#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s GLU 2 N 0.00 4.20 -0.05 2.12 2.02 -1.26 -4.89 118.70 120.85 1iru s GLU 2 Ca 0.00 2.42 0.06 0.00 0.02 0.00 0.00 54.97 57.46 1iru s GLU 2 Cb 0.00 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 1iru s GLU 2 CO 0.00 -0.52 -0.22 -0.47 0.02 0.00 0.00 175.26 174.07 1iru s TYR 3 N 0.09 2.14 -0.02 1.61 5.04 -1.26 -4.11 117.35 120.84 1iru s TYR 3 Ca 0.62 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 1iru s TYR 3 Cb -0.44 -1.41 0.01 0.00 0.35 0.00 0.00 41.96 40.46 1iru s TYR 3 CO 0.44 -0.18 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.92 1iru s LEU 4 N -0.13 1.68 -0.01 6.97 1.43 -0.78 -2.89 118.68 124.96 1iru s LEU 4 Ca -0.03 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1iru s LEU 4 Cb -0.12 -0.30 -0.00 0.00 0.03 0.00 0.00 46.19 45.80 1iru s LEU 4 CO 0.03 0.00 0.07 -0.51 0.23 0.00 0.00 176.35 176.17 1iru s ILE 5 N 0.35 0.05 -0.11 -0.59 2.07 -0.38 -0.76 121.20 121.83 1iru s ILE 5 Ca -0.04 -0.43 -0.08 0.00 -1.41 0.00 0.00 60.65 58.69 1iru s ILE 5 Cb -0.07 -0.25 0.03 0.00 0.13 0.00 0.00 42.46 42.30 1iru s ILE 5 CO -0.00 -0.24 0.27 -0.83 -1.91 0.00 0.00 174.94 172.23 1iru s GLY 6 N -0.76 -0.19 -0.11 1.50 0.00 -0.53 -0.35 107.32 106.88 1iru s GLY 6 Ca -0.08 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1iru s GLY 6 CO 0.00 0.91 -0.12 -0.42 0.00 0.00 0.00 173.10 173.47 1iru s ILE 7 N 0.56 1.27 -0.12 0.90 1.01 0.13 -1.31 121.20 123.64 1iru s ILE 7 Ca -0.03 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1iru s ILE 7 Cb -0.05 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1iru s ILE 7 CO -0.03 0.40 0.39 -1.58 0.00 0.00 0.00 174.94 174.12 1iru s GLN 8 N 1.24 4.25 0.00 2.79 0.74 0.37 -0.48 119.66 128.58 1iru s GLN 8 Ca -0.03 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1iru s GLN 8 Cb -0.14 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1iru s GLN 8 CO -0.04 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 1iru n GLY 9 N 3.13 2.47 0.16 2.59 0.00 0.47 -4.86 105.19 109.14 1iru n GLY 9 Ca -0.10 -2.10 0.05 0.00 0.00 0.00 0.00 46.02 43.87 1iru n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iru h PRO 10 N 0.00 0.00 0.00 1.61 0.13 -1.78 -3.38 132.00 128.58 1iru h PRO 10 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iru h PRO 10 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1iru h PRO 10 CO 0.00 0.35 0.00 -0.40 -0.23 0.00 0.00 178.00 177.72 1iru n ASP 11 N -3.16 0.47 -2.49 1.44 5.68 -1.26 -4.60 116.55 112.63 1iru n ASP 11 Ca 0.02 -1.15 -0.09 0.00 -0.50 0.00 0.00 54.79 53.06 1iru n ASP 11 Cb 0.68 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1iru n ASP 11 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iru n TYR 12 N -0.08 -1.64 -3.69 2.11 0.18 -1.26 -4.31 117.16 108.48 1iru n TYR 12 Ca 0.00 -1.66 -0.13 0.00 1.88 0.00 0.00 57.90 57.98 1iru n TYR 12 Cb 0.29 0.58 -0.13 0.00 -0.38 0.00 0.00 39.34 39.70 1iru n TYR 12 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1iru s VAL 13 N -2.53 -0.27 -0.13 -3.48 1.01 -0.40 -0.40 120.40 114.20 1iru s VAL 13 Ca 0.18 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1iru s VAL 13 Cb -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1iru s VAL 13 CO 0.13 0.10 0.04 -0.22 0.00 0.00 0.00 175.10 175.15 1iru s LEU 14 N 1.99 3.77 0.02 3.92 2.96 0.37 -1.36 118.68 130.36 1iru s LEU 14 Ca -0.03 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1iru s LEU 14 Cb -0.11 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1iru s LEU 14 CO -0.09 0.29 -0.03 0.68 -1.32 0.00 0.00 176.35 175.89 1iru s VAL 15 N -0.35 0.12 0.09 1.68 -7.23 -0.08 0.22 120.40 114.85 1iru s VAL 15 Ca 0.08 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.19 1iru s VAL 15 Cb -0.12 -0.30 0.02 0.00 0.56 0.00 0.00 36.38 36.53 1iru s VAL 15 CO 0.02 -0.51 0.29 0.00 -0.31 0.00 0.00 175.10 174.59 1iru s ALA 16 N -1.53 -0.58 0.11 1.32 0.00 0.52 -1.36 121.76 120.24 1iru s ALA 16 Ca -0.15 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 1iru s ALA 16 Cb -0.09 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1iru s ALA 16 CO -0.01 -0.54 0.33 -1.54 0.00 0.00 0.00 175.76 174.01 1iru s SER 17 N -2.66 -0.13 0.93 0.00 1.04 -0.78 -1.24 113.70 110.86 1iru s SER 17 Ca 0.02 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1iru s SER 17 Cb 0.03 0.43 0.17 0.00 0.10 0.00 0.00 66.02 66.74 1iru s SER 17 CO -0.10 -0.80 1.26 1.51 0.98 0.00 0.00 173.24 176.09 1iru s ASP 18 N -2.78 3.37 -0.13 7.02 -4.77 -1.14 -0.21 116.67 118.03 1iru s ASP 18 Ca 0.03 0.49 0.15 0.00 -3.30 0.00 0.00 52.55 49.91 1iru s ASP 18 Cb 0.03 -0.71 0.34 0.00 -1.09 0.00 0.00 42.92 41.49 1iru s ASP 18 CO -0.11 -2.59 1.17 0.54 0.70 0.00 0.00 175.17 174.88 1iru n ARG 19 N -3.71 1.09 -3.92 2.11 1.74 -1.12 -4.48 116.66 108.37 1iru n ARG 19 Ca 0.12 -2.66 -0.36 0.00 -0.77 0.00 0.00 57.85 54.18 1iru n ARG 19 Cb 0.60 -1.22 -0.07 0.00 -1.02 0.00 0.00 32.46 30.75 1iru n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iru s VAL 20 N -2.31 5.35 -0.43 1.55 1.01 -1.26 -0.36 120.40 123.95 1iru s VAL 20 Ca 0.32 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1iru s VAL 20 Cb 0.31 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 33.47 1iru s VAL 20 CO -0.05 0.59 0.20 0.00 0.00 0.00 0.00 175.10 175.84 1iru s ALA 21 N -0.80 3.16 0.42 5.51 0.00 -1.15 -4.88 121.76 124.02 1iru s ALA 21 Ca 0.14 -2.76 -0.11 0.00 0.00 0.00 0.00 51.96 49.23 1iru s ALA 21 Cb -0.12 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 1iru s ALA 21 CO 0.03 -1.84 0.80 0.00 0.00 0.00 0.00 175.76 174.75 1iru s ALA 22 N 0.66 3.32 -0.30 0.00 0.00 -1.26 -0.12 121.76 124.06 1iru s ALA 22 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1iru s ALA 22 Cb -0.22 -2.75 0.17 0.00 0.00 0.00 0.00 23.12 20.32 1iru s ALA 22 CO -0.05 -0.06 0.73 0.45 0.00 0.00 0.00 175.76 176.83 1iru s SER 23 N -3.21 -1.09 1.59 0.00 0.15 -0.74 -4.86 113.70 105.55 1iru s SER 23 Ca 0.52 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1iru s SER 23 Cb -0.10 2.02 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 1iru s SER 23 CO 0.32 -0.20 0.00 -3.20 1.20 0.00 0.00 173.24 171.36 1iru n ASN 24 N 5.39 0.00 -0.57 5.45 5.15 -1.26 -2.26 115.26 127.16 1iru n ASN 24 Ca -0.06 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.00 1iru n ASN 24 Cb 0.51 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.81 1iru n ASN 24 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1iru n ILE 25 N 0.00 0.00 -4.29 -1.44 -5.35 -1.26 -5.01 119.36 102.02 1iru n ILE 25 Ca 0.00 -0.45 -0.29 0.00 -0.27 0.00 0.00 62.75 61.74 1iru n ILE 25 Cb 0.00 1.30 -0.11 0.00 -1.74 0.00 0.00 39.64 39.09 1iru n ILE 25 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1iru s VAL 26 N -1.56 2.99 -0.29 7.28 -7.23 -0.96 -5.08 120.40 115.55 1iru s VAL 26 Ca 0.18 -1.49 -0.27 0.00 -1.81 0.00 0.00 61.98 58.59 1iru s VAL 26 Cb 0.14 