#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 4.21 -0.06 2.12 2.02 -1.26 -4.88 118.70 120.85 1iru s GLU 2 Ca 0.00 2.41 0.06 0.00 0.02 0.00 0.00 54.97 57.46 1iru s GLU 2 Cb 0.00 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 1iru s GLU 2 CO 0.00 -0.53 -0.23 -0.47 0.02 0.00 0.00 175.26 174.04 1iru s TYR 3 N 0.25 2.28 -0.02 1.61 5.04 -1.26 -4.09 117.35 121.15 1iru s TYR 3 Ca 0.63 -0.68 0.02 0.00 -2.44 0.00 0.00 57.07 54.60 1iru s TYR 3 Cb -0.44 -1.50 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1iru s TYR 3 CO 0.42 -0.21 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.85 1iru s LEU 4 N -0.11 1.70 -0.01 6.97 1.43 -0.71 -2.90 118.68 125.06 1iru s LEU 4 Ca -0.04 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1iru s LEU 4 Cb -0.13 -0.39 -0.00 0.00 0.03 0.00 0.00 46.19 45.69 1iru s LEU 4 CO 0.03 0.02 0.06 -0.51 0.23 0.00 0.00 176.35 176.19 1iru s ILE 5 N 0.32 0.04 -0.10 -0.59 2.07 -0.38 -0.64 121.20 121.92 1iru s ILE 5 Ca -0.04 -0.36 -0.08 0.00 -1.41 0.00 0.00 60.65 58.76 1iru s ILE 5 Cb -0.08 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.33 1iru s ILE 5 CO -0.00 -0.20 0.26 -0.83 -1.91 0.00 0.00 174.94 172.26 1iru s GLY 6 N -0.62 -0.18 -0.11 1.50 0.00 -0.43 -0.40 107.32 107.08 1iru s GLY 6 Ca -0.07 0.87 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1iru s GLY 6 CO 0.00 0.91 -0.13 -0.42 0.00 0.00 0.00 173.10 173.46 1iru s ILE 7 N 0.61 1.39 -0.13 0.90 1.01 0.12 -1.30 121.20 123.79 1iru s ILE 7 Ca -0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1iru s ILE 7 Cb -0.05 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1iru s ILE 7 CO -0.04 0.42 0.40 -1.58 0.00 0.00 0.00 174.94 174.15 1iru s GLN 8 N 1.16 4.29 0.00 2.79 0.74 0.42 -0.53 119.66 128.53 1iru s GLN 8 Ca -0.04 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.68 1iru s GLN 8 Cb -0.14 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.54 1iru s GLN 8 CO -0.04 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 1iru n GLY 9 N 3.27 2.40 0.15 2.59 0.00 0.37 -4.86 105.19 109.10 1iru n GLY 9 Ca -0.09 -2.10 0.04 0.00 0.00 0.00 0.00 46.02 43.86 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 0.41 0.00 -0.40 -0.23 0.00 0.00 178.00 177.78 1iru n ASP 11 N -3.18 0.59 -2.58 1.44 5.68 -1.26 -4.59 116.55 112.65 1iru n ASP 11 Ca 0.02 -1.19 -0.10 0.00 -0.50 0.00 0.00 54.79 53.02 1iru n ASP 11 Cb 0.71 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 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 -0.10 -1.74 -3.69 2.11 0.18 -1.26 -4.30 117.16 108.37 1iru n TYR 12 Ca 0.00 -1.75 -0.13 0.00 1.88 0.00 0.00 57.90 57.89 1iru n TYR 12 Cb 0.27 0.63 -0.13 0.00 -0.38 0.00 0.00 39.34 39.73 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 -2.49 -0.28 -0.15 -3.48 1.01 -0.36 -0.48 120.40 114.17 1iru s VAL 13 Ca 0.19 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 1iru s VAL 13 Cb -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1iru s VAL 13 CO 0.14 0.10 0.06 -0.22 0.00 0.00 0.00 175.10 175.17 1iru s LEU 14 N 2.01 3.85 0.03 3.92 2.96 0.31 -1.32 118.68 130.43 1iru s LEU 14 Ca -0.02 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1iru s LEU 14 Cb -0.11 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1iru s LEU 14 CO -0.08 0.27 -0.05 0.68 -1.32 0.00 0.00 176.35 175.85 1iru s VAL 15 N -0.19 0.29 0.08 1.68 -7.23 -0.10 0.15 120.40 115.07 1iru s VAL 15 Ca 0.07 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1iru s VAL 15 Cb -0.12 -0.39 0.01 0.00 0.56 0.00 0.00 36.38 36.44 1iru s VAL 15 CO 0.01 -0.42 0.26 0.00 -0.31 0.00 0.00 175.10 174.64 1iru s ALA 16 N -1.36 -0.48 0.12 1.32 0.00 0.47 -1.23 121.76 120.59 1iru s ALA 16 Ca -0.13 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.37 1iru s ALA 16 Cb -0.10 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1iru s ALA 16 CO -0.00 -0.50 0.34 -1.54 0.00 0.00 0.00 175.76 174.05 1iru s SER 17 N -2.59 -0.12 0.90 0.00 1.04 -0.73 -1.25 113.70 110.95 1iru s SER 17 Ca 0.01 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 1iru s SER 17 Cb 0.02 0.43 0.15 0.00 0.10 0.00 0.00 66.02 66.73 1iru s SER 17 CO -0.09 -0.82 1.26 1.51 0.98 0.00 0.00 173.24 176.08 1iru s ASP 18 N -2.83 3.64 -0.14 7.02 -4.77 -1.14 -0.19 116.67 118.26 1iru s ASP 18 Ca 0.04 0.49 0.15 0.00 -3.30 0.00 0.00 52.55 49.92 1iru s ASP 18 Cb 0.03 -0.72 0.37 0.00 -1.09 0.00 0.00 42.92 41.51 1iru s ASP 18 CO -0.11 -2.42 1.18 0.54 0.70 0.00 0.00 175.17 175.06 1iru n ARG 19 N -3.60 1.15 -3.99 2.11 1.74 -1.12 -4.49 116.66 108.46 1iru n ARG 19 Ca 0.12 -2.79 -0.36 0.00 -0.77 0.00 0.00 57.85 54.05 1iru n ARG 19 Cb 0.60 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.39 5.13 -0.41 1.55 1.01 -1.26 -0.34 120.40 123.69 1iru s VAL 20 Ca 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1iru s VAL 20 Cb 0.33 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.58 1iru s VAL 20 CO -0.06 0.57 0.18 0.00 0.00 0.00 0.00 175.10 175.79 1iru s ALA 21 N -0.64 3.13 0.38 5.51 0.00 -1.15 -4.88 121.76 124.11 1iru s ALA 21 Ca 0.12 -2.65 -0.10 0.00 0.00 0.00 0.00 51.96 49.33 1iru s ALA 21 Cb -0.12 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1iru s ALA 21 CO 0.02 -1.81 0.73 0.00 0.00 0.00 0.00 175.76 174.70 1iru s ALA 22 N 0.88 3.39 -0.30 0.00 0.00 -1.26 0.15 121.76 124.62 1iru s ALA 22 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1iru s ALA 22 Cb -0.22 -2.64 0.17 0.00 0.00 0.00 0.00 23.12 20.44 1iru s ALA 22 CO -0.05 0.07 0.69 0.45 0.00 0.00 0.00 175.76 176.92 1iru s SER 23 N -3.08 -1.16 1.57 0.00 0.15 -0.75 -4.86 113.70 105.57 1iru s SER 23 Ca 0.50 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1iru s SER 23 Cb -0.10 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.28 1iru s SER 23 CO 0.30 -0.22 0.00 -3.20 1.20 0.00 0.00 173.24 171.32 1iru n ASN 24 N 5.41 0.00 -0.56 5.45 5.15 -1.26 -2.25 115.26 127.20 1iru n ASN 24 Ca -0.05 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.01 1iru n ASN 24 Cb 0.51 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.80 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 -5.00 119.36 102.01 1iru n ILE 25 Ca 0.00 -0.45 -0.29 0.00 -0.27 0.00 0.00 62.75 61.75 1iru n ILE 25 Cb 0.00 1.29 -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 -1.55 2.98 -0.29 7.28 -7.23 -0.95 -5.08 120.40 115.55 1iru s VAL 26 Ca 0.17 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 58.55 1iru s VAL 26 Cb 0.13 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1iru