#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixq n ASN 3 N 0.00 -5.22 0.04 -3.46 4.13 -1.26 -4.84 115.26 104.65 3ixq n ASN 3 Ca 0.00 -0.64 0.02 0.00 1.68 0.00 0.00 54.58 55.64 3ixq n ASN 3 Cb 0.00 -4.60 0.36 0.00 -1.54 0.00 0.00 39.78 34.00 3ixq n ASN 3 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3ixq h GLU 4 N -2.39 0.45 -0.34 3.52 3.07 -2.04 -1.68 114.58 115.16 3ixq h GLU 4 Ca -0.58 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.21 3ixq h GLU 4 Cb 1.37 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 3ixq h GLU 4 CO 0.59 0.44 0.23 0.38 -1.40 0.00 0.00 179.01 179.25 3ixq h ASP 5 N 0.44 0.39 -0.07 1.42 2.03 -2.00 -0.91 116.42 117.72 3ixq h ASP 5 Ca 0.10 -0.01 -0.12 0.00 -0.73 0.00 0.00 57.03 56.27 3ixq h ASP 5 Cb 0.22 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 3ixq h ASP 5 CO 0.00 0.28 -0.36 -0.07 -1.03 0.00 0.00 179.24 178.07 3ixq h LEU 6 N 0.46 0.59 -0.47 0.15 3.38 -1.74 -1.94 115.31 115.75 3ixq h LEU 6 Ca 0.13 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3ixq h LEU 6 Cb -0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ixq h LEU 6 CO -0.03 0.90 0.00 0.11 0.09 0.00 0.00 178.44 179.51 3ixq h LYS 7 N 0.48 0.83 -0.57 1.13 1.57 -1.12 -1.85 116.57 117.04 3ixq h LYS 7 Ca 0.05 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 3ixq h LYS 7 Cb 0.84 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3ixq h LYS 7 CO 0.07 0.88 0.15 1.25 -0.57 0.00 0.00 179.45 181.23 3ixq h LEU 8 N 0.68 0.85 -0.30 2.94 5.85 -1.05 -2.11 115.31 122.16 3ixq h LEU 8 Ca 0.13 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3ixq h LEU 8 Cb 0.50 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3ixq h LEU 8 CO 0.02 0.85 0.02 0.50 -0.34 0.00 0.00 178.44 179.50 3ixq h LYS 9 N 0.80 0.11 -0.61 1.25 3.64 -1.22 -0.69 116.57 119.86 3ixq h LYS 9 Ca 0.18 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3ixq h LYS 9 Cb 0.32 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3ixq h LYS 9 CO -0.00 0.08 0.05 -0.39 -2.27 0.00 0.00 179.45 176.91 3ixq h VAL 10 N 0.12 1.26 -0.46 2.00 -1.51 -1.23 -1.99 116.25 114.44 3ixq h VAL 10 Ca 0.14 -1.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.52 3ixq h VAL 10 Cb 0.18 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 30.08 3ixq h VAL 10 CO -0.22 0.40 0.27 0.00 -1.23 0.00 0.00 177.57 176.78 3ixq h ALA 11 N 1.00 0.59 -0.51 5.19 0.00 -1.14 0.13 119.26 124.53 3ixq h ALA 11 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ixq h ALA 11 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ixq h ALA 11 CO 0.02 0.10 0.12 0.87 0.00 0.00 0.00 179.25 180.36 3ixq h LYS 12 N 0.61 0.77 -0.04 0.00 1.57 -0.98 -2.11 116.57 116.39 3ixq h LYS 12 Ca 0.17 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3ixq h LYS 12 Cb 0.02 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3ixq h LYS 12 CO -0.03 0.70 -0.60 1.49 -0.57 0.00 0.00 179.45 180.44 3ixq h GLU 13 N 0.75 0.47 -0.94 3.15 4.57 -1.07 -3.29 114.58 118.21 3ixq h GLU 13 Ca 0.17 -0.45 0.08 0.00 -1.18 0.00 0.00 59.36 57.97 3ixq h GLU 13 Cb 0.27 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 3ixq h GLU 13 CO -0.00 1.10 0.59 0.00 -1.18 0.00 0.00 179.01 179.52 3ixq h ALA 14 N 0.38 1.34 0.00 2.92 0.00 -0.58 -2.48 119.26 120.84 3ixq h ALA 14 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ixq h ALA 14 Cb 1.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ixq h ALA 14 CO 0.12 0.30 -0.02 -0.24 0.00 0.00 0.00 179.25 179.41 3ixq h VAL 15 N 1.03 0.21 0.00 0.00 3.04 -1.45 -1.17 116.25 117.91 3ixq h VAL 15 Ca 0.43 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.95 3ixq h VAL 15 Cb 0.27 1.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3ixq h VAL 15 CO -0.21 0.02 -0.11 0.11 -1.01 0.00 0.00 177.57 176.38 3ixq h LYS 16 N 0.00 0.00 0.00 4.17 1.57 -1.58 -2.70 116.57 118.03 3ixq h LYS 16 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ixq h LYS 16 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ixq h LYS 16 CO 0.00 0.11 0.00 -0.07 -0.57 0.00 0.00 179.45 178.92 3ixq h LEU 17 N 0.00 0.00 -9.62 2.94 3.38 -1.35 -3.45 115.31 107.21 3ixq h LEU 17 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3ixq h LEU 17 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ixq h LEU 17 CO 0.01 0.00 0.51 -0.69 0.09 0.00 0.00 178.44 178.36 3ixq s VAL 18 N -3.44 3.85 0.12 1.22 1.01 -1.02 -5.03 120.40 117.11 3ixq s VAL 18 Ca 0.04 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.62 3ixq s VAL 18 Cb 0.09 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3ixq s VAL 18 CO 0.52 0.23 -0.11 -0.54 0.00 0.00 0.00 175.10 175.20 3ixq s LYS 19 N -0.03 2.08 0.26 2.72 -0.14 -1.26 -5.10 119.74 118.27 3ixq s LYS 19 Ca 0.52 -1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 53.73 3ixq s LYS 19 Cb -0.30 -2.25 -0.13 0.00 -1.68 0.00 0.00 37.83 33.47 3ixq s LYS 19 CO 0.34 0.49 1.36 -3.47 -0.76 0.00 0.00 175.35 173.31 3ixq n ASP 20 N 0.54 2.65 0.00 2.83 2.03 -1.26 -2.15 116.55 121.20 3ixq n ASP 20 Ca -0.13 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.34 3ixq n ASP 20 Cb 0.53 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 3ixq n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ixq n GLY 21 N 1.83 0.93 3.81 0.27 0.00 0.68 -4.99 105.19 107.72 3ixq n GLY 21 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3ixq n GLY 21 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ixq s MET 22 N -0.67 3.50 -0.23 1.61 -1.94 -0.91 -4.88 119.30 115.77 3ixq s MET 22 Ca 0.00 1.13 -0.07 0.00 -1.71 0.00 0.00 55.69 55.04 3ixq s MET 22 Cb 0.00 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 3ixq s MET 22 CO 0.00 -0.66 0.06 0.08 -0.01 0.00 0.00 175.02 174.49 3ixq s VAL 23 N -2.52 4.33 -0.14 -6.03 1.01 -1.26 -1.83 120.40 113.97 3ixq s VAL 23 Ca 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 3ixq s VAL 23 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3ixq s VAL 23 CO 0.36 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 175.06 3ixq s ILE 24 N 1.35 2.98 -0.02 2.22 -1.09 0.27 -0.85 121.20 126.06 3ixq s ILE 24 Ca 0.05 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 3ixq s ILE 24 Cb -0.15 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 3ixq s ILE 24 CO 0.03 0.52 1.23 -0.83 -1.23 0.00 0.00 174.94 174.66 3ixq s GLY 25 N 0.47 2.13 -0.36 6.18 0.00 -0.02 -0.96 107.32 114.75 3ixq s GLY 25 Ca -0.10 0.71 -0.10 0.00 0.00 0.00 0.00 44.72 45.24 3ixq s GLY 25 CO 0.05 2.22 0.18 1.08 0.00 0.00 0.00 173.10 176.63 3ixq s LEU 26 N 2.00 4.61 0.00 0.66 1.43 0.41 -1.46 118.68 126.34 3ixq s LEU 26 Ca 0.58 -1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 3ixq s LEU 26 Cb -0.27 -1.99 0.18 0.00 0.03 0.00 0.00 46.19 44.15 3ixq s LEU 26 CO 0.24 -0.37 0.82 0.61 0.23 0.00 0.00 176.35 177.88 3ixq n GLY 27 N 4.95 -2.05 3.27 -3.19 0.00 0.23 -1.74 105.19 106.66 3ixq n GLY 27 Ca -0.12 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 3ixq n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixq s THR 28 N -2.64 1.60 0.00 2.61 2.01 -1.26 -4.60 115.64 113.35 3ixq s THR 28 Ca 0.49 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.91 3ixq s THR 28 Cb -0.03 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.95 3ixq s THR 28 CO 0.36 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 3ixq n GLY 29 N 0.94 1.46 0.31 4.40 0.00 -1.26 -4.10 105.19 106.94 3ixq n GLY 29 Ca -0.18 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 3ixq n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ixq h SER 30 N 0.00 0.91 -0.17 1.61 4.64 -1.99 0.94 113.55 119.49 3ixq h SER 30 Ca 0.00 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 3ixq h SER 30 Cb 0.00 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3ixq h SER 30 CO 0.00 0.65 -0.27 0.74 -0.87 0.00 0.00 176.83 177.08 3ixq h THR 31 N 1.07 1.35 -0.68 2.95 