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1iru s VAL 26 CO 0.27 0.07 0.96 -1.58 -0.31 0.00 0.00 175.10 174.52 1iru s GLN 27 N -2.26 4.09 0.06 4.82 -0.44 -1.26 -1.79 119.66 122.88 1iru s GLN 27 Ca 0.20 0.98 0.24 0.00 -2.50 0.00 0.00 55.36 54.28 1iru s GLN 27 Cb -0.10 -3.71 0.31 0.00 -1.64 0.00 0.00 33.01 27.88 1iru s GLN 27 CO 0.12 -0.75 1.27 -1.33 0.50 0.00 0.00 175.29 175.10 1iru n MET 28 N 6.49 0.20 -3.73 1.67 2.81 0.83 -4.85 117.12 120.53 1iru n MET 28 Ca 0.09 0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.88 1iru n MET 28 Cb 0.47 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 31.24 1iru n MET 28 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1iru s LYS 29 N -3.12 0.13 0.09 0.03 2.20 -1.21 -4.97 119.74 112.89 1iru s LYS 29 Ca 0.07 0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1iru s LYS 29 Cb 0.15 -0.16 -0.26 0.00 -1.51 0.00 0.00 37.83 36.05 1iru s LYS 29 CO 0.74 -0.18 1.17 -0.44 -0.36 0.00 0.00 175.35 176.28 1iru h ASP 30 N 7.31 0.27 -2.24 1.43 5.19 -1.89 -3.05 116.42 123.45 1iru h ASP 30 Ca -0.40 -0.30 -0.60 0.00 -0.62 0.00 0.00 57.03 55.11 1iru h ASP 30 Cb 1.14 -0.09 -0.42 0.00 0.18 0.00 0.00 39.33 40.15 1iru h ASP 30 CO 0.38 1.24 -0.63 -0.90 -3.12 0.00 0.00 179.24 176.21 1iru n ASP 31 N -3.46 3.45 -4.82 6.45 3.85 -1.21 -4.53 116.55 116.27 1iru n ASP 31 Ca -0.06 -3.37 -0.38 0.00 -0.71 0.00 0.00 54.79 50.27 1iru n ASP 31 Cb 1.00 -0.67 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 1iru n ASP 31 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 1iru s HIS 32 N -2.31 3.68 -0.26 2.11 2.46 0.51 -5.03 115.29 116.45 1iru s HIS 32 Ca 0.39 0.92 -0.04 0.00 0.47 0.00 0.00 55.06 56.79 1iru s HIS 32 Cb 0.14 -2.30 0.01 0.00 -0.13 0.00 0.00 32.58 30.30 1iru s HIS 32 CO -0.03 0.57 0.01 0.34 -2.47 0.00 0.00 174.74 173.16 1iru s ASP 33 N -0.77 4.70 0.00 9.88 -1.08 -1.26 -4.02 116.67 124.11 1iru s ASP 33 Ca 0.23 -0.71 0.31 0.00 -0.52 0.00 0.00 52.55 51.86 1iru s ASP 33 Cb -0.16 -1.78 1.65 0.00 -1.46 0.00 0.00 42.92 41.17 1iru s ASP 33 CO 0.12 -0.14 2.08 0.29 0.52 0.00 0.00 175.17 178.04 1iru n LYS 34 N 4.78 1.18 -4.04 4.34 4.01 -1.26 -4.90 118.16 122.27 1iru n LYS 34 Ca -0.16 -0.28 -0.34 0.00 -0.51 0.00 0.00 58.31 57.02 1iru n LYS 34 Cb 0.48 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.44 1iru n LYS 34 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1iru s MET 35 N -2.01 3.22 -0.05 1.97 -1.94 -1.26 -1.89 119.30 117.33 1iru s MET 35 Ca 0.45 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 54.09 1iru s MET 35 Cb 0.22 -2.97 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1iru s MET 35 CO 0.36 0.68 -0.16 -0.06 -0.01 0.00 0.00 175.02 175.83 1iru s PHE 36 N -1.17 1.67 -0.27 -0.03 0.40 -0.49 -4.95 117.98 113.13 1iru s PHE 36 Ca 0.22 -0.53 -0.26 0.00 -0.60 0.00 0.00 56.93 55.76 1iru s PHE 36 Cb -0.12 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.26 1iru s PHE 36 CO 0.13 -0.21 0.90 0.15 0.70 0.00 0.00 175.22 176.89 1iru s LYS 37 N 0.22 4.11 -0.24 0.44 3.01 -1.26 -0.75 119.74 125.28 1iru s LYS 37 Ca -0.08 0.94 -0.11 0.00 -1.01 0.00 0.00 55.97 55.72 1iru s LYS 37 Cb -0.13 -3.68 -0.10 0.00 -1.01 0.00 0.00 37.83 32.90 1iru s LYS 37 CO 0.03 -0.65 -0.30 -1.33 0.51 0.00 0.00 175.35 173.61 1iru n MET 38 N 6.28 0.50 -0.64 1.68 2.81 -0.93 -4.95 117.12 121.87 1iru n MET 38 Ca 0.07 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1iru n MET 38 Cb 0.47 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 1iru n MET 38 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1iru n SER 39 N -3.98 0.90 0.08 7.83 7.64 -1.21 -4.44 113.62 120.44 1iru n SER 39 Ca -0.46 -0.32 0.12 0.00 1.01 0.00 0.00 58.87 59.22 1iru n SER 39 Cb 0.84 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.10 1iru n SER 39 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1iru h GLU 40 N 0.00 0.00 0.00 1.43 4.39 -1.97 -3.33 114.58 115.10 1iru h GLU 40 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1iru h GLU 40 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1iru h GLU 40 CO 0.00 0.00 -0.30 1.63 -1.16 0.00 0.00 179.01 179.18 1iru n LYS 41 N -2.42 1.08 -3.83 2.33 4.76 -1.26 -3.11 118.16 115.70 1iru n LYS 41 Ca 0.01 -2.51 -0.13 0.00 -2.87 0.00 0.00 58.31 52.82 1iru n LYS 41 Cb 0.50 -1.27 -0.14 0.00 -1.84 0.00 0.00 35.03 32.29 1iru n LYS 41 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1iru s ILE 42 N -2.33 -0.01 0.04 -0.18 1.01 -1.25 -0.36 121.20 118.12 1iru s ILE 42 Ca 0.29 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.02 1iru s ILE 42 Cb 0.27 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.60 1iru s ILE 42 CO -0.02 0.02 -0.12 -0.76 0.00 0.00 0.00 174.94 174.06 1iru s LEU 43 N 0.27 2.20 -0.23 2.97 1.43 0.32 -2.20 118.68 123.44 1iru s LEU 43 Ca -0.02 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1iru s LEU 43 Cb -0.03 -0.44 0.05 0.00 0.03 0.00 0.00 46.19 45.80 1iru s LEU 43 CO -0.01 -0.05 -0.09 -0.22 0.23 0.00 0.00 176.35 176.21 1iru s LEU 44 N -1.28 2.67 -0.32 1.79 2.96 0.07 -1.73 118.68 122.85 1iru s LEU 44 Ca -0.02 -1.11 -0.20 0.00 -0.22 0.00 0.00 54.13 52.58 1iru s LEU 44 Cb -0.08 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 1iru s LEU 44 CO 0.01 -0.18 0.62 -0.76 -1.32 0.00 0.00 176.35 174.72 1iru s LEU 45 N 1.31 4.18 -0.07 -0.68 2.01 0.44 -1.40 118.68 124.47 1iru s LEU 45 Ca -0.05 0.34 0.03 0.00 0.01 0.00 0.00 54.13 54.46 1iru s LEU 45 Cb -0.18 -2.79 0.01 0.00 0.01 0.00 0.00 46.19 43.23 1iru s LEU 45 CO -0.07 -0.51 -0.16 0.00 1.01 0.00 0.00 176.35 176.62 1iru s VAL 47 N 0.46 0.47 0.00 0.00 1.01 -0.42 -4.84 120.40 117.08 1iru s VAL 47 Ca -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1iru s VAL 47 Cb -0.16 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1iru s VAL 47 CO 0.05 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1iru n GLY 48 N 0.11 0.02 3.79 4.51 0.00 -1.26 0.04 105.19 112.40 1iru n GLY 48 Ca -0.14 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 1iru n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iru s GLU 49 N -1.63 4.42 0.11 1.61 2.12 -0.79 -4.91 118.70 119.64 1iru s GLU 49 Ca 0.00 1.30 -0.11 0.00 0.36 0.00 0.00 54.97 56.52 1iru s GLU 49 Cb 0.00 -2.59 0.09 0.00 0.26 0.00 0.00 34.13 31.89 1iru s GLU 49 CO 0.00 0.13 0.82 0.00 -0.54 0.00 0.00 175.26 175.67 1iru n ALA 50 N 0.13 -0.13 -0.09 6.30 0.00 -1.26 -2.30 120.51 123.16 1iru n ALA 50 Ca 0.04 0.51 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 1iru n ALA 50 Cb 0.51 -0.20 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 1iru n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iru n GLY 51 N -1.22 -0.98 0.37 0.00 0.00 -1.26 -4.51 105.19 97.58 1iru n GLY 51 Ca 0.04 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1iru n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iru h ASP 52 N 0.00 0.84 0.05 1.61 5.19 -1.80 -2.30 116.42 120.00 1iru h ASP 52 Ca -0.51 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1iru h ASP 52 Cb 2.21 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.59 1iru h ASP 52 CO 0.03 0.46 -0.02 0.71 -3.12 0.00 0.00 179.24 177.30 1iru h THR 53 N 0.90 0.00 0.18 0.35 1.35 -1.72 -1.53 112.91 112.45 1iru h THR 53 Ca 0.46 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 1iru h THR 53 Cb 0.51 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.90 1iru h THR 53 CO -0.22 0.00 -0.42 0.58 -0.25 0.00 0.00 175.52 175.20 1iru h VAL 54 N -0.07 0.00 -1.00 6.82 2.07 -1.82 0.59 116.25 122.84 1iru h VAL 54 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1iru h VAL 54 Cb 0.