#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 2.63 -0.12 2.12 2.47 -1.26 -4.38 119.74 121.20 1ixy s LYS 2 Ca 0.00 -0.83 -0.01 0.00 -1.56 0.00 0.00 55.97 53.57 1ixy s LYS 2 Cb 0.00 -2.48 -0.02 0.00 -1.46 0.00 0.00 37.83 33.87 1ixy s LYS 2 CO 0.00 -0.28 -0.08 0.42 0.16 0.00 0.00 175.35 175.57 1ixy s ILE 3 N 1.33 3.55 -0.09 5.43 1.01 -0.36 -0.42 121.20 131.65 1ixy s ILE 3 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1ixy s ILE 3 Cb -0.14 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1ixy s ILE 3 CO -0.11 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.14 1ixy s ALA 4 N 0.06 2.28 -0.03 9.38 0.00 -0.48 -0.44 121.76 132.52 1ixy s ALA 4 Ca -0.02 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1ixy s ALA 4 Cb -0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1ixy s ALA 4 CO 0.03 0.35 -0.22 -1.50 0.00 0.00 0.00 175.76 174.42 1ixy s ILE 5 N 0.09 1.78 0.05 0.00 2.07 0.76 -0.22 121.20 125.73 1ixy s ILE 5 Ca -0.10 -0.94 -0.08 0.00 -1.41 0.00 0.00 60.65 58.12 1ixy s ILE 5 Cb -0.16 -1.49 -0.00 0.00 0.13 0.00 0.00 42.46 40.94 1ixy s ILE 5 CO 0.06 0.50 0.15 0.27 -1.91 0.00 0.00 174.94 174.01 1ixy s ILE 6 N -0.38 0.13 -0.23 2.00 -4.36 -0.62 -1.34 121.20 116.41 1ixy s ILE 6 Ca 0.04 -1.05 -0.09 0.00 -0.26 0.00 0.00 60.65 59.29 1ixy s ILE 6 Cb -0.10 -1.01 -0.05 0.00 1.25 0.00 0.00 42.46 42.55 1ixy s ILE 6 CO 0.00 -0.58 0.13 0.21 0.24 0.00 0.00 174.94 174.94 1ixy s ASN 7 N -2.28 5.89 0.35 4.36 3.84 -1.26 -0.13 114.94 125.70 1ixy s ASN 7 Ca -0.03 0.07 0.05 0.00 0.21 0.00 0.00 52.86 53.16 1ixy s ASN 7 Cb 0.00 -2.05 0.63 0.00 -0.55 0.00 0.00 41.25 39.29 1ixy s ASN 7 CO -0.06 0.08 1.90 -0.03 -2.79 0.00 0.00 177.10 176.20 1ixy h MET 8 N 7.41 0.54 0.00 0.43 1.85 -1.73 -3.34 114.93 120.09 1ixy h MET 8 Ca -0.38 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 1ixy h MET 8 Cb 1.17 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.11 1ixy h MET 8 CO 0.66 0.53 -0.21 0.41 -0.40 0.00 0.00 176.91 177.90 1ixy n GLY 9 N -0.97 1.46 2.91 1.39 0.00 -1.26 -3.49 105.19 105.24 1ixy n GLY 9 Ca 0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.37 0.32 0.62 1.61 -0.87 -1.25 -4.52 114.94 109.48 1ixy s ASN 10 Ca 0.09 -0.05 -0.17 0.00 -1.57 0.00 0.00 52.86 51.17 1ixy s ASN 10 Cb 0.08 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.25 41.24 1ixy s ASN 10 CO 0.01 0.02 1.13 0.21 -2.57 0.00 0.00 177.10 175.90 1ixy s ASN 11 N 0.02 5.25 -0.18 -1.22 2.47 -1.26 -4.59 114.94 115.42 1ixy s ASN 11 Ca 0.00 2.12 0.01 0.00 0.42 0.00 0.00 52.86 55.41 1ixy s ASN 11 Cb -0.02 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1ixy s ASN 11 CO -0.00 -1.54 -0.14 -0.69 -3.72 0.00 0.00 177.10 171.00 1ixy s VAL 12 N -2.07 1.79 0.18 -5.21 1.01 -1.26 -4.36 120.40 110.48 1ixy s VAL 12 Ca 0.70 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1ixy s VAL 12 Cb -0.23 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1ixy s VAL 12 CO 0.36 0.36 0.00 -0.38 0.00 0.00 0.00 175.10 175.44 1ixy n ILE 13 N 4.67 0.38 -0.55 2.22 5.41 -1.26 -4.83 119.36 125.40 1ixy n ILE 13 Ca -0.17 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1ixy n ILE 13 Cb 0.48 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 -3.35 2.05 -1.28 4.38 0.23 -1.26 -4.68 115.26 111.34 1ixy n ASN 14 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1ixy n ASN 14 Cb 0.03 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.83 0.28 -2.53 3.01 -1.26 -3.71 117.46 114.08 1ixy n PHE 15 Ca 0.00 -0.43 -0.17 0.00 1.01 0.00 0.00 57.45 57.86 1ixy n PHE 15 Cb 0.00 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 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 4.29 -0.82 -6.48 -1.08 6.56 -1.96 -3.33 116.57 113.75 1ixy h LYS 16 Ca 0.00 0.06 -0.46 0.00 -1.06 0.00 0.00 60.65 59.18 1ixy h LYS 16 Cb 0.98 0.19 0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1ixy h LYS 16 CO 0.00 -0.55 -0.23 0.95 -2.06 0.00 0.00 179.45 177.57 1ixy s THR 17 N -5.99 4.74 -0.06 -0.16 -4.23 -1.26 -4.73 115.64 103.95 1ixy s THR 17 Ca -0.17 -0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1ixy s THR 17 Cb 0.05 -3.71 -0.16 0.00 1.34 0.00 0.00 72.50 70.01 1ixy s THR 17 CO 0.62 -0.42 0.86 0.58 -0.54 0.00 0.00 174.62 175.73 1ixy h VAL 18 N 0.75 0.92 -0.99 2.29 2.07 -1.93 -2.66 116.25 116.71 1ixy h VAL 18 Ca -0.49 -1.21 0.22 0.00 0.82 0.00 0.00 66.70 66.04 1ixy h VAL 18 Cb 1.23 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 1ixy h VAL 18 CO 0.59 0.25 0.63 -0.65 0.02 0.00 0.00 177.57 178.40 1ixy h PRO 19 N -0.85 0.52 -0.20 1.57 0.11 -1.96 0.85 132.00 132.03 1ixy h PRO 19 Ca -0.02 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 1ixy h PRO 19 Cb 0.54 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1ixy h PRO 19 CO 0.03 0.35 -0.39 1.03 -0.21 0.00 0.00 178.00 178.80 1ixy h SER 20 N 0.54 0.49 -0.16 -2.05 0.87 -1.76 -2.77 113.55 108.71 1ixy h SER 20 Ca 0.56 -0.21 -0.22 0.00 -1.23 0.00 0.00 61.79 60.69 1ixy h SER 20 Cb 1.18 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1ixy h SER 20 CO -0.30 0.84 -0.74 0.28 -0.53 0.00 0.00 176.83 176.37 1ixy h SER 21 N 0.39 0.95 -0.65 6.23 0.02 0.93 -2.87 113.55 118.54 1ixy h SER 21 Ca 0.04 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1ixy h SER 21 Cb 0.86 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1ixy h SER 21 CO 0.07 1.40 0.38 -0.33 -1.14 0.00 0.00 176.83 177.22 1ixy h GLU 22 N 0.56 0.90 -0.57 3.45 5.08 -0.58 -1.69 114.58 121.73 1ixy h GLU 22 Ca -0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1ixy h GLU 22 Cb 1.37 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1ixy h GLU 22 CO 0.15 0.65 0.27 1.15 -1.00 0.00 0.00 179.01 180.23 1ixy h THR 23 N 0.89 1.21 -0.50 1.13 2.02 -1.48 0.53 112.91 116.71 1ixy h THR 23 Ca 0.23 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1ixy h THR 23 Cb -0.00 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1ixy h THR 23 CO -0.04 0.24 -0.18 0.40 0.37 0.00 0.00 175.52 176.31 1ixy h ILE 24 N 0.77 1.27 -0.17 3.11 2.04 -1.34 0.08 117.51 123.27 1ixy h ILE 24 Ca 0.19 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1ixy h ILE 24 Cb 0.13 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ixy h ILE 24 CO -0.02 0.46 0.04 1.88 0.00 0.00 0.00 178.15 180.52 1ixy h TYR 25 N 0.86 0.29 -0.30 1.37 0.05 -1.11 0.15 116.97 118.28 1ixy h TYR 25 Ca 0.12 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1ixy h TYR 25 Cb 0.75 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 1ixy h TYR 25 CO 0.05 0.40 0.10 -0.07 -1.05 0.00 0.00 178.16 177.59 1ixy h LEU 26 N 0.09 0.38 -0.05 3.88 3.38 -0.79 -0.37 115.31 121.82 1ixy h LEU 26 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ixy h LEU 26 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ixy h LEU 26 CO 0.00 0.37 0.00 0.15 0.09 0.00 0.00 178.44 179.05 1ixy h PHE 27 N 0.42 0.10 0.65 1.13 3.57 -0.43 -3.00 116.94 119.38 1ixy h PHE 27 Ca 0.10 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1ixy h PHE 27 Cb 0.12 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.84 1ixy h PHE 27 CO 0.00 0.35 -0.31 0.87 -2.23 0.00 0.00 178.31 176.99 1ixy h LYS 28 N -0.19 -0.85 -0.00 1.11 1.79 0.12 -1.53 116.57 117.02 1ixy h LYS 28 Ca 0.02 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1ixy h LYS 28 Cb 0.31 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1ixy h LYS 28 CO 0.00 -0.56 0.00 -0.24 -1.08 0.00 0.00 179.45 177.58 1ixy h VAL 29 N -0.90 0.47 0.15 0.50 3.04 -1.20 0.18 116.25 118.49 1ixy h VAL 29 Ca -0.09 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.30 1ixy h VAL 29 Cb 0.68 1.00 0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1ixy h VAL 29 CO 0.15 0.00 -1.41 0.40 -1.01 0.00 0.00 177.57 175.70 1ixy h ILE 30 N 0.00 1.31 -0.20 3.17 2.04 -1.39 -3.13 117.51 119.32 1ixy h ILE 30 Ca 0.00 -2.88 -0.07 0.00 1.00 0.00 0.00 64.86 62.91 1ixy h ILE 30 Cb 0.01 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1ixy h ILE 30 CO -0.00 0.85 -0.18 0.28 0.00 0.00 0.00 178.15 179.11 1ixy h SER 31 N 0.09 0.32 0.36 1.72 0.02 -0.05 -2.10 113.55 113.91 1ixy h SER 31 Ca -0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1ixy h SER 31 Cb 2.03 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1ixy h SER 31 CO 0.20 0.52 0.00 -0.62 -1.14 0.00 0.00 176.83 175.79 1ixy n GLU 32 N -4.20 0.15 -0.03 3.45 1.02 0.48 -0.77 120.64 120.74 1ixy n GLU 32 Ca -0.00 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1ixy n GLU 32 Cb 0.32 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.35 1.89 -1.70 3.49 2.81 -0.79 -4.92 117.12 116.54 1ixy n MET 33 Ca 0.06 -1.30 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 1ixy n MET 33 Cb 0.14 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.23 0.60 3.25 3.03 0.00 0.05 -5.09 105.19 108.26 1ixy n GLY 34 Ca 0.17 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.36 2.30 -0.45 0.99 1.43 -1.18 -5.07 118.68 115.34 1ixy s LEU 35 Ca 0.00 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 1ixy s LEU 35 Cb 0.00 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.49 1ixy s LEU 35 CO 0.00 0.01 0.64 0.21 0.23 0.00 0.00 176.35 177.43 1ixy s ASN 36 N -1.92 6.30 0.06 2.29 3.04 -1.26 -4.39 114.94 119.06 1ixy s ASN 36 Ca 0.04 -0.46 0.06 0.00 0.04 0.00 0.00 52.86 52.54 1ixy s ASN 36 Cb -0.10 -2.31 -0.03 0.00 -1.54 0.00 0.00 41.25 37.28 1ixy s ASN 36 CO 0.04 -0.80 -0.16 0.54 -3.04 0.00 0.00 177.10 173.67 1ixy s VAL 37 N 2.79 1.26 0.14 -5.21 0.11 -1.26 -1.22 120.40 117.01 1ixy s VAL 37 Ca 0.21 -1.21 0.10 0.00 -2.93 0.00 0.00 61.98 58.15 1ixy s VAL 37 Cb -0.15 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1ixy s VAL 37 CO 0.17 -0.06 -0.23 -1.81 -3.33 0.00 0.00 175.10 169.84 1ixy s ASP 38 N -1.46 2.95 -0.20 3.54 1.01 0.42 -4.99 116.67 117.93 1ixy s ASP 38 Ca 0.02 -0.76 -0.05 0.00 0.71 0.00 0.00 52.55 52.46 1ixy s ASP 38 Cb -0.09 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.63 1ixy s ASP 38 CO 0.02 0.09 -0.01 -0.63 0.21 0.00 0.00 175.17 174.85 1ixy s ILE 39 N -1.36 3.88 -0.17 0.77 1.01 -1.26 -0.17 121.20 123.89 1ixy s ILE 39 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1ixy s ILE 39 Cb -0.09 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1ixy s ILE 39 CO 0.06 0.43 0.05 -0.63 0.00 0.00 0.00 174.94 174.85 1ixy s ILE 40 N 1.04 4.73 0.00 2.92 -1.09 -0.45 -1.09 121.20 127.27 1ixy s ILE 40 Ca 0.02 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1ixy s ILE 40 Cb -0.14 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1ixy s ILE 40 CO 0.01 0.47 0.00 -0.24 -1.23 0.00 0.00 174.94 173.96 1ixy n SER 41 N 3.43 0.00 -0.09 3.58 2.88 -0.04 -4.47 113.62 118.91 1ixy n SER 41 Ca -0.17 -0.37 -0.03 0.00 -1.33 0.00 0.00 58.87 56.97 1ixy n SER 41 Cb 0.52 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.71 -8.20 2.46 3.38 -1.89 0.29 115.31 112.06 1ixy h LEU 42 Ca 0.00 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1ixy h LEU 42 Cb 0.00 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.43 1ixy h LEU 42 CO 0.00 0.75 -0.45 -0.54 0.09 0.00 0.00 178.44 178.30 1ixy s LYS 43 N -5.05 1.05 0.38 1.13 1.02 -1.26 -4.44 119.74 112.57 1ixy s LYS 43 Ca -0.09 -1.26 -0.27 0.00 0.02 0.00 0.00 55.97 54.37 1ixy s LYS 43 Cb 0.15 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.69 1ixy s LYS 43 CO 0.80 -0.35 1.24 -0.80 -0.92 0.00 0.00 175.35 175.32 1ixy s ASN 44 N -2.99 6.56 0.10 2.83 -0.87 -1.25 -4.16 114.94 115.17 1ixy s ASN 44 Ca 0.19 2.53 -0.03 0.00 -1.57 0.00 0.00 52.86 53.98 1ixy s ASN 44 Cb 0.05 -2.63 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 1ixy s ASN 44 CO -0.00 -0.67 0.19 0.61 -2.57 0.00 0.00 177.10 174.67 1ixy n GLY 45 N 0.73 2.02 0.18 0.66 0.00 0.16 -4.91 105.19 104.03 1ixy n GLY 45 Ca 0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 1.27 0.80 -0.01 1.61 2.07 -1.94 -3.12 116.25 116.92 1ixy h VAL 46 Ca -0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ixy h VAL 46 Cb 0.33 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ixy h VAL 46 CO 0.11 0.04 -0.26 -1.22 0.02 0.00 0.00 177.57 176.27 1ixy n TYR 47 N -5.08 0.00 -4.63 