h LEU 238 Ca -0.00 -0.42 -0.56 0.00 0.09 0.00 0.00 57.88 56.99 3ixb h LEU 238 Cb 1.23 -0.21 -0.41 0.00 0.09 0.00 0.00 40.66 41.37 3ixb h LEU 238 CO 0.05 1.17 -0.92 0.29 0.09 0.00 0.00 178.44 179.13 3ixb n LYS 239 N -3.93 1.70 0.08 1.13 4.76 -0.67 -4.83 118.16 116.40 3ixb n LYS 239 Ca -0.04 -3.93 0.00 0.00 -2.87 0.00 0.00 58.31 51.47 3ixb n LYS 239 Cb 0.66 -1.78 0.31 0.00 -1.84 0.00 0.00 35.03 32.38 3ixb n LYS 239 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3ixb h PRO 240 N 3.61 0.32 0.00 1.97 0.13 -1.71 -2.44 132.00 133.88 3ixb h PRO 240 Ca 0.12 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3ixb h PRO 240 Cb 0.78 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3ixb h PRO 240 CO 0.63 0.51 0.00 1.28 -0.23 0.00 0.00 178.00 180.19 3ixb n LEU 241 N -4.20 0.00 -0.54 1.56 4.32 -1.26 -1.48 117.00 115.40 3ixb n LEU 241 Ca -0.00 0.01 0.12 0.00 -0.02 0.00 0.00 56.01 56.11 3ixb n LEU 241 Cb 0.33 -0.01 0.09 0.00 -1.62 0.00 0.00 43.42 42.22 3ixb n LEU 241 CO 0.40 -0.00 0.44 0.47 -1.22 0.00 0.00 177.39 177.47 3ixb n ASP 242 N -1.01 2.04 -4.73 -1.43 8.00 -0.92 -4.91 116.55 113.60 3ixb n ASP 242 Ca 0.16 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.74 3ixb n ASP 242 Cb 0.08 0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 3ixb n ASP 242 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ixb s ILE 243 N -2.38 4.29 0.16 0.53 1.01 -0.55 -4.98 121.20 119.29 3ixb s ILE 243 Ca 0.22 1.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.72 3ixb s ILE 243 Cb 0.19 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 3ixb s ILE 243 CO 0.51 0.29 1.41 0.78 0.00 0.00 0.00 174.94 177.93 3ixb h ASN 244 N 5.55 0.64 -3.08 3.58 2.35 -1.91 -3.43 115.58 119.28 3ixb h ASN 244 Ca -0.43 -0.40 -0.57 0.00 -0.55 0.00 0.00 56.30 54.35 3ixb h ASN 244 Cb 1.21 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 3ixb h ASN 244 CO 0.73 1.15 1.02 -1.61 -1.65 0.00 0.00 177.43 177.07 3ixb s GLU 245 N -3.73 3.82 0.21 0.81 8.01 -1.26 -4.91 118.70 121.65 3ixb s GLU 245 Ca -0.07 1.28 -0.09 0.00 0.01 0.00 0.00 54.97 56.10 3ixb s GLU 245 Cb 0.10 -3.94 0.16 0.00 -4.31 0.00 0.00 34.13 26.14 3ixb s GLU 245 CO 0.86 -1.25 1.83 0.87 0.01 0.00 0.00 175.26 177.58 3ixb h LYS 246 N 9.89 1.08 -0.02 1.61 1.57 -2.00 -1.33 116.57 127.37 3ixb h LYS 246 Ca -0.28 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.25 3ixb h LYS 246 Cb 1.11 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 3ixb h LYS 246 CO 1.04 0.80 -0.55 1.79 -0.57 0.00 0.00 179.45 181.96 3ixb h THR 247 N 1.07 1.39 -0.21 -0.16 1.35 -1.91 -2.21 112.91 112.22 3ixb h THR 247 Ca 0.27 -1.88 -0.16 0.00 -0.55 0.00 0.00 66.41 64.09 3ixb h THR 247 Cb 0.04 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3ixb h THR 247 CO -0.04 0.54 -0.51 0.25 -0.25 0.00 0.00 175.52 175.51 3ixb h LEU 248 N 0.04 0.82 -0.43 3.87 5.85 -1.80 0.14 115.31 123.79 3ixb h LEU 248 Ca -0.00 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.23 3ixb h LEU 248 Cb 0.98 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3ixb h LEU 248 CO 0.07 1.23 0.01 -0.61 -0.34 0.00 0.00 178.44 178.81 3ixb h GLN 249 N 0.44 0.12 -0.27 1.25 4.15 -1.21 -0.07 115.11 119.52 3ixb h GLN 249 Ca -0.00 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 3ixb h GLN 249 Cb 1.12 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 3ixb h GLN 249 CO 0.11 0.08 -0.49 1.96 -1.93 0.00 0.00 178.83 178.57 3ixb h GLN 250 N 0.13 0.74 -0.78 1.69 1.08 -1.28 -2.48 115.11 114.21 3ixb h GLN 250 Ca 0.21 -0.44 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 3ixb h GLN 250 Cb 0.31 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 3ixb h GLN 250 CO -0.35 1.06 0.51 0.78 -0.95 0.00 0.00 178.83 179.88 3ixb h GLY 251 N 0.89 1.11 0.93 3.46 0.00 -0.17 0.59 103.07 109.89 3ixb h GLY 251 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3ixb h GLY 251 CO 0.10 0.37 0.14 -2.22 0.00 0.00 0.00 176.54 174.93 3ixb h ILE 252 N 1.02 1.16 -0.82 2.60 2.04 -0.96 -1.42 117.51 121.14 3ixb h ILE 252 Ca 0.30 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3ixb h ILE 252 Cb -0.07 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3ixb