#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru n GLN 2 N 0.00 1.05 -3.68 -2.82 1.13 -1.26 -4.17 117.38 107.63 1iru n GLN 2 Ca 0.00 -0.07 -0.28 0.00 -1.94 0.00 0.00 57.00 54.71 1iru n GLN 2 Cb 0.00 -1.40 -0.16 0.00 0.11 0.00 0.00 30.24 28.79 1iru n GLN 2 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1iru s ASN 3 N -4.48 2.94 0.52 1.08 0.01 -1.26 -5.13 114.94 108.62 1iru s ASN 3 Ca -0.07 -0.90 -0.22 0.00 -0.71 0.00 0.00 52.86 50.96 1iru s ASN 3 Cb 0.07 -0.49 -0.06 0.00 0.41 0.00 0.00 41.25 41.18 1iru s ASN 3 CO 0.66 -0.34 1.33 -2.16 -1.51 0.00 0.00 177.10 175.08 1iru s PRO 4 N 1.94 3.30 0.00 -0.60 0.04 -1.26 -4.98 135.00 133.43 1iru s PRO 4 Ca 0.02 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1iru s PRO 4 Cb -0.17 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1iru s PRO 4 CO -0.13 -1.05 0.00 -1.33 0.04 0.00 0.00 177.00 174.53 1iru n MET 5 N -0.85 0.00 -2.82 4.56 2.81 -1.26 -4.98 117.12 114.57 1iru n MET 5 Ca 0.09 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.57 1iru n MET 5 Cb 0.45 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.93 1iru n MET 5 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1iru s VAL 6 N 0.28 4.86 0.26 2.03 1.01 -1.26 -4.37 120.40 123.20 1iru s VAL 6 Ca 0.00 1.78 0.06 0.00 0.00 0.00 0.00 61.98 63.83 1iru s VAL 6 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1iru s VAL 6 CO 0.00 0.04 -0.07 0.42 0.00 0.00 0.00 175.10 175.49 1iru s THR 7 N 1.98 1.59 -0.02 3.92 -4.23 0.17 -0.88 115.64 118.17 1iru s THR 7 Ca 0.42 -2.13 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1iru s THR 7 Cb -0.17 -2.34 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1iru s THR 7 CO 0.15 -0.37 -0.21 -0.83 -0.54 0.00 0.00 174.62 172.81 1iru s GLY 8 N -3.40 1.39 0.00 3.99 0.00 -0.05 0.54 107.32 109.80 1iru s GLY 8 Ca 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1iru s GLY 8 CO 0.10 -0.90 0.00 -0.37 0.00 0.00 0.00 173.10 171.93 1iru n THR 9 N 2.30 0.00 -0.80 0.90 5.66 -1.26 -1.25 114.28 119.82 1iru n THR 9 Ca -0.16 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.50 1iru n THR 9 Cb 0.52 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.41 1iru n THR 9 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1iru n SER 10 N 0.00 -2.36 -3.84 1.09 3.41 -1.26 -4.47 113.62 106.18 1iru n SER 10 Ca 0.00 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1iru n SER 10 Cb 0.00 -1.17 -0.15 0.00 -0.26 0.00 0.00 64.21 62.64 1iru n SER 10 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iru s VAL 11 N -2.36 0.01 0.15 -3.33 1.01 -1.25 -4.50 120.40 110.13 1iru s VAL 11 Ca 0.56 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.69 1iru s VAL 11 Cb -0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1iru s VAL 11 CO 0.68 0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.91 1iru s LEU 12 N 0.38 2.76 -0.26 3.92 1.43 -0.36 -1.54 118.68 125.00 1iru s LEU 12 Ca -0.03 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 1iru s LEU 12 Cb -0.05 -1.52 0.09 0.00 0.03 0.00 0.00 46.19 44.74 1iru s LEU 12 CO -0.01 0.14 0.62 -0.83 0.23 0.00 0.00 176.35 176.50 1iru s GLY 13 N -2.49 -0.59 0.01 -3.19 0.00 0.57 -1.56 107.32 100.07 1iru s GLY 13 Ca 0.21 2.21 0.00 0.00 0.00 0.00 0.00 44.72 47.14 1iru s GLY 13 CO 0.12 2.43 -0.02 0.54 0.00 0.00 0.00 173.10 176.17 1iru s VAL 14 N 1.93 0.08 0.09 1.40 0.11 -0.77 0.83 120.40 124.07 1iru s VAL 14 Ca -0.09 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1iru s VAL 14 Cb -0.07 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1iru s VAL 14 CO -0.18 -0.27 0.11 -1.59 -3.33 0.00 0.00 175.10 169.84 1iru s LYS 15 N -0.81 2.98 0.39 1.54 -2.85 -0.86 -1.30 119.74 118.83 1iru s LYS 15 Ca -0.09 -0.68 0.05 0.00 -1.00 0.00 0.00 55.97 54.25 1iru s LYS 15 Cb -0.06 -2.76 -0.02 0.00 -2.06 0.00 0.00 37.83 32.93 1iru s LYS 15 CO -0.01 0.56 0.18 -0.59 0.10 0.00 0.00 175.35 175.59 1iru s PHE 16 N -1.47 1.77 -0.38 1.78 -0.12 0.04 -4.63 117.98 114.96 1iru s PHE 16 Ca 0.30 -1.43 -0.27 0.00 -0.05 0.00 0.00 56.93 55.49 1iru s PHE 16 Cb -0.12 -1.01 -0.06 0.00 -0.63 0.00 0.00 43.02 41.20 1iru s PHE 16 CO 0.23 -0.50 2.34 0.39 -0.05 0.00 0.00 175.22 177.63 1iru n GLU 17 N -0.83 1.40 -1.22 1.99 -0.58 -0.26 -2.23 120.64 118.91 1iru n GLU 17 Ca -0.02 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1iru n GLU 17 Cb 0.64 -3.34 0.00 0.00 -0.57 0.00 0.00 31.44 28.17 1iru n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iru n GLY 18 N 5.93 0.61 0.00 0.62 0.00 -1.26 -4.66 105.19 106.43 1iru n GLY 18 Ca 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1iru n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 19 N -1.84 -0.30 3.04 -0.02 0.00 -0.94 -4.07 105.19 101.05 1iru n GLY 19 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1iru n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 20 N -2.00 0.33 0.01 1.61 1.01 -0.51 -0.78 120.40 120.07 1iru s VAL 20 Ca 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 60.89 1iru s VAL 20 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1iru s VAL 20 CO 0.00 -0.53 -0.15 0.54 0.00 0.00 0.00 175.10 174.96 