1.57 4.01 -1.26 -5.03 117.16 106.74 1ixy n TYR 47 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 1ixy n TYR 47 Cb 0.19 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.80 1.35 0.06 -0.72 -4.23 -1.18 -4.06 115.64 105.06 1ixy s THR 48 Ca 0.15 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 1ixy s THR 48 Cb 0.13 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 1ixy s THR 48 CO 0.36 0.23 0.10 -0.54 -0.54 0.00 0.00 174.62 174.23 1ixy s LYS 49 N -0.79 3.00 0.30 3.99 1.02 -0.25 0.40 119.74 127.41 1ixy s LYS 49 Ca 0.05 -0.61 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 1ixy s LYS 49 Cb -0.07 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.34 1ixy s LYS 49 CO 0.01 0.59 1.02 0.45 -0.92 0.00 0.00 175.35 176.50 1ixy s SER 50 N -2.25 7.27 0.41 2.83 0.15 -1.26 -0.86 113.70 119.99 1ixy s SER 50 Ca 0.28 2.07 0.10 0.00 0.70 0.00 0.00 55.95 59.10 1ixy s SER 50 Cb -0.12 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.44 1ixy s SER 50 CO 0.21 -0.13 1.98 -0.26 1.20 0.00 0.00 173.24 176.24 1ixy h PHE 51 N 3.51 0.30 -0.00 3.44 0.04 -1.14 -2.37 116.94 120.72 1ixy h PHE 51 Ca -0.47 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1ixy h PHE 51 Cb 1.21 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1ixy h PHE 51 CO 0.60 0.31 -0.07 -0.25 -0.60 0.00 0.00 178.31 178.30 1ixy n ASP 52 N -4.36 0.32 0.00 2.17 10.43 -1.26 -3.83 116.55 120.01 1ixy n ASP 52 Ca 0.00 -0.49 0.00 0.00 2.57 0.00 0.00 54.79 56.87 1ixy n ASP 52 Cb 0.19 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 43.02 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 -1.04 2.72 -4.47 -1.24 1.02 -0.90 -5.03 120.64 111.70 1ixy n GLU 53 Ca 0.15 -1.42 -0.20 0.00 -0.02 0.00 0.00 57.16 55.67 1ixy n GLU 53 Cb 0.26 -0.97 -0.15 0.00 -0.02 0.00 0.00 31.44 30.56 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 -0.92 0.86 -0.66 2.62 -7.23 -1.15 -4.95 120.40 108.97 1ixy s VAL 54 Ca 0.00 -0.45 -0.26 0.00 -1.81 0.00 0.00 61.98 59.46 1ixy s VAL 54 Cb 0.00 -0.73 0.04 0.00 0.56 0.00 0.00 36.38 36.25 1ixy s VAL 54 CO 0.00 0.25 1.15 -0.62 -0.31 0.00 0.00 175.10 175.57 1ixy s ASP 55 N -0.16 6.25 0.40 4.85 2.15 -1.26 -4.89 116.67 124.02 1ixy s ASP 55 Ca 0.03 -0.41 0.21 0.00 0.43 0.00 0.00 52.55 52.81 1ixy s ASP 55 Cb -0.05 -2.51 1.21 0.00 -0.30 0.00 0.00 42.92 41.26 1ixy s ASP 55 CO -0.00 -1.60 1.70 1.62 -0.17 0.00 0.00 175.17 176.72 1ixy h VAL 56 N 6.05 0.35 0.00 1.11 3.04 -1.92 0.26 116.25 125.14 1ixy h VAL 56 Ca -0.27 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1ixy h VAL 56 Cb 1.06 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1ixy h VAL 56 CO 1.21 0.05 0.00 0.59 -1.01 0.00 0.00 177.57 178.41 1ixy n ASN 57 N -4.73 0.01 -0.90 3.17 3.02 -1.26 -2.46 115.26 112.10 1ixy n ASN 57 Ca 0.31 -1.54 0.10 0.00 -0.03 0.00 0.00 54.58 53.41 1ixy n ASN 57 Cb 1.08 -0.00 0.27 0.00 -0.61 0.00 0.00 39.78 40.52 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 -0.50 2.67 -4.44 6.41 8.00 0.93 -4.85 116.55 124.78 1ixy n ASP 58 Ca 0.00 -1.92 -0.33 0.00 0.71 0.00 0.00 54.79 53.25 1ixy n ASP 58 Cb 0.00 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.50 2.93 -0.40 1.24 2.02 -1.03 -4.83 117.35 115.78 1ixy s TYR 59 Ca 0.35 -0.47 0.26 0.00 -0.37 0.00 0.00 57.07 56.84 1ixy s TYR 59 Cb 0.19 -1.91 0.73 0.00 -0.40 0.00 0.00 41.96 40.57 1ixy s TYR 59 CO 0.27 -0.13 1.74 -0.44 -1.57 0.00 0.00 175.55 175.42 1ixy h ASP 60 N 6.74 0.00 -3.48 2.29 3.32 -1.07 -3.43 116.42 120.79 1ixy h ASP 60 Ca -0.29 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.51 1ixy h ASP 60 Cb 1.20 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 1ixy h ASP 60 CO 0.60 0.00 -0.62 -0.13 -1.72 0.00 0.00 179.24 177.36 1ixy s ARG 61 N -3.29 0.07 -0.29 3.56 1.81 -1.12 -4.95 118.95 114.75 1ixy s ARG 61 Ca 0.06 0.31 0.02 0.00 -1.72 0.00 0.00 55.73 54.40 1ixy s ARG 61 Cb 0.08 -0.17 0.06 0.00 -0.45 0.00 0.00 34.95 34.48 1ixy s ARG 61 CO 0.60 -0.15 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.85 1ixy s LEU 62 N 1.03 3.78 -0.12 2.53 2.96 -1.26 -1.39 118.68 126.22 1ixy s LEU 62 Ca -0.08 -1.47 -0.10 0.00 -0.22 0.00 0.00 54.13 52.26 1ixy s LEU 62 Cb -0.11 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1ixy s LEU 62 CO -0.05 -0.24 0.22 -0.63 -1.32 0.00 0.00 176.35 174.33 1ixy s ILE 63 N 1.12 5.36 -0.10 6.68 1.01 0.69 -2.04 121.20 133.91 1ixy s ILE 63 Ca -0.05 0.40 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 1ixy s ILE 63 Cb -0.20 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ixy s ILE 63 CO -0.04 0.54 -0.08 -0.69 0.00 0.00 0.00 174.94 174.67 1ixy s VAL 64 N -0.52 1.01 0.06 2.92 1.01 0.51 -1.58 120.40 123.80 1ixy s VAL 64 Ca 0.16 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1ixy s VAL 64 Cb -0.13 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1ixy s VAL 64 CO 0.05 0.36 1.00 -0.69 0.00 0.00 0.00 175.10 175.82 1ixy s VAL 65 N 1.54 4.57 0.61 2.92 1.01 0.81 -0.55 120.40 131.32 1ixy s VAL 65 Ca 0.02 1.98 -0.19 0.00 0.00 0.00 0.00 61.98 63.78 1ixy s VAL 65 Cb -0.13 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1ixy s VAL 65 CO -0.06 0.23 1.30 0.54 0.00 0.00 0.00 175.10 177.10 1ixy s ASN 66 N 0.53 4.90 0.19 3.32 6.03 -0.78 -2.19 114.94 126.94 1ixy s ASN 66 Ca 0.50 2.63 -0.23 0.00 -1.03 0.00 0.00 52.86 54.73 1ixy s ASN 66 Cb -0.23 -2.62 0.06 0.00 -3.03 0.00 0.00 41.25 35.42 1ixy s ASN 66 CO 0.29 -1.81 0.63 -0.94 -2.03 0.00 0.00 177.10 173.25 1ixy s SER 67 N -1.30 -0.49 0.84 3.54 1.04 -1.26 -4.73 113.70 111.34 1ixy s SER 67 Ca 0.78 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 1ixy s SER 67 Cb -0.37 0.63 0.16 0.00 0.10 0.00 0.00 66.02 66.54 1ixy s SER 67 CO 0.41 -1.06 1.05 -1.54 0.98 0.00 0.00 173.24 173.08 1ixy n SER 68 N -0.40 0.72 -3.91 7.02 3.41 -1.26 -4.72 113.62 114.48 1ixy n SER 68 Ca -0.14 -1.77 -0.29 0.00 -0.26 0.00 0.00 58.87 56.41 1ixy n SER 68 Cb 0.63 -0.74 -0.13 0.00 -0.26 0.00 0.00 64.21 63.71 1ixy n SER 68 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ixy s ILE 69 N -3.18 2.59 -0.42 -1.33 1.01 -1.26 -4.65 121.20 113.95 1ixy s ILE 69 Ca 0.64 -3.64 -0.02 0.00 0.00 0.00 0.00 60.65 57.64 1ixy s ILE 69 Cb -0.03 -2.76 0.11 0.00 0.01 0.00 0.00 42.46 39.80 1ixy s ILE 69 CO 0.44 -0.89 0.21 0.21 0.00 0.00 0.00 174.94 174.90 1ixy s ASN 70 N -0.70 5.17 -1.40 3.58 3.84 -1.26 -5.01 114.94 119.16 1ixy s ASN 70 Ca 0.20 -2.16 -0.14 0.00 0.21 0.00 0.00 52.86 50.98 1ixy s ASN 70 Cb -0.17 -1.80 0.07 0.00 -0.55 0.00 0.00 41.25 38.80 1ixy s ASN 70 CO -0.07 -0.50 2.07 0.49 -2.79 0.00 0.00 177.10 176.31 1ixy n PHE 71 N 4.40 3.65 -1.36 0.43 3.72 -1.26 -4.85 117.46 122.19 1ixy n PHE 71 Ca -0.00 -2.94 -0.48 0.00 -0.05 0.00 0.00 57.45 53.98 1ixy n PHE 71 Cb 0.41 -2.45 -0.04 0.00 -0.94 0.00 0.00 39.48 36.46 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 6.03 -0.31 -1.12 1.38 3.01 -1.26 0.10 117.46 125.30 1ixy n PHE 72 Ca 0.49 0.95 -0.04 0.00 1.01 0.00 0.00 57.45 59.86 1ixy n PHE 72 Cb 0.40 -1.90 -0.02 0.00 -0.01 0.00 0.00 39.48 37.95 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 1.85 0.44 2.42 1.37 0.00 -1.26 -0.29 105.19 109.72 1ixy n GLY 73 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.25 0.97 3.81 -0.02 0.00 0.28 -4.98 105.19 105.51 1ixy n GLY 74 Ca -0.04 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.45 2.93 0.25 1.61 1.02 0.61 -4.98 119.74 118.72 1ixy s LYS 75 Ca 0.00 -0.94 -0.31 0.00 0.02 0.00 0.00 55.97 54.74 1ixy s LYS 75 Cb 0.00 -2.62 -0.13 0.00 -0.52 0.00 0.00 37.83 34.56 1ixy s LYS 75 CO 0.00 0.45 1.44 -2.30 -0.92 0.00 0.00 175.35 174.02 1ixy n PRO 76 N -0.72 2.15 -3.79 -1.68 -0.02 -1.26 -4.02 135.00 125.66 1ixy n PRO 76 Ca -0.08 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1ixy n PRO 76 Cb 0.56 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.31 5.19 0.33 2.55 3.84 -1.26 -4.93 114.94 120.97 1ixy s ASN 77 Ca 0.67 -1.47 0.06 0.00 0.21 0.00 0.00 52.86 52.33 1ixy s ASN 77 Cb -0.62 -1.82 0.73 0.00 -0.55 0.00 0.00 41.25 38.99 1ixy s ASN 77 CO 0.50 -0.39 1.86 -0.07 -2.79 0.00 0.00 177.10 176.20 1ixy h LEU 78 N 8.12 0.75 -0.47 3.21 -0.00 -1.98 -1.75 115.31 123.19 1ixy h LEU 78 Ca -0.20 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.74 1ixy h LEU 78 Cb 1.07 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 1ixy h LEU 78 CO 0.62 0.38 0.30 0.00 -0.00 0.00 0.00 178.44 179.74 1ixy h ALA 79 N 1.58 0.60 0.02 1.53 0.00 -1.91 0.32 119.26 121.40 1ixy h ALA 79 Ca 0.47 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 1ixy h ALA 79 Cb 0.65 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ixy h ALA 79 CO -0.23 0.01 -0.49 0.97 0.00 0.00 0.00 179.25 179.51 1ixy h ILE 80 N 0.60 1.49 -0.73 0.00 6.09 -1.51 -2.98 117.51 120.47 1ixy h ILE 80 Ca 0.18 -2.11 -0.04 0.00 -1.37 0.00 0.00 64.86 61.52 1ixy h ILE 80 Cb -0.03 2.76 -0.03 0.00 0.47 0.00 0.00 36.82 39.99 1ixy h ILE 80 CO -0.06 0.60 0.29 -0.07 -3.07 0.00 0.00 178.15 175.84 1ixy h LEU 81 N -0.30 0.99 -0.38 2.19 3.38 -1.31 -1.95 115.31 117.92 1ixy h LEU 81 Ca -0.07 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 1ixy h LEU 81 Cb 1.24 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ixy h LEU 81 CO 0.10 0.88 -0.61 0.28 0.09 0.00 0.00 178.44 179.18 1ixy h SER 82 N 1.06 0.76 0.03 -0.43 0.02 -1.02 -1.96 113.55 112.01 1ixy h SER 82 Ca 0.25 -0.43 -0.22 0.00 -0.84 0.00 0.00 61.79 60.54 1ixy h SER 82 Cb 0.20 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ixy h SER 82 CO -0.02 1.19 -0.84 0.00 -1.14 0.00 0.00 176.83 176.02 1ixy h ALA 83 N 0.82 0.35 -0.44 3.77 0.00 -1.43 -2.05 119.26 120.28 1ixy h ALA 83 Ca -0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1ixy h ALA 83 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ixy h ALA 83 CO 0.12 0.72 0.03 1.96 0.00 0.00 0.00 179.25 182.08 1ixy h GLN 84 N 0.42 0.76 -0.69 0.00 4.20 -1.40 0.39 115.11 118.79 1ixy h GLN 84 Ca -0.07 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.44 1ixy h GLN 84 Cb 1.46 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 1ixy h GLN 84 CO 0.16 0.81 0.46 -0.22 -0.67 0.00 0.00 178.83 179.37 1ixy h LYS 85 N 0.61 0.85 -0.00 1.46 3.64 -1.35 0.82 116.57 122.60 1ixy h LYS 85 Ca 0.13 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ixy h LYS 85 Cb 0.45 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ixy h LYS 85 CO 0.02 0.56 -0.00 0.35 -2.27 0.00 0.00 179.45 178.11 1ixy h PHE 86 N 0.87 0.00 -0.86 1.91 3.57 -0.69 -2.96 116.94 118.78 1ixy h PHE 86 Ca 0.27 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ixy h PHE 86 Cb -0.00 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1ixy h PHE 86 CO -0.00 0.38 0.46 0.52 -2.23 0.00 0.00 178.31 177.44 1ixy h MET 87 N -0.38 1.21 -0.52 1.11 2.86 0.48 -2.53 114.93 117.18 1ixy h MET 87 Ca 0.00 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1ixy h MET 87 Cb 0.38 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1ixy h MET 87 CO 0.00 0.90 0.36 0.00 1.06 0.00 0.00 176.91 179.23 1ixy h ALA 88 N 1.29 2.29 0.00 6.32 0.00 0.75 -0.85 119.26 129.06 1ixy h ALA 88 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ixy h ALA 88 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ixy h ALA 88 CO -0.05 -0.43 -0.24 1.63 0.00 0.00 0.00 179.25 180.17 1ixy n LYS 89 N -4.43 0.23 -2.46 0.00 5.02 -0.96 -4.67 118.16 110.89 1ixy n LYS 89 Ca 0.09 0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 1ixy n LYS 89 Cb 0.49 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1ixy n LYS 89 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ixy s TYR 90 N -3.10 3.27 -0.45 2.13 5.04 -0.32 -4.81 117.35 119.11 1ixy s TYR 90 Ca 0.10 1.63 0.07 0.00 -2.44 0.00 0.00 57.07 56.43 1ixy s TYR 90 Cb 0.14 -3.23 -0.05 0.00 0.35 0.00 0.00 41.96 39.17 1ixy s TYR 90 CO 0.64 -0.81 0.38 1.63 -1.34 0.00 0.00 175.55 176.05 1ixy n LYS 91 N 0.22 3.83 -3.10 4.97 4.01 -1.26 -4.50 118.16 122.33 1ixy n LYS 91 Ca 0.04 -0.19 -0.18 0.00 -0.51 0.00 0.00 58.31 57.46 1ixy n LYS 91 Cb 0.48 -0.89 0.02 0.00 -0.51 0.00 0.00 35.03 34.13 1ixy n LYS 91 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1ixy s SER 92 N -1.45 5.41 0.34 4.39 0.01 -1.26 -4.83 113.70 116.31 1ixy s SER 92 Ca 0.04 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 1ixy s SER 92 Cb 0.05 -0.34 -0.12 0.00 0.21 0.00 0.00 66.02 65.83 1ixy s SER 92 CO 0.24 -0.93 1.44 1.17 0.41 0.00 0.00 173.24 175.57 1ixy n LYS 93 N -1.93 2.46 -4.41 12.44 4.81 -1.26 -4.55 118.16 125.70 1ixy n LYS 93 Ca 0.10 0.86 -0.34 0.00 -0.87 0.00 0.00 58.31 58.06 1ixy n LYS 93 Cb 0.60 -2.55 -0.12 0.00 0.02 0.00 0.00 35.03 32.98 1ixy n LYS 93 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ixy s ILE 94 N -0.84 3.90 -0.33 3.15 1.01 -0.46 -4.25 121.20 123.37 1ixy s ILE 94 Ca 0.57 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 1ixy s ILE 94 Cb -0.52 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 1ixy s ILE 94 CO 0.60 0.50 0.19 -0.31 0.00 0.00 0.00 174.94 175.92 1ixy s TYR 95 N 0.26 3.20 -0.29 3.97 2.02 -0.87 -0.24 117.35 125.41 1ixy s TYR 95 Ca -0.03 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.99 1ixy s TYR 95 Cb -0.14 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 1ixy s TYR 95 CO 0.03 -0.47 0.32 -0.47 -1.57 0.00 0.00 175.55 173.39 1ixy s TYR 96 N 1.64 3.23 -0.54 2.71 5.04 -0.15 -0.36 117.35 128.90 1ixy s TYR 96 Ca 0.05 0.21 -0.24 0.00 -2.44 0.00 0.00 57.07 54.65 1ixy s TYR 96 Cb -0.18 -2.54 0.04 0.00 0.35 0.00 0.00 41.96 39.64 1ixy s TYR 96 CO 0.08 -0.26 0.90 -0.51 -1.34 0.00 0.00 175.55 174.42 1ixy s LEU 97 N 1.97 4.20 -0.81 6.97 1.43 0.29 -1.39 118.68 131.33 1ixy s LEU 97 Ca 0.12 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 1ixy s LEU 97 Cb -0.16 -2.79 0.17 0.00 0.03 0.00 0.00 46.19 43.44 1ixy s LEU 97 CO 0.11 -1.19 0.87 0.12 0.23 0.00 0.00 176.35 176.49 1ixy s PHE 98 N 3.79 3.41 -0.62 0.29 5.36 -0.59 -1.87 117.98 127.74 1ixy s PHE 98 Ca 0.29 -1.60 0.15 0.00 -0.96 0.00 0.00 56.93 54.80 1ixy s PHE 98 Cb -0.13 -4.00 -0.17 0.00 -0.34 0.00 0.00 43.02 38.38 1ixy s PHE 98 CO 0.18 -1.21 0.59 0.25 -1.46 0.00 0.00 175.22 173.58 1ixy n THR 99 N 4.77 0.00 -3.84 0.12 -2.24 -1.26 -1.51 114.28 110.33 1ixy n THR 99 Ca 0.12 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1ixy n THR 99 Cb 0.47 0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.52 3.32 0.63 3.42 3.68 -1.26 -4.92 116.67 119.02 1ixy s ASP 100 Ca 0.04 -0.97 0.23 0.00 2.13 0.00 0.00 52.55 53.98 1ixy s ASP 100 Cb 0.11 -0.88 1.12 0.00 -1.45 0.00 0.00 42.92 41.82 1ixy s ASP 100 CO 0.61 -0.27 1.61 -0.29 0.13 0.00 0.00 175.17 176.96 1ixy h ILE 101 N 6.58 0.10 -0.17 4.11 6.09 -1.94 1.06 117.51 133.35 1ixy h ILE 101 Ca -0.17 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1ixy h ILE 101 Cb 1.10 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.78 1ixy h ILE 101 CO 0.37 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.99 1ixy n ARG 102 N -3.10 1.58 -2.64 2.19 5.12 -1.26 -4.35 116.66 114.21 1ixy n ARG 102 Ca 0.06 -0.89 -0.25 0.00 -1.93 0.00 0.00 57.85 54.85 1ixy n ARG 102 Cb 0.80 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.76 1ixy n ARG 102 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ixy n LEU 103 N 0.13 4.14 -4.77 0.55 4.77 0.37 -4.84 117.00 117.35 1ixy n LEU 103 Ca 0.14 -5.16 -0.39 0.00 -0.03 0.00 0.00 56.01 50.57 1ixy n LEU 103 Cb 0.26 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1ixy n LEU 103 CO 0.11 2.20 0.82 -2.16 -1.33 0.00 0.00 177.39 177.03 1ixy s PRO 104 N -3.43 4.34 0.48 3.23 0.04 -1.26 -4.21 135.00 134.19 1ixy s PRO 104 Ca 0.46 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1ixy s PRO 104 Cb 0.37 -2.90 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 1ixy s PRO 104 CO -0.15 -0.07 1.39 0.34 0.04 0.00 0.00 177.00 178.55 1ixy n PHE 105 N 0.57 2.49 -3.60 0.56 7.35 -1.26 -4.93 117.46 118.64 1ixy n PHE 105 Ca 0.02 0.44 -0.15 0.00 -0.76 0.00 0.00 57.45 57.00 1ixy n PHE 105 Cb 0.46 -2.42 -0.07 0.00 0.35 0.00 0.00 39.48 37.80 1ixy n PHE 105 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1ixy s SER 106 N -0.64 -0.71 0.59 -2.13 1.04 -1.26 -4.90 113.70 105.68 1ixy s SER 106 Ca 0.65 1.21 -0.20 0.00 0.48 0.00 0.00 55.95 58.10 1ixy s SER 106 Cb -0.44 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1ixy s SER 106 CO 0.54 -0.35 1.26 -1.10 0.98 0.00 0.00 173.24 174.57 1ixy s GLN 107 N -0.09 2.96 -0.02 4.02 -1.52 -1.26 -4.95 119.66 118.80 1ixy s GLN 107 Ca -0.03 1.98 0.19 0.00 -1.95 0.00 0.00 55.36 55.54 1ixy s GLN 107 Cb -0.04 -2.02 -0.27 0.00 -0.22 0.00 0.00 33.01 30.46 1ixy s GLN 107 CO 0.04 -1.25 0.50 -1.13 -0.25 0.00 0.00 175.29 173.19 1ixy n SER 108 N -1.46 0.70 0.01 5.90 3.41 -1.26 -4.53 113.62 116.39 1ixy n SER 108 Ca 0.13 -0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1ixy n SER 108 Cb 0.48 1.67 -0.04 0.00 -0.26 0.00 0.00 64.21 66.06 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 -0.26 -1.02 7.33 -0.00 -1.93 0.12 115.95 120.20 1ixy h TRP 109 Ca 0.00 0.01 0.26 0.00 -0.00 0.00 0.00 58.89 59.16 1ixy h TRP 109 Cb 0.77 0.13 -0.08 0.00 -0.00 0.00 0.00 29.16 29.98 1ixy h TRP 109 CO 0.00 -0.16 0.67 -1.35 -0.00 0.00 0.00 178.44 177.60 1ixy h PRO 110 N -0.14 0.35 0.17 2.65 0.11 -1.99 0.62 132.00 133.76 1ixy h PRO 110 Ca 0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1ixy h PRO 110 Cb 0.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ixy h PRO 110 CO -0.17 0.23 -0.08 -0.97 -0.21 0.00 0.00 178.00 176.80 1ixy h ASN 111 N 0.36 -0.19 -0.80 -2.05 -0.73 -1.59 -3.32 115.58 107.26 1ixy h ASN 111 Ca 0.56 0.01 0.14 0.00 1.87 0.00 0.00 56.30 58.87 1ixy h ASN 111 Cb 1.49 0.05 -0.09 0.00 0.27 0.00 0.00 38.32 40.04 1ixy h ASN 111 CO -0.24 0.27 0.38 0.58 -0.37 0.00 0.00 177.43 178.06 1ixy h VAL 112 N -1.05 0.73 -0.98 2.57 2.07 -0.21 -2.20 116.25 117.18 1ixy h VAL 112 Ca -0.02 -0.19 0.26 0.00 0.82 0.00 0.00 66.70 67.56 1ixy h VAL 112 Cb 0.17 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 29.92 1ixy h VAL 112 CO 0.04 0.10 0.54 0.50 0.02 0.00 0.00 177.57 178.77 1ixy h LYS 113 N 0.57 0.46 -0.66 1.57 3.64 0.10 -0.38 116.57 121.87 1ixy h LYS 113 Ca 0.43 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1ixy h LYS 113 Cb 0.60 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ixy h LYS 113 CO -0.36 0.31 0.00 0.09 -2.27 0.00 0.00 179.45 177.22 1ixy n ASN 114 N -4.96 3.98 -4.92 4.20 3.02 -0.83 -4.75 115.26 111.00 1ixy n ASN 114 Ca 0.27 -2.49 -0.30 0.00 -0.03 0.00 0.00 54.58 52.04 1ixy n ASN 114 Cb 0.77 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.00 3.50 0.08 3.52 1.81 -0.15 -4.99 118.95 120.72 1ixy s ARG 115 Ca 0.38 -0.36 0.10 0.00 -1.72 0.00 0.00 55.73 54.13 1ixy s ARG 115 Cb 0.27 -2.94 0.46 0.00 -0.45 0.00 0.00 34.95 32.29 1ixy s ARG 115 CO 0.15 0.52 1.31 -0.35 -0.68 0.00 0.00 175.30 176.25 1ixy n PRO 116 N -0.10 0.04 -0.84 3.54 -0.04 -1.26 -1.39 135.00 134.95 1ixy n PRO 116 Ca -0.05 0.44 -0.06 0.00 -0.04 0.00 0.00 63.50 63.80 1ixy n PRO 116 Cb 0.52 -1.61 0.20 0.00 -0.04 0.00 0.00 33.50 32.57 1ixy n PRO 116 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ixy n TRP 117 N -1.69 1.31 -0.05 0.54 4.27 -1.26 -4.63 117.44 115.92 1ixy n TRP 117 Ca 0.01 -1.60 0.01 0.00 -3.89 0.00 0.00 57.50 52.03 1ixy n TRP 117 Cb 0.08 -0.54 0.32 0.00 -1.36 0.00 0.00 31.31 29.81 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 1.05 1.48 0.00 -1.67 0.00 -1.38 -2.12 119.26 116.62 1ixy h ALA 118 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ixy h ALA 118 Cb 1.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ixy h ALA 118 CO 0.46 0.40 0.00 2.48 0.00 0.00 0.00 179.25 182.60 1ixy n TYR 119 N -4.37 0.00 0.32 0.00 4.11 -1.26 -1.38 117.16 114.58 1ixy n TYR 119 Ca 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.05 1ixy n TYR 119 Cb 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.47 1ixy n TYR 119 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1ixy n LEU 120 N -1.00 0.59 -4.39 -3.48 4.77 -0.80 -4.97 117.00 107.72 1ixy n LEU 120 Ca 0.02 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1ixy n LEU 120 Cb 0.01 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1ixy n LEU 120 CO 0.01 -0.04 -0.14 -0.31 -1.33 0.00 0.00 177.39 175.58 1ixy s TYR 121 N -3.30 1.77 0.15 -1.77 1.51 -0.48 -5.18 117.35 110.04 1ixy s TYR 121 Ca 0.00 -1.51 -0.08 0.00 -1.01 0.00 0.00 57.07 54.48 1ixy s TYR 121 Cb 0.13 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1ixy s TYR 121 CO 0.81 -0.63 0.23 0.95 -1.11 0.00 0.00 175.55 175.81 1ixy s THR 122 N -3.33 0.09 0.32 -0.71 -4.23 -1.26 -4.95 115.64 101.56 1ixy s THR 122 Ca 0.32 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1ixy s THR 122 Cb 0.02 -1.78 0.21 0.00 1.34 0.00 0.00 72.50 72.29 1ixy s THR 122 CO 0.22 -0.39 1.92 -0.08 -0.54 0.00 0.00 174.62 175.75 1ixy h GLU 123 N 2.63 0.82 0.00 3.99 4.81 -1.96 -2.13 114.58 122.74 1ixy h GLU 123 Ca -0.33 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1ixy h GLU 123 Cb 1.22 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1ixy h GLU 123 CO 0.51 0.64 -0.09 1.49 -0.73 0.00 0.00 179.01 180.83 1ixy h GLU 124 N 0.82 0.00 0.12 1.92 4.81 -1.96 0.19 114.58 120.48 1ixy h GLU 124 Ca 0.20 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.08 1ixy h GLU 124 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1ixy h GLU 124 CO -0.03 0.09 -1.93 0.93 -0.73 0.00 0.00 179.01 177.35 1ixy h GLU 125 N 0.00 0.25 0.00 1.92 5.08 -1.83 -3.42 114.58 116.58 1ixy h GLU 125 Ca -0.00 -0.43 -0.28 0.00 -1.00 0.00 0.00 59.36 57.65 1ixy h GLU 125 Cb 0.39 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1ixy h GLU 125 CO 0.01 1.15 -2.10 1.28 -1.00 0.00 0.00 179.01 178.36 1ixy n LEU 126 N -3.45 0.25 -4.69 1.33 4.77 -0.85 -4.13 117.00 110.24 1ixy n LEU 126 Ca -0.29 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 1ixy n LEU 126 Cb 1.05 0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 42.43 1ixy n LEU 126 CO 0.44 0.36 1.17 -0.22 -1.33 0.00 0.00 177.39 177.82 1ixy s LEU 127 N -5.48 4.33 -0.45 2.23 2.96 0.65 -4.65 118.68 118.27 1ixy s LEU 127 Ca -0.08 2.22 -0.16 0.00 -0.22 0.00 0.00 54.13 55.89 1ixy s LEU 127 Cb 0.08 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.25 1ixy s LEU 127 CO 0.84 -0.76 0.42 -0.63 -1.32 0.00 0.00 176.35 174.90 1ixy s ILE 128 N 2.41 5.14 -0.51 6.68 1.01 -1.26 -4.63 121.20 130.05 1ixy s ILE 128 Ca 0.67 -0.69 0.22 0.00 0.00 0.00 0.00 60.65 60.85 1ixy s ILE 128 Cb -0.34 -4.09 -0.23 0.00 0.01 0.00 0.00 42.46 37.81 1ixy s ILE 128 CO 0.28 -0.51 0.78 0.29 0.00 0.00 0.00 174.94 175.78 1ixy n LYS 129 N 5.46 0.34 -1.62 2.79 5.02 -1.26 -4.93 118.16 123.96 1ixy n LYS 129 Ca -0.10 -0.07 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 1ixy n LYS 129 Cb 0.46 -1.54 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 1ixy n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ixy n SER 130 N -1.95 1.40 -4.77 4.39 7.64 -1.26 -4.91 113.62 114.16 1ixy n SER 130 Ca 0.00 0.79 -0.40 0.00 1.01 0.00 0.00 58.87 60.27 1ixy n SER 130 Cb 0.46 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 1ixy n SER 130 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ixy s PRO 131 N -3.22 4.35 -0.04 1.43 0.04 -1.26 -4.83 135.00 131.48 1ixy s PRO 131 Ca 0.79 2.12 0.05 0.00 0.04 0.00 0.00 61.00 64.01 1ixy s PRO 131 Cb -0.38 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1ixy s PRO 131 CO 0.44 -0.15 -0.18 0.42 0.04 0.00 0.00 177.00 177.56 1ixy s ILE 132 N -1.17 2.71 -0.23 0.56 1.01 0.38 -1.36 121.20 123.11 1ixy s ILE 132 Ca 0.49 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1ixy s ILE 132 Cb -0.38 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1ixy s ILE 132 CO 0.50 0.59 -0.08 -0.75 0.00 0.00 0.00 174.94 175.19 1ixy s LYS 133 N -0.67 2.92 -0.11 2.79 2.20 0.67 -1.23 119.74 126.31 1ixy s LYS 133 Ca 0.11 -0.91 -0.24 0.00 -0.36 0.00 0.00 55.97 54.56 1ixy s LYS 133 Cb -0.10 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 1ixy s LYS 133 CO 0.00 -0.34 0.75 0.08 -0.36 0.00 0.00 175.35 175.47 1ixy s VAL 134 N 1.34 4.98 -0.40 4.02 1.01 0.23 -0.98 120.40 130.60 1ixy s VAL 134 Ca 0.02 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 1ixy s VAL 134 Cb -0.16 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.26 