2.02 -1.91 -2.65 112.91 115.06 3ixq h THR 31 Ca 0.30 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3ixq h THR 31 Cb -0.09 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3ixq h THR 31 CO -0.08 0.45 0.33 0.00 0.37 0.00 0.00 175.52 176.60 3ixq h ALA 32 N 0.59 1.32 -0.34 6.16 0.00 -1.75 -2.14 119.26 123.10 3ixq h ALA 32 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ixq h ALA 32 Cb 0.85 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3ixq h ALA 32 CO 0.06 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.92 3ixq h ALA 33 N 1.42 0.37 -0.95 0.00 0.00 -0.67 0.14 119.26 119.57 3ixq h ALA 33 Ca 0.24 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3ixq h ALA 33 Cb 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3ixq h ALA 33 CO -0.03 -0.33 0.63 -0.07 0.00 0.00 0.00 179.25 179.44 3ixq h LEU 34 N 0.20 1.06 -0.63 0.00 3.38 -1.15 -1.89 115.31 116.27 3ixq h LEU 34 Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ixq h LEU 34 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3ixq h LEU 34 CO -0.21 0.74 0.32 0.15 0.09 0.00 0.00 178.44 179.54 3ixq h PHE 35 N 1.23 0.89 -0.72 1.13 3.57 -0.66 -1.45 116.94 120.93 3ixq h PHE 35 Ca 0.37 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3ixq h PHE 35 Cb -0.06 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.37 3ixq h PHE 35 CO -0.00 0.66 0.42 0.82 -2.23 0.00 0.00 178.31 177.98 3ixq h ILE 36 N 0.87 1.21 -0.23 1.41 2.04 -0.15 0.15 117.51 122.81 3ixq h ILE 36 Ca 0.22 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3ixq h ILE 36 Cb 0.08 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3ixq h ILE 36 CO -0.03 0.22 0.10 -0.09 0.00 0.00 0.00 178.15 178.36 3ixq h ARG 37 N 0.99 0.22 -0.60 2.37 2.43 -1.11 0.19 114.38 118.87 3ixq h ARG 37 Ca 0.26 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3ixq h ARG 37 Cb -0.01 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3ixq h ARG 37 CO -0.05 0.15 0.35 0.93 -1.51 0.00 0.00 179.97 179.84 3ixq h GLU 38 N 0.23 0.82 -0.35 0.20 4.39 -0.71 -0.62 114.58 118.53 3ixq h GLU 38 Ca 0.10 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3ixq h GLU 38 Cb 0.04 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3ixq h GLU 38 CO -0.08 0.60 0.15 1.25 -1.16 0.00 0.00 179.01 179.77 3ixq h LEU 39 N 0.81 0.48 -0.70 1.33 5.85 -0.35 -0.39 115.31 122.33 3ixq h LEU 39 Ca 0.21 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3ixq h LEU 39 Cb -0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3ixq h LEU 39 CO -0.04 0.49 0.44 1.23 -0.34 0.00 0.00 178.44 180.22 3ixq h GLY 40 N 0.43 1.01 0.99 3.75 0.00 -0.64 0.47 103.07 109.07 3ixq h GLY 40 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3ixq h GLY 40 CO -0.01 0.28 0.17 -0.57 0.00 0.00 0.00 176.54 176.41 3ixq h ASN 41 N 0.86 0.31 -0.61 0.19 -0.73 -0.85 -1.80 115.58 112.95 3ixq h ASN 41 Ca 0.28 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 3ixq h ASN 41 Cb 0.01 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 3ixq h ASN 41 CO -0.11 0.25 0.27 -0.09 -0.37 0.00 0.00 177.43 177.38 3ixq h ARG 42 N 0.34 0.90 -0.95 6.67 2.43 -0.71 -0.03 114.38 123.04 3ixq h ARG 42 Ca 0.10 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3ixq h ARG 42 Cb -0.01 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.34 3ixq h ARG 42 CO -0.02 0.75 0.63 0.82 -1.51 0.00 0.00 179.97 180.63 3ixq h ILE 43 N 0.85 1.23 0.16 1.20 2.04 -0.70 -1.47 117.51 120.81 3ixq h ILE 43 Ca 0.21 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3ixq h ILE 43 Cb 0.16 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3ixq h ILE 43 CO -0.02 0.23 -0.08 -0.09 0.00 0.00 0.00 178.15 178.19 3ixq h ARG 44 N 1.27 -0.20 0.00 2.37 2.43 -0.96 -1.04 114.38 118.24 3ixq h ARG 44 Ca 0.35 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3ixq h ARG 44 Cb -0.13 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3ixq h ARG 44 CO -0.08 0.22 -0.29 1.49 -1.51 0.00 0.00 179.97 179.79 3ixq h GLU 45 N -0.73 0.00 -0.04 0.20 4.57 -0.89 -2.99 114.58 114.68 3ixq h GLU 45 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3ixq h GLU 45 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3ixq h GLU 45 CO 0.04 0.29 0.00 0.39 -1.18 0.00 0.00 179.01 178.55 3ixq n GLU 46 N -3.48 0.85 -3.79 1.92 1.02 -0.57 -5.02 120.64 111.58 3ixq n GLU 46 Ca -0.00 -1.29 -0.26 0.00 -0.02 0.00 0.00 57.16 55.59 3ixq n GLU 46 Cb 0.46 -1.24 0.01 0.00 -0.02 0.00 0.00 31.44 30.66 3ixq n GLU 46 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ixq n GLU 47 N 0.67 -3.10 -2.75 3.49 1.02 -0.45 -4.96 120.64 114.56 3ixq n GLU 47 Ca 0.08 0.49 -0.33 0.00 -0.02 0.00 0.00 57.16 57.38 3ixq n GLU 47 Cb 0.31 -4.61 -0.06 0.00 -0.02 0.00 0.00 31.44 27.06 3ixq n GLU 47 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ixq s LEU 48 N -6.70 3.87 -0.76 -4.62 1.43 -0.88 -5.01 118.68 106.00 3ixq s LEU 48 Ca 0.15 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.70 3ixq s LEU 48 Cb -0.05 -4.44 0.20 0.00 0.03 0.00 0.00 46.19 41.93 3ixq s LEU 48 CO 0.86 -0.40 0.69 -0.89 0.23 0.00 0.00 176.35 176.83 3ixq s THR 49 N -2.28 5.30 -0.02 5.49 2.01 -1.26 -4.92 115.64 119.95 3ixq s THR 49 Ca 0.60 -2.42 0.02 0.00 0.31 0.00 0.00 61.69 60.19 3ixq s THR 49 Cb -0.09 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.11 3ixq s THR 49 CO 0.19 -0.99 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.38 3ixq s VAL 50 N 0.31 0.60 0.26 3.82 1.01 -1.26 -0.23 120.40 124.90 3ixq s VAL 50 Ca 0.16 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.99 3ixq s VAL 50 Cb -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3ixq s VAL 50 CO -0.07 0.20 -0.02 -0.36 0.00 0.00 0.00 175.10 174.85 3ixq s PHE 51 N 0.31 2.68 0.20 5.22 0.08 -0.76 -4.37 117.98 121.34 3ixq s PHE 51 Ca -0.04 -0.22 0.11 0.00 0.12 0.00 0.00 56.93 56.90 3ixq s PHE 51 Cb -0.08 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 3ixq s PHE 51 CO 0.00 0.62 -0.23 0.20 -0.10 0.00 0.00 175.22 175.71 3ixq s GLY 52 N -3.58 1.70 -0.12 4.36 0.00 0.49 -0.57 107.32 109.59 3ixq s GLY 52 Ca 0.31 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3ixq s GLY 52 CO 0.19 -1.70 -0.12 -0.42 0.00 0.00 0.00 173.10 171.05 3ixq s ILE 53 N -1.87 1.31 0.39 0.90 1.01 -0.14 -0.72 121.20 122.09 3ixq s ILE 53 Ca 0.22 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 3ixq s ILE 53 Cb -0.07 -1.25 -0.10 0.00 0.01 0.00 0.00 42.46 41.05 3ixq s ILE 53 CO 0.10 0.41 0.85 -2.16 0.00 0.00 0.00 174.94 174.15 3ixq s PRO 54 N 1.39 4.09 0.00 2.79 0.04 -1.26 -0.44 135.00 141.60 3ixq s PRO 54 Ca 0.01 0.88 0.24 0.00 0.04 0.00 0.00 61.00 62.17 3ixq s PRO 54 Cb -0.13 -2.29 0.19 0.00 0.04 0.00 0.00 34.50 32.30 3ixq s PRO 54 CO -0.07 0.03 1.25 0.25 0.04 0.00 0.00 177.00 178.50 3ixq n THR 55 N -0.62 0.00 -3.61 1.26 -2.24 -0.71 -4.86 114.28 103.49 3ixq n THR 55 Ca 0.05 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.28 3ixq n THR 55 Cb 0.54 1.49 -0.02 0.00 -2.10 0.00 0.00 70.33 70.24 3ixq n THR 55 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ixq s SER 56 N -1.98 -0.25 0.44 3.42 1.04 -1.26 -3.80 113.70 111.32 3ixq s SER 56 Ca 0.28 -0.16 0.13 0.00 0.48 0.00 0.00 55.95 56.68 3ixq s SER 56 Cb 0.20 0.38 0.98 0.00 0.10 0.00 0.00 66.02 67.68 3ixq s SER 56 CO 0.30 -0.66 2.00 -0.26 0.98 0.00 0.00 173.24 175.60 3ixq h PHE 57 N 2.00 0.07 0.03 5.02 0.04 -1.97 -1.30 116.94 120.83 3ixq h PHE 57 Ca -0.22 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.56 3ixq h PHE 57 Cb 1.23 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 3ixq h PHE 57 CO 0.31 0.20 -0.14 1.49 -0.60 0.00 0.00 178.31 179.57 3ixq h GLU 58 N 0.07 -0.24 -0.77 1.51 4.81 -1.97 -0.85 114.58 117.14 3ixq h GLU 58 Ca 0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ixq h GLU 58 Cb 0.27 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 3ixq h GLU 58 CO 0.02 -0.16 