#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s THR 2 N 0.00 -0.24 0.14 12.58 2.01 -1.26 -1.15 115.64 127.72 1iru s THR 2 Ca 0.00 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.34 1iru s THR 2 Cb 0.00 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1iru s THR 2 CO 0.00 0.13 -0.05 0.42 -0.69 0.00 0.00 174.62 174.44 1iru s THR 3 N 2.13 0.83 -0.02 -0.82 -4.23 0.54 -2.11 115.64 111.96 1iru s THR 3 Ca 0.01 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.24 1iru s THR 3 Cb -0.12 -1.91 0.10 0.00 1.34 0.00 0.00 72.50 71.91 1iru s THR 3 CO -0.06 -0.67 0.87 -1.48 -0.54 0.00 0.00 174.62 172.74 1iru s LEU 4 N -3.14 -0.40 -0.26 4.79 0.05 -0.97 -0.98 118.68 117.77 1iru s LEU 4 Ca 0.18 0.12 -0.23 0.00 0.05 0.00 0.00 54.13 54.25 1iru s LEU 4 Cb 0.05 2.07 0.07 0.00 -2.05 0.00 0.00 46.19 46.33 1iru s LEU 4 CO 0.00 -0.60 0.68 0.00 -0.55 0.00 0.00 176.35 175.89 1iru s ALA 5 N -2.68 -1.71 -0.00 1.48 0.00 -0.48 -1.83 121.76 116.54 1iru s ALA 5 Ca 0.02 1.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.86 1iru s ALA 5 Cb -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1iru s ALA 5 CO -0.06 -0.33 0.23 -0.59 0.00 0.00 0.00 175.76 175.01 1iru s PHE 6 N 0.51 -0.07 -0.03 0.00 -0.12 -0.85 -0.69 117.98 116.72 1iru s PHE 6 Ca -0.01 0.05 0.05 0.00 -0.05 0.00 0.00 56.93 56.97 1iru s PHE 6 Cb -0.05 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1iru s PHE 6 CO -0.01 -0.35 -0.18 -1.59 -0.05 0.00 0.00 175.22 173.03 1iru s LYS 7 N -1.48 2.31 0.00 1.99 -2.85 -0.37 -0.04 119.74 119.30 1iru s LYS 7 Ca -0.13 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 1iru s LYS 7 Cb -0.06 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 1iru s LYS 7 CO 0.02 0.59 0.00 1.97 0.10 0.00 0.00 175.35 178.03 1iru n PHE 8 N 2.23 0.00 -0.08 1.78 -0.00 -0.03 -4.85 117.46 116.50 1iru n PHE 8 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.14 1iru n PHE 8 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.95 1iru n PHE 8 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1iru h ARG 9 N 0.00 0.86 -0.89 3.97 2.43 -1.47 -3.27 114.38 116.01 1iru h ARG 9 Ca 0.00 -0.54 -0.22 0.00 -0.81 0.00 0.00 59.98 58.41 1iru h ARG 9 Cb 0.00 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 1iru h ARG 9 CO 0.00 1.18 0.28 0.72 -1.51 0.00 0.00 179.97 180.64 1iru n HIS 10 N -4.04 1.86 0.00 2.20 8.25 -1.26 -5.02 115.22 117.21 1iru n HIS 10 Ca -0.04 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 1iru n HIS 10 Cb 0.62 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1iru n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iru n GLY 11 N -0.22 0.39 2.84 -1.41 0.00 -1.23 -4.68 105.19 100.87 1iru n GLY 11 Ca 0.33 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1iru n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 12 N 0.00 -0.03 -0.05 1.61 1.01 -1.10 -0.85 120.40 120.98 1iru s VAL 12 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1iru s VAL 12 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1iru s VAL 12 CO 0.00 0.05 0.08 -0.63 0.00 0.00 0.00 175.10 174.60 1iru s ILE 13 N 0.62 4.82 -0.05 2.22 -1.09 0.94 -0.91 121.20 127.75 1iru s ILE 13 Ca -0.05 -0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.13 1iru s ILE 13 Cb -0.07 -3.14 0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1iru s ILE 13 CO -0.02 0.48 0.09 -0.69 -1.23 0.00 0.00 174.94 173.57 1iru s VAL 14 N -1.08 -0.13 0.20 2.92 1.01 -0.63 -2.02 120.40 120.68 1iru s VAL 14 Ca 0.19 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1iru s VAL 14 Cb -0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1iru s VAL 14 CO 0.09 0.13 0.02 0.00 0.00 0.00 0.00 175.10 175.34 1iru s ALA 15 N 1.79 1.53 -0.16 5.51 0.00 -0.76 -0.10 121.76 129.58 1iru s ALA 15 Ca -0.01 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 49.95 1iru s ALA 15 Cb -0.12 0.64 0.14 0.00 0.00 0.00 0.00 23.12 23.78 1iru s ALA 15 CO -0.04 -0.33 1.09 0.00 0.00 0.00 0.00 175.76 176.48 1iru s ALA 16 N -3.63 -1.98 0.91 0.00 0.00 -0.75 -2.29 121.76 114.02 1iru s ALA 16 Ca 0.28 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1iru s ALA 16 Cb 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1iru s ALA 16 CO 0.07 -0.47 0.00 -0.40 0.00 0.00 0.00 175.76 174.96 1iru n ASP 17 N 0.24 0.00 -0.38 0.00 5.75 -0.89 -1.24 116.55 120.02 1iru n ASP 17 Ca -0.05 -0.60 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 1iru n ASP 17 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1iru n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1iru n SER 18 N -1.81 0.09 -4.79 -1.12 3.41 -0.48 -4.52 113.62 104.40 1iru n SER 18 Ca 0.00 -1.83 -0.39 0.00 -0.26 0.00 0.00 58.87 56.40 1iru n SER 18 Cb 0.00 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1iru n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1iru s ARG 19 N -0.10 4.21 -0.08 4.33 3.52 -1.02 -1.77 118.95 128.04 1iru s ARG 19 Ca 0.01 0.68 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1iru s ARG 19 Cb 0.01 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1iru s ARG 19 CO 0.00 0.54 -0.10 0.00 -0.81 0.00 0.00 175.30 174.93 1iru s ALA 20 N -0.73 1.24 0.38 6.12 0.00 0.53 -4.58 121.76 124.72 1iru s ALA 20 Ca 0.29 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.89 1iru s ALA 20 Cb -0.19 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1iru s ALA 20 CO 0.17 -0.08 0.08 0.95 0.00 0.00 0.00 175.76 176.88 1iru s THR 21 N 1.05 2.42 -0.42 0.00 -4.23 -1.26 0.15 115.64 113.36 1iru s THR 21 Ca -0.07 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1iru s THR 21 Cb -0.15 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 70.94 1iru s THR 21 CO -0.01 -0.09 0.29 0.00 -0.54 0.00 0.00 174.62 174.27 1iru s ALA 22 N -2.58 1.54 0.00 3.99 0.00 0.25 -4.79 121.76 120.18 1iru s ALA 22 Ca 0.37 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1iru s ALA 22 Cb 0.03 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1iru s ALA 22 CO 0.20 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1iru n GLY 23 N 3.33 1.25 0.06 0.00 0.00 -1.26 -2.65 105.19 105.92 1iru n GLY 23 Ca 0.19 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1iru n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru n ALA 24 N 9.53 2.86 -2.09 4.61 0.00 -1.26 -4.92 120.51 129.24 1iru n ALA 24 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1iru n ALA 24 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1iru n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1iru s TYR 25 N -3.36 2.83 -0.47 0.00 5.04 -1.08 -4.95 117.35 115.36 1iru s TYR 25 Ca -0.01 0.67 -0.29 0.00 -2.44 0.00 0.00 57.07 55.00 1iru s TYR 25 Cb 0.12 -3.79 0.02 0.00 0.35 0.00 0.00 41.96 38.66 1iru s TYR 25 CO 0.82 -2.99 1.30 0.42 -1.34 0.00 0.00 175.55 173.77 1iru s ILE 26 N 2.04 4.01 -0.19 3.14 -1.09 -1.26 -0.58 121.20 127.26 1iru s ILE 26 Ca 0.68 1.00 0.18 0.00 -2.23 0.00 0.00 