#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixy s LYS 2 N 0.00 2.94 -0.16 2.12 2.47 -1.26 -4.36 119.74 121.49 1ixy s LYS 2 Ca 0.00 -0.81 -0.04 0.00 -1.56 0.00 0.00 55.97 53.56 1ixy s LYS 2 Cb 0.00 -2.47 -0.03 0.00 -1.46 0.00 0.00 37.83 33.87 1ixy s LYS 2 CO 0.00 -0.14 -0.04 0.42 0.16 0.00 0.00 175.35 175.75 1ixy s ILE 3 N 1.12 3.84 -0.17 5.43 1.01 0.07 -0.64 121.20 131.87 1ixy s ILE 3 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1ixy s ILE 3 Cb -0.14 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1ixy s ILE 3 CO -0.09 0.49 -0.09 0.00 0.00 0.00 0.00 174.94 175.26 1ixy s ALA 4 N 0.41 2.74 -0.03 9.38 0.00 -0.35 -0.51 121.76 133.39 1ixy s ALA 4 Ca -0.04 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1ixy s ALA 4 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1ixy s ALA 4 CO 0.03 -0.03 -0.24 -1.50 0.00 0.00 0.00 175.76 174.02 1ixy s ILE 5 N 0.80 2.24 0.06 0.00 2.07 -0.39 -0.18 121.20 125.79 1ixy s ILE 5 Ca -0.03 -1.03 -0.03 0.00 -1.41 0.00 0.00 60.65 58.15 1ixy s ILE 5 Cb -0.15 -1.80 -0.03 0.00 0.13 0.00 0.00 42.46 40.61 1ixy s ILE 5 CO 0.01 0.58 0.02 0.27 -1.91 0.00 0.00 174.94 173.91 1ixy s ILE 6 N -0.53 0.20 -0.21 2.00 -4.36 -0.63 -1.65 121.20 116.02 1ixy s ILE 6 Ca 0.07 -1.64 -0.10 0.00 -0.26 0.00 0.00 60.65 58.73 1ixy s ILE 6 Cb -0.11 -1.42 -0.05 0.00 1.25 0.00 0.00 42.46 42.13 1ixy s ILE 6 CO 0.00 -0.90 0.13 0.21 0.24 0.00 0.00 174.94 174.61 1ixy s ASN 7 N -2.83 6.01 0.40 4.36 3.84 -1.26 -1.02 114.94 124.44 1ixy s ASN 7 Ca 0.05 0.13 0.15 0.00 0.21 0.00 0.00 52.86 53.41 1ixy s ASN 7 Cb 0.06 -2.06 0.84 0.00 -0.55 0.00 0.00 41.25 39.54 1ixy s ASN 7 CO -0.10 0.12 1.87 -0.03 -2.79 0.00 0.00 177.10 176.18 1ixy h MET 8 N 7.09 0.00 0.00 0.43 1.85 -1.75 -3.35 114.93 119.20 1ixy h MET 8 Ca -0.39 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.68 1ixy h MET 8 Cb 1.16 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.14 1ixy h MET 8 CO 0.70 0.31 -0.46 0.41 -0.40 0.00 0.00 176.91 177.47 1ixy n GLY 9 N -0.54 1.71 3.08 1.39 0.00 -1.26 -3.59 105.19 105.98 1ixy n GLY 9 Ca -0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 1ixy n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ixy s ASN 10 N -1.63 -0.13 0.43 1.61 -0.87 -1.26 -4.54 114.94 108.56 1ixy s ASN 10 Ca 0.13 0.20 -0.24 0.00 -1.57 0.00 0.00 52.86 51.38 1ixy s ASN 10 Cb 0.13 0.33 -0.08 0.00 -0.02 0.00 0.00 41.25 41.60 1ixy s ASN 10 CO -0.02 -0.16 1.21 0.21 -2.57 0.00 0.00 177.10 175.77 1ixy s ASN 11 N -0.34 6.27 -0.28 -1.22 2.47 -1.26 -4.62 114.94 115.95 1ixy s ASN 11 Ca -0.04 2.42 0.02 0.00 0.42 0.00 0.00 52.86 55.68 1ixy s ASN 11 Cb -0.03 -2.62 0.06 0.00 -1.45 0.00 0.00 41.25 37.22 1ixy s ASN 11 CO 0.01 -0.85 -0.05 -0.69 -3.72 0.00 0.00 177.10 171.79 1ixy s VAL 12 N -1.42 2.41 0.06 -5.21 1.01 -1.26 -4.38 120.40 111.60 1ixy s VAL 12 Ca 0.60 -1.69 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1ixy s VAL 12 Cb -0.32 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ixy s VAL 12 CO 0.40 -0.14 -0.01 -0.38 0.00 0.00 0.00 175.10 174.96 1ixy n ILE 13 N 4.46 0.90 0.00 2.22 5.41 -1.26 -4.81 119.36 126.28 1ixy n ILE 13 Ca -0.11 0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1ixy n ILE 13 Cb 0.42 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 1ixy n ILE 13 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1ixy n ASN 14 N -3.26 1.40 -1.06 4.38 0.23 -1.26 -4.67 115.26 111.03 1ixy n ASN 14 Ca -0.01 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.14 1ixy n ASN 14 Cb 0.02 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 37.95 1ixy n ASN 14 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ixy n PHE 15 N 0.00 0.65 0.27 -2.53 3.01 -1.26 -3.73 117.46 113.86 1ixy n PHE 15 Ca 0.00 -0.40 0.15 0.00 1.01 0.00 0.00 57.45 58.21 1ixy n PHE 15 Cb 0.00 -0.01 0.68 0.00 -0.01 0.00 0.00 39.48 40.14 1ixy n PHE 15 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ixy h LYS 16 N 3.62 0.00 -6.04 -1.08 1.79 -1.97 -3.31 116.57 109.58 1ixy h LYS 16 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1ixy h LYS 16 Cb 0.89 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.38 1ixy h LYS 16 CO 0.00 0.08 -0.77 0.95 -1.08 0.00 0.00 179.45 178.62 1ixy s THR 17 N -3.78 2.07 -0.01 -0.16 -4.23 -1.26 -4.83 115.64 103.44 1ixy s THR 17 Ca -0.00 -2.13 -0.22 0.00 -1.18 0.00 0.00 61.69 58.15 1ixy s THR 17 Cb 0.10 -2.06 -0.13 0.00 1.34 0.00 0.00 72.50 71.75 1ixy s THR 17 CO 0.56 -0.37 0.96 0.58 -0.54 0.00 0.00 174.62 175.82 1ixy h VAL 18 N 2.83 0.28 -1.01 2.29 2.07 -1.94 -2.53 116.25 118.23 1ixy h VAL 18 Ca -0.41 -0.57 0.25 0.00 0.82 0.00 0.00 66.70 66.78 1ixy h VAL 18 Cb 1.22 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1ixy h VAL 18 CO 0.55 0.06 0.65 -0.65 0.02 0.00 0.00 177.57 178.20 1ixy h PRO 19 N -1.05 0.43 -0.12 1.57 0.11 -1.97 0.70 132.00 131.67 1ixy h PRO 19 Ca -0.06 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.89 1ixy h PRO 19 Cb 0.55 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1ixy h PRO 19 CO 0.10 0.28 -0.51 1.03 -0.21 0.00 0.00 178.00 178.69 1ixy h SER 20 N 0.44 0.37 0.08 -2.05 0.87 -1.76 -2.94 113.55 108.56 1ixy h SER 20 Ca 0.57 -0.19 -0.28 0.00 -1.23 0.00 0.00 61.79 60.66 1ixy h SER 20 Cb 1.37 -0.11 0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1ixy h SER 20 CO -0.28 0.82 -1.16 0.28 -0.53 0.00 0.00 176.83 175.96 1ixy h SER 21 N 0.27 0.89 -0.77 6.23 0.02 0.65 -2.69 113.55 118.15 1ixy h SER 21 Ca 0.01 -0.79 0.04 0.00 -0.84 0.00 0.00 61.79 60.20 1ixy h SER 21 Cb 1.00 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 1ixy h SER 21 CO 0.09 1.58 0.49 -0.33 -1.14 0.00 0.00 176.83 177.51 1ixy h GLU 22 N 0.30 0.91 0.25 3.45 5.08 -0.43 -0.69 114.58 123.45 1ixy h GLU 22 Ca -0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1ixy h GLU 22 Cb 1.83 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1ixy h GLU 22 CO 0.22 0.60 -0.12 1.15 -1.00 0.00 0.00 179.01 179.87 1ixy h THR 23 N 0.94 0.81 -0.63 1.13 2.02 -1.53 -0.73 112.91 114.92 1ixy h THR 23 Ca 0.31 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.21 1ixy h THR 23 Cb 0.04 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1ixy h THR 23 CO -0.12 0.08 0.34 0.40 0.37 0.00 0.00 175.52 176.59 1ixy h ILE 24 N -0.51 0.96 0.42 3.11 2.04 -1.27 0.25 117.51 122.51 1ixy h ILE 24 Ca -0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1ixy h ILE 24 Cb 0.38 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ixy h ILE 24 CO 0.06 0.12 -0.20 1.88 0.00 0.00 0.00 178.15 180.00 1ixy h TYR 25 N 0.64 -0.52 -0.76 1.37 0.05 -1.07 0.30 116.97 116.97 1ixy h TYR 25 Ca 0.28 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.12 1ixy h TYR 25 Cb 0.18 0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 1ixy h TYR 25 CO -0.09 -0.32 0.50 -0.07 -1.05 0.00 0.00 178.16 177.14 1ixy h LEU 26 N -0.57 0.69 -0.30 3.88 3.38 -0.84 0.28 115.31 121.83 1ixy h LEU 26 Ca -0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ixy h LEU 26 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1ixy h LEU 26 CO 0.09 0.44 0.17 0.15 0.09 0.00 0.00 178.44 179.38 1ixy h PHE 27 N 0.78 0.41 -0.23 1.13 3.57 0.18 -2.56 116.94 120.22 1ixy h PHE 27 Ca 0.33 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1ixy h PHE 27 Cb 0.29 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1ixy h PHE 27 CO -0.00 0.32 -0.04 -0.22 -2.23 0.00 0.00 178.31 176.15 1ixy h LYS 28 N 0.37 0.43 0.00 1.11 3.11 0.18 -1.91 116.57 119.87 1ixy h LYS 28 Ca 0.11 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 1ixy h LYS 28 Cb 0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1ixy h LYS 28 CO -0.02 0.65 -0.13 -0.24 -2.81 0.00 0.00 179.45 176.90 1ixy h VAL 29 N 0.18 0.37 0.18 2.00 3.04 -0.56 -1.19 116.25 120.27 1ixy h VAL 29 Ca 0.06 -0.80 -0.32 0.00 -1.01 0.00 0.00 66.70 64.64 1ixy h VAL 29 Cb 0.48 1.59 0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1ixy h VAL 29 CO 0.02 0.13 -1.46 0.40 -1.01 0.00 0.00 177.57 175.65 1ixy h ILE 30 N 0.00 1.28 -0.10 3.17 2.04 -1.39 -3.18 117.51 119.32 1ixy h ILE 30 Ca -0.00 -2.81 -0.05 0.00 1.00 0.00 0.00 64.86 63.00 1ixy h ILE 30 Cb 0.58 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 1ixy h ILE 30 CO 0.02 0.84 -0.17 0.28 0.00 0.00 0.00 178.15 179.12 1ixy h SER 31 N 0.11 0.16 0.00 1.72 0.02 -0.94 -2.09 113.55 112.52 1ixy h SER 31 Ca -0.23 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1ixy h SER 31 Cb 2.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1ixy h SER 31 CO 0.22 0.34 0.00 -0.62 -1.14 0.00 0.00 176.83 175.63 1ixy n GLU 32 N -4.27 0.83 -0.04 3.45 1.02 -0.49 -1.40 120.64 119.74 1ixy n GLU 32 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 1ixy n GLU 32 Cb 0.28 -1.34 0.12 0.00 -0.02 0.00 0.00 31.44 30.47 1ixy n GLU 32 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ixy n MET 33 N -0.84 2.19 -0.56 3.49 2.81 -0.79 -4.92 117.12 118.50 1ixy n MET 33 Ca 0.14 -1.92 0.00 0.00 -1.81 0.00 0.00 57.70 54.10 1ixy n MET 33 Cb 0.06 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1ixy n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ixy n GLY 34 N 1.30 0.83 3.84 3.03 0.00 -0.50 -5.08 105.19 108.60 1ixy n GLY 34 Ca 0.14 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1ixy n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixy s LEU 35 N 0.00 4.06 -0.61 0.99 1.43 -1.20 -5.06 118.68 118.30 1ixy s LEU 35 Ca 0.00 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 1ixy s LEU 35 Cb 0.00 -2.66 0.11 0.00 0.03 0.00 0.00 46.19 43.67 1ixy s LEU 35 CO 0.00 0.18 0.69 0.21 0.23 0.00 0.00 176.35 177.67 1ixy s ASN 36 N -2.36 6.23 0.13 2.29 3.04 -1.26 -4.30 114.94 118.70 1ixy s ASN 36 Ca 0.31 -1.57 0.10 0.00 0.04 0.00 0.00 52.86 51.73 1ixy s ASN 36 Cb -0.13 -2.29 -0.04 0.00 -1.54 0.00 0.00 41.25 37.26 1ixy s ASN 36 CO 0.24 -1.05 -0.23 0.54 -3.04 0.00 0.00 177.10 173.55 1ixy s VAL 37 N 2.40 2.00 0.19 -5.21 0.11 -1.26 -0.75 120.40 117.88 1ixy s VAL 37 Ca 0.11 -1.73 0.11 0.00 -2.93 0.00 0.00 61.98 57.54 1ixy s VAL 37 Cb -0.24 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1ixy s VAL 37 CO 0.04 -0.05 -0.20 -1.81 -3.33 0.00 0.00 175.10 169.76 1ixy s ASP 38 N -2.15 3.66 -0.20 3.54 1.01 0.33 -4.97 116.67 117.88 1ixy s ASP 38 Ca 0.12 -0.78 -0.04 0.00 0.71 0.00 0.00 52.55 52.56 1ixy s ASP 38 Cb -0.09 -0.38 -0.02 0.00 1.01 0.00 0.00 42.92 43.44 1ixy s ASP 38 CO 0.06 0.12 -0.03 -0.63 0.21 0.00 0.00 175.17 174.90 1ixy s ILE 39 N -1.67 3.66 -0.24 0.77 1.01 -1.25 -1.26 121.20 122.22 1ixy s ILE 39 Ca 0.22 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1ixy s ILE 39 Cb -0.08 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1ixy s ILE 39 CO 0.11 0.44 0.06 -0.63 0.00 0.00 0.00 174.94 174.91 1ixy s ILE 40 N 1.09 4.24 0.00 2.92 -1.09 -0.66 -0.75 121.20 126.95 1ixy s ILE 40 Ca 0.02 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 1ixy s ILE 40 Cb -0.15 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1ixy s ILE 40 CO 0.01 0.36 0.00 -0.24 -1.23 0.00 0.00 174.94 173.83 1ixy n SER 41 N 4.78 0.21 -0.25 3.58 2.88 -0.48 -4.40 113.62 119.94 1ixy n SER 41 Ca -0.16 -0.79 -0.03 0.00 -1.33 0.00 0.00 58.87 56.55 1ixy n SER 41 Cb 0.51 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.05 1ixy n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ixy h LEU 42 N 0.00 0.74 -8.91 2.46 3.38 -1.90 -1.60 115.31 109.47 1ixy h LEU 42 Ca 0.00 -0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.60 1ixy h LEU 42 Cb 0.00 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 40.44 1ixy h LEU 42 CO 0.00 0.51 -0.62 -0.54 0.09 0.00 0.00 178.44 177.88 1ixy s LYS 43 N -6.12 1.41 0.63 1.13 1.02 -1.26 -4.34 119.74 112.20 1ixy s LYS 43 Ca -0.13 -1.76 -0.15 0.00 0.02 0.00 0.00 55.97 53.96 1ixy s LYS 43 Cb 0.15 -0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1ixy s LYS 43 CO 0.77 -0.25 1.07 -0.80 -0.92 0.00 0.00 175.35 175.22 1ixy s ASN 44 N -3.32 5.56 -0.02 2.83 0.01 -1.26 -4.05 114.94 114.69 1ixy s ASN 44 Ca 0.36 1.81 -0.08 0.00 -0.71 0.00 0.00 52.86 54.24 1ixy s ASN 44 Cb 0.08 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.23 1ixy s ASN 44 CO 0.13 -1.32 0.34 0.61 -1.51 0.00 0.00 177.10 175.35 1ixy n GLY 45 N -1.09 0.35 0.22 0.66 0.00 0.54 -4.88 105.19 100.99 1ixy n GLY 45 Ca 0.09 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1ixy n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ixy h VAL 46 N 1.25 0.54 -0.04 1.61 2.07 -1.95 -3.04 116.25 116.68 1ixy h VAL 46 Ca -0.05 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ixy