1ixy s VAL 134 CO -0.06 0.16 0.19 -0.63 0.00 0.00 0.00 175.10 174.77 1ixy s ILE 135 N 1.36 3.21 0.22 2.22 1.01 -0.49 -1.23 121.20 127.51 1ixy s ILE 135 Ca 0.37 -2.08 -0.26 0.00 0.00 0.00 0.00 60.65 58.68 1ixy s ILE 135 Cb -0.17 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 1ixy s ILE 135 CO 0.16 -0.69 0.85 -0.55 0.00 0.00 0.00 174.94 174.71 1ixy s SER 136 N 1.75 7.43 0.17 3.58 0.15 -0.90 -1.55 113.70 124.34 1ixy s SER 136 Ca 0.08 1.75 0.06 0.00 0.70 0.00 0.00 55.95 58.55 1ixy s SER 136 Cb -0.22 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.52 1ixy s SER 136 CO -0.04 0.14 1.38 -0.61 1.20 0.00 0.00 173.24 175.30 1ixy h GLN 137 N 4.01 0.06 -6.49 5.44 5.75 -1.44 -1.86 115.11 120.57 1ixy h GLN 137 Ca -0.46 -0.07 -0.53 0.00 -0.15 0.00 0.00 58.65 57.43 1ixy h GLN 137 Cb 1.20 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 1ixy h GLN 137 CO 0.66 0.90 0.13 0.20 -2.65 0.00 0.00 178.83 178.08 1ixy s GLY 138 N -4.60 2.81 0.37 2.39 0.00 -1.26 -4.60 107.32 102.43 1ixy s GLY 138 Ca -0.01 0.27 0.20 0.00 0.00 0.00 0.00 44.72 45.18 1ixy s GLY 138 CO 0.81 0.73 1.65 1.19 0.00 0.00 0.00 173.10 177.48 1ixy h ILE 139 N 3.21 0.69 -0.86 0.90 2.10 -1.84 -3.39 117.51 118.32 1ixy h ILE 139 Ca -0.48 -1.60 -0.49 0.00 1.08 0.00 0.00 64.86 63.37 1ixy h ILE 139 Cb 1.20 2.06 -0.07 0.00 -1.09 0.00 0.00 36.82 38.92 1ixy h ILE 139 CO 0.65 0.33 1.36 0.21 -1.08 0.00 0.00 178.15 179.63 1ixy s ASN 140 N -6.33 5.98 0.40 2.19 3.84 -1.26 -4.77 114.94 114.98 1ixy s ASN 140 Ca 0.02 -1.46 0.10 0.00 0.21 0.00 0.00 52.86 51.73 1ixy s ASN 140 Cb 0.09 -2.57 0.82 0.00 -0.55 0.00 0.00 41.25 39.04 1ixy s ASN 140 CO 0.69 -2.01 1.93 -0.07 -2.79 0.00 0.00 177.10 174.85 1ixy h LEU 141 N 14.87 0.20 -0.72 3.21 3.38 -2.00 -2.82 115.31 131.43 1ixy h LEU 141 Ca 0.22 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.31 1ixy h LEU 141 Cb 0.97 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 1ixy h LEU 141 CO 1.35 0.35 0.06 0.44 0.09 0.00 0.00 178.44 180.72 1ixy h ASP 142 N 0.20 -0.22 -0.34 -0.43 3.32 -1.96 0.38 116.42 117.37 1ixy h ASP 142 Ca 0.04 0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 1ixy h ASP 142 Cb 0.34 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1ixy h ASP 142 CO 0.02 -0.12 -0.18 0.40 -1.72 0.00 0.00 179.24 177.63 1ixy h ILE 143 N 0.15 1.27 -0.09 0.35 2.04 -1.91 -1.84 117.51 117.48 1ixy h ILE 143 Ca 0.39 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1ixy h ILE 143 Cb 0.68 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ixy h ILE 143 CO -0.59 0.44 0.03 0.00 0.00 0.00 0.00 178.15 178.03 1ixy h ALA 144 N 1.07 0.09 -0.20 1.87 0.00 -0.53 -1.69 119.26 119.87 1ixy h ALA 144 Ca 0.11 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ixy h ALA 144 Cb 0.70 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1ixy h ALA 144 CO 0.05 -0.43 0.02 0.87 0.00 0.00 0.00 179.25 179.76 1ixy h LYS 145 N 0.08 0.09 -0.35 0.00 1.57 -0.24 -2.24 116.57 115.47 1ixy h LYS 145 Ca 0.04 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1ixy h LYS 145 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1ixy h LYS 145 CO -0.03 0.06 0.24 0.00 -0.57 0.00 0.00 179.45 179.15 1ixy h ALA 146 N 1.15 2.09 0.00 3.86 0.00 -1.04 0.24 119.26 125.56 1ixy h ALA 146 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ixy h ALA 146 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ixy h ALA 146 CO -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1ixy h ALA 147 N 1.81 1.00 -0.10 0.00 0.00 -0.71 -2.97 119.26 118.30 1ixy h ALA 147 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ixy h ALA 147 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ixy h ALA 147 CO -0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1ixy n HIS 148 N -2.83 0.26 -0.29 0.00 8.25 0.54 -4.75 115.22 116.40 1ixy n HIS 148 Ca 0.03 -0.80 0.18 0.00 -0.26 0.00 0.00 57.72 56.87 1ixy n HIS 148 Cb 0.38 -0.15 0.45 0.00 1.12 0.00 0.00 29.99 31.80 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 0.62 0.50 -0.01 -0.41 1.63 -0.52 -1.94 116.57 116.45 1ixy h LYS 149 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ixy h LYS 149 Cb 0.95 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1ixy h LYS 149 CO 0.05 0.33 -0.02 1.17 -3.45 0.00 0.00 179.45 177.53 1ixy n LYS 150 N -4.60 1.11 -3.96 1.90 3.00 -1.26 -4.80 118.16 109.54 1ixy n LYS 150 Ca 0.22 -0.33 -0.34 0.00 -0.00 0.00 0.00 58.31 57.85 1ixy n LYS 150 Cb 0.69 -1.49 -0.14 0.00 0.00 0.00 0.00 35.03 34.08 1ixy n LYS 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ixy s VAL 151 N -2.12 2.88 0.24 3.15 -7.23 -0.73 -5.03 120.40 111.56 1ixy s VAL 151 Ca 0.40 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 1ixy s VAL 151 Cb 0.21 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1ixy s VAL 151 CO 0.39 0.23 1.57 -2.24 -0.31 0.00 0.00 175.10 174.74 1ixy h ASP 152 N 8.02 0.35 0.00 4.85 3.04 -1.87 -3.15 116.42 127.66 1ixy h ASP 152 Ca -0.34 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.26 1ixy h ASP 152 Cb 1.11 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 1ixy h ASP 152 CO 0.58 0.83 0.00 -0.46 -2.04 0.00 0.00 179.24 178.15 1ixy n ASN 153 N -3.92 0.00 -4.48 4.15 6.94 -1.26 -4.44 115.26 112.24 1ixy n ASN 153 Ca -0.02 -1.05 -0.43 0.00 -0.02 0.00 0.00 54.58 53.06 1ixy n ASN 153 Cb 0.59 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.97 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 -2.00 4.33 -0.23 3.53 1.01 -1.19 0.15 120.40 125.99 1ixy s VAL 154 Ca 0.41 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.76 1ixy s VAL 154 Cb 0.19 -4.80 0.44 0.00 0.00 0.00 0.00 36.38 32.21 1ixy s VAL 154 CO 0.32 -1.59 1.28 2.30 0.00 0.00 0.00 175.10 177.41 1ixy n ILE 155 N 5.98 2.30 -3.64 2.22 -6.64 -0.37 -4.92 119.36 114.30 1ixy n ILE 155 Ca 0.11 -3.15 -0.04 0.00 -1.77 0.00 0.00 62.75 57.90 1ixy n ILE 155 Cb 0.48 -0.27 -0.07 0.00 -1.44 0.00 0.00 39.64 38.34 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 -3.25 0.50 0.01 6.28 2.12 -1.19 -5.00 118.70 118.18 1ixy s GLU 156 Ca 0.40 0.89 0.06 0.00 0.36 0.00 0.00 54.97 56.67 1ixy s GLU 156 Cb 0.38 0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.88 1ixy s GLU 156 CO -0.05 -0.11 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.32 1ixy s PHE 157 N 1.52 1.54 -0.24 5.30 0.08 -1.26 0.77 117.98 125.68 1ixy s PHE 157 Ca -0.09 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 1ixy s PHE 157 Cb -0.04 -0.96 0.08 0.00 -0.57 0.00 0.00 43.02 41.52 1ixy s PHE 157 CO -0.17 0.01 0.57 -2.00 -0.10 0.00 0.00 175.22 173.53 1ixy s GLU 158 N -0.68 0.56 0.25 0.44 2.12 -0.37 -4.97 118.70 116.06 1ixy s GLU 158 Ca 0.06 1.10 -0.30 0.00 0.36 0.00 0.00 54.97 56.19 1ixy s GLU 158 Cb -0.07 0.19 -0.09 0.00 0.26 0.00 0.00 34.13 34.42 1ixy s GLU 158 CO 0.00 -0.17 1.05 -0.47 -0.54 0.00 0.00 175.26 175.13 1ixy s TYR 159 N 1.80 3.71 -0.30 5.30 5.04 -1.26 -2.11 117.35 129.53 1ixy s TYR 159 Ca -0.09 1.76 -0.14 0.00 -2.44 0.00 0.00 57.07 56.16 1ixy s TYR 159 Cb -0.08 -3.18 0.14 0.00 0.35 0.00 0.00 41.96 39.19 1ixy s TYR 159 CO -0.17 -0.22 0.86 0.12 -1.34 0.00 0.00 175.55 174.80 1ixy s PHE 160 N -1.05 -0.88 -0.84 4.97 5.36 -0.70 -4.93 117.98 119.92 1ixy s PHE 160 Ca 0.44 1.58 -0.24 0.00 -0.96 0.00 0.00 56.93 57.75 1ixy s PHE 160 Cb -0.30 0.53 -0.17 0.00 -0.34 0.00 0.00 43.02 42.74 1ixy s PHE 160 CO 0.37 -0.44 1.90 -0.35 -1.46 0.00 0.00 175.22 175.25 1ixy n PRO 161 N 4.78 1.25 -0.18 10.12 -0.04 -1.26 -4.24 135.00 145.43 1ixy n PRO 161 Ca -0.13 -1.94 -0.01 0.00 -0.04 0.00 0.00 63.50 61.38 1ixy n PRO 161 Cb 0.53 -3.21 0.08 0.00 -0.04 0.00 0.00 33.50 30.86 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 5.27 0.62 0.00 0.52 2.04 -1.87 -2.72 117.51 121.37 1ixy h ILE 162 Ca 0.30 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1ixy h ILE 162 Cb 0.79 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1ixy h ILE 162 CO 1.66 0.03 0.00 -0.62 0.00 0.00 0.00 178.15 179.22 1ixy n GLU 163 N -5.19 0.46 0.00 2.37 1.02 -1.26 -2.08 120.64 115.96 1ixy n GLU 163 Ca 0.07 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1ixy n GLU 163 Cb 0.29 -1.13 0.19 0.00 -0.02 0.00 0.00 31.44 30.78 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 -0.07 0.24 -0.33 3.49 6.02 -1.02 -4.39 117.38 121.30 1ixy n GLN 164 Ca 0.00 -0.16 0.27 0.00 -0.01 0.00 0.00 57.00 57.11 1ixy n GLN 164 Cb 0.06 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 30.41 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 0.38 0.49 -0.31 1.08 -0.00 -1.65 -1.69 116.97 115.26 1ixy h TYR 165 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.73 1ixy h TYR 165 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 37.09 1ixy h TYR 165 CO 0.00 0.02 0.12 -0.22 -0.00 0.00 0.00 178.16 178.08 1ixy h LYS 166 N 0.27 0.47 0.00 0.10 3.64 -1.87 -2.36 116.57 116.81 1ixy h LYS 166 Ca 0.61 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1ixy h LYS 166 Cb 1.80 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1ixy h LYS 166 CO -0.24 0.48 0.00 0.44 -2.27 0.00 0.00 179.45 177.86 1ixy n ILE 167 N -4.72 0.76 1.05 2.00 -5.35 -0.65 -2.75 119.36 109.70 1ixy n ILE 167 Ca -0.02 0.11 0.12 0.00 -0.27 0.00 0.00 62.75 62.69 1ixy n ILE 167 Cb 0.14 -0.99 0.12 0.00 -1.74 0.00 0.00 39.64 37.17 1ixy n ILE 167 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1ixy n HIS 168 N -2.13 0.00 -0.66 4.28 8.25 -0.93 -4.89 115.22 119.14 1ixy n HIS 168 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 1ixy n HIS 168 Cb 0.27 -0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.55 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 0.84 -0.83 -0.04 -0.41 2.81 -0.94 -4.93 117.12 113.62 1ixy n MET 169 Ca 0.13 -0.19 -0.14 0.00 -1.81 0.00 0.00 57.70 55.69 1ixy n MET 169 Cb 0.54 -2.24 -0.08 0.00 -0.71 0.00 0.00 33.22 30.73 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 -2.00 0.41 -0.02 7.83 -0.26 -1.93 -3.23 115.58 116.37 1ixy h ASN 170 Ca -0.47 -0.56 0.00 0.00 -0.56 0.00 0.00 56.30 54.71 1ixy h ASN 170 Cb 1.29 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1ixy h ASN 170 CO 0.41 0.89 0.00 -0.90 -1.06 0.00 0.00 177.43 176.78 1ixy n ASP 171 N -4.48 0.48 -4.74 5.81 5.68 -1.26 -4.93 116.55 113.11 1ixy n ASP 171 Ca -0.07 -2.01 -0.41 0.00 -0.50 0.00 0.00 54.79 51.79 1ixy n ASP 171 Cb 0.44 -0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.21 1ixy n ASP 171 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1ixy s PHE 172 N -1.67 3.15 -0.03 2.11 2.19 -1.22 -5.03 117.98 117.47 1ixy s PHE 172 Ca 0.02 1.10 -0.06 0.00 0.33 0.00 0.00 56.93 58.33 1ixy s PHE 172 Cb 0.01 -3.71 0.01 0.00 -1.31 0.00 0.00 43.02 38.02 1ixy s PHE 172 CO 0.01 -2.29 0.14 -0.65 1.83 0.00 0.00 175.22 174.26 1ixy s GLN 173 N -0.11 0.28 0.69 10.12 -0.21 -1.26 -5.04 119.66 124.12 1ixy s GLN 173 Ca 0.59 -0.03 -0.14 0.00 0.02 0.00 0.00 55.36 55.80 1ixy s GLN 173 Cb -0.39 0.12 0.01 0.00 1.00 0.00 0.00 33.01 33.76 1ixy s GLN 173 CO 0.40 -0.05 1.12 -0.51 -2.12 0.00 0.00 175.29 174.13 1ixy s LEU 174 N -0.46 3.33 0.45 2.90 1.43 -1.26 -4.98 118.68 120.09 1ixy s LEU 174 Ca -0.05 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1ixy s LEU 174 Cb -0.04 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 1ixy s LEU 174 CO 0.01 -1.79 1.06 -0.44 0.23 0.00 0.00 176.35 175.41 1ixy s SER 175 N -2.59 6.49 0.58 2.29 0.01 -0.88 -5.05 113.70 114.54 1ixy s SER 175 Ca 0.67 2.02 -0.07 0.00 1.31 0.00 0.00 55.95 59.88 1ixy s SER 175 Cb -0.21 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 1ixy s SER 175 CO 0.44 -0.68 0.91 -0.54 0.41 0.00 0.00 173.24 173.78 1ixy s LYS 176 N -2.86 3.24 0.24 12.44 3.01 -1.26 -4.65 119.74 129.90 1ixy s LYS 176 Ca 0.63 0.27 -0.31 0.00 -1.01 0.00 0.00 55.97 55.55 1ixy s LYS 176 Cb -0.20 -2.23 -0.14 0.00 -1.01 0.00 0.00 37.83 34.25 1ixy s LYS 176 CO 0.25 -0.56 1.34 -2.30 0.51 0.00 0.00 175.35 174.58 1ixy n PRO 177 N -2.57 1.86 -4.55 -1.68 -0.02 -1.26 -4.71 135.00 122.06 1ixy n PRO 177 Ca 0.04 0.66 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 1ixy n PRO 177 Cb 0.56 