s VAL 26 CO 0.27 0.05 0.96 -1.58 -0.31 0.00 0.00 175.10 174.48 1iru s GLN 27 N -2.32 4.08 0.07 4.82 -0.44 -1.26 -1.80 119.66 122.81 1iru s GLN 27 Ca 0.20 0.97 0.24 0.00 -2.50 0.00 0.00 55.36 54.27 1iru s GLN 27 Cb -0.10 -3.71 0.28 0.00 -1.64 0.00 0.00 33.01 27.84 1iru s GLN 27 CO 0.12 -0.74 1.24 -1.33 0.50 0.00 0.00 175.29 175.08 1iru n MET 28 N 6.48 0.23 -3.75 1.67 2.81 0.12 -4.85 117.12 119.83 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 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 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 -3.14 0.11 0.08 0.03 2.20 -1.21 -4.97 119.74 112.83 1iru s LYS 29 Ca 0.06 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 1iru s LYS 29 Cb 0.15 -0.17 -0.25 0.00 -1.51 0.00 0.00 37.83 36.04 1iru s LYS 29 CO 0.74 -0.16 1.13 -0.44 -0.36 0.00 0.00 175.35 176.26 1iru h ASP 30 N 7.22 0.25 -2.26 1.43 5.19 -1.89 -3.04 116.42 123.33 1iru h ASP 30 Ca -0.43 -0.28 -0.60 0.00 -0.62 0.00 0.00 57.03 55.10 1iru h ASP 30 Cb 1.14 -0.08 -0.42 0.00 0.18 0.00 0.00 39.33 40.15 1iru h ASP 30 CO 0.42 1.23 -0.64 -0.90 -3.12 0.00 0.00 179.24 176.22 1iru n ASP 31 N -3.44 3.34 -4.83 6.45 3.85 -1.20 -4.52 116.55 116.21 1iru n ASP 31 Ca -0.07 -3.35 -0.38 0.00 -0.71 0.00 0.00 54.79 50.29 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 -2.25 3.69 -0.27 2.11 2.46 0.54 -5.02 115.29 116.55 1iru s HIS 32 Ca 0.38 0.91 -0.05 0.00 0.47 0.00 0.00 55.06 56.77 1iru s HIS 32 Cb 0.13 -2.26 0.01 0.00 -0.13 0.00 0.00 32.58 30.34 1iru s HIS 32 CO -0.04 0.61 0.02 0.34 -2.47 0.00 0.00 174.74 173.21 1iru s ASP 33 N -0.91 4.77 0.00 9.88 -1.08 -1.26 -4.04 116.67 124.03 1iru s ASP 33 Ca 0.22 -0.73 0.31 0.00 -0.52 0.00 0.00 52.55 51.84 1iru s ASP 33 Cb -0.16 -1.79 1.67 0.00 -1.46 0.00 0.00 42.92 41.18 1iru s ASP 33 CO 0.11 -0.15 2.10 0.29 0.52 0.00 0.00 175.17 178.04 1iru n LYS 34 N 4.79 1.11 -3.99 4.34 4.01 -1.26 -4.90 118.16 122.26 1iru n LYS 34 Ca -0.16 -0.23 -0.34 0.00 -0.51 0.00 0.00 58.31 57.07 1iru n LYS 34 Cb 0.48 -1.50 -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 -2.05 3.30 -0.05 1.97 -1.94 -1.26 -1.84 119.30 117.43 1iru s MET 35 Ca 0.44 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.13 1iru s MET 35 Cb 0.22 -3.03 0.00 0.00 2.01 0.00 0.00 34.83 34.03 1iru s MET 35 CO 0.37 0.70 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.85 1iru s PHE 36 N -1.18 1.73 -0.28 -0.03 0.40 -0.38 -4.95 117.98 113.30 1iru s PHE 36 Ca 0.22 -0.55 -0.26 0.00 -0.60 0.00 0.00 56.93 55.73 1iru s PHE 36 Cb -0.12 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.23 1iru s PHE 36 CO 0.12 -0.21 0.93 0.15 0.70 0.00 0.00 175.22 176.91 1iru s LYS 37 N 0.20 4.11 -0.24 0.44 3.01 -1.26 -0.76 119.74 125.24 1iru s LYS 37 Ca -0.07 0.98 -0.11 0.00 -1.01 0.00 0.00 55.97 55.75 1iru s LYS 37 Cb -0.13 -3.69 -0.11 0.00 -1.01 0.00 0.00 37.83 32.89 1iru s LYS 37 CO 0.03 -0.69 -0.30 -1.33 0.51 0.00 0.00 175.35 173.57 1iru n MET 38 N 6.36 0.51 -0.83 1.68 2.81 -0.96 -4.95 117.12 121.74 1iru n MET 38 Ca 0.08 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 1iru n MET 38 Cb 0.47 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 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 -4.01 0.93 0.10 7.83 7.64 -1.21 -4.44 113.62 120.45 1iru n SER 39 Ca -0.47 -0.42 0.12 0.00 1.01 0.00 0.00 58.87 59.11 1iru n SER 39 Cb 0.84 0.00 0.06 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 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1iru h GLU 40 CO 0.00 0.00 -0.24 1.63 -1.16 0.00 0.00 179.01 179.24 1iru n LYS 41 N -2.54 1.18 -3.85 2.33 4.76 -1.26 -3.08 118.16 115.70 1iru n LYS 41 Ca 0.01 -2.60 -0.12 0.00 -2.87 0.00 0.00 58.31 52.73 1iru n LYS 41 Cb 0.52 -1.36 -0.14 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.55 -0.01 0.04 -0.18 1.01 -1.25 -0.49 121.20 117.77 1iru s ILE 42 Ca 0.31 0.02 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1iru s ILE 42 Cb 0.28 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.65 1iru s ILE 42 CO -0.01 0.01 -0.11 -0.76 0.00 0.00 0.00 174.94 174.06 1iru s LEU 43 N 0.13 2.18 -0.23 2.97 1.43 0.20 -2.27 118.68 123.09 1iru s LEU 43 Ca -0.01 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1iru s LEU 43 Cb -0.02 -0.45 0.05 0.00 0.03 0.00 0.00 46.19 45.81 1iru s LEU 43 CO -0.00 -0.03 -0.10 -0.22 0.23 0.00 0.00 176.35 176.23 1iru s LEU 44 N -1.16 2.86 -0.33 1.79 2.96 0.06 -1.75 118.68 123.12 1iru s LEU 44 Ca -0.01 -1.16 -0.21 0.00 -0.22 0.00 0.00 54.13 52.52 1iru s LEU 44 Cb -0.08 -1.38 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 1iru s LEU 44 CO 0.01 -0.17 0.65 -0.76 -1.32 0.00 0.00 176.35 174.76 1iru s LEU 45 N 1.25 4.18 -0.07 -0.68 2.01 0.39 -1.25 118.68 124.51 1iru s LEU 45 Ca -0.05 0.35 0.03 0.00 0.01 0.00 0.00 54.13 54.46 1iru s LEU 45 Cb -0.18 -2.84 0.01 0.00 0.01 0.00 0.00 46.19 43.19 1iru s LEU 45 CO -0.07 -0.54 -0.16 0.00 1.01 0.00 0.00 176.35 176.59 1iru s VAL 47 N 0.47 0.46 0.00 0.00 1.01 -0.43 -4.84 120.40 117.08 1iru s VAL 47 Ca -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 59.96 1iru s VAL 47 Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.58 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 0.01 0.03 3.79 4.51 0.00 -1.26 -0.13 105.19 112.14 1iru n GLY 48 Ca -0.12 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.76 4.33 0.11 1.61 2.12 -0.80 -4.91 118.70 119.40 1iru s GLU 49 Ca 0.00 1.38 -0.11 0.00 0.36 0.00 0.00 54.97 56.61 1iru s GLU 49 Cb 0.00 -2.58 0.09 0.00 0.26 0.00 0.00 34.13 31.90 1iru s GLU 49 CO 0.00 0.03 0.81 0.00 -0.54 0.00 0.00 175.26 175.56 1iru n ALA 50 N 0.08 -0.12 -0.09 6.30 0.00 -1.26 -2.41 120.51 123.01 1iru n ALA 50 Ca 0.04 0.51 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1iru n ALA 50 Cb 0.50 -0.20 -0.15 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 -0.82 0.37 0.00 0.00 -1.26 -4.52 105.19 97.73 1iru n GLY 51 Ca 0.05 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.76 0.00 1.61 5.19 -1.82 -2.32 116.42 119.84 1iru h ASP 52 Ca -0.52 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1iru h ASP 52 Cb 2.13 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.57 1iru h ASP 52 CO 0.01 0.32 0.00 0.35 -3.12 0.00 0.00 179.24 176.80 1iru n THR 53 N -4.67 0.00 0.04 0.35 -2.24 -1.04 -1.59 114.28 105.12 1iru n THR 53 Ca 0.21 1.35 -0.12 0.00 -2.27 0.00 0.00 64.05 63.23 1iru n THR 53 Cb 0.53 -2.34 -0.07 0.00 -2.10 0.00 0.00 70.33 66.35 1iru n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1iru