h VAL 46 Cb 0.30 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ixy h VAL 46 CO 0.07 0.02 0.00 -1.22 0.02 0.00 0.00 177.57 176.46 1ixy n TYR 47 N -5.27 0.04 -4.18 1.57 4.01 -1.26 -5.05 117.16 107.03 1ixy n TYR 47 Ca 0.07 -0.05 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 1ixy n TYR 47 Cb 0.31 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.23 1ixy n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1ixy s THR 48 N -0.84 1.04 0.09 -0.72 -4.23 -1.15 -3.88 115.64 105.95 1ixy s THR 48 Ca 0.12 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1ixy s THR 48 Cb 0.08 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 1ixy s THR 48 CO 0.12 -0.41 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.09 1ixy s LYS 49 N -2.31 1.93 0.16 3.99 1.02 0.07 -0.34 119.74 124.27 1ixy s LYS 49 Ca 0.02 -1.09 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1ixy s LYS 49 Cb -0.06 -2.17 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 1ixy s LYS 49 CO 0.01 0.50 1.16 0.45 -0.92 0.00 0.00 175.35 176.56 1ixy s SER 50 N -1.91 7.15 0.43 2.83 0.15 -1.26 -1.39 113.70 119.71 1ixy s SER 50 Ca 0.17 2.15 0.17 0.00 0.70 0.00 0.00 55.95 59.14 1ixy s SER 50 Cb -0.11 -2.60 1.08 0.00 -1.71 0.00 0.00 66.02 62.68 1ixy s SER 50 CO 0.09 -0.33 1.92 -0.26 1.20 0.00 0.00 173.24 175.86 1ixy h PHE 51 N 5.43 0.46 -0.00 3.44 0.04 -1.48 -1.57 116.94 123.25 1ixy h PHE 51 Ca -0.44 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1ixy h PHE 51 Cb 1.21 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1ixy h PHE 51 CO 0.63 0.17 -0.17 -0.25 -0.60 0.00 0.00 178.31 178.09 1ixy n ASP 52 N -4.47 0.31 -0.40 2.17 10.43 -1.26 -3.70 116.55 119.63 1ixy n ASP 52 Ca 0.14 -0.13 0.04 0.00 2.57 0.00 0.00 54.79 57.42 1ixy n ASP 52 Cb 0.55 -0.14 0.11 0.00 1.84 0.00 0.00 41.12 43.48 1ixy n ASP 52 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1ixy n GLU 53 N -1.28 2.78 -4.25 -1.24 1.02 -0.60 -5.00 120.64 112.07 1ixy n GLU 53 Ca 0.10 -2.00 -0.19 0.00 -0.02 0.00 0.00 57.16 55.05 1ixy n GLU 53 Cb 0.31 -1.27 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 1ixy n GLU 53 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ixy s VAL 54 N -1.39 0.59 -0.44 2.62 -7.23 -1.14 -4.95 120.40 108.46 1ixy s VAL 54 Ca 0.18 -0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 59.84 1ixy s VAL 54 Cb 0.12 -0.55 0.02 0.00 0.56 0.00 0.00 36.38 36.54 1ixy s VAL 54 CO 0.08 0.20 1.02 -0.62 -0.31 0.00 0.00 175.10 175.48 1ixy s ASP 55 N 0.34 6.63 0.42 4.85 -1.08 -1.26 -4.89 116.67 121.68 1ixy s ASP 55 Ca -0.04 0.43 0.18 0.00 -0.52 0.00 0.00 52.55 52.60 1ixy s ASP 55 Cb -0.09 -2.50 1.10 0.00 -1.46 0.00 0.00 42.92 39.97 1ixy s ASP 55 CO 0.00 -1.08 1.86 1.62 0.52 0.00 0.00 175.17 178.09 1ixy h VAL 56 N 6.06 0.67 0.00 1.11 3.04 -1.92 -0.28 116.25 124.94 1ixy h VAL 56 Ca -0.23 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1ixy h VAL 56 Cb 1.07 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1ixy h VAL 56 CO 1.06 0.07 0.00 0.59 -1.01 0.00 0.00 177.57 178.28 1ixy n ASN 57 N -4.50 0.08 -0.72 3.17 3.02 -1.26 -2.13 115.26 112.92 1ixy n ASN 57 Ca 0.19 -1.64 0.13 0.00 -0.03 0.00 0.00 54.58 53.23 1ixy n ASN 57 Cb 0.71 -0.04 0.33 0.00 -0.61 0.00 0.00 39.78 40.16 1ixy n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ixy n ASP 58 N -0.44 2.22 -4.49 6.41 8.00 -0.12 -4.84 116.55 123.30 1ixy n ASP 58 Ca 0.00 -1.74 -0.34 0.00 0.71 0.00 0.00 54.79 53.41 1ixy n ASP 58 Cb 0.02 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 1ixy n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ixy s TYR 59 N -1.95 3.04 -0.06 1.24 2.02 -0.90 -4.79 117.35 115.95 1ixy s TYR 59 Ca 0.34 -0.34 0.20 0.00 -0.37 0.00 0.00 57.07 56.90 1ixy s TYR 59 Cb 0.20 -2.01 0.48 0.00 -0.40 0.00 0.00 41.96 40.23 1ixy s TYR 59 CO 0.31 -0.10 1.63 -0.44 -1.57 0.00 0.00 175.55 175.39 1ixy h ASP 60 N 7.00 0.00 -3.29 2.29 3.32 -1.20 -3.42 116.42 121.12 1ixy h ASP 60 Ca -0.33 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.33 1ixy h ASP 60 Cb 1.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.35 1ixy h ASP 60 CO 0.63 0.32 -0.75 -0.13 -1.72 0.00 0.00 179.24 177.59 1ixy s ARG 61 N -3.30 0.10 -0.29 3.56 1.81 -1.19 -4.94 118.95 114.70 1ixy s ARG 61 Ca 0.03 0.29 -0.06 0.00 -1.72 0.00 0.00 55.73 54.27 1ixy s ARG 61 Cb 0.08 -0.68 0.01 0.00 -0.45 0.00 0.00 34.95 33.92 1ixy s ARG 61 CO 0.69 -0.34 0.07 -1.17 -0.68 0.00 0.00 175.30 173.87 1ixy s LEU 62 N 2.12 3.81 -0.07 2.53 2.96 -1.26 -1.21 118.68 127.56 1ixy s LEU 62 Ca 0.05 -0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 53.15 1ixy s LEU 62 Cb -0.12 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1ixy s LEU 62 CO -0.04 -0.20 0.10 -0.63 -1.32 0.00 0.00 176.35 174.27 1ixy s ILE 63 N 1.47 5.04 -0.09 6.68 1.01 0.74 -1.81 121.20 134.23 1ixy s ILE 63 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1ixy s ILE 63 Cb -0.17 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.10 1ixy s ILE 63 CO 0.02 0.52 0.00 -0.69 0.00 0.00 0.00 174.94 174.78 1ixy s VAL 64 N -1.07 0.45 -0.01 2.92 1.01 0.76 -1.60 120.40 122.86 1ixy s VAL 64 Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1ixy s VAL 64 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1ixy s VAL 64 CO 0.08 0.20 1.21 -0.69 0.00 0.00 0.00 175.10 175.90 1ixy s VAL 65 N 1.94 4.14 0.68 2.92 1.01 -0.19 -0.84 120.40 130.06 1ixy s VAL 65 Ca 0.04 1.50 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 1ixy s VAL 65 Cb -0.13 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1ixy s VAL 65 CO -0.06 0.04 0.54 -0.46 0.00 0.00 0.00 175.10 175.16 1ixy n ASN 66 N 4.76 -1.10 -3.64 3.32 2.04 -0.40 -2.47 115.26 117.78 1ixy n ASN 66 Ca 0.10 0.64 -0.10 0.00 -0.44 0.00 0.00 54.58 54.78 1ixy n ASN 66 Cb 0.46 -1.21 -0.03 0.00 -2.53 0.00 0.00 39.78 36.48 1ixy n ASN 66 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1ixy s SER 67 N -1.38 -0.39 0.50 0.53 0.15 -1.26 -4.67 113.70 107.18 1ixy s SER 67 Ca 0.67 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.04 1ixy s SER 67 Cb -0.38 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1ixy s SER 67 CO 0.57 -1.10 0.70 -0.94 1.20 0.00 0.00 173.24 173.67 1ixy s SER 68 N -2.83 5.45 -0.63 5.45 1.04 -1.26 -4.67 113.70 116.25 1ixy s SER 68 Ca 0.06 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 1ixy s SER 68 Cb -0.02 -0.86 0.16 0.00 0.10 0.00 0.00 66.02 65.40 1ixy s SER 68 CO -0.05 -0.98 0.43 -0.63 0.98 0.00 0.00 173.24 173.00 1ixy s ILE 69 N -2.61 3.61 -0.31 -1.02 1.01 -1.26 -4.72 121.20 115.90 1ixy s ILE 69 Ca 0.56 -3.06 0.04 0.00 0.00 0.00 0.00 60.65 58.18 1ixy s ILE 69 Cb -0.10 -3.36 0.09 0.00 0.01 0.00 0.00 42.46 39.10 1ixy s ILE 69 CO 0.36 -0.88 -0.00 0.21 0.00 0.00 0.00 174.94 174.63 1ixy s ASN 70 N 0.50 4.67 -1.28 3.58 3.84 -1.26 -5.04 114.94 119.95 1ixy s ASN 70 Ca 0.17 -1.89 -0.15 0.00 0.21 0.00 0.00 52.86 51.21 1ixy s ASN 70 Cb -0.20 -1.61 0.12 0.00 -0.55 0.00 0.00 41.25 39.01 1ixy s ASN 70 CO -0.03 -0.32 1.69 0.49 -2.79 0.00 0.00 177.10 176.14 1ixy n PHE 71 N 4.32 4.46 -1.60 0.43 3.72 -1.26 -4.82 117.46 122.71 1ixy n PHE 71 Ca -0.02 -3.05 -0.56 0.00 -0.05 0.00 0.00 57.45 53.76 1ixy n PHE 71 Cb 0.42 -2.37 -0.07 0.00 -0.94 0.00 0.00 39.48 36.52 1ixy n PHE 71 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ixy n PHE 72 N 6.52 1.38 -1.00 1.38 3.01 -1.26 -0.06 117.46 127.44 1ixy n PHE 72 Ca 0.43 0.77 0.00 0.00 1.01 0.00 0.00 57.45 59.67 1ixy n PHE 72 Cb 0.43 -2.28 0.00 0.00 -0.01 0.00 0.00 39.48 37.62 1ixy n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ixy n GLY 73 N 2.62 0.35 2.23 1.37 0.00 -1.26 -2.45 105.19 108.05 1ixy n GLY 73 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1ixy n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ixy n GLY 74 N -1.73 0.67 3.66 -0.02 0.00 0.91 -5.01 105.19 103.68 1ixy n GLY 74 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 1ixy n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixy s LYS 75 N -1.80 2.33 0.26 1.61 1.02 -1.02 -4.97 119.74 117.17 1ixy s LYS 75 Ca 0.00 -1.43 -0.31 0.00 0.02 0.00 0.00 55.97 54.25 1ixy s LYS 75 Cb 0.00 -2.18 -0.13 0.00 -0.52 0.00 0.00 37.83 35.01 1ixy s LYS 75 CO 0.00 0.33 1.49 -2.30 -0.92 0.00 0.00 175.35 173.95 1ixy n PRO 76 N -0.95 2.32 -3.69 -1.68 -0.02 -1.26 -4.10 135.00 125.63 1ixy n PRO 76 Ca -0.06 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 1ixy n PRO 76 Cb 0.59 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 1ixy n PRO 76 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ixy s ASN 77 N 0.40 5.46 0.22 2.55 3.84 -1.26 -4.92 114.94 121.23 1ixy s ASN 77 Ca 0.67 -1.41 -0.08 0.00 0.21 0.00 0.00 52.86 52.25 1ixy s ASN 77 Cb -0.59 -1.92 0.31 0.00 -0.55 0.00 0.00 41.25 38.50 1ixy s ASN 77 CO 0.49 -0.45 1.77 -0.07 -2.79 0.00 0.00 177.10 176.05 1ixy h LEU 78 N 8.29 0.40 -0.35 3.21 -0.00 -1.98 -2.08 115.31 122.80 1ixy h LEU 78 Ca -0.22 0.06 0.06 0.00 -0.00 0.00 0.00 57.88 57.78 1ixy h LEU 78 Cb 1.08 -0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.69 1ixy h LEU 78 CO 0.68 0.23 0.04 0.00 -0.00 0.00 0.00 178.44 179.39 1ixy h ALA 79 N 1.42 0.35 -0.06 1.53 0.00 -1.91 0.15 119.26 120.74 1ixy h ALA 79 Ca 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ixy h ALA 79 Cb 0.35 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ixy h ALA 79 CO -0.27 -0.37 -0.00 0.82 0.00 0.00 0.00 179.25 179.43 1ixy h ILE 80 N 0.15 1.25 -0.71 0.00 2.04 -1.57 -2.58 117.51 116.09 1ixy h ILE 80 Ca 0.17 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1ixy h ILE 80 Cb 0.21 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1ixy h ILE 80 CO -0.25 0.21 0.25 -0.07 0.00 0.00 0.00 178.15 178.29 1ixy h LEU 81 N -0.19 0.99 -0.78 1.44 3.38 -1.14 -1.57 115.31 117.44 1ixy h LEU 81 Ca 0.02 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1ixy h LEU 81 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ixy h LEU 81 CO 0.00 0.91 -0.36 0.28 0.09 0.00 0.00 178.44 179.36 1ixy h SER 82 N 1.04 0.00 0.20 -0.43 0.02 -0.73 -2.18 113.55 111.46 1ixy h SER 82 Ca 0.23 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.86 1ixy h SER 82 Cb 0.25 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ixy h SER 82 CO -0.01 0.36 -1.56 0.00 -1.14 0.00 0.00 176.83 174.48 1ixy h ALA 83 N 1.64 0.04 -0.06 3.77 0.00 -1.17 -2.75 119.26 120.72 1ixy h ALA 83 Ca -0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 54.91 53.76 1ixy h ALA 83 Cb 0.96 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1ixy h ALA 83 CO 0.05 0.84 -0.55 1.96 0.00 0.00 0.00 179.25 181.55 1ixy h GLN 84 N 0.03 0.16 -0.41 0.00 4.20 -1.34 0.14 115.11 117.90 1ixy h GLN 84 Ca -0.30 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.26 1ixy h GLN 84 Cb 2.05 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.82 1ixy h GLN 84 CO 0.19 0.67 0.07 -0.22 -0.67 0.00 0.00 178.83 178.87 1ixy h LYS 85 N 0.12 0.67 0.18 1.46 3.64 -1.49 0.17 116.57 121.32 1ixy h LYS 85 Ca -0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ixy h LYS 85 Cb 1.