1iru s VAL 21 N -1.83 1.19 0.04 2.92 0.11 -0.42 -0.73 120.40 121.67 1iru s VAL 21 Ca -0.09 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1iru s VAL 21 Cb -0.07 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1iru s VAL 21 CO -0.02 0.20 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.21 1iru s ILE 22 N -0.56 0.87 0.01 7.04 1.01 0.72 -1.85 121.20 128.44 1iru s ILE 22 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1iru s ILE 22 Cb -0.07 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 1iru s ILE 22 CO 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 174.94 174.79 1iru s ALA 23 N -0.90 0.56 -0.25 9.38 0.00 -0.60 -0.03 121.76 129.91 1iru s ALA 23 Ca -0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 1iru s ALA 23 Cb -0.08 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.03 1iru s ALA 23 CO 0.01 0.10 0.61 0.00 0.00 0.00 0.00 175.76 176.47 1iru s ALA 24 N -0.47 -1.67 0.97 0.00 0.00 -1.12 -1.23 121.76 118.25 1iru s ALA 24 Ca -0.01 2.17 -0.12 0.00 0.00 0.00 0.00 51.96 54.01 1iru s ALA 24 Cb -0.04 -1.35 0.17 0.00 0.00 0.00 0.00 23.12 21.90 1iru s ALA 24 CO 0.00 -0.43 1.09 0.16 0.00 0.00 0.00 175.76 176.58 1iru s ASP 25 N 1.76 2.80 -0.37 0.00 3.84 -1.26 -2.27 116.67 121.17 1iru s ASP 25 Ca -0.09 1.49 0.04 0.00 -0.00 0.00 0.00 52.55 53.99 1iru s ASP 25 Cb -0.07 -2.16 0.57 0.00 -1.38 0.00 0.00 42.92 39.89 1iru s ASP 25 CO -0.18 -3.06 1.76 0.23 -0.00 0.00 0.00 175.17 173.91 1iru n MET 26 N -4.16 2.21 -3.69 2.11 2.81 0.16 -4.57 117.12 111.99 1iru n MET 26 Ca 0.06 -2.54 -0.37 0.00 -1.81 0.00 0.00 57.70 53.05 1iru n MET 26 Cb 0.55 -2.00 -0.07 0.00 -0.71 0.00 0.00 33.22 30.99 1iru n MET 26 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1iru s LEU 27 N -2.74 4.34 -0.38 4.03 2.96 -1.26 -1.81 118.68 123.82 1iru s LEU 27 Ca 0.48 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1iru s LEU 27 Cb 0.40 -2.25 0.11 0.00 0.50 0.00 0.00 46.19 44.95 1iru s LEU 27 CO 0.10 0.27 0.13 -0.83 -1.32 0.00 0.00 176.35 174.70 1iru s GLY 28 N -0.40 1.99 0.35 7.98 0.00 0.15 -4.30 107.32 113.09 1iru s GLY 28 Ca 0.16 -2.57 -0.13 0.00 0.00 0.00 0.00 44.72 42.17 1iru s GLY 28 CO 0.05 0.98 0.75 -0.56 0.00 0.00 0.00 173.10 174.32 1iru s SER 29 N 1.26 6.68 -0.57 1.64 0.01 0.19 -1.60 113.70 121.30 1iru s SER 29 Ca 0.10 1.23 0.05 0.00 1.31 0.00 0.00 55.95 58.64 1iru s SER 29 Cb -0.21 -2.35 0.18 0.00 0.21 0.00 0.00 66.02 63.85 1iru s SER 29 CO -0.06 -0.28 0.46 0.00 0.41 0.00 0.00 173.24 173.77 1iru n TYR 30 N -0.71 1.47 0.00 2.43 9.36 -0.46 0.46 117.16 129.71 1iru n TYR 30 Ca 0.03 -3.87 0.00 0.00 3.32 0.00 0.00 57.90 57.38 1iru n TYR 30 Cb 0.53 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 1iru n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1iru n GLY 31 N 2.18 1.04 1.03 2.98 0.00 -1.26 -2.92 105.19 108.23 1iru n GLY 31 Ca 0.25 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1iru n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iru n SER 32 N 6.44 3.06 -4.64 1.61 3.41 -1.26 -4.90 113.62 117.35 1iru n SER 32 Ca 0.00 -1.94 -0.39 0.00 -0.26 0.00 0.00 58.87 56.28 1iru n SER 32 Cb 0.00 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1iru n SER 32 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1iru s LEU 33 N -1.41 4.10 -0.90 1.04 2.96 -1.15 -4.97 118.68 118.36 1iru s LEU 33 Ca 0.38 0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 54.62 1iru s LEU 33 Cb 0.21 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1iru s LEU 33 CO 0.30 -0.22 1.54 0.00 -1.32 0.00 0.00 176.35 176.65 1iru s ALA 34 N 1.90 2.47 -0.19 5.97 0.00 -1.26 -1.35 121.76 129.31 1iru s ALA 34 Ca 0.22 -1.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.21 1iru s ALA 34 Cb -0.15 -4.45 -0.17 0.00 0.00 0.00 0.00 23.12 18.34 1iru s ALA 34 CO 0.09 -3.79 0.22 -0.09 0.00 0.00 0.00 175.76 172.19 1iru h ARG 35 N 10.59 0.00 -4.48 0.00 2.43 -1.84 -3.44 114.38 117.64 1iru h ARG 35 Ca 0.03 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.50 1iru h ARG 35 Cb 1.03 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.26 1iru h ARG 35 CO 1.33 0.81 -0.53 -0.06 -1.51 0.00 0.00 179.97 180.02 1iru s PHE 36 N -2.30 3.48 -1.64 2.20 0.40 -0.63 -4.95 117.98 114.54 1iru s PHE 36 Ca -0.24 -2.10 0.28 0.00 -0.60 0.00 0.00 56.93 54.26 1iru s PHE 36 Cb 0.04 -3.09 1.08 0.00 0.51 0.00 0.00 43.02 41.56 1iru s PHE 36 CO 0.53 -0.93 1.77 0.54 0.70 0.00 0.00 175.22 177.82 1iru n ARG 37 N 4.71 0.69 -3.07 0.44 1.74 -1.26 0.33 116.66 120.23 1iru n ARG 37 Ca -0.06 -0.29 -0.20 0.00 -0.77 0.00 0.00 57.85 56.53 1iru n ARG 37 Cb 0.42 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 1iru n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1iru n ASN 38 N -0.90 2.04 -4.27 0.55 5.15 -1.19 -4.52 115.26 112.12 1iru n ASN 38 Ca 0.13 -3.21 -0.27 0.00 -0.60 0.00 0.00 54.58 50.63 1iru n ASN 38 Cb 0.30 -0.59 -0.15 0.00 -0.53 0.00 0.00 39.78 38.81 1iru n ASN 38 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1iru s ILE 39 N -3.15 1.77 -0.15 -1.44 -4.36 -0.75 -5.07 121.20 108.05 1iru s ILE 39 Ca 0.42 -1.18 -0.23 0.00 -0.26 0.00 0.00 60.65 59.40 1iru s ILE 39 Cb 