0.44 0.00 -0.73 0.00 0.00 179.01 178.58 3ixq h ALA 59 N 0.67 1.34 -0.21 2.92 0.00 -1.68 -0.90 119.26 121.40 3ixq h ALA 59 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ixq h ALA 59 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ixq h ALA 59 CO -0.12 0.56 0.08 -0.22 0.00 0.00 0.00 179.25 179.55 3ixq h LYS 60 N 1.06 0.31 -0.62 0.00 3.64 -0.97 -1.06 116.57 118.93 3ixq h LYS 60 Ca 0.27 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3ixq h LYS 60 Cb -0.02 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3ixq h LYS 60 CO -0.05 0.37 0.29 0.52 -2.27 0.00 0.00 179.45 178.32 3ixq h MET 61 N 0.18 0.89 -0.59 1.90 2.86 -0.76 -1.56 114.93 117.86 3ixq h MET 61 Ca 0.07 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3ixq h MET 61 Cb 0.18 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3ixq h MET 61 CO -0.01 0.72 -0.04 -0.07 1.06 0.00 0.00 176.91 178.58 3ixq h LEU 62 N 0.85 1.05 -0.74 1.22 3.38 -1.12 -1.21 115.31 118.73 3ixq h LEU 62 Ca 0.21 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ixq h LEU 62 Cb 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3ixq h LEU 62 CO -0.03 1.12 0.45 0.00 0.09 0.00 0.00 178.44 180.07 3ixq h ALA 63 N 0.97 0.99 -0.20 1.53 0.00 -0.99 0.47 119.26 122.03 3ixq h ALA 63 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ixq h ALA 63 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ixq h ALA 63 CO 0.04 0.19 0.12 1.98 0.00 0.00 0.00 179.25 181.58 3ixq h MET 64 N 0.85 0.28 -1.01 0.00 1.85 -1.06 0.12 114.93 115.96 3ixq h MET 64 Ca 0.32 -0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.40 3ixq h MET 64 Cb 0.11 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.03 3ixq h MET 64 CO -0.15 0.24 0.66 0.37 -0.40 0.00 0.00 176.91 177.63 3ixq h GLN 65 N 0.24 1.27 -0.57 0.39 4.15 -0.60 -2.39 115.11 117.60 3ixq h GLN 65 Ca 0.07 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ixq h GLN 65 Cb 0.03 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.44 3ixq h GLN 65 CO -0.01 0.84 0.00 0.66 -1.93 0.00 0.00 178.83 178.39 3ixq n TYR 66 N -4.41 1.46 -3.49 3.99 4.01 0.10 -4.97 117.16 113.84 3ixq n TYR 66 Ca 0.13 -0.66 -0.20 0.00 -0.16 0.00 0.00 57.90 57.01 3ixq n TYR 66 Cb 0.06 -0.28 0.08 0.00 -0.31 0.00 0.00 39.34 38.89 3ixq n TYR 66 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ixq n GLU 67 N 0.81 -7.17 -3.53 -0.72 1.02 0.16 -4.46 120.64 106.75 3ixq n GLU 67 Ca 0.25 0.81 -0.39 0.00 -0.02 0.00 0.00 57.16 57.81 3ixq n GLU 67 Cb 0.91 -5.77 -0.10 0.00 -0.02 0.00 0.00 31.44 26.46 3ixq n GLU 67 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ixq s ILE 68 N -3.33 5.27 0.14 -3.67 1.01 0.18 -4.98 121.20 115.83 3ixq s ILE 68 Ca 0.32 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.77 3ixq s ILE 68 Cb -0.14 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 3ixq s ILE 68 CO 0.71 0.14 1.57 -2.84 0.00 0.00 0.00 174.94 174.52 3ixq s PRO 69 N 1.82 4.22 -0.17 2.79 0.02 -1.26 -4.54 135.00 137.87 3ixq s PRO 69 Ca 0.08 2.34 -0.07 0.00 0.02 0.00 0.00 61.00 63.37 3ixq s PRO 69 Cb -0.16 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 3ixq s PRO 69 CO 0.11 -0.62 0.08 -0.51 -0.33 0.00 0.00 177.00 175.73 3ixq s LEU 70 N 1.41 3.93 0.00 -5.54 1.43 -1.26 -0.38 118.68 118.27 3ixq s LEU 70 Ca 0.70 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3ixq s LEU 70 Cb -0.43 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3ixq s LEU 70 CO 0.31 0.22 0.01 1.33 0.23 0.00 0.00 176.35 178.46 3ixq n VAL 71 N 3.24 0.00 -5.19 -1.59 0.24 0.10 -4.93 118.33 110.20 3ixq n VAL 71 Ca -0.17 -0.40 -0.31 0.00 -2.04 0.00 0.00 64.34 61.41 3ixq n VAL 71 Cb 0.53 -0.01 -0.15 0.00 -1.47 0.00 0.00 33.84 32.73 3ixq n VAL 71 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ixq s THR 72 N -1.15 2.32 0.43 3.34 2.01 -1.26 -4.49 115.64 116.85 3ixq s THR 72 Ca 0.01 -1.01 0.19 0.00 0.31 0.00 0.00 61.69 61.19 3ixq s THR 72 Cb -0.00 -1.84 0.22 0.00 0.01 0.00 0.00 72.50 70.89 3ixq s THR 72 CO 0.01 0.58 2.01 0.25 -0.69 0.00 0.00 174.62 176.77 3ixq h LEU 73 N 5.43 0.00 -2.27 4.42 5.85 -1.97 -0.64 115.31 126.13 3ixq h LEU 73 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3ixq h LEU 73 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3ixq h LEU 73 CO 0.48 0.18 0.00 0.44 -0.34 0.00 0.00 178.44 179.19 3ixq h ASP 74 N 0.00 0.00 0.00 1.25 3.32 -2.03 -3.20 116.42 115.76 3ixq h ASP 74 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3ixq h ASP 74 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3ixq h ASP 74 CO 0.02 0.00 -1.61 -0.62 -1.72 0.00 0.00 179.24 175.31 3ixq n GLU 75 N -2.97 2.04 -4.50 3.56 1.02 -0.59 -5.06 120.64 114.15 3ixq n GLU 75 Ca -0.01 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.90 3ixq n GLU 75 Cb 0.15 -1.24 -0.15 0.00 -0.02 0.00 0.00 31.44 30.18 3ixq n GLU 75 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ixq s TYR 76 N -2.32 1.02 0.58 -0.32 2.02 -0.35 -5.04 117.35 112.94 3ixq s TYR 76 Ca -0.04 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.32 3ixq s TYR 76 Cb 0.04 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 3ixq s TYR 76 CO 0.39 -0.02 1.02 -0.51 -1.57 0.00 0.00 175.55 174.86 3ixq s ASP 77 N -0.28 6.27 -0.21 2.29 1.01 -1.26 -4.27 116.67 120.21 3ixq s ASP 77 Ca 0.04 1.54 -0.12 0.00 0.71 0.00 0.00 52.55 54.72 3ixq s ASP 77 Cb -0.04 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3ixq s ASP 77 CO -0.00 -0.84 0.24 -0.69 0.21 0.00 0.00 175.17 174.08 3ixq s VAL 78 N -2.87 5.32 -0.02 -1.27 1.01 -1.26 -4.72 120.40 116.58 3ixq s VAL 78 Ca 0.58 0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 3ixq s VAL 78 Cb -0.11 -3.57 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3ixq s VAL 78 CO 0.43 0.34 0.95 0.44 0.00 0.00 0.00 175.10 177.26 3ixq h ASP 79 N 7.25 -0.41 -3.42 3.32 3.32 -1.35 0.56 116.42 125.68 3ixq h ASP 79 Ca -0.38 -0.14 -0.40 0.00 0.02 0.00 0.00 57.03 56.13 3ixq h ASP 79 Cb 1.16 0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.47 3ixq h ASP 79 CO 0.70 0.02 -0.76 -0.63 -1.72 0.00 0.00 179.24 176.85 3ixq s ILE 80 N -3.96 0.40 -0.20 0.35 1.01 -1.21 -1.61 121.20 115.99 3ixq s ILE 80 Ca -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 3ixq s ILE 80 Cb 0.01 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 3ixq s ILE 80 CO 0.42 0.21 0.12 0.00 0.00 0.00 0.00 174.94 175.69 3ixq s ALA 81 N 1.19 3.61 -0.14 9.38 0.00 0.11 -0.84 121.76 135.06 3ixq s ALA 81 Ca -0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 3ixq s ALA 81 Cb -0.14 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 3ixq s ALA 81 CO -0.02 0.13 -0.06 -0.06 0.00 0.00 0.00 175.76 175.75 3ixq s PHE 82 N 0.44 2.97 0.13 0.00 0.08 -0.53 -0.33 117.98 120.73 3ixq s PHE 82 Ca 0.07 -0.34 -0.17 0.00 0.12 0.00 0.00 56.93 56.61 3ixq s PHE 82 Cb -0.12 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.47 3ixq s PHE 82 CO -0.01 -0.03 0.43 0.34 -0.10 0.00 0.00 175.22 175.85 3ixq s ASP 83 N 0.22 -0.28 0.72 1.36 -1.08 -0.78 -0.60 116.67 116.22 3ixq s ASP 83 Ca -0.04 -0.28 -0.02 0.00 -0.52 0.00 0.00 52.55 51.69 3ixq s ASP 83 Cb -0.14 0.50 0.12 0.00 -1.46 0.00 0.00 42.92 41.94 3ixq s ASP 83 CO 0.03 -0.88 0.82 0.61 0.52 0.00 0.00 175.17 176.27 3ixq n GLY 84 N -0.25 0.33 3.32 2.66 0.00 -1.26 0.08 105.19 110.07 3ixq n GLY 84 Ca -0.16 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 3ixq n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixq s ALA 85 N -3.23 -1.04 0.11 4.61 0.00 -1.26 -4.81 121.76 116.14 3ixq s ALA 85 Ca 0.53 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 3ixq s ALA 85 Cb -0.03 0.14 -0.17 0.00 0.00 0.00 0.00 23.12 23.06 3ixq s ALA 85 CO 0.35 -0.34 1.24 -0.44 0.00 0.00 0.00 175.76 176.58 3ixq h ASP 86 N 3.45 0.43 -4.16 0.00 3.32 -1.22 -3.46 116.42 114.78 3ixq h ASP 86 Ca -0.30 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.20 3ixq