h VAL 54 N 0.00 0.00 -0.95 2.28 2.07 -1.82 0.87 116.25 118.70 1iru h VAL 54 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1iru h VAL 54 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1iru h VAL 54 CO 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.11 1iru n GLN 55 N -4.65 -0.34 0.22 1.57 1.13 -0.88 -0.81 117.38 113.63 1iru n GLN 55 Ca -0.05 1.45 -0.15 0.00 -1.94 0.00 0.00 57.00 56.31 1iru n GLN 55 Cb 0.29 -2.13 -0.08 0.00 0.11 0.00 0.00 30.24 28.42 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 -0.51 -0.46 1.08 3.57 -1.01 -2.11 116.94 117.50 1iru h PHE 56 Ca 0.23 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1iru h PHE 56 Cb 0.46 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.27 1iru h PHE 56 CO -0.92 -0.22 -0.38 0.00 -2.23 0.00 0.00 178.31 174.56 1iru h ALA 57 N -0.24 -0.27 -0.08 2.41 0.00 -0.08 0.51 119.26 121.50 1iru h ALA 57 Ca -0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1iru h ALA 57 Cb 0.52 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1iru h ALA 57 CO 0.09 -0.78 -0.11 0.93 0.00 0.00 0.00 179.25 179.38 1iru h GLU 58 N -0.26 0.13 -0.20 0.00 5.08 -1.02 0.21 114.58 118.52 1iru h GLU 58 Ca 0.17 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1iru h GLU 58 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1iru h GLU 58 CO -0.60 0.25 0.00 -0.92 -1.00 0.00 0.00 179.01 176.74 1iru h TYR 59 N 0.12 0.39 -0.23 4.33 3.20 -0.27 0.21 116.97 124.73 1iru h TYR 59 Ca 0.03 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 1iru h TYR 59 Cb 0.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1iru h TYR 59 CO 0.00 0.55 -0.32 0.82 -1.64 0.00 0.00 178.16 177.57 1iru h ILE 60 N 0.12 1.28 0.00 1.81 1.08 -0.56 -2.53 117.51 118.71 1iru h ILE 60 Ca 0.06 -1.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1iru h ILE 60 Cb 0.39 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1iru h ILE 60 CO 0.01 0.44 0.00 1.67 -0.69 0.00 0.00 178.15 179.58 1iru n GLN 61 N -4.08 0.00 -0.13 2.37 7.27 0.71 -1.84 117.38 121.68 1iru n GLN 61 Ca -0.01 0.40 0.28 0.00 0.07 0.00 0.00 57.00 57.74 1iru n GLN 61 Cb 0.45 -1.37 0.70 0.00 2.41 0.00 0.00 30.24 32.42 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 -0.66 0.28 116.57 126.45 1iru h LYS 62 Ca 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.51 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 -0.37 -0.91 -2.06 0.00 0.00 179.45 176.11 1iru h ASN 63 N 0.00 0.00 0.06 0.86 2.35 -1.30 -0.77 115.58 116.78 1iru h ASN 63 Ca 0.40 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.98 1iru h ASN 63 Cb 1.88 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.27 1iru h ASN 63 CO -0.00 0.37 -0.69 0.58 -1.65 0.00 0.00 177.43 176.03 1iru h VAL 64 N 0.00 1.46 -0.56 2.81 2.07 0.30 -2.88 116.25 119.45 1iru h VAL 64 Ca -0.00 -2.27 0.03 0.00 0.82 0.00 0.00 66.70 65.28 1iru h VAL 64 Cb 1.19 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.77 1iru h VAL 64 CO 0.05 0.65 0.33 1.56 0.02 0.00 0.00 177.57 180.18 1iru h GLN 65 N -0.21 0.63 -0.99 1.57 1.08 -1.30 -1.19 115.11 114.69 1iru h GLN 65 Ca -0.10 -0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1iru h GLN 65 Cb 1.45 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.67 1iru h GLN 65 CO 0.13 0.42 0.64 1.25 -0.95 0.00 0.00 178.83 180.31 1iru h LEU 66 N 0.65 0.99 -1.06 1.46 5.85 -1.18 0.78 115.31 122.79 1iru h LEU 66 Ca 0.23 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1iru h LEU 66 Cb 0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1iru h LEU 66 CO -0.11 0.61 0.63 0.22 -0.34 0.00 0.00 178.44 179.45 1iru h TYR 67 N 1.11 1.20 0.29 1.25 3.20 -1.00 -1.11 116.97 121.89 1iru h TYR 67 Ca 0.44 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.33 1iru h TYR 67 Cb 0.25 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1iru h TYR 67 CO -0.00 0.75 -0.14 -0.22 -1.64 0.00 0.00 178.16 176.91 1iru h LYS 68 N 1.29 -0.37 -0.01 1.82 3.64 -0.28 -1.90 116.57 120.76 1iru h LYS 68 Ca 0.35 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1iru h LYS 68 Cb -0.13 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1iru h LYS 68 CO -0.08 -0.22 -0.10 0.52 -2.27 0.00 0.00 179.45 177.30 1iru h MET 69 N -0.42 0.02 0.01 1.90 2.86 -0.93 0.31 114.93 118.67 1iru h MET 69 Ca -0.04 -0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 1iru h MET 69 Cb 0.32 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1iru h MET 69 CO 0.06 0.11 -1.06 0.00 1.06 0.00 0.00 176.91 177.09 1iru h ARG 70 N 0.02 0.02 -0.00 1.72 3.08 -0.95 -3.38 114.38 114.89 1iru h ARG 70 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1iru h ARG 70 Cb 0.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1iru h ARG 70 CO 0.01 0.98 -0.15 0.09 -1.07 0.00 0.00 179.97 179.83 1iru n ASN 71 N -3.34 0.23 0.00 7.04 3.02 -0.74 -5.02 115.26 116.45 1iru n ASN 71 Ca -0.02 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1iru n ASN 71 Cb 0.95 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 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 1.03 2.28 3.75 7.41 0.00 0.11 -4.99 105.19 114.78 1iru n GLY 72 Ca 0.01 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.74 3.09 0.80 1.61 -0.85 -1.26 -4.90 117.35 115.10 1iru s TYR 73 Ca 0.00 -0.01 -0.12 0.00 -0.52 0.00 0.00 57.07 56.42 1iru s TYR 73 Cb 0.00 -1.52 0.07 0.00 0.38 0.00 0.00 41.96 40.89 1iru s TYR 73 CO 0.00 0.51 1.15 -1.21 -1.52 0.00 0.00 175.55 174.48 1iru s GLU 74 N -2.78 2.05 0.16 -3.49 2.02 -1.26 -4.35 118.70 111.05 1iru s GLU 74 Ca 0.29 0.26 -0.20 0.00 0.02 0.00 0.00 54.97 55.34 1iru s GLU 74 Cb -0.11 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.10 1iru s GLU 74 CO 0.22 -1.57 0.66 -0.51 0.02 0.00 0.00 175.26 174.08 1iru s LEU 75 N -5.62 4.43 0.33 1.80 1.43 -1.26 -5.03 118.68 114.76 1iru s LEU 75 Ca 0.61 1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 54.79 1iru s LEU 75 Cb -0.12 -3.31 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 1iru s LEU 75 CO 0.51 0.13 1.19 -0.94 0.23 0.00 0.00 176.35 177.47 1iru s SER 76 N -1.45 6.90 0.51 2.29 1.04 -1.26 -4.80 113.70 116.93 1iru s SER 76 Ca 0.37 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 1.45 0.00 0.10 0.00 0.00 66.02 64.76 1iru s SER 76 CO 0.21 -0.42 1.81 1.55 0.98 0.00 0.00 173.24 177.37 1iru h PRO 77 N 3.34 0.08 -0.33 4.02 0.13 -1.89 0.63 132.00 137.98 1iru h PRO 77 Ca -0.48 -0.00 -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 0.05 -0.32 1.15 -0.23 0.00 0.00 178.00 179.31 1iru h THR 78 N 0.08 1.28 0.00 1.56 2.02 -1.97 -2.39 112.91 113.50 1iru h THR 78 Ca 0.55 -1.