0.34 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 1iru s ILE 39 CO -0.09 0.30 0.73 -0.55 0.24 0.00 0.00 174.94 175.56 1iru s SER 40 N -1.05 6.88 -0.27 4.36 0.15 -1.26 -4.31 113.70 118.19 1iru s SER 40 Ca 0.09 1.07 0.12 0.00 0.70 0.00 0.00 55.95 57.92 1iru s SER 40 Cb -0.09 -2.41 0.60 0.00 -1.71 0.00 0.00 66.02 62.41 1iru s SER 40 CO 0.01 -0.27 1.58 0.54 1.20 0.00 0.00 173.24 176.30 1iru n ARG 41 N 4.73 2.79 -4.31 5.44 1.74 -1.26 -4.93 116.66 120.87 1iru n ARG 41 Ca 0.01 -3.03 -0.23 0.00 -0.77 0.00 0.00 57.85 53.82 1iru n ARG 41 Cb 0.50 -1.97 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 1iru n ARG 41 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1iru s ILE 42 N -3.04 1.77 0.00 0.55 -1.09 -1.26 -1.90 121.20 116.24 1iru s ILE 42 Ca 0.48 -1.69 -0.04 0.00 -2.23 0.00 0.00 60.65 57.17 1iru s ILE 42 Cb 0.40 -1.68 -0.00 0.00 -1.58 0.00 0.00 42.46 39.59 1iru s ILE 42 CO 0.08 -0.15 0.07 -0.32 -1.23 0.00 0.00 174.94 173.38 1iru s MET 43 N -2.25 0.35 -0.37 2.79 -2.45 0.59 -4.99 119.30 112.97 1iru s MET 43 Ca 0.10 -0.38 -0.15 0.00 -1.25 0.00 0.00 55.69 54.02 1iru s MET 43 Cb -0.08 0.14 0.00 0.00 1.25 0.00 0.00 34.83 36.14 1iru s MET 43 CO 0.05 -0.07 0.32 -0.98 1.05 0.00 0.00 175.02 175.39 1iru s ARG 44 N -1.15 3.31 -0.50 4.11 3.03 -1.26 -0.70 118.95 125.78 1iru s ARG 44 Ca -0.12 -0.71 -0.15 0.00 2.03 0.00 0.00 55.73 56.77 1iru s ARG 44 Cb -0.07 -3.88 0.10 0.00 -1.03 0.00 0.00 34.95 30.07 1iru s ARG 44 CO 0.00 -0.61 0.44 0.08 -1.13 0.00 0.00 175.30 174.08 1iru s VAL 45 N 1.85 5.18 0.19 4.99 1.01 -0.14 -4.99 120.40 128.50 1iru s VAL 45 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1iru s VAL 45 Cb -0.18 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1iru s VAL 45 CO 0.11 -0.73 0.00 -0.46 0.00 0.00 0.00 175.10 174.03 1iru n ASN 46 N 5.21 -3.61 0.27 3.32 2.04 -1.26 -3.00 115.26 118.24 1iru n ASN 46 Ca -0.13 0.40 0.18 0.00 -0.44 0.00 0.00 54.58 54.58 1iru n ASN 46 Cb 0.42 -2.71 0.96 0.00 -2.53 0.00 0.00 39.78 35.92 1iru n ASN 46 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 1iru h ASN 47 N -1.06 0.00 -0.04 0.53 2.35 -1.95 -3.15 115.58 112.26 1iru h ASN 47 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1iru h ASN 47 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1iru h ASN 47 CO 0.02 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.26 1iru n SER 48 N -2.76 1.65 -3.82 5.81 3.41 -1.26 -3.84 113.62 112.81 1iru n SER 48 Ca -0.02 -1.48 -0.12 0.00 -0.26 0.00 0.00 58.87 56.98 1iru n SER 48 Cb 0.09 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1iru n SER 48 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1iru s THR 49 N -0.55 -0.00 0.15 6.66 -4.23 -1.16 -1.36 115.64 115.15 1iru s THR 49 Ca 0.04 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1iru s THR 49 Cb 0.03 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1iru s THR 49 CO 0.04 0.00 -0.10 0.00 -0.54 0.00 0.00 174.62 174.02 1iru s MET 50 N 0.11 1.08 0.01 3.99 0.23 0.26 -0.97 119.30 124.01 1iru s MET 50 Ca -0.00 -1.47 0.01 0.00 -1.03 0.00 0.00 55.69 53.21 1iru s MET 50 Cb -0.01 -0.65 -0.01 0.00 -1.53 0.00 0.00 34.83 32.62 1iru s MET 50 CO -0.00 0.08 -0.05 -1.17 -2.03 0.00 0.00 175.02 171.85 1iru s LEU 51 N -3.18 2.08 -0.04 0.18 2.96 0.12 0.09 118.68 120.88 1iru s LEU 51 Ca 0.17 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1iru s LEU 51 Cb 0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.52 1iru s LEU 51 CO 0.01 -0.02 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.03 1iru s GLY 52 N -0.51 0.86 -0.04 7.98 0.00 0.21 -0.30 107.32 115.51 1iru s GLY 52 Ca -0.02 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.14 1iru s GLY 52 CO -0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 173.10 172.63 1iru s ALA 53 N 0.14 1.76 0.22 3.20 0.00 -0.80 -0.34 121.76 125.94 1iru s ALA 53 Ca -0.05 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1iru s ALA 53 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1iru s ALA 53 CO 0.02 0.34 0.23 -1.12 0.00 0.00 0.00 175.76 175.23 1iru s SER 54 N -0.10 5.79 0.00 0.00 0.01 0.00 -4.83 113.70 114.56 1iru s SER 54 Ca -0.02 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1iru s SER 54 Cb -0.12 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1iru s SER 54 CO 0.02 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1iru n GLY 55 N -0.94 -0.76 3.61 3.44 0.00 -0.38 -2.19 105.19 107.96 1iru n GLY 55 Ca -0.08 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 1iru n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iru s ASP 56 N -4.00 5.74 0.37 1.61 2.15 0.86 -0.87 116.67 122.53 1iru s ASP 56 Ca 0.00 1.74 0.05 0.00 0.43 0.00 0.00 52.55 54.76 1iru s ASP 56 Cb 0.00 -2.52 0.73 0.00 -0.30 0.00 0.00 42.92 40.83 1iru s ASP 56 CO 0.00 -1.76 2.00 0.22 -0.17 0.00 0.00 175.17 175.47 1iru h TYR 57 N 13.68 0.71 -0.58 -5.34 3.20 -1.34 -1.60 116.97 125.70 1iru h TYR 57 Ca -0.39 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.48 1iru h TYR 57 Cb 1.21 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1iru h TYR 57 CO 0.94 0.42 0.30 0.00 -1.64 0.00 0.00 178.16 