h ASP 86 Cb 1.18 -0.14 -0.24 0.00 0.22 0.00 0.00 39.33 40.35 3ixq h ASP 86 CO 0.41 1.25 -0.41 -1.61 -1.72 0.00 0.00 179.24 177.16 3ixq s GLU 87 N -2.97 0.38 -0.17 3.56 2.02 -1.01 -4.81 118.70 115.70 3ixq s GLU 87 Ca -0.04 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.12 3ixq s GLU 87 Cb 0.08 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.52 3ixq s GLU 87 CO 0.87 -0.07 -0.12 0.08 0.02 0.00 0.00 175.26 176.04 3ixq s VAL 88 N -0.30 1.55 -0.05 2.63 1.01 -0.05 -1.78 120.40 123.41 3ixq s VAL 88 Ca -0.04 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 3ixq s VAL 88 Cb -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3ixq s VAL 88 CO 0.01 0.31 1.17 -0.70 0.00 0.00 0.00 175.10 175.89 3ixq s GLU 89 N 1.47 4.37 0.22 2.72 2.12 0.53 -0.44 118.70 129.69 3ixq s GLU 89 Ca 0.02 1.64 -0.08 0.00 0.36 0.00 0.00 54.97 56.91 3ixq s GLU 89 Cb -0.14 -3.53 0.27 0.00 0.26 0.00 0.00 34.13 30.98 3ixq s GLU 89 CO -0.09 -0.40 1.82 0.93 -0.54 0.00 0.00 175.26 176.97 3ixq h GLU 90 N 7.33 0.73 0.00 4.30 5.08 -1.04 0.58 114.58 131.56 3ixq h GLU 90 Ca -0.35 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.81 3ixq h GLU 90 Cb 1.17 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 3ixq h GLU 90 CO 0.87 0.48 -0.96 1.79 -1.00 0.00 0.00 179.01 180.19 3ixq h THR 91 N 0.75 0.98 0.00 1.13 1.35 -1.86 -3.36 112.91 111.90 3ixq h THR 91 Ca 0.32 -2.50 -0.05 0.00 -0.55 0.00 0.00 66.41 63.63 3ixq h THR 91 Cb 0.20 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3ixq h THR 91 CO -0.18 0.56 -1.65 0.35 -0.25 0.00 0.00 175.52 174.34 3ixq n THR 92 N -3.15 0.19 -1.57 6.82 -2.24 -1.17 -4.98 114.28 108.17 3ixq n THR 92 Ca -0.03 -0.35 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 3ixq n THR 92 Cb 0.84 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 3ixq n THR 92 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ixq n LEU 93 N -2.07 -1.39 -4.75 3.22 4.77 0.19 -4.99 117.00 111.97 3ixq n LEU 93 Ca -0.06 0.49 -0.34 0.00 -0.03 0.00 0.00 56.01 56.06 3ixq n LEU 93 Cb 0.47 -2.82 0.05 0.00 -2.33 0.00 0.00 43.42 38.79 3ixq n LEU 93 CO 0.27 -1.07 0.79 -0.36 -1.33 0.00 0.00 177.39 175.69 3ixq s PHE 94 N -2.67 2.40 0.21 -1.77 0.08 -1.25 -4.72 117.98 110.27 3ixq s PHE 94 Ca 0.00 1.55 0.10 0.00 0.12 0.00 0.00 56.93 58.70 3ixq s PHE 94 Cb 0.00 -3.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 3ixq s PHE 94 CO 0.00 -2.07 -0.19 -0.51 -0.10 0.00 0.00 175.22 172.35 3ixq s LEU 95 N -4.58 2.51 -0.13 -0.37 1.43 -0.07 -0.35 118.68 117.11 3ixq s LEU 95 Ca 0.73 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ixq s LEU 95 Cb -0.26 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 3ixq s LEU 95 CO 0.38 -0.01 -0.08 -0.63 0.23 0.00 0.00 176.35 176.24 3ixq s ILE 96 N -2.31 3.48 0.27 -0.59 1.01 -0.74 -1.32 121.20 121.01 3ixq s ILE 96 Ca 0.22 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3ixq s ILE 96 Cb -0.05 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 3ixq s ILE 96 CO 0.10 0.52 0.04 -0.54 0.00 0.00 0.00 174.94 175.06 3ixq s LYS 97 N 0.19 1.48 0.00 2.79 1.02 0.23 -0.59 119.74 124.87 3ixq s LYS 97 Ca -0.05 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.15 3ixq s LYS 97 Cb -0.14 -0.66 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 3ixq s LYS 97 CO 0.04 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 3ixq n GLY 98 N -0.54 0.91 0.35 -3.33 0.00 -1.26 -4.22 105.19 97.10 3ixq n GLY 98 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.14 3ixq n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ixq h GLY 99 N 0.00 1.84 -1.19 -0.02 0.00 -1.93 -0.20 103.07 101.57 3ixq h GLY 99 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3ixq h GLY 99 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.01 3ixq n GLY 100 N -1.32 0.53 1.86 4.60 0.00 -1.26 -4.94 105.19 104.65 3ixq n GLY 100 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ixq n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixq n GLY 101 N 0.97 0.65 0.35 -0.02 0.00 -0.09 -4.91 105.19 102.14 3ixq n GLY 101 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3ixq n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixq h HIS 103 N 0.55 0.33 0.92 0.00 -0.00 -1.88 -2.32 115.15 112.75 3ixq h HIS 103 Ca 0.01 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 3ixq h HIS 103 Cb 1.13 -0.11 0.01 0.00 -0.00 0.00 0.00 27.41 28.44 3ixq h HIS 103 CO 0.21 0.20 -0.44 1.15 -0.00 0.00 0.00 177.93 179.05 3ixq h THR 104 N 0.35 0.00 -0.68 6.12 2.02 -1.90 0.13 112.91 118.95 3ixq h THR 104 Ca 0.10 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3ixq h THR 104 Cb -0.02 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.36 3ixq h THR 104 CO -0.02 0.00 0.41 1.56 0.37 0.00 0.00 175.52 177.84 3ixq h GLN 105 N -1.33 0.92 -0.32 6.66 1.08 -1.79 -1.86 115.11 118.46 3ixq h GLN 105 Ca -0.13 -0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.05 3ixq h GLN 105 Cb 0.95 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.13 3ixq h GLN 105 CO 0.21 0.65 -0.02 0.93 -0.95 0.00 0.00 178.83 179.64 3ixq h GLU 106 N 0.94 0.06 -0.56 1.46 5.08 -1.32 -2.06 114.58 118.17 3ixq h GLU 106 Ca 0.25 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3ixq h GLU 106 Cb -0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ixq h GLU 106 CO -0.05 0.04 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.71 3ixq h LYS 107 N 0.06 1.05 -0.48 2.33 3.64 -0.35 0.32 116.57 123.14 3ixq h LYS 107 Ca 0.15 -0.37 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3ixq h LYS 107 Cb 0.22 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3ixq h LYS 107 CO -0.28 1.07 0.14 0.82 -2.27 0.00 0.00 179.45 178.93 3ixq h ILE 108 N 0.93 0.80 0.05 2.00 2.04 -1.17 -1.28 117.51 120.89 3ixq h ILE 108 Ca 0.15 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3ixq h ILE 108 Cb 0.65 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3ixq h ILE 108 CO 0.04 0.06 -0.03 0.58 0.00 0.00 0.00 178.15 178.80 3ixq h VAL 109 N 0.30 1.30 -0.20 1.67 2.07 -1.11 -3.29 116.25 116.99 3ixq h VAL 109 Ca 0.23 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.20 3ixq h VAL 109 Cb 0.26 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3ixq h VAL 109 CO -0.26 0.34 -0.38 0.44 0.02 0.00 0.00 177.57 177.74 3ixq h ASP 110 N -0.74 0.67 0.59 0.57 3.32 -0.21 -2.08 116.42 118.54 3ixq h ASP 110 Ca -0.01 -0.55 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 3ixq h ASP 110 Cb 0.62 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3ixq h ASP 110 CO 0.01 1.09 -0.24 1.88 -1.72 0.00 0.00 179.24 180.26 3ixq h TYR 111 N 0.28 0.00 -0.00 4.55 -1.99 -1.42 -3.03 116.97 115.35 3ixq h TYR 111 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3ixq h TYR 111 Cb 0.98 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.71 3ixq h TYR 111 CO 0.09 0.24 -0.49 0.09 -0.00 0.00 0.00 178.16 178.09 3ixq n ASN 112 N -3.65 0.77 -4.78 3.88 3.02 -0.99 -4.94 115.26 108.57 3ixq n ASN 112 Ca -0.01 -0.57 -0.36 0.00 -0.03 0.00 0.00 54.58 53.61 3ixq n ASN 112 Cb 0.37 0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.84 3ixq n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ixq s ALA 113 N -2.84 2.89 0.21 5.41 0.00 -0.82 -4.68 121.76 121.93 3ixq s ALA 113 Ca 0.15 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.83 3ixq s ALA 113 Cb 0.18 -3.34 0.19 0.00 0.00 0.00 0.00 23.12 20.15 3ixq s ALA 113 CO 0.66 -0.58 1.84 -0.97 0.00 0.00 0.00 175.76 176.72 3ixq h ASN 114 N 1.78 0.71 -3.39 0.00 -1.24 -0.95 -3.41 115.58 109.09 3ixq h ASN 114 Ca -0.49 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.05 3ixq h ASN 114 Cb 1.24 -0.15 -0.35 0.00 0.73 0.00 0.00 38.32 39.80 3ixq h ASN 114 CO 0.59 0.49 -0.79 -0.70 -1.29 0.00 0.00 177.43 175.73 3ixq s GLU 115 N -6.11 1.24 -0.28 6.67 2.12 -0.63 -5.03 118.70 116.67 3ixq s GLU 115 Ca -0.13 