h ILE 252 CO -0.08 0.17 0.51 1.56 0.00 0.00 0.00 178.15 180.31 3ixb h GLN 253 N 0.37 0.93 -0.19 2.37 1.08 -0.92 -2.27 115.11 116.48 3ixb h GLN 253 Ca 0.11 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 3ixb h GLN 253 Cb 0.14 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3ixb h GLN 253 CO -0.01 0.61 -0.28 -0.07 -0.95 0.00 0.00 178.83 178.13 3ixb h LEU 254 N 0.96 0.36 -1.39 1.46 3.38 -0.63 -2.60 115.31 116.85 3ixb h LEU 254 Ca 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3ixb h LEU 254 Cb 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ixb h LEU 254 CO -0.15 0.64 -0.08 0.00 0.09 0.00 0.00 178.44 178.94 3ixb h ALA 255 N 1.39 1.02 -0.51 1.53 0.00 -0.67 -2.64 119.26 119.38 3ixb h ALA 255 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ixb h ALA 255 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ixb h ALA 255 CO 0.05 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.44 3ixb n GLN 256 N -3.22 2.57 -2.28 0.00 6.02 -1.00 -0.88 117.38 118.58 3ixb n GLN 256 Ca 0.00 -2.39 -0.35 0.00 -0.01 0.00 0.00 57.00 54.25 3ixb n GLN 256 Cb 0.34 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 3ixb n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3ixb s SER 257 N -1.31 5.79 -0.39 1.08 0.01 -0.99 -3.93 113.70 113.96 3ixb s SER 257 Ca 0.42 2.13 -0.17 0.00 1.31 0.00 0.00 55.95 59.65 3ixb s SER 257 Cb 0.24 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3ixb s SER 257 CO 0.32 -1.17 0.43 -0.13 0.41 0.00 0.00 173.24 173.10 3ixb s ARG 258 N -3.31 3.30 -0.18 12.44 0.52 0.17 -3.96 118.95 127.92 3ixb s ARG 258 Ca 0.72 -0.58 0.12 0.00 -0.52 0.00 0.00 55.73 55.47 3ixb s ARG 258 Cb -0.23 -3.90 -0.23 0.00 0.52 0.00 0.00 34.95 31.11 3ixb s ARG 258 CO 0.26 -0.74 0.11 0.66 0.02 0.00 0.00 175.30 175.62 3ixb n TYR 259 N 5.57 0.24 -3.86 -0.53 4.01 -0.45 -2.27 117.16 119.86 3ixb n TYR 259 Ca -0.07 0.07 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3ixb n TYR 259 Cb 0.48 -1.04 -0.10 0.00 -0.31 0.00 0.00 39.34 38.37 3ixb n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3ixb s TRP 260 N -2.52 0.01 -0.05 -0.72 0.52 -1.24 -1.54 118.94 113.40 3ixb s TRP 260 Ca -0.16 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 55.96 3ixb s TRP 260 Cb 0.07 -0.03 -0.02 0.00 -1.15 0.00 0.00 33.47 32.34 3ixb s TRP 260 CO 0.77 -0.27 -0.22 -1.14 0.02 0.00 0.00 176.95 176.11 3ixb s GLN 261 N -1.24 2.46 -0.28 4.98 0.74 0.18 -1.26 119.66 125.25 3ixb s GLN 261 Ca -0.13 -0.86 -0.03 0.00 0.05 0.00 0.00 55.36 54.39 3ixb s GLN 261 Cb -0.07 -2.20 0.09 0.00 1.10 0.00 0.00 33.01 31.94 3ixb s GLN 261 CO 0.02 0.47 0.11 0.99 -0.55 0.00 0.00 175.29 176.33 3ixb s THR 262 N -0.38 0.22 0.00 -0.34 2.01 -0.19 -1.21 115.64 115.76 3ixb s THR 262 Ca 0.03 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.18 3ixb s THR 262 Cb -0.12 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.27 3ixb s THR 262 CO 0.02 -0.63 0.00 0.61 -0.69 0.00 0.00 174.62 173.93 3ixb n GLY 263 N 5.13 4.23 0.58 4.40 0.00 -1.26 -1.49 105.19 116.79 3ixb n GLY 263 Ca -0.05 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3ixb n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ixb n ASP 264 N 8.31 1.83 -4.75 1.61 10.43 -1.26 -4.94 116.55 127.77 3ixb n ASP 264 Ca 0.00 -1.59 -0.32 0.00 2.57 0.00 0.00 54.79 55.45 3ixb n ASP 264 Cb 0.00 0.01 -0.07 0.00 1.84 0.00 0.00 41.12 42.90 3ixb n ASP 264 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3ixb s MET 265 N -2.02 2.93 -0.06 -1.24 1.75 -0.55 -4.48 119.30 115.62 3ixb s MET 265 Ca 0.35 -0.58 0.06 0.00 -1.25 0.00 0.00 55.69 54.26 3ixb s MET 265 Cb 0.21 -2.77 -0.01 0.00 2.84 0.00 0.00 34.83 35.10 3ixb s MET 265 CO 0.34 0.62 -0.23 0.71 -0.65 0.00 0.00 175.02 175.80 3ixb s TYR 266 N -1.22 2.48 -0.19 4.11 2.02 0.10 -1.02 117.35 123.63 3ixb s TYR 266 Ca 0.24 -0.65 -0.20 0.00 -0.37 0.00 0.00 57.07 56.09 3ixb s TYR 266 Cb -0.12 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3ixb s TYR 266 CO 0.15 -0.17 0.58 -1.14 -1.57 0.00 0.00 175.55 173.40 3ixb s GLN 267 N -0.20 4.21 0.00 -0.62 2.00 -0.39 -0.76 119.66 123.90 3ixb s GLN 267 Ca -0.02 