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1ixy h LYS 85 CO 0.08 0.72 -0.08 0.35 -2.27 0.00 0.00 179.45 178.24 1ixy h PHE 86 N 0.53 -0.22 -0.69 1.91 3.57 -1.16 -2.34 116.94 118.53 1ixy h PHE 86 Ca 0.12 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1ixy h PHE 86 Cb 0.37 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1ixy h PHE 86 CO 0.03 -0.06 0.41 0.52 -2.23 0.00 0.00 178.31 176.97 1ixy h MET 87 N -0.33 0.75 -0.53 1.11 2.86 -0.60 -1.71 114.93 116.48 1ixy h MET 87 Ca -0.02 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1ixy h MET 87 Cb 0.25 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1ixy h MET 87 CO 0.04 0.50 0.36 0.00 1.06 0.00 0.00 176.91 178.87 1ixy h ALA 88 N 1.33 2.15 -0.08 6.32 0.00 -0.47 -0.36 119.26 128.15 1ixy h ALA 88 Ca 0.30 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1ixy h ALA 88 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ixy h ALA 88 CO -0.15 -0.28 -0.62 -0.22 0.00 0.00 0.00 179.25 177.99 1ixy h LYS 89 N 0.26 0.30 -6.81 0.00 1.63 -0.76 -3.44 116.57 107.74 1ixy h LYS 89 Ca 0.25 -0.21 -0.53 0.00 -0.85 0.00 0.00 60.65 59.31 1ixy h LYS 89 Cb 0.63 0.03 0.07 0.00 -0.60 0.00 0.00 32.23 32.36 1ixy h LYS 89 CO -0.05 0.82 0.75 -0.47 -3.45 0.00 0.00 179.45 177.05 1ixy s TYR 90 N -3.76 2.92 -0.82 1.91 5.04 -0.15 -4.87 117.35 117.61 1ixy s TYR 90 Ca -0.05 1.10 0.15 0.00 -2.44 0.00 0.00 57.07 55.83 1ixy s TYR 90 Cb 0.12 -3.86 -0.14 0.00 0.35 0.00 0.00 41.96 38.43 1ixy s TYR 90 CO 0.81 -2.67 0.67 1.63 -1.34 0.00 0.00 175.55 174.65 1ixy n LYS 91 N 1.69 2.00 -3.05 4.97 4.76 -1.26 -4.61 118.16 122.67 1ixy n LYS 91 Ca 0.05 -0.13 -0.20 0.00 -2.87 0.00 0.00 58.31 55.16 1ixy n LYS 91 Cb 0.40 -1.22 0.06 0.00 -1.84 0.00 0.00 35.03 32.44 1ixy n LYS 91 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ixy n SER 92 N -1.16 2.17 -4.75 4.39 7.64 -1.26 -4.87 113.62 115.78 1ixy n SER 92 Ca 0.03 -2.57 -0.41 0.00 1.01 0.00 0.00 58.87 56.93 1ixy n SER 92 Cb 0.25 -0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1ixy n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ixy s LYS 93 N -4.62 4.24 -0.03 1.43 2.20 -1.26 -4.52 119.74 117.18 1ixy s LYS 93 Ca 0.59 2.36 -0.02 0.00 -0.36 0.00 0.00 55.97 58.54 1ixy s LYS 93 Cb -0.05 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1ixy s LYS 93 CO 0.37 -0.43 0.09 0.42 -0.36 0.00 0.00 175.35 175.45 1ixy s ILE 94 N -0.29 4.85 -0.28 5.43 1.01 -0.83 -4.30 121.20 126.79 1ixy s ILE 94 Ca 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 1ixy s ILE 94 Cb -0.43 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 38.90 1ixy s ILE 94 CO 0.47 0.42 -0.03 -0.31 0.00 0.00 0.00 174.94 175.50 1ixy s TYR 95 N -1.14 3.20 -0.42 3.97 2.02 -0.75 -0.81 117.35 123.42 1ixy s TYR 95 Ca 0.21 -1.81 -0.18 0.00 -0.37 0.00 0.00 57.07 54.92 1ixy s TYR 95 Cb -0.12 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1ixy s TYR 95 CO 0.11 -0.79 0.46 -0.47 -1.57 0.00 0.00 175.55 173.29 1ixy s TYR 96 N 1.26 3.16 -0.53 2.71 5.04 -0.17 -0.17 117.35 128.65 1ixy s TYR 96 Ca -0.04 -0.35 -0.28 0.00 -2.44 0.00 0.00 57.07 53.95 1ixy s TYR 96 Cb -0.19 -2.94 0.02 0.00 0.35 0.00 0.00 41.96 39.20 1ixy s TYR 96 CO -0.02 -0.72 1.27 -0.51 -1.34 0.00 0.00 175.55 174.23 1ixy s LEU 97 N 2.20 3.50 -0.76 6.97 1.43 -0.02 -1.40 118.68 130.59 1ixy s LEU 97 Ca 0.13 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 1ixy s LEU 97 Cb -0.17 -3.28 0.18 0.00 0.03 0.00 0.00 46.19 42.95 1ixy s LEU 97 CO 0.14 -1.49 0.77 0.12 0.23 0.00 0.00 176.35 176.12 1ixy s PHE 98 N 5.21 3.48 -0.31 0.29 5.36 -0.65 -1.27 117.98 130.08 1ixy s PHE 98 Ca 0.49 -1.65 0.14 0.00 -0.96 0.00 0.00 56.93 54.95 1ixy s PHE 98 Cb -0.09 -3.91 -0.19 0.00 -0.34 0.00 0.00 43.02 38.49 1ixy s PHE 98 CO 0.28 -1.11 0.44 0.25 -1.46 0.00 0.00 175.22 173.62 1ixy n THR 99 N 4.62 0.00 -4.03 0.12 -2.24 -1.26 -1.14 114.28 110.35 1ixy n THR 99 Ca 0.07 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 1ixy n THR 99 Cb 0.45 0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 69.07 1ixy n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ixy s ASP 100 N -3.06 3.91 0.63 3.42 3.68 -1.26 -4.93 116.67 119.06 1ixy s ASP 100 Ca -0.01 -1.14 0.21 0.00 2.13 0.00 0.00 52.55 53.74 1ixy s ASP 100 Cb 0.10 -1.39 0.95 0.00 -1.45 0.00 0.00 42.92 41.13 1ixy s ASP 100 CO 0.59 -0.17 1.48 -0.29 0.13 0.00 0.00 175.17 176.92 1ixy h ILE 101 N 6.56 0.08 -0.40 4.11 6.09 -1.96 0.51 117.51 132.51 1ixy h ILE 101 Ca -0.24 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1ixy h ILE 101 Cb 1.07 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1ixy h ILE 101 CO 0.47 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 176.09 1ixy n ARG 102 N -3.09 2.26 -2.37 2.19 1.74 -1.26 -4.42 116.66 111.71 1ixy n ARG 102 Ca 0.09 -1.92 -0.26 0.00 -0.77 0.00 0.00 57.85 54.98 1ixy n ARG 102 Cb 0.97 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1ixy n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ixy n LEU 103 N 1.11 4.74 -4.75 0.55 4.77 0.18 -4.89 117.00 118.71 1ixy n LEU 103 Ca 0.19 -5.10 -0.36 0.00 -0.03 0.00 0.00 56.01 50.70 1ixy n LEU 103 Cb 0.50 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1ixy n LEU 103 CO 0.14 2.20 0.85 -2.16 -1.33 0.00 0.00 177.39 177.09 1ixy s PRO 104 N -3.55 2.94 0.50 3.23 0.04 -1.26 -4.06 135.00 132.83 1ixy s PRO 104 Ca 0.49 1.84 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 1ixy s PRO 104 Cb 0.40 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.96 1ixy s PRO 104 CO -0.14 -1.24 1.34 0.12 0.04 0.00 0.00 177.00 177.13 1ixy s PHE 105 N -1.58 2.44 -0.21 0.56 5.36 -1.26 -4.89 117.98 118.40 1ixy s PHE 105 Ca 0.78 1.37 -0.27 0.00 -0.96 0.00 0.00 56.93 57.85 1ixy s PHE 105 Cb -0.31 -3.76 0.09 0.00 -0.34 0.00 0.00 43.02 38.70 1ixy s PHE 105 CO 0.34 -2.67 0.84 -1.54 -1.46 0.00 0.00 175.22 170.73 1ixy s SER 106 N -0.89 -0.59 0.72 6.13 1.04 -1.26 -4.81 113.70 114.03 1ixy s SER 106 Ca 0.67 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 1ixy s SER 106 Cb -0.39 0.93 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1ixy s SER 106 CO 0.48 -0.32 1.21 -1.10 0.98 0.00 0.00 173.24 174.50 1ixy s GLN 107 N -0.22 2.22 -0.01 4.02 -1.52 -1.26 -4.95 119.66 117.93 1ixy s GLN 107 Ca -0.02 1.78 0.10 0.00 -1.95 0.00 0.00 55.36 55.27 1ixy s GLN 107 Cb -0.03 -1.84 -0.14 0.00 -0.22 0.00 0.00 33.01 30.78 1ixy s GLN 107 CO 0.01 -1.78 0.28 -1.13 -0.25 0.00 0.00 175.29 172.42 1ixy n SER 108 N -2.60 2.00 -0.10 5.90 3.41 -1.26 -4.60 113.62 116.37 1ixy n SER 108 Ca 0.14 -0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1ixy n SER 108 Cb 0.50 1.30 -0.01 0.00 -0.26 0.00 0.00 64.21 65.75 1ixy n SER 108 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1ixy h TRP 109 N 0.00 0.43 -0.83 7.33 -0.00 -1.92 0.12 115.95 121.08 1ixy h TRP 109 Ca 0.00 0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.07 1ixy h TRP 109 Cb 0.38 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.16 29.34 1ixy h TRP 109 CO 0.00 0.27 0.55 -1.35 -0.00 0.00 0.00 178.44 177.90 1ixy h PRO 110 N 0.46 0.41 0.01 2.65 0.11 -2.00 0.25 132.00 133.89 1ixy h PRO 110 Ca 0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ixy h PRO 110 Cb -0.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1ixy h PRO 110 CO -0.03 0.27 -0.00 -0.97 -0.21 0.00 0.00 178.00 177.06 1ixy h ASN 111 N 0.42 -0.01 -0.53 -2.05 -0.00 -1.61 -3.35 115.58 108.45 1ixy h ASN 111 Ca 0.42 -0.73 -0.01 0.00 -0.00 0.00 0.00 56.30 55.97 1ixy h ASN 111 Cb 0.99 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.28 1ixy h ASN 111 CO -0.15 0.74 0.28 0.58 -0.00 0.00 0.00 177.43 178.88 1ixy h VAL 112 N -0.77 1.19 -0.09 2.57 2.07 -0.16 -3.04 116.25 118.02 1ixy h VAL 112 Ca -0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1ixy h VAL 112 Cb 0.74 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1ixy h VAL 112 CO 0.00 0.21 0.13 0.07 0.02 0.00 0.00 177.57 178.00 1ixy h LYS 113 N 0.71 0.00 -0.73 1.57 2.10 -1.11 -0.51 116.57 118.61 1ixy h LYS 113 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1ixy h LYS 113 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1ixy h LYS 113 CO -0.03 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.51 1ixy n ASN 114 N -3.56 4.16 -4.87 7.07 3.02 -1.15 -4.77 115.26 115.16 1ixy n ASN 114 Ca -0.01 -2.09 -0.33 0.00 -0.03 0.00 0.00 54.58 52.12 1ixy n ASN 114 Cb 0.23 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 1ixy n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ixy s ARG 115 N -1.18 3.82 0.62 3.52 1.81 -0.20 -4.97 118.95 122.38 1ixy s ARG 115 Ca 0.50 0.29 0.35 0.00 -1.72 0.00 0.00 55.73 55.15 1ixy s ARG 115 Cb 0.27 -2.71 2.01 0.00 -0.45 0.00 0.00 34.95 34.08 1ixy s ARG 115 CO 0.32 0.36 2.26 -1.00 -0.68 0.00 0.00 175.30 176.55 1ixy h PRO 116 N 2.76 0.00 -0.80 3.54 0.13 -1.92 -1.11 132.00 134.60 1ixy h PRO 116 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1ixy h PRO 116 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1ixy h PRO 116 CO 0.69 0.00 0.38 -2.67 -0.23 0.00 0.00 178.00 176.17 1ixy n TRP 117 N -3.51 2.59 0.25 1.56 4.27 -1.26 -4.57 117.44 116.77 1ixy n TRP 117 Ca -0.02 -1.43 0.09 0.00 -3.89 0.00 0.00 57.50 52.24 1ixy n TRP 117 Cb 0.13 -0.76 0.63 0.00 -1.36 0.00 0.00 31.31 29.95 1ixy n TRP 117 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ixy h ALA 118 N 2.04 1.69 0.00 -1.67 0.00 -1.33 -2.23 119.26 117.76 1ixy h ALA 118 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ixy h ALA 118 Cb 2.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1ixy h ALA 118 CO 0.84 0.13 0.00 2.48 0.00 0.00 0.00 179.25 182.70 1ixy n TYR 119 N -4.20 0.00 0.11 0.00 4.11 -1.26 -1.86 117.16 114.05 1ixy n TYR 119 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.93 1ixy n TYR 119 Cb 0.18 -0.29 0.01 0.00 -0.00 0.00 0.00 39.34 39.23 1ixy n TYR 119 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1ixy h LEU 120 N 0.00 0.00 -9.21 -3.48 3.38 -1.78 -3.47 115.31 100.75 1ixy h LEU 120 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1ixy h LEU 120 Cb 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.67 1ixy h LEU 120 CO 0.00 0.32 -0.55 -0.31 0.09 0.00 0.00 178.44 177.99 1ixy s TYR 121 N -3.09 1.74 0.11 1.13 1.51 -0.78 -5.18 117.35 112.79 1ixy s TYR 121 Ca 0.01 -1.26 -0.05 0.00 -1.01 0.00 0.00 57.07 54.76 1ixy s TYR 121 Cb 0.08 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 1ixy s TYR 121 CO 0.77 -0.33 0.13 0.95 -1.11 0.00 0.00 175.55 175.95 1ixy s THR 122 N -3.39 0.14 0.22 -0.71 -4.23 -1.26 -4.94 115.64 101.46 1ixy s THR 122 Ca 0.31 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 59.20 1ixy s THR 122 Cb 0.05 -1.65 0.16 0.00 1.34 0.00 0.00 72.50 72.41 1ixy s THR 122 CO 0.16 -0.62 1.84 -0.08 -0.54 0.00 0.00 174.62 175.38 1ixy h GLU 123 N 2.83 0.83 -0.58 3.99 4.81 -1.96 -1.30 114.58 123.19 1ixy h GLU 123 Ca -0.34 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1ixy h GLU 123 Cb 1.19 -0.19 -0.11 0.00 0.63 0.00 0.00 28.75 30.27 1ixy h GLU 123 CO 0.57 0.55 -0.15 1.49 -0.73 0.00 0.00 179.01 180.74 1ixy h GLU 124 N 0.86 -0.01 0.00 1.92 4.57 -1.96 0.17 114.58 120.13 1ixy h GLU 124 Ca 0.31 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1ixy h GLU 124 Cb 0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1ixy h GLU 124 CO -0.14 -0.00 -0.56 1.05 -1.18 0.00 0.00 179.01 178.18 1ixy h GLU 125 N -0.01 0.00 0.00 1.92 4.11 -1.85 -3.40 114.58 115.36 1ixy h GLU 125 Ca 0.28 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.35 1ixy h GLU 125 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1ixy h GLU 125 CO -0.60 0.24 -2.36 1.28 0.07 0.00 0.00 179.01 177.63 1ixy n LEU 126 N -3.05 2.73 -4.67 3.06 4.77 -0.54 -4.20 117.00 115.10 1ixy n LEU 126 Ca 0.01 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 1ixy n LEU 126 Cb 0.66 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1ixy n LEU 126 CO 0.39 0.87 1.55 -0.22 -1.33 0.00 0.00 177.39 178.64 1ixy s LEU 127 N -6.32 4.42 -0.57 2.23 2.96 0.54 -4.63 118.68 117.31 1ixy s LEU 127 Ca -0.30 2.65 -0.20 0.00 -0.22 0.00 0.00 54.13 56.05 1ixy s LEU 127 Cb 0.08 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.30 1ixy s LEU 127 CO 0.57 -1.03 0.76 -0.63 -1.32 0.00 0.00 176.35 174.70 1ixy s ILE 128 N 4.01 4.69 -1.06 6.68 1.01 -1.26 -4.72 121.20 130.55 1ixy s ILE 128 Ca 0.85 -0.50 0.24 0.00 0.00 0.00 0.00 60.65 61.24 1ixy s ILE 128 Cb -0.42 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 37.56 1ixy s ILE 128 CO 0.39 -1.06 1.31 0.29 0.00 0.00 0.00 174.94 175.87 1ixy n LYS 129 N 6.68 0.07 -1.50 2.79 5.02 -1.26 -4.93 118.16 125.03 1ixy n LYS 129 Ca -0.06 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 1ixy n LYS 129 Cb 0.45 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.05 1ixy n LYS 129 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ixy s SER 130 N -2.96 4.28 0.26 4.39 0.01 -1.26 -4.94 113.70 113.47 1ixy s SER 130 Ca 0.11 2.42 -0.29 0.00 1.31 0.00 0.00 55.95 59.49 1ixy s SER 130 Cb 0.17 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 1ixy s SER 130 CO 0.72 -2.21 1.22 -2.16 0.41 0.00 0.00 173.24 171.22 1ixy s PRO 131 N -3.79 4.48 0.02 12.44 0.04 -1.26 -4.80 135.00 142.13 1ixy s PRO 131 Ca 0.76 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.86 1ixy s PRO 131 Cb -0.31 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1ixy s PRO 131 CO 0.44 -0.05 -0.20 0.42 0.04 0.00 0.00 177.00 177.64 1ixy s ILE 132 N -0.68 2.60 -0.22 0.56 1.01 0.19 -1.96 121.20 122.69 1ixy s ILE 132 Ca 0.50 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1ixy s ILE 132 Cb -0.35 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1ixy s ILE 132 CO 0.43 0.40 -0.13 -0.75 0.00 0.00 0.00 174.94 174.89 1ixy s LYS 133 N -1.21 2.76 -0.20 2.79 2.20 0.01 -1.27 119.74 124.82 1ixy s LYS 133 Ca 0.13 -1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 54.50 1ixy s LYS 133 Cb -0.10 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.41 1ixy s LYS 133 CO 0.03 -0.36 0.76 0.08 -0.36 0.00 0.00 175.35 175.50 1ixy s VAL 134 N 1.26 4.92 -0.58 4.02 1.01 0.12 -1.00 120.40 130.15 1ixy s VAL 134 Ca -0.00 1.45 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 1ixy s VAL 134 Cb -0.16 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.31 1ixy s VAL 134 CO -0.08 0.02 0.44 -0.63 0.00 0.00 0.00 175.10 174.85 1ixy s ILE 135 N 2.29 4.24 0.24 2.22 1.01 -0.49 -1.24 121.20 129.47 1ixy s ILE 135 Ca 0.34 -2.28 -0.30 0.00 0.00 0.00 0.00 60.65 58.41 1ixy s ILE 135 Cb -0.16 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1ixy s ILE 135 CO 0.10 -0.85 1.07 -0.55 0.00 0.00 0.00 174.94 174.72 1ixy s SER 136 N 1.94 7.34 0.19 3.58 0.15 -0.55 -1.64 113.70 124.70 1ixy s SER 136 Ca 0.11 2.15 0.10 0.00 0.70 0.00 0.00 55.95 59.02 1ixy s SER 136 Cb -0.21 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 1ixy s SER 136 CO -0.03 -0.11 1.38 -0.61 1.20 0.00 0.00 173.24 175.06 1ixy h GLN 137 N 4.31 0.00 -6.33 5.44 5.75 -1.32 -1.96 115.11 120.99 1ixy h GLN 137 Ca -0.46 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.50 1ixy h GLN 137 Cb 1.