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 3ixq s GLU 115 Cb 0.15 -1.17 0.02 0.00 0.26 0.00 0.00 34.13 33.39 3ixq s GLU 115 CO 0.77 -0.09 0.03 0.12 -0.54 0.00 0.00 175.26 175.55 3ixq s PHE 116 N 1.03 3.13 -0.20 5.30 5.36 -1.26 0.04 117.98 131.37 3ixq s PHE 116 Ca -0.09 -1.20 -0.02 0.00 -0.96 0.00 0.00 56.93 54.66 3ixq s PHE 116 Cb -0.14 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.35 3ixq s PHE 116 CO -0.00 -0.64 -0.10 0.08 -1.46 0.00 0.00 175.22 173.10 3ixq s VAL 117 N 1.43 2.86 -0.04 3.12 1.01 0.55 -1.49 120.40 127.84 3ixq s VAL 117 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3ixq s VAL 117 Cb -0.17 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3ixq s VAL 117 CO 0.00 0.47 0.37 -0.69 0.00 0.00 0.00 175.10 175.25 3ixq s VAL 118 N 1.40 5.13 -0.21 2.92 1.01 -0.35 -1.87 120.40 128.43 3ixq s VAL 118 Ca 0.05 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 3ixq s VAL 118 Cb -0.14 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3ixq s VAL 118 CO -0.07 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.71 3ixq s LEU 119 N -0.84 2.63 0.05 3.92 1.43 0.11 -0.43 118.68 125.55 3ixq s LEU 119 Ca 0.22 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3ixq s LEU 119 Cb -0.16 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3ixq s LEU 119 CO 0.11 -0.03 0.05 0.68 0.23 0.00 0.00 176.35 177.39 3ixq s VAL 120 N 1.37 0.17 0.62 -1.59 -7.23 -0.57 -4.13 120.40 109.03 3ixq s VAL 120 Ca 0.04 -1.38 -0.07 0.00 -1.81 0.00 0.00 61.98 58.77 3ixq s VAL 120 Cb -0.14 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.66 3ixq s VAL 120 CO -0.08 -0.76 0.95 1.51 -0.31 0.00 0.00 175.10 176.41 3ixq s ASP 121 N -2.49 5.50 0.58 4.85 -4.77 -1.26 -0.58 116.67 118.49 3ixq s ASP 121 Ca 0.00 0.77 0.27 0.00 -3.30 0.00 0.00 52.55 50.30 3ixq s ASP 121 Cb 0.03 -1.70 1.68 0.00 -1.09 0.00 0.00 42.92 41.83 3ixq s ASP 121 CO -0.07 -1.16 2.18 -0.08 0.70 0.00 0.00 175.17 176.74 3ixq h GLU 122 N -0.30 0.00 0.00 2.11 4.81 -1.47 -2.40 114.58 117.33 3ixq h GLU 122 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ixq h GLU 122 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3ixq h GLU 122 CO 0.61 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 3ixq h SER 123 N 0.00 0.00 1.45 1.04 4.64 -1.94 -2.62 113.55 116.12 3ixq h SER 123 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ixq h SER 123 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ixq h SER 123 CO -0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 3ixq h LYS 124 N 0.00 0.00 -6.59 4.77 1.79 -1.74 -3.45 116.57 111.35 3ixq h LYS 124 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3ixq h LYS 124 Cb 0.18 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.85 3ixq h LYS 124 CO 0.00 0.00 0.63 -0.51 -1.08 0.00 0.00 179.45 178.49 3ixq s LEU 125 N -4.78 4.40 0.11 2.94 1.43 -0.99 -0.87 118.68 120.92 3ixq s LEU 125 Ca 0.09 2.25 0.06 0.00 -1.03 0.00 0.00 54.13 55.50 3ixq s LEU 125 Cb 0.11 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 3ixq s LEU 125 CO 0.58 -0.52 -0.14 0.68 0.23 0.00 0.00 176.35 177.18 3ixq s VAL 126 N 0.62 1.28 0.04 -1.59 -7.23 0.41 -4.90 120.40 109.04 3ixq s VAL 126 Ca 0.59 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 3ixq s VAL 126 Cb -0.34 -1.47 -0.26 0.00 0.56 0.00 0.00 36.38 34.87 3ixq s VAL 126 CO 0.33 -0.40 1.11 0.11 -0.31 0.00 0.00 175.10 175.94 3ixq h LYS 127 N 3.62 0.58 -4.35 4.82 1.57 -1.96 0.98 116.57 121.84 3ixq h LYS 127 Ca -0.40 -0.71 -0.54 0.00 -1.87 0.00 0.00 60.65 57.13 3ixq h LYS 127 Cb 1.19 0.22 -0.36 0.00 0.08 0.00 0.00 32.23 33.36 3ixq h LYS 127 CO 0.49 1.30 -0.81 0.21 -0.57 0.00 0.00 179.45 180.07 3ixq s LYS 128 N -3.09 1.69 0.24 3.15 2.47 -1.26 -4.56 119.74 118.38 3ixq s LYS 128 Ca -0.11 -0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 53.67 3ixq s LYS 128 Cb 0.05 -1.65 -0.11 0.00 -1.46 0.00 0.00 37.83 34.66 3ixq s LYS 128 CO 0.90 -0.22 1.53 -1.17 0.16 0.00 0.00 175.35 176.55 3ixq s LEU 129 N 1.51 4.37 0.00 5.43 2.96 -1.26 -2.74 118.68 128.95 3ixq s LEU 129 Ca 0.02 2.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 3ixq s LEU 129 Cb -0.13 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3ixq s LEU 129 CO -0.07 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.77 3ixq n GLY 130 N 2.66 0.95 0.34 7.98 0.00 -1.26 -4.43 105.19 111.42 3ixq n GLY 130 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3ixq n GLY 130 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ixq h GLU 131 N 2.82 1.19 0.00 1.61 4.57 -1.78 -3.34 114.58 119.65 3ixq h GLU 131 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3ixq h GLU 131 Cb 0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 3ixq h GLU 131 CO 0.00 0.95 0.00 1.63 -1.18 0.00 0.00 179.01 180.41 3ixq n LYS 132 N -4.30 0.28 -3.94 1.92 5.02 -1.26 -5.02 118.16 110.86 3ixq n LYS 132 Ca 0.07 -0.78 -0.15 0.00 -2.02 0.00 0.00 58.31 55.43 3ixq n LYS 132 Cb 0.18 -0.97 -0.15 0.00 -0.02 0.00 0.00 35.03 34.07 3ixq n LYS 132 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ixq s PHE 133 N -0.30 0.24 0.58 2.13 5.36 -1.25 -5.15 117.98 119.57 3ixq s PHE 133 Ca 0.00 -0.00 -0.14 0.00 -0.96 0.00 0.00 56.93 55.83 3ixq s PHE 133 Cb 0.00 -0.27 -0.05 0.00 -0.34 0.00 0.00 43.02 42.36 3ixq s PHE 133 CO 0.00 -0.07 1.01 -1.25 -1.46 0.00 0.00 175.22 173.45 3ixq s PRO 134 N 0.56 3.69 -0.27 10.12 0.04 -1.26 -4.38 135.00 143.48 3ixq s PRO 134 Ca -0.05 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.64 3ixq s PRO 134 Cb -0.08 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3ixq s PRO 134 CO -0.01 -0.49 0.86 0.42 0.04 0.00 0.00 177.00 177.81 3ixq s ILE 135 N -2.85 4.77 0.27 0.56 1.01 0.17 -4.74 121.20 120.39 3ixq s ILE 135 Ca 0.58 1.48 -0.29 0.00 0.00 0.00 0.00 60.65 62.41 3ixq s ILE 135 Cb -0.11 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 3ixq s ILE 135 CO 0.42 -0.19 1.31 -2.84 0.00 0.00 0.00 174.94 173.64 3ixq s PRO 136 N 3.00 4.38 -0.09 2.79 0.02 -1.26 -1.02 135.00 142.83 3ixq s PRO 136 Ca 0.36 2.14 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 3ixq s PRO 136 Cb -0.14 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.27 3ixq s PRO 136 CO 0.10 -0.21 -0.06 0.08 -0.33 0.00 0.00 177.00 176.58 3ixq s VAL 137 N -0.52 0.81 -0.05 3.83 1.01 0.20 -0.74 120.40 124.94 3ixq s VAL 137 Ca 0.53 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 3ixq s VAL 137 Cb -0.38 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3ixq s VAL 137 CO 0.45 0.32 0.73 -0.70 0.00 0.00 0.00 175.10 175.90 3ixq s GLU 138 N 1.58 4.45 -0.01 2.72 2.12 0.11 -0.77 118.70 128.90 3ixq s GLU 138 Ca 0.01 0.94 0.01 0.00 0.36 0.00 0.00 54.97 56.30 3ixq s GLU 138 Cb -0.13 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3ixq s GLU 138 CO -0.05 0.09 -0.04 0.14 -0.54 0.00 0.00 175.26 174.85 3ixq s VAL 139 N 0.70 0.32 0.06 3.70 -7.23 -0.03 -0.79 120.40 117.12 3ixq s VAL 139 Ca 0.39 -0.15 -0.33 0.00 -1.81 0.00 0.00 61.98 60.08 3ixq s VAL 139 Cb -0.18 -0.28 -0.12 0.00 0.56 0.00 0.00 36.38 36.36 3ixq s VAL 139 CO 0.19 0.10 1.80 -0.38 -0.31 0.00 0.00 175.10 176.51 3ixq n ILE 140 N 3.10 0.38 -0.31 -0.62 2.08 -0.01 -1.42 119.36 122.57 3ixq n ILE 140 Ca -0.14 -0.07 0.09 0.00 0.56 0.00 0.00 62.75 63.19 3ixq n ILE 140 Cb 0.58 -1.92 0.31 0.00 -0.75 0.00 0.00 39.64 37.85 3ixq n ILE 140 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3ixq h PRO 141 N 8.32 0.83 0.00 0.38 0.11 -1.91 0.29 132.00 140.02 3ixq h PRO 141 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ixq h PRO 141 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ixq h PRO 141 CO 0.93 0.55 0.00 0.66 -0.21 0.00 0.00 178.00 179.93 3ixq h SER 142 N 0.85 0.00 -0.38 -2.05 4.64 -1.98 -2.87 113.55 111.76 3ixq h SER 142 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3ixq h SER 142 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3ixq h SER 142 CO -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.73 3ixq n ALA 143 N -1.95 2.39 -0.32 5.18 0.00 0.10 -4.71 120.51 121.21 3ixq n ALA 143 Ca -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.37 3ixq n ALA 143 Cb 0.09 -0.77 0.08 0.00 0.00 0.00 0.00 19.45 18.85 3ixq n ALA 143 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3ixq h TYR 144 N 3.95 1.21 -0.26 0.00 -0.00 -1.52 -0.13 116.97 120.22 3ixq h TYR 144 Ca 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.64 3ixq h TYR 144 Cb 0.91 -0.38 -0.01 0.00 -0.00 0.00 0.00 36.73 37.25 3ixq h TYR 144 CO 0.24 0.85 -0.00 -0.09 -0.00 0.00 0.00 178.16 179.17 3ixq h ARG 145 N 1.21 0.46 -0.03 0.10 2.43 -1.86 -0.73 114.38 115.95 3ixq h ARG 145 Ca 0.30 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 3ixq h ARG 145 Cb 0.