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.68 1iru h VAL 54 CO 0.01 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.13 1iru n GLN 55 N -4.89 -0.32 0.18 1.57 1.13 -0.87 -0.79 117.38 113.39 1iru n GLN 55 Ca -0.08 1.52 -0.14 0.00 -1.94 0.00 0.00 57.00 56.36 1iru n GLN 55 Cb 0.34 -2.25 -0.08 0.00 0.11 0.00 0.00 30.24 28.36 1iru n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1iru h PHE 56 N 0.00 -0.42 -0.42 1.08 3.57 -1.08 -1.98 116.94 117.69 1iru h PHE 56 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1iru h PHE 56 Cb 0.51 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 1iru h PHE 56 CO -0.94 -0.13 -0.33 0.00 -2.23 0.00 0.00 178.31 174.68 1iru h ALA 57 N -0.09 -0.17 -0.13 2.41 0.00 -0.19 0.47 119.26 121.57 1iru h ALA 57 Ca -0.05 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 57 Cb 0.47 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1iru h ALA 57 CO 0.08 -0.72 -0.12 0.93 0.00 0.00 0.00 179.25 179.41 1iru h GLU 58 N -0.24 0.20 -0.15 0.00 5.08 -0.99 0.20 114.58 118.68 1iru h GLU 58 Ca 0.18 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1iru h GLU 58 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1iru h GLU 58 CO -0.55 0.33 0.02 -0.92 -1.00 0.00 0.00 179.01 176.89 1iru h TYR 59 N 0.19 0.27 -0.16 4.33 3.20 -0.24 0.29 116.97 124.84 1iru h TYR 59 Ca 0.04 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1iru h TYR 59 Cb 0.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1iru h TYR 59 CO 0.00 0.42 -0.31 0.82 -1.64 0.00 0.00 178.16 177.46 1iru h ILE 60 N 0.03 1.27 0.00 1.81 1.08 -0.51 -2.61 117.51 118.57 1iru h ILE 60 Ca 0.05 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1iru h ILE 60 Cb 0.30 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1iru h ILE 60 CO 0.00 0.40 0.00 1.67 -0.69 0.00 0.00 178.15 179.53 1iru n GLN 61 N -4.10 0.00 -0.08 2.37 7.27 0.67 -1.80 117.38 121.71 1iru n GLN 61 Ca -0.01 0.35 0.26 0.00 0.07 0.00 0.00 57.00 57.67 1iru n GLN 61 Cb 0.42 -1.35 0.67 0.00 2.41 0.00 0.00 30.24 32.39 1iru n GLN 61 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1iru h LYS 62 N 0.00 0.00 0.00 3.69 6.56 -0.50 0.32 116.57 126.64 1iru h LYS 62 Ca 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1iru h LYS 62 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1iru h LYS 62 CO 0.00 0.00 -0.44 -0.91 -2.06 0.00 0.00 179.45 176.04 1iru h ASN 63 N 0.00 0.00 0.09 0.86 2.35 -1.34 -0.85 115.58 116.69 1iru h ASN 63 Ca 0.35 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.89 1iru h ASN 63 Cb 1.82 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.22 1iru h ASN 63 CO -0.00 0.44 -0.91 0.58 -1.65 0.00 0.00 177.43 175.89 1iru h VAL 64 N 0.00 1.40 -0.45 2.81 2.07 0.40 -2.84 116.25 119.64 1iru h VAL 64 Ca -0.00 -2.36 0.01 0.00 0.82 0.00 0.00 66.70 65.17 1iru h VAL 64 Cb 1.30 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 33.85 1iru h VAL 64 CO 0.06 0.69 0.28 1.56 0.02 0.00 0.00 177.57 180.18 1iru h GLN 65 N -0.04 0.55 -1.00 1.57 1.08 -1.28 -1.51 115.11 114.47 1iru h GLN 65 Ca -0.14 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1iru h GLN 65 Cb 1.64 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.87 1iru h GLN 65 CO 0.17 0.36 0.64 1.25 -0.95 0.00 0.00 178.83 180.31 1iru h LEU 66 N 0.57 0.97 -1.06 1.46 5.85 -1.19 0.11 115.31 122.01 1iru h LEU 66 Ca 0.17 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1iru h LEU 66 Cb -0.02 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1iru h LEU 66 CO -0.06 0.56 0.64 0.22 -0.34 0.00 0.00 178.44 179.45 1iru h TYR 67 N 1.07 1.20 0.21 1.25 3.20 -1.04 -1.13 116.97 121.74 1iru h TYR 67 Ca 0.47 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.36 1iru h TYR 67 Cb 0.36 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1iru h TYR 67 CO -0.00 0.74 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.94 1iru h LYS 68 N 1.28 -0.27 0.00 1.82 3.64 -0.30 -1.80 116.57 120.94 1iru h LYS 68 Ca 0.36 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1iru h LYS 68 Cb -0.10 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1iru h LYS 68 CO -0.09 -0.14 -0.12 0.52 -2.27 0.00 0.00 179.45 177.36 1iru h MET 69 N -0.34 0.00 0.02 1.90 2.86 -0.90 0.26 114.93 118.72 1iru h MET 69 Ca -0.03 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 1iru h MET 69 Cb 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1iru h MET 69 CO 0.05 0.12 -1.14 0.00 1.06 0.00 0.00 176.91 177.00 1iru h ARG 70 N 0.00 0.03 -0.00 1.72 3.08 -0.92 -3.38 114.38 114.92 1iru h ARG 70 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1iru h ARG 70 Cb 0.22 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1iru h ARG 70 CO 0.02 0.96 -0.16 0.09 -1.07 0.00 0.00 179.97 179.80 1iru n ASN 71 N -3.33 0.32 0.00 7.04 3.02 -0.70 -5.02 115.26 116.59 1iru n ASN 71 Ca -0.04 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1iru n ASN 71 Cb 0.97 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 41.02 1iru n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iru n GLY 72 N 1.00 2.23 3.77 7.41 0.00 0.90 -4.99 105.19 115.51 1iru n GLY 72 Ca 0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1iru n GLY 72 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iru s TYR 73 N -0.66 3.13 0.79 1.61 -0.85 -1.26 -4.90 117.35 115.22 1iru s TYR 73 Ca 0.00 0.01 -0.12 0.00 -0.52 0.00 0.00 57.07 56.44 1iru s TYR 73 Cb 0.00 -1.54 0.07 0.00 0.38 0.00 0.00 41.96 40.87 1iru s TYR 73 CO 0.00 0.52 1.15 -1.21 -1.52 0.00 0.00 175.55 174.49 1iru s GLU 74 N -2.79 2.10 0.18 -3.49 2.02 -1.26 -4.35 118.70 111.11 1iru s GLU 74 Ca 0.30 0.25 -0.20 0.00 0.02 0.00 0.00 54.97 55.33 1iru s GLU 74 Cb -0.11 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.09 1iru s GLU 74 CO 0.22 -1.52 0.70 -0.51 0.02 0.00 0.00 175.26 174.17 1iru s LEU 75 N -5.58 4.43 0.33 1.80 1.43 -1.26 -5.03 118.68 114.80 1iru s LEU 75 Ca 0.61 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.85 1iru s LEU 75 Cb -0.12 -3.