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 1ixy h GLN 137 CO 0.69 0.80 0.10 0.20 -2.65 0.00 0.00 178.83 177.97 1ixy s GLY 138 N -4.60 2.78 0.35 2.39 0.00 -1.26 -4.63 107.32 102.35 1ixy s GLY 138 Ca 0.02 0.22 0.06 0.00 0.00 0.00 0.00 44.72 45.01 1ixy s GLY 138 CO 0.79 0.83 1.87 1.19 0.00 0.00 0.00 173.10 177.78 1ixy h ILE 139 N 3.72 1.20 -0.95 0.90 6.09 -1.81 -3.39 117.51 123.26 1ixy h ILE 139 Ca -0.46 -0.83 -0.44 0.00 -1.37 0.00 0.00 64.86 61.75 1ixy h ILE 139 Cb 1.21 1.07 -0.07 0.00 0.47 0.00 0.00 36.82 39.50 1ixy h ILE 139 CO 0.67 0.27 1.10 0.21 -3.07 0.00 0.00 178.15 177.34 1ixy s ASN 140 N -6.79 5.78 0.00 2.19 3.84 -1.26 -4.83 114.94 113.86 1ixy s ASN 140 Ca -0.07 -1.00 0.11 0.00 0.21 0.00 0.00 52.86 52.11 1ixy s ASN 140 Cb 0.15 -2.56 0.52 0.00 -0.55 0.00 0.00 41.25 38.80 1ixy s ASN 140 CO 0.76 -2.16 1.28 0.18 -2.79 0.00 0.00 177.10 174.37 1ixy n LEU 141 N 11.57 0.00 0.01 3.21 4.77 -1.26 -2.51 117.00 132.79 1ixy n LEU 141 Ca 0.36 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.52 1ixy n LEU 141 Cb 0.49 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1ixy n LEU 141 CO 0.63 -0.23 0.20 0.44 -1.33 0.00 0.00 177.39 177.10 1ixy h ASP 142 N 0.00 0.58 -0.19 -1.43 3.32 -1.95 0.38 116.42 117.13 1ixy h ASP 142 Ca 0.00 -0.78 -0.06 0.00 0.02 0.00 0.00 57.03 56.21 1ixy h ASP 142 Cb 0.13 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1ixy h ASP 142 CO 0.00 1.28 -0.07 0.40 -1.72 0.00 0.00 179.24 179.13 1ixy h ILE 143 N -0.07 1.22 -0.01 0.35 2.04 -1.91 0.03 117.51 119.17 1ixy h ILE 143 Ca -0.09 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1ixy h ILE 143 Cb 1.40 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1ixy h ILE 143 CO 0.13 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.59 1ixy h ALA 144 N 1.44 0.01 -0.18 1.87 0.00 -1.47 -2.60 119.26 118.33 1ixy h ALA 144 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ixy h ALA 144 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ixy h ALA 144 CO 0.02 -0.34 -0.16 0.87 0.00 0.00 0.00 179.25 179.64 1ixy h LYS 145 N -0.30 0.30 0.00 0.00 1.57 -0.65 -2.30 116.57 115.20 1ixy h LYS 145 Ca 0.00 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1ixy h LYS 145 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1ixy h LYS 145 CO 0.00 0.46 -0.34 0.00 -0.57 0.00 0.00 179.45 179.01 1ixy h ALA 146 N 1.56 1.42 -0.35 3.86 0.00 -0.90 -2.33 119.26 122.52 1ixy h ALA 146 Ca 0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1ixy h ALA 146 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ixy h ALA 146 CO 0.03 0.42 -0.24 0.00 0.00 0.00 0.00 179.25 179.46 1ixy h ALA 147 N 1.66 0.50 -1.00 0.00 0.00 -1.01 -2.89 119.26 116.53 1ixy h ALA 147 Ca -0.00 -0.39 -0.63 0.00 0.00 0.00 0.00 54.91 53.89 1ixy h ALA 147 Cb 0.60 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 17.98 1ixy h ALA 147 CO 0.04 0.49 0.81 0.72 0.00 0.00 0.00 179.25 181.31 1ixy n HIS 148 N -4.24 3.18 0.02 0.00 8.25 -1.09 -4.59 115.22 116.76 1ixy n HIS 148 Ca -0.03 -2.65 0.03 0.00 -0.26 0.00 0.00 57.72 54.82 1ixy n HIS 148 Cb 0.45 -1.29 0.39 0.00 1.12 0.00 0.00 29.99 30.66 1ixy n HIS 148 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1ixy h LYS 149 N 1.67 0.48 -0.73 -0.41 3.64 -1.20 -3.07 116.57 116.95 1ixy h LYS 149 Ca 0.62 -0.06 -0.43 0.00 -1.27 0.00 0.00 60.65 59.51 1ixy h LYS 149 Cb 1.49 -0.09 -0.24 0.00 -0.41 0.00 0.00 32.23 32.97 1ixy h LYS 149 CO 1.44 0.40 0.26 1.63 -2.27 0.00 0.00 179.45 180.91 1ixy n LYS 150 N -4.40 2.33 -3.88 1.90 5.02 -1.26 -4.87 118.16 113.00 1ixy n LYS 150 Ca 0.02 -3.27 -0.30 0.00 -2.02 0.00 0.00 58.31 52.74 1ixy n LYS 150 Cb 0.14 -2.08 -0.15 0.00 -0.02 0.00 0.00 35.03 32.92 1ixy n LYS 150 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ixy s VAL 151 N -3.74 1.68 0.41 -0.18 1.01 -1.16 -5.00 120.40 113.42 1ixy s VAL 151 Ca 0.53 -2.02 0.15 0.00 0.00 0.00 0.00 61.98 60.65 1ixy s VAL 151 Cb 0.45 -2.24 0.36 0.00 0.00 0.00 0.00 36.38 34.94 1ixy s VAL 151 CO 0.03 -0.66 1.90 -2.24 0.00 0.00 0.00 175.10 174.13 1ixy h ASP 152 N 7.71 0.44 0.40 3.32 2.03 -1.89 -2.27 116.42 126.16 1ixy h ASP 152 Ca -0.08 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1ixy h ASP 152 Cb 1.01 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1ixy h ASP 152 CO 0.51 0.21 -0.12 -0.46 -1.03 0.00 0.00 179.24 178.35 1ixy n ASN 153 N -4.50 0.44 -4.55 4.15 6.94 -1.26 -4.59 115.26 111.89 1ixy n ASN 153 Ca 0.16 -0.50 -0.41 0.00 -0.02 0.00 0.00 54.58 53.81 1ixy n ASN 153 Cb 0.56 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.87 1ixy n ASN 153 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ixy s VAL 154 N -2.52 3.97 -0.26 3.53 1.01 -0.86 0.52 120.40 125.80 1ixy s VAL 154 Ca 0.27 -0.76 0.13 0.00 0.00 0.00 0.00 61.98 61.62 1ixy s VAL 154 Cb 0.20 -5.03 0.63 0.00 0.00 0.00 0.00 36.38 32.18 1ixy s VAL 154 CO 0.49 -1.90 1.60 2.30 0.00 0.00 0.00 175.10 177.59 1ixy n ILE 155 N 6.75 2.62 -3.64 2.22 -6.64 -0.40 -4.91 119.36 115.37 1ixy n ILE 155 Ca 0.31 -1.89 -0.10 0.00 -1.77 0.00 0.00 62.75 59.29 1ixy n ILE 155 Cb 0.51 -0.31 -0.07 0.00 -1.44 0.00 0.00 39.64 38.33 1ixy n ILE 155 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1ixy s GLU 156 N -2.96 0.66 0.00 6.28 2.12 -1.10 -4.99 118.70 118.71 1ixy s GLU 156 Ca 0.49 0.85 0.03 0.00 0.36 0.00 0.00 54.97 56.69 1ixy s GLU 156 Cb 0.40 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 35.06 1ixy s GLU 156 CO 0.10 -0.09 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.58 1ixy s PHE 157 N 0.57 0.77 -0.22 5.30 0.08 -1.26 0.15 117.98 123.37 1ixy s PHE 157 Ca -0.01 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 56.69 1ixy s PHE 157 Cb -0.05 -0.48 0.06 0.00 -0.57 0.00 0.00 43.02 41.98 1ixy s PHE 157 CO -0.06 -0.01 0.56 -2.00 -0.10 0.00 0.00 175.22 173.61 1ixy s GLU 158 N -0.44 0.60 0.01 0.44 2.12 -0.37 -4.96 118.70 116.10 1ixy s GLU 158 Ca 0.02 0.92 -0.26 0.00 0.36 0.00 0.00 54.97 56.01 1ixy s GLU 158 Cb -0.04 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1ixy s GLU 158 CO -0.00 -0.12 0.80 -0.47 -0.54 0.00 0.00 175.26 174.93 1ixy s TYR 159 N 1.01 3.68 -0.27 5.30 5.04 -1.26 -1.49 117.35 129.36 1ixy s TYR 159 Ca -0.06 1.47 -0.08 0.00 -2.44 0.00 0.00 57.07 55.96 1ixy s TYR 159 Cb -0.06 -2.89 0.13 0.00 0.35 0.00 0.00 41.96 39.49 1ixy s TYR 159 CO -0.09 0.16 0.57 0.12 -1.34 0.00 0.00 175.55 174.96 1ixy s PHE 160 N 0.42 -1.21 -0.91 4.97 5.36 -0.74 -4.95 117.98 120.92 1ixy s PHE 160 Ca 0.41 1.97 -0.25 0.00 -0.96 0.00 0.00 56.93 58.10 1ixy s PHE 160 Cb -0.20 0.61 -0.19 0.00 -0.34 0.00 0.00 43.02 42.90 1ixy s PHE 160 CO 0.23 -0.65 1.94 -0.35 -1.46 0.00 0.00 175.22 174.93 1ixy n PRO 161 N 5.43 0.86 -0.15 10.12 -0.04 -1.26 -4.34 135.00 145.62 1ixy n PRO 161 Ca -0.09 -1.91 -0.04 0.00 -0.04 0.00 0.00 63.50 61.42 1ixy n PRO 161 Cb 0.49 -3.49 0.05 0.00 -0.04 0.00 0.00 33.50 30.51 1ixy n PRO 161 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ixy h ILE 162 N 5.89 0.88 0.00 0.52 2.04 -1.87 -2.90 117.51 122.06 1ixy h ILE 162 Ca 0.19 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1ixy h ILE 162 Cb 0.88 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1ixy h ILE 162 CO 1.39 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 178.99 1ixy n GLU 163 N -4.98 0.30 0.00 2.37 1.02 -1.26 -2.20 120.64 115.89 1ixy n GLU 163 Ca 0.04 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1ixy n GLU 163 Cb 0.17 -1.04 0.53 0.00 -0.02 0.00 0.00 31.44 31.08 1ixy n GLU 163 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ixy n GLN 164 N -0.54 0.63 -0.14 3.49 6.02 -1.10 -4.22 117.38 121.53 1ixy n GLN 164 Ca 0.01 -0.26 0.25 0.00 -0.01 0.00 0.00 57.00 56.98 1ixy n GLN 164 Cb 0.00 -1.49 0.69 0.00 1.02 0.00 0.00 30.24 30.46 1ixy n GLN 164 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1ixy h TYR 165 N 0.64 0.06 -0.61 1.08 -0.00 -1.69 -2.10 116.97 114.35 1ixy h TYR 165 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 1ixy h TYR 165 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 36.73 37.09 1ixy h TYR 165 CO 0.00 0.02 0.23 -0.22 -0.00 0.00 0.00 178.16 178.19 1ixy h LYS 166 N 0.05 0.92 0.00 0.10 3.64 -1.88 -2.70 116.57 116.70 1ixy h LYS 166 Ca 0.38 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1ixy h LYS 166 Cb 1.45 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1ixy h LYS 166 CO -0.02 0.79 0.00 -0.84 -2.27 0.00 0.00 179.45 177.11 1ixy h ILE 167 N 0.86 0.00 -0.00 2.00 3.07 -1.70 -3.22 117.51 118.51 1ixy h ILE 167 Ca 0.20 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1ixy h ILE 167 Cb 0.22 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1ixy h ILE 167 CO -0.01 0.00 -0.50 1.41 -1.05 0.00 0.00 178.15 177.99 1ixy n HIS 168 N -2.99 0.00 -1.70 0.16 8.25 -1.04 -4.82 115.22 113.07 1ixy n HIS 168 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1ixy n HIS 168 Cb 0.40 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 1ixy n HIS 168 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ixy n MET 169 N -1.23 2.13 -0.32 -0.41 2.81 -1.08 -4.86 117.12 114.16 1ixy n MET 169 Ca 0.07 0.75 0.11 0.00 -1.81 0.00 0.00 57.70 56.81 1ixy n MET 169 Cb 0.34 -2.36 0.32 0.00 -0.71 0.00 0.00 33.22 30.81 1ixy n MET 169 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ixy h ASN 170 N 2.50 0.78 -0.34 7.83 -0.26 -1.93 -2.01 115.58 122.16 1ixy h ASN 170 Ca -0.47 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.32 1ixy h ASN 170 Cb 1.28 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 1ixy h ASN 170 CO 0.62 0.38 0.01 -0.90 -1.06 0.00 0.00 177.43 176.48 1ixy n ASP 171 N -4.62 3.72 -4.72 5.81 5.75 -1.26 -4.96 116.55 116.26 1ixy n ASP 171 Ca 0.19 -2.55 -0.42 0.00 -0.01 0.00 0.00 54.79 52.01 1ixy n ASP 171 Cb 0.45 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 1ixy n ASP 171 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ixy s PHE 172 N -2.01 3.40 0.00 2.11 2.19 -0.76 -5.04 117.98 117.88 1ixy s PHE 172 Ca 0.31 1.29 0.00 0.00 0.33 0.00 0.00 56.93 58.86 1ixy s PHE 172 Cb 0.24 -3.47 -0.00 0.00 -1.31 0.00 0.00 43.02 38.48 1ixy s PHE 172 CO 0.09 -1.44 -0.01 -0.65 1.83 0.00 0.00 175.22 175.05 1ixy s GLN 173 N 0.55 0.07 0.65 10.12 -0.21 -1.26 -5.05 119.66 124.54 1ixy s GLN 173 Ca 0.57 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.67 1ixy s GLN 173 Cb -0.32 0.02 -0.00 0.00 1.00 0.00 0.00 33.01 33.71 1ixy s GLN 173 CO 0.32 -0.01 1.11 -0.51 -2.12 0.00 0.00 175.29 174.09 1ixy s LEU 174 N -0.31 3.41 0.36 2.90 1.43 -1.26 -4.97 118.68 120.24 1ixy s LEU 174 Ca -0.03 2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 54.82 1ixy s LEU 174 Cb -0.02 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 1ixy s LEU 174 CO -0.00 -1.62 1.15 -0.44 0.23 0.00 0.00 176.35 175.67 1ixy s SER 175 N -2.53 6.75 0.71 2.29 0.01 -0.57 -5.04 113.70 115.33 1ixy s SER 175 Ca 0.67 2.33 -0.10 0.00 1.31 0.00 0.00 55.95 60.16 1ixy s SER 175 Cb -0.21 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.44 1ixy s SER 175 CO 0.41 -0.51 1.07 -0.54 0.41 0.00 0.00 173.24 174.08 1ixy s LYS 176 N -2.06 2.59 0.15 12.44 3.01 -1.26 -4.60 119.74 130.01 1ixy s LYS 176 Ca 0.53 0.22 -0.33 0.00 -1.01 0.00 0.00 55.97 55.38 1ixy s LYS 176 Cb -0.31 -2.07 -0.13 0.00 -1.01 0.00 0.00 37.83 34.31 1ixy s LYS 176 CO 0.39 -1.13 1.65 -2.30 0.51 0.00 0.00 175.35 174.48 1ixy n PRO 177 N -2.99 2.34 -4.55 -1.68 -0.02 -1.26 -4.71 135.00 122.13 1ixy n PRO 177 Ca 0.07 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 62.10 1ixy n PRO 177 Cb 0.58 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 1ixy n PRO 177 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ixy s THR 178 N 1.30 2.28 -0.04 3.45 2.01 -1.26 -5.09 115.64 118.29 1ixy s THR 178 Ca 0.79 -1.