60.65 60.28 1iru s ILE 26 Cb -0.37 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 1iru s ILE 26 CO 0.30 -0.94 1.16 0.00 -1.23 0.00 0.00 174.94 174.22 1iru h ALA 27 N 10.13 0.67 -1.71 9.38 0.00 -0.60 -3.48 119.26 133.65 1iru h ALA 27 Ca -0.26 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 54.32 1iru h ALA 27 Cb 1.08 0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 1iru h ALA 27 CO 1.12 0.56 0.63 0.45 0.00 0.00 0.00 179.25 182.01 1iru s SER 28 N -5.98 -0.29 -0.02 0.00 0.15 -0.86 -4.99 113.70 101.70 1iru s SER 28 Ca 0.01 0.16 0.11 0.00 0.70 0.00 0.00 55.95 56.93 1iru s SER 28 Cb 0.08 0.27 0.20 0.00 -1.71 0.00 0.00 66.02 64.86 1iru s SER 28 CO 0.77 -0.37 1.08 0.00 1.20 0.00 0.00 173.24 175.92 1iru n GLN 29 N 0.24 0.19 -1.17 5.44 6.02 -1.25 -0.35 117.38 126.51 1iru n GLN 29 Ca -0.06 -1.61 -0.01 0.00 -0.01 0.00 0.00 57.00 55.31 1iru n GLN 29 Cb 0.59 -0.47 0.13 0.00 1.02 0.00 0.00 30.24 31.51 1iru n GLN 29 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1iru n THR 30 N -0.01 1.86 -2.81 5.09 -2.24 -1.11 -4.15 114.28 110.91 1iru n THR 30 Ca 0.04 -3.07 -0.41 0.00 -2.27 0.00 0.00 64.05 58.35 1iru n THR 30 Cb 0.85 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1iru n THR 30 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iru s VAL 31 N -3.03 4.92 -0.95 2.28 1.01 -0.73 -4.98 120.40 118.92 1iru s VAL 31 Ca 0.39 1.86 -0.19 0.00 0.00 0.00 0.00 61.98 64.05 1iru s VAL 31 Cb 0.38 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1iru s VAL 31 CO -0.06 0.17 1.17 -0.54 0.00 0.00 0.00 175.10 175.84 1iru s LYS 32 N 1.05 3.63 0.00 2.72 1.02 -1.26 -4.49 119.74 122.40 1iru s LYS 32 Ca 0.47 -1.77 0.28 0.00 0.02 0.00 0.00 55.97 54.97 1iru s LYS 32 Cb -0.20 -4.96 1.48 0.00 -0.52 0.00 0.00 37.83 33.64 1iru s LYS 32 CO 0.24 -1.80 1.98 1.63 -0.92 0.00 0.00 175.35 176.48 1iru n LYS 33 N 6.67 0.52 -3.44 1.68 5.02 -1.26 -4.40 118.16 122.94 1iru n LYS 33 Ca 0.25 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 56.13 1iru n LYS 33 Cb 0.49 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1iru n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iru s VAL 34 N -2.44 5.01 -0.25 -0.18 1.01 -1.26 -1.01 120.40 121.28 1iru s VAL 34 Ca 0.30 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 1iru s VAL 34 Cb 0.19 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1iru s VAL 34 CO 0.40 -0.54 0.89 -0.63 0.00 0.00 0.00 175.10 175.22 1iru s ILE 35 N 1.60 4.78 -1.31 2.22 1.01 0.15 -4.94 121.20 124.72 1iru s ILE 35 Ca 0.04 1.64 -0.17 0.00 0.00 0.00 0.00 60.65 62.16 1iru s ILE 35 Cb -0.24 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1iru s ILE 35 CO 0.06 -0.14 1.95 -0.62 0.00 0.00 0.00 174.94 176.18 1iru n GLU 36 N 6.16 2.79 0.02 2.79 1.02 -1.26 -1.46 120.64 130.69 1iru n GLU 36 Ca 0.07 -2.85 -0.02 0.00 -0.02 0.00 0.00 57.16 54.34 1iru n GLU 36 Cb 0.47 -3.40 -0.01 0.00 -0.02 0.00 0.00 31.44 28.48 1iru n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1iru h ILE 37 N 4.98 0.00 -3.67 -3.67 2.04 -1.85 -3.46 117.51 111.89 1iru h ILE 37 Ca 0.47 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.97 1iru h ILE 37 Cb 0.78 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.71 1iru h ILE 37 CO 1.63 0.00 -0.62 0.20 0.00 0.00 0.00 178.15 179.36 1iru s ASN 38 N -2.65 1.33 0.00 1.72 0.01 -0.77 -4.84 114.94 109.75 1iru s ASN 38 Ca -0.02 -1.37 0.12 0.00 -0.71 0.00 0.00 52.86 50.88 1iru s ASN 38 Cb 0.01 0.13 0.71 0.00 0.41 0.00 0.00 41.25 42.51 1iru s ASN 38 CO 0.07 -0.70 1.16 -0.81 -1.51 0.00 0.00 177.10 175.30 1iru n PRO 39 N -0.47 0.54 0.00 -0.60 -0.04 -1.26 -2.26 135.00 130.91 1iru n PRO 39 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1iru n PRO 39 Cb 0.66 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1iru n PRO 39 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1iru n TYR 40 N -0.84 0.00 -3.91 0.54 0.18 -1.26 -2.96 117.16 108.90 1iru n TYR 40 Ca 0.09 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.73 1iru n TYR 40 Cb 0.04 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.85 1iru n TYR 40 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1iru s LEU 41 N -0.24 1.68 0.07 -3.48 1.43 -0.96 -4.24 118.68 112.94 1iru s LEU 41 Ca 0.00 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1iru s LEU 41 Cb 0.00 -0.10 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 1iru s LEU 41 CO 0.00 -0.03 -0.25 -0.76 0.23 0.00 0.00 176.35 175.54 1iru s LEU 42 N 0.36 2.21 0.13 1.79 1.43 0.72 -1.84 118.68 123.47 1iru s LEU 42 Ca -0.03 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 1iru s LEU 42 Cb -0.05 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1iru s LEU 42 CO -0.01 0.22 -0.10 -0.83 0.23 0.00 0.00 176.35 175.85 1iru s GLY 43 N -1.43 0.98 0.38 -3.19 0.00 -0.54 0.14 107.32 103.66 1iru s GLY 43 Ca 0.11 -1.37 0.08 0.00 0.00 0.00 0.00 44.72 43.54 1iru s GLY 43 CO 0.03 -1.46 0.25 -0.51 0.00 0.00 0.00 173.10 171.41 1iru s THR 44 N -2.96 2.81 -0.22 0.90 -4.23 -1.05 0.35 115.64 111.23 1iru s THR 44 Ca 0.12 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1iru s THR 44 Cb 0.00 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.88 1iru s THR 44 CO 0.00 -0.08 -0.08 -0.32 -0.54 0.00 0.00 174.62 173.60 1iru s MET 45 N -3.97 1.87 -0.03 3.99 0.00 -0.18 -4.56 119.30 116.42 1iru s MET 45 Ca 0.42 -0.94 -0.10 0.00 0.00 0.00 0.00 55.69 55.07 1iru s MET 45 Cb -0.02 -2.52 0.02 0.00 0.00 0.00 0.00 34.83 32.31 1iru s MET 45 CO 0.25 -0.51 0.22 0.00 0.00 0.00 0.00 175.02 174.98 1iru s ALA 46 N 1.37 -0.55 0.00 4.11 0.00 -1.00 -4.90 121.76 120.79 1iru s ALA 46 Ca -0.04 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1iru s ALA 46 Cb -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1iru s ALA 46 CO -0.07 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1iru n GLY 47 N 1.92 1.43 3.65 0.00 0.00 -1.26 -1.40 105.19 109.52 1iru n GLY 47 Ca -0.19 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1iru n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iru s GLY 48 N 0.00 1.98 0.04 -0.02 0.00 0.51 -4.98 107.32 104.86 1iru s GLY 48 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.14 1iru s GLY 48 CO 0.00 1.22 1.26 0.00 0.00 0.00 0.00 173.10 175.57 1iru h ALA 49 N 7.64 -0.87 -0.97 3.20 0.00 -1.88 -1.50 119.26 124.89 1iru h ALA 49 Ca -0.31 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 54.69 1iru h ALA 49 Cb 1.14 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1iru h ALA 49 CO 0.75 -0.90 0.58 0.00 0.00 0.00 0.00 179.25 179.68 1iru h ALA 50 N -1.25 1.55 -0.64 0.00 0.00 -1.95 -1.38 119.26 115.59 1iru h ALA 50 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1iru h ALA 50 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1iru h ALA 50 CO -0.07 0.01 0.42 -0.44 0.00 0.00 0.00 179.25 179.17 1iru h ASP 51 N 0.79 0.72 0.02 0.00 3.32 -1.76 0.28 116.42 119.79 1iru h ASP 