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1iru s LEU 75 CO 0.50 0.12 1.19 -0.94 0.23 0.00 0.00 176.35 177.45 1iru s SER 76 N -1.46 6.88 0.51 2.29 1.04 -1.26 -4.80 113.70 116.90 1iru s SER 76 Ca 0.39 2.43 0.32 0.00 0.48 0.00 0.00 55.95 59.56 1iru s SER 76 Cb -0.18 -2.63 1.44 0.00 0.10 0.00 0.00 66.02 64.74 1iru s SER 76 CO 0.22 -0.43 1.81 1.55 0.98 0.00 0.00 173.24 177.37 1iru h PRO 77 N 3.31 0.09 -0.29 4.02 0.13 -1.89 0.66 132.00 138.03 1iru h PRO 77 Ca -0.48 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1iru h PRO 77 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1iru h PRO 77 CO 0.65 0.06 -0.34 1.15 -0.23 0.00 0.00 178.00 179.29 1iru h THR 78 N 0.09 1.29 0.00 1.56 2.02 -1.96 -2.31 112.91 113.59 1iru h THR 78 Ca 0.55 -1.47 -0.13 0.00 0.77 0.00 0.00 66.41 66.12 1iru h THR 78 Cb 2.00 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 1iru h THR 78 CO -0.08 0.47 -0.64 0.00 0.37 0.00 0.00 175.52 175.65 1iru h ALA 79 N 1.09 0.81 -0.15 6.16 0.00 -0.09 -3.09 119.26 123.99 1iru h ALA 79 Ca 0.06 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1iru h ALA 79 Cb 0.84 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1iru h ALA 79 CO 0.07 0.80 -0.78 0.00 0.00 0.00 0.00 179.25 179.34 1iru h ALA 80 N 1.36 0.29 -0.95 0.00 0.00 -0.98 -2.39 119.26 116.59 1iru h ALA 80 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1iru h ALA 80 Cb 1.23 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1iru h ALA 80 CO 0.08 0.67 0.62 0.00 0.00 0.00 0.00 179.25 180.62 1iru h ALA 81 N 0.54 1.31 0.00 0.00 0.00 -1.41 0.21 119.26 119.91 1iru h ALA 81 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1iru h ALA 81 Cb 1.41 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1iru h ALA 81 CO 0.16 0.63 0.00 -0.91 0.00 0.00 0.00 179.25 179.14 1iru h ASN 82 N 1.29 0.00 0.14 0.00 2.35 -1.52 -0.46 115.58 117.38 1iru h ASN 82 Ca 0.35 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1iru h ASN 82 Cb -0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1iru h ASN 82 CO -0.07 0.00 -0.07 0.15 -1.65 0.00 0.00 177.43 175.79 1iru h PHE 83 N 0.00 -0.17 -0.83 1.19 3.57 -0.57 -2.02 116.94 118.11 1iru h PHE 83 Ca 0.00 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1iru h PHE 83 Cb 0.75 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 1iru h PHE 83 CO 0.00 -0.11 0.56 1.79 -2.23 0.00 0.00 178.31 178.32 1iru h THR 84 N -0.68 0.72 -0.41 4.41 1.35 -0.67 0.15 112.91 117.79 1iru h THR 84 Ca -0.02 -0.13 -0.08 0.00 -0.55 0.00 0.00 66.41 65.63 1iru h THR 84 Cb 0.14 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1iru h THR 84 CO 0.03 0.07 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.24 1iru h ARG 85 N 0.38 0.75 -0.19 4.72 2.43 -1.13 -1.32 114.38 120.02 1iru h ARG 85 Ca 0.42 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1iru h ARG 85 Cb 1.06 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1iru h ARG 85 CO -0.14 0.85 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.04 1iru h ARG 86 N 0.57 0.01 -0.02 0.20 9.65 0.04 0.56 114.38 125.39 1iru h ARG 86 Ca 0.11 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1iru h ARG 86 Cb 0.55 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1iru h ARG 86 CO 0.03 0.00 0.00 -0.91 2.80 0.00 0.00 179.97 181.90 1iru h ASN 87 N 0.01 0.03 -0.84 -3.80 -0.26 -1.24 -0.42 115.58 109.07 1iru h ASN 87 Ca 0.09 -0.29 0.02 0.00 -0.56 0.00 0.00 56.30 55.56 1iru h ASN 87 Cb 0.13 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 1iru h ASN 87 CO -0.19 0.32 0.55 0.25 -1.06 0.00 0.00 177.43 177.30 1iru h LEU 88 N -0.25 0.92 -1.12 1.61 5.85 -1.10 -0.43 115.31 120.79 1iru h LEU 88 Ca 0.01 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1iru h LEU 88 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1iru h LEU 88 CO 0.00 0.65 -0.25 0.00 -0.34 0.00 0.00 178.44 178.50 1iru h ALA 89 N 1.33 1.03 0.00 1.25 0.00 -0.82 -1.78 119.26 120.27 1iru h ALA 89 Ca 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1iru h ALA 89 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1iru h ALA 89 CO -0.09 0.31 -0.49 -0.44 0.00 0.00 0.00 179.25 178.53 1iru h ASP 90 N 0.00 0.00 0.50 0.00 5.19 0.09 -3.21 116.42 118.99 1iru h ASP 90 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iru h ASP 90 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1iru h ASP 90 CO 0.03 0.20 -0.92 0.00 -3.12 0.00 0.00 179.24 175.42 1iru h LEU 92 N 0.00 0.06 -4.06 0.00 5.85 -1.33 -1.26 115.31 114.57 1iru h LEU 92 Ca 0.00 0.09 -0.66 0.00 0.84 0.00 0.00 57.88 58.15 1iru h LEU 92 Cb 0.71 0.12 -0.32 0.00 0.37 0.00 0.00 40.66 41.54 1iru h LEU 92 CO 0.00 0.05 0.56 0.54 -0.34 0.00 0.00 178.44 179.25 1iru n ARG 93 N -5.09 2.88 -1.65 1.25 1.74 -1.26 -4.75 116.66 109.77 1iru n ARG 93 Ca 0.07 -3.49 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 1iru n ARG 93 Cb 0.28 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1iru n ARG 93 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iru n SER 94 N -0.84 1.75 0.13 0.55 3.41 -0.48 -5.02 113.62 113.13 1iru n SER 94 Ca 0.58 -0.88 0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1iru n SER 94 Cb 0.67 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1iru n SER 94 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1iru h ARG 95 N 0.00 0.00 -2.20 4.33 -0.00 -1.92 -3.38 114.38 111.20 1iru h ARG 95 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 59.98 59.38 1iru h ARG 95 Cb 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 29.97 29.55 1iru h ARG 95 CO 0.00 0.09 -0.61 0.25 -0.00 0.00 0.00 179.97 179.71 1iru n THR 96 N -2.88 2.46 -2.58 0.08 -2.24 -1.26 -5.08 114.28 102.77 1iru n THR 96 Ca -0.00 -5.27 -0.34 0.00 -2.27 0.00 0.00 64.05 56.17 1iru n THR 96 Cb 0.60 -1.98 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 1iru n THR 96 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1iru s PRO 97 N -2.64 3.86 -0.20 -0.78 0.04 -1.20 -4.82 135.00 129.25 1iru s PRO 97 Ca 0.41 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 1iru s PRO 97 Cb 0.17 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1iru s PRO 97 CO -0.03 -0.37 0.01 0.71 0.04 0.00 0.00 177.00 177.36 1iru s TYR 98 N -2.00 3.07 -1.17 0.56 1.51 -1.26 -5.02 117.35 113.04 1iru s TYR 98 Ca 0.66 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 56.26 1iru s TYR 98 Cb -0.15 -2.09 0.22 0.00 -0.11 0.00 0.00 41.96 39.83 1iru s TYR 98 CO 0.19 -0.17 1.31 0.72 -1.11 0.00 0.00 175.55 176.48 1iru n HIS 99 N 4.15 5.02 -4.10 2.71 8.25 -1.26 -4.92 115.22 125.07 1iru n HIS 99 Ca -0.17 -3.59 -0.14 0.00 -0.26 0.00 0.00 57.72 53.56 1iru n HIS 99 Cb 0.52 -1.95 -0.12 0.00 1.12 0.00 0.00 29.99 29.56 1iru n HIS 99 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1iru s VAL 100 N 0.15 0.63 -0.03 1.59 -7.23 -1.26 -1.88 120.40 112.37 1iru s VAL 100 Ca 0.37 -1.01 0.07 0.00 -1.81 0.00 0.00 61.98 59.61 1iru s VAL 100 Cb -0.06 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1iru s VAL 100 CO -0.03 -0.29 -0.25 0.20 -0.31 0.00 0.00 175.10 174.42 1iru s ASN 101 N -1.42 2.99 0.21 4.85 0.01 0.11 -3.20 114.94 118.48 1iru s ASN 101 Ca -0.07 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.50 1iru s ASN 101 Cb -0.09 -0.43 -0.00 0.00 0.41 0.00 0.00 41.25 41.13 1iru s ASN 101 CO 0.01 0.30 0.40 -1.48 -1.51 0.00 0.00 177.10 174.82 1iru s LEU 102 N -0.51 0.53 -0.04 0.60 0.05 -0.91 -1.30 118.68 117.11 1iru s LEU 102 Ca 0.07 -0.88 0.04 0.00 0.05 0.00 0.00 54.13 53.41 1iru s LEU 102 Cb -0.11 1.55 -0.00 0.00 -2.05 0.00 0.00 46.19 45.58 1iru s LEU 102 CO -0.00 -1.04 -0.16 -0.76 -0.55 0.00 0.00 176.35 173.84 1iru s LEU 103 N -2.99 1.93 -0.27 1.48 1.43 0.10 -1.07 118.68 119.28 1iru s LEU 103 Ca 0.20 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1iru s LEU 103 Cb 0.01 -0.92 0.07 0.00 0.03 0.00 0.00 46.19 45.38 1iru s LEU 103 CO 0.05 0.16 -0.05 -0.22 0.23 0.00 0.00 176.35 176.51 1iru s LEU 104 N -0.03 3.44 -0.17 1.79 2.96 0.21 0.17 118.68 127.05 1iru s LEU 104 Ca -0.02 -1.51 -0.05 0.00 -0.22 0.00 0.00 54.13 52.33 1iru s LEU 104 Cb -0.10 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1iru s LEU 104 CO 0.02 -0.25 0.00 0.00 -1.32 0.00 0.00 176.35 174.80 1iru s ALA 105 N 1.16 3.14 0.20 5.97 0.00 -0.70 -0.43 121.76 131.09 1iru s ALA 105 Ca -0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1iru s ALA 105 Cb -0.19 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.24 1iru s ALA 105 CO -0.07 0.14 0.53 0.20 0.00 0.00 0.00 175.76 176.56 1iru s GLY 106 N 0.48 -0.08 -0.07 0.00 0.00 -0.44 -0.53 107.32 106.69 1iru s GLY 106 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.50 1iru s GLY 106 CO 0.02 -0.26 -0.14 -0.47 0.00 0.00 0.00 173.10 172.25 1iru s TYR 107 N -3.88 1.64 -0.18 1.90 5.04 0.52 -0.65 117.35 121.74 1iru s TYR 107 Ca 0.10 -0.60 -0.03 0.00 -2.44 0.00 0.00 57.07 54.09 1iru s TYR 107 Cb -0.01 -1.17 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1iru s TYR 107 CO -0.02 -0.29 -0.06 0.34 -1.34 0.00 0.00 175.55 174.19 1iru s ASP 108 N 0.55 4.42 0.00 4.32 2.15 -0.75 -4.76 116.67 122.60 1iru s ASP 108 Ca -0.14 -0.29 -0.03 0.00 0.43 0.00 0.00 52.55 52.52 1iru s ASP 108 Cb -0.16 -1.73 -0.15 0.00 -0.30 0.00 0.00 42.92 40.59 1iru s ASP 108 CO 0.04 0.08 2.36 -1.84 -0.17 0.00 0.00 175.17 175.65 1iru n GLU 109 N 4.10 1.21 0.00 4.34 0.28 -1.26 -0.91 120.64 128.39 1iru n GLU 109 Ca -0.18 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.28 1iru n GLU 109 Cb 0.52 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.68 1iru n GLU 109 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1iru n HIS 110 N 2.47 0.00 -0.02 -1.84 -0.00 -1.26 -4.96 115.22 109.60 1iru n HIS 110 Ca 0.23 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.99 1iru n HIS 110 Cb 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.45 1iru n HIS 110 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1iru n GLU 111 N -0.28 0.82 0.00 1.57 -0.58 -0.98 -5.12 120.64 116.07 1iru n GLU 111 Ca 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1iru n GLU 111 Cb 0.00 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1iru n GLU 111 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iru n GLY 112 N 1.84 -1.79 3.77 0.62 0.00 -0.09 -4.91 105.19 104.63 1iru n GLY 112 Ca -0.08 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1iru n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iru s PRO 113 N 0.00 3.81 -0.10 1.61 0.04 -1.26 -1.81 135.00 137.28 1iru s PRO 113 Ca 0.00 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1iru s PRO 113 Cb 0.00 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.18 1iru s PRO 113 CO 0.00 -0.49 0.26 0.00 0.04 0.00 0.00 177.00 176.81 1iru s ALA 114 N -1.60 -0.65 -0.10 8.56 0.00 0.18 -4.97 121.76 123.18 1iru s ALA 114 Ca 0.63 0.78 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 1iru s ALA 114 Cb -0.26 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1iru s ALA 114 CO 0.32 -0.13 -0.07 -1.17 0.00 0.00 0.00 175.76 174.70 1iru s LEU 115 N 0.28 1.19 0.02 0.00 2.96 -1.26 -1.32 118.68 120.54 1iru s LEU 115 Ca -0.01 -0.27 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1iru s LEU 115 Cb -0.03 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 1iru s LEU 115 CO -0.01 -0.10 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.40 1iru s TYR 116 N 1.56 2.48 0.04 5.38 1.51 0.43 -1.02 117.35 127.73 1iru s TYR 116 Ca 0.02 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1iru s TYR 116 Cb -0.13 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1iru s TYR 116 CO -0.06 0.16 -0.12 -0.47 -1.11 0.00 0.00 175.55 173.95 1iru s TYR 117 N -0.81 2.73 -0.11 2.71 5.04 -0.23 -0.62 117.35 126.06 1iru s TYR 117 Ca 0.13 -0.15 -0.06 0.00 -2.44 0.00 0.00 57.07 54.54 1iru s TYR 117 Cb -0.10 -1.51 0.04 0.00 0.35 0.00 0.00 41.96 40.74 1iru s TYR 117 CO 0.03 0.34 0.27 -1.64 -1.34 0.00 0.00 175.55 173.20 1iru s MET 118 N -1.59 0.25 0.51 4.97 -1.94 -0.24 -2.23 119.30 119.03 1iru s MET 118 Ca 0.17 0.52 -0.19 0.00 -1.71 0.00 0.00 55.69 54.48 1iru s MET 118 Cb -0.11 -0.06 -0.08 0.00 2.01 0.00 0.00 34.83 36.60 1iru s MET 118 CO 0.08 -0.14 1.04 0.34 -0.01 0.00 0.00 175.02 176.33 1iru s ASP 119 N 1.05 6.27 0.05 3.03 -1.08 -1.01 -2.15 116.67 122.82 1iru s ASP 119 Ca -0.07 1.88 0.13 0.00 -0.52 0.00 0.00 52.55 53.97 1iru s ASP 119 Cb -0.08 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.40 1iru s ASP 119 CO -0.07 -0.83 1.42 0.00 0.52 0.00 0.00 175.17 176.20 1iru n TYR 120 N -1.18 0.15 0.93 -5.34 0.18 -1.20 0.18 117.16 110.88 1iru n TYR 120 Ca 0.09 0.06 0.13 0.00 1.88 0.00 0.00 57.90 60.06 1iru n TYR 120 Cb 0.53 -0.60 0.43 0.00 -0.38 0.00 0.00 39.34 39.31 1iru n TYR 120 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1iru n LEU 121 N -1.64 0.32 0.00 -3.48 4.77 -1.26 -4.74 117.00 110.96 1iru n LEU 121 Ca 0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1iru n LEU 121 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1iru n LEU 121 CO 0.11 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.20 1iru n ALA 122 N -1.56 0.00 -2.71 -1.18 0.00 0.13 -4.70 120.51 110.49 1iru n ALA 122 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1iru n ALA 122 Cb 0.36 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1iru n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru s ALA 123 N -2.00 3.22 -0.14 0.00 0.00 -1.25 -4.83 121.76 116.76 1iru s ALA 123 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 1iru s ALA 123 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1iru s ALA 123 CO 0.00 -0.22 -0.13 -1.17 0.00 0.00 0.00 175.76 174.24 1iru s LEU 124 N 1.02 2.69 0.00 0.00 2.96 -1.26 -2.42 118.68 121.67 1iru s LEU 124 Ca 0.48 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1iru s LEU 124 Cb -0.20 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 1iru s LEU 124 CO 0.25 0.14 -0.01 0.00 -1.32 0.00 0.00 176.35 175.40 1iru s ALA 125 N 0.52 0.07 0.17 5.97 0.00 -0.94 -5.02 121.76 122.51 1iru s ALA 125 Ca -0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1iru s ALA 125 Cb -0.16 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 1iru s ALA 125 