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1ixy s THR 178 Cb -0.63 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1ixy s THR 178 CO 0.37 0.18 1.45 -0.75 -0.69 0.00 0.00 174.62 175.19 1ixy s LYS 179 N -1.80 4.24 0.02 4.92 2.20 -1.26 -4.96 119.74 123.10 1ixy s LYS 179 Ca 0.14 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.42 1ixy s LYS 179 Cb -0.10 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1ixy s LYS 179 CO 0.05 -0.68 1.10 0.15 -0.36 0.00 0.00 175.35 175.61 1ixy s LYS 180 N 3.06 4.48 0.00 4.03 -0.14 -1.26 -4.82 119.74 125.08 1ixy s LYS 180 Ca 0.65 1.59 0.00 0.00 -1.36 0.00 0.00 55.97 56.86 1ixy s LYS 180 Cb -0.30 -3.42 -0.00 0.00 -1.68 0.00 0.00 37.83 32.42 1ixy s LYS 180 CO 0.25 -0.19 0.06 0.25 -0.76 0.00 0.00 175.35 174.97 1ixy n THR 181 N 4.01 0.00 -4.18 2.17 -2.24 -0.45 -5.04 114.28 108.54 1ixy n THR 181 Ca 0.08 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1ixy n THR 181 Cb 0.48 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 1ixy n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ixy s LEU 182 N -1.81 2.38 -0.20 3.22 1.43 -0.74 -5.02 118.68 117.95 1ixy s LEU 182 Ca 0.00 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 1ixy s LEU 182 Cb 0.00 -0.03 -0.19 0.00 0.03 0.00 0.00 46.19 46.00 1ixy s LEU 182 CO 0.01 -0.51 0.18 0.47 0.23 0.00 0.00 176.35 176.73 1ixy n ASP 183 N -0.08 1.90 -4.06 2.29 8.00 -0.07 -1.43 116.55 123.10 1ixy n ASP 183 Ca -0.11 0.38 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 1ixy n ASP 183 Cb 0.61 -0.94 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 1ixy n ASP 183 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ixy s VAL 184 N -2.40 0.47 -0.06 2.53 1.01 -1.17 -0.69 120.40 120.10 1ixy s VAL 184 Ca -0.29 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.36 1ixy s VAL 184 Cb 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1ixy s VAL 184 CO 0.60 -0.49 0.35 -0.51 0.00 0.00 0.00 175.10 175.05 1ixy s ILE 185 N -1.78 0.04 -0.07 2.22 2.07 -0.83 -2.58 121.20 120.27 1ixy s ILE 185 Ca -0.08 -0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 58.83 1ixy s ILE 185 Cb -0.07 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 41.95 1ixy s ILE 185 CO -0.01 -0.16 0.17 -0.47 -1.91 0.00 0.00 174.94 172.56 1ixy s TYR 186 N -0.81 -0.19 -0.09 3.50 6.14 -0.92 -2.73 117.35 122.24 1ixy s TYR 186 Ca -0.09 0.51 0.04 0.00 0.64 0.00 0.00 57.07 58.16 1ixy s TYR 186 Cb -0.04 -0.01 -0.01 0.00 0.42 0.00 0.00 41.96 42.32 1ixy s TYR 186 CO 0.03 -0.15 -0.21 0.20 0.64 0.00 0.00 175.55 176.07 1ixy s GLY 187 N 0.78 1.39 0.00 8.97 0.00 -1.26 -1.55 107.32 115.65 1ixy s GLY 187 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1ixy s GLY 187 CO -0.04 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.26 1ixy n GLY 188 N 3.28 -1.53 2.28 0.20 0.00 -0.86 -5.00 105.19 103.56 1ixy n GLY 188 Ca -0.18 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 1ixy n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ixy n SER 189 N 2.18 2.17 0.23 1.61 3.41 -1.26 -2.40 113.62 119.56 1ixy n SER 189 Ca 0.00 -2.17 0.11 0.00 -0.26 0.00 0.00 58.87 56.54 1ixy n SER 189 Cb 0.00 0.01 0.49 0.00 -0.26 0.00 0.00 64.21 64.45 1ixy n SER 189 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ixy h PHE 190 N 0.68 0.00 -6.62 7.33 3.57 -1.94 -3.44 116.94 116.51 1ixy h PHE 190 Ca -0.22 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.76 1ixy h PHE 190 Cb 0.77 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.39 1ixy h PHE 190 CO 0.00 0.20 -0.87 0.54 -2.23 0.00 0.00 178.31 175.95 1ixy n ARG 191 N -3.38 -3.12 -3.36 1.11 1.74 -1.26 -1.73 116.66 106.66 1ixy n ARG 191 Ca 0.00 0.37 -0.24 0.00 -0.77 0.00 0.00 57.85 57.22 1ixy n ARG 191 Cb 0.41 -4.68 0.00 0.00 -1.02 0.00 0.00 32.46 27.17 1ixy n ARG 191 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ixy n SER 192 N -2.86 -4.04 0.00 0.55 7.64 -1.26 -2.16 113.62 111.49 1ixy n SER 192 Ca -0.17 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1ixy n SER 192 Cb 0.62 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 1ixy n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixy n GLY 193 N -1.24 0.48 0.13 0.23 0.00 -0.71 -4.85 105.19 99.23 1ixy n GLY 193 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1ixy n GLY 193 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ixy n GLN 194 N -1.85 0.12 -0.09 1.61 1.13 -0.92 -1.83 117.38 115.56 1ixy n GLN 194 Ca 0.00 0.57 0.03 0.00 -1.94 0.00 0.00 57.00 55.66 1ixy n GLN 194 Cb 0.04 -1.86 0.04 0.00 0.11 0.00 0.00 30.24 28.57 1ixy n GLN 194 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ixy n ARG 195 N -2.11 1.53 -0.28 -1.09 1.74 -1.26 -4.61 116.66 110.58 1ixy n ARG 195 Ca -0.01 -1.54 0.13 0.00 -0.77 0.00 0.00 57.85 55.66 1ixy n ARG 195 Cb 0.06 -0.98 0.39 0.00 -1.02 0.00 0.00 32.46 30.91 1ixy n ARG 195 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ixy h GLU 196 N 0.00 0.65 -0.19 5.56 4.81 -1.68 0.40 114.58 124.13 1ixy h GLU 196 Ca 0.00 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1ixy h GLU 196 Cb 0.86 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ixy h GLU 196 CO 0.00 0.43 -0.53 1.03 -0.73 0.00 0.00 179.01 179.21 1ixy h SER 197 N 0.67 0.60 0.01 1.04 0.87 -1.88 -1.90 113.55 112.96 1ixy h SER 197 Ca 0.47 -0.31 -0.26 0.00 -1.23 0.00 0.00 61.79 60.46 1ixy h SER 197 Cb 0.80 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1ixy h SER 197 CO -0.22 1.01 -0.99 0.11 -0.53 0.00 0.00 176.83 176.22 1ixy h LYS 198 N 0.42 0.69 -0.41 2.24 1.79 -1.61 -2.40 116.57 117.30 1ixy h LYS 198 Ca 0.01 -0.71 -0.03 0.00 -2.18 0.00 0.00 60.65 57.75 1ixy h LYS 198 Cb 1.06 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1ixy h LYS 198 CO 0.10 1.29 0.14 0.52 -1.08 0.00 0.00 179.45 180.42 1ixy h MET 199 N 0.41 0.62 -0.48 3.15 2.86 -0.94 -0.35 114.93 120.20 1ixy h MET 199 Ca -0.11 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 1ixy h MET 199 Cb 1.63 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1ixy h MET 199 CO 0.19 0.61 0.07 0.28 1.06 0.00 0.00 176.91 179.12 1ixy h VAL 200 N 0.51 1.22 0.68 -2.22 2.07 -1.42 0.40 116.25 117.50 1ixy h VAL 200 Ca 0.13 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1ixy h VAL 200 Cb 0.23 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1ixy h VAL 200 CO -0.01 0.30 -0.33 -0.08 0.02 0.00 0.00 177.57 177.48 1ixy h GLU 201 N 0.71 -0.88 -0.01 1.57 4.57 -0.87 -2.45 114.58 117.22 1ixy h GLU 201 Ca 0.15 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1ixy h GLU 201 Cb 0.33 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1ixy h GLU 201 CO 0.00 -0.57 -0.35 1.19 -1.18 0.00 0.00 179.01 178.11 1ixy n PHE 202 N -5.47 0.00 0.00 0.92 3.72 -0.20 -4.19 117.46 112.25 1ixy n PHE 202 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1ixy n PHE 202 Cb 0.38 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1ixy n PHE 202 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1ixy n LEU 203 N -0.19 0.00 -4.76 4.37 4.77 0.13 -5.00 117.00 116.33 1ixy n LEU 203 Ca 0.11 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 1ixy n LEU 203 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1ixy n LEU 203 CO 0.26 0.00 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.70 1ixy s PHE 204 N -1.44 3.10 -1.48 -1.77 0.40 -0.92 -3.85 117.98 112.02 1ixy s PHE 204 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1ixy s PHE 204 Cb 0.00 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 42.02 1ixy s PHE 204 CO 0.00 0.51 0.42 -0.25 0.70 0.00 0.00 175.22 176.61 1ixy n ASP 205 N 0.11 -0.65 -0.02 1.36 8.00 -0.39 -4.77 116.55 120.19 1ixy n ASP 205 Ca -0.09 -1.04 0.05 0.00 0.71 0.00 0.00 54.79 54.41 1ixy n ASP 205 Cb 0.53 -2.81 -0.12 0.00 -0.02 0.00 0.00 41.12 38.70 1ixy n ASP 205 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ixy n THR 206 N -4.42 0.23 -0.16 -3.53 -2.24 -1.26 -4.98 114.28 97.92 1ixy n THR 206 Ca -0.25 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1ixy n THR 206 Cb 0.65 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1ixy n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ixy n GLY 207 N 1.71 1.73 3.98 3.38 0.00 -1.26 -5.01 105.19 109.72 1ixy n GLY 207 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1ixy n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixy s LEU 208 N 0.00 3.22 -0.69 0.99 1.43 -1.26 -5.03 118.68 117.34 1ixy s LEU 208 Ca 0.00 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 1ixy s LEU 208 Cb 0.00 -2.69 0.11 0.00 0.03 0.00 0.00 46.19 43.64 1ixy s LEU 208 CO 0.00 -1.26 0.85 0.20 0.23 0.00 0.00 176.35 176.37 1ixy s ASN 209 N -4.48 6.31 -0.02 2.29 -0.87 -1.26 -5.03 114.94 111.89 1ixy s ASN 209 Ca 0.59 -1.56 0.05 0.00 -1.57 0.00 0.00 52.86 50.37 1ixy s ASN 209 Cb -0.09 -2.34 -0.03 0.00 -0.02 0.00 0.00 41.25 38.77 1ixy s ASN 209 CO 0.39 -1.14 -0.16 -0.63 -2.57 0.00 0.00 177.10 172.99 1ixy s ILE 210 N 2.80 2.89 -0.05 0.60 1.01 -1.26 -0.90 121.20 126.29 1ixy s ILE 210 Ca 0.19 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1ixy s ILE 210 Cb -0.18 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 1ixy s ILE 210 CO 0.03 0.52 -0.19 -0.70 0.00 0.00 0.00 174.94 174.60 1ixy s GLU 211 N -0.92 2.06 -0.48 2.79 2.12 -1.06 -0.76 118.70 122.44 1ixy s GLU 211 Ca 0.12 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1ixy s GLU 211 Cb -0.11 -1.73 0.13 0.00 0.26 0.00 0.00 34.13 32.68 1ixy s GLU 211 CO 0.02 0.24 0.23 0.12 -0.54 0.00 0.00 175.26 175.33 1ixy s PHE 212 N 0.11 3.43 0.53 5.30 2.19 0.35 -2.18 117.98 127.71 1ixy s PHE 212 Ca -0.07 -2.95 -0.03 0.00 0.33 0.00 0.00 56.93 54.21 1ixy s PHE 212 Cb -0.13 -2.97 0.00 0.00 -1.31 0.00 0.00 43.02 38.61 1ixy s PHE 212 CO 0.03 -0.84 0.80 -0.59 1.83 0.00 0.00 175.22 176.45 1ixy s PHE 213 N 0.24 3.24 -0.39 10.12 -0.71 -0.59 -3.02 117.98 126.86 1ixy s PHE 213 Ca 0.14 0.46 0.00 0.00 -1.04 0.00 0.00 56.93 56.49 1ixy s PHE 213 Cb -0.23 -2.54 0.00 0.00 -1.21 0.00 0.00 43.02 39.04 1ixy s PHE 213 CO -0.03 -0.61 0.00 0.41 -1.34 0.00 0.00 175.22 173.65 1ixy n GLY 214 N -2.35 0.48 0.47 1.99 0.00 -0.19 -2.03 105.19 103.55 1ixy n GLY 214 Ca 0.03 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 44.01 1ixy n GLY 214 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ixy n ASN 215 N 0.00 1.59 -4.81 1.61 5.15 -1.01 -2.98 115.26 114.81 1ixy n ASN 215 Ca 0.00 -1.37 -0.34 0.00 -0.60 0.00 0.00 54.58 52.27 1ixy n ASN 215 Cb 0.00 0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.28 1ixy n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ixy s ALA 216 N -2.20 3.03 0.09 5.20 0.00 -1.21 -4.70 121.76 121.96 1ixy s ALA 216 Ca 0.31 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.82 1ixy s ALA 216 Cb 0.20 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1ixy s ALA 216 CO 0.41 0.00 -0.15 1.03 0.00 0.00 0.00 175.76 177.05 1ixy s ARG 217 N -2.97 0.94 0.19 0.00 0.52 -1.26 -4.91 118.95 111.47 1ixy s ARG 217 Ca 0.61 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.62 1ixy s ARG 217 Cb -0.13 -0.93 0.22 0.00 0.52 0.00 0.00 34.95 34.63 1ixy s ARG 217 CO 0.18 0.20 1.74 1.49 0.02 0.00 0.00 175.30 178.92 1ixy h GLU 218 N 3.96 0.34 0.00 3.54 4.81 -1.97 -1.56 114.58 123.70 1ixy h GLU 218 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1ixy h GLU 218 Cb 1.