51 Ca 0.54 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 1iru h ASP 51 Cb 0.75 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1iru h ASP 51 CO -0.35 0.52 -0.01 0.00 -1.72 0.00 0.00 179.24 177.68 1iru h SER 53 N -0.64 -0.89 0.30 0.00 0.02 -1.19 -1.58 113.55 109.57 1iru h SER 53 Ca -0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1iru h SER 53 Cb 0.61 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 1iru h SER 53 CO 0.00 -0.40 -0.49 0.15 -1.14 0.00 0.00 176.83 174.95 1iru h PHE 54 N -0.54 -1.39 -0.72 3.45 3.57 -1.05 0.40 116.94 120.66 1iru h PHE 54 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1iru h PHE 54 Cb 0.56 0.57 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1iru h PHE 54 CO -0.28 -0.62 0.42 -1.49 -2.23 0.00 0.00 178.31 174.12 1iru h TRP 55 N -0.85 0.96 -0.11 0.41 4.06 -1.50 -0.72 115.95 118.20 1iru h TRP 55 Ca -0.03 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.82 1iru h TRP 55 Cb 0.80 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 1iru h TRP 55 CO -0.34 0.66 -0.34 0.93 -3.56 0.00 0.00 178.44 175.78 1iru h GLU 56 N 0.99 0.22 -0.55 0.49 5.08 -1.20 0.21 114.58 119.82 1iru h GLU 56 Ca 0.26 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1iru h GLU 56 Cb -0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1iru h GLU 56 CO -0.05 0.54 0.02 -0.09 -1.00 0.00 0.00 179.01 178.44 1iru h ARG 57 N 0.19 0.93 -0.70 2.33 2.43 -0.20 0.31 114.38 119.67 1iru h ARG 57 Ca 0.02 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.86 1iru h ARG 57 Cb 0.71 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1iru h ARG 57 CO 0.05 0.91 0.18 1.25 -1.51 0.00 0.00 179.97 180.85 1iru h LEU 58 N 0.87 1.05 -0.76 3.80 5.85 -0.43 -1.43 115.31 124.25 1iru h LEU 58 Ca 0.16 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1iru h LEU 58 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1iru h LEU 58 CO 0.02 1.00 0.25 0.25 -0.34 0.00 0.00 178.44 179.63 1iru h LEU 59 N 1.06 1.10 -0.48 2.25 5.85 0.56 -0.12 115.31 125.53 1iru h LEU 59 Ca 0.22 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1iru h LEU 59 Cb 0.36 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1iru h LEU 59 CO 0.00 1.01 0.27 0.00 -0.34 0.00 0.00 178.44 179.38 1iru h ALA 60 N 1.14 0.61 -0.28 1.25 0.00 0.24 0.14 119.26 122.35 1iru h ALA 60 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1iru h ALA 60 Cb 0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1iru h ALA 60 CO -0.01 -0.06 0.06 -0.09 0.00 0.00 0.00 179.25 179.16 1iru h ARG 61 N 0.53 0.17 -0.54 0.00 2.43 -0.46 -1.23 114.38 115.28 1iru h ARG 61 Ca 0.20 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1iru h ARG 61 Cb 0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1iru h ARG 61 CO -0.11 0.11 0.08 0.37 -1.51 0.00 0.00 179.97 178.91 1iru h GLN 62 N 0.17 0.86 -0.51 0.20 5.75 -0.48 -1.97 115.11 119.14 1iru h GLN 62 Ca 0.13 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.33 1iru h GLN 62 Cb 0.13 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1iru h GLN 62 CO -0.16 0.81 -0.03 0.00 -2.65 0.00 0.00 178.83 176.80 1iru h ARG 64 N 0.79 0.49 0.05 0.00 9.65 -1.03 0.21 114.38 124.54 1iru h ARG 64 Ca 0.14 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1iru h ARG 64 Cb 0.56 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1iru h ARG 64 CO 0.03 0.46 -0.08 0.82 2.80 0.00 0.00 179.97 184.00 1iru h ILE 65 N 0.39 0.81 -0.55 1.20 1.08 -1.26 -1.58 117.51 117.61 1iru h ILE 65 Ca 0.11 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.69 1iru h ILE 65 Cb 0.15 0.81 -0.10 0.00 -3.07 0.00 0.00 36.82 34.60 1iru h ILE 65 CO -0.01 0.00 -0.10 0.22 -0.69 0.00 0.00 178.15 177.57 1iru h TYR 66 N -0.17 -0.23 -0.38 1.37 3.20 -0.94 -0.95 116.97 118.88 1iru h TYR 66 Ca 0.01 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1iru h TYR 66 Cb 0.18 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1iru h TYR 66 CO -0.12 -0.21 0.19 1.49 -1.64 0.00 0.00 178.16 177.87 1iru h GLU 67 N 0.03 0.38 0.00 1.82 4.81 -0.55 -0.77 114.58 120.29 1iru h GLU 67 Ca 0.27 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1iru h GLU 67 Cb 0.41 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1iru h GLU 67 CO -0.54 0.25 -0.11 -0.07 -0.73 0.00 0.00 179.01 177.82 1iru h LEU 68 N 0.39 0.00 0.00 1.64 3.38 -0.26 0.20 115.31 120.66 1iru h LEU 68 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1iru h LEU 68 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1iru h LEU 68 CO -0.11 0.11 -0.77 0.54 0.09 0.00 0.00 178.44 178.30 1iru n ARG 69 N -3.97 0.17 0.00 1.13 1.74 -0.47 -4.38 116.66 110.87 1iru n ARG 69 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1iru n ARG 69 Cb 0.20 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1iru n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iru n ASN 70 N -1.79 0.58 -4.48 0.55 3.02 -0.37 -5.01 115.26 107.75 1iru n ASN 70 Ca 0.04 -1.25 -0.40 0.00 -0.03 0.00 0.00 54.58 52.93 1iru n ASN 70 Cb 0.39 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 1iru n ASN 70 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1iru n LYS 71 N -0.13 -0.86 -3.71 3.52 5.02 0.66 -4.90 118.16 117.77 1iru n LYS 71 Ca 0.00 0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.29 1iru n LYS 71 Cb 0.36 -4.46 -0.09 0.00 -0.02 0.00 0.00 35.03 30.82 1iru n LYS 71 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iru s GLU 72 N -7.27 0.64 0.41 1.97 2.02 -1.24 -5.09 118.70 110.15 1iru s GLU 72 Ca 0.63 0.31 -0.24 0.00 0.02 0.00 0.00 54.97 55.69 1iru s GLU 72 Cb -0.37 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.08 1iru s GLU 72 CO 1.02 -0.14 1.11 1.03 0.02 0.00 0.00 175.26 178.30 1iru s ARG 73 N -0.46 4.04 0.42 1.61 0.52 -1.26 -4.13 118.95 119.69 1iru s ARG 73 Ca -0.06 1.66 -0.24 0.00 -0.52 0.00 0.00 55.73 56.58 1iru s ARG 73 Cb -0.03 -2.55 -0.09 0.00 0.52 0.00 0.00 34.95 32.80 1iru s ARG 73 CO 0.03 -0.28 1.08 -1.50 0.02 0.00 0.00 175.30 174.65 1iru s ILE 74 N -1.56 3.55 0.47 1.52 2.07 -1.26 -5.01 121.20 120.98 1iru s ILE 74 Ca 0.59 1.18 -0.21 0.00 -1.41 0.00 0.00 60.65 60.80 1iru s ILE 74 Cb -0.26 -3.60 -0.09 0.00 0.13 0.00 0.00 42.46 38.64 1iru s ILE 74 CO 0.32 -0.01 1.04 -0.94 -1.91 0.00 0.00 174.94 173.45 1iru s SER 75 N -1.52 6.40 0.20 4.50 1.04 -1.26 -4.85 113.70 118.22 1iru s SER 75 Ca 0.60 1.95 -0.11 0.00 0.48 0.00 0.00 55.95 58.86 1iru s SER 75 Cb -0.24 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.58 1iru s SER 75 CO 0.29 -0.74 1.68 0.58 0.98 0.00 0.00 173.24 176.04 1iru h VAL 76 N 1.65 0.59 -0.19 5.02 2.07 -1.95 0.70 116.25 124.14 1iru h VAL 76 Ca -0.49 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1iru h VAL 76 Cb 1.22 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1iru h VAL 76 CO 0.59 0.03 -0.11 0.00 0.02 0.00 0.00 177.57 178.10 1iru h ALA 77 N 1.49 0.04 -0.38 1.67 0.00 -1.97 0.08 119.26 