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.13 1iru h THR 78 Cb 2.01 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 1iru h THR 78 CO -0.07 0.48 -0.66 0.00 0.37 0.00 0.00 175.52 175.63 1iru h ALA 79 N 1.05 0.88 -0.20 6.16 0.00 -0.16 -3.05 119.26 123.94 1iru h ALA 79 Ca 0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1iru h ALA 79 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1iru h ALA 79 CO 0.07 0.83 -0.56 0.00 0.00 0.00 0.00 179.25 179.59 1iru h ALA 80 N 1.34 0.33 -0.89 0.00 0.00 -0.99 -2.35 119.26 116.70 1iru h ALA 80 Ca -0.01 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1iru h ALA 80 Cb 1.19 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1iru h ALA 80 CO 0.09 0.55 0.58 0.00 0.00 0.00 0.00 179.25 180.46 1iru h ALA 81 N 0.59 1.35 0.00 0.00 0.00 -1.43 0.21 119.26 119.98 1iru h ALA 81 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1iru h ALA 81 Cb 1.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1iru h ALA 81 CO 0.12 0.60 0.00 -0.91 0.00 0.00 0.00 179.25 179.06 1iru h ASN 82 N 1.21 0.00 0.13 0.00 2.35 -1.50 -0.69 115.58 117.08 1iru h ASN 82 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1iru h ASN 82 Cb -0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1iru h ASN 82 CO -0.07 0.00 -0.06 0.15 -1.65 0.00 0.00 177.43 175.80 1iru h PHE 83 N 0.00 -0.17 -0.83 1.19 3.57 -0.54 -2.02 116.94 118.15 1iru h PHE 83 Ca 0.00 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1iru h PHE 83 Cb 0.73 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1iru h PHE 83 CO 0.00 -0.10 0.55 1.79 -2.23 0.00 0.00 178.31 178.32 1iru h THR 84 N -0.71 0.75 -0.48 4.41 1.35 -0.67 0.19 112.91 117.75 1iru h THR 84 Ca -0.02 -0.15 -0.10 0.00 -0.55 0.00 0.00 66.41 65.60 1iru h THR 84 Cb 0.14 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 66.83 1iru h THR 84 CO 0.03 0.08 -0.08 -0.09 -0.25 0.00 0.00 175.52 175.20 1iru h ARG 85 N 0.42 0.90 -0.22 4.72 2.43 -1.18 -1.50 114.38 119.94 1iru h ARG 85 Ca 0.42 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1iru h ARG 85 Cb 0.98 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1iru h ARG 85 CO -0.15 0.98 0.03 -0.09 -1.51 0.00 0.00 179.97 179.23 1iru h ARG 86 N 0.75 0.11 0.01 0.20 9.65 0.12 0.40 114.38 125.61 1iru h ARG 86 Ca 0.12 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1iru h ARG 86 Cb 0.63 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1iru h ARG 86 CO 0.04 0.07 -0.00 -0.91 2.80 0.00 0.00 179.97 181.97 1iru h ASN 87 N 0.11 -0.01 -0.79 -3.80 -0.26 -1.24 -0.70 115.58 108.90 1iru h ASN 87 Ca 0.10 -0.32 0.02 0.00 -0.56 0.00 0.00 56.30 55.55 1iru h ASN 87 Cb 0.11 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 1iru h ASN 87 CO -0.15 0.31 0.51 0.25 -1.06 0.00 0.00 177.43 177.30 1iru h LEU 88 N -0.33 0.86 -1.20 1.61 5.85 -1.17 0.19 115.31 121.12 1iru h LEU 88 Ca -0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1iru h LEU 88 Cb 0.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1iru h LEU 88 CO 0.00 0.61 -0.21 0.00 -0.34 0.00 0.00 178.44 178.50 1iru h ALA 89 N 1.32 1.04 0.00 1.25 0.00 -0.87 -1.79 119.26 120.20 1iru h ALA 89 Ca 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1iru h ALA 89 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1iru h ALA 89 CO -0.09 0.26 -0.59 -0.44 0.00 0.00 0.00 179.25 178.39 1iru h ASP 90 N 0.00 0.00 0.58 0.00 5.19 0.23 -3.22 116.42 119.20 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 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1iru h ASP 90 CO 0.03 0.25 -0.94 0.00 -3.12 0.00 0.00 179.24 175.46 1iru h LEU 92 N 0.00 0.11 -4.02 0.00 5.85 -1.34 -1.22 115.31 114.68 1iru h LEU 92 Ca 0.00 0.10 -0.66 0.00 0.84 0.00 0.00 57.88 58.16 1iru h LEU 92 Cb 0.76 0.11 -0.32 0.00 0.37 0.00 0.00 40.66 41.58 1iru h LEU 92 CO 0.00 0.06 0.49 0.54 -0.34 0.00 0.00 178.44 179.19 1iru n ARG 93 N -5.07 2.91 -1.49 1.25 1.74 -1.26 -4.76 116.66 109.98 1iru n ARG 93 Ca 0.09 -3.52 0.00 0.00 -0.77 0.00 0.00 57.85 53.65 1iru n ARG 93 Cb 0.31 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 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 1.66 0.12 0.55 3.41 -0.47 -5.02 113.62 113.04 1iru n SER 94 Ca 0.58 -0.82 0.10 0.00 -0.26 0.00 0.00 58.87 58.47 1iru n SER 94 Cb 0.70 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.93 -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 0.06 -0.61 0.25 -0.00 0.00 0.00 179.97 179.68 1iru n THR 96 N -2.83 2.46 -2.53 0.08 -2.24 -1.26 -5.08 114.28 102.88 1iru n THR 96 Ca -0.00 -5.28 -0.34 0.00 -2.27 0.00 0.00 64.05 56.16 1iru n THR 96 Cb 0.59 -1.97 -0.03 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 -2.65 3.80 -0.19 -0.78 0.04 -1.21 -4.83 135.00 129.18 1iru s PRO 97 Ca 0.42 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 1iru s PRO 97 Cb 0.17 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1iru s PRO 97 CO -0.03 -0.43 -0.01 0.71 0.04 0.00 0.00 177.00 177.27 1iru s TYR 98 N -2.03 3.03 -1.16 0.56 1.51 -1.26 -5.02 117.35 112.98 1iru s TYR 98 Ca 0.67 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 56.17 1iru s TYR 98 Cb -0.16 -2.05 0.23 0.00 -0.11 0.00 0.00 41.96 39.87 1iru s TYR 98 CO 0.21 -0.21 1.29 0.72 -1.11 0.00 0.00 175.55 176.45 1iru n HIS 99 N 4.10 5.02 -4.10 2.71 8.25 -1.26 -4.92 115.22 125.02 1iru n HIS 99 Ca -0.17 -3.61 -0.14 0.00 -0.26 0.00 0.00 57.72 53.53 1iru n HIS 99 Cb 0.52 -1.91 -0.12 0.00 1.12 0.00 0.00 29.99 29.60 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 -0.07 0.64 -0.03 1.59 -7.23 -1.26 -1.91 120.40 112.13 1iru s VAL 100 Ca 0.36 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 1iru s VAL 100 Cb -0.06 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1iru s VAL 100 CO -0.04 -0.30 -0.24 0.20 -0.31 0.00 0.00 175.10 174.41 1iru s ASN 101 N -1.47 2.87 0.21 4.85 0.01 0.81 -3.23 114.94 119.00 1iru s ASN 101 Ca -0.07 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.51 1iru s ASN 101 Cb -0.09 -0.43 -0.00 0.00 0.41 0.00 0.00 41.25 41.14 1iru s ASN 101 CO 0.01 0.28 0.40 -1.48 -1.51 0.00 0.00 177.10 174.80 1iru s LEU 102 N -0.47 0.54 -0.04 0.60 0.05 -0.94 -1.31 118.68 117.11 1iru s LEU 102 Ca 0.06 -0.87 0.04 0.00 0.05 0.00 0.00 54.13 53.42 1iru s LEU 102 Cb -0.10 1.55 -0.00 0.00 -2.05 0.00 0.00 46.19 45.58 1iru s LEU 102 CO 0.00 -1.03 -0.17 -0.76 -0.55 0.00 0.00 176.35 173.84 1iru s LEU 103 N -2.99 1.92 -0.27 1.48 1.43 0.94 -1.06 118.68 120.13 1iru s LEU 103 Ca 0.20 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1iru s LEU 103 Cb 0.01 -0.97 0.07 0.00 0.03 0.00 0.00 46.19 45.33 1iru s LEU 103 CO 0.04 0.16 -0.05 -0.22 0.23 0.00 0.00 176.35 176.51 1iru s LEU 104 N 0.01 3.53 -0.18 1.79 2.96 -0.01 0.15 118.68 126.93 1iru s LEU 104 Ca -0.03 -1.54 -0.06 0.00 -0.22 0.00 0.00 54.13 52.28 1iru s LEU 104 Cb -0.11 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1iru s LEU 104 CO 0.02 -0.25 0.01 0.00 -1.32 0.00 0.00 176.35 174.81 1iru s ALA 105 N 1.13 3.16 0.19 5.97 0.00 -0.71 -0.41 121.76 131.09 1iru s ALA 105 Ca -0.03 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1iru s ALA 105 Cb -0.19 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1iru s ALA 105 CO -0.07 0.07 0.50 0.20 0.00 0.00 0.00 175.76 176.47 1iru s GLY 106 N 0.59 -0.04 -0.07 0.00 0.00 -0.43 -0.62 107.32 106.74 1iru s GLY 106 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.46 1iru s GLY 106 CO 0.02 -0.32 -0.14 -0.47 0.00 0.00 0.00 173.10 172.19 1iru s TYR 107 N -3.88 1.65 -0.17 1.90 5.04 0.36 -0.69 117.35 121.55 1iru s TYR 107 Ca 0.10 -0.62 -0.03 0.00 -2.44 0.00 0.00 57.07 54.08 1iru s TYR 107 Cb -0.01 -1.18 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1iru s TYR 107 CO -0.03 -0.29 -0.07 0.34 -1.34 0.00 0.00 175.55 174.17 1iru s ASP 108 N 0.57 4.38 0.00 4.32 2.15 -0.75 -4.76 116.67 122.58 1iru s ASP 108 Ca -0.15 -0.29 -0.03 0.00 0.43 0.00 0.00 52.55 52.51 1iru s ASP 108 Cb -0.16 -1.72 -0.16 0.00 -0.30 0.00 0.00 42.92 40.59 1iru s ASP 108 CO 0.05 0.10 2.45 -1.84 -0.17 0.00 0.00 175.17 175.75 1iru n GLU 109 N 4.02 1.27 0.00 4.34 0.28 -1.26 -0.94 120.64 128.35 1iru n GLU 109 Ca -0.18 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.24 1iru n GLU 109 Cb 0.52 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.66 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 2.48 0.00 -0.02 -1.84 -0.00 -1.26 -4.96 115.22 109.62 1iru n HIS 110 Ca 0.25 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 58.01 1iru n HIS 110 Cb 0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.47 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 -0.32 0.76 0.00 1.57 -0.58 -1.01 -5.12 120.64 115.93 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 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.78 -1.79 3.77 0.62 0.00 -0.11 -4.91 105.19 104.55 1iru n GLY 112 Ca -0.07 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 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 3.79 -0.10 1.61 0.04 -1.26 -1.81 135.00 137.27 1iru s PRO 113 Ca 0.00 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1iru s PRO 113 Cb 0.00 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1iru s PRO 113 CO 0.00 -0.52 0.26 0.00 0.04 0.00 0.00 177.00 176.78 1iru s ALA 114 N -1.58 -0.64 -0.10 8.56 0.00 0.13 -4.97 121.76 123.16 1iru s ALA 114 Ca 0.63 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 1iru s ALA 114 Cb -0.27 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1iru s ALA 114 CO 0.33 -0.13 -0.08 -1.17 0.00 0.00 0.00 175.76 174.72 1iru s LEU 115 N 0.20 1.21 0.02 0.00 2.96 -1.26 -1.32 118.68 120.50 1iru s LEU 115 Ca -0.00 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1iru s LEU 115 Cb -0.02 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 1iru s LEU 115 CO -0.00 -0.10 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.43 1iru s TYR 116 N 1.54 2.53 0.03 5.38 1.51 0.45 -1.12 117.35 127.68 1iru s TYR 116 Ca 0.02 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 1iru s TYR 116 Cb -0.13 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1iru s TYR 116 CO -0.06 0.21 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.96 1iru s TYR 117 N -0.86 2.63 -0.10 2.71 5.04 -0.27 -0.83 117.35 125.67 1iru s TYR 117 Ca 0.13 -0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 54.50 1iru s TYR 117 Cb -0.10 -1.49 0.04 0.00 0.35 0.00 0.00 41.96 40.75 1iru s TYR 117 CO 0.04 0.28 0.24 -1.64 -1.34 0.00 0.00 175.55 173.12 1iru s MET 118 N -1.44 0.21 0.50 4.97 -1.94 -0.22 -2.22 119.30 119.15 1iru s MET 118 Ca 0.15 0.47 -0.20 0.00 -1.71 0.00 0.00 55.69 54.41 1iru s MET 118 Cb -0.11 -0.07 -0.08 0.00 2.01 0.00 0.00 34.83 36.58 1iru s MET 118 CO 0.06 -0.14 1.03 0.34 -0.01 0.00 0.00 175.02 176.30 1iru s ASP 119 N 1.02 6.34 0.00 3.03 -1.08 -0.98 -2.21 116.67 122.80 1iru s ASP 119 Ca -0.07 1.87 0.11 0.00 -0.52 0.00 0.00 52.55 53.94 1iru s ASP 119 Cb -0.09 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.31 1iru s ASP 119 CO -0.07 -0.78 1.36 0.00 0.52 0.00 0.00 175.17 176.21 1iru n TYR 120 N -1.11 0.01 1.00 -5.34 0.18 -1.20 0.34 117.16 111.04 1iru n TYR 120 Ca 0.09 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.00 1iru n TYR 120 Cb 0.53 -0.50 0.43 0.00 -0.38 0.00 0.00 39.34 39.41 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 -1.51 0.26 -0.03 -3.48 4.77 -1.26 -4.74 117.00 111.01 1iru n LEU 121 Ca 0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1iru n LEU 121 Cb 0.13 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1iru n LEU 121 CO 0.11 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.23 1iru n ALA 122 N -1.50 0.00 -2.71 -1.18 0.00 0.15 -4.70 120.51 110.57 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 0.34 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.06 3.26 -0.14 0.00 0.00 -1.25 -4.83 121.76 116.74 1iru s ALA 123 Ca 0.00 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 1iru s ALA 123 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1iru s ALA 123 CO 0.00 -0.18 -0.12 -1.17 0.00 0.00 0.00 175.76 174.28 1iru s LEU 124 N 0.95 2.74 -0.01 0.00 2.96 -1.26 -2.31 118.68 121.75 1iru s LEU 124 Ca 0.45 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1iru s LEU 124 Cb -0.19 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 1iru s LEU 124 CO 0.23 0.16 0.02 0.00 -1.32 0.00 0.00 176.35 175.43 1iru s ALA 125 N 0.41 -0.05 0.14 5.97 0.00 -0.94 -5.03 121.76 122.27 1iru s ALA 125 Ca -0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1iru s ALA 125 Cb -0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 1iru s ALA 125 CO 0.05 -0.04 0.49 0.21 0.00 0.00 0.00 175.76 176.46 1iru s LYS 126 N -0.24 3.84 -0.15 0.00 2.20 -1.26 -1.12 119.74 123.00 1iru s LYS 126 Ca -0.03 0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.58 1iru s LYS 