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3ixq h ARG 145 CO -0.04 0.62 -0.55 -0.39 -1.51 0.00 0.00 179.97 178.10 3ixq h VAL 146 N 0.24 1.38 -0.30 0.20 -1.51 -1.81 -1.69 116.25 112.76 3ixq h VAL 146 Ca 0.07 -1.87 -0.07 0.00 -1.23 0.00 0.00 66.70 63.60 3ixq h VAL 146 Cb 0.42 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 3ixq h VAL 146 CO 0.01 0.54 -0.08 0.58 -1.23 0.00 0.00 177.57 177.39 3ixq h VAL 147 N 0.08 1.28 -0.59 7.19 2.07 -0.87 -1.08 116.25 124.33 3ixq h VAL 147 Ca -0.00 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.48 3ixq h VAL 147 Cb 0.99 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 3ixq h VAL 147 CO 0.08 0.36 0.23 0.40 0.02 0.00 0.00 177.57 178.65 3ixq h ILE 148 N 0.36 0.79 -0.12 4.57 2.04 -1.01 0.09 117.51 124.23 3ixq h ILE 148 Ca 0.08 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3ixq h ILE 148 Cb 0.57 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3ixq h ILE 148 CO 0.03 0.08 0.01 -0.09 0.00 0.00 0.00 178.15 178.18 3ixq h ARG 149 N 0.41 0.05 -0.70 2.37 2.43 -1.19 0.01 114.38 117.76 3ixq h ARG 149 Ca 0.29 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3ixq h ARG 149 Cb 0.35 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3ixq h ARG 149 CO -0.29 0.04 0.45 0.00 -1.51 0.00 0.00 179.97 178.65 3ixq h ALA 150 N 1.09 0.90 -0.55 2.80 0.00 -0.67 0.03 119.26 122.86 3ixq h ALA 150 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3ixq h ALA 150 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ixq h ALA 150 CO -0.08 0.25 -0.11 -0.07 0.00 0.00 0.00 179.25 179.23 3ixq h LEU 151 N 0.89 1.04 -0.58 0.00 3.38 -0.81 -1.60 115.31 117.63 3ixq h LEU 151 Ca 0.27 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ixq h LEU 151 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3ixq h LEU 151 CO -0.09 1.15 0.34 -1.28 0.09 0.00 0.00 178.44 178.66 3ixq h SER 152 N 0.92 0.71 0.83 -0.43 0.87 -0.71 -0.43 113.55 115.31 3ixq h SER 152 Ca 0.14 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3ixq h SER 152 Cb 0.68 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3ixq h SER 152 CO 0.05 0.57 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.52 3ixq h GLU 153 N 0.79 0.00 -0.00 2.24 5.08 -0.65 0.08 114.58 122.12 3ixq h GLU 153 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3ixq h GLU 153 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ixq h GLU 153 CO -0.04 0.07 -0.02 -1.33 -1.00 0.00 0.00 179.01 176.70 3ixq n MET 154 N -3.23 0.78 0.00 2.33 2.81 -0.63 -4.91 117.12 114.26 3ixq n MET 154 Ca -0.00 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3ixq n MET 154 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3ixq n MET 154 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ixq n GLY 155 N 1.16 0.67 3.87 3.03 0.00 0.02 -5.01 105.19 108.92 3ixq n GLY 155 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3ixq n GLY 155 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ixq s GLY 156 N -1.14 1.91 -0.48 -0.02 0.00 -0.20 -4.84 107.32 102.55 3ixq s GLY 156 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.52 3ixq s GLY 156 CO 0.00 0.15 0.38 1.85 0.00 0.00 0.00 173.10 175.48 3ixq s GLU 157 N -4.17 2.78 -0.12 2.90 2.12 -0.38 -4.09 118.70 117.74 3ixq s GLU 157 Ca 0.54 -1.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.31 3ixq s GLU 157 Cb -0.10 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 3ixq s GLU 157 CO 0.35 -1.12 -0.09 0.00 -0.54 0.00 0.00 175.26 173.87 3ixq s ALA 158 N 1.52 2.83 -0.05 6.30 0.00 -1.26 -1.49 121.76 129.61 3ixq s ALA 158 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3ixq s ALA 158 Cb -0.26 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.55 3ixq s ALA 158 CO 0.03 0.31 -0.06 0.08 0.00 0.00 0.00 175.76 176.13 3ixq s VAL 159 N 0.08 0.62 0.17 0.00 1.01 0.21 -4.98 120.40 117.52 3ixq s VAL 159 Ca -0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3ixq s VAL 159 Cb -0.14 -0.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 3ixq s VAL 159 CO 0.04 0.24 1.23 0.27 0.00 0.00 0.00 175.10 176.88 3ixq s ILE 160 N 0.85 3.51 -0.14 2.22 -4.36 -1.26 -0.79 121.20 121.23 3ixq s ILE 160 Ca -0.12 1.24 -0.29 0.00 -0.26 0.00 0.00 60.65 61.22 3ixq s ILE 160 Cb -0.15 -3.79 -0.01 0.00 1.25 0.00 0.00 42.46 39.77 3ixq s ILE 160 CO 0.01 0.18 1.01 -0.60 0.24 0.00 0.00 174.94 175.78 3ixq s ARG 161 N -0.04 4.38 0.11 0.37 3.52 -0.06 -4.92 118.95 122.30 3ixq s ARG 161 Ca 0.55 1.38 0.04 0.00 -0.13 0.00 0.00 55.73 57.56 3ixq s ARG 161 Cb -0.33 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 3ixq s ARG 161 CO 0.36 -0.40 0.07 -0.51 -0.81 0.00 0.00 175.30 174.01 3ixq s LEU 162 N 2.33 3.70 0.34 -0.88 1.43 -1.26 -1.11 118.68 123.24 3ixq s LEU 162 Ca 0.47 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 3ixq s LEU 162 Cb -0.17 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 3ixq s LEU 162 CO 0.15 0.14 0.38 -0.83 0.23 0.00 0.00 176.35 176.42 3ixq s GLY 163 N -2.60 1.72 -0.06 -3.19 0.00 0.24 -4.67 107.32 98.76 3ixq s GLY 163 Ca 0.29 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.48 3ixq s GLY 163 CO 0.21 -1.49 0.02 1.22 0.00 0.00 0.00 173.10 173.06 3ixq n ASP 164 N -1.51 3.43 -0.54 1.64 8.00 -1.26 -4.55 116.55 121.76 3ixq n ASP 164 Ca -0.01 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.58 3ixq n ASP 164 Cb 0.59 0.67 0.03 0.00 -0.02 0.00 0.00 41.12 42.39 3ixq n ASP 164 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ixq n ARG 165 N -2.23 1.58 -4.02 -1.24 5.12 -1.26 -4.87 116.66 109.74 3ixq n ARG 165 Ca -0.10 -1.16 -0.12 0.00 -1.93 0.00 0.00 57.85 54.54 3ixq n ARG 165 Cb 0.70 -1.34 -0.13 0.00 -1.16 0.00 0.00 32.46 30.54 3ixq n ARG 165 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3ixq s LYS 166 N -1.85 0.34 0.19 5.56 -2.85 -1.26 -5.14 119.74 114.74 3ixq s LYS 166 Ca 0.17 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.42 3ixq s LYS 166 Cb 0.15 -0.16 -0.08 0.00 -2.06 0.00 0.00 37.83 35.68 3ixq s LYS 166 CO 0.36 0.03 1.07 1.03 0.10 0.00 0.00 175.35 177.94 3ixq s ARG 167 N -0.87 4.63 0.61 1.78 1.81 -1.26 -4.18 118.95 121.47 3ixq s ARG 167 Ca -0.07 1.69 0.00 0.00 -1.72 0.00 0.00 55.73 55.63 3ixq s ARG 167 Cb -0.06 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 3ixq s ARG 167 CO -0.00 0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 3ixq n GLY 168 N 1.87 -1.79 3.68 -3.53 0.00 -1.26 -4.92 105.19 99.24 3ixq n GLY 168 Ca 0.02 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3ixq n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ixq n PRO 169 N 0.00 2.12 -1.73 1.61 -0.02 -1.26 -0.59 135.00 135.12 3ixq n PRO 169 Ca 0.00 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3ixq n PRO 169 Cb 0.00 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.05 3ixq n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ixq n VAL 170 N 1.69 0.67 -4.61 -1.45 0.31 -0.26 -4.67 118.33 110.01 3ixq n VAL 170 Ca 0.10 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 3ixq n VAL 170 Cb 0.33 -1.