120.19 1iru h ALA 77 Ca 0.30 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1iru h ALA 77 Cb 0.45 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1iru h ALA 77 CO -0.44 -0.54 0.13 0.00 0.00 0.00 0.00 179.25 178.40 1iru h ALA 78 N 1.05 0.44 0.56 0.00 0.00 -1.53 0.19 119.26 119.97 1iru h ALA 78 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1iru h ALA 78 Cb 0.26 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1iru h ALA 78 CO -0.25 -0.26 -0.27 0.00 0.00 0.00 0.00 179.25 178.47 1iru h ALA 79 N 1.25 -0.75 -0.72 0.00 0.00 -0.47 0.08 119.26 118.64 1iru h ALA 79 Ca 0.18 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1iru h ALA 79 Cb 0.16 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1iru h ALA 79 CO -0.18 -0.88 0.48 0.66 0.00 0.00 0.00 179.25 179.33 1iru h SER 80 N -0.84 0.53 -0.02 0.00 4.64 -0.83 0.19 113.55 117.22 1iru h SER 80 Ca -0.08 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 1iru h SER 80 Cb 0.61 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1iru h SER 80 CO 0.13 0.31 -0.30 0.50 -0.87 0.00 0.00 176.83 176.60 1iru h LYS 81 N 0.58 0.46 0.35 4.77 1.63 -0.22 0.07 116.57 124.21 1iru h LYS 81 Ca 0.34 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1iru h LYS 81 Cb 0.53 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1iru h LYS 81 CO -0.12 0.72 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.36 1iru h LEU 82 N 0.40 -0.39 -0.65 5.20 3.38 0.10 -1.31 115.31 122.04 1iru h LEU 82 Ca 0.05 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.01 1iru h LEU 82 Cb 0.73 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1iru h LEU 82 CO 0.06 -0.09 0.23 0.25 0.09 0.00 0.00 178.44 178.97 1iru h LEU 83 N -0.71 0.20 -0.50 1.67 5.85 -1.10 0.57 115.31 121.29 1iru h LEU 83 Ca -0.05 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1iru h LEU 83 Cb 0.49 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1iru h LEU 83 CO 0.08 0.11 0.29 0.00 -0.34 0.00 0.00 178.44 178.58 1iru h ALA 84 N 1.47 0.65 -0.24 1.25 0.00 -0.85 -2.13 119.26 119.40 1iru h ALA 84 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1iru h ALA 84 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1iru h ALA 84 CO -0.35 -0.01 0.08 -0.91 0.00 0.00 0.00 179.25 178.06 1iru h ASN 85 N 0.58 0.34 -0.43 0.00 2.35 0.04 -0.72 115.58 117.74 1iru h ASN 85 Ca 0.21 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1iru h ASN 85 Cb 0.04 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 1iru h ASN 85 CO -0.10 0.44 0.07 0.24 -1.65 0.00 0.00 177.43 176.42 1iru h MET 86 N 0.22 0.18 -0.13 0.81 2.86 -0.72 -3.02 114.93 115.13 1iru h MET 86 Ca 0.08 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 1iru h MET 86 Cb 0.21 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1iru h MET 86 CO -0.00 0.12 -0.66 0.28 1.06 0.00 0.00 176.91 177.71 1iru h VAL 87 N 0.19 1.34 -0.90 -2.22 2.07 -1.27 -3.30 116.25 112.16 1iru h VAL 87 Ca 0.21 -1.98 0.13 0.00 0.82 0.00 0.00 66.70 65.88 1iru h VAL 87 Cb 0.28 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 1iru h VAL 87 CO -0.30 0.61 0.58 0.22 0.02 0.00 0.00 177.57 178.70 1iru h TYR 88 N 0.36 0.88 -0.90 1.57 3.20 -0.99 -1.87 116.97 119.22 1iru h TYR 88 Ca -0.02 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.09 1iru h TYR 88 Cb 1.23 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 39.15 1iru h TYR 88 CO 0.05 0.35 0.60 1.96 -1.64 0.00 0.00 178.16 179.48 1iru h GLN 89 N 0.77 0.37 -0.55 1.82 4.20 -1.64 0.07 115.11 120.15 1iru h GLN 89 Ca 0.44 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1iru h GLN 89 Cb 0.62 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1iru h GLN 89 CO -0.21 0.24 0.00 0.66 -0.67 0.00 0.00 178.83 178.86 1iru n TYR 90 N -4.50 0.76 -1.67 2.96 4.02 -0.71 -4.95 117.16 113.07 1iru n TYR 90 Ca 0.19 -0.37 -0.48 0.00 -0.01 0.00 0.00 57.90 57.24 1iru n TYR 90 Cb 0.72 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.98 1iru n TYR 90 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1iru n LYS 91 N 1.06 2.09 0.00 -0.72 4.81 0.01 -0.78 118.16 124.63 1iru n LYS 91 Ca 0.18 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1iru n LYS 91 Cb 0.48 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1iru n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iru n GLY 92 N 3.81 0.28 0.88 3.14 0.00 -1.26 -4.95 105.19 107.09 1iru n GLY 92 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1iru n GLY 92 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iru n MET 93 N -1.77 2.21 -0.03 1.61 2.81 0.04 -4.97 117.12 117.02 1iru n MET 93 Ca 0.00 -1.77 0.00 0.00 -1.81 0.00 0.00 57.70 54.12 1iru n MET 93 Cb 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1iru n MET 93 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iru n GLY 94 N 1.33 0.58 3.76 3.03 0.00 -1.26 -5.06 105.19 107.57 1iru n GLY 94 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1iru n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iru s LEU 95 N 0.00 3.98 -0.25 0.99 1.43 -1.26 -4.97 118.68 118.60 1iru s LEU 95 Ca 0.00 2.82 0.01 0.00 -1.03 0.00 0.00 54.13 55.93 1iru s LEU 95 Cb 0.00 -4.12 0.06 0.00 0.03 0.00 0.00 46.19 42.17 1iru s LEU 95 CO 0.00 -1.37 -0.05 -0.55 0.23 0.00 0.00 176.35 174.61 1iru s SER 96 N -0.76 3.99 -0.11 2.29 0.15 -1.26 -4.86 113.70 113.15 1iru s SER 96 Ca 0.66 -1.29 -0.04 0.00 0.70 0.00 0.00 55.95 55.98 1iru s SER 96 Cb -0.42 -1.24 0.06 0.00 -1.71 0.00 0.00 66.02 62.71 1iru s SER 96 CO 0.51 -0.25 0.22 -0.32 1.20 0.00 0.00 173.24 174.60 1iru s MET 97 N 1.34 0.10 -0.27 5.44 0.00 -1.26 -0.36 119.30 124.29 1iru s MET 97 Ca -0.04 0.65 0.01 0.00 0.00 0.00 0.00 55.69 56.31 1iru s MET 97 Cb -0.19 -0.14 0.07 0.00 0.00 0.00 0.00 34.83 34.58 1iru s MET 97 CO -0.07 -0.29 -0.01 0.20 0.00 0.00 0.00 175.02 174.86 1iru s GLY 98 N 2.28 1.39 0.05 2.11 0.00 -0.49 -2.07 107.32 110.59 1iru s GLY 98 Ca 0.01 -1.65 -0.02 0.00 0.00 0.00 0.00 44.72 43.05 1iru s GLY 98 CO -0.07 1.04 0.01 -1.08 0.00 0.00 0.00 173.10 173.00 1iru s THR 99 N 1.33 0.19 -0.15 0.90 -1.32 -0.80 -2.37 115.64 113.41 1iru s THR 99 Ca 0.00 -1.54 0.02 0.00 -1.21 0.00 0.00 61.69 58.96 1iru s THR 99 Cb -0.19 -1.28 0.01 0.00 -1.51 0.00 0.00 72.50 69.53 1iru s THR 99 CO -0.10 -0.85 -0.20 -0.04 -2.21 0.00 0.00 174.62 171.22 1iru s MET 100 N -3.49 2.89 -0.30 7.08 -1.94 -1.26 -0.07 119.30 122.22 1iru s MET 100 Ca 0.03 -0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 53.08 1iru s MET 100 Cb 0.05 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 1iru s MET 100 CO -0.08 -0.09 0.27 0.42 -0.01 0.00 0.00 175.02 175.53 1iru s ILE 101 N 1.00 5.25 0.06 2.53 -1.09 0.14 -2.51 121.20 126.58 1iru s ILE 101 Ca -0.03 0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.62 1iru s ILE 101 Cb -0.15 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1iru s ILE 101 CO -0.05 0.12 -0.23 0.00 -1.23 0.00 