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.20 1.27 0.10 3.45 2.01 -1.26 -5.10 115.64 115.90 1ixy s THR 178 Ca 0.68 -0.91 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 1ixy s THR 178 Cb -0.68 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.63 1ixy s THR 178 CO 0.51 0.18 1.64 -0.54 -0.69 0.00 0.00 174.62 175.72 1ixy s LYS 179 N -0.85 4.20 0.28 4.92 1.02 -1.26 -4.96 119.74 123.09 1ixy s LYS 179 Ca 0.05 2.35 -0.24 0.00 0.02 0.00 0.00 55.97 58.15 1ixy s LYS 179 Cb -0.07 -3.48 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 1ixy s LYS 179 CO 0.01 -0.71 0.86 0.15 -0.92 0.00 0.00 175.35 174.74 1ixy s LYS 180 N 2.24 4.46 0.00 1.68 -0.14 -1.26 -4.80 119.74 121.92 1ixy s LYS 180 Ca 0.73 1.15 0.00 0.00 -1.36 0.00 0.00 55.97 56.49 1ixy s LYS 180 Cb -0.41 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 1ixy s LYS 180 CO 0.32 0.33 0.11 0.25 -0.76 0.00 0.00 175.35 175.61 1ixy n THR 181 N 0.65 0.00 -3.99 2.17 -2.24 -0.50 -5.05 114.28 105.32 1ixy n THR 181 Ca 0.00 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1ixy n THR 181 Cb 0.50 1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.26 2.09 -0.11 3.22 1.43 -1.06 -5.02 118.68 118.97 1ixy s LEU 182 Ca 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1ixy s LEU 182 Cb 0.00 0.41 -0.25 0.00 0.03 0.00 0.00 46.19 46.39 1ixy s LEU 182 CO 0.00 -0.53 0.38 0.47 0.23 0.00 0.00 176.35 176.91 1ixy n ASP 183 N 0.60 1.70 -3.90 2.29 8.00 -0.56 -1.53 116.55 123.14 1ixy n ASP 183 Ca -0.18 0.23 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1ixy n ASP 183 Cb 0.59 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.56 0.09 0.03 2.53 1.01 -1.19 -1.23 120.40 119.08 1ixy s VAL 184 Ca -0.18 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1ixy s VAL 184 Cb 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1ixy s VAL 184 CO 0.77 -0.41 0.31 -0.51 0.00 0.00 0.00 175.10 175.27 1ixy s ILE 185 N -1.36 0.07 -0.17 2.22 2.07 -0.69 -2.46 121.20 120.88 1ixy s ILE 185 Ca -0.15 -0.62 -0.11 0.00 -1.41 0.00 0.00 60.65 58.37 1ixy s ILE 185 Cb -0.08 -0.85 0.05 0.00 0.13 0.00 0.00 42.46 41.71 1ixy s ILE 185 CO 0.01 -0.34 0.41 -0.47 -1.91 0.00 0.00 174.94 172.64 1ixy s TYR 186 N -2.21 -0.56 0.01 3.50 6.14 -0.75 -2.32 117.35 121.15 1ixy s TYR 186 Ca -0.07 1.24 0.07 0.00 0.64 0.00 0.00 57.07 58.95 1ixy s TYR 186 Cb -0.02 0.24 -0.03 0.00 0.42 0.00 0.00 41.96 42.57 1ixy s TYR 186 CO -0.01 -0.31 -0.20 0.20 0.64 0.00 0.00 175.55 175.87 1ixy s GLY 187 N 1.05 1.47 0.00 8.97 0.00 -1.26 -1.33 107.32 116.23 1ixy s GLY 187 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1ixy s GLY 187 CO -0.09 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.61 1ixy n GLY 188 N 1.91 -1.22 3.90 0.20 0.00 -0.89 -4.98 105.19 104.11 1ixy n GLY 188 Ca -0.16 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 1ixy n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ixy s SER 189 N -2.84 4.64 0.44 1.61 1.04 -1.26 -2.39 113.70 114.95 1ixy s SER 189 Ca 0.00 -1.23 0.30 0.00 0.48 0.00 0.00 55.95 55.50 1ixy s SER 189 Cb 0.00 0.37 1.22 0.00 0.10 0.00 0.00 66.02 67.71 1ixy s SER 189 CO 0.00 -1.08 1.88 0.15 0.98 0.00 0.00 173.24 175.17 1ixy h PHE 190 N 0.77 0.00 -6.84 5.02 3.57 -1.94 -3.44 116.94 114.08 1ixy h PHE 190 Ca -0.37 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.56 1ixy h PHE 190 Cb 1.30 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.82 1ixy h PHE 190 CO 0.96 0.00 -0.88 0.54 -2.23 0.00 0.00 178.31 176.70 1ixy n ARG 191 N -2.78 -2.39 -2.27 1.11 1.74 -1.26 -0.90 116.66 109.91 1ixy n ARG 191 Ca 0.01 0.29 -0.13 0.00 -0.77 0.00 0.00 57.85 57.25 1ixy n ARG 191 Cb 0.28 -4.72 -0.01 0.00 -1.02 0.00 0.00 32.46 26.99 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 -2.70 -4.07 0.00 0.55 7.64 -1.26 -1.82 113.62 111.96 1ixy n SER 192 Ca -0.04 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ixy n SER 192 Cb 0.54 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.25 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 -0.74 0.44 0.00 0.23 0.00 -0.08 -4.90 105.19 100.15 1ixy n GLY 193 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.35 0.00 -0.12 1.61 1.13 -0.75 -2.37 117.38 114.53 1ixy n GLN 194 Ca 0.00 0.33 0.01 0.00 -1.94 0.00 0.00 57.00 55.40 1ixy n GLN 194 Cb 0.08 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.94 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 -1.50 0.85 -0.34 -1.09 1.74 -1.26 -4.64 116.66 110.42 1ixy n ARG 195 Ca 0.02 -1.10 0.17 0.00 -0.77 0.00 0.00 57.85 56.18 1ixy n ARG 195 Cb 0.11 -0.74 0.38 0.00 -1.02 0.00 0.00 32.46 31.20 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 0.59 -0.38 5.56 4.81 -1.79 0.15 114.58 123.52 1ixy h GLU 196 Ca 0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1ixy h GLU 196 Cb 0.97 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1ixy h GLU 196 CO 0.00 0.39 -0.27 1.03 -0.73 0.00 0.00 179.01 179.43 1ixy h SER 197 N 0.61 0.82 0.46 1.04 0.87 -1.89 -1.84 113.55 113.61 1ixy h SER 197 Ca 0.62 -0.32 -0.21 0.00 -1.23 0.00 0.00 61.79 60.66 1ixy h SER 197 Cb 1.17 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1ixy h SER 197 CO -0.43 1.04 -0.90 0.11 -0.53 0.00 0.00 176.83 176.12 1ixy h LYS 198 N 0.68 0.30 -0.28 2.24 1.79 -1.21 -2.35 116.57 117.73 1ixy h LYS 198 Ca 0.08 -0.32 -0.09 0.00 -2.18 0.00 0.00 60.65 58.14 1ixy h LYS 198 Cb 0.80 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1ixy h LYS 198 CO 0.07 1.02 -0.18 0.52 -1.08 0.00 0.00 179.45 179.80 1ixy h MET 199 N 0.17 0.62 -0.39 3.15 2.86 -0.77 -1.93 114.93 118.64 1ixy h MET 199 Ca -0.06 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1ixy h MET 199 Cb 1.53 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1ixy h MET 199 CO 0.15 0.87 0.16 0.28 1.06 0.00 0.00 176.91 179.43 1ixy h VAL 200 N 0.35 1.20 0.13 -2.22 2.07 -1.39 0.89 116.25 117.28 1ixy h VAL 200 Ca 0.06 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ixy h VAL 200 Cb 0.71 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ixy h VAL 200 CO 0.05 0.22 -0.19 -0.08 0.02 0.00 0.00 177.57 177.58 1ixy h GLU 201 N 0.49 -0.37 0.00 1.57 4.57 -1.33 -2.26 114.58 117.25 1ixy h GLU 201 Ca 0.13 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1ixy h GLU 201 Cb 0.19 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1ixy h GLU 201 CO -0.01 -0.25 -0.77 1.19 -1.18 0.00 0.00 179.01 177.99 1ixy n PHE 202 N -5.32 0.16 0.00 0.92 3.72 -0.73 -4.22 117.46 111.99 1ixy n PHE 202 Ca -0.07 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1ixy n PHE 202 Cb 0.23 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.74 0.00 -4.82 4.37 4.77 0.30 -4.98 117.00 114.90 1ixy n LEU 203 Ca 0.04 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1ixy n LEU 203 Cb 0.38 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1ixy n LEU 203 CO 0.38 0.00 -0.22 -0.36 -1.33 0.00 0.00 177.39 175.86 1ixy s PHE 204 N -1.86 3.27 -1.54 -1.77 0.40 -0.85 -3.83 117.98 111.80 1ixy s PHE 204 Ca 0.00 0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.35 1ixy s PHE 204 Cb 0.00 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1ixy s PHE 204 CO 0.00 0.54 0.62 -0.25 0.70 0.00 0.00 175.22 176.83 1ixy n ASP 205 N 0.27 -1.97 -0.01 1.36 8.00 0.12 -4.75 116.55 119.57 1ixy n ASP 205 Ca -0.08 -0.99 0.08 0.00 0.71 0.00 0.00 54.79 54.51 1ixy n ASP 205 Cb 0.52 -3.01 -0.13 0.00 -0.02 0.00 0.00 41.12 38.47 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 -4.43 0.06 0.00 -3.53 -2.24 -1.26 -4.98 114.28 97.90 1ixy n THR 206 Ca -0.12 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1ixy n THR 206 Cb 0.59 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.55 2.15 3.96 3.38 0.00 -1.26 -5.01 105.19 109.94 1ixy n GLY 207 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 3.51 -0.73 0.99 1.43 -1.26 -5.02 118.68 117.59 1ixy s LEU 208 Ca 0.00 0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 1ixy s LEU 208 Cb 0.00 -3.10 0.08 0.00 0.03 0.00 0.00 46.19 43.20 1ixy s LEU 208 CO 0.00 -0.86 1.05 0.20 0.23 0.00 0.00 176.35 176.97 1ixy s ASN 209 N -4.29 6.27 0.08 2.29 0.01 -1.26 -5.01 114.94 113.03 1ixy s ASN 209 Ca 0.51 -1.15 0.05 0.00 -0.71 0.00 0.00 52.86 51.57 1ixy s ASN 209 Cb -0.10 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1ixy s ASN 209 CO 0.38 -1.42 -0.02 -0.63 -1.51 0.00 0.00 177.10 173.90 1ixy s ILE 210 N 4.04 3.89 -0.02 0.60 1.01 -1.26 -1.50 121.20 127.96 1ixy s ILE 210 Ca 0.26 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1ixy s ILE 210 Cb -0.13 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1ixy s ILE 210 CO 0.06 0.16 -0.08 -0.70 0.00 0.00 0.00 174.94 174.39 1ixy s GLU 211 N -2.16 0.80 -0.41 2.79 2.12 -1.03 -1.49 118.70 119.32 1ixy s GLU 211 Ca 0.24 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.34 1ixy s GLU 211 Cb -0.12 -0.76 0.11 0.00 0.26 0.00 0.00 34.13 33.62 1ixy s GLU 211 CO 0.16 0.11 0.14 0.12 -0.54 0.00 0.00 175.26 175.24 1ixy s PHE 212 N 0.14 3.40 0.66 5.30 2.19 -0.34 -1.82 117.98 127.51 1ixy s PHE 212 Ca -0.02 -3.00 -0.02 0.00 0.33 0.00 0.00 56.93 54.22 1ixy s PHE 212 Cb -0.07 -2.80 0.08 0.00 -1.31 0.00 0.00 43.02 38.92 1ixy s PHE 212 CO 0.00 -0.86 0.92 -0.59 1.83 0.00 0.00 175.22 176.52 1ixy s PHE 213 N 0.46 2.43 0.00 10.12 -0.71 -0.44 -2.80 117.98 127.05 1ixy s PHE 213 Ca 0.13 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 1ixy s PHE 213 Cb -0.22 -2.99 0.00 0.00 -1.21 0.00 0.00 43.02 38.60 1ixy s PHE 213 CO -0.05 -1.33 0.00 0.41 -1.34 0.00 0.00 175.22 172.90 1ixy n GLY 214 N -2.69 -0.26 0.15 1.99 0.00 -0.04 -2.10 105.19 102.23 1ixy n GLY 214 Ca 0.10 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 44.04 1ixy n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ixy n ASN 215 N 0.00 0.64 -4.76 1.61 3.02 -1.00 -2.49 115.26 112.27 1ixy n ASN 215 Ca 0.00 -0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 53.57 1ixy n ASN 215 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1ixy n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ixy s ALA 216 N -2.55 2.85 0.03 5.41 0.00 -1.19 -4.76 121.76 121.54 1ixy s ALA 216 Ca 0.25 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.34 1ixy s ALA 216 Cb 0.19 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1ixy s ALA 216 CO 0.51 -0.94 -0.23 1.03 0.00 0.00 0.00 175.76 176.13 1ixy s ARG 217 N -2.89 1.62 0.25 0.00 0.52 -1.26 -4.92 118.95 112.27 1ixy s ARG 217 Ca 0.69 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1ixy s ARG 217 Cb -0.32 -1.71 0.49 0.00 0.52 0.00 0.00 34.95 33.93 1ixy s ARG 217 CO 0.37 0.45 1.72 1.49 0.02 0.00 0.00 175.30 179.35 1ixy h GLU 218 N 5.01 0.42 0.00 3.54 4.81 -1.97 -1.26 114.58 125.13 1ixy h GLU 218 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ixy h GLU 218 Cb 1.15 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1ixy h GLU 218 CO 0.45 0.28 0.00 0.36 -0.73 0.00 0.00 179.01 179.36 1ixy n LYS 219 N -5.01 0.29 0.17 1.92 2.85 -1.26 -2.64 118.16 114.47 1ixy n LYS 219 Ca 0.15 0.09 0.12 0.00 -1.05 0.00 0.00 58.31 57.63 1ixy n LYS 219 Cb 0.44 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.52 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 -4.64 -1.58 4.20 -1.65 -3.39 115.11 108.05 1ixy h GLN 220 Ca 0.00 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.98 1ixy h GLN 220 Cb 0.08 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.66 1ixy h GLN 220 CO 0.00 0.00 0.87 -0.06 -0.67 0.00 0.00 178.83 178.97 1ixy s PHE 221 N -3.21 3.44 -0.00 2.96 0.40 -1.08 -4.68 117.98 115.81 1ixy s PHE 221 Ca 0.07 -1.83 0.00 0.00 -0.60 0.00 0.00 56.93 54.57 1ixy s PHE 221 Cb 0.08 -4.19 0.00 0.00 0.51 0.00 0.00 43.02 39.42 1ixy s PHE 221 CO 0.67 -1.34 0.87 0.36 0.70 0.00 0.00 175.22 176.48 1ixy n LYS 222 N 5.55 2.16 -2.33 0.44 2.85 -1.26 -4.96 118.16 120.61 1ixy n LYS 222 Ca 0.27 -1.25 -0.43 0.00 -1.05 0.00 0.00 58.31 55.85 1ixy n LYS 222 Cb 0.46 -0.87 -0.02 0.00 -0.65 0.00 0.00 35.03 33.94 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 -0.76 6.59 0.65 -5.58 3.84 -1.26 -4.87 114.94 113.55 1ixy s ASN 223 Ca 0.01 1.36 0.39 0.00 0.21 0.00 0.00 52.86 