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1ixy h GLU 218 CO 0.44 0.22 0.00 0.36 -0.73 0.00 0.00 179.01 179.30 1ixy n LYS 219 N -5.03 0.16 0.15 1.92 2.85 -1.26 -2.23 118.16 114.73 1ixy n LYS 219 Ca 0.07 0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.59 1ixy n LYS 219 Cb 0.24 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.25 1ixy n LYS 219 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1ixy h GLN 220 N 0.00 0.00 -4.61 -1.58 4.20 -1.70 -3.41 115.11 108.01 1ixy h GLN 220 Ca 0.00 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.00 1ixy h GLN 220 Cb 0.05 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.63 1ixy h GLN 220 CO 0.00 0.00 0.03 -0.06 -0.67 0.00 0.00 178.83 178.13 1ixy s PHE 221 N -3.25 3.06 0.00 2.96 0.40 -0.95 -4.73 117.98 115.47 1ixy s PHE 221 Ca 0.05 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.43 1ixy s PHE 221 Cb 0.08 -3.87 0.00 0.00 0.51 0.00 0.00 43.02 39.74 1ixy s PHE 221 CO 0.71 -1.19 0.28 0.36 0.70 0.00 0.00 175.22 176.08 1ixy n LYS 222 N 6.08 0.00 -1.97 0.44 2.85 -1.26 -5.03 118.16 119.27 1ixy n LYS 222 Ca -0.10 -0.28 -0.42 0.00 -1.05 0.00 0.00 58.31 56.46 1ixy n LYS 222 Cb 0.43 -0.49 -0.03 0.00 -0.65 0.00 0.00 35.03 34.29 1ixy n LYS 222 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1ixy s ASN 223 N 0.00 6.57 0.00 -5.58 3.04 -1.26 -4.84 114.94 112.87 1ixy s ASN 223 Ca 0.00 2.21 0.00 0.00 0.04 0.00 0.00 52.86 55.11 1ixy s ASN 223 Cb 0.00 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.18 1ixy s ASN 223 CO 0.00 -1.01 0.91 -0.81 -3.04 0.00 0.00 177.10 173.15 1ixy n PRO 224 N 7.29 0.00 0.07 0.43 -0.04 -1.26 -1.27 135.00 140.22 1ixy n PRO 224 Ca 0.18 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1ixy n PRO 224 Cb 0.43 -1.51 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 1ixy n PRO 224 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ixy h LYS 225 N 0.00 0.00 -1.89 0.54 1.79 -2.04 -3.37 116.57 111.60 1ixy h LYS 225 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 1ixy h LYS 225 Cb 0.02 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.26 1ixy h LYS 225 CO 0.00 0.00 -0.95 0.66 -1.08 0.00 0.00 179.45 178.08 1ixy n TYR 226 N -2.22 2.03 -0.65 -1.35 4.02 -0.40 -5.11 117.16 113.49 1ixy n TYR 226 Ca 0.03 -3.64 -0.31 0.00 -0.01 0.00 0.00 57.90 53.97 1ixy n TYR 226 Cb 0.46 -0.40 0.18 0.00 -0.02 0.00 0.00 39.34 39.56 1ixy n TYR 226 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1ixy n PRO 227 N -0.04 -1.17 -3.47 -0.72 -0.04 -1.25 -4.83 135.00 123.48 1ixy n PRO 227 Ca 0.26 -0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.31 1ixy n PRO 227 Cb 0.59 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1ixy n PRO 227 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1ixy s TRP 228 N -2.45 -0.48 0.00 0.54 1.48 -1.26 -5.05 118.94 111.73 1ixy s TRP 228 Ca 0.63 0.39 0.00 0.00 -1.06 0.00 0.00 56.10 56.06 1ixy s TRP 228 Cb -0.21 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.63 1ixy s TRP 228 CO 0.64 -0.69 0.00 2.41 -4.06 0.00 0.00 176.95 175.25 1ixy n THR 229 N -0.13 0.00 -4.03 0.66 -1.04 -1.26 -5.01 114.28 103.47 1ixy n THR 229 Ca -0.14 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.53 1ixy n THR 229 Cb 0.63 -1.13 -0.10 0.00 -1.82 0.00 0.00 70.33 67.90 1ixy n THR 229 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ixy s LYS 230 N -1.98 3.94 0.26 -2.82 -0.14 -1.26 -5.02 119.74 112.72 1ixy s LYS 230 Ca 0.00 -0.36 0.10 0.00 -1.36 0.00 0.00 55.97 54.35 1ixy s LYS 230 Cb 0.00 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.91 1ixy s LYS 230 CO 0.00 0.26 -0.10 0.00 -0.76 0.00 0.00 175.35 174.75 1ixy s ALA 231 N 0.40 2.96 1.01 5.17 0.00 -1.26 -1.27 121.76 128.76 1ixy s ALA 231 Ca 0.02 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 1ixy s ALA 231 Cb -0.13 -0.56 0.20 0.00 0.00 0.00 0.00 23.12 22.63 1ixy s ALA 231 CO 0.00 0.30 1.20 -1.25 0.00 0.00 0.00 175.76 176.02 1ixy s PRO 232 N -3.47 0.34 -0.21 0.00 0.04 -1.25 -4.93 135.00 125.53 1ixy s PRO 232 Ca 0.30 -0.09 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 1ixy s PRO 232 Cb -0.06 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1ixy s PRO 232 CO 0.17 -2.67 0.92 0.08 0.04 0.00 0.00 177.00 175.54 1ixy s VAL 233 N -3.45 4.79 -0.51 -0.36 1.01 0.06 -4.85 120.40 117.08 1ixy s VAL 233 Ca 0.70 1.78 -0.20 0.00 0.00 0.00 0.00 61.98 64.26 1ixy s VAL 233 Cb -0.09 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1ixy s VAL 233 CO 0.54 -0.08 0.69 -0.36 0.00 0.00 0.00 175.10 175.89 1ixy s PHE 234 N 2.73 2.99 0.32 5.22 0.40 -1.26 -0.49 117.98 127.88 1ixy s PHE 234 Ca 0.40 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1ixy s PHE 234 Cb -0.16 -3.65 0.06 0.00 0.51 0.00 0.00 43.02 39.78 1ixy s PHE 234 CO 0.09 -1.10 0.43 0.25 0.70 0.00 0.00 175.22 175.60 1ixy n THR 235 N 5.75 0.00 -1.87 0.64 -2.24 -1.17 -5.00 114.28 110.40 1ixy n THR 235 Ca -0.05 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1ixy n THR 235 Cb 0.46 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1ixy n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ixy n GLY 236 N 1.46 1.04 3.86 3.38 0.00 -1.26 -3.96 105.19 109.71 1ixy n GLY 236 Ca 0.08 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 1ixy n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ixy s LYS 237 N -0.08 3.86 0.06 1.61 -2.85 -1.16 -1.02 119.74 120.16 1ixy s LYS 237 Ca 0.00 0.61 0.02 0.00 -1.00 0.00 0.00 55.97 55.60 1ixy s LYS 237 Cb 0.00 -2.34 -0.03 0.00 -2.06 0.00 0.00 37.83 33.39 1ixy s LYS 237 CO 0.00 -0.05 -0.07 0.96 0.10 0.00 0.00 175.35 176.29 1ixy s ILE 238 N -2.35 0.60 0.27 3.79 -4.36 -1.26 -4.90 121.20 112.98 1ixy s ILE 238 Ca 0.53 -1.42 -0.29 0.00 -0.26 0.00 0.00 60.65 59.22 1ixy s ILE 238 Cb -0.10 -1.04 -0.14 0.00 1.25 0.00 0.00 42.46 42.43 1ixy s ILE 238 CO 0.29 -0.58 1.01 -2.65 0.24 0.00 0.00 174.94 173.24 1ixy n PRO 239 N 0.87 1.26 -0.25 0.37 -0.02 -1.26 -4.85 135.00 131.12 1ixy n PRO 239 Ca -0.19 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.78 1ixy n PRO 239 Cb 0.57 -1.81 0.29 0.00 -0.02 0.00 0.00 33.50 32.53 1ixy n PRO 239 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1ixy h MET 240 N 2.13 0.89 0.00 -0.52 4.05 -1.87 -1.68 114.93 117.93 1ixy h MET 240 Ca -0.39 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1ixy h MET 240 Cb 1.35 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1ixy h MET 240 CO 0.62 0.59 0.00 0.27 0.23 0.00 0.00 176.91 178.62 1ixy n ASN 241 N -4.48 0.00 -0.32 1.39 6.94 -1.26 -1.83 115.26 115.71 1ixy n ASN 241 Ca 0.12 0.02 0.03 0.00 -0.02 0.00 0.00 54.58 54.73 1ixy n ASN 241 Cb 0.20 -0.20 0.07 0.00 -2.36 0.00 0.00 39.78 37.49 1ixy n ASN 241 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1ixy n MET 242 N -1.20 2.59 0.10 -3.83 2.81 -0.63 -4.76 117.12 112.20 1ixy n MET 242 Ca 0.05 -1.68 -0.12 0.00 -1.81 0.00 0.00 57.70 54.14 1ixy n MET 242 Cb 0.06 -1.13 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1ixy n MET 242 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ixy h VAL 243 N 1.05 0.40 -0.41 2.03 2.07 -1.40 -0.91 116.25 119.07 1ixy h VAL 243 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1ixy h VAL 243 Cb 0.58 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1ixy h VAL 243 CO 0.00 0.00 0.27 0.28 0.02 0.00 0.00 177.57 178.14 1ixy h SER 244 N -0.47 0.35 -0.30 0.57 0.02 -1.82 -0.87 113.55 111.03 1ixy h SER 244 Ca 0.04 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1ixy h SER 244 Cb 0.51 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1ixy h SER 244 CO -0.18 0.24 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.18 1ixy h GLU 245 N 0.40 0.69 0.13 3.45 4.39 -1.74 -2.47 114.58 119.43 1ixy h GLU 245 Ca 0.17 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1ixy h GLU 245 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1ixy h GLU 245 CO -0.04 0.95 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.30 1ixy h LYS 246 N 0.44 -0.44 -0.98 2.33 1.63 -0.15 -1.41 116.57 117.98 1ixy h LYS 246 Ca 0.05 0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.05 1ixy h LYS 246 Cb 0.80 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.44 1ixy h LYS 246 CO 0.06 -0.29 0.61 -0.91 -3.45 0.00 0.00 179.45 175.47 1ixy h ASN 247 N -0.46 0.77 0.00 4.20 2.35 -1.19 -0.24 115.58 121.01 1ixy h ASN 247 Ca 0.03 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ixy h ASN 247 Cb 0.48 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1ixy h ASN 247 CO -0.13 0.33 0.16 -1.20 -1.65 0.00 0.00 177.43 174.93 1ixy n SER 248 N -4.67 0.40 0.00 5.81 7.64 -0.54 -0.93 113.62 121.33 1ixy n SER 248 Ca 0.21 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.84 1ixy n SER 248 Cb 0.52 -0.63 0.54 0.00 -1.01 0.00 0.00 64.21 63.63 1ixy n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixy n GLN 249 N -2.08 0.05 -4.26 1.43 6.02 -0.10 -4.61 117.38 113.83 1ixy n GLN 249 Ca -0.01 0.07 -0.23 0.00 -0.01 0.00 0.00 57.00 56.82 1ixy n GLN 249 Cb 0.18 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.87 1ixy n GLN 249 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ixy s ALA 250 N -2.93 3.23 0.05 -1.58 0.00 -0.11 -1.34 121.76 119.08 1ixy s ALA 250 Ca 0.14 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 1ixy s ALA 250 Cb 0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 23.12 22.44 1ixy s ALA 250 CO 0.44 0.19 1.35 0.82 0.00 0.00 0.00 175.76 178.56 1ixy h ILE 251 N 1.81 1.34 -3.48 0.00 1.08 -0.98 -3.38 117.51 113.90 1ixy h ILE 251 Ca -0.44 -1.34 -0.37 0.00 -0.39 0.00 0.00 64.86 62.32 1ixy h ILE 251 Cb 1.25 1.84 -0.17 0.00 -3.07 0.00 0.00 36.82 36.67 1ixy h ILE 251 CO 0.62 0.40 -0.74 0.00 -0.69 0.00 0.00 178.15 177.74 1ixy s ALA 252 N -4.29 1.45 -0.05 1.87 0.00 0.13 -0.28 121.76 120.60 1ixy s ALA 252 Ca -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1ixy s ALA 252 Cb 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1ixy s ALA 252 CO 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 175.76 176.52 1ixy s ALA 253 N -2.66 0.55 0.32 0.00 0.00 -0.80 -1.96 121.76 117.21 1ixy s ALA 253 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1ixy s ALA 253 Cb -0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1ixy s ALA 253 CO 0.02 -0.18 1.01 -1.17 0.00 0.00 0.00 175.76 175.43 1ixy s LEU 254 N 1.31 4.39 -0.21 0.00 2.96 -1.11 -1.60 118.68 124.42 1ixy s LEU 254 Ca -0.05 2.01 0.02 0.00 -0.22 0.00 0.00 54.13 55.89 1ixy s LEU 254 Cb -0.13 -3.90 0.04 0.00 0.50 0.00 0.00 46.19 42.70 1ixy s LEU 254 CO -0.02 -0.16 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.09 1ixy s ILE 255 N -1.44 1.92 0.14 6.68 -1.09 -0.24 -4.89 121.20 122.28 1ixy s ILE 255 Ca 0.49 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1ixy s ILE 255 Cb -0.24 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1ixy s ILE 255 CO 0.30 0.19 0.03 0.27 -1.23 0.00 0.00 174.94 174.51 1ixy s ILE 256 N 1.27 0.32 0.33 2.92 -4.36 -1.26 -1.68 121.20 118.73 1ixy s ILE 256 Ca -0.02 -1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 58.30 1ixy s ILE 256 Cb -0.17 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.51 1ixy s ILE 256 CO -0.08 -0.48 0.64 -0.83 0.24 0.00 0.00 174.94 174.43 1ixy s GLY 257 N -3.09 0.56 1.09 6.27 0.00 -1.26 -5.08 107.32 105.82 1ixy s GLY 257 Ca 0.24 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.97 1ixy s GLY 257 CO 0.02 -0.48 1.06 0.99 0.00 0.00 0.00 173.10 174.68 1ixy s ASP 258 N -3.07 1.67 0.10 1.64 1.11 -1.26 -4.87 116.67 111.99 1ixy s ASP 258 Ca 0.19 1.38 -0.35 0.00 0.18 0.00 0.00 52.55 53.95 1ixy s ASP 258 Cb -0.03 -2.11 -0.15 0.00 1.07 0.00 0.00 42.92 41.69 1ixy s ASP 258 CO 0.12 -3.75 1.56 0.50 1.18 0.00 0.00 175.17 174.78 1ixy h LYS 259 N -2.32 -0.81 -0.69 8.23 1.63 -2.00 -2.30 116.57 118.31 1ixy h LYS 259 Ca -0.58 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1ixy h LYS 259 Cb 1.33 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1ixy h LYS 259 CO 0.53 -0.54 0.00 0.09 -3.45 0.00 0.00 179.45 176.08 1ixy n ASN 260 N -5.52 0.69 -0.09 4.20 5.03 -1.26 -2.65 115.26 115.66 1ixy n ASN 260 Ca -0.10 -1.61 -0.15 0.00 0.87 0.00 0.00 54.58 53.59 1ixy n ASN 260 Cb 0.43 -0.34 -0.14 0.00 -1.02 0.00 0.00 39.78 38.71 1ixy n ASN 260 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1ixy n TYR 261 N 0.01 0.27 -1.68 3.10 4.02 -0.87 -4.68 117.16 117.34 1ixy n TYR 261 Ca 0.00 0.07 -0.57 0.00 -0.01 0.00 0.00 57.90 57.40 1ixy n TYR 261 Cb 0.17 -1.04 -0.07 0.00 -0.02 0.00 0.00 39.34 38.38 1ixy n TYR 261 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1ixy n ASN 262 N -3.11 2.18 -3.77 7.72 3.02 -1.09 -1.65 115.26 118.56 1ixy n ASN 262 Ca -0.37 1.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.96 1ixy n ASN 262 Cb 1.06 -1.