126 Cb -0.02 -2.88 0.09 0.00 -1.51 0.00 0.00 37.83 33.51 1iru s LYS 126 CO -0.00 0.47 0.82 0.00 -0.36 0.00 0.00 175.35 176.27 1iru s ALA 127 N -1.54 -1.84 0.41 3.13 0.00 -0.28 -4.95 121.76 116.70 1iru s ALA 127 Ca 0.39 1.60 0.08 0.00 0.00 0.00 0.00 51.96 54.02 1iru s ALA 127 Cb -0.14 -0.60 0.85 0.00 0.00 0.00 0.00 23.12 23.23 1iru s ALA 127 CO 0.20 -0.33 2.03 -1.00 0.00 0.00 0.00 175.76 176.65 1iru h PRO 128 N 3.43 0.45 -2.51 0.00 0.13 -1.92 -3.36 132.00 128.23 1iru h PRO 128 Ca -0.25 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1iru h PRO 128 Cb 1.15 -0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.03 1iru h PRO 128 CO 0.27 0.35 0.16 -0.59 -0.23 0.00 0.00 178.00 177.96 1iru s PHE 129 N -5.30 -0.56 -0.04 1.56 -0.12 -1.26 0.16 117.98 112.42 1iru s PHE 129 Ca -0.08 0.71 -0.30 0.00 -0.05 0.00 0.00 56.93 57.22 1iru s PHE 129 Cb 0.17 0.44 0.11 0.00 -0.63 0.00 0.00 43.02 43.11 1iru s PHE 129 CO 0.73 -0.69 0.96 0.00 -0.05 0.00 0.00 175.22 176.16 1iru s ALA 130 N -2.30 -1.87 0.10 1.99 0.00 -0.42 -5.00 121.76 114.26 1iru s ALA 130 Ca -0.06 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1iru s ALA 130 Cb -0.01 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1iru s ALA 130 CO -0.00 -0.67 0.20 0.00 0.00 0.00 0.00 175.76 175.28 1iru s ALA 131 N -2.98 -0.13 0.03 0.00 0.00 -1.26 -1.31 121.76 116.12 1iru s ALA 131 Ca 0.06 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1iru s ALA 131 Cb -0.01 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1iru s ALA 131 CO -0.08 -0.53 -0.09 -1.01 0.00 0.00 0.00 175.76 174.05 1iru s HIS 132 N -3.89 0.78 0.00 0.00 3.76 0.18 -4.86 115.29 111.27 1iru s HIS 132 Ca 0.08 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1iru s HIS 132 Cb 0.05 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.26 1iru s HIS 132 CO -0.08 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 1iru n GLY 133 N 1.98 1.01 0.28 -2.22 0.00 -1.26 -1.74 105.19 103.24 1iru n GLY 133 Ca -0.19 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.76 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 0.48 -0.99 1.61 0.99 -1.90 -2.15 116.97 115.00 1iru h TYR 134 Ca 0.00 -0.03 0.18 0.00 2.00 0.00 0.00 58.73 60.88 1iru h TYR 134 Cb 0.00 -0.14 -0.10 0.00 1.00 0.00 0.00 36.73 37.48 1iru h TYR 134 CO 0.00 0.44 0.60 0.78 -0.00 0.00 0.00 178.16 179.98 1iru h GLY 135 N 0.73 1.74 -0.00 3.88 0.00 -1.88 -0.14 103.07 107.39 1iru h GLY 135 Ca 0.11 -0.36 0.22 0.00 0.00 0.00 0.00 47.33 47.30 1iru h GLY 135 CO 0.00 -0.04 0.60 0.00 0.00 0.00 0.00 176.54 177.11 1iru h ALA 136 N 1.63 1.73 -0.60 3.60 0.00 -1.57 0.09 119.26 124.13 1iru h ALA 136 Ca 0.56 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 1iru h ALA 136 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1iru h ALA 136 CO -0.37 -0.15 0.22 0.74 0.00 0.00 0.00 179.25 179.69 1iru h PHE 137 N 0.68 0.90 -0.00 0.00 -1.00 -1.15 -0.37 116.94 116.00 1iru h PHE 137 Ca 0.61 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 61.33 1iru h PHE 137 Cb 1.05 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1iru h PHE 137 CO -0.01 0.70 -0.32 1.28 -1.61 0.00 0.00 178.31 178.36 1iru n LEU 138 N -4.31 0.44 0.00 1.54 4.77 -0.10 -4.46 117.00 114.89 1iru n LEU 138 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1iru n LEU 138 Cb 0.18 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1iru n LEU 138 CO 0.39 0.10 -0.35 0.35 -1.33 0.00 0.00 177.39 176.56 1iru n THR 139 N -1.34 0.00 0.23 -5.08 -2.24 -0.50 -4.73 114.28 100.62 1iru n THR 139 Ca 0.08 -0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1iru n THR 139 Cb 0.33 0.48 0.55 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.62 3.22 3.38 -1.29 -2.18 115.31 117.82 1iru h LEU 140 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 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 0.15 -0.42 0.77 0.09 0.00 0.00 178.44 179.04 1iru h SER 141 N 0.00 0.65 0.47 -0.43 4.64 -1.83 -1.90 113.55 115.15 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 0.29 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1iru h SER 141 CO 0.02 0.99 -0.26 0.40 -0.87 0.00 0.00 176.83 177.10 1iru h ILE 142 N 0.50 0.46 -0.42 0.95 2.04 -1.69 -0.76 117.51 118.59 1iru h ILE 142 Ca 0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1iru h ILE 142 Cb 0.93 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 1iru h ILE 142 CO 0.08 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.19 1iru h LEU 143 N -0.69 -0.12 -1.38 1.44 3.38 -1.44 0.30 115.31 116.80 1iru h LEU 143 Ca -0.06 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1iru h LEU 143 Cb 0.55 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1iru h LEU 143 CO 0.08 -0.03 0.54 0.44 0.09 0.00 0.00 178.44 179.56 1iru h ASP 144 N 0.14 0.58 -0.22 -0.43 3.32 -1.12 0.42 116.42 119.11 1iru h ASP 144 Ca 0.21 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1iru h ASP 144 Cb 0.29 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1iru h ASP 144 CO -0.32 0.31 -0.34 -0.09 -1.72 0.00 0.00 179.24 177.07 1iru h ARG 145 N 0.63 0.62 -0.14 3.56 9.65 0.99 -3.36 114.38 126.32 1iru h ARG 145 Ca 0.41 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1iru h ARG 145 Cb 0.69 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1iru h ARG 145 CO -0.17 0.98 0.00 0.66 2.80 0.00 0.00 179.97 184.25 1iru n TYR 146 N -4.28 0.19 -3.07 2.20 4.01 0.30 -5.02 117.16 111.50 1iru n TYR 146 Ca -0.05 -0.26 -0.39 0.00 -0.16 0.00 0.00 57.90 57.03 1iru n TYR 146 Cb 0.50 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.86 3.72 -0.03 -0.72 5.04 0.14 -5.04 117.35 119.60 1iru s TYR 147 Ca 0.14 1.37 0.04 0.00 -2.44 0.00 0.00 57.07 56.18 1iru s TYR 147 Cb 0.08 -2.74 -0.00 0.00 0.35 0.00 0.00 41.96 39.65 1iru s TYR 147 CO 0.11 0.31 -0.14 0.95 -1.34 0.00 0.00 175.55 175.44 1iru s THR 148 N -0.13 1.17 -0.91 4.34 -4.23 -1.26 -4.96 115.64 109.66 1iru s THR 148 Ca 0.35 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1iru s THR 148 Cb -0.20 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1iru s THR 148 CO 0.21 0.34 0.53 -2.65 -0.54 0.00 0.00 174.62 172.51 1iru n PRO 149 N 3.07 0.00 0.00 3.99 -0.02 -1.26 -1.01 135.00 139.77 1iru n PRO 149 Ca -0.17 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1iru n PRO 149 Cb 0.54 -1.59 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 -1.03 0.17 -1.55 3.45 -2.24 -1.26 -4.30 114.28 107.53 1iru n THR 150 Ca 0.00 -0.54 -0.53 0.00 -2.27 