54.82 1ixy s ASN 223 Cb 0.00 -2.54 2.15 0.00 -0.55 0.00 0.00 41.25 40.32 1ixy s ASN 223 CO 0.00 -1.12 2.26 1.55 -2.79 0.00 0.00 177.10 177.00 1ixy h PRO 224 N 9.68 0.00 0.00 0.43 0.13 -2.00 -0.05 132.00 140.19 1ixy h PRO 224 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1ixy h PRO 224 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ixy h PRO 224 CO 1.02 0.00 -0.15 -0.22 -0.23 0.00 0.00 178.00 178.42 1ixy h LYS 225 N 0.00 0.00 -2.13 0.86 3.64 -2.03 -3.24 116.57 113.67 1ixy h LYS 225 Ca 0.01 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.84 1ixy h LYS 225 Cb 0.15 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.56 1ixy h LYS 225 CO -0.00 0.15 -0.90 0.66 -2.27 0.00 0.00 179.45 177.09 1ixy n TYR 226 N -3.52 1.97 -1.12 1.91 4.01 -0.03 -5.11 117.16 115.27 1ixy n TYR 226 Ca -0.01 -3.89 -0.32 0.00 -0.16 0.00 0.00 57.90 53.51 1ixy n TYR 226 Cb 0.30 -0.45 0.12 0.00 -0.31 0.00 0.00 39.34 39.00 1ixy n TYR 226 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ixy s PRO 227 N -2.63 1.74 0.18 -0.72 0.04 -1.22 -4.78 135.00 127.61 1ixy s PRO 227 Ca 0.42 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 1ixy s PRO 227 Cb 0.27 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 33.01 1ixy s PRO 227 CO -0.10 -2.09 0.38 1.67 0.04 0.00 0.00 177.00 176.90 1ixy s TRP 228 N -2.44 0.22 0.00 0.56 1.48 -1.26 -5.04 118.94 112.45 1ixy s TRP 228 Ca 0.68 -0.58 0.00 0.00 -1.06 0.00 0.00 56.10 55.15 1ixy s TRP 228 Cb -0.24 0.11 0.00 0.00 -1.16 0.00 0.00 33.47 32.18 1ixy s TRP 228 CO 0.52 -0.80 0.00 2.41 -4.06 0.00 0.00 176.95 175.02 1ixy n THR 229 N -0.27 0.00 -3.83 0.66 -1.04 -1.26 -5.01 114.28 103.53 1ixy n THR 229 Ca -0.08 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.57 1ixy n THR 229 Cb 0.63 -0.99 -0.13 0.00 -1.82 0.00 0.00 70.33 68.02 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 -1.95 2.82 0.31 -2.82 -0.14 -1.26 -5.02 119.74 111.68 1ixy s LYS 230 Ca 0.00 -1.02 -0.00 0.00 -1.36 0.00 0.00 55.97 53.59 1ixy s LYS 230 Cb 0.00 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1ixy s LYS 230 CO 0.00 -0.51 0.51 0.00 -0.76 0.00 0.00 175.35 174.60 1ixy s ALA 231 N 1.39 3.72 1.04 5.17 0.00 -1.26 0.14 121.76 131.95 1ixy s ALA 231 Ca -0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1ixy s ALA 231 Cb -0.18 -2.10 0.21 0.00 0.00 0.00 0.00 23.12 21.05 1ixy s ALA 231 CO 0.00 0.11 1.19 -1.25 0.00 0.00 0.00 175.76 175.81 1ixy s PRO 232 N -4.02 0.10 -0.33 0.00 0.04 -1.25 -4.91 135.00 124.64 1ixy s PRO 232 Ca 0.40 -0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.09 1ixy s PRO 232 Cb -0.10 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1ixy s PRO 232 CO 0.34 -2.83 1.06 0.08 0.04 0.00 0.00 177.00 175.68 1ixy s VAL 233 N -3.37 4.51 -0.41 -0.36 1.01 -0.56 -4.85 120.40 116.36 1ixy s VAL 233 Ca 0.70 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 64.10 1ixy s VAL 233 Cb -0.09 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1ixy s VAL 233 CO 0.54 -0.51 0.75 -0.36 0.00 0.00 0.00 175.10 175.52 1ixy s PHE 234 N 3.67 3.06 0.17 5.22 0.40 -1.26 -1.19 117.98 128.04 1ixy s PHE 234 Ca 0.45 0.29 0.08 0.00 -0.60 0.00 0.00 56.93 57.14 1ixy s PHE 234 Cb -0.12 -3.48 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 1ixy s PHE 234 CO 0.16 -0.85 -0.02 0.95 0.70 0.00 0.00 175.22 176.16 1ixy s THR 235 N 3.11 3.62 0.00 0.64 -4.23 -1.12 -5.00 115.64 112.66 1ixy s THR 235 Ca 0.29 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1ixy s THR 235 Cb -0.13 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1ixy s THR 235 CO 0.20 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1ixy n GLY 236 N -0.05 -2.16 3.88 3.99 0.00 -1.26 -3.20 105.19 106.39 1ixy n GLY 236 Ca -0.10 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.09 3.68 0.10 1.61 -2.85 -1.04 -0.86 119.74 120.29 1ixy s LYS 237 Ca 0.00 0.48 0.03 0.00 -1.00 0.00 0.00 55.97 55.48 1ixy s LYS 237 Cb 0.00 -2.30 -0.04 0.00 -2.06 0.00 0.00 37.83 33.43 1ixy s LYS 237 CO 0.00 -0.22 -0.08 0.96 0.10 0.00 0.00 175.35 176.11 1ixy s ILE 238 N -2.68 0.83 0.51 3.79 -4.36 -1.26 -4.87 121.20 113.16 1ixy s ILE 238 Ca 0.51 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.86 1ixy s ILE 238 Cb -0.10 -1.56 -0.08 0.00 1.25 0.00 0.00 42.46 41.97 1ixy s ILE 238 CO 0.40 -0.74 1.05 -2.65 0.24 0.00 0.00 174.94 173.24 1ixy n PRO 239 N 0.17 1.27 0.01 0.37 -0.02 -1.26 -4.87 135.00 130.67 1ixy n PRO 239 Ca -0.13 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 1ixy n PRO 239 Cb 0.60 -2.19 0.39 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.17 0.52 0.00 -0.52 4.05 -1.88 -1.87 114.93 116.40 1ixy h MET 240 Ca -0.47 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1ixy h MET 240 Cb 1.34 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1ixy h MET 240 CO 0.55 0.41 0.00 0.27 0.23 0.00 0.00 176.91 178.36 1ixy n ASN 241 N -4.41 0.00 -0.00 1.39 6.94 -1.26 -2.55 115.26 115.37 1ixy n ASN 241 Ca 0.02 0.11 0.03 0.00 -0.02 0.00 0.00 54.58 54.72 1ixy n ASN 241 Cb 0.12 -0.27 -0.04 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.27 4.18 -0.40 -3.83 2.81 -0.71 -4.80 117.12 113.11 1ixy n MET 242 Ca 0.05 -0.01 -0.07 0.00 -1.81 0.00 0.00 57.70 55.86 1ixy n MET 242 Cb 0.08 -0.87 -0.05 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.00 0.00 -0.40 2.03 2.07 -1.45 0.26 116.25 118.76 1ixy h VAL 243 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1ixy h VAL 243 Cb 0.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1ixy h VAL 243 CO 0.00 0.00 0.28 0.28 0.02 0.00 0.00 177.57 178.15 1ixy h SER 244 N -0.01 0.08 0.53 0.57 0.02 -1.83 0.16 113.55 113.06 1ixy h SER 244 Ca 0.23 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.00 1ixy h SER 244 Cb 0.49 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1ixy h SER 244 CO -0.94 0.05 -0.78 -0.33 -1.14 0.00 0.00 176.83 173.68 1ixy h GLU 245 N 0.08 0.19 -0.14 3.45 4.39 -0.87 -2.79 114.58 118.89 1ixy h GLU 245 Ca 0.19 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1ixy h GLU 245 Cb 0.64 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1ixy h GLU 245 CO -0.02 0.88 0.03 -0.22 -1.16 0.00 0.00 179.01 178.52 1ixy h LYS 246 N 0.12 0.22 -0.84 2.33 1.63 0.48 -2.76 116.57 117.74 1ixy h LYS 246 Ca -0.03 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1ixy h LYS 246 Cb 1.37 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.91 1ixy h LYS 246 CO 0.12 0.38 0.55 -0.91 -3.45 0.00 0.00 179.45 176.14 1ixy h ASN 247 N 0.02 0.82 0.00 4.20 2.35 -1.12 -1.63 115.58 120.22 1ixy h ASN 247 Ca 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1ixy h ASN 247 Cb 0.26 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1ixy h ASN 247 CO 0.00 0.53 0.03 -1.20 -1.65 0.00 0.00 177.43 175.14 1ixy n SER 248 N -4.49 0.00 0.19 5.81 7.64 -1.04 -1.18 113.62 120.56 1ixy n SER 248 Ca 0.13 0.37 0.13 0.00 1.01 0.00 0.00 58.87 60.51 1ixy n SER 248 Cb 0.21 -0.37 0.31 0.00 -1.01 0.00 0.00 64.21 63.35 1ixy n SER 248 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ixy h GLN 249 N 0.00 0.00 -6.15 1.43 4.20 -1.36 -3.43 115.11 109.79 1ixy h GLN 249 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1ixy h GLN 249 Cb 0.07 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1ixy h GLN 249 CO 0.00 0.00 -0.53 0.00 -0.67 0.00 0.00 178.83 177.63 1ixy s ALA 250 N -3.25 3.56 0.21 3.87 0.00 -0.33 -1.42 121.76 124.40 1ixy s ALA 250 Ca 0.07 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.29 1ixy s ALA 250 Cb 0.08 -0.94 0.16 0.00 0.00 0.00 0.00 23.12 22.41 1ixy s ALA 250 CO 0.62 0.09 1.59 0.82 0.00 0.00 0.00 175.76 178.89 1ixy h ILE 251 N 1.51 1.28 -4.14 0.00 1.08 -1.16 -3.38 117.51 112.70 1ixy h ILE 251 Ca -0.45 -1.44 -0.15 0.00 -0.39 0.00 0.00 64.86 62.43 1ixy h ILE 251 Cb 1.25 1.34 -0.15 0.00 -3.07 0.00 0.00 36.82 36.20 1ixy h ILE 251 CO 0.61 0.47 -0.68 0.00 -0.69 0.00 0.00 178.15 177.86 1ixy s ALA 252 N -4.46 0.65 -0.04 1.87 0.00 -0.36 -0.84 121.76 118.58 1ixy s ALA 252 Ca -0.09 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1ixy s ALA 252 Cb 0.12 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1ixy s ALA 252 CO 0.84 -0.34 -0.04 0.00 0.00 0.00 0.00 175.76 176.22 1ixy s ALA 253 N -3.85 0.65 0.30 0.00 0.00 -0.72 -1.71 121.76 116.43 1ixy s ALA 253 Ca 0.09 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.73 1ixy s ALA 253 Cb 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 1ixy s ALA 253 CO -0.08 -0.04 0.96 -1.17 0.00 0.00 0.00 175.76 175.42 1ixy s LEU 254 N 0.97 4.44 -0.25 0.00 2.96 -0.98 -1.62 118.68 124.20 1ixy s LEU 254 Ca -0.10 1.90 0.02 0.00 -0.22 0.00 0.00 54.13 55.73 1ixy s LEU 254 Cb -0.14 -3.87 0.05 0.00 0.50 0.00 0.00 46.19 42.72 1ixy s LEU 254 CO -0.00 -0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.27 1ixy s ILE 255 N -1.45 2.33 0.07 6.68 -1.09 0.15 -4.91 121.20 122.98 1ixy s ILE 255 Ca 0.47 -1.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 1ixy s ILE 255 Cb -0.22 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1ixy s ILE 255 CO 0.27 0.08 -0.06 0.27 -1.23 0.00 0.00 174.94 174.28 1ixy s ILE 256 N 1.17 0.53 0.24 2.92 -4.36 -1.26 -0.88 121.20 119.56 1ixy s ILE 256 Ca -0.05 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 1ixy s ILE 256 Cb -0.18 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 1ixy s ILE 256 CO -0.06 -0.79 0.25 0.61 0.24 0.00 0.00 174.94 175.19 1ixy n GLY 257 N 0.35 2.94 1.80 6.27 0.00 -1.26 -5.07 105.19 110.21 1ixy n GLY 257 Ca -0.15 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1ixy n GLY 257 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ixy n ASP 258 N -1.97 -0.02 -0.19 1.61 8.00 -1.26 -4.85 116.55 117.87 1ixy n ASP 258 Ca 0.04 -1.21 -0.05 0.00 0.71 0.00 0.00 54.79 54.28 1ixy n ASP 258 Cb 0.42 -0.48 0.12 0.00 -0.02 0.00 0.00 41.12 41.16 1ixy n ASP 258 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ixy h LYS 259 N 0.00 0.97 -0.93 -1.24 3.64 -2.00 -3.05 116.57 113.97 1ixy h LYS 259 Ca -0.20 -0.23 -0.37 0.00 -1.27 0.00 0.00 60.65 58.58 1ixy h LYS 259 Cb 0.56 -0.13 -0.22 0.00 -0.41 0.00 0.00 32.23 32.03 1ixy h LYS 259 CO 0.14 0.88 0.47 0.09 -2.27 0.00 0.00 179.45 178.76 1ixy n ASN 260 N -4.24 3.98 -0.00 4.20 5.03 -1.26 -3.57 115.26 119.40 1ixy n ASN 260 Ca 0.04 -3.31 0.04 0.00 0.87 0.00 0.00 54.58 52.23 1ixy n ASN 260 Cb 0.26 -0.77 -0.06 0.00 -1.02 0.00 0.00 39.78 38.19 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 -0.66 0.00 -2.12 3.10 4.02 -1.15 -4.62 117.16 115.73 1ixy n TYR 261 Ca 0.47 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.94 1ixy n TYR 261 Cb 1.46 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 40.62 1ixy n TYR 261 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1ixy s ASN 262 N -2.57 6.76 -1.49 7.72 0.01 -1.23 -1.84 114.94 122.29 1ixy s ASN 262 Ca -0.01 2.17 -0.08 0.00 -0.71 0.00 0.00 52.86 54.23 1ixy s ASN 262 Cb 0.06 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.23 1ixy s ASN 262 CO 0.35 -0.83 0.72 0.47 -1.51 0.00 0.00 177.10 176.31 1ixy n ASP 263 N 6.20 -2.46 0.00 -1.22 8.00 -0.42 -4.69 116.55 121.96 1ixy n ASP 263 Ca 0.15 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1ixy n ASP 263 Cb 0.43 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 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 -2.89 0.00 -4.69 -2.24 5.15 -1.17 -4.97 115.26 104.46 1ixy n ASN 264 Ca -0.12 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.55 1ixy n ASN 264 Cb 0.60 0.28 -0.08 0.00 -0.53 0.00 0.00 39.78 40.05 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 -1.74 3.03 -0.46 1.20 0.40 -0.77 -3.15 117.98 116.49 1ixy s PHE 265 Ca 0.00 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1ixy s PHE 265 Cb 0.00 -1.58 0.14 0.00 0.51 0.00 0.00 43.02 42.08 1ixy s PHE 265 CO 0.00 0.48 0.25 0.42 0.70 0.00 0.00 175.22 177.07 1ixy s ILE 266 N -1.25 1.55 1.01 0.64 -1.09 -1.26 -4.82 121.20 115.98 1ixy s ILE 266 Ca 0.24 -2.70 -0.12 0.00 -2.23 0.00 0.00 60.65 55.84 1ixy s ILE 266 Cb -0.12 -2.08 0.19 0.00 -1.58 0.00 0.00 42.46 38.88 1ixy s ILE 266 CO 0.16 -0.90 1.08 0.42 -1.23 0.00 0.00 174.94 174.47 1ixy s THR 267 N 0.21 2.23 0.20 2.92 -4.23 -1.26 -4.85 115.64 110.86 1ixy s THR 267 Ca 0.18 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 1ixy s THR 267 Cb -0.23 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.33 1ixy s THR 267 CO -0.01 -0.10 1.87 0.25 -0.54 0.00 0.00 174.62 176.09 1ixy h LEU 268 N -1.99 0.81 -1.79 4.79 5.85 -1.97 -2.30 115.31 118.71 1ixy h LEU 268 Ca -0.54 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.22 1ixy h LEU 268 Cb 1.31 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1ixy h LEU 268 CO 0.54 0.58 0.25 0.08 -0.34 0.00 0.00 178.44 179.55 1ixy h ARG 269 N 0.96 0.25 -0.55 1.25 0.11 -1.93 0.75 114.38 115.22 1ixy h ARG 269 Ca 0.26 -0.02 0.08 0.00 0.10 0.00 0.00 59.98 60.41 1ixy h ARG 269 Cb -0.10 -0.06 -0.06 0.00 1.11 0.00 0.00 29.97 30.86 1ixy h ARG 269 CO -0.06 0.17 0.20 0.28 0.10 0.00 0.00 179.97 180.66 1ixy h VAL 270 N 0.26 0.80 -0.07 0.08 2.07 -1.77 1.04 116.25 118.66 1ixy h VAL 270 Ca 0.16 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.36 1ixy h VAL 270 Cb 0.32 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1ixy h VAL 270 CO -0.03 0.07 -0.75 -0.50 0.02 0.00 0.00 177.57 176.38 1ixy h TRP 271 N 0.38 0.52 -0.35 1.57 -0.00 -1.01 -0.23 115.95 116.83 1ixy h TRP 271 Ca 0.27 -0.24 -0.11 0.00 -0.00 0.00 0.00 58.89 58.81 1ixy h TRP 271 Cb 0.31 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1ixy h TRP 271 CO -0.17 1.00 -0.25 0.93 -0.00 0.00 0.00 178.44 179.96 1ixy h GLU 272 N 0.26 0.71 0.16 0.49 5.08 0.07 -0.51 114.58 120.83 1ixy h GLU 272 Ca -0.03 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1ixy h GLU 272 Cb 1.