CO 0.04 -0.02 0.51 0.21 0.00 0.00 0.00 175.76 176.50 1iru s LYS 126 N -0.33 3.85 -0.17 0.00 2.20 -1.26 -1.06 119.74 122.97 1iru s LYS 126 Ca -0.03 0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 1iru s LYS 126 Cb -0.02 -2.82 0.10 0.00 -1.51 0.00 0.00 37.83 33.57 1iru s LYS 126 CO -0.00 0.42 0.85 0.00 -0.36 0.00 0.00 175.35 176.26 1iru s ALA 127 N -1.61 -1.86 0.45 3.13 0.00 -0.19 -4.94 121.76 116.74 1iru s ALA 127 Ca 0.41 1.63 0.11 0.00 0.00 0.00 0.00 51.96 54.11 1iru s ALA 127 Cb -0.13 -0.70 1.00 0.00 0.00 0.00 0.00 23.12 23.29 1iru s ALA 127 CO 0.20 -0.32 2.07 -1.00 0.00 0.00 0.00 175.76 176.71 1iru h PRO 128 N 3.47 0.29 -2.24 0.00 0.13 -1.92 -3.36 132.00 128.37 1iru h PRO 128 Ca -0.25 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1iru h PRO 128 Cb 1.16 -0.06 -0.17 0.00 0.13 0.00 0.00 31.00 32.05 1iru h PRO 128 CO 0.25 0.23 0.24 -0.59 -0.23 0.00 0.00 178.00 177.90 1iru s PHE 129 N -5.20 -0.59 -0.02 1.56 -0.12 -1.26 0.14 117.98 112.49 1iru s PHE 129 Ca -0.07 0.83 -0.29 0.00 -0.05 0.00 0.00 56.93 57.35 1iru s PHE 129 Cb 0.17 0.46 0.11 0.00 -0.63 0.00 0.00 43.02 43.12 1iru s PHE 129 CO 0.71 -0.65 0.92 0.00 -0.05 0.00 0.00 175.22 176.15 1iru s ALA 130 N -1.94 -1.85 0.11 1.99 0.00 -0.42 -5.01 121.76 114.64 1iru s ALA 130 Ca -0.06 1.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 1iru s ALA 130 Cb -0.00 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1iru s ALA 130 CO 0.02 -0.67 0.20 0.00 0.00 0.00 0.00 175.76 175.30 1iru s ALA 131 N -3.03 -0.03 0.03 0.00 0.00 -1.26 -1.46 121.76 116.01 1iru s ALA 131 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1iru s ALA 131 Cb -0.01 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1iru s ALA 131 CO -0.09 -0.54 -0.08 -1.01 0.00 0.00 0.00 175.76 174.04 1iru s HIS 132 N -3.91 0.73 0.00 0.00 3.76 0.06 -4.86 115.29 111.07 1iru s HIS 132 Ca 0.10 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1iru s HIS 132 Cb 0.05 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.29 1iru s HIS 132 CO -0.07 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 1iru n GLY 133 N 1.97 1.12 0.30 -2.22 0.00 -1.26 -1.86 105.19 103.25 1iru n GLY 133 Ca -0.19 -2.07 0.03 0.00 0.00 0.00 0.00 46.02 43.79 1iru n GLY 133 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iru h TYR 134 N 0.00 0.53 -1.00 1.61 0.99 -1.90 -1.75 116.97 115.45 1iru h TYR 134 Ca 0.00 -0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.91 1iru h TYR 134 Cb 0.00 -0.17 -0.11 0.00 1.00 0.00 0.00 36.73 37.45 1iru h TYR 134 CO 0.00 0.39 0.61 0.78 -0.00 0.00 0.00 178.16 179.94 1iru h GLY 135 N 0.64 1.78 0.06 3.88 0.00 -1.88 0.22 103.07 107.78 1iru h GLY 135 Ca 0.14 -0.36 0.21 0.00 0.00 0.00 0.00 47.33 47.32 1iru h GLY 135 CO -0.02 -0.05 0.62 0.00 0.00 0.00 0.00 176.54 177.08 1iru h ALA 136 N 1.64 1.82 -0.63 3.60 0.00 -1.50 0.23 119.26 124.42 1iru h ALA 136 Ca 0.57 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 1iru h ALA 136 Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1iru h ALA 136 CO -0.38 -0.21 0.21 0.74 0.00 0.00 0.00 179.25 179.62 1iru h PHE 137 N 0.65 0.96 0.00 0.00 -1.00 -1.07 -0.49 116.94 115.98 1iru h PHE 137 Ca 0.58 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 61.29 1iru h PHE 137 Cb 1.07 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1iru h PHE 137 CO -0.00 0.76 -0.34 1.28 -1.61 0.00 0.00 178.31 178.40 1iru n LEU 138 N -4.29 0.36 0.00 1.54 4.77 -0.06 -4.44 117.00 114.88 1iru n LEU 138 Ca 0.05 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1iru n LEU 138 Cb 0.20 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1iru n LEU 138 CO 0.40 0.06 -0.35 0.35 -1.33 0.00 0.00 177.39 176.52 1iru n THR 139 N -1.57 0.00 0.23 -5.08 -2.24 -0.45 -4.73 114.28 100.45 1iru n THR 139 Ca 0.06 -0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1iru n THR 139 Cb 0.35 0.55 0.55 0.00 -2.10 0.00 0.00 70.33 69.69 1iru n THR 139 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1iru h LEU 140 N 0.00 0.00 -0.57 3.22 3.38 -1.31 -2.31 115.31 117.72 1iru h LEU 140 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1iru h LEU 140 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1iru h LEU 140 CO 0.00 0.18 -0.50 0.77 0.09 0.00 0.00 178.44 178.98 1iru h SER 141 N 0.00 0.60 0.39 -0.43 4.64 -1.83 -2.02 113.55 114.91 1iru h SER 141 Ca -0.00 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1iru h SER 141 Cb 0.35 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1iru h SER 141 CO 0.02 1.00 -0.22 0.40 -0.87 0.00 0.00 176.83 177.16 1iru h ILE 142 N 0.43 0.55 -0.59 0.95 2.04 -1.71 -0.69 117.51 118.49 1iru h ILE 142 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1iru h ILE 142 Cb 1.03 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1iru h ILE 142 CO 0.09 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.44 1iru h LEU 143 N -0.57 0.34 -1.38 1.44 3.38 -1.46 0.24 115.31 117.29 1iru h LEU 143 Ca -0.05 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1iru h LEU 143 Cb 0.46 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1iru h LEU 143 CO 0.06 0.22 0.48 0.44 0.09 0.00 0.00 178.44 179.72 1iru h ASP 144 N 0.49 0.66 -0.24 -0.43 3.32 -1.11 0.35 116.42 119.45 1iru h ASP 144 Ca 0.28 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1iru h ASP 144 Cb 0.27 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1iru h ASP 144 CO -0.24 0.42 -0.28 -0.09 -1.72 0.00 0.00 179.24 177.33 1iru h ARG 145 N 0.74 0.62 -0.15 3.56 9.65 0.90 -3.36 114.38 126.34 1iru h ARG 145 Ca 0.31 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1iru h ARG 145 Cb 0.27 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1iru h ARG 145 CO -0.10 0.95 0.00 0.66 2.80 0.00 0.00 179.97 184.27 1iru n TYR 146 N -4.32 0.19 -3.10 2.20 4.01 0.45 -5.02 117.16 111.57 1iru n TYR 146 Ca -0.05 -0.27 -0.39 0.00 -0.16 0.00 0.00 57.90 57.03 1iru n TYR 146 Cb 0.46 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1iru n TYR 146 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1iru s TYR 147 N -0.87 3.73 -0.02 -0.72 5.04 0.12 -5.03 117.35 119.59 1iru s TYR 147 Ca 0.14 1.35 0.04 0.00 -2.44 0.00 0.00 57.07 56.16 1iru s TYR 147 Cb 0.08 -2.70 -0.01 0.00 0.35 0.00 0.00 41.96 39.69 1iru s TYR 147 CO 0.12 0.35 -0.15 0.95 -1.34 0.00 0.00 175.55 175.47 1iru s THR 148 N -0.28 1.23 -0.93 4.34 -4.23 -1.26 -4.96 115.64 109.55 1iru s THR 148 Ca 0.34 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1iru s THR 148 Cb -0.20 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1iru s THR 148 CO 0.20 0.35 0.61 -2.65 -0.54 0.00 0.00 174.62 172.59 1iru n PRO 149 N 2.88 0.00 0.00 3.99 -0.02 -1.26 -1.19 135.00 139.40 1iru n PRO 149 Ca -0.16 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1iru n PRO 149 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1iru n PRO 149 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1iru n THR 150 N -1.11 