178.19 1iru h ALA 58 N 1.64 0.75 -0.41 1.82 0.00 -1.89 0.83 119.26 121.99 1iru h ALA 58 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1iru h ALA 58 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1iru h ALA 58 CO -0.07 0.29 0.10 -0.44 0.00 0.00 0.00 179.25 179.13 1iru h ASP 59 N 0.79 0.62 -0.80 0.00 3.32 -1.77 -2.18 116.42 116.40 1iru h ASP 59 Ca 0.20 -0.23 0.09 0.00 0.02 0.00 0.00 57.03 57.11 1iru h ASP 59 Cb 0.08 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 1iru h ASP 59 CO -0.03 0.69 0.45 0.15 -1.72 0.00 0.00 179.24 178.78 1iru h PHE 60 N 0.52 0.82 -0.51 4.55 3.57 -0.77 0.15 116.94 125.27 1iru h PHE 60 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1iru h PHE 60 Cb 0.31 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1iru h PHE 60 CO 0.02 0.35 0.28 1.96 -2.23 0.00 0.00 178.31 178.68 1iru h GLN 61 N 0.78 0.70 0.15 1.11 4.20 -0.43 -0.34 115.11 121.27 1iru h GLN 61 Ca 0.38 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1iru h GLN 61 Cb 0.32 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1iru h GLN 61 CO -0.23 0.52 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.46 1iru h TYR 62 N 0.71 -0.18 -0.75 2.96 3.20 -0.17 0.30 116.97 123.04 1iru h TYR 62 Ca 0.18 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1iru h TYR 62 Cb 0.02 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1iru h TYR 62 CO 0.00 -0.02 0.50 -0.07 -1.64 0.00 0.00 178.16 176.93 1iru h LEU 63 N -0.31 0.86 -1.32 2.82 3.38 -0.63 0.69 115.31 120.80 1iru h LEU 63 Ca -0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1iru h LEU 63 Cb 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1iru h LEU 63 CO 0.03 0.62 -0.06 0.50 0.09 0.00 0.00 178.44 179.62 1iru h LYS 64 N 1.01 0.38 0.06 1.13 3.64 -0.67 0.18 116.57 122.30 1iru h LYS 64 Ca 0.28 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1iru h LYS 64 Cb -0.10 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1iru h LYS 64 CO -0.06 0.46 -0.03 0.37 -2.27 0.00 0.00 179.45 177.92 1iru h GLN 65 N 0.36 -0.08 -0.50 1.90 4.15 0.12 -2.14 115.11 118.93 1iru h GLN 65 Ca 0.08 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1iru h GLN 65 Cb 0.34 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1iru h GLN 65 CO 0.02 0.47 0.20 0.28 -1.93 0.00 0.00 178.83 177.86 1iru h VAL 66 N -0.70 1.21 -0.27 2.39 2.07 -0.95 -2.28 116.25 117.72 1iru h VAL 66 Ca -0.01 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1iru h VAL 66 Cb 0.59 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1iru h VAL 66 CO 0.01 0.25 -0.05 -0.07 0.02 0.00 0.00 177.57 177.73 1iru h LEU 67 N 0.66 0.40 -0.32 2.57 3.38 -0.73 -1.77 115.31 119.51 1iru h LEU 67 Ca 0.17 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1iru h LEU 67 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1iru h LEU 67 CO -0.01 0.50 -0.08 1.23 0.09 0.00 0.00 178.44 180.16 1iru h GLY 68 N 0.79 0.67 1.01 0.83 0.00 -1.09 -1.92 103.07 103.37 1iru h GLY 68 Ca 0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1iru h GLY 68 CO 0.01 0.51 0.36 1.46 0.00 0.00 0.00 176.54 178.88 1iru h GLN 69 N 0.39 1.03 -0.45 4.80 1.08 -1.15 -1.02 115.11 119.80 1iru h GLN 69 Ca 0.08 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1iru h GLN 69 Cb 0.57 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1iru h GLN 69 CO 0.03 0.80 0.22 0.52 -0.95 0.00 0.00 178.83 179.46 1iru h MET 70 N 1.00 0.43 -0.31 1.46 2.86 -1.12 0.26 114.93 119.52 1iru h MET 70 Ca 0.25 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1iru h MET 70 Cb 0.10 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1iru h MET 70 CO -0.03 0.28 0.11 0.28 1.06 0.00 0.00 176.91 178.61 1iru h VAL 71 N 0.44 1.19 -0.08 -2.22 2.07 -1.08 -1.36 116.25 115.21 1iru h VAL 71 Ca 0.19 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1iru h VAL 71 Cb 0.10 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1iru h VAL 71 CO -0.14 0.20 -0.09 0.40 0.02 0.00 0.00 177.57 177.97 1iru h ILE 72 N 0.35 0.75 -0.34 4.57 2.04 -0.65 0.08 117.51 124.30 1iru h ILE 72 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1iru h ILE 72 Cb 0.21 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1iru h ILE 72 CO -0.01 0.00 -0.27 0.44 0.00 0.00 0.00 178.15 178.31 1iru h ASP 73 N -0.11 -0.89 -0.62 1.72 3.32 -0.24 -1.01 116.42 118.59 1iru h ASP 73 Ca 0.06 0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1iru h ASP 73 Cb 0.20 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1iru h ASP 73 CO -0.15 -0.29 0.39 -0.08 -1.72 0.00 0.00 179.24 177.39 1iru h GLU 74 N -0.23 0.76 -0.10 3.56 4.81 -0.77 -2.05 114.58 120.57 1iru h GLU 74 Ca 0.17 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1iru h GLU 74 Cb 0.49 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1iru h GLU 74 CO -0.47 0.50 0.07 0.93 -0.73 0.00 0.00 179.01 179.31 1iru h GLU 75 N 0.79 0.08 -0.21 1.92 5.08 0.23 -1.84 114.58 120.62 1iru h GLU 75 Ca 0.24 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1iru h GLU 75 Cb -0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1iru h GLU 75 CO -0.09 0.05 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.90 