0.00 174.94 173.55 1iru n GLY 103 N 1.68 0.61 2.86 0.00 0.00 -0.32 -0.20 105.19 109.83 1iru n GLY 103 Ca -0.17 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1iru n GLY 103 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iru s TRP 104 N -3.11 2.14 0.00 1.61 -0.11 -1.26 0.10 118.94 118.32 1iru s TRP 104 Ca 0.06 -1.74 0.00 0.00 1.22 0.00 0.00 56.10 55.65 1iru s TRP 104 Cb -0.00 -1.67 0.00 0.00 -1.50 0.00 0.00 33.47 30.30 1iru s TRP 104 CO 0.00 -0.79 0.00 -0.25 -4.62 0.00 0.00 176.95 171.29 1iru n ASP 105 N 4.73 0.00 -1.83 5.86 8.00 -0.30 -4.86 116.55 128.15 1iru n ASP 105 Ca -0.07 -0.01 0.07 0.00 0.71 0.00 0.00 54.79 55.49 1iru n ASP 105 Cb 0.44 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.93 1iru n ASP 105 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1iru n LYS 106 N -0.01 4.68 0.00 -1.24 0.00 -1.26 -3.27 118.16 117.06 1iru n LYS 106 Ca 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 58.31 55.24 1iru n LYS 106 Cb 0.00 -2.20 0.00 0.00 -0.00 0.00 0.00 35.03 32.83 1iru n LYS 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1iru n ARG 107 N 0.71 -0.41 0.00 -1.58 1.74 -1.26 -5.14 116.66 110.71 1iru n ARG 107 Ca 0.27 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1iru n ARG 107 Cb 1.14 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 1iru n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iru n GLY 108 N 0.01 -1.77 3.60 -0.13 0.00 -1.20 -4.96 105.19 100.74 1iru n GLY 108 Ca 0.00 -1.97 -0.45 0.00 0.00 0.00 0.00 46.02 43.59 1iru n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iru n PRO 109 N 0.00 1.40 -4.35 1.61 -0.02 -1.26 -1.14 135.00 131.24 1iru n PRO 109 Ca 0.00 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 1iru n PRO 109 Cb 0.00 -1.92 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 1iru n PRO 109 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1iru s GLY 110 N -0.36 0.52 -0.08 -1.23 0.00 0.29 -4.83 107.32 101.64 1iru s GLY 110 Ca 0.62 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 45.04 1iru s GLY 110 CO 0.57 0.05 0.14 -2.27 0.00 0.00 0.00 173.10 171.60 1iru s LEU 111 N 0.39 0.05 0.01 0.66 2.96 -1.26 -1.17 118.68 120.31 1iru s LEU 111 Ca -0.06 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1iru s LEU 111 Cb -0.10 0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.80 1iru s LEU 111 CO 0.01 -0.23 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.34 1iru s TYR 112 N 2.14 1.39 -0.19 5.38 1.51 -0.17 -2.51 117.35 124.90 1iru s TYR 112 Ca 0.02 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1iru s TYR 112 Cb -0.12 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1iru s TYR 112 CO -0.05 0.00 0.06 -0.47 -1.11 0.00 0.00 175.55 173.98 1iru s TYR 113 N -0.52 3.21 -0.05 2.71 5.04 0.92 0.25 117.35 128.91 1iru s TYR 113 Ca 0.05 -0.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1iru s TYR 113 Cb -0.07 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1iru s TYR 113 CO 0.00 0.06 -0.14 0.08 -1.34 0.00 0.00 175.55 174.21 1iru s VAL 114 N 0.60 1.22 0.30 3.14 1.01 0.89 -1.30 120.40 126.26 1iru s VAL 114 Ca 0.03 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1iru s VAL 114 Cb -0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1iru s VAL 114 CO 0.01 0.36 0.15 -1.81 0.00 0.00 0.00 175.10 173.81 1iru s ASP 115 N 0.24 4.98 0.00 3.32 1.01 -0.19 -1.91 116.67 124.12 1iru s ASP 115 Ca -0.07 -0.55 0.27 0.00 0.71 0.00 0.00 52.55 52.92 1iru s ASP 115 Cb -0.12 -0.99 0.86 0.00 1.01 0.00 0.00 42.92 43.68 1iru s ASP 115 CO 0.02 -0.16 1.63 -1.54 0.21 0.00 0.00 175.17 175.33 1iru n SER 116 N -1.13 1.18 0.11 0.27 3.41 -0.88 -2.93 113.62 113.65 1iru n SER 116 Ca -0.05 -1.09 0.12 0.00 -0.26 0.00 0.00 58.87 57.59 1iru n SER 116 Cb 0.59 0.09 0.13 0.00 -0.26 0.00 0.00 64.21 64.76 1iru n SER 116 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iru h GLU 117 N 1.58 0.00 0.00 4.33 4.39 -1.91 -3.43 114.58 119.54 1iru h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iru h GLU 117 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1iru h GLU 117 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1iru n GLY 118 N 1.23 1.33 3.77 -3.84 0.00 -1.15 -5.05 105.19 101.47 1iru n GLY 118 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1iru n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iru s ASN 119 N -1.96 5.57 -0.29 1.61 0.01 -1.26 -4.81 114.94 113.79 1iru s ASN 119 Ca 0.00 2.29 0.01 0.00 -0.71 0.00 0.00 52.86 54.45 1iru s ASN 119 Cb 0.00 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.26 1iru s ASN 119 CO 0.00 -1.33 0.69 -0.60 -1.51 0.00 0.00 177.10 174.35 1iru s ARG 120 N -3.21 0.48 0.02 -0.60 3.52 -1.23 -1.02 118.95 116.90 1iru s ARG 120 Ca 0.73 0.59 0.01 0.00 -0.13 0.00 0.00 55.73 56.92 1iru s ARG 120 Cb -0.27 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1iru s ARG 120 CO 0.31 -0.78 -0.03 0.96 -0.81 0.00 0.00 175.30 174.95 1iru s ILE 121 N 2.86 0.18 0.08 4.11 -4.36 -0.42 -4.95 121.20 118.70 1iru s ILE 121 Ca 0.14 -0.60 -0.16 0.00 -0.26 0.00 0.00 60.65 59.77 1iru s ILE 121 Cb -0.10 -0.25 -0.06 0.00 1.25 0.00 0.00 42.46 43.29 1iru s ILE 121 CO -0.23 -0.27 0.52 -0.55 0.24 0.00 0.00 174.94 174.64 1iru s SER 122 N -0.92 6.92 0.24 4.36 0.15 -1.26 -0.06 113.70 123.13 1iru s SER 122 Ca -0.09 1.12 -0.22 0.00 0.70 0.00 0.00 55.95 57.47 1iru s SER 122 Cb -0.06 -2.31 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1iru s SER 122 CO -0.00 0.23 0.70 -0.83 1.20 0.00 0.00 173.24 174.54 1iru s GLY 123 N -1.30 -0.24 -0.05 9.45 0.00 -1.04 -4.98 107.32 109.16 1iru s GLY 123 Ca 0.30 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.69 1iru s GLY 123 CO 0.18 -0.02 1.12 0.00 0.00 0.00 0.00 173.10 174.37 1iru h ALA 124 N 2.00 -0.03 -2.97 3.20 0.00 -1.93 -3.42 119.26 116.12 1iru h ALA 124 Ca -0.23 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.11 1iru h ALA 124 Cb 1.27 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.87 1iru h ALA 124 CO 0.27 -0.21 -0.73 0.95 0.00 0.00 0.00 179.25 179.53 1iru s THR 125 N -3.72 0.62 -0.15 0.00 -4.23 -1.26 -1.23 115.64 105.67 1iru s THR 125 Ca -0.16 -1.30 -0.17 0.00 -1.18 0.00 0.00 61.69 58.88 1iru s THR 125 Cb 0.00 -0.89 0.04 0.00 1.34 0.00 0.00 72.50 73.00 1iru s THR 125 CO 0.66 -0.48 0.46 -0.36 -0.54 0.00 0.00 174.62 174.36 1iru s PHE 126 N -1.89 -0.48 -0.02 3.99 2.99 0.13 -4.98 117.98 117.72 1iru s PHE 126 Ca -0.04 1.13 0.04 0.00 0.00 0.00 0.00 56.93 58.05 1iru s PHE 126 Cb -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 43.02 43.13 1iru s PHE 126 CO -0.01 -0.29 -0.13 0.45 -0.00 0.00 0.00 175.22 175.25 1iru s SER 127 N -0.05 1.54 0.00 1.36 0.15 -1.26 -1.38 113.70 114.06 1iru s SER 127 Ca -0.02 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1iru s SER 127 Cb -0.03 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1iru s SER 127 CO 0.02 0.14 -0.02 -0.69 1.20 