0.18 -1.55 3.45 -2.24 -1.26 -4.30 114.28 107.45 1iru n THR 150 Ca 0.00 -0.57 -0.53 0.00 -2.27 0.00 0.00 64.05 60.68 1iru n THR 150 Cb 0.10 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 1iru n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iru n ILE 151 N -0.09 0.26 -2.93 2.28 3.06 -0.33 -4.78 119.36 116.82 1iru n ILE 151 Ca 0.00 -0.06 -0.28 0.00 -2.50 0.00 0.00 62.75 59.90 1iru n ILE 151 Cb 0.06 -0.55 -0.02 0.00 0.54 0.00 0.00 39.64 39.67 1iru n ILE 151 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1iru s SER 152 N 0.18 6.39 0.30 9.51 1.04 -1.26 -4.46 113.70 125.41 1iru s SER 152 Ca 0.83 0.90 0.15 0.00 0.48 0.00 0.00 55.95 58.32 1iru s SER 152 Cb -1.03 -2.23 0.83 0.00 0.10 0.00 0.00 66.02 63.70 1iru s SER 152 CO 0.51 -0.41 1.40 -2.11 0.98 0.00 0.00 173.24 173.61 1iru n ARG 153 N -1.60 0.10 0.08 4.02 1.85 -1.26 0.32 116.66 120.17 1iru n ARG 153 Ca 0.00 0.58 -0.22 0.00 -1.00 0.00 0.00 57.85 57.22 1iru n ARG 153 Cb 0.55 -2.01 -0.15 0.00 -1.05 0.00 0.00 32.46 29.79 1iru n ARG 153 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1iru h GLU 154 N 0.00 0.39 0.44 2.89 4.11 -1.99 -2.83 114.58 117.59 1iru h GLU 154 Ca 0.00 -0.66 -0.02 0.00 0.07 0.00 0.00 59.36 58.75 1iru h GLU 154 Cb 0.36 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1iru h GLU 154 CO 0.00 1.31 -0.21 0.00 0.07 0.00 0.00 179.01 180.18 1iru h ARG 155 N -0.18 -0.57 -0.49 1.06 2.47 -0.50 -2.97 114.38 113.21 1iru h ARG 155 Ca -0.18 0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.67 1iru h ARG 155 Cb 1.82 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 30.16 1iru h ARG 155 CO 0.20 -0.28 -0.27 0.00 0.56 0.00 0.00 179.97 180.17 1iru h ALA 156 N -0.33 0.02 0.00 0.04 0.00 -0.85 0.93 119.26 119.06 1iru h ALA 156 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1iru h ALA 156 Cb 0.55 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1iru h ALA 156 CO 0.10 -0.63 0.00 0.28 0.00 0.00 0.00 179.25 179.00 1iru h VAL 157 N -0.16 0.00 0.13 0.00 2.07 -1.52 0.16 116.25 116.93 1iru h VAL 157 Ca 0.22 -0.03 -0.30 0.00 0.82 0.00 0.00 66.70 67.41 1iru h VAL 157 Cb 0.51 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1iru h VAL 157 CO -0.58 0.00 -1.53 -0.08 0.02 0.00 0.00 177.57 175.39 1iru h GLU 158 N 0.00 0.27 -0.75 1.57 4.81 0.83 -2.49 114.58 118.82 1iru h GLU 158 Ca 0.00 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1iru h GLU 158 Cb 0.03 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1iru h GLU 158 CO 0.00 1.22 0.49 1.25 -0.73 0.00 0.00 179.01 181.24 1iru h LEU 159 N -0.21 0.86 -0.24 1.64 5.85 0.83 -0.05 115.31 123.99 1iru h LEU 159 Ca -0.33 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1iru h LEU 159 Cb 1.84 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1iru h LEU 159 CO 0.08 0.63 0.15 0.25 -0.34 0.00 0.00 178.44 179.21 1iru h LEU 160 N 1.02 0.29 -1.22 2.25 5.85 -0.85 -1.83 115.31 120.82 1iru h LEU 160 Ca 0.27 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.16 1iru h LEU 160 Cb -0.11 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.75 1iru h LEU 160 CO -0.06 0.25 0.62 0.03 -0.34 0.00 0.00 178.44 178.94 1iru h ARG 161 N 0.31 0.58 0.34 1.25 2.47 -0.75 0.13 114.38 118.71 1iru h ARG 161 Ca 0.09 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1iru h ARG 161 Cb 0.01 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1iru h ARG 161 CO -0.02 0.39 -0.16 0.87 0.56 0.00 0.00 179.97 181.60 1iru h LYS 162 N 0.60 -0.44 -0.58 0.04 1.57 -0.25 -1.59 116.57 115.92 1iru h LYS 162 Ca 0.55 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.45 1iru h LYS 162 Cb 1.08 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 1iru h LYS 162 CO -0.31 -0.14 0.21 0.00 -0.57 0.00 0.00 179.45 178.64 1iru h LEU 164 N 0.38 0.76 -0.50 0.00 3.38 -0.76 -2.11 115.31 116.47 1iru h LEU 164 Ca 0.29 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 1iru h LEU 164 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1iru h LEU 164 CO -0.30 0.60 -0.51 -0.33 0.09 0.00 0.00 178.44 178.00 1iru h GLU 165 N 0.87 0.65 -0.85 1.13 5.08 -0.18 -3.00 114.58 118.29 1iru h GLU 165 Ca 0.22 -0.39 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1iru h GLU 165 Cb 0.00 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1iru h GLU 165 CO -0.04 1.00 0.49 1.49 -1.00 0.00 0.00 179.01 180.95 1iru h GLU 166 N 0.51 0.78 -0.11 2.33 4.57 -0.45 -0.84 114.58 121.37 1iru h GLU 166 Ca 0.02 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1iru h GLU 166 Cb 1.06 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1iru h GLU 166 CO 0.10 0.51 -0.29 -0.07 -1.18 0.00 0.00 179.01 178.09 1iru h LEU 167 N 0.80 0.19 -1.31 1.64 3.38 -1.34 0.23 115.31 118.91 1iru h LEU 167 Ca 0.41 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1iru h LEU 167 Cb 0.40 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iru h LEU 167 CO -0.26 0.49 -0.09 1.56 0.09 0.00 0.00 178.44 180.23 1iru h GLN 168 N 0.17 0.00 0.00 1.13 1.08 -1.07 -2.99 115.11 113.44 1iru h GLN 168 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1iru h GLN 168 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1iru h GLN 168 CO 0.04 0.09 -0.51 1.17 -0.95 0.00 0.00 178.83 178.68 1iru n LYS 169 N -3.23 0.39 -0.01 1.46 4.81 -0.28 -4.83 118.16 116.47 1iru n LYS 169 Ca 0.00 0.42 -0.21 0.00 -0.87 0.00 0.00 58.31 57.65 1iru n LYS 169 Cb 0.36 -1.49 -0.13 0.00 0.02 0.00 0.00 35.03 33.78 1iru n LYS 169 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iru h ARG 170 N -0.84 0.21 -6.90 1.64 2.47 -0.76 -3.48 114.38 106.72 1iru h ARG 170 Ca 0.00 -0.36 -0.56 0.00 -1.26 0.00 0.00 59.98 57.80 1iru h ARG 170 Cb 0.51 0.13 0.13 0.00 -1.65 0.00 0.00 29.97 29.10 1iru h ARG 170 CO 0.00 1.17 0.54 0.34 0.56 0.00 0.00 179.97 182.58 1iru n PHE 171 N -3.89 2.22 1.16 3.04 7.35 -1.13 -4.91 117.46 121.30 1iru n PHE 171 Ca -0.28 0.47 0.12 0.00 -0.76 0.00 0.00 57.45 57.01 1iru n PHE 171 Cb 0.90 -2.38 0.23 0.00 0.35 0.00 0.00 39.48 38.58 1iru n PHE 171 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1iru n ILE 172 N -0.44 0.00 -3.49 -2.13 -5.35 -1.26 -4.80 119.36 101.89 1iru n ILE 172 Ca 0.07 -0.34 -0.37 0.00 -0.27 0.00 0.00 62.75 61.84 1iru n ILE 172 Cb 0.41 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.30 1iru n ILE 172 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1iru s LEU 173 N -2.15 4.30 0.00 7.28 1.43 -1.26 -5.02 118.68 123.26 1iru s LEU 173 Ca 0.28 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1iru s LEU 173 Cb 0.20 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1iru s LEU 173 CO 0.39 0.13 0.60 -3.20 0.23 0.00 0.00 176.35 174.50 1iru n ASN 174 N 3.19 0.00 -3.72 2.29 2.85 -1.26 -4.89 115.26 113.71 1iru n ASN 174 Ca -0.11 0.60 -0.28 0.00 -0.11 0.00 0.00 54.58 54.68 1iru n ASN 174 Cb 0.52 -0.22 0.02 0.00 1.24 0.00 0.00 39.78 41.33 1iru n ASN 174 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1iru