1iru h LEU 76 N 0.08 0.28 -0.75 1.33 3.38 -0.49 -2.28 115.31 116.86 1iru h LEU 76 Ca 0.04 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1iru h LEU 76 Cb 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1iru h LEU 76 CO -0.01 0.34 -0.62 -0.07 0.09 0.00 0.00 178.44 178.17 1iru h LEU 77 N 0.30 0.00 -1.19 1.67 3.38 -1.36 -3.46 115.31 114.65 1iru h LEU 77 Ca 0.07 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.44 1iru h LEU 77 Cb 0.21 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.59 1iru h LEU 77 CO 0.00 0.62 -0.87 0.61 0.09 0.00 0.00 178.44 178.89 1iru n GLY 78 N 0.27 -0.38 0.87 0.83 0.00 -0.86 -4.74 105.19 101.18 1iru n GLY 78 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1iru n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iru n ASP 79 N -2.33 2.45 -0.30 1.61 3.85 -1.26 -4.87 116.55 115.70 1iru n ASP 79 Ca 0.11 -2.21 -0.04 0.00 -0.71 0.00 0.00 54.79 51.94 1iru n ASP 79 Cb 0.43 -0.41 -0.02 0.00 -1.35 0.00 0.00 41.12 39.78 1iru n ASP 79 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iru n GLY 80 N 0.63 0.67 3.24 6.12 0.00 -1.26 -5.02 105.19 109.58 1iru n GLY 80 Ca 0.12 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1iru n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iru s HIS 81 N -2.06 1.80 -0.26 1.61 4.02 -1.26 -5.14 115.29 114.01 1iru s HIS 81 Ca 0.00 -0.37 -0.25 0.00 1.02 0.00 0.00 55.06 55.45 1iru s HIS 81 Cb 0.00 -1.09 0.08 0.00 -1.02 0.00 0.00 32.58 30.56 1iru s HIS 81 CO 0.00 0.07 0.80 -1.54 1.02 0.00 0.00 174.74 175.10 1iru s SER 82 N -1.09 -0.66 0.20 1.40 1.04 -1.26 -4.89 113.70 108.44 1iru s SER 82 Ca 0.07 1.24 -0.32 0.00 0.48 0.00 0.00 55.95 57.42 1iru s SER 82 Cb -0.09 1.24 -0.15 0.00 0.10 0.00 0.00 66.02 67.12 1iru s SER 82 CO 0.01 -0.25 1.24 -1.22 0.98 0.00 0.00 173.24 174.00 1iru n TYR 83 N 2.42 1.57 -2.82 5.02 4.02 -1.26 -4.99 117.16 121.11 1iru n TYR 83 Ca -0.14 0.60 -0.19 0.00 -0.01 0.00 0.00 57.90 58.16 1iru n TYR 83 Cb 0.55 -2.34 0.03 0.00 -0.02 0.00 0.00 39.34 37.57 1iru n TYR 83 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1iru s SER 84 N 0.07 5.42 0.16 7.72 1.04 -1.26 -4.89 113.70 121.95 1iru s SER 84 Ca 0.71 -0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.73 1iru s SER 84 Cb -0.78 -0.70 0.07 0.00 0.10 0.00 0.00 66.02 64.71 1iru s SER 84 CO 0.52 -0.99 1.74 -0.65 0.98 0.00 0.00 173.24 174.84 1iru h PRO 85 N 0.32 0.24 -0.82 4.02 0.11 -1.93 -1.54 132.00 132.41 1iru h PRO 85 Ca -0.40 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.70 1iru h PRO 85 Cb 1.29 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1iru h PRO 85 CO 0.48 0.16 0.54 -0.09 -0.21 0.00 0.00 178.00 178.88 1iru h ARG 86 N 0.25 1.08 0.11 1.05 2.43 -1.97 -1.03 114.38 116.31 1iru h ARG 86 Ca 0.17 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1iru h ARG 86 Cb 0.17 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1iru h ARG 86 CO -0.19 0.72 -0.05 0.00 -1.51 0.00 0.00 179.97 178.93 1iru h ALA 87 N 1.48 -0.15 -0.76 2.80 0.00 -1.71 0.25 119.26 121.18 1iru h ALA 87 Ca 0.30 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1iru h ALA 87 Cb -0.13 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1iru h ALA 87 CO -0.06 -0.55 0.48 0.82 0.00 0.00 0.00 179.25 179.94 1iru h ILE 88 N -0.23 1.10 -0.26 0.00 1.08 -1.00 0.03 117.51 118.23 1iru h ILE 88 Ca -0.02 -0.32 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1iru h ILE 88 Cb 0.19 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1iru h ILE 88 CO 0.03 0.17 -0.11 -0.74 -0.69 0.00 0.00 178.15 176.80 1iru h HIS 89 N 0.93 0.45 -0.12 1.37 2.76 -0.89 -1.28 115.15 118.37 1iru h HIS 89 Ca 0.31 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1iru h HIS 89 Cb 0.03 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 1iru h HIS 89 CO -0.04 0.53 -0.17 1.03 -1.30 0.00 0.00 177.93 177.98 1iru h SER 90 N 0.39 0.36 -0.46 3.26 0.87 0.68 -2.39 113.55 116.26 1iru h SER 90 Ca 0.08 -0.52 0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1iru h SER 90 Cb 0.44 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1iru h SER 90 CO 0.02 0.81 0.27 -0.25 -0.53 0.00 0.00 176.83 177.15 1iru h TRP 91 N -0.08 0.50 -0.85 2.24 7.01 -0.89 -1.77 115.95 122.11 1iru h TRP 91 Ca 0.01 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.05 1iru h TRP 91 Cb 0.73 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 1iru h TRP 91 CO 0.10 0.28 0.56 1.25 -2.79 0.00 0.00 178.44 177.84 1iru h LEU 92 N 0.54 0.95 -0.68 0.65 5.85 -1.20 0.16 115.31 121.57 1iru h LEU 92 Ca 0.19 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1iru h LEU 92 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1iru h LEU 92 CO -0.09 0.68 -0.19 0.74 -0.34 0.00 0.00 178.44 179.23 1iru h THR 93 N 1.12 1.27 -0.25 1.05 2.02 -0.87 0.22 112.91 117.46 1iru h THR 93 Ca 0.32 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 1iru h THR 93 Cb -0.08 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1iru h THR 93 CO -0.08 0.44 -0.04 0.03 0.37 0.00 0.00 175.52 176.24 1iru h ARG 94 N 0.72 0.47 0.57 6.66 -0.00 -0.47 -1.34 114.38 120.99 1iru h ARG 