0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.86 3ixb s GLN 267 Cb -0.13 -3.56 0.00 0.00 0.80 0.00 0.00 33.01 30.11 3ixb s GLN 267 CO 0.03 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 3ixb n GLY 268 N 3.81 2.20 3.39 2.59 0.00 0.01 -1.35 105.19 115.84 3ixb n GLY 268 Ca -0.03 -2.02 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 3ixb n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixb s LEU 269 N 0.00 5.26 0.00 0.99 1.43 -0.06 -4.61 118.68 121.69 3ixb s LEU 269 Ca 0.00 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 3ixb s LEU 269 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3ixb s LEU 269 CO 0.00 -1.13 0.00 0.61 0.23 0.00 0.00 176.35 176.06 3ixb n GLY 270 N 5.28 1.97 3.74 -3.19 0.00 -1.26 -4.31 105.19 107.41 3ixb n GLY 270 Ca -0.09 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3ixb n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ixb s TRP 271 N 0.00 2.17 0.04 1.61 0.52 -1.26 -4.65 118.94 117.37 3ixb s TRP 271 Ca 0.00 1.52 0.08 0.00 0.02 0.00 0.00 56.10 57.71 3ixb s TRP 271 Cb 0.00 -3.59 -0.03 0.00 -1.15 0.00 0.00 33.47 28.71 3ixb s TRP 271 CO 0.00 -2.64 -0.22 -1.21 0.02 0.00 0.00 176.95 172.90 3ixb s GLU 272 N -3.47 1.51 0.06 4.98 2.02 -0.88 -0.81 118.70 122.12 3ixb s GLU 272 Ca 0.79 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.84 3ixb s GLU 272 Cb -0.34 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 3ixb s GLU 272 CO 0.39 0.42 -0.11 -1.64 0.02 0.00 0.00 175.26 174.33 3ixb s MET 273 N -1.17 0.70 0.10 1.61 -1.94 0.06 -0.93 119.30 117.73 3ixb s MET 273 Ca 0.09 -0.86 0.07 0.00 -1.71 0.00 0.00 55.69 53.27 3ixb s MET 273 Cb -0.09 -0.60 -0.03 0.00 2.01 0.00 0.00 34.83 36.11 3ixb s MET 273 CO 0.02 0.13 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.48 3ixb s LEU 274 N -1.65 2.33 0.30 -0.03 1.02 -0.06 0.01 118.68 120.60 3ixb s LEU 274 Ca -0.05 -0.71 -0.29 0.00 0.02 0.00 0.00 54.13 53.10 3ixb s LEU 274 Cb -0.10 -0.68 -0.11 0.00 0.02 0.00 0.00 46.19 45.32 3ixb s LEU 274 CO 0.01 -0.04 1.46 -1.81 0.02 0.00 0.00 176.35 176.00 3ixb s ASP 275 N -2.04 6.55 -0.15 2.29 1.01 -1.26 -0.30 116.67 122.77 3ixb s ASP 275 Ca 0.05 2.81 -0.09 0.00 0.71 0.00 0.00 52.55 56.03 3ixb s ASP 275 Cb -0.08 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 3ixb s ASP 275 CO 0.04 -0.75 0.16 0.86 0.21 0.00 0.00 175.17 175.69 3ixb s TRP 276 N -0.41 3.52 0.40 4.23 -0.11 -0.13 -3.61 118.94 122.83 3ixb s TRP 276 Ca 0.57 0.48 -0.24 0.00 1.22 0.00 0.00 56.10 58.14 3ixb s TRP 276 Cb -0.44 -2.08 -0.09 0.00 -1.50 0.00 0.00 33.47 29.36 3ixb s TRP 276 CO 0.50 0.52 1.02 -1.25 -4.62 0.00 0.00 176.95 173.11 3ixb s PRO 277 N -0.37 4.22 0.00 5.86 0.04 -1.26 -4.70 135.00 138.79 3ixb s PRO 277 Ca 0.13 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.62 3ixb s PRO 277 Cb -0.12 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 3ixb s PRO 277 CO 0.02 -0.07 -0.09 0.14 0.04 0.00 0.00 177.00 177.04 3ixb s VAL 278 N -1.75 3.48 -0.08 -0.36 -7.23 -1.24 -5.09 120.40 108.13 3ixb s VAL 278 Ca 0.58 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 3ixb s VAL 278 Cb -0.19 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3ixb s VAL 278 CO 0.24 0.41 1.28 0.21 -0.31 0.00 0.00 175.10 176.93 3ixb s ASN 279 N -1.33 6.96 0.36 4.85 2.47 -1.26 -4.94 114.94 122.06 3ixb s ASN 279 Ca 0.16 1.84 0.11 0.00 0.42 0.00 0.00 52.86 55.39 3ixb s ASN 279 Cb -0.11 -2.55 0.89 0.00 -1.45 0.00 0.00 41.25 38.03 3ixb s ASN 279 CO 0.06 -0.68 1.84 -0.65 -3.72 0.00 0.00 177.10 173.95 3ixb h PRO 280 N 7.87 0.59 0.00 0.43 0.11 -1.99 0.47 132.00 139.48 3ixb h PRO 280 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ixb h PRO 280 Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ixb h PRO 280 CO 0.92 0.39 0.00 -0.44 -0.21 0.00 0.00 178.00 178.66 3ixb h ASP 281 N 0.61 0.00 0.60 -2.05 3.32 -1.92 -3.23 116.42 113.75 3ixb h ASP 281 Ca 0.49 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.26 3ixb h ASP 281 Cb 0.92 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 3ixb h ASP 281 CO -0.24 0.00 -1.51 -1.28 -1.72 0.00 0.00 179.24 174.50 3ixb h SER 282 N 0.00 0.09 0.41 6.45 0.87 -1.30 -3.24 