n LEU 175 N -1.98 -2.48 -0.00 1.20 4.77 -1.26 -4.90 117.00 112.34 1iru n LEU 175 Ca 0.00 -0.93 -0.18 0.00 -0.03 0.00 0.00 56.01 54.87 1iru n LEU 175 Cb 0.00 -2.07 -0.09 0.00 -2.33 0.00 0.00 43.42 38.93 1iru n LEU 175 CO 0.00 0.29 0.23 1.55 -1.33 0.00 0.00 177.39 178.13 1iru h PRO 176 N -1.12 0.67 -6.48 3.23 0.13 -1.94 -3.47 132.00 123.01 1iru h PRO 176 Ca -0.57 -0.61 -0.63 0.00 -0.87 0.00 0.00 66.00 63.31 1iru h PRO 176 Cb 1.34 0.15 -0.16 0.00 0.13 0.00 0.00 31.00 32.45 1iru h PRO 176 CO 0.42 1.22 -0.77 0.95 -0.23 0.00 0.00 178.00 179.59 1iru s THR 177 N -3.55 2.75 -0.10 1.56 -4.23 -1.26 -3.14 115.64 107.67 1iru s THR 177 Ca -0.11 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1iru s THR 177 Cb 0.07 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1iru s THR 177 CO 0.88 -0.16 0.05 -0.36 -0.54 0.00 0.00 174.62 174.50 1iru s PHE 178 N -1.81 0.37 0.39 3.99 0.40 -0.85 -2.79 117.98 117.69 1iru s PHE 178 Ca 0.24 -0.13 -0.27 0.00 -0.60 0.00 0.00 56.93 56.16 1iru s PHE 178 Cb -0.08 -0.69 -0.10 0.00 0.51 0.00 0.00 43.02 42.67 1iru s PHE 178 CO 0.13 -0.36 1.43 -1.12 0.70 0.00 0.00 175.22 176.00 1iru s SER 179 N 2.07 6.30 0.03 1.36 0.01 0.70 -2.71 113.70 121.46 1iru s SER 179 Ca 0.04 2.93 0.03 0.00 1.31 0.00 0.00 55.95 60.25 1iru s SER 179 Cb -0.14 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 1iru s SER 179 CO -0.06 -0.89 -0.09 -0.69 0.41 0.00 0.00 173.24 171.92 1iru s VAL 180 N -1.16 0.72 0.00 3.43 1.01 -1.26 -1.86 120.40 121.28 1iru s VAL 180 Ca 0.54 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1iru s VAL 180 Cb -0.44 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.31 1iru s VAL 180 CO 0.59 -0.12 0.58 -0.13 0.00 0.00 0.00 175.10 176.02 1iru s ARG 181 N -1.05 1.02 0.14 2.72 0.52 -0.47 -3.08 118.95 118.76 1iru s ARG 181 Ca -0.03 -0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.25 1iru s ARG 181 Cb -0.07 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.83 1iru s ARG 181 CO 0.01 -0.34 -0.17 0.42 0.02 0.00 0.00 175.30 175.23 1iru s ILE 182 N -1.80 1.59 -0.05 1.52 1.01 -0.30 -0.90 121.20 122.27 1iru s ILE 182 Ca -0.09 -1.78 -0.00 0.00 0.00 0.00 0.00 60.65 58.78 1iru s ILE 182 Cb -0.01 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1iru s ILE 182 CO 0.04 -0.33 0.00 -0.63 0.00 0.00 0.00 174.94 174.02 1iru s ILE 183 N -1.98 0.26 0.00 2.92 1.01 -0.46 -0.68 121.20 122.27 1iru s ILE 183 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1iru s ILE 183 Cb -0.06 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1iru s ILE 183 CO 0.05 0.20 0.00 -0.90 0.00 0.00 0.00 174.94 174.29 1iru n ASP 184 N 4.66 0.00 0.30 3.58 5.68 -0.85 -1.27 116.55 128.65 1iru n ASP 184 Ca -0.16 -1.00 0.11 0.00 -0.50 0.00 0.00 54.79 53.25 1iru n ASP 184 Cb 0.50 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.10 1iru n ASP 184 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1iru h LYS 185 N 0.00 0.00 -0.42 0.11 5.09 -1.96 0.59 116.57 119.98 1iru h LYS 185 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1iru h LYS 185 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 1iru h LYS 185 CO 0.00 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 177.45 1iru n ASN 186 N -2.65 4.79 0.00 7.07 4.13 -1.26 -5.04 115.26 122.29 1iru n ASN 186 Ca -0.01 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.25 1iru n ASN 186 Cb 0.45 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1iru n ASN 186 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iru n GLY 187 N 0.02 -1.26 3.53 7.41 0.00 0.20 -4.88 105.19 110.21 1iru n GLY 187 Ca 0.25 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1iru n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iru s ILE 188 N 0.00 5.19 -0.11 -0.61 1.09 -1.18 -2.00 121.20 123.58 1iru s ILE 188 Ca 0.00 -0.07 -0.01 0.00 -1.10 0.00 0.00 60.65 59.48 1iru s ILE 188 Cb 0.00 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1iru s ILE 188 CO 0.00 -0.11 -0.07 -1.00 -0.10 0.00 0.00 174.94 173.66 1iru s HIS 189 N 1.96 2.94 0.00 3.97 3.76 0.14 -4.99 115.29 123.07 1iru s HIS 189 Ca 0.10 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1iru s HIS 189 Cb -0.17 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1iru s HIS 189 CO 0.12 0.12 0.00 -0.25 -0.85 0.00 0.00 174.74 173.87 1iru n ASP 190 N 2.87 -0.58 -3.58 1.40 9.92 -1.26 -1.15 116.55 124.16 1iru n ASP 190 Ca -0.18 -0.24 -0.05 0.00 -0.53 0.00 0.00 54.79 53.80 1iru n ASP 190 Cb 0.53 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.99 1iru n ASP 190 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1iru s LEU 191 N 0.00 -0.17 0.57 0.64 1.43 -1.18 -4.49 118.68 115.49 1iru s LEU 191 Ca 0.00 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 1iru s LEU 191 Cb 0.00 1.51 -0.04 0.00 0.03 0.00 0.00 46.19 47.69 1iru s LEU 191 CO 0.00 -0.32 1.12 -1.81 0.23 0.00 0.00 176.35 175.57 1iru s ASP 192 N -2.32 5.56 0.38 2.29 1.01 -1.26 -4.56 116.67 117.77 1iru s ASP 192 Ca 0.09 2.13 -0.25 0.00 0.71 0.00 0.00 52.55 55.23 1iru s ASP 192 Cb -0.01 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1iru s ASP 192 CO -0.05 -1.33 1.09 0.20 0.21 0.00 0.00 175.17 175.29 1iru s ASN 193 N -1.98 6.77 -0.40 0.27 0.01 -1.26 -4.54 114.94 113.81 1iru s ASN 193 Ca 0.71 2.15 -0.23 0.00 -0.71 0.00 0.00 52.86 54.78 1iru s ASN 193 Cb -0.23 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.85 1iru s ASN 193 CO 0.31 -0.49 0.80 -0.63 -1.51 0.00 0.00 177.10 175.58 1iru s ILE 194 N -1.52 4.68 0.31 0.60 -1.09 -1.10 -4.90 121.20 118.18 1iru s ILE 194 Ca 0.56 0.74 0.10 0.00 -2.23 0.00 0.00 60.65 59.82 1iru s ILE 194 Cb -0.26 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.30 1iru s ILE 194 CO 0.32 -0.57 -0.11 -0.55 -1.23 0.00 0.00 174.94 172.80 1iru s SER 195 N 1.98 3.80 -0.09 3.58 0.15 -1.26 -2.00 113.70 119.87 1iru s SER 195 Ca 0.32 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1iru s SER 195 Cb -0.12 -0.39 0.02 0.00 -1.71 0.00 0.00 66.02 63.81 1iru s SER 195 CO 0.20 -0.10 -0.07 -0.36 1.20 0.00 0.00 173.24 174.10 1iru s PHE 196 N -2.54 1.26 0.00 3.44 0.40 -1.19 -5.03 117.98 114.32 1iru s PHE 196 Ca 0.32 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1iru s PHE 196 Cb -0.01 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1iru s PHE 196 CO 0.17 -0.38 0.34 -2.30 0.70 0.00 0.00 175.22 173.74 1iru n PRO 197 N 4.55 0.00 -4.54 0.24 -0.02 -1.26 -4.85 135.00 129.12 1iru n PRO 197 Ca -0.16 -0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 60.88 1iru n PRO 197 Cb 0.51 -1.18 -0.11 0.00 -0.02 0.00 0.00 33.50 32.69 1iru n PRO 197 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1iru s LYS 198 N 2.04 2.94 0.00 -0.52 1.02 -1.26 -5.28 119.74 118.68 1iru s LYS 198 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1iru s LYS 198 Cb 0.00 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1iru s LYS 198 CO 0.00 0.61 0.41 1.04 -0.92 0.00 0.00 175.35 176.49