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ixy h GLU 272 CO 0.13 0.89 -0.07 1.15 -1.00 0.00 0.00 179.01 180.10 1ixy h THR 273 N 0.62 0.86 -0.37 1.13 2.02 0.11 -2.90 112.91 114.38 1ixy h THR 273 Ca 0.08 -1.14 0.11 0.00 0.77 0.00 0.00 66.41 66.23 1ixy h THR 273 Cb 0.74 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1ixy h THR 273 CO 0.06 0.22 0.30 -0.03 0.37 0.00 0.00 175.52 176.45 1ixy h MET 274 N -0.86 0.00 0.00 6.66 -1.53 -1.02 -0.94 114.93 117.24 1ixy h MET 274 Ca -0.02 0.00 -0.16 0.00 -3.44 0.00 0.00 59.70 56.08 1ixy h MET 274 Cb 0.53 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 1ixy h MET 274 CO 0.04 0.00 -0.76 0.00 0.14 0.00 0.00 176.91 176.32 1ixy h ALA 275 N 1.74 0.53 -2.08 0.39 0.00 -1.11 -3.39 119.26 115.34 1ixy h ALA 275 Ca 0.18 -0.68 -0.42 0.00 0.00 0.00 0.00 54.91 53.98 1ixy h ALA 275 Cb 0.78 -0.10 0.19 0.00 0.00 0.00 0.00 17.79 18.66 1ixy h ALA 275 CO -0.00 0.93 0.14 -1.54 0.00 0.00 0.00 179.25 178.77 1ixy s SER 276 N -6.55 1.18 -0.04 0.00 1.04 -0.36 -2.08 113.70 106.89 1ixy s SER 276 Ca 0.02 0.73 0.09 0.00 0.48 0.00 0.00 55.95 57.28 1ixy s SER 276 Cb 0.09 -1.06 0.34 0.00 0.10 0.00 0.00 66.02 65.49 1ixy s SER 276 CO 0.78 -3.97 1.20 -0.67 0.98 0.00 0.00 173.24 171.55 1ixy n ASP 277 N -4.67 2.42 -4.55 7.02 2.03 -1.26 -4.73 116.55 112.80 1ixy n ASP 277 Ca 0.12 -2.17 -0.35 0.00 0.52 0.00 0.00 54.79 52.90 1ixy n ASP 277 Cb 0.59 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.65 3.27 0.03 -1.67 0.00 -1.26 -4.88 121.76 115.61 1ixy s ALA 278 Ca 0.25 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1ixy s ALA 278 Cb 0.15 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 1ixy s ALA 278 CO 0.13 -0.04 1.97 0.28 0.00 0.00 0.00 175.76 178.10 1ixy n VAL 279 N 3.99 0.75 -2.52 0.00 0.31 -0.02 -4.60 118.33 116.25 1ixy n VAL 279 Ca -0.16 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.61 1ixy n VAL 279 Cb 0.52 -2.29 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 1ixy n VAL 279 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1ixy s MET 280 N 4.39 4.36 -0.20 5.55 0.00 -1.26 -1.76 119.30 130.37 1ixy s MET 280 Ca 0.89 1.60 0.02 0.00 0.00 0.00 0.00 55.69 58.19 1ixy s MET 280 Cb -0.45 -3.57 0.03 0.00 0.00 0.00 0.00 34.83 30.84 1ixy s MET 280 CO 0.43 -0.44 -0.16 -0.51 0.00 0.00 0.00 175.02 174.33 1ixy s LEU 281 N 2.30 2.51 -0.16 4.11 1.43 -0.64 -4.78 118.68 123.45 1ixy s LEU 281 Ca 0.54 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1ixy s LEU 281 Cb -0.23 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1ixy s LEU 281 CO 0.20 -0.07 0.13 -0.63 0.23 0.00 0.00 176.35 176.21 1ixy s ILE 282 N 1.25 5.45 0.14 -0.59 1.09 -0.09 -0.68 121.20 127.78 1ixy s ILE 282 Ca 0.00 0.19 -0.31 0.00 -1.10 0.00 0.00 60.65 59.44 1ixy s ILE 282 Cb -0.15 -3.43 -0.10 0.00 -1.06 0.00 0.00 42.46 37.72 1ixy s ILE 282 CO -0.10 0.53 1.68 -0.62 -0.10 0.00 0.00 174.94 176.32 1ixy s ASP 283 N -0.31 6.51 0.19 3.58 2.15 -0.06 -2.14 116.67 126.59 1ixy s ASP 283 Ca 0.11 2.67 -0.19 0.00 0.43 0.00 0.00 52.55 55.58 1ixy s ASP 283 Cb -0.11 -2.58 0.15 0.00 -0.30 0.00 0.00 42.92 40.08 1ixy s ASP 283 CO 0.01 -0.91 1.59 -0.08 -0.17 0.00 0.00 175.17 175.61 1ixy h GLU 284 N 7.51 -0.13 -0.79 4.34 4.57 -1.56 -0.43 114.58 128.10 1ixy h GLU 284 Ca -0.43 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 57.94 1ixy h GLU 284 Cb 1.21 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.78 1ixy h GLU 284 CO 0.93 -0.08 0.54 0.93 -1.18 0.00 0.00 179.01 180.15 1ixy h GLU 285 N -0.13 0.28 -0.26 1.92 5.08 -1.89 -0.73 114.58 118.84 1ixy h GLU 285 Ca 0.25 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1ixy h GLU 285 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ixy h GLU 285 CO -0.69 0.19 -0.03 0.35 -1.00 0.00 0.00 179.01 177.83 1ixy h PHE 286 N 0.29 0.41 -1.59 4.33 3.57 -1.43 -3.36 116.94 119.17 1ixy h PHE 286 Ca 0.39 -0.04 -0.45 0.00 3.53 0.00 0.00 57.97 61.40 1ixy h PHE 286 Cb 1.10 -0.12 -0.31 0.00 2.79 0.00 0.00 35.95 39.41 1ixy h PHE 286 CO -0.00 0.44 -0.88 -3.47 -2.23 0.00 0.00 178.31 172.17 1ixy n ASP 287 N -4.30 -1.04 0.00 0.41 2.03 -0.36 -1.31 116.55 111.98 1ixy n ASP 287 Ca 0.01 -2.75 0.02 0.00 0.52 0.00 0.00 54.79 52.58 1ixy n ASP 287 Cb 0.24 0.15 0.07 0.00 -0.72 0.00 0.00 41.12 40.86 1ixy n ASP 287 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ixy n THR 288 N 2.02 1.65 0.19 5.18 -2.24 -0.75 -1.39 114.28 118.94 1ixy n THR 288 Ca 0.21 0.41 0.04 0.00 -2.27 0.00 0.00 64.05 62.44 1ixy n THR 288 Cb 0.54 -1.36 0.06 0.00 -2.10 0.00 0.00 70.33 67.47 1ixy n THR 288 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ixy n LYS 289 N -1.46 1.01 -3.44 -0.78 4.76 -1.26 -4.98 118.16 111.99 1ixy n LYS 289 Ca 0.01 -1.28 -0.25 0.00 -2.87 0.00 0.00 58.31 53.93 1ixy n LYS 289 Cb 0.03 -1.17 0.05 0.00 -1.84 0.00 0.00 35.03 32.10 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 0.39 -2.37 0.29 2.13 8.25 -0.49 -4.88 115.22 118.55 1ixy n HIS 290 Ca 0.06 0.78 0.15 0.00 -0.26 0.00 0.00 57.72 58.45 1ixy n HIS 290 Cb 0.26 -4.46 0.89 0.00 1.12 0.00 0.00 29.99 27.80 1ixy n HIS 290 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ixy h ARG 291 N -1.98 0.00 0.02 -0.41 2.43 -1.94 -3.06 114.38 109.44 1ixy h ARG 291 Ca -0.55 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1ixy h ARG 291 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1ixy h ARG 291 CO 0.58 0.03 -0.01 0.82 -1.51 0.00 0.00 179.97 179.88 1ixy h ILE 292 N 0.00 1.38 -3.61 1.20 2.04 -1.92 -3.45 117.51 113.14 1ixy h ILE 292 Ca -0.00 -1.27 -0.25 0.00 1.00 0.00 0.00 64.86 64.34 1ixy h ILE 292 Cb 0.08 2.22 -0.30 0.00 -0.74 0.00 0.00 36.82 38.08 1ixy h ILE 292 CO 0.00 0.32 -0.70 -0.63 0.00 0.00 0.00 178.15 177.15 1ixy s ILE 293 N -3.96 -0.02 -0.23 -0.67 1.01 -1.15 -5.04 121.20 111.14 1ixy s ILE 293 Ca -0.16 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1ixy s ILE 293 Cb 0.01 -0.06 -0.12 0.00 0.01 0.00 0.00 42.46 42.30 1ixy s ILE 293 CO 0.66 0.03 3.23 0.59 0.00 0.00 0.00 174.94 179.45 1ixy n ASN 294 N 3.44 5.84 -3.49 3.58 5.03 -1.25 -4.73 115.26 123.67 1ixy n ASN 294 Ca -0.17 -2.81 -0.20 0.00 0.87 0.00 0.00 54.58 52.27 1ixy n ASN 294 Cb 0.57 -1.34 -0.13 0.00 -1.02 0.00 0.00 39.78 37.86 1ixy n ASN 294 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ixy s ASP 295 N 1.26 1.65 0.65 6.41 -1.08 -1.26 -5.03 116.67 119.26 1ixy s ASP 295 Ca 0.63 -0.40 0.38 0.00 -0.52 0.00 0.00 52.55 52.65 1ixy s ASP 295 Cb 0.35 0.29 2.06 0.00 -1.46 0.00 0.00 42.92 44.16 1ixy s ASP 295 CO -0.10 -0.34 2.16 0.00 0.52 0.00 0.00 175.17 177.41 1ixy h ALA 296 N 8.32 1.12 0.00 3.66 0.00 -1.96 -2.00 119.26 128.41 1ixy h ALA 296 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ixy h ALA 296 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ixy h ALA 296 CO 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.42 1ixy h ARG 297 N 0.00 0.00 -0.01 0.00 3.08 -1.97 -1.59 114.38 113.89 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ixy h ARG 297 CO 0.00 0.00 -0.01 1.19 -1.07 0.00 0.00 179.97 180.08 1ixy n PHE 298 N -3.11 0.00 -5.03 3.04 3.01 -0.75 -4.88 117.46 109.74 1ixy n PHE 298 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.12 1ixy n PHE 298 Cb 0.15 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.03 2.59 -0.04 1.38 1.51 -0.60 -0.91 117.35 119.25 1ixy s TYR 299 Ca 0.40 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1ixy s TYR 299 Cb 0.21 -1.62 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1ixy s TYR 299 CO 0.35 0.02 -0.16 0.14 -1.11 0.00 0.00 175.55 174.79 1ixy s VAL 300 N -0.47 1.37 -0.00 0.71 -7.23 -0.91 -4.93 120.40 108.94 1ixy s VAL 300 Ca 0.06 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 59.66 1ixy s VAL 300 Cb -0.12 -1.19 -0.22 0.00 0.56 0.00 0.00 36.38 35.41 1ixy s VAL 300 CO 0.01 0.40 0.83 0.78 -0.31 0.00 0.00 175.10 176.81 1ixy h ASN 301 N 6.31 0.00 -2.52 4.85 2.35 -1.93 -1.29 115.58 123.35 1ixy h ASN 301 Ca -0.32 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.44 1ixy h ASN 301 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 1ixy h ASN 301 CO 0.48 1.00 0.30 -0.46 -1.65 0.00 0.00 177.43 177.09 1ixy n ASN 302 N -3.12 -1.78 -0.05 5.81 0.23 -1.26 -4.86 115.26 110.23 1ixy n ASN 302 Ca -0.12 -2.16 -0.12 0.00 -0.53 0.00 0.00 54.58 51.64 1ixy n ASN 302 Cb 1.02 2.95 -0.06 0.00 -2.08 0.00 0.00 39.78 41.61 1ixy n ASN 302 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1ixy h ARG 303 N 0.00 -0.42 -0.93 -3.83 2.43 -1.97 0.11 114.38 109.77 1ixy h ARG 303 Ca -0.26 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.11 1ixy h ARG 303 Cb 1.01 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.56 1ixy h ARG 303 CO 0.34 -0.28 0.51 0.00 -1.51 0.00 0.00 179.97 179.03 1ixy h ALA 304 N 0.16 1.48 -0.28 2.80 0.00 -1.97 0.17 119.26 121.63 1ixy h ALA 304 Ca 0.09 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1ixy h ALA 304 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ixy h ALA 304 CO -0.48 -0.11 -0.53 1.49 0.00 0.00 0.00 179.25 179.62 1ixy h GLU 305 N 0.66 0.86 -0.60 0.00 4.81 -1.66 -0.36 114.58 118.29 1ixy h GLU 305 Ca 0.53 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1ixy h GLU 305 Cb 0.82 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1ixy h GLU 305 CO -0.40 1.18 0.25 1.25 -0.73 0.00 0.00 179.01 180.57 1ixy h LEU 306 N 0.64 0.81 -0.67 1.64 5.85 0.10 0.15 115.31 123.82 1ixy h LEU 306 Ca 0.01 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1ixy h LEU 306 Cb 1.14 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1ixy h LEU 306 CO 0.12 0.75 0.09 0.40 -0.34 0.00 0.00 178.44 179.45 1ixy h ILE 307 N 0.82 1.26 0.14 4.05 2.04 -0.58 -0.55 117.51 124.70 1ixy h ILE 307 Ca 0.20 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1ixy h ILE 307 Cb 0.18 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1ixy h ILE 307 CO -0.02 0.40 -0.07 0.44 0.00 0.00 0.00 178.15 178.90 1ixy h ASP 308 N 1.04 -0.16 -0.55 1.72 3.32 -0.73 -2.48 116.42 118.57 1ixy h ASP 308 Ca 0.20 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1ixy h ASP 308 Cb 0.47 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1ixy h ASP 308 CO 0.02 0.11 0.36 -0.09 -1.72 0.00 0.00 179.24 177.92 1ixy h ARG 309 N -0.44 0.67 -0.18 3.56 9.65 -0.88 -0.15 114.38 126.61 1ixy h ARG 309 Ca -0.02 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.70 1ixy h ARG 309 Cb 0.35 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1ixy