113.55 116.83 3ixb h SER 282 Ca 0.00 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 3ixb h SER 282 Cb 0.62 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3ixb h SER 282 CO 0.00 1.13 -0.15 0.16 -0.53 0.00 0.00 176.83 177.43 3ixb h ILE 283 N 0.02 0.65 0.00 2.23 3.07 -1.49 -3.48 117.51 118.50 3ixb h ILE 283 Ca -0.21 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.55 3ixb h ILE 283 Cb 1.95 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.91 3ixb h ILE 283 CO 0.11 0.15 0.00 2.30 -1.05 0.00 0.00 178.15 179.66 3ixb n ILE 284 N -3.69 0.00 0.00 0.16 -6.64 -1.23 -5.11 119.36 102.85 3ixb n ILE 284 Ca -0.02 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 3ixb n ILE 284 Cb 0.27 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.47 3ixb n ILE 284 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 3ixb n ILE 291 N 0.00 0.00 0.11 7.28 5.41 -1.26 -4.68 119.36 126.22 3ixb n ILE 291 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 3ixb n ILE 291 Cb 0.00 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.11 3ixb n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ixb h ALA 292 N 0.00 0.99 -2.48 -1.39 0.00 -2.09 -3.43 119.26 110.87 3ixb h ALA 292 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3ixb h ALA 292 Cb 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 17.44 3ixb h ALA 292 CO 0.00 0.68 -0.34 -1.17 0.00 0.00 0.00 179.25 178.43 3ixb s LEU 293 N -7.94 -0.63 -0.37 0.00 0.20 -1.26 -5.02 118.68 103.66 3ixb s LEU 293 Ca -0.03 1.04 0.01 0.00 0.69 0.00 0.00 54.13 55.83 3ixb s LEU 293 Cb 0.13 1.44 0.11 0.00 -0.43 0.00 0.00 46.19 47.45 3ixb s LEU 293 CO 0.78 -0.23 0.15 0.00 -0.29 0.00 0.00 176.35 176.76 3ixb s ALA 294 N 2.48 1.91 -0.19 5.97 0.00 -1.26 -5.09 121.76 125.57 3ixb s ALA 294 Ca -0.03 -2.13 -0.24 0.00 0.00 0.00 0.00 51.96 49.56 3ixb s ALA 294 Cb -0.11 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 3ixb s ALA 294 CO -0.13 -1.84 0.78 0.00 0.00 0.00 0.00 175.76 174.57 3ixb s ALA 295 N 1.03 3.56 -0.05 0.00 0.00 -1.26 -4.60 121.76 120.43 3ixb s ALA 295 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.05 3ixb s ALA 295 Cb -0.20 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3ixb s ALA 295 CO -0.13 -0.70 -0.16 1.03 0.00 0.00 0.00 175.76 175.81 3ixb s ARG 296 N 2.27 1.79 0.40 0.00 1.81 -0.69 -4.97 118.95 119.56 3ixb s ARG 296 Ca 0.35 -0.56 -0.26 0.00 -1.72 0.00 0.00 55.73 53.54 3ixb s ARG 296 Cb -0.16 -1.52 -0.09 0.00 -0.45 0.00 0.00 34.95 32.73 3ixb s ARG 296 CO 0.11 0.17 1.37 -2.14 -0.68 0.00 0.00 175.30 174.13 3ixb s PRO 297 N 0.23 3.96 0.07 3.54 0.02 -1.26 0.03 135.00 141.59 3ixb s PRO 297 Ca -0.08 2.31 0.08 0.00 0.02 0.00 0.00 61.00 63.34 3ixb s PRO 297 Cb -0.13 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.55 3ixb s PRO 297 CO 0.03 -0.55 -0.20 0.14 -0.33 0.00 0.00 177.00 176.08 3ixb s VAL 298 N -1.21 2.65 -0.26 3.83 -7.23 -0.81 -4.68 120.40 112.71 3ixb s VAL 298 Ca 0.56 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 3ixb s VAL 298 Cb -0.41 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3ixb s VAL 298 CO 0.54 0.26 0.16 -0.75 -0.31 0.00 0.00 175.10 175.00 3ixb s LYS 299 N -1.64 3.97 0.35 4.82 2.20 -0.35 -4.82 119.74 124.27 3ixb s LYS 299 Ca 0.15 -0.32 -0.28 0.00 -0.36 0.00 0.00 55.97 55.17 3ixb s LYS 299 Cb -0.10 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 3ixb s LYS 299 CO 0.06 -0.06 1.27 0.00 -0.36 0.00 0.00 175.35 176.26 3ixb s ALA 300 N 1.40 3.39 -0.42 3.13 0.00 -1.26 -0.64 121.76 127.35 3ixb s ALA 300 Ca 0.07 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 3ixb s ALA 300 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.55 3ixb s ALA 300 CO 0.07 -0.64 0.31 0.42 0.00 0.00 0.00 175.76 175.93 3ixb s ILE 301 N -1.20 5.17 -0.31 0.00 -1.09 -0.59 -4.87 121.20 118.31 3ixb s ILE 301 Ca 0.51 -0.78 0.02 0.00 -2.23 0.00 0.00 60.65 58.18 3ixb s ILE 301 Cb -0.38 -3.93 0.09 0.00 -1.58 0.00 0.00 42.46 36.66 3ixb s ILE 301 CO 0.49 -0.37 0.03 -0.89 -1.23 0.00 0.00 174.94 172.98 3ixb s THR 302 N 1.65 1.86 0.76 2.92 2.01 -1.26 -2.13 115.64 121.46 3ixb s THR 302 Ca 0.04 -1.