94 Ca 0.10 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.98 59.39 1iru h ARG 94 Cb 0.71 -0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.65 1iru h ARG 94 CO 0.05 0.67 -0.27 0.00 0.00 0.00 0.00 179.97 180.43 1iru h ALA 95 N 0.78 -0.76 -0.89 0.04 0.00 -0.46 0.82 119.26 118.79 1iru h ALA 95 Ca 0.07 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1iru h ALA 95 Cb 0.49 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1iru h ALA 95 CO 0.02 -0.90 0.58 0.52 0.00 0.00 0.00 179.25 179.46 1iru h MET 96 N -0.81 0.92 -0.26 0.00 2.86 -0.60 -1.74 114.93 115.29 1iru h MET 96 Ca -0.08 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.40 1iru h MET 96 Cb 0.60 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1iru h MET 96 CO 0.13 0.61 -0.26 -0.92 1.06 0.00 0.00 176.91 177.53 1iru h TYR 97 N 0.95 0.77 -0.24 -0.22 3.20 -1.02 -1.76 116.97 118.65 1iru h TYR 97 Ca 0.39 -0.23 0.05 0.00 3.14 0.00 0.00 58.73 62.08 1iru h TYR 97 Cb 0.29 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1iru h TYR 97 CO -0.00 0.95 -0.09 1.03 -1.64 0.00 0.00 178.16 178.41 1iru h SER 98 N 0.36 -0.31 -0.36 -2.11 0.87 -0.26 -0.03 113.55 111.72 1iru h SER 98 Ca 0.04 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1iru h SER 98 Cb 0.83 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1iru h SER 98 CO 0.06 -0.12 -0.00 0.03 -0.53 0.00 0.00 176.83 176.27 1iru h ARG 99 N -0.05 0.73 -0.32 2.24 2.47 -1.30 -1.78 114.38 116.37 1iru h ARG 99 Ca 0.12 -0.19 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1iru h ARG 99 Cb 0.23 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1iru h ARG 99 CO -0.27 0.75 -0.08 -0.09 0.56 0.00 0.00 179.97 180.84 1iru h ARG 100 N 0.69 0.53 0.00 0.04 1.12 -0.77 -1.91 114.38 114.07 1iru h ARG 100 Ca 0.14 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1iru h ARG 100 Cb 0.43 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1iru h ARG 100 CO 0.02 0.62 0.00 0.43 -3.11 0.00 0.00 179.97 177.93 1iru n SER 101 N -4.22 0.21 -1.23 -3.80 7.64 -0.07 -1.61 113.62 110.53 1iru n SER 101 Ca 0.01 0.54 0.12 0.00 1.01 0.00 0.00 58.87 60.54 1iru n SER 101 Cb 0.30 -0.59 0.26 0.00 -1.01 0.00 0.00 64.21 63.17 1iru n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iru n LYS 102 N -1.72 2.59 -1.51 1.43 5.02 -0.90 -4.92 118.16 118.16 1iru n LYS 102 Ca 0.05 -2.44 -0.18 0.00 -2.02 0.00 0.00 58.31 53.72 1iru n LYS 102 Cb 0.27 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1iru n LYS 102 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1iru n MET 103 N 1.56 -1.23 -3.36 1.97 2.81 -0.63 -4.90 117.12 113.33 1iru n MET 103 Ca 0.21 1.12 -0.26 0.00 -1.81 0.00 0.00 57.70 56.96 1iru n MET 103 Cb 0.61 -5.37 -0.08 0.00 -0.71 0.00 0.00 33.22 27.67 1iru n MET 103 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1iru n ASN 104 N -0.86 1.25 -4.75 7.83 5.15 -0.77 -4.95 115.26 118.16 1iru n ASN 104 Ca -0.18 -2.88 -0.32 0.00 -0.60 0.00 0.00 54.58 50.61 1iru n ASN 104 Cb 0.58 -0.64 0.09 0.00 -0.53 0.00 0.00 39.78 39.27 1iru n ASN 104 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1iru s PRO 105 N -1.31 2.24 -0.35 1.20 0.04 -1.21 -4.34 135.00 131.27 1iru s PRO 105 Ca 0.35 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1iru s PRO 105 Cb 0.12 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1iru s PRO 105 CO -0.11 -1.69 0.34 -0.51 0.04 0.00 0.00 177.00 175.07 1iru s LEU 106 N -5.51 4.51 -1.11 -3.56 1.43 -1.26 -1.25 118.68 111.94 1iru s LEU 106 Ca 0.66 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 1iru s LEU 106 Cb -0.21 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 1iru s LEU 106 CO 0.49 -0.33 2.17 1.87 0.23 0.00 0.00 176.35 180.77 1iru n TRP 107 N 5.32 2.39 -4.04 0.29 -0.00 -1.26 -4.59 117.44 115.55 1iru n TRP 107 Ca -0.10 -2.35 -0.09 0.00 -0.00 0.00 0.00 57.50 54.96 1iru n TRP 107 Cb 0.49 -2.06 -0.11 0.00 -0.00 0.00 0.00 31.31 29.63 1iru n TRP 107 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1iru s ASN 108 N 3.85 0.47 -0.09 5.87 0.01 -1.26 -0.10 114.94 123.70 1iru s ASN 108 Ca 0.52 -0.72 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 1iru s ASN 108 Cb 0.14 0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.94 1iru s ASN 108 CO 0.01 -0.41 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.13 1iru s THR 109 N -2.48 1.54 0.11 1.60 2.01 -0.93 -2.65 115.64 114.83 1iru s THR 109 Ca -0.05 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.31 1iru s THR 109 Cb -0.02 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1iru s THR 109 CO -0.04 0.45 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.13 1iru s MET 110 N 0.61 1.03 -0.20 4.92 -1.94 0.57 -0.82 119.30 123.47 1iru s MET 110 Ca -0.15 -1.18 -0.02 0.00 -1.71 0.00 0.00 55.69 52.64 1iru s MET 110 Cb -0.16 -1.03 0.00 0.00 2.01 0.00 0.00 34.83 35.65 1iru s MET 110 CO 0.05 0.22 -0.11 0.08 -0.01 0.00 0.00 175.02 175.24 1iru s VAL 111 N -1.74 2.79 -0.27 -6.03 1.01 0.54 -1.72 120.40 114.97 1iru s VAL 111 Ca 0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1iru s VAL 111 Cb -0.07 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1iru s VAL 111 CO 0.04 0.48 0.17 -0.63 0.00 0.00 0.00 175.10 175.15 1iru s ILE 112 N 1.37 5.19 -0.13 2.22 -1.09 0.13 -0.62 121.20 128.28 1iru s ILE 112 Ca 0.05 0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.59 1iru s ILE 112 Cb -0.14 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 1iru s ILE 112 CO -0.07 0.27 -0.10 -0.83 -1.23 0.00 0.00 174.94 172.98 1iru s GLY 113 N 1.67 1.61 0.18 6.18 0.00 0.11 -0.60 107.32 116.47 1iru s GLY 113 Ca 0.07 -0.