h ARG 309 CO 0.03 0.45 -0.34 0.28 2.80 0.00 0.00 179.97 183.18 1ixy h VAL 310 N 0.69 1.34 -0.26 0.20 2.07 -1.07 -2.42 116.25 116.79 1ixy h VAL 310 Ca 0.21 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 1ixy h VAL 310 Cb -0.00 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1ixy h VAL 310 CO -0.05 0.48 -0.03 0.78 0.02 0.00 0.00 177.57 178.77 1ixy h ASN 311 N 0.21 0.38 1.66 0.57 2.35 -0.97 -1.15 115.58 118.63 1ixy h ASN 311 Ca 0.01 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ixy h ASN 311 Cb 0.94 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1ixy h ASN 311 CO 0.08 0.46 0.00 1.05 -1.65 0.00 0.00 177.43 177.37 1ixy h GLU 312 N 0.39 0.00 0.05 0.81 4.11 -0.99 -1.73 114.58 117.22 1ixy h GLU 312 Ca 0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.28 1ixy h GLU 312 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ixy h GLU 312 CO 0.01 0.00 -1.05 -0.07 0.07 0.00 0.00 179.01 177.97 1ixy h LEU 313 N 0.00 0.29 0.14 3.06 3.38 -0.73 -3.02 115.31 118.44 1ixy h LEU 313 Ca 0.00 -0.28 -0.30 0.00 0.09 0.00 0.00 57.88 57.39 1ixy h LEU 313 Cb 0.83 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 41.52 1ixy h LEU 313 CO 0.00 1.16 -1.30 0.11 0.09 0.00 0.00 178.44 178.50 1ixy h LYS 314 N 0.08 0.53 0.00 1.13 1.57 -1.26 -3.23 116.57 115.38 1ixy h LYS 314 Ca -0.08 -0.78 -0.00 0.00 -1.87 0.00 0.00 60.65 57.93 1ixy h LYS 314 Cb 1.75 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 34.34 1ixy h LYS 314 CO 0.16 1.36 -0.00 1.25 -0.57 0.00 0.00 179.45 181.65 1ixy h HIS 315 N 0.20 0.00 -2.59 -1.35 2.76 -1.37 -3.40 115.15 109.40 1ixy h HIS 315 Ca -0.19 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.71 1ixy h HIS 315 Cb 1.99 0.00 -0.34 0.00 1.55 0.00 0.00 27.41 30.61 1ixy h HIS 315 CO 0.11 0.00 -0.58 0.45 -1.30 0.00 0.00 177.93 176.61 1ixy s SER 316 N -5.24 0.85 0.40 3.26 0.15 -1.14 -5.00 113.70 106.98 1ixy s SER 316 Ca -0.04 0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.97 1ixy s SER 316 Cb 0.13 0.58 0.71 0.00 -1.71 0.00 0.00 66.02 65.72 1ixy s SER 316 CO 0.43 -0.29 1.73 0.44 1.20 0.00 0.00 173.24 176.75 1ixy h ASP 317 N 8.29 0.00 -0.32 5.45 5.19 -1.79 -2.53 116.42 130.71 1ixy h ASP 317 Ca -0.16 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.17 1ixy h ASP 317 Cb 1.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1ixy h ASP 317 CO 0.22 0.29 -0.07 0.58 -3.12 0.00 0.00 179.24 177.14 1ixy h VAL 318 N 0.00 1.25 -0.03 -1.35 2.07 -1.94 0.40 116.25 116.64 1ixy h VAL 318 Ca -0.00 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1ixy h VAL 318 Cb 0.89 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1ixy h VAL 318 CO 0.04 0.37 -0.04 0.25 0.02 0.00 0.00 177.57 178.20 1ixy h LEU 319 N 0.66 0.09 -0.35 2.57 5.85 -1.86 -0.97 115.31 121.30 1ixy h LEU 319 Ca 0.12 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ixy h LEU 319 Cb 0.52 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1ixy h LEU 319 CO 0.03 0.61 0.19 -0.09 -0.34 0.00 0.00 178.44 178.84 1ixy h ARG 320 N -0.43 0.49 -0.76 1.25 2.43 -1.36 -0.24 114.38 115.76 1ixy h ARG 320 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1ixy h ARG 320 Cb 0.59 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1ixy h ARG 320 CO 0.01 0.40 0.30 0.87 -1.51 0.00 0.00 179.97 180.04 1ixy h LYS 321 N 0.45 1.14 0.48 0.20 1.79 -0.97 -0.36 116.57 119.30 1ixy h LYS 321 Ca 0.12 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1ixy h LYS 321 Cb 0.06 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1ixy h LYS 321 CO -0.02 0.93 -0.23 1.49 -1.08 0.00 0.00 179.45 180.54 1ixy h GLU 322 N 1.10 -0.62 -0.14 3.15 4.81 -0.76 -0.12 114.58 122.01 1ixy h GLU 322 Ca 0.25 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1ixy h GLU 322 Cb 0.22 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1ixy h GLU 322 CO -0.02 -0.38 0.09 0.52 -0.73 0.00 0.00 179.01 178.49 1ixy h MET 323 N -0.71 0.18 0.00 1.92 2.86 -0.91 0.07 114.93 118.34 1ixy h MET 323 Ca -0.07 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1ixy h MET 323 Cb 0.53 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1ixy h MET 323 CO 0.11 0.13 -0.60 -0.07 1.06 0.00 0.00 176.91 177.54 1ixy h LEU 324 N 0.19 0.00 -0.19 1.22 3.38 -0.80 -2.60 115.31 116.51 1ixy h LEU 324 Ca 0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1ixy h LEU 324 Cb -0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ixy h LEU 324 CO -0.01 0.60 -0.82 -1.28 0.09 0.00 0.00 178.44 177.02 1ixy h SER 325 N 0.00 0.82 0.56 -0.43 0.87 0.62 -2.90 113.55 113.09 1ixy h SER 325 Ca -0.01 -0.56 -0.03 0.00 -1.23 0.00 0.00 61.79 59.96 1ixy h SER 325 Cb 1.26 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1ixy h SER 325 CO 0.08 1.35 -0.27 0.40 -0.53 0.00 0.00 176.83 177.86 1ixy h ILE 326 N 0.45 0.00 -0.98 2.23 2.04 -1.03 -2.35 117.51 117.87 1ixy h ILE 326 Ca -0.06 -0.37 0.19 0.00 1.00 0.00 0.00 64.86 65.62 1ixy h ILE 326 Cb 1.44 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.43 1ixy h ILE 326 CO 0.16 0.00 0.61 0.06 0.00 0.00 0.00 178.15 178.98 1ixy h GLN 327 N -1.12 0.67 -0.09 2.37 3.07 -1.59 0.79 115.11 119.20 1ixy h GLN 327 Ca -0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 58.65 58.57 1ixy h GLN 327 Cb 0.58 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 1ixy h GLN 327 CO 0.13 0.44 -0.18 0.45 0.09 0.00 0.00 178.83 179.76 1ixy h HIS 328 N 0.69 0.15 -0.16 0.06 3.86 -1.53 -0.69 115.15 117.53 1ixy h HIS 328 Ca 0.55 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.63 1ixy h HIS 328 Cb 0.95 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1ixy h HIS 328 CO -0.00 0.32 -0.32 0.22 0.86 0.00 0.00 177.93 179.01 1ixy h ASP 329 N 0.14 0.57 -0.78 2.45 -0.00 0.11 -0.22 116.42 118.67 1ixy h ASP 329 Ca 0.03 -0.55 -0.02 0.00 -0.00 0.00 0.00 57.03 56.49 1ixy h ASP 329 Cb 0.40 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 39.53 1ixy h ASP 329 CO 0.03 1.01 0.42 0.40 -0.00 0.00 0.00 179.24 181.10 1ixy h ILE 330 N 0.14 1.23 0.05 2.25 1.08 -0.56 -1.81 117.51 119.90 1ixy h ILE 330 Ca 0.01 -0.59 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1ixy h ILE 330 Cb 0.91 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1ixy h ILE 330 CO 0.07 0.26 -0.02 0.25 -0.69 0.00 0.00 178.15 178.02 1ixy h LEU 331 N 1.08 -0.06 -2.59 1.44 6.46 -1.08 -2.95 115.31 117.62 1ixy h LEU 331 Ca 0.27 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1ixy h LEU 331 Cb 0.04 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1ixy h LEU 331 CO -0.04 0.26 0.11 0.78 -0.62 0.00 0.00 178.44 178.92 1ixy h ASN 332 N -0.38 0.00 -0.03 1.25 -0.26 -0.79 -0.29 115.58 115.08 1ixy h ASN 332 Ca -0.01 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 1ixy h ASN 332 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1ixy h ASN 332 CO 0.01 0.00 -0.40 0.11 -1.06 0.00 0.00 177.43 176.09 1ixy h LYS 333 N 0.00 0.33 -0.04 0.81 1.57 -1.17 -2.78 116.57 115.30 1ixy h LYS 333 Ca 0.02 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1ixy h LYS 333 Cb 0.23 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ixy h LYS 333 CO -0.00 0.98 0.03 1.15 -0.57 0.00 0.00 179.45 181.04 1ixy h THR 334 N -0.21 0.96 0.00 -0.16 2.02 -0.96 0.12 112.91 114.68 1ixy h THR 334 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1ixy h THR 334 Cb 1.10 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1ixy h THR 334 CO 0.08 0.00 -0.08 0.03 0.37 0.00 0.00 175.52 175.92 1ixy h ARG 335 N 0.00 0.00 0.00 6.66 3.08 -1.25 -2.89 114.38 119.98 1ixy h ARG 335 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ixy h ARG 335 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ixy h ARG 335 CO -0.00 0.08 -0.05 0.00 -1.07 0.00 0.00 179.97 178.93 1ixy h ALA 336 N 1.92 1.04 -0.74 0.04 0.00 -0.47 -2.79 119.26 118.26 1ixy h ALA 336 Ca -0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1ixy h ALA 336 Cb 0.85 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 1ixy h ALA 336 CO 0.01 0.06 0.31 1.63 0.00 0.00 0.00 179.25 181.27 1ixy n LYS 337 N -3.21 3.45 -0.16 0.00 5.02 -1.09 -4.69 118.16 117.48 1ixy n LYS 337 Ca -0.00 -2.92 -0.05 0.00 -2.02 0.00 0.00 58.31 53.32 1ixy n LYS 337 Cb 0.28 -2.17 0.01 0.00 -0.02 0.00 0.00 35.03 33.13 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 2.37 -0.15 -0.63 1.97 3.64 -1.66 -0.62 116.57 121.50 1ixy h LYS 338 Ca 0.30 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1ixy h LYS 338 Cb 2.34 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 34.14 1ixy h LYS 338 CO 0.76 -0.10 0.31 0.00 -2.27 0.00 0.00 179.45 178.15 1ixy h ALA 339 N 1.09 0.83 -0.16 5.00 0.00 -1.89 0.34 119.26 124.47 1ixy h ALA 339 Ca 0.22 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1ixy h ALA 339 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ixy h ALA 339 CO -0.58 -0.06 0.01 1.49 0.00 0.00 0.00 179.25 180.11 1ixy h GLU 340 N 0.56 0.07 -0.08 0.00 4.81 -1.61 -0.29 114.58 118.04 1ixy h GLU 340 Ca 0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1ixy h GLU 340 Cb 0.26 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ixy h GLU 340 CO -0.22 0.05 0.05 2.35 -0.73 0.00 0.00 179.01 180.50 1ixy h TRP 341 N 0.07 0.09 -0.97 0.92 7.01 -0.33 -1.98 115.95 120.76 1ixy h TRP 341 Ca 0.07 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.16 1ixy h TRP 341 Cb 0.08 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.04 1ixy h TRP 341 CO -0.14 0.05 0.63 1.96 -2.79 0.00 0.00 178.44 178.14 1ixy h GLN 342 N 0.10 1.02 -0.13 2.65 4.20 -0.09 -1.83 115.11 121.03 1ixy h GLN 342 Ca 0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1ixy h GLN 342 Cb -0.01 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1ixy h GLN 342 CO -0.01 0.68 0.01 -0.44 -0.67 0.00 0.00 178.83 178.39 1ixy h ASP 343 N 1.05 0.22 0.77 1.46 3.32 -0.63 -2.14 116.42 120.46 1ixy h ASP 343 Ca 0.44 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1ixy h ASP 343 Cb 0.31 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ixy h ASP 343 CO -0.20 0.45 -0.06 0.00 -1.72 0.00 0.00 179.24 177.71 1ixy h ALA 344 N 0.77 1.05 0.04 3.45 0.00 -1.10 -2.09 119.26 121.38 1ixy h ALA 344 Ca 0.04 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1ixy h ALA 344 Cb 0.34 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ixy h ALA 344 CO 0.01 0.08 -0.96 0.35 0.00 0.00 0.00 179.25 178.73 1ixy h PHE 345 N 0.00 0.89 0.07 0.00 -0.00 -1.12 -2.05 116.94 114.74 1ixy h PHE 345 Ca -0.00 -0.51 -0.00 0.00 -0.00 0.00 0.00 57.97 57.45 1ixy h PHE 345 Cb 0.47 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 36.32 1ixy h PHE 345 CO 0.00 1.35 -0.04 0.87 -0.00 0.00 0.00 178.31 180.49 1ixy h LYS 346 N 0.19 -0.10 0.00 1.11 1.57 -1.11 -0.89 116.57 117.34 1ixy h LYS 346 Ca -0.13 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1ixy h LYS 346 Cb 1.64 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1ixy h LYS 346 CO 0.19 0.10 0.10 0.87 -0.57 0.00 0.00 179.45 180.14 1ixy h LYS 347 N -0.28 0.00 0.00 3.15 1.57 -1.45 0.45 116.57 120.00 1ixy h LYS 347 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1ixy h LYS 347 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1ixy h LYS 347 CO 0.02 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 178.14 1ixy h ALA 348 N 1.80 0.69 -0.49 3.86 0.00 -0.41 -3.01 119.26 121.70 1ixy h ALA 348 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 54.91 54.03 1ixy h ALA 348 Cb 0.20 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 1ixy h ALA 348 CO 0.00 0.95 0.11 0.44 0.00 0.00 0.00 179.25 180.75 1ixy n ILE 349 N -3.56 2.65 -3.52 0.00 -5.35 0.15 -4.96 119.36 104.77 1ixy n ILE 349 Ca -0.00 -2.21 -0.21 0.00 -0.27 0.00 0.00 62.75 60.06 1ixy n ILE 349 Cb 0.75 -0.33 0.06 0.00 -1.74 0.00 0.00 39.64 38.38 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 -0.80 -3.82 0.00 7.28 8.00 -0.64 -5.04 116.55 121.54 1ixy n ASP 350 Ca 0.36 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1ixy n ASP 350 Cb 1.16 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 1ixy n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99