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.03 3ixb s THR 302 Cb -0.20 -2.31 0.09 0.00 0.01 0.00 0.00 72.50 70.08 3ixb s THR 302 CO 0.09 -0.50 1.09 -2.16 -0.69 0.00 0.00 174.62 172.45 3ixb s PRO 303 N 1.14 1.91 0.46 4.92 0.04 -1.26 -5.09 135.00 137.12 3ixb s PRO 303 Ca 0.07 -0.26 -0.25 0.00 0.04 0.00 0.00 61.00 60.60 3ixb s PRO 303 Cb -0.19 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3ixb s PRO 303 CO -0.11 -1.48 1.39 -2.30 0.04 0.00 0.00 177.00 174.53 3ixb n PRO 304 N -3.11 2.10 -2.57 0.56 -0.02 -0.91 -4.95 135.00 126.10 3ixb n PRO 304 Ca 0.09 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 3ixb n PRO 304 Cb 0.60 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3ixb n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ixb s THR 305 N -1.21 4.53 0.84 3.45 2.01 -0.96 -4.85 115.64 119.45 3ixb s THR 305 Ca 0.63 1.83 -0.11 0.00 0.31 0.00 0.00 61.69 64.34 3ixb s THR 305 Cb -0.46 -4.18 0.10 0.00 0.01 0.00 0.00 72.50 67.98 3ixb s THR 305 CO 0.56 -0.05 1.15 -2.84 -0.69 0.00 0.00 174.62 172.76 3ixb s PRO 306 N 2.47 1.54 -0.45 4.92 0.02 -1.26 -0.66 135.00 141.58 3ixb s PRO 306 Ca 0.51 1.54 -0.42 0.00 0.02 0.00 0.00 61.00 62.64 3ixb s PRO 306 Cb -0.20 -1.79 -0.18 0.00 0.02 0.00 0.00 34.50 32.35 3ixb s PRO 306 CO 0.17 -2.24 1.48 0.00 -0.33 0.00 0.00 177.00 176.07 3ixb n ALA 307 N -3.71 -1.11 -2.61 -1.55 0.00 -1.25 -4.76 120.51 105.52 3ixb n ALA 307 Ca 0.12 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 3ixb n ALA 307 Cb 0.52 -1.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 3ixb n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ixb s VAL 308 N 2.92 5.10 0.42 0.00 1.01 -1.26 -4.96 120.40 123.63 3ixb s VAL 308 Ca 0.96 0.76 0.10 0.00 0.00 0.00 0.00 61.98 63.79 3ixb s VAL 308 Cb -1.35 -3.79 0.22 0.00 0.00 0.00 0.00 36.38 31.46 3ixb s VAL 308 CO 0.73 0.09 2.02 0.03 0.00 0.00 0.00 175.10 177.97 3ixb h ARG 309 N 8.09 0.30 -3.10 2.72 3.08 -1.97 -3.22 114.38 120.28 3ixb h ARG 309 Ca -0.30 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.05 3ixb h ARG 309 Cb 1.15 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 31.16 3ixb h ARG 309 CO 0.69 0.29 3.79 0.00 -1.07 0.00 0.00 179.97 183.67 3ixb n ALA 310 N -2.50 7.37 -2.77 0.04 0.00 -1.26 -1.21 120.51 120.18 3ixb n ALA 310 Ca 0.00 -3.55 -0.15 0.00 0.00 0.00 0.00 53.44 49.74 3ixb n ALA 310 Cb 0.15 -3.39 -0.11 0.00 0.00 0.00 0.00 19.45 16.10 3ixb n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ixb s SER 311 N 2.28 1.15 -0.38 0.00 0.01 -1.22 -0.95 113.70 114.59 3ixb s SER 311 Ca 0.68 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 57.15 3ixb s SER 311 Cb 0.18 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.42 3ixb s SER 311 CO -0.06 -0.18 0.52 0.86 0.41 0.00 0.00 173.24 174.79 3ixb s TRP 312 N -1.49 3.15 -0.14 2.43 -0.11 0.59 -4.01 118.94 119.37 3ixb s TRP 312 Ca -0.06 0.01 -0.02 0.00 1.22 0.00 0.00 56.10 57.25 3ixb s TRP 312 Cb -0.09 -3.00 -0.02 0.00 -1.50 0.00 0.00 33.47 28.85 3ixb s TRP 312 CO 0.01 -0.64 -0.07 0.08 -4.62 0.00 0.00 176.95 171.71 3ixb s VAL 313 N 2.42 3.60 0.21 5.86 1.01 -0.07 -0.88 120.40 132.56 3ixb s VAL 313 Ca 0.18 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 3ixb s VAL 313 Cb -0.15 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3ixb s VAL 313 CO 0.15 0.52 0.55 -1.38 0.00 0.00 0.00 175.10 174.94 3ixb s HIS 314 N 0.20 -0.12 -0.26 5.22 -3.43 -0.11 -0.41 115.29 116.39 3ixb s HIS 314 Ca -0.04 -0.24 -0.18 0.00 -0.80 0.00 0.00 55.06 53.80 3ixb s HIS 314 Cb -0.14 0.43 0.07 0.00 -1.43 0.00 0.00 32.58 31.51 3ixb s HIS 314 CO 0.04 -0.97 0.66 0.21 -2.00 0.00 0.00 174.74 172.68 3ixb s LYS 315 N -3.88 0.71 0.30 -0.38 2.47 -0.43 -2.07 119.74 116.45 3ixb s LYS 315 Ca 0.10 1.08 -0.07 0.00 -1.56 0.00 0.00 55.97 55.53 3ixb s LYS 315 Cb -0.02 0.21 -0.06 0.00 -1.46 0.00 0.00 37.83 36.51 3ixb s LYS 315 CO -0.01 -0.13 0.59 0.95 0.16 0.00 0.00 175.35 176.91 3ixb s THR 316 N 1.15 4.97 -0.01 3.43 -4.23 -1.26 -2.00 115.64 117.69 3ixb s THR 316 Ca -0.06 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.65 3ixb s THR 316 Cb -0.05 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.08 3ixb s THR 