0.00 0.00 173.24 173.89 1iru s VAL 128 N -0.16 0.16 0.00 4.45 1.01 -0.15 -4.91 120.40 120.79 1iru s VAL 128 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1iru s VAL 128 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1iru s VAL 128 CO -0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1iru n GLY 129 N 2.77 2.76 0.33 4.51 0.00 -1.26 -0.34 105.19 113.96 1iru n GLY 129 Ca -0.14 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.90 1iru n GLY 129 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 130 N 0.00 0.49 -0.23 1.61 4.64 -1.53 -1.02 113.55 117.51 1iru h SER 130 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iru h SER 130 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1iru h SER 130 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1iru n GLY 131 N -1.48 0.57 0.20 -0.77 0.00 -0.75 -4.50 105.19 98.45 1iru n GLY 131 Ca 0.07 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1iru n GLY 131 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 132 N 2.53 -0.47 -1.11 1.61 4.64 -1.38 -1.95 113.55 117.41 1iru h SER 132 Ca 0.00 0.11 0.30 0.00 -0.47 0.00 0.00 61.79 61.74 1iru h SER 132 Cb 0.56 0.26 -0.09 0.00 -0.31 0.00 0.00 62.40 62.82 1iru h SER 132 CO 0.00 -0.18 0.73 -0.37 -0.87 0.00 0.00 176.83 176.14 1iru h VAL 133 N -0.10 0.45 0.12 0.95 -1.51 -1.80 0.14 116.25 114.49 1iru h VAL 133 Ca 0.15 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.52 1iru h VAL 133 Cb 0.33 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.63 1iru h VAL 133 CO -0.35 0.05 -0.06 1.88 -1.23 0.00 0.00 177.57 177.86 1iru h TYR 134 N 0.28 -0.15 -0.80 5.19 0.99 -1.70 -2.90 116.97 117.88 1iru h TYR 134 Ca 0.62 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.45 1iru h TYR 134 Cb 1.79 0.05 -0.08 0.00 1.00 0.00 0.00 36.73 39.50 1iru h TYR 134 CO -0.00 0.32 0.44 0.00 -0.00 0.00 0.00 178.16 178.92 1iru h ALA 135 N 0.03 1.15 -0.48 3.88 0.00 -0.79 0.11 119.26 123.15 1iru h ALA 135 Ca -0.02 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 135 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1iru h ALA 135 CO 0.03 0.03 0.04 1.88 0.00 0.00 0.00 179.25 181.23 1iru h TYR 136 N 0.72 0.05 -0.29 0.00 -1.99 -0.81 0.10 116.97 114.76 1iru h TYR 136 Ca 0.40 0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.20 1iru h TYR 136 Cb 0.41 0.05 -0.06 0.00 2.00 0.00 0.00 36.73 39.14 1iru h TYR 136 CO -0.08 -0.07 -0.40 0.78 -0.00 0.00 0.00 178.16 178.40 1iru h GLY 137 N 0.16 -1.28 1.29 3.88 0.00 -0.76 0.55 103.07 106.91 1iru h GLY 137 Ca 0.24 0.75 -0.12 0.00 0.00 0.00 0.00 47.33 48.20 1iru h GLY 137 CO -0.37 -0.30 -0.25 -0.39 0.00 0.00 0.00 176.54 175.24 1iru h VAL 138 N -0.29 1.27 -0.19 4.60 -1.51 -1.35 -2.77 116.25 116.01 1iru h VAL 138 Ca 0.05 -1.38 -0.02 0.00 -1.23 0.00 0.00 66.70 64.12 1iru h VAL 138 Cb 0.42 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1iru h VAL 138 CO -0.42 0.46 0.06 -0.03 -1.23 0.00 0.00 177.57 176.41 1iru h MET 139 N 0.70 0.30 -0.88 5.19 -1.53 -0.54 -2.78 114.93 115.39 1iru h MET 139 Ca 0.09 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.31 1iru h MET 139 Cb 0.78 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.74 1iru h MET 139 CO 0.06 0.42 0.58 -0.44 0.14 0.00 0.00 176.91 177.67 1iru h ASP 140 N 0.13 0.97 -2.00 1.39 3.45 0.10 -1.04 116.42 119.43 1iru h ASP 140 Ca 0.06 -0.02 -0.73 0.00 0.43 0.00 0.00 57.03 56.78 1iru h ASP 140 Cb 0.24 -0.23 -0.16 0.00 -0.56 0.00 0.00 39.33 38.62 1iru h ASP 140 CO -0.00 0.68 1.45 -0.13 -1.57 0.00 0.00 179.24 179.67 1iru s ARG 141 N -5.95 4.06 0.00 3.56 1.81 -1.05 -3.53 118.95 117.85 1iru s ARG 141 Ca -0.12 -2.48 0.00 0.00 -1.72 0.00 0.00 55.73 51.41 1iru s ARG 141 Cb 0.18 -5.12 0.00 0.00 -0.45 0.00 0.00 34.95 29.56 1iru s ARG 141 CO 0.80 -1.83 0.00 0.41 -0.68 0.00 0.00 175.30 174.00 1iru n GLY 142 N 4.32 0.42 3.72 -3.53 0.00 -1.18 -4.83 105.19 104.11 1iru n GLY 142 Ca 0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1iru n GLY 142 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iru s TYR 143 N 0.00 3.62 -0.09 1.61 5.04 -0.40 -5.03 117.35 122.11 1iru s TYR 143 Ca 0.00 1.36 -0.05 0.00 -2.44 0.00 0.00 57.07 55.94 1iru s TYR 143 Cb 0.00 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.49 1iru s TYR 143 CO 0.00 0.11 0.21 0.45 -1.34 0.00 0.00 175.55 174.99 1iru s SER 144 N 0.65 -0.22 0.65 4.32 0.15 -1.26 -5.01 113.70 112.97 1iru s SER 144 Ca 0.40 0.44 0.41 0.00 0.70 0.00 0.00 55.95 57.91 1iru s SER 144 Cb -0.19 0.36 2.27 0.00 -1.71 0.00 0.00 66.02 66.76 1iru s SER 144 CO 0.21 -0.13 2.33 0.22 1.20 0.00 0.00 173.24 177.07 1iru h TYR 145 N 6.79 0.00 -0.53 3.44 3.20 -1.96 -1.60 116.97 126.30 1iru h TYR 145 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1iru h TYR 145 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1iru h TYR 145 CO 0.39 0.00 0.00 -0.25 -1.64 0.00 0.00 178.16 176.66 1iru n ASP 146 N -3.23 3.47 -4.73 -2.11 8.00 -1.26 -1.28 116.55 115.42 1iru n ASP 146 Ca -0.03 -2.20 -0.38 0.00 0.71 0.00 0.00 54.79 52.90 1iru n ASP 146 Cb 0.09 -0.45 0.06 0.00 -0.02 0.00 0.00 41.12 40.79 1iru n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1iru n LEU 147 N 0.97 5.84 -4.81 0.64 4.77 -0.61 -4.97 117.00 118.84 1iru n LEU 147 Ca 0.20 0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 56.70 1iru n LEU 147 Cb 0.62 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.08 1iru n LEU 147 CO 0.16 -0.87 0.51 -1.61 -1.33 0.00 0.00 177.39 174.25 1iru s GLU 148 N -3.19 4.34 0.16 3.23 2.02 -1.26 -4.73 118.70 119.27 1iru s GLU 148 Ca 0.79 1.02 -0.24 0.00 0.02 0.00 0.00 54.97 56.55 1iru s GLU 148 Cb -0.39 -2.77 0.03 0.00 0.10 0.00 0.00 34.13 31.09 1iru s GLU 148 CO 0.43 0.31 1.39 0.28 0.02 0.00 0.00 175.26 177.69 1iru n VAL 149 N 0.49 -0.57 0.31 2.63 0.31 -1.26 0.12 118.33 120.36 1iru n VAL 149 Ca 0.00 2.15 0.14 0.00 -0.01 0.00 0.00 64.34 66.63 1iru n VAL 149 Cb 0.51 -2.72 0.65 0.00 -0.91 0.00 0.00 33.84 31.37 1iru n VAL 149 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1iru h GLU 150 N 0.00 0.00 0.09 5.55 3.07 -2.00 -1.89 114.58 119.41 1iru h GLU 150 Ca 0.20 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 1iru h GLU 150 Cb 0.42 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1iru h GLU 150 CO -0.86 0.00 -0.56 1.96 -1.40 0.00 0.00 179.01 178.15 1iru h GLN 151 N 0.00 0.21 -0.99 2.33 4.20 0.63 -3.16 115.11 118.33 1iru h GLN 151 Ca 0.00 -0.35 0.04 0.00 0.06 0.00 0.00 58.65 58.40 1iru h GLN 151 Cb 0.26 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 1iru h GLN 151 CO 0.00 1.16 0.65 0.00 -0.67 0.00 0.00 178.83 179.97 1iru h ALA 152 N 0.06 1.36 -0.46 3.87 0.00 -0.44 -1.82 119.26 121.83 1iru h ALA 152 Ca -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iru h ALA 152 Cb 1.43 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1iru h ALA 152 CO 0.10 0.54 0.29 1.88 0.00 0.00 0.00 179.25 182.06 1iru h TYR 