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.76 1iru s GLY 113 CO 0.09 -0.24 0.46 -0.32 0.00 0.00 0.00 173.10 173.09 1iru s GLY 114 N 0.17 0.05 -0.08 0.20 0.00 0.11 0.89 107.32 108.65 1iru s GLY 114 Ca -0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 1iru s GLY 114 CO 0.04 -0.41 0.17 -0.47 0.00 0.00 0.00 173.10 172.42 1iru s TYR 115 N -3.90 -0.20 -0.29 1.90 5.04 -0.46 0.13 117.35 119.58 1iru s TYR 115 Ca 0.11 0.62 -0.15 0.00 -2.44 0.00 0.00 57.07 55.21 1iru s TYR 115 Cb 0.00 -0.20 0.10 0.00 0.35 0.00 0.00 41.96 42.21 1iru s TYR 115 CO -0.02 -0.26 0.76 0.00 -1.34 0.00 0.00 175.55 174.69 1iru s ALA 116 N 2.06 -2.02 -0.53 3.97 0.00 -0.80 -4.72 121.76 119.73 1iru s ALA 116 Ca 0.00 2.35 -0.03 0.00 0.00 0.00 0.00 51.96 54.29 1iru s ALA 116 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1iru s ALA 116 CO -0.06 -0.47 0.45 -0.25 0.00 0.00 0.00 175.76 175.43 1iru n ASP 117 N 4.37 -3.33 0.00 0.00 8.00 -1.26 -3.11 116.55 121.22 1iru n ASP 117 Ca -0.18 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1iru n ASP 117 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.36 1iru n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iru n GLY 118 N -1.09 0.20 3.69 0.44 0.00 -1.26 -4.95 105.19 102.22 1iru n GLY 118 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1iru n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iru s GLU 119 N -0.89 2.62 -0.10 1.61 0.41 -1.18 -4.80 118.70 116.38 1iru s GLU 119 Ca 0.00 -0.78 -0.14 0.00 -0.41 0.00 0.00 54.97 53.64 1iru s GLU 119 Cb 0.00 -2.58 -0.05 0.00 -1.78 0.00 0.00 34.13 29.72 1iru s GLU 119 CO 0.00 0.56 0.36 -1.12 -0.49 0.00 0.00 175.26 174.57 1iru s SER 120 N -2.13 6.60 -0.09 -0.19 0.01 -1.26 -1.90 113.70 114.74 1iru s SER 120 Ca 0.24 0.71 0.03 0.00 1.31 0.00 0.00 55.95 58.25 1iru s SER 120 Cb -0.12 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1iru s SER 120 CO 0.17 0.18 -0.17 0.12 0.41 0.00 0.00 173.24 173.94 1iru s PHE 121 N -0.12 2.68 -0.16 2.43 5.36 0.35 -4.97 117.98 123.55 1iru s PHE 121 Ca 0.21 -0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1iru s PHE 121 Cb -0.15 -1.72 0.08 0.00 -0.34 0.00 0.00 43.02 40.90 1iru s PHE 121 CO 0.08 -0.11 0.22 -1.17 -1.46 0.00 0.00 175.22 172.78 1iru s LEU 122 N -0.09 -0.15 0.06 6.12 2.96 -1.25 0.08 118.68 126.40 1iru s LEU 122 Ca -0.03 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1iru s LEU 122 Cb -0.14 0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.96 1iru s LEU 122 CO 0.04 -0.29 -0.15 -0.83 -1.32 0.00 0.00 176.35 173.80 1iru s GLY 123 N 2.34 0.87 -0.04 7.98 0.00 0.23 -2.69 107.32 116.01 1iru s GLY 123 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1iru s GLY 123 CO -0.10 -0.93 -0.01 -0.47 0.00 0.00 0.00 173.10 171.60 1iru s TYR 124 N -1.03 3.09 -0.12 1.90 5.04 -0.11 0.20 117.35 126.31 1iru s TYR 124 Ca 0.01 0.11 -0.05 0.00 -2.44 0.00 0.00 57.07 54.70 1iru s TYR 124 Cb -0.09 -1.71 0.06 0.00 0.35 0.00 0.00 41.96 40.57 1iru s TYR 124 CO 0.02 0.45 0.26 0.08 -1.34 0.00 0.00 175.55 175.02 1iru s VAL 125 N -0.99 -0.25 0.79 3.14 1.01 -0.70 -2.65 120.40 120.75 1iru s VAL 125 Ca 0.17 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 1iru s VAL 125 Cb -0.11 -0.43 0.11 0.00 0.00 0.00 0.00 36.38 35.95 1iru s VAL 125 CO 0.07 0.09 1.12 -1.81 0.00 0.00 0.00 175.10 174.56 1iru s ASP 126 N 1.91 4.25 0.13 3.32 1.11 -0.43 -0.31 116.67 126.65 1iru s ASP 126 Ca -0.04 0.34 0.25 0.00 0.18 0.00 0.00 52.55 53.28 1iru s ASP 126 Cb -0.11 -0.76 0.57 0.00 1.07 0.00 0.00 42.92 43.68 1iru s ASP 126 CO -0.09 -1.98 1.51 1.15 1.18 0.00 0.00 175.17 176.95 1iru n MET 127 N -3.19 0.24 0.00 8.23 0.00 -1.09 -2.87 117.12 118.44 1iru n MET 127 Ca 0.11 0.11 0.11 0.00 0.00 0.00 0.00 57.70 58.03 1iru n MET 127 Cb 0.60 -1.69 0.11 0.00 0.00 0.00 0.00 33.22 32.24 1iru n MET 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1iru n LEU 128 N -2.06 0.85 0.00 3.17 4.77 -1.26 -4.36 117.00 118.11 1iru n LEU 128 Ca 0.04 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1iru n LEU 128 Cb 0.42 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1iru n LEU 128 CO 0.34 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1iru n GLY 129 N 1.48 0.87 3.70 -0.72 0.00 -1.14 -4.63 105.19 104.76 1iru n GLY 129 Ca 0.06 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1iru n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 130 N -2.00 4.64 0.01 1.61 1.01 -1.26 -4.81 120.40 119.59 1iru s VAL 130 Ca 0.00 1.