316 CO -0.12 -0.31 0.02 -0.83 -0.54 0.00 0.00 174.62 172.84 3ixb s GLY 317 N -3.04 -0.00 0.00 3.99 0.00 0.09 -3.62 107.32 104.74 3ixb s GLY 317 Ca 0.46 0.08 -0.00 0.00 0.00 0.00 0.00 44.72 45.25 3ixb s GLY 317 CO 0.29 0.10 -0.00 0.00 0.00 0.00 0.00 173.10 173.49 3ixb s ALA 318 N 0.10 0.01 0.36 3.20 0.00 -1.26 -0.22 121.76 123.95 3ixb s ALA 318 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3ixb s ALA 318 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3ixb s ALA 318 CO -0.00 -0.04 0.05 0.25 0.00 0.00 0.00 175.76 176.02 3ixb n THR 319 N 2.73 0.00 -0.32 0.00 -2.24 -0.40 -4.17 114.28 109.87 3ixb n THR 319 Ca -0.15 -1.84 0.09 0.00 -2.27 0.00 0.00 64.05 59.88 3ixb n THR 319 Cb 0.59 0.51 0.26 0.00 -2.10 0.00 0.00 70.33 69.58 3ixb n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ixb h GLY 320 N 1.09 1.55 -0.99 3.38 0.00 -1.97 -3.03 103.07 103.09 3ixb h GLY 320 Ca -0.29 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3ixb h GLY 320 CO 0.47 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.58 3ixb n GLY 321 N -1.33 0.09 3.02 4.60 0.00 -1.26 -4.47 105.19 105.84 3ixb n GLY 321 Ca 0.19 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3ixb n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixb s PHE 322 N -0.98 0.51 -0.08 1.61 0.40 -1.15 -1.89 117.98 116.40 3ixb s PHE 322 Ca 0.15 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 3ixb s PHE 322 Cb 0.10 -0.32 0.02 0.00 0.51 0.00 0.00 43.02 43.34 3ixb s PHE 322 CO 0.15 -0.09 -0.04 0.20 0.70 0.00 0.00 175.22 176.14 3ixb s GLY 323 N -1.27 0.61 0.19 4.36 0.00 -0.63 -1.28 107.32 109.31 3ixb s GLY 323 Ca -0.09 -0.27 0.09 0.00 0.00 0.00 0.00 44.72 44.45 3ixb s GLY 323 CO -0.00 0.86 -0.18 -1.35 0.00 0.00 0.00 173.10 172.42 3ixb s SER 324 N 1.64 2.90 -0.18 1.64 1.04 0.69 -1.34 113.70 120.09 3ixb s SER 324 Ca 0.01 -0.92 -0.16 0.00 0.48 0.00 0.00 55.95 55.36 3ixb s SER 324 Cb -0.13 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.85 3ixb s SER 324 CO -0.05 -0.03 0.47 -0.47 0.98 0.00 0.00 173.24 174.14 3ixb s TYR 325 N -2.26 -0.52 -0.04 5.02 5.04 -0.18 -0.73 117.35 123.69 3ixb s TYR 325 Ca 0.20 1.26 0.02 0.00 -2.44 0.00 0.00 57.07 56.11 3ixb s TYR 325 Cb -0.05 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.45 3ixb s TYR 325 CO 0.08 -0.25 -0.06 0.08 -1.34 0.00 0.00 175.55 174.06 3ixb s VAL 326 N 0.27 0.63 -0.04 3.14 1.01 -0.85 -0.55 120.40 124.02 3ixb s VAL 326 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3ixb s VAL 326 Cb -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3ixb s VAL 326 CO 0.00 0.23 0.16 0.00 0.00 0.00 0.00 175.10 175.49 3ixb s ALA 327 N 0.56 -0.39 0.06 5.51 0.00 -0.67 -1.32 121.76 125.51 3ixb s ALA 327 Ca -0.08 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 3ixb s ALA 327 Cb -0.12 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3ixb s ALA 327 CO 0.01 -0.13 0.37 -0.59 0.00 0.00 0.00 175.76 175.42 3ixb s PHE 328 N -0.41 -0.19 -0.32 0.00 -0.71 0.45 -0.49 117.98 116.32 3ixb s PHE 328 Ca -0.05 0.05 0.02 0.00 -1.04 0.00 0.00 56.93 55.91 3ixb s PHE 328 Cb -0.03 0.18 0.09 0.00 -1.21 0.00 0.00 43.02 42.05 3ixb s PHE 328 CO 0.01 -0.57 0.04 0.42 -1.34 0.00 0.00 175.22 173.78 3ixb s ILE 329 N -2.80 1.81 0.27 -4.49 1.01 0.18 -0.90 121.20 116.29 3ixb s ILE 329 Ca -0.03 -1.93 -0.02 0.00 0.00 0.00 0.00 60.65 58.67 3ixb s ILE 329 Cb -0.00 -2.30 0.27 0.00 0.01 0.00 0.00 42.46 40.45 3ixb s ILE 329 CO -0.05 -0.54 1.87 -0.65 0.00 0.00 0.00 174.94 175.58 3ixb h PRO 330 N 7.78 1.12 0.00 2.79 0.11 -1.68 -1.63 132.00 140.49 3ixb h PRO 330 Ca -0.09 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3ixb h PRO 330 Cb 1.03 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3ixb h PRO 330 CO 0.49 0.74 -0.07 1.05 -0.21 0.00 0.00 178.00 180.00 3ixb h GLU 331 N 1.15 0.00 -0.02 1.05 4.11 -1.47 -2.31 114.58 117.09 3ixb h GLU 331 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 3ixb h GLU 331 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ixb h GLU 331 CO -0.19 0.07 -0.23 1.63 0.07 0.00 0.00 179.01 180.37 3ixb n LYS 332 N -3.35 1.67 -3.83 1.06 4.76 -0.66 -4.98 118.16 112.83 3ixb n LYS 