153 N 1.24 0.55 -0.26 0.00 -1.99 -1.44 -2.44 116.97 112.63 1iru h TYR 153 Ca 0.40 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.13 1iru h TYR 153 Cb 0.02 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1iru h TYR 153 CO -0.00 0.34 0.11 -0.44 -0.00 0.00 0.00 178.16 178.16 1iru h ASP 154 N 0.59 0.36 0.15 3.88 5.19 -1.38 -1.89 116.42 123.33 1iru h ASP 154 Ca 0.18 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1iru h ASP 154 Cb -0.04 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1iru h ASP 154 CO -0.06 0.42 -0.21 0.25 -3.12 0.00 0.00 179.24 176.52 1iru h LEU 155 N 0.28 -0.61 -0.45 1.55 5.85 -1.19 0.26 115.31 121.00 1iru h LEU 155 Ca 0.09 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1iru h LEU 155 Cb 0.17 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 1iru h LEU 155 CO -0.01 -0.26 -0.33 0.00 -0.34 0.00 0.00 178.44 177.50 1iru h ALA 156 N -1.31 -0.15 -0.41 1.25 0.00 -1.50 0.36 119.26 117.50 1iru h ALA 156 Ca -0.02 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1iru h ALA 156 Cb 0.35 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1iru h ALA 156 CO -0.06 -0.72 0.27 -0.09 0.00 0.00 0.00 179.25 178.66 1iru h ARG 157 N -0.23 0.30 0.02 0.00 2.43 -1.21 -1.76 114.38 113.92 1iru h ARG 157 Ca 0.19 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1iru h ARG 157 Cb 0.54 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1iru h ARG 157 CO -0.57 0.20 -0.01 -0.09 -1.51 0.00 0.00 179.97 177.98 1iru h ARG 158 N 0.30 -0.02 -0.20 0.20 2.43 0.24 -2.81 114.38 114.51 1iru h ARG 158 Ca 0.18 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 1iru h ARG 158 Cb 0.32 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 1iru h ARG 158 CO -0.04 0.64 -0.40 0.00 -1.51 0.00 0.00 179.97 178.66 1iru h ALA 159 N 0.21 -0.50 -0.86 2.80 0.00 0.03 0.12 119.26 121.06 1iru h ALA 159 Ca -0.00 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1iru h ALA 159 Cb 0.68 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1iru h ALA 159 CO 0.00 -0.88 0.50 0.82 0.00 0.00 0.00 179.25 179.70 1iru h ILE 160 N -0.43 0.93 -0.07 0.00 1.08 -1.43 -1.86 117.51 115.74 1iru h ILE 160 Ca 0.10 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1iru h ILE 160 Cb 0.60 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1iru h ILE 160 CO -0.44 0.16 0.04 0.22 -0.69 0.00 0.00 178.15 177.44 1iru h TYR 161 N 0.85 0.09 -0.73 1.37 3.20 -0.84 -1.19 116.97 119.72 1iru h TYR 161 Ca 0.41 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.37 1iru h TYR 161 Cb 0.35 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1iru h TYR 161 CO -0.05 0.09 0.48 1.96 -1.64 0.00 0.00 178.16 179.00 1iru h GLN 162 N 0.06 0.64 -0.05 1.82 1.08 -0.29 -1.22 115.11 117.14 1iru h GLN 162 Ca 0.02 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1iru h GLN 162 Cb 0.03 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1iru h GLN 162 CO -0.00 0.42 -0.03 0.00 -0.95 0.00 0.00 178.83 178.27 1iru h ALA 163 N 1.63 0.08 -0.02 3.87 0.00 -0.93 -2.02 119.26 121.86 1iru h ALA 163 Ca 0.33 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1iru h ALA 163 Cb 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iru h ALA 163 CO -0.11 -0.17 0.32 1.79 0.00 0.00 0.00 179.25 181.08 1iru h THR 164 N -0.28 0.02 0.25 0.00 1.35 -0.07 0.50 112.91 114.68 1iru h THR 164 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1iru h THR 164 Cb 0.48 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1iru h THR 164 CO 0.01 0.00 -0.12 0.22 -0.25 0.00 0.00 175.52 175.38 1iru h TYR 165 N 0.00 -0.31 0.16 4.73 3.20 -0.63 -3.40 116.97 120.72 1iru h TYR 165 Ca 0.01 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 1iru h TYR 165 Cb 0.66 0.10 0.02 0.00 1.54 0.00 0.00 36.73 39.05 1iru h TYR 165 CO 0.00 -0.04 -0.95 0.00 -1.64 0.00 0.00 178.16 175.53 1iru h ARG 166 N -1.02 0.34 -6.16 1.82 2.47 -0.99 -3.45 114.38 107.40 1iru h ARG 166 Ca -0.03 -0.58 -0.57 0.00 -1.26 0.00 0.00 59.98 57.53 1iru h ARG 166 Cb 0.41 0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 1iru h ARG 166 CO 0.06 1.28 0.74 0.34 0.56 0.00 0.00 179.97 182.95 1iru s ASP 167 N -7.08 7.11 0.47 7.04 2.15 0.06 -4.92 116.67 121.50 1iru s ASP 167 Ca -0.13 1.50 0.31 0.00 0.43 0.00 0.00 52.55 54.66 1iru s ASP 167 Cb 0.02 -2.55 1.26 0.00 -0.30 0.00 0.00 42.92 41.35 1iru s ASP 167 CO 0.85 -0.62 1.91 0.00 -0.17 0.00 0.00 175.17 177.14 1iru h ALA 168 N 7.46 1.00 -0.65 3.66 0.00 -1.86 -2.95 119.26 125.92 1iru h ALA 168 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iru h ALA 168 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1iru h ALA 168 CO 0.94 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.85 1iru n TYR 169 N -2.86 0.87 -5.17 0.00 4.02 -1.26 -4.87 117.16 107.89 1iru n TYR 169 Ca 0.01 -0.43 -0.30 0.00 -0.01 0.00 0.00 57.90 57.17 1iru n TYR 169 Cb 0.29 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.45 1iru n TYR 169 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1iru s SER 170 N -1.04 2.80 0.00 7.72 0.01 -1.11 0.13 113.70 122.21 1iru s SER 170 Ca 0.45 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1iru s SER 170 Cb 0.23 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1iru s SER 170 CO 0.31 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.82 1iru n GLY 171 N 2.75 -0.62 3.69 3.44 0.00 -1.26 -4.46 105.19 108.73 1iru n GLY 171 Ca -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1iru n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 172 N 0.00 1.60 3.62 -0.02 0.00 -1.26 -1.38 105.19 107.75 1iru n GLY 172 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1iru n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 173 N -1.98 3.13 -0.25 4.61 0.00 -1.26 -1.15 121.76 124.85 1iru s ALA 173 Ca 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 1iru s ALA 173 Cb 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1iru s ALA 173 CO 0.00 0.24 -0.01 0.08 0.00 0.00 0.00 175.76 176.07 1iru s VAL 174 N -2.37 3.40 0.09 0.00 1.01 0.22 -2.91 120.40 119.84 1iru s VAL 174 Ca 0.32 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1iru s VAL 174 Cb -0.05 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 1iru s VAL 174 CO 0.19 0.25 0.46 0.20 0.00 0.00 0.00 175.10 176.20 1iru s ASN 175 N 1.44 6.75 -0.03 3.32 0.01 -0.37 -1.77 114.94 124.29 1iru s ASN 175 Ca 0.03 0.94 -0.01 0.00 -0.71 0.00 0.00 52.86 53.11 1iru s ASN 175 Cb -0.16 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.29 1iru s ASN 175 CO -0.02 0.18 0.07 -0.22 -1.51 0.00 0.00 177.10 175.60 1iru s LEU 176 N -1.75 1.17 0.10 0.60 2.96 -0.69 -1.81 118.68 119.26 1iru s LEU 176 Ca 0.33 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.44 1iru s LEU 176 Cb -0.15 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.65 1iru s LEU 176 CO 0.18 -0.10 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.64 1iru