0.00 0.00 64.05 60.71 1iru n THR 150 Cb 0.09 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.29 -2.95 2.28 3.06 -0.18 -4.79 119.36 116.98 1iru n ILE 151 Ca 0.00 -0.07 -0.29 0.00 -2.50 0.00 0.00 62.75 59.89 1iru n ILE 151 Cb 0.07 -0.54 -0.02 0.00 0.54 0.00 0.00 39.64 39.69 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 0.16 6.43 0.37 9.51 1.04 -1.26 -4.46 113.70 125.50 1iru s SER 152 Ca 0.83 0.94 0.18 0.00 0.48 0.00 0.00 55.95 58.38 1iru s SER 152 Cb -1.02 -2.25 0.97 0.00 0.10 0.00 0.00 66.02 63.82 1iru s SER 152 CO 0.51 -0.38 1.48 0.08 0.98 0.00 0.00 173.24 175.91 1iru h ARG 153 N 1.10 0.00 0.13 4.02 0.11 -1.98 0.54 114.38 118.29 1iru h ARG 153 Ca -0.47 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.37 1iru h ARG 153 Cb 1.19 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.30 1iru h ARG 153 CO 0.64 0.00 -1.00 1.05 0.10 0.00 0.00 179.97 180.76 1iru h GLU 154 N 0.00 0.45 0.43 0.08 4.11 -1.99 -2.79 114.58 114.87 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 0.45 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1iru h GLU 154 CO 0.00 1.29 -0.21 0.00 0.07 0.00 0.00 179.01 180.16 1iru h ARG 155 N -0.06 -0.56 -0.48 1.06 2.47 -0.45 -3.00 114.38 113.37 1iru h ARG 155 Ca -0.16 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.69 1iru h ARG 155 Cb 1.74 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 30.09 1iru h ARG 155 CO 0.19 -0.27 -0.26 0.00 0.56 0.00 0.00 179.97 180.19 1iru h ALA 156 N -0.33 0.03 0.00 0.04 0.00 -0.86 0.80 119.26 118.94 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 0.54 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1iru h ALA 156 CO 0.10 -0.62 0.00 0.28 0.00 0.00 0.00 179.25 179.01 1iru h VAL 157 N -0.16 0.00 0.12 0.00 2.07 -1.52 0.13 116.25 116.89 1iru h VAL 157 Ca 0.22 -0.02 -0.29 0.00 0.82 0.00 0.00 66.70 67.42 1iru h VAL 157 Cb 0.50 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1iru h VAL 157 CO -0.57 0.00 -1.51 -0.08 0.02 0.00 0.00 177.57 175.43 1iru h GLU 158 N 0.00 0.26 -0.79 1.57 4.81 0.55 -2.42 114.58 118.56 1iru h GLU 158 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1iru h GLU 158 Cb 0.03 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1iru h GLU 158 CO 0.00 1.21 0.51 1.25 -0.73 0.00 0.00 179.01 181.25 1iru h LEU 159 N -0.24 0.92 -0.21 1.64 5.85 0.73 -0.18 115.31 123.83 1iru h LEU 159 Ca -0.32 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1iru h LEU 159 Cb 1.82 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1iru h LEU 159 CO 0.07 0.68 0.12 0.25 -0.34 0.00 0.00 178.44 179.22 1iru h LEU 160 N 1.07 0.26 -1.29 2.25 5.85 -0.91 -1.91 115.31 120.62 1iru h LEU 160 Ca 0.29 -0.08 0.23 0.00 0.84 0.00 0.00 57.88 59.16 1iru h LEU 160 Cb -0.10 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 1iru h LEU 160 CO -0.06 0.26 0.63 0.03 -0.34 0.00 0.00 178.44 178.96 1iru h ARG 161 N 0.23 0.49 0.31 1.25 2.47 -0.70 0.98 114.38 119.41 1iru h ARG 161 Ca 0.07 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1iru h ARG 161 Cb 0.06 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1iru h ARG 161 CO -0.01 0.33 -0.15 0.87 0.56 0.00 0.00 179.97 181.56 1iru h LYS 162 N 0.51 -0.40 -0.63 0.04 1.57 -0.34 -1.77 116.57 115.54 1iru h LYS 162 Ca 0.56 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.46 1iru h LYS 162 Cb 1.24 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 1iru h LYS 162 CO -0.29 -0.08 0.25 0.00 -0.57 0.00 0.00 179.45 178.75 1iru h LEU 164 N 0.43 0.77 -0.52 0.00 3.38 -0.83 -2.17 115.31 116.36 1iru h LEU 164 Ca 0.32 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 1iru h LEU 164 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1iru h LEU 164 CO -0.32 0.64 -0.55 -0.33 0.09 0.00 0.00 178.44 177.97 1iru h GLU 165 N 0.86 0.54 -0.81 1.13 5.08 -0.30 -3.00 114.58 118.08 1iru h GLU 165 Ca 0.22 -0.34 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1iru h GLU 165 Cb 0.06 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1iru h GLU 165 CO -0.03 0.95 0.47 1.49 -1.00 0.00 0.00 179.01 180.89 1iru h GLU 166 N 0.41 0.78 -0.08 2.33 4.57 -0.51 -1.03 114.58 121.06 1iru h GLU 166 Ca 0.01 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1iru h GLU 166 Cb 1.10 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1iru h GLU 166 CO 0.10 0.52 -0.29 -0.07 -1.18 0.00 0.00 179.01 178.09 1iru h LEU 167 N 0.81 0.14 -1.18 1.64 3.38 -1.34 0.23 115.31 118.99 1iru h LEU 167 Ca 0.38 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1iru h LEU 167 Cb 0.31 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1iru h LEU 167 CO -0.23 0.43 -0.02 1.56 0.09 0.00 0.00 178.44 180.27 1iru h GLN 168 N 0.13 0.00 0.00 1.13 1.08 -1.10 -3.02 115.11 113.32 1iru h GLN 168 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1iru h GLN 168 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1iru h GLN 168 CO 0.04 0.02 -0.56 1.17 -0.95 0.00 0.00 178.83 178.56 1iru n LYS 169 N -3.12 0.40 -0.02 1.46 4.81 -0.22 -4.83 118.16 116.64 1iru n LYS 169 Ca 0.01 0.39 -0.21 0.00 -0.87 0.00 0.00 58.31 57.63 1iru n LYS 169 Cb 0.36 -1.47 -0.13 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.85 0.20 -6.89 1.64 2.47 -0.77 -3.48 114.38 106.71 1iru h ARG 170 Ca 0.00 -0.34 -0.56 0.00 -1.26 0.00 0.00 59.98 57.82 1iru h ARG 170 Cb 0.56 0.13 0.13 0.00 -1.65 0.00 0.00 29.97 29.13 1iru h ARG 170 CO 0.00 1.16 0.51 0.34 0.56 0.00 0.00 179.97 182.54 1iru n PHE 171 N -3.91 2.12 1.15 3.04 7.35 -1.14 -4.91 117.46 121.15 1iru n PHE 171 Ca -0.28 0.47 0.12 0.00 -0.76 0.00 0.00 57.45 57.00 1iru n PHE 171 Cb 0.89 -2.36 0.21 0.00 0.35 0.00 0.00 39.48 38.57 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 -0.50 0.00 -3.46 -2.13 -5.35 -1.26 -4.80 119.36 101.86 1iru n ILE 172 Ca 0.08 -0.33 -0.37 0.00 -0.27 0.00 0.00 62.75 61.85 1iru n ILE 172 Cb 0.41 1.06 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 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 -2.19 4.32 0.00 7.28 1.43 -1.26 -5.02 118.68 123.24 1iru s LEU 173 Ca 0.27 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1iru s LEU 173 Cb 0.20 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1iru s LEU 173 CO 0.41 0.13 0.62 -3.20 0.23 0.00 0.00 176.35 174.53 1iru n ASN 174 N 3.14 0.00 -3.74 2.29 2.85 -1.26 -4.90 115.26 113.64 1iru n ASN 174 Ca -0.11 0.62 -0.29 0.00 -0.11 0.00 0.00 54.58 54.69 1iru n ASN 174 Cb 0.52 -0.23 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 -2.01 -2.34 -0.02 