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1ixy n ASN 262 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ixy n ASP 263 N 4.69 -5.10 0.00 6.41 8.00 0.45 -4.70 116.55 126.29 1ixy n ASP 263 Ca 0.25 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1ixy n ASP 263 Cb 0.14 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 1ixy n ASP 263 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ixy n ASN 264 N -2.42 0.00 -4.61 -2.24 5.15 -0.94 -5.01 115.26 105.20 1ixy n ASN 264 Ca -0.16 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.58 1ixy n ASN 264 Cb 0.60 0.06 -0.08 0.00 -0.53 0.00 0.00 39.78 39.83 1ixy n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1ixy s PHE 265 N -1.30 2.67 -0.28 1.20 0.40 -0.66 -2.71 117.98 117.31 1ixy s PHE 265 Ca 0.00 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1ixy s PHE 265 Cb 0.00 -1.23 0.09 0.00 0.51 0.00 0.00 43.02 42.39 1ixy s PHE 265 CO 0.00 0.58 0.09 0.42 0.70 0.00 0.00 175.22 177.01 1ixy s ILE 266 N -2.05 0.56 0.78 0.64 -1.09 -1.26 -4.87 121.20 113.91 1ixy s ILE 266 Ca 0.29 -1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 1ixy s ILE 266 Cb -0.07 -1.34 0.06 0.00 -1.58 0.00 0.00 42.46 39.52 1ixy s ILE 266 CO 0.18 -0.57 1.09 0.42 -1.23 0.00 0.00 174.94 174.83 1ixy s THR 267 N 1.79 3.28 0.37 2.92 -4.23 -1.26 -4.88 115.64 113.63 1ixy s THR 267 Ca 0.07 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 1ixy s THR 267 Cb -0.17 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.78 1ixy s THR 267 CO -0.24 -0.54 2.02 0.25 -0.54 0.00 0.00 174.62 175.58 1ixy h LEU 268 N -1.02 0.64 -1.63 4.79 6.46 -1.97 -0.71 115.31 121.86 1ixy h LEU 268 Ca -0.46 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.24 1ixy h LEU 268 Cb 1.25 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1ixy h LEU 268 CO 0.58 0.47 -0.20 0.08 -0.62 0.00 0.00 178.44 178.75 1ixy h ARG 269 N 0.75 0.00 -0.15 1.25 0.11 -1.93 -0.68 114.38 113.73 1ixy h ARG 269 Ca 0.20 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.32 1ixy h ARG 269 Cb -0.08 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 30.97 1ixy h ARG 269 CO -0.04 0.20 -0.08 0.28 0.10 0.00 0.00 179.97 180.43 1ixy h VAL 270 N 0.00 0.75 -0.12 0.08 2.07 -1.49 0.37 116.25 117.90 1ixy h VAL 270 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1ixy h VAL 270 Cb 0.38 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1ixy h VAL 270 CO 0.03 0.00 -0.61 -0.50 0.02 0.00 0.00 177.57 176.51 1ixy h TRP 271 N -0.07 0.55 0.00 1.57 4.06 -1.40 -1.38 115.95 119.27 1ixy h TRP 271 Ca 0.09 -0.21 -0.07 0.00 2.06 0.00 0.00 58.89 60.75 1ixy h TRP 271 Cb 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1ixy h TRP 271 CO -0.22 0.93 -0.36 0.93 -3.56 0.00 0.00 178.44 176.16 1ixy h GLU 272 N 0.32 0.00 0.02 0.49 5.08 -0.73 -1.24 114.58 118.52 1ixy h GLU 272 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1ixy h GLU 272 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ixy h GLU 272 CO 0.11 0.36 -0.35 1.15 -1.00 0.00 0.00 179.01 179.27 1ixy h THR 273 N 0.00 1.60 0.00 1.13 2.02 -0.16 -2.94 112.91 114.55 1ixy h THR 273 Ca -0.00 -2.35 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1ixy h THR 273 Cb 0.79 3.18 -0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1ixy h THR 273 CO 0.05 0.59 -0.03 -0.03 0.37 0.00 0.00 175.52 176.46 1ixy h MET 274 N -0.88 0.00 0.00 6.66 -1.53 -1.25 -1.35 114.93 116.58 1ixy h MET 274 Ca -0.08 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.04 1ixy h MET 274 Cb 1.16 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.19 1ixy h MET 274 CO -0.01 0.03 -0.81 0.00 0.14 0.00 0.00 176.91 176.27 1ixy h ALA 275 N 1.97 0.62 -2.32 0.39 0.00 -1.29 -3.38 119.26 115.25 1ixy h ALA 275 Ca -0.00 -0.63 -0.45 0.00 0.00 0.00 0.00 54.91 53.83 1ixy h ALA 275 Cb 0.10 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.04 1ixy h ALA 275 CO 0.00 0.80 0.29 -1.54 0.00 0.00 0.00 179.25 178.80 1ixy s SER 276 N -6.33 2.95 -0.02 0.00 1.04 -0.51 -1.51 113.70 109.33 1ixy s SER 276 Ca 0.02 0.78 0.09 0.00 0.48 0.00 0.00 55.95 57.32 1ixy s SER 276 Cb 0.08 -1.20 0.28 0.00 0.10 0.00 0.00 66.02 65.28 1ixy s SER 276 CO 0.77 -2.88 1.18 -0.67 0.98 0.00 0.00 173.24 172.63 1ixy n ASP 277 N -3.95 1.89 -4.71 7.02 2.03 -1.26 -4.74 116.55 112.82 1ixy n ASP 277 Ca 0.09 -2.07 -0.35 0.00 0.52 0.00 0.00 54.79 52.98 1ixy n ASP 277 Cb 0.59 -0.28 -0.08 0.00 -0.72 0.00 0.00 41.12 40.63 1ixy n ASP 277 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ixy s ALA 278 N -1.62 3.59 -0.25 -1.67 0.00 -1.26 -4.90 121.76 115.65 1ixy s ALA 278 Ca 0.21 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 1ixy s ALA 278 Cb 0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1ixy s ALA 278 CO 0.12 0.22 1.89 0.08 0.00 0.00 0.00 175.76 178.08 1ixy s VAL 279 N 0.19 3.36 0.03 0.00 1.01 0.61 -4.60 120.40 121.01 1ixy s VAL 279 Ca 0.07 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1ixy s VAL 279 Cb -0.12 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1ixy s VAL 279 CO -0.01 -0.25 1.90 -0.32 0.00 0.00 0.00 175.10 176.42 1ixy s MET 280 N 5.57 4.15 -0.22 2.72 0.00 -1.26 -1.90 119.30 128.36 1ixy s MET 280 Ca 0.84 2.55 0.01 0.00 0.00 0.00 0.00 55.69 59.09 1ixy s MET 280 Cb -0.27 -4.06 0.05 0.00 0.00 0.00 0.00 34.83 30.55 1ixy s MET 280 CO 0.34 -0.92 -0.11 -0.51 0.00 0.00 0.00 175.02 173.81 1ixy s LEU 281 N 4.16 2.62 -0.14 4.11 1.43 -0.63 -4.75 118.68 125.48 1ixy s LEU 281 Ca 0.85 -1.03 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1ixy s LEU 281 Cb -0.42 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1ixy s LEU 281 CO 0.39 -0.15 0.15 -0.63 0.23 0.00 0.00 176.35 176.34 1ixy s ILE 282 N 1.30 5.46 0.02 -0.59 1.01 0.99 -1.07 121.20 128.32 1ixy s ILE 282 Ca -0.03 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1ixy s ILE 282 Cb -0.17 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 1ixy s ILE 282 CO -0.08 0.56 1.52 -0.62 0.00 0.00 0.00 174.94 176.32 1ixy s ASP 283 N -0.56 6.74 0.43 3.58 2.15 -0.68 -1.03 116.67 127.31 1ixy s ASP 283 Ca 0.13 2.27 0.27 0.00 0.43 0.00 0.00 52.55 55.65 1ixy s ASP 283 Cb -0.12 -2.56 1.35 0.00 -0.30 0.00 0.00 42.92 41.29 1ixy s ASP 283 CO 0.02 -0.80 1.66 -0.08 -0.17 0.00 0.00 175.17 175.81 1ixy h GLU 284 N 8.13 0.15 0.00 4.34 4.57 -1.41 0.20 114.58 130.56 1ixy h GLU 284 Ca -0.40 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1ixy h GLU 284 Cb 1.19 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1ixy h GLU 284 CO 0.92 0.10 0.00 0.93 -1.18 0.00 0.00 179.01 179.78 1ixy h GLU 285 N 0.16 0.00 0.00 1.92 5.08 -1.90 -2.31 114.58 117.53 1ixy h GLU 285 Ca 0.76 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.98 1ixy h GLU 285 Cb 2.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.55 1ixy h GLU 285 CO -0.38 0.00 -0.65 0.35 -1.00 0.00 0.00 179.01 177.33 1ixy h PHE 286 N 0.00 0.00 -0.60 4.33 3.57 -0.96 -3.41 116.94 119.87 1ixy h PHE 286 Ca 0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 1ixy h PHE 286 Cb 0.68 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.23 1ixy h PHE 286 CO 0.00 0.65 -0.58 -3.47 -2.23 0.00 0.00 178.31 172.68 1ixy n ASP 287 N -3.38 -2.62 0.07 0.41 2.03 -1.20 -0.42 116.55 111.45 1ixy n ASP 287 Ca 0.01 -3.09 0.09 0.00 0.52 0.00 0.00 54.79 52.31 1ixy n ASP 287 Cb 0.75 1.44 0.54 0.00 -0.72 0.00 0.00 41.12 43.13 1ixy n ASP 287 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1ixy h THR 288 N 3.52 0.99 -0.05 5.18 1.35 -1.63 -1.02 112.91 121.25 1ixy h THR 288 Ca -0.05 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1ixy h THR 288 Cb 1.03 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1ixy h THR 288 CO 0.26 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 175.87 1ixy n LYS 289 N -4.49 1.62 -3.73 4.72 4.76 -1.26 -4.96 118.16 114.83 1ixy n LYS 289 Ca 0.03 -0.92 -0.23 0.00 -2.87 0.00 0.00 58.31 54.32 1ixy n LYS 289 Cb 0.19 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1ixy n LYS 289 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ixy n HIS 290 N 0.12 -2.05 0.47 2.13 8.25 -0.39 -4.89 115.22 118.87 1ixy n HIS 290 Ca 0.19 0.87 0.12 0.00 -0.26 0.00 0.00 57.72 58.63 1ixy n HIS 290 Cb 0.33 -4.37 0.46 0.00 1.12 0.00 0.00 29.99 27.53 1ixy n HIS 290 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ixy n ARG 291 N -4.38 0.18 0.02 -0.41 5.12 -1.26 -3.47 116.66 112.45 1ixy n ARG 291 Ca -0.22 0.35 -0.11 0.00 -1.93 0.00 0.00 57.85 55.94 1ixy n ARG 291 Cb 0.64 -1.80 -0.08 0.00 -1.16 0.00 0.00 32.46 30.05 1ixy n ARG 291 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1ixy h ILE 292 N 0.00 1.02 -3.55 0.55 2.04 -1.92 -3.46 117.51 112.19 1ixy h ILE 292 Ca 0.00 -1.35 -0.27 0.00 1.00 0.00 0.00 64.86 64.24 1ixy h ILE 292 Cb 0.43 1.76 -0.32 0.00 -0.74 0.00 0.00 36.82 37.95 1ixy h ILE 292 CO 0.00 0.28 -0.70 -0.63 0.00 0.00 0.00 178.15 177.10 1ixy s ILE 293 N -3.13 -0.04 -0.64 -0.67 1.01 -1.23 -5.02 121.20 111.48 1ixy s ILE 293 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1ixy s ILE 293 Cb -0.00 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.39 1ixy s ILE 293 CO 0.50 0.06 0.63 0.59 0.00 0.00 0.00 174.94 176.71 1ixy n ASN 294 N 3.79 1.59 -4.26 3.58 3.02 -1.26 -4.70 115.26 117.02 1ixy n ASN 294 Ca -0.22 -1.85 -0.35 0.00 -0.03 0.00 0.00 54.58 52.13 1ixy n ASN 294 Cb 0.54 -0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 39.10 1ixy n ASN 294 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ixy s ASP 295 N 0.31 4.04 0.43 6.41 -1.08 -1.26 -5.01 116.67 120.52 1ixy s ASP 295 Ca 0.00 -0.47 0.21 0.00 -0.52 0.00 0.00 52.55 51.77 1ixy s ASP 295 Cb 0.00 -1.68 0.98 0.00 -1.46 0.00 0.00 42.92 40.76 1ixy s ASP 295 CO 0.00 -0.02 1.88 0.00 0.52 0.00 0.00 175.17 177.54 1ixy h ALA 296 N 8.07 1.16 0.00 3.66 0.00 -1.96 -3.02 119.26 127.17 1ixy h ALA 296 Ca -0.42 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ixy h ALA 296 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ixy h ALA 296 CO 0.61 0.33 0.08 0.00 0.00 0.00 0.00 179.25 180.27 1ixy h ARG 297 N 0.00 0.00 -0.01 0.00 3.08 -1.97 0.12 114.38 115.60 1ixy h ARG 297 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ixy h ARG 297 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ixy h ARG 297 CO 0.03 0.00 -0.12 1.19 -1.07 0.00 0.00 179.97 180.01 1ixy n PHE 298 N -2.62 0.00 -4.57 3.04 3.01 -1.14 -4.88 117.46 110.30 1ixy n PHE 298 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 1ixy n PHE 298 Cb 0.12 -0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 39.40 1ixy n PHE 298 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1ixy s TYR 299 N -2.29 2.97 -0.06 1.38 1.51 0.42 -0.01 117.35 121.28 1ixy s TYR 299 Ca 0.32 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 1ixy s TYR 299 Cb 0.20 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1ixy s TYR 299 CO 0.44 0.26 -0.18 0.14 -1.11 0.00 0.00 175.55 175.09 1ixy s VAL 300 N -0.56 1.52 -0.02 0.71 -7.23 -0.19 -4.92 120.40 109.71 1ixy s VAL 300 Ca 0.08 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.56 1ixy s VAL 300 Cb -0.12 -1.32 -0.24 0.00 0.56 0.00 0.00 36.38 35.26 1ixy s VAL 300 CO 0.02 0.44 0.76 0.78 -0.31 0.00 0.00 175.10 176.79 1ixy h ASN 301 N 6.46 0.16 -5.21 4.85 2.35 -1.95 -0.53 115.58 121.72 1ixy h ASN 301 Ca -0.30 -0.27 0.10 0.00 -0.55 0.00 0.00 56.30 55.28 1ixy h ASN 301 Cb 1.19 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 1ixy h ASN 301 CO 0.48 1.24 0.41 0.54 -1.65 0.00 0.00 177.43 178.44 1ixy s ASN 302 N -6.54 -0.10 0.27 5.81 2.20 -1.26 -4.83 114.94 110.49 1ixy s ASN 302 Ca -0.07 -0.70 -0.08 0.00 -0.94 0.00 0.00 52.86 51.06 1ixy s ASN 302 Cb 0.08 0.63 0.44 0.00 -2.00 0.00 0.00 41.25 40.40 1ixy s ASN 302 CO 0.82 -1.21 1.57 -0.09 -2.94 0.00 0.00 177.10 175.25 1ixy h ARG 303 N 2.00 0.00 -0.59 3.55 2.43 -1.97 0.12 114.38 119.93 1ixy h ARG 303 Ca -0.26 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 1ixy h ARG 303 Cb 1.24 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1ixy h ARG 303 CO 0.32 0.00 0.33 0.00 -1.51 0.00 0.00 179.97 179.11 1ixy h ALA 304 N 1.95 0.76 -0.13 2.80 0.00 -1.97 0.49 119.26 123.17 1ixy h ALA 304 Ca 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1ixy h ALA 304 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ixy h ALA 304 CO -0.98 0.03 -0.10 1.49 0.00 0.00 0.00 179.25 179.69 1ixy h GLU 305 N 0.64 0.30 -0.92 0.00 4.81 -1.25 -1.44 114.58 116.72 1ixy h GLU 305 Ca 0.25 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1ixy h GLU 305 Cb 0.