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 3ixq n VAL 170 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ixq s ILE 171 N 0.39 3.54 0.92 2.52 -1.09 -1.26 -3.75 121.20 122.47 3ixq s ILE 171 Ca 0.68 -0.50 -0.13 0.00 -2.23 0.00 0.00 60.65 58.47 3ixq s ILE 171 Cb -0.51 -2.50 0.15 0.00 -1.58 0.00 0.00 42.46 38.02 3ixq s ILE 171 CO 0.43 0.54 1.16 0.42 -1.23 0.00 0.00 174.94 176.26 3ixq s THR 172 N -0.05 1.97 0.63 2.92 -4.23 0.73 -4.87 115.64 112.74 3ixq s THR 172 Ca -0.00 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 60.86 3ixq s THR 172 Cb -0.14 -2.79 0.39 0.00 1.34 0.00 0.00 72.50 71.30 3ixq s THR 172 CO 0.03 0.00 2.23 0.44 -0.54 0.00 0.00 174.62 176.78 3ixq h ASP 173 N -1.52 0.00 -0.16 3.99 3.32 -1.90 -0.47 116.42 119.68 3ixq h ASP 173 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ixq h ASP 173 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3ixq h ASP 173 CO 0.58 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.69 3ixq n ASN 174 N -3.39 2.17 0.00 6.45 3.02 -1.26 -4.97 115.26 117.28 3ixq n ASN 174 Ca -0.02 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 3ixq n ASN 174 Cb 0.17 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3ixq n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ixq n GLY 175 N 1.25 0.61 3.86 7.41 0.00 -0.18 -5.07 105.19 113.07 3ixq n GLY 175 Ca 0.17 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 3ixq n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ixq s ASN 176 N -2.24 4.95 0.59 1.61 0.01 -1.26 -4.79 114.94 113.81 3ixq s ASN 176 Ca 0.00 -0.82 -0.01 0.00 -0.71 0.00 0.00 52.86 51.32 3ixq s ASN 176 Cb 0.00 -0.49 0.04 0.00 0.41 0.00 0.00 41.25 41.20 3ixq s ASN 176 CO 0.00 -0.67 0.83 -0.04 -1.51 0.00 0.00 177.10 175.71 3ixq s MET 177 N -4.12 2.49 -0.09 -0.60 -1.94 -0.50 -0.19 119.30 114.34 3ixq s MET 177 Ca 0.47 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 3ixq s MET 177 Cb -0.02 -2.40 0.01 0.00 2.01 0.00 0.00 34.83 34.42 3ixq s MET 177 CO 0.27 -0.83 -0.18 0.42 -0.01 0.00 0.00 175.02 174.69 3ixq s ILE 178 N -2.88 1.63 -0.14 2.53 1.01 -1.25 -0.85 121.20 121.25 3ixq s ILE 178 Ca 0.57 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3ixq s ILE 178 Cb -0.10 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3ixq s ILE 178 CO 0.40 0.47 -0.02 -0.63 0.00 0.00 0.00 174.94 175.15 3ixq s ILE 179 N 0.56 4.03 -0.18 2.92 1.01 0.05 -0.89 121.20 128.71 3ixq s ILE 179 Ca -0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 3ixq s ILE 179 Cb -0.17 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3ixq s ILE 179 CO 0.05 0.51 0.05 -1.81 0.00 0.00 0.00 174.94 173.75 3ixq s ASP 180 N 0.12 5.54 -0.12 3.58 1.01 0.03 0.58 116.67 127.41 3ixq s ASP 180 Ca -0.00 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.31 3ixq s ASP 180 Cb -0.13 -1.95 0.03 0.00 1.01 0.00 0.00 42.92 41.88 3ixq s ASP 180 CO 0.02 0.17 -0.06 0.54 0.21 0.00 0.00 175.17 176.05 3ixq s VAL 181 N 0.40 0.96 -0.02 -1.27 0.11 -0.18 -0.62 120.40 119.78 3ixq s VAL 181 Ca 0.02 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 58.48 3ixq s VAL 181 Cb -0.13 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 3ixq s VAL 181 CO 0.01 0.31 1.16 -0.36 -3.33 0.00 0.00 175.10 172.89 3ixq s PHE 182 N 1.73 3.34 0.05 1.54 0.08 -0.56 0.44 117.98 124.60 3ixq s PHE 182 Ca 0.04 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.42 3ixq s PHE 182 Cb -0.13 -3.37 -0.03 0.00 -0.57 0.00 0.00 43.02 38.92 3ixq s PHE 182 CO -0.08 -1.07 -0.05 -1.64 -0.10 0.00 0.00 175.22 172.28 3ixq s MET 183 N 1.72 0.55 -0.66 0.44 -1.94 -1.26 -1.25 119.30 116.90 3ixq s MET 183 Ca 0.56 -0.98 -0.23 0.00 -1.71 0.00 0.00 55.69 53.33 3ixq s MET 183 Cb -0.25 -0.00 0.06 0.00 2.01 0.00 0.00 34.83 36.65 3ixq s MET 183 CO 0.25 -0.04 0.99 1.21 -0.01 0.00 0.00 175.02 177.41 3ixq s ASN 184 N -2.26 6.19 -0.64 3.03 3.84 -1.26 -4.64 114.94 119.20 3ixq s ASN 184 Ca -0.02 -0.89 -0.23 0.00 0.21 0.00 0.00 52.86 51.93 3ixq s ASN 184 Cb -0.01 -2.43 0.06 0.00 -0.55 0.00 0.00 41.25 38.31 3ixq s ASN 184 CO -0.04 -1.46 0.98 -0.63 -2.79 0.00 0.00 177.10 173.16 3ixq s ILE 185 N 4.20 4.30 -0.11 -5.21 1.01 -1.26 -4.85 121.20 119.28 3ixq s ILE 185 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 3ixq s ILE 185 Cb -0.16 -4.66 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 3ixq s ILE 185 CO 0.11 -1.39 0.10 -0.78 0.00 0.00 0.00 174.94 172.98 3ixq h ASP 186 N 9.53 0.00 -3.68 3.58 3.58 -1.94 -3.44 116.42 124.05 3ixq h ASP 186 Ca -0.28 -0.15 -0.65 0.00 0.42 0.00 0.00 57.03 56.37 3ixq h ASP 186 Cb 1.07 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.72 3ixq h ASP 186 CO 1.16 0.60 -0.72 -0.62 -2.88 0.00 0.00 179.24 176.79 3ixq s ASP 187 N -5.68 4.67 0.20 2.28 -1.08 -1.26 -5.00 116.67 110.80 3ixq s ASP 187 Ca -0.04 -2.17 -0.08 0.00 -0.52 0.00 0.00 52.55 49.74 3ixq s ASP 187 Cb -0.00 -1.56 0.13 0.00 -1.46 0.00 0.00 42.92 40.03 3ixq s ASP 187 CO 0.12 -0.37 1.74 0.00 0.52 0.00 0.00 175.17 177.18 3ixq h ALA 188 N 7.58 0.97 -0.38 3.66 0.00 -1.99 -0.74 119.26 128.36 3ixq h ALA 188 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ixq h ALA 188 Cb 1.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3ixq h ALA 188 CO 0.53 0.66 0.24 0.82 0.00 0.00 0.00 179.25 181.50 3ixq h ILE 189 N 1.10 1.11 -0.31 0.00 2.04 -1.97 -0.73 117.51 118.75 3ixq h ILE 189 Ca 0.24 -0.22 -0.16 0.00 1.00 0.00 0.00 64.86 65.72 3ixq h ILE 189 Cb 0.31 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3ixq h ILE 189 CO -0.01 0.11 -0.43 -0.08 0.00 0.00 0.00 178.15 177.74 3ixq h GLU 190 N 0.50 0.79 -0.42 2.37 4.57 -1.96 -2.79 114.58 117.64 3ixq h GLU 190 Ca 0.14 -0.43 -0.08 0.00 -1.18 0.00 0.00 59.36 57.80 3ixq h GLU 190 Cb -0.03 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3ixq h GLU 190 CO -0.03 1.06 -0.07 1.25 -1.18 0.00 0.00 179.01 180.04 3ixq h LEU 191 N 0.64 0.78 -0.45 1.64 5.85 -0.86 -0.16 115.31 122.74 3ixq h LEU 191 Ca 0.04 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.51 3ixq h LEU 191 Cb 1.00 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 3ixq h LEU 191 CO 0.10 0.94 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.91 3ixq h GLU 192 N 0.60 -0.04 -0.20 1.25 4.81 -1.15 0.65 114.58 120.49 3ixq h GLU 192 Ca 0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ixq h GLU 192 Cb 0.58 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3ixq h GLU 192 CO 0.03 -0.03 0.12 -0.22 -0.73 0.00 0.00 179.01 178.19 3ixq h LYS 193 N -0.04 0.28 -0.39 1.92 3.64 -1.17 -2.25 116.57 118.55 3ixq h LYS 193 Ca 0.22 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 3ixq h LYS 193 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3ixq h LYS 193 CO -0.49 0.24 -0.28 0.93 -2.27 0.00 0.00 179.45 177.58 3ixq h GLU 194 N 0.24 0.84 -0.62 1.90 5.08 -0.58 -2.56 114.58 118.87 3ixq h GLU 194 Ca 0.07 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3ixq h GLU 194 Cb 0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3ixq h GLU 194 CO -0.01 1.01 0.19 0.82 -1.00 0.00 0.00 179.01 180.02 3ixq h ILE 195 N 0.71 1.25 0.00 3.13 2.04 -0.84 -2.39 117.51 121.40 3ixq h ILE 195 Ca 0.08 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3ixq h ILE 195 Cb 0.82 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3ixq h ILE 195 CO 0.07 0.32 -0.06 0.78 0.00 0.00 0.00 178.15 179.26 3ixq h ASN 196 N 0.88 0.00 -0.08 1.72 2.35 -1.21 -2.39 115.58 116.86 3ixq h ASN 196 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3ixq h ASN 196 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3ixq h ASN 196 CO -0.01 0.06 0.00 -3.20 -1.65 0.00 0.00 177.43 172.63 3ixq n ASN 197 N -3.31 1.62 -4.67 5.81 5.15 -0.91 -4.77 115.26 114.18 3ixq n ASN 197 Ca -0.01 -1.59 -0.43 0.00 -0.60 0.00 0.00 54.58 51.95 3ixq n ASN 197 Cb 0.23 -0.04 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 