1.20 4.77 -1.26 -4.90 117.00 112.43 1iru n LEU 175 Ca 0.00 -0.95 -0.17 0.00 -0.03 0.00 0.00 56.01 54.86 1iru n LEU 175 Cb 0.00 -2.03 -0.08 0.00 -2.33 0.00 0.00 43.42 38.98 1iru n LEU 175 CO 0.00 0.33 0.28 1.55 -1.33 0.00 0.00 177.39 178.21 1iru h PRO 176 N -1.18 0.71 -6.46 3.23 0.13 -1.94 -3.47 132.00 123.01 1iru h PRO 176 Ca -0.58 -0.60 -0.63 0.00 -0.87 0.00 0.00 66.00 63.32 1iru h PRO 176 Cb 1.34 0.13 -0.16 0.00 0.13 0.00 0.00 31.00 32.45 1iru h PRO 176 CO 0.43 1.21 -0.77 0.95 -0.23 0.00 0.00 178.00 179.59 1iru s THR 177 N -3.68 2.73 -0.09 1.56 -4.23 -1.26 -3.14 115.64 107.52 1iru s THR 177 Ca -0.11 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1iru s THR 177 Cb 0.07 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.60 1iru s THR 177 CO 0.88 -0.18 0.05 -0.36 -0.54 0.00 0.00 174.62 174.47 1iru s PHE 178 N -1.88 0.38 0.36 3.99 0.40 -0.84 -2.79 117.98 117.59 1iru s PHE 178 Ca 0.24 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 56.18 1iru s PHE 178 Cb -0.08 -0.68 -0.11 0.00 0.51 0.00 0.00 43.02 42.67 1iru s PHE 178 CO 0.13 -0.34 1.41 -1.12 0.70 0.00 0.00 175.22 176.00 1iru s SER 179 N 2.07 6.52 0.03 1.36 0.01 0.73 -2.71 113.70 121.71 1iru s SER 179 Ca 0.04 2.90 0.04 0.00 1.31 0.00 0.00 55.95 60.24 1iru s SER 179 Cb -0.13 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 1iru s SER 179 CO -0.05 -0.73 -0.11 -0.69 0.41 0.00 0.00 173.24 172.06 1iru s VAL 180 N -1.13 0.83 -0.01 3.43 1.01 -1.26 -1.77 120.40 121.50 1iru s VAL 180 Ca 0.51 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 1iru s VAL 180 Cb -0.44 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1iru s VAL 180 CO 0.59 -0.08 0.56 -0.13 0.00 0.00 0.00 175.10 176.04 1iru s ARG 181 N -1.07 0.99 0.13 2.72 0.52 -0.37 -3.04 118.95 118.83 1iru s ARG 181 Ca -0.01 -0.00 0.08 0.00 -0.52 0.00 0.00 55.73 55.27 1iru s ARG 181 Cb -0.07 0.46 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 1iru s ARG 181 CO 0.01 -0.33 -0.18 0.42 0.02 0.00 0.00 175.30 175.24 1iru s ILE 182 N -1.71 1.65 -0.06 1.52 1.01 -0.31 -0.92 121.20 122.39 1iru s ILE 182 Ca -0.09 -1.70 -0.00 0.00 0.00 0.00 0.00 60.65 58.86 1iru s ILE 182 Cb -0.01 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1iru s ILE 182 CO 0.04 -0.23 -0.01 -0.63 0.00 0.00 0.00 174.94 174.12 1iru s ILE 183 N -1.67 0.40 0.00 2.92 1.01 -0.44 -0.70 121.20 122.73 1iru s ILE 183 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1iru s ILE 183 Cb -0.08 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.89 1iru s ILE 183 CO 0.05 0.23 0.00 -0.90 0.00 0.00 0.00 174.94 174.32 1iru n ASP 184 N 4.66 0.00 0.30 3.58 5.68 -0.86 -1.23 116.55 128.68 1iru n ASP 184 Ca -0.15 -0.97 0.12 0.00 -0.50 0.00 0.00 54.79 53.29 1iru n ASP 184 Cb 0.50 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.13 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 -0.44 0.11 5.09 -1.96 0.36 116.57 119.73 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 -2.67 4.93 0.00 7.07 4.13 -1.26 -5.04 115.26 122.42 1iru n ASN 186 Ca -0.02 -2.96 0.00 0.00 1.68 0.00 0.00 54.58 53.28 1iru n ASN 186 Cb 0.42 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 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 0.14 -1.05 3.53 7.41 0.00 0.12 -4.89 105.19 110.45 1iru n GLY 187 Ca 0.25 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 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 5.17 -0.10 -0.61 1.09 -1.18 -2.04 121.20 123.53 1iru s ILE 188 Ca 0.00 -0.06 -0.00 0.00 -1.10 0.00 0.00 60.65 59.49 1iru s ILE 188 Cb 0.00 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1iru s ILE 188 CO 0.00 -0.15 -0.08 -1.00 -0.10 0.00 0.00 174.94 173.62 1iru s HIS 189 N 2.00 2.92 0.00 3.97 3.76 0.13 -4.99 115.29 123.08 1iru s HIS 189 Ca 0.11 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1iru s HIS 189 Cb -0.17 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1iru s HIS 189 CO 0.12 0.13 0.00 -0.25 -0.85 0.00 0.00 174.74 173.89 1iru n ASP 190 N 2.79 -0.50 -3.59 1.40 9.92 -1.26 -1.16 116.55 124.15 1iru n ASP 190 Ca -0.18 -0.25 -0.04 0.00 -0.53 0.00 0.00 54.79 53.79 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 -0.16 0.57 0.64 1.43 -1.17 -4.47 118.68 115.52 1iru s LEU 191 Ca 0.00 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 1iru s LEU 191 Cb 0.00 1.49 -0.04 0.00 0.03 0.00 0.00 46.19 47.66 1iru s LEU 191 CO 0.00 -0.31 1.13 -1.81 0.23 0.00 0.00 176.35 175.59 1iru s ASP 192 N -2.32 5.56 0.38 2.29 1.01 -1.26 -4.57 116.67 117.76 1iru s ASP 192 Ca 0.09 2.15 -0.25 0.00 0.71 0.00 0.00 52.55 55.26 1iru s ASP 192 Cb -0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1iru s ASP 192 CO -0.05 -1.33 1.07 0.20 0.21 0.00 0.00 175.17 175.27 1iru s ASN 193 N -1.93 6.79 -0.40 0.27 0.01 -1.26 -4.54 114.94 113.89 1iru s ASN 193 Ca 0.72 2.11 -0.23 0.00 -0.71 0.00 0.00 52.86 54.74 1iru s ASN 193 Cb -0.24 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 38.85 1iru s ASN 193 CO 0.30 -0.47 0.80 -0.63 -1.51 0.00 0.00 177.10 175.59 1iru s ILE 194 N -1.56 4.68 0.31 0.60 -1.09 -1.10 -4.91 121.20 118.14 1iru s ILE 194 Ca 0.56 0.75 0.10 0.00 -2.23 0.00 0.00 60.65 59.84 1iru s ILE 194 Cb -0.25 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.31 1iru s ILE 194 CO 0.31 -0.56 -0.12 -0.55 -1.23 0.00 0.00 174.94 172.79 1iru s SER 195 N 1.97 3.78 -0.08 3.58 0.15 -1.26 -1.99 113.70 119.85 1iru s SER 195 Ca 0.32 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1iru s SER 195 Cb -0.12 -0.38 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1iru s SER 195 CO 0.20 -0.10 -0.08 -0.36 1.20 0.00 0.00 173.24 174.10 1iru s PHE 196 N -2.54 1.28 0.00 3.44 0.40 -1.19 -5.03 117.98 114.33 1iru s PHE 196 Ca 0.32 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1iru s PHE 196 Cb -0.01 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.46 1iru s PHE 196 CO 0.16 -0.38 0.36 -2.30 0.70 0.00 0.00 175.22 173.77 1iru n PRO 197 N 4.50 0.00 -4.56 0.24 -0.02 -1.26 -4.85 135.00 129.05 1iru n PRO 197 Ca -0.17 -0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 60.85 1iru n PRO 197 Cb 0.51 -1.23 -0.11 0.00 -0.02 0.00 0.00 33.50 32.64 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 2.19 2.95 0.00 -0.52 1.02 -1.26 -5.28 119.74 118.84 1iru s LYS 198 Ca 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.46 1iru s LYS 198 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1iru s LYS 198 CO 0.00 0.59 0.41 1.04 -0.92 0.00 0.00 175.35 176.46