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1ixy h GLU 305 CO -0.14 0.68 0.60 1.25 -0.73 0.00 0.00 179.01 180.67 1ixy h LEU 306 N -0.07 0.90 -0.43 1.64 7.12 -0.82 0.62 115.31 124.27 1ixy h LEU 306 Ca 0.02 0.01 -0.13 0.00 0.13 0.00 0.00 57.88 57.92 1ixy h LEU 306 Cb 0.61 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1ixy h LEU 306 CO 0.03 0.56 -0.23 0.40 -0.13 0.00 0.00 178.44 179.07 1ixy h ILE 307 N 1.01 1.28 -0.42 4.05 2.04 -0.85 -1.15 117.51 123.46 1ixy h ILE 307 Ca 0.41 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1ixy h ILE 307 Cb 0.26 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1ixy h ILE 307 CO -0.16 0.47 0.18 -0.78 0.00 0.00 0.00 178.15 177.85 1ixy h ASP 308 N 0.73 0.58 0.27 1.72 3.58 0.16 -1.94 116.42 121.53 1ixy h ASP 308 Ca 0.09 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.26 1ixy h ASP 308 Cb 0.80 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1ixy h ASP 308 CO 0.07 0.58 -0.47 -0.09 -2.88 0.00 0.00 179.24 176.45 1ixy h ARG 309 N 0.54 0.25 -0.29 0.28 9.65 0.23 -0.45 114.38 124.59 1ixy h ARG 309 Ca 0.14 -0.13 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 1ixy h ARG 309 Cb 0.18 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1ixy h ARG 309 CO -0.01 0.67 -0.29 0.28 2.80 0.00 0.00 179.97 183.42 1ixy h VAL 310 N 0.20 1.30 -0.60 0.20 2.07 -1.07 -2.03 116.25 116.32 1ixy h VAL 310 Ca 0.01 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1ixy h VAL 310 Cb 0.91 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1ixy h VAL 310 CO 0.07 0.47 0.06 0.78 0.02 0.00 0.00 177.57 178.97 1ixy h ASN 311 N 0.46 0.99 -0.83 0.57 2.35 -1.22 -0.75 115.58 117.14 1ixy h ASN 311 Ca 0.05 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1ixy h ASN 311 Cb 0.86 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 1ixy h ASN 311 CO 0.07 1.02 0.54 -0.33 -1.65 0.00 0.00 177.43 177.08 1ixy h GLU 312 N 0.92 1.04 -0.34 0.81 5.08 -1.04 0.15 114.58 121.21 1ixy h GLU 312 Ca 0.18 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1ixy h GLU 312 Cb 0.48 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1ixy h GLU 312 CO 0.02 0.69 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.56 1ixy h LEU 313 N 1.07 0.55 -0.47 1.33 3.38 -0.93 -0.97 115.31 119.27 1ixy h LEU 313 Ca 0.32 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1ixy h LEU 313 Cb -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ixy h LEU 313 CO -0.10 0.68 -0.70 0.11 0.09 0.00 0.00 178.44 178.52 1ixy h LYS 314 N 0.53 0.33 0.70 1.13 1.57 -0.18 -3.30 116.57 117.35 1ixy h LYS 314 Ca 0.10 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1ixy h LYS 314 Cb 0.48 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1ixy h LYS 314 CO 0.03 0.91 -0.34 1.25 -0.57 0.00 0.00 179.45 180.73 1ixy h HIS 315 N 0.23 -0.87 -3.69 -1.35 2.76 -0.26 -3.42 115.15 108.54 1ixy h HIS 315 Ca -0.02 -0.02 -0.63 0.00 -2.20 0.00 0.00 60.37 57.50 1ixy h HIS 315 Cb 1.26 0.29 -0.14 0.00 1.55 0.00 0.00 27.41 30.36 1ixy h HIS 315 CO 0.04 -0.54 -0.19 0.45 -1.30 0.00 0.00 177.93 176.38 1ixy s SER 316 N -4.10 6.28 0.28 3.26 0.15 -0.41 -4.94 113.70 114.22 1ixy s SER 316 Ca -0.14 0.28 0.18 0.00 0.70 0.00 0.00 55.95 56.98 1ixy s SER 316 Cb 0.01 -2.22 0.10 0.00 -1.71 0.00 0.00 66.02 62.20 1ixy s SER 316 CO 0.41 -0.22 1.34 -0.78 1.20 0.00 0.00 173.24 175.19 1ixy h ASP 317 N 8.18 0.00 0.70 5.45 3.58 -1.83 -2.89 116.42 129.61 1ixy h ASP 317 Ca -0.31 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.04 1ixy h ASP 317 Cb 1.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1ixy h ASP 317 CO 0.66 0.31 -0.50 0.58 -2.88 0.00 0.00 179.24 177.42 1ixy h VAL 318 N 0.00 1.19 0.19 2.25 2.07 -1.93 -2.73 116.25 117.29 1ixy h VAL 318 Ca -0.03 -1.81 -0.29 0.00 0.82 0.00 0.00 66.70 65.39 1ixy h VAL 318 Cb 1.26 2.02 0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1ixy h VAL 318 CO 0.04 0.49 -1.27 0.25 0.02 0.00 0.00 177.57 177.10 1ixy h LEU 319 N 0.00 0.79 -0.08 2.57 5.85 -1.91 -2.83 115.31 119.70 1ixy h LEU 319 Ca -0.00 -0.89 -0.01 0.00 0.84 0.00 0.00 57.88 57.82 1ixy h LEU 319 Cb 0.98 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1ixy h LEU 319 CO 0.06 1.61 0.02 -0.09 -0.34 0.00 0.00 178.44 179.71 1ixy h ARG 320 N 0.09 0.13 -0.29 1.25 2.43 -1.46 -1.55 114.38 114.98 1ixy h ARG 320 Ca -0.21 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.81 1ixy h ARG 320 Cb 1.98 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 1ixy h ARG 320 CO 0.24 0.31 -0.31 0.87 -1.51 0.00 0.00 179.97 179.57 1ixy h LYS 321 N -0.08 0.60 0.51 0.20 1.57 -1.63 -1.43 116.57 116.31 1ixy h LYS 321 Ca 0.03 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1ixy h LYS 321 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1ixy h LYS 321 CO 0.00 0.84 -0.36 1.49 -0.57 0.00 0.00 179.45 180.85 1ixy h GLU 322 N 0.52 -0.81 -0.66 3.15 4.81 -1.39 0.39 114.58 120.58 1ixy h GLU 322 Ca 0.06 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1ixy h GLU 322 Cb 0.79 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1ixy h GLU 322 CO 0.07 -0.54 0.44 0.52 -0.73 0.00 0.00 179.01 178.76 1ixy h MET 323 N -0.84 0.79 -0.27 1.92 2.86 -1.24 0.78 114.93 118.92 1ixy h MET 323 Ca -0.06 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1ixy h MET 323 Cb 0.71 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1ixy h MET 323 CO 0.03 0.52 -0.30 -0.07 1.06 0.00 0.00 176.91 178.15 1ixy h LEU 324 N 0.81 0.57 -0.65 1.22 3.38 -0.85 -1.87 115.31 117.93 1ixy h LEU 324 Ca 0.26 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ixy h LEU 324 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ixy h LEU 324 CO -0.07 0.84 0.06 -1.28 0.09 0.00 0.00 178.44 178.08 1ixy h SER 325 N 0.48 1.07 -0.25 -0.43 0.87 0.19 -1.54 113.55 113.95 1ixy h SER 325 Ca 0.06 -0.28 -0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1ixy h SER 325 Cb 0.76 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1ixy h SER 325 CO 0.06 1.09 -0.21 0.40 -0.53 0.00 0.00 176.83 177.64 1ixy h ILE 326 N 1.02 1.31 -0.27 2.23 2.04 -0.72 -1.95 117.51 121.18 1ixy h ILE 326 Ca 0.19 -1.36 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 1ixy h ILE 326 Cb 0.51 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1ixy h ILE 326 CO 0.02 0.43 -0.32 0.06 0.00 0.00 0.00 178.15 178.34 1ixy h GLN 327 N 0.29 0.56 -0.17 2.37 3.07 -1.29 -0.36 115.11 119.59 1ixy h GLN 327 Ca 0.04 -0.25 -0.07 0.00 0.09 0.00 0.00 58.65 58.46 1ixy h GLN 327 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.29 1ixy h GLN 327 CO 0.05 0.82 -0.23 0.45 0.09 0.00 0.00 178.83 180.01 1ixy h HIS 328 N 0.48 0.32 0.37 0.06 3.86 -1.26 -0.88 115.15 118.11 1ixy h HIS 328 Ca 0.06 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1ixy h HIS 328 Cb 0.79 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1ixy h HIS 328 CO 0.03 0.51 -0.18 0.22 0.86 0.00 0.00 177.93 179.37 1ixy h ASP 329 N 0.27 -0.42 -0.91 2.45 3.58 -0.53 -0.77 116.42 120.09 1ixy h ASP 329 Ca 0.05 -0.14 0.18 0.00 0.42 0.00 0.00 57.03 57.53 1ixy h ASP 329 Cb 0.55 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.64 1ixy h ASP 329 CO 0.04 -0.03 0.59 0.40 -2.88 0.00 0.00 179.24 177.36 1ixy h ILE 330 N -0.89 0.74 -0.12 2.25 1.08 -0.97 0.61 117.51 120.21 1ixy h ILE 330 Ca -0.05 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1ixy h ILE 330 Cb 0.54 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1ixy h ILE 330 CO 0.08 0.10 -0.01 0.25 -0.69 0.00 0.00 178.15 177.88 1ixy h LEU 331 N 0.56 0.22 -1.53 1.44 6.46 -1.03 -2.63 115.31 118.79 1ixy h LEU 331 Ca 0.47 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ixy h LEU 331 Cb 0.97 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1ixy h LEU 331 CO -0.21 0.51 0.00 0.78 -0.62 0.00 0.00 178.44 178.89 1ixy h ASN 332 N -0.07 0.00 -0.04 1.25 -0.26 0.58 0.26 115.58 117.29 1ixy h ASN 332 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1ixy h ASN 332 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1ixy h ASN 332 CO 0.01 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.67 1ixy n LYS 333 N -2.47 1.34 -0.02 0.81 5.02 -0.19 -2.59 118.16 120.06 1ixy n LYS 333 Ca -0.01 -0.50 0.01 0.00 -2.02 0.00 0.00 58.31 55.79 1ixy n LYS 333 Cb 0.11 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 1ixy n LYS 333 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ixy n THR 334 N -0.34 0.27 0.13 -0.18 -1.04 0.06 -4.39 114.28 108.79 1ixy n THR 334 Ca 0.18 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1ixy n THR 334 Cb 0.21 -0.16 0.08 0.00 -1.82 0.00 0.00 70.33 68.64 1ixy n THR 334 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1ixy h ARG 335 N 0.00 0.00 -0.30 -2.82 3.08 -1.42 -3.06 114.38 109.87 1ixy h ARG 335 Ca -0.11 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.98 1ixy h ARG 335 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1ixy h ARG 335 CO 0.01 0.61 0.20 0.00 -1.07 0.00 0.00 179.97 179.72 1ixy h ALA 336 N 1.39 1.96 -0.43 0.04 0.00 -1.70 -1.18 119.26 119.33 1ixy h ALA 336 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1ixy h ALA 336 Cb 1.33 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1ixy h ALA 336 CO 0.08 -0.01 0.15 1.63 0.00 0.00 0.00 179.25 181.10 1ixy n LYS 337 N -4.49 2.73 -0.20 0.00 5.02 -1.16 -4.59 118.16 115.48 1ixy n LYS 337 Ca 0.03 -1.83 -0.07 0.00 -2.02 0.00 0.00 58.31 54.41 1ixy n LYS 337 Cb 0.18 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.32 1ixy n LYS 337 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ixy h LYS 338 N 1.70 -0.20 -0.74 1.97 3.64 -1.36 0.19 116.57 121.78 1ixy h LYS 338 Ca 0.14 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1ixy h LYS 338 Cb 1.65 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.44 1ixy h LYS 338 CO 0.43 -0.13 0.35 0.00 -2.27 0.00 0.00 179.45 177.83 1ixy h ALA 339 N 0.77 1.05 -0.73 5.00 0.00 -1.86 -0.33 119.26 123.16 1ixy h ALA 339 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ixy h ALA 339 Cb 0.56 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ixy h ALA 339 CO -0.68 -0.10 0.47 1.49 0.00 0.00 0.00 179.25 180.44 1ixy h GLU 340 N 0.56 0.97 -0.50 0.00 4.81 -1.37 -2.39 114.58 116.65 1ixy h GLU 340 Ca 0.39 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1ixy h GLU 340 Cb 0.49 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1ixy h GLU 340 CO -0.32 0.65 0.18 2.35 -0.73 0.00 0.00 179.01 181.14 1ixy h TRP 341 N 0.99 0.79 -0.69 0.92 7.01 0.25 -2.62 115.95 122.61 1ixy h TRP 341 Ca 0.27 -0.07 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 1ixy h TRP 341 Cb -0.10 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.70 1ixy h TRP 341 CO -0.02 0.67 0.21 1.96 -2.79 0.00 0.00 178.44 178.47 1ixy h GLN 342 N 0.68 1.06 -0.25 2.65 4.20 -0.84 -1.78 115.11 120.84 1ixy h GLN 342 Ca 0.17 -0.22 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 1ixy h GLN 342 Cb 0.23 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ixy h GLN 342 CO -0.01 0.91 -0.56 -0.44 -0.67 0.00 0.00 178.83 178.06 1ixy h ASP 343 N 1.02 0.92 -0.90 1.46 3.32 -1.41 -2.37 116.42 118.46 1ixy h ASP 343 Ca 0.22 -0.56 0.04 0.00 0.02 0.00 0.00 57.03 56.76 1ixy h ASP 343 Cb 0.30 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1ixy h ASP 343 CO -0.01 1.31 0.58 0.00 -1.72 0.00 0.00 179.24 179.40 1ixy h ALA 344 N 0.64 1.20 -0.22 3.45 0.00 -1.32 0.36 119.26 123.38 1ixy h ALA 344 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ixy h ALA 344 Cb 1.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ixy h ALA 344 CO 0.12 0.40 -0.02 0.35 0.00 0.00 0.00 179.25 180.11 1ixy h PHE 345 N 1.10 0.43 -0.86 0.00 3.57 -1.27 -0.71 116.94 119.21 1ixy h PHE 345 Ca 0.37 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1ixy h PHE 345 Cb 0.06 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1ixy h PHE 345 CO -0.02 0.60 0.56 0.87 -2.23 0.00 0.00 178.31 178.09 1ixy h LYS 346 N 0.15 1.07 -0.51 1.11 1.57 -0.85 0.73 116.57 119.84 1ixy h LYS 346 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ixy h LYS 346 Cb 0.44 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ixy h LYS 346 CO 0.01 0.71 0.13 -0.22 -0.57 0.00 0.00 179.45 179.51 1ixy h LYS 347 N 1.10 0.78 -0.02 3.15 3.64 -0.15 0.57 116.57 125.64 1ixy h LYS 347 Ca 0.34 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1ixy h LYS 347 Cb -0.03 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1ixy h LYS 347 CO -0.10 0.70 -0.10 0.00 -2.27 0.00 0.00 179.45 177.68 1ixy h ALA 348 N 1.39 1.80 -0.50 5.00 0.00 0.66 -1.88 119.26 125.72 1ixy h ALA 348 Ca 0.17 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1ixy h ALA 348 Cb 0.27 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.91 1ixy h ALA 348 CO -0.00 0.15 0.11 0.44 0.00 0.00 0.00 179.25 179.95 1ixy n ILE 349 N -4.40 2.67 -3.60 0.00 -5.35 -0.45 -4.96 119.36 103.27 1ixy n ILE 349 Ca -0.02 -2.30 -0.22 0.00 -0.27 0.00 0.00 62.75 59.94 1ixy n ILE 349 Cb 0.18 -0.34 0.05 0.00 -1.74 0.00 0.00 39.64 37.79 1ixy n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ixy n ASP 350 N -0.90 -3.03 0.00 7.28 8.00 -0.71 -5.03 116.55 122.16 1ixy n ASP 350 Ca 0.37 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1ixy n ASP 350 Cb 1.17 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1ixy n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99