332 Ca -0.01 -1.34 -0.28 0.00 -2.87 0.00 0.00 58.31 53.81 3ixb n LYS 332 Cb 0.23 -1.41 0.04 0.00 -1.84 0.00 0.00 35.03 32.05 3ixb n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3ixb n GLU 333 N 0.54 -5.98 -4.87 1.97 1.02 -0.87 -4.55 120.64 107.90 3ixb n GLU 333 Ca 0.10 0.65 -0.26 0.00 -0.02 0.00 0.00 57.16 57.64 3ixb n GLU 333 Cb 0.48 -5.55 -0.16 0.00 -0.02 0.00 0.00 31.44 26.19 3ixb n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ixb s LEU 334 N -7.23 1.99 0.21 -4.62 2.96 -1.17 -2.39 118.68 108.45 3ixb s LEU 334 Ca 0.58 -0.34 -0.22 0.00 -0.22 0.00 0.00 54.13 53.94 3ixb s LEU 334 Cb -0.28 -0.96 0.04 0.00 0.50 0.00 0.00 46.19 45.49 3ixb s LEU 334 CO 0.81 0.20 0.64 -0.83 -1.32 0.00 0.00 176.35 175.85 3ixb s GLY 335 N -0.26 -0.34 -0.06 7.98 0.00 -0.36 -0.64 107.32 113.63 3ixb s GLY 335 Ca 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 44.72 44.74 3ixb s GLY 335 CO 0.00 0.01 0.23 -1.50 0.00 0.00 0.00 173.10 171.85 3ixb s ILE 336 N -3.83 0.02 -0.08 0.90 2.07 0.36 -0.72 121.20 119.92 3ixb s ILE 336 Ca 0.06 -0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 3ixb s ILE 336 Cb -0.03 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3ixb s ILE 336 CO -0.04 -0.10 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.02 3ixb s VAL 337 N -0.32 1.60 -0.18 4.00 1.01 -0.23 -1.67 120.40 124.62 3ixb s VAL 337 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3ixb s VAL 337 Cb -0.03 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3ixb s VAL 337 CO 0.01 0.46 -0.15 -0.04 0.00 0.00 0.00 175.10 175.38 3ixb s MET 338 N 0.45 2.46 -0.14 2.72 -1.94 0.29 -1.24 119.30 121.90 3ixb s MET 338 Ca -0.16 -0.78 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 3ixb s MET 338 Cb -0.17 -2.39 0.01 0.00 2.01 0.00 0.00 34.83 34.29 3ixb s MET 338 CO 0.06 -0.30 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.04 3ixb s LEU 339 N 1.37 2.11 0.07 -0.03 1.43 0.03 -1.01 118.68 122.65 3ixb s LEU 339 Ca 0.02 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3ixb s LEU 339 Cb -0.14 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 3ixb s LEU 339 CO -0.10 0.08 -0.12 0.00 0.23 0.00 0.00 176.35 176.44 3ixb s ALA 340 N 0.79 1.01 -0.69 4.21 0.00 -0.45 -0.82 121.76 125.80 3ixb s ALA 340 Ca -0.08 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 3ixb s ALA 340 Cb -0.16 -0.05 0.43 0.00 0.00 0.00 0.00 23.12 23.35 3ixb s ALA 340 CO -0.01 0.10 2.04 0.27 0.00 0.00 0.00 175.76 178.15 3ixb n ASN 341 N 1.25 7.67 -3.80 0.00 6.94 -0.99 -1.60 115.26 124.72 3ixb n ASN 341 Ca -0.21 -3.78 -0.12 0.00 -0.02 0.00 0.00 54.58 50.44 3ixb n ASN 341 Cb 0.55 -1.00 -0.11 0.00 -2.36 0.00 0.00 39.78 36.86 3ixb n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ixb s LYS 342 N -3.83 0.33 -0.93 -3.83 2.20 -0.79 -1.57 119.74 111.32 3ixb s LYS 342 Ca 0.62 0.16 -0.21 0.00 -0.36 0.00 0.00 55.97 56.19 3ixb s LYS 342 Cb 0.49 0.15 0.10 0.00 -1.51 0.00 0.00 37.83 37.07 3ixb s LYS 342 CO -0.08 -0.06 1.22 1.21 -0.36 0.00 0.00 175.35 177.28 3ixb s ASN 343 N -0.23 6.54 0.31 1.43 2.47 -1.25 -1.89 114.94 122.33 3ixb s ASN 343 Ca -0.03 -1.74 0.07 0.00 0.42 0.00 0.00 52.86 51.57 3ixb s ASN 343 Cb -0.03 -2.46 -0.02 0.00 -1.45 0.00 0.00 41.25 37.30 3ixb s ASN 343 CO 0.01 -1.25 0.37 -0.72 -3.72 0.00 0.00 177.10 171.79 3ixb s TYR 344 N 3.57 3.10 0.30 0.43 -0.85 -1.26 -4.94 117.35 117.69 3ixb s TYR 344 Ca 0.36 -0.21 -0.30 0.00 -0.52 0.00 0.00 57.07 56.41 3ixb s TYR 344 Cb -0.04 -1.81 -0.12 0.00 0.38 0.00 0.00 41.96 40.36 3ixb s TYR 344 CO -0.08 0.17 1.42 -2.30 -1.52 0.00 0.00 175.55 173.24 3ixb n PRO 345 N -1.48 2.28 -0.31 -3.49 -0.02 -1.26 -4.90 135.00 125.82 3ixb n PRO 345 Ca -0.03 0.81 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 3ixb n PRO 345 Cb 0.58 -2.48 0.22 0.00 -0.02 0.00 0.00 33.50 31.81 3ixb n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ixb h ASN 346 N 3.71 0.66 -0.63 2.55 2.35 -2.00 -2.10 115.58 120.12 3ixb h ASN 346 Ca -0.46 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.41 3ixb h ASN 346 Cb 1.26 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 3ixb h ASN 346 CO 0.71 0.31 0.42 -0.65 -1.65 0.00 0.00 177.43 176.57 3ixb h PRO 347 N 0.74 0.65 -0.39 0.81 0.11 -1.91 -1.34 132.00 130.67 3ixb h PRO 347 Ca 0.47 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 3ixb h PRO 347 Cb 0.59 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3ixb h PRO 347 CO -0.32 0.43 -0.19 0.00 -0.21 0.00 0.00 178.00 177.71 3ixb h ALA 348 N 1.65 0.95 0.00 -0.75 0.00 -1.74 -0.90 119.26 118.48 3ixb h ALA 348 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ixb h ALA 348 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ixb h ALA 348 CO -0.08 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 3ixb h ARG 349 N 0.65 -0.00 -0.48 0.00 3.08 -1.15 -2.47 114.38 114.01 3ixb h ARG 349 Ca 0.10 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3ixb h ARG 349 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3ixb h ARG 349 CO 0.05 0.14 0.03 0.28 -1.07 0.00 0.00 179.97 179.40 3ixb h VAL 350 N -0.14 1.26 -0.37 2.04 2.07 -1.16 -1.01 116.25 118.94 3ixb h VAL 350 Ca -0.00 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3ixb h VAL 350 Cb 0.14 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3ixb h VAL 350 CO 0.00 0.35 0.16 -0.78 0.02 0.00 0.00 177.57 177.33 3ixb h ASP 351 N 0.68 0.22 -0.26 0.57 -0.00 -1.19 0.62 116.42 117.05 3ixb h ASP 351 Ca 0.14 0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.18 3ixb h ASP 351 Cb 0.46 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.77 3ixb h ASP 351 CO 0.02 0.17 0.09 0.00 -0.00 0.00 0.00 179.24 179.51 3ixb h ALA 352 N 1.21 0.34 -0.55 -0.78 0.00 -1.21 -1.48 119.26 116.79 3ixb h ALA 352 Ca 0.16 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ixb h ALA 352 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ixb h ALA 352 CO -0.14 -0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.41 3ixb h ALA 353 N 0.92 0.71 -0.51 0.00 0.00 -0.96 -1.96 119.26 117.47 3ixb h ALA 353 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ixb h ALA 353 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ixb h ALA 353 CO -0.00 0.06 0.09 2.35 0.00 0.00 0.00 179.25 181.75 3ixb h TRP 354 N 0.66 0.88 -0.86 0.00 7.01 -0.74 -0.73 115.95 122.17 3ixb h TRP 354 Ca 0.22 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3ixb h TRP 354 Cb 0.02 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 26.79 3ixb h TRP 354 CO -0.06 0.80 0.51 1.96 -2.79 0.00 0.00 178.44 178.85 3ixb h GLN 355 N 0.72 1.18 0.28 2.65 1.08 -1.05 0.22 115.11 120.18 3ixb h GLN 355 Ca 0.16 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3ixb h GLN 355 Cb 0.38 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3ixb h GLN 355 CO 0.01 0.84 -0.14 0.82 -0.95 0.00 0.00 178.83 179.41 3ixb h ILE 356 N 1.19 0.74 -0.43 2.54 2.04 -1.16 -2.80 117.51 119.63 3ixb h ILE 356 Ca 0.31 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3ixb h ILE 356 Cb -0.03 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ixb h ILE 356 CO -0.06 0.12 -0.18 -0.07 0.00 0.00 0.00 178.15 177.97 3ixb h LEU 357 N -0.72 0.84 -0.90 1.44 3.38 -0.99 -2.90 115.31 115.46 3ixb h LEU 357 Ca -0.04 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3ixb h LEU 357 Cb 0.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3ixb h LEU 357 CO 0.06 1.01 0.56 -1.13 0.09 0.00 0.00 178.44 179.03 3ixb h ASN 358 N 0.73 1.07 0.24 -0.43 -1.24 -0.65 -1.29 115.58 114.02 3ixb h ASN 358 Ca 0.11 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 3ixb h ASN 358 Cb 0.69 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 3ixb h ASN 358 CO 0.05 0.81 -0.15 0.00 -1.29 0.00 0.00 177.43 176.85 3ixb h ALA 359 N 1.31 1.52 0.00 1.57 0.00 -1.34 -2.92 119.26 119.40 3ixb h ALA 359 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ixb h ALA 359 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ixb h ALA 359 CO -0.06 0.19 -1.25 1.28 0.00 0.00 0.00 179.25 179.40 3ixb n LEU 360 N -4.03 0.53 -0.17 0.00 4.77 -0.87 -5.12 117.00 112.12 3ixb n LEU 360 Ca -0.02 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3ixb n LEU 360 Cb 0.23 -0.06 0.80 0.00 -2.33 0.00 0.00 43.42 42.06 3ixb n LEU 360 CO 0.33 0.00 1.03 1.67 -1.33 0.00 0.00 177.39 179.09