3ixq n ASN 197 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ixq s ILE 198 N -1.91 4.20 0.10 -1.44 1.01 -0.90 -4.98 121.20 117.27 3ixq s ILE 198 Ca 0.36 1.48 -0.34 0.00 0.00 0.00 0.00 60.65 62.15 3ixq s ILE 198 Cb 0.20 -3.95 -0.13 0.00 0.01 0.00 0.00 42.46 38.58 3ixq s ILE 198 CO 0.31 -0.09 1.66 -2.65 0.00 0.00 0.00 174.94 174.17 3ixq n PRO 199 N 6.16 2.18 0.00 2.79 -0.02 -1.26 -1.25 135.00 143.60 3ixq n PRO 199 Ca 0.13 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3ixq n PRO 199 Cb 0.45 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3ixq n PRO 199 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixq n GLY 200 N 3.69 2.30 3.67 -1.23 0.00 -1.26 -4.71 105.19 107.65 3ixq n GLY 200 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ixq n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixq s VAL 201 N -2.58 4.81 -0.16 1.61 1.01 -0.38 -0.83 120.40 123.89 3ixq s VAL 201 Ca 0.00 1.80 -0.25 0.00 0.00 0.00 0.00 61.98 63.53 3ixq s VAL 201 Cb 0.00 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.95 3ixq s VAL 201 CO 0.00 -0.03 0.55 0.58 0.00 0.00 0.00 175.10 176.20 3ixq h VAL 202 N 5.25 1.41 -2.43 2.92 2.07 -1.28 -3.46 116.25 120.72 3ixq h VAL 202 Ca -0.27 -2.19 0.05 0.00 0.82 0.00 0.00 66.70 65.11 3ixq h VAL 202 Cb 1.12 2.79 -0.15 0.00 -1.52 0.00 0.00 31.29 33.53 3ixq h VAL 202 CO 0.87 0.48 0.38 -0.70 0.02 0.00 0.00 177.57 178.62 3ixq s GLU 203 N -2.21 0.97 0.24 1.57 2.56 -1.24 -5.02 118.70 115.57 3ixq s GLU 203 Ca -0.20 -0.27 0.05 0.00 0.00 0.00 0.00 54.97 54.55 3ixq s GLU 203 Cb -0.00 0.45 -0.05 0.00 2.00 0.00 0.00 34.13 36.52 3ixq s GLU 203 CO 0.61 -0.41 -0.04 0.54 -0.56 0.00 0.00 175.26 175.40 3ixq s ASN 204 N -2.34 2.17 0.00 -1.70 2.20 -1.26 -0.72 114.94 113.29 3ixq s ASN 204 Ca 0.02 -1.17 0.27 0.00 -0.94 0.00 0.00 52.86 51.03 3ixq s ASN 204 Cb -0.01 -0.06 1.40 0.00 -2.00 0.00 0.00 41.25 40.58 3ixq s ASN 204 CO -0.08 -0.42 1.93 0.61 -2.94 0.00 0.00 177.10 176.20 3ixq n GLY 205 N -0.44 -0.57 3.70 0.45 0.00 0.08 -4.79 105.19 103.61 3ixq n GLY 205 Ca -0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3ixq n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixq s ILE 206 N -1.98 4.02 -0.13 -0.61 1.01 -1.26 -0.60 121.20 121.65 3ixq s ILE 206 Ca 0.40 1.41 0.03 0.00 0.00 0.00 0.00 60.65 62.48 3ixq s ILE 206 Cb 0.20 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.77 3ixq s ILE 206 CO 0.32 0.05 -0.22 -0.36 0.00 0.00 0.00 174.94 174.73 3ixq s PHE 207 N 1.76 2.66 -0.01 3.97 2.99 -0.43 -4.97 117.98 123.94 3ixq s PHE 207 Ca 0.59 -1.23 0.02 0.00 0.00 0.00 0.00 56.93 56.31 3ixq s PHE 207 Cb -0.28 -1.80 0.03 0.00 0.00 0.00 0.00 43.02 40.96 3ixq s PHE 207 CO 0.26 -0.55 0.96 0.25 -0.00 0.00 0.00 175.22 176.15 3ixq n THR 208 N 3.92 0.96 -4.40 0.64 -2.24 -1.26 -0.90 114.28 111.01 3ixq n THR 208 Ca -0.20 -1.00 -0.29 0.00 -2.27 0.00 0.00 64.05 60.30 3ixq n THR 208 Cb 0.52 0.49 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 3ixq n THR 208 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ixq s LYS 209 N -1.05 2.23 -0.09 -0.78 1.02 -1.26 -4.96 119.74 114.85 3ixq s LYS 209 Ca 0.03 -0.56 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 3ixq s LYS 209 Cb 0.03 -1.92 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 3ixq s LYS 209 CO 0.00 -0.09 0.45 0.08 -0.92 0.00 0.00 175.35 174.87 3ixq s VAL 210 N 1.05 0.02 -0.21 3.17 1.01 -1.26 -4.88 120.40 119.30 3ixq s VAL 210 Ca -0.05 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3ixq s VAL 210 Cb -0.15 -0.70 -0.19 0.00 0.00 0.00 0.00 36.38 35.35 3ixq s VAL 210 CO -0.03 -0.10 0.13 0.47 0.00 0.00 0.00 175.10 175.58 3ixq n ASP 211 N 1.91 1.89 -3.66 3.32 8.00 -0.56 -4.93 116.55 122.53 3ixq n ASP 211 Ca -0.17 0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.61 3ixq n ASP 211 Cb 0.57 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3ixq n ASP 211 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3ixq s LYS 212 N -2.40 1.34 -0.15 -1.24 -2.85 -1.09 -4.52 119.74 108.82 3ixq s LYS 212 Ca -0.30 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 3ixq s LYS 212 Cb 0.07 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.40 3ixq s LYS 212 CO 0.59 -0.57 -0.12 0.08 0.10 0.00 0.00 175.35 175.43 3ixq s VAL 213 N -3.84 1.48 -0.10 1.79 1.01 -0.08 -1.21 120.40 119.44 3ixq s VAL 213 Ca 0.07 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 3ixq s VAL 213 Cb -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3ixq s VAL 213 CO -0.06 0.38 0.46 -0.76 0.00 0.00 0.00 175.10 175.12 3ixq s LEU 214 N 1.51 4.30 -0.16 3.92 1.02 0.43 -0.00 118.68 129.71 3ixq s LEU 214 Ca 0.04 0.82 0.01 0.00 0.02 0.00 0.00 54.13 55.01 3ixq s LEU 214 Cb -0.13 -2.67 0.02 0.00 0.02 0.00 0.00 46.19 43.43 3ixq s LEU 214 CO -0.10 0.05 -0.16 -0.69 0.02 0.00 0.00 176.35 175.47 3ixq s VAL 215 N 0.39 1.70 -0.15 -1.59 1.01 0.14 -1.52 120.40 120.38 3ixq s VAL 215 Ca 0.25 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 3ixq s VAL 215 Cb -0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3ixq s VAL 215 CO 0.10 0.48 0.93 -0.83 0.00 0.00 0.00 175.10 175.78 3ixq s GLY 216 N 1.44 2.14 0.29 4.51 0.00 0.25 -1.13 107.32 114.82 3ixq s GLY 216 Ca 0.05 0.19 0.04 0.00 0.00 0.00 0.00 44.72 45.00 3ixq s GLY 216 CO -0.11 1.84 0.02 -0.51 0.00 0.00 0.00 173.10 174.34 3ixq s THR 217 N 2.24 1.21 0.44 0.90 -4.23 -0.52 -1.13 115.64 114.56 3ixq s THR 217 Ca 0.43 -2.03 0.12 0.00 -1.18 0.00 0.00 61.69 59.02 3ixq s THR 217 Cb -0.17 -2.61 0.23 0.00 1.34 0.00 0.00 72.50 71.28 3ixq s THR 217 CO 0.14 -0.14 2.04 0.11 -0.54 0.00 0.00 174.62 176.23 3ixq h LYS 218 N 2.24 0.21 -0.01 3.99 1.79 -1.99 -1.82 116.57 120.98 3ixq h LYS 218 Ca -0.40 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3ixq h LYS 218 Cb 1.24 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3ixq h LYS 218 CO 0.68 0.22 -0.04 1.63 -1.08 0.00 0.00 179.45 180.86 3ixq n LYS 219 N -4.42 1.53 0.00 3.15 5.02 -1.26 -5.04 118.16 117.14 3ixq n LYS 219 Ca -0.01 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 3ixq n LYS 219 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3ixq n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ixq n GLY 220 N 1.20 0.93 3.64 0.72 0.00 -0.68 -5.06 105.19 105.94 3ixq n GLY 220 Ca 0.18 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 3ixq n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixq s VAL 221 N -1.88 5.31 0.08 1.61 1.01 -1.26 -1.44 120.40 123.81 3ixq s VAL 221 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.29 3ixq s VAL 221 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3ixq s VAL 221 CO 0.00 0.29 0.13 -1.59 0.00 0.00 0.00 175.10 173.93 3ixq s LYS 222 N 1.40 3.09 -0.23 2.72 -2.85 -0.28 -4.91 119.74 118.68 3ixq s LYS 222 Ca 0.10 -0.60 -0.04 0.00 -1.00 0.00 0.00 55.97 54.42 3ixq s LYS 222 Cb -0.15 -2.84 -0.01 0.00 -2.06 0.00 0.00 37.83 32.78 3ixq s LYS 222 CO 0.07 0.58 -0.02 0.99 0.10 0.00 0.00 175.35 177.07 3ixq s THR 223 N -1.45 3.48 -0.17 3.79 2.01 -1.26 0.24 115.64 122.27 3ixq s THR 223 Ca 0.31 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 3ixq s THR 223 Cb -0.12 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3ixq s THR 223 CO 0.24 0.37 0.07 -0.76 -0.69 0.00 0.00 174.62 173.85 3ixq s LEU 224 N 1.48 3.88 -0.03 4.42 1.43 1.00 -4.95 118.68 125.91 3ixq s LEU 224 Ca 0.05 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 3ixq s LEU 224 Cb -0.15 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3ixq s LEU 224 CO -0.02 0.21 0.36 -1.59 0.23 0.00 0.00 176.35 175.53 3ixq s LYS 225 N 0.14 0.69 0.00 1.70 -2.85 -1.26 -0.90 119.74 117.26 3ixq s LYS 225 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 3ixq s LYS 225 Cb -0.12 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 3ixq s LYS 225 CO 0.00 -0.19 0.00 1.63 0.10 0.00 0.00 175.35 176.90