s TYR 177 N 0.81 1.39 -0.08 5.38 1.51 0.86 -1.80 117.35 125.41 1iru s TYR 177 Ca -0.06 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1iru s TYR 177 Cb -0.09 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1iru s TYR 177 CO -0.03 0.12 -0.10 -1.58 -1.11 0.00 0.00 175.55 172.85 1iru s HIS 178 N -1.68 1.43 -0.44 2.71 2.46 -0.15 -1.60 115.29 118.03 1iru s HIS 178 Ca 0.05 -0.59 -0.14 0.00 0.47 0.00 0.00 55.06 54.85 1iru s HIS 178 Cb -0.07 -1.10 0.05 0.00 -0.13 0.00 0.00 32.58 31.33 1iru s HIS 178 CO 0.03 -0.35 0.33 0.08 -2.47 0.00 0.00 174.74 172.36 1iru s VAL 179 N 1.01 5.01 0.17 0.89 1.01 -0.09 0.63 120.40 129.03 1iru s VAL 179 Ca -0.08 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 60.98 1iru s VAL 179 Cb -0.15 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1iru s VAL 179 CO -0.00 -0.45 0.09 -0.13 0.00 0.00 0.00 175.10 174.60 1iru s ARG 180 N 1.61 2.74 0.35 2.72 0.52 0.30 -2.73 118.95 124.46 1iru s ARG 180 Ca 0.04 -0.96 0.18 0.00 -0.52 0.00 0.00 55.73 54.47 1iru s ARG 180 Cb -0.22 -2.55 1.23 0.00 0.52 0.00 0.00 34.95 33.93 1iru s ARG 180 CO 0.07 0.47 1.53 -1.91 0.02 0.00 0.00 175.30 175.48 1iru n GLU 181 N -0.30 -0.06 0.15 3.54 2.13 -1.26 -1.17 120.64 123.67 1iru n GLU 181 Ca -0.09 1.35 -0.07 0.00 0.66 0.00 0.00 57.16 59.02 1iru n GLU 181 Cb 0.55 -2.39 -0.03 0.00 0.27 0.00 0.00 31.44 29.84 1iru n GLU 181 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1iru h ASP 182 N 0.00 -0.39 -1.35 4.31 -0.00 -1.96 -3.47 116.42 113.56 1iru h ASP 182 Ca 0.79 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.83 1iru h ASP 182 Cb 2.04 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 41.47 1iru h ASP 182 CO -0.77 0.03 0.05 0.61 -0.00 0.00 0.00 179.24 179.16 1iru n GLY 183 N 0.58 1.78 3.93 7.15 0.00 -0.31 -4.87 105.19 113.44 1iru n GLY 183 Ca -0.06 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1iru n GLY 183 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1iru s TRP 184 N -7.63 3.49 0.01 1.61 1.48 -1.16 -0.54 118.94 116.21 1iru s TRP 184 Ca 0.03 0.20 0.06 0.00 -1.06 0.00 0.00 56.10 55.33 1iru s TRP 184 Cb -0.01 -1.73 -0.02 0.00 -1.16 0.00 0.00 33.47 30.55 1iru s TRP 184 CO 0.02 0.51 -0.19 0.42 -4.06 0.00 0.00 176.95 173.65 1iru s ILE 185 N -1.70 1.49 -1.06 0.66 1.01 0.20 -4.93 121.20 116.88 1iru s ILE 185 Ca 0.35 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1iru s ILE 185 Cb -0.12 -1.27 0.13 0.00 0.01 0.00 0.00 42.46 41.21 1iru s ILE 185 CO 0.28 0.28 1.31 -0.60 0.00 0.00 0.00 174.94 176.21 1iru s ARG 186 N -0.80 3.79 0.00 2.79 3.52 -1.26 -0.98 118.95 126.01 1iru s ARG 186 Ca 0.07 -1.98 0.00 0.00 -0.13 0.00 0.00 55.73 53.68 1iru s ARG 186 Cb -0.08 -5.06 0.00 0.00 -1.56 0.00 0.00 34.95 28.25 1iru s ARG 186 CO 0.00 -1.85 0.69 0.28 -0.81 0.00 0.00 175.30 173.61 1iru n VAL 187 N 5.42 0.00 -4.25 7.11 0.31 -0.74 -4.92 118.33 121.25 1iru n VAL 187 Ca 0.31 1.19 -0.17 0.00 -0.01 0.00 0.00 64.34 65.66 1iru n VAL 187 Cb 0.47 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.47 1iru n VAL 187 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1iru s SER 188 N -2.69 1.12 -0.35 4.52 1.04 -1.15 -5.01 113.70 111.19 1iru s SER 188 Ca 0.00 -1.62 0.06 0.00 0.48 0.00 0.00 55.95 54.87 1iru s SER 188 Cb 0.00 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.81 1iru s SER 188 CO 0.00 -0.99 0.64 -0.44 0.98 0.00 0.00 173.24 173.42 1iru s SER 189 N -3.29 -1.52 -0.05 7.02 0.01 -1.26 -1.70 113.70 112.91 1iru s SER 189 Ca 0.40 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.45 1iru s SER 189 Cb 0.04 1.94 -0.01 0.00 0.21 0.00 0.00 66.02 68.19 1iru s SER 189 CO 0.22 -0.22 -0.25 -1.81 0.41 0.00 0.00 173.24 171.59 1iru s ASP 190 N 2.35 3.01 0.92 2.44 1.11 -0.73 -4.88 116.67 120.89 1iru s ASP 190 Ca 0.13 -0.49 -0.11 0.00 0.18 0.00 0.00 52.55 52.26 1iru s ASP 190 Cb -0.07 -0.68 0.11 0.00 1.07 0.00 0.00 42.92 43.36 1iru s ASP 190 CO -0.17 0.26 0.94 -3.20 1.18 0.00 0.00 175.17 174.18 1iru n ASN 191 N 2.80 -0.30 0.09 0.27 2.85 -1.26 0.72 115.26 120.43 1iru n ASN 191 Ca -0.17 0.41 -0.03 0.00 -0.11 0.00 0.00 54.58 54.68 1iru n ASN 191 Cb 0.52 -1.40 -0.06 0.00 1.24 0.00 0.00 39.78 40.07 1iru n ASN 191 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1iru h VAL 192 N -1.70 1.36 0.06 3.44 2.07 -1.47 -2.71 116.25 117.30 1iru h VAL 192 Ca -0.43 -2.93 0.02 0.00 0.82 0.00 0.00 66.70 64.18 1iru h VAL 192 Cb 1.28 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.70 1iru h VAL 192 CO 0.40 0.78 -0.16 0.00 0.02 0.00 0.00 177.57 178.60 1iru h ALA 193 N 1.21 -0.24 0.88 1.67 0.00 -1.91 -1.41 119.26 119.47 1iru h ALA 193 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 193 Cb 1.61 0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.67 1iru h ALA 193 CO 0.10 -0.67 -0.42 -0.44 0.00 0.00 0.00 179.25 177.82 1iru h ASP 194 N -0.29 -1.00 -0.82 0.00 3.32 -1.93 -2.67 116.42 113.03 1iru h ASP 194 Ca 0.03 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.35 1iru h ASP 194 Cb 0.33 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1iru h ASP 194 CO -0.11 -0.71 0.98 -0.07 -1.72 0.00 0.00 179.24 177.60 1iru h LEU 195 N -1.20 0.00 0.02 1.55 3.38 -1.33 0.36 115.31 118.09 1iru h LEU 195 Ca -0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1iru h LEU 195 Cb 0.91 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1iru h LEU 195 CO 0.20 0.00 -0.42 -0.74 0.09 0.00 0.00 178.44 177.57 1iru h HIS 196 N 0.00 0.37 0.00 1.13 2.76 -0.91 -2.32 115.15 116.18 1iru h HIS 196 Ca 0.39 -0.22 -0.30 0.00 -2.20 0.00 0.00 60.37 58.03 1iru h HIS 196 Cb 2.34 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 31.21 1iru h HIS 196 CO 0.00 1.06 0.65 0.39 -1.30 0.00 0.00 177.93 178.73 1iru n GLU 197 N -4.37 2.38 0.02 5.26 1.02 0.13 -2.64 120.64 122.43 1iru n GLU 197 Ca -0.11 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.76 1iru n GLU 197 Cb 0.60 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1iru n GLU 197 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1iru n LYS 198 N 2.78 0.00 0.23 3.49 4.81 -1.23 -4.44 118.16 123.79 1iru n LYS 198 Ca 0.51 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 58.11 1iru n LYS 198 Cb 0.74 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.52 1iru n LYS 198 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1iru h TYR 199 N 0.00 0.00 0.00 5.64 -1.99 -1.28 -3.30 116.97 116.04 1iru h TYR 199 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1iru h TYR 199 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1iru h TYR 199 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.61 1iru n SER 200 N -2.69 0.00 0.00 3.88 2.88 -1.08 -5.10 113.62 111.50 1iru n SER 200 Ca -0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1iru n SER 200 Cb 0.18 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.15 1iru n SER 200 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42