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.83 1iru s VAL 130 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1iru s VAL 130 CO 0.00 0.11 0.08 0.00 0.00 0.00 0.00 175.10 175.29 1iru s ALA 131 N 1.29 -0.17 0.06 5.51 0.00 -1.26 -1.31 121.76 125.88 1iru s ALA 131 Ca 0.53 -0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 1iru s ALA 131 Cb -0.23 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.11 1iru s ALA 131 CO 0.26 -0.19 1.04 1.52 0.00 0.00 0.00 175.76 178.39 1iru s TYR 132 N -1.42 -0.15 0.05 0.00 -0.85 -1.09 -4.99 117.35 108.91 1iru s TYR 132 Ca -0.15 -0.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.40 1iru s TYR 132 Cb -0.08 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 1iru s TYR 132 CO 0.01 -0.60 -0.09 -1.21 -1.52 0.00 0.00 175.55 172.13 1iru s GLU 133 N -2.99 2.32 0.00 -3.49 2.02 -1.26 -0.94 118.70 114.37 1iru s GLU 133 Ca 0.11 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 53.94 1iru s GLU 133 Cb 0.00 -2.38 0.10 0.00 0.10 0.00 0.00 34.13 31.95 1iru s GLU 133 CO -0.02 0.56 0.83 0.00 0.02 0.00 0.00 175.26 176.65 1iru s ALA 134 N -1.07 -1.79 0.37 5.21 0.00 -1.10 -5.02 121.76 118.35 1iru s ALA 134 Ca 0.19 1.01 0.23 0.00 0.00 0.00 0.00 51.96 53.39 1iru s ALA 134 Cb -0.11 0.33 1.19 0.00 0.00 0.00 0.00 23.12 24.53 1iru s ALA 134 CO 0.10 -0.63 1.98 -1.00 0.00 0.00 0.00 175.76 176.21 1iru h PRO 135 N 2.14 0.00 -3.77 0.00 0.13 -1.95 -3.41 132.00 125.14 1iru h PRO 135 Ca -0.24 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.67 1iru h PRO 135 Cb 1.24 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.10 1iru h PRO 135 CO 0.33 0.19 -0.71 -1.54 -0.23 0.00 0.00 178.00 176.04 1iru s SER 136 N -6.38 0.05 -0.00 1.44 1.04 -1.26 -2.04 113.70 106.54 1iru s SER 136 Ca -0.02 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1iru s SER 136 Cb 0.13 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 1iru s SER 136 CO 0.63 -0.07 -0.03 -0.76 0.98 0.00 0.00 173.24 173.99 1iru s LEU 137 N -0.32 2.01 -0.17 2.42 1.43 0.24 -5.00 118.68 119.29 1iru s LEU 137 Ca -0.04 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1iru s LEU 137 Cb -0.02 -0.16 0.08 0.00 0.03 0.00 0.00 46.19 46.13 1iru s LEU 137 CO -0.00 0.03 0.34 0.00 0.23 0.00 0.00 176.35 176.96 1iru s ALA 138 N -0.08 -0.86 0.48 4.21 0.00 -1.26 -0.31 121.76 123.93 1iru s ALA 138 Ca 0.01 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.23 1iru s ALA 138 Cb -0.01 -1.22 0.04 0.00 0.00 0.00 0.00 23.12 21.93 1iru s ALA 138 CO -0.00 -0.76 0.62 0.95 0.00 0.00 0.00 175.76 176.58 1iru s THR 139 N 2.52 2.60 0.00 0.00 -4.23 -0.59 -3.35 115.64 112.58 1iru s THR 139 Ca 0.01 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1iru s THR 139 Cb -0.12 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1iru s THR 139 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1iru n GLY 140 N -1.96 2.83 0.21 3.99 0.00 -1.26 -1.25 105.19 107.75 1iru n GLY 140 Ca 0.10 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.83 1iru n GLY 140 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iru h TYR 141 N 0.00 0.00 -0.62 1.61 -1.99 -1.94 -2.33 116.97 111.70 1iru h TYR 141 Ca 0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1iru h TYR 141 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1iru h TYR 141 CO 0.00 0.29 0.61 0.78 -0.00 0.00 0.00 178.16 179.84 1iru h GLY 142 N 1.13 0.00 2.00 3.88 0.00 -1.48 0.44 103.07 109.05 1iru h GLY 142 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iru h GLY 142 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1iru n ALA 143 N -2.41 1.91 -0.03 3.60 0.00 -0.88 -0.61 120.51 122.10 1iru n ALA 143 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1iru n ALA 143 Cb 0.84 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 1iru n ALA 143 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iru n TYR 144 N -1.65 0.00 -0.09 0.00 4.02 0.15 -4.55 117.16 115.04 1iru n TYR 144 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.82 1iru n TYR 144 Cb 0.25 -0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 39.15 1iru n TYR 144 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1iru n LEU 145 N -2.14 2.90 -0.09 7.72 4.77 -0.67 -4.67 117.00 124.82 1iru n LEU 145 Ca -0.09 -0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 55.63 1iru n LEU 145 Cb 0.59 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1iru n LEU 145 CO 0.18 0.78 -0.41 0.00 -1.33 0.00 0.00 177.39 176.61 1iru h ALA 146 N 0.02 0.17 -0.86 -1.18 0.00 -1.06 -3.40 119.26 112.96 1iru h ALA 146 Ca -0.39 -0.96 0.24 0.00 0.00 0.00 0.00 54.91 53.81 1iru h ALA 146 Cb 1.61 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.99 1iru h ALA 146 CO -0.06 0.60 0.61 0.37 0.00 0.00 0.00 179.25 180.77 1iru h GLN 147 N -1.00 0.03 -0.09 0.00 5.75 -1.43 0.11 115.11 118.48 1iru h GLN 147 Ca -0.23 -0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.13 1iru h GLN 147 Cb 1.04 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1iru h GLN 147 CO -0.14 0.02 -0.55 -1.35 -2.65 0.00 0.00 178.83 174.17 1iru h PRO 148 N 0.04 0.25 0.08 -2.39 0.11 -1.83 -2.00 132.00 126.26 1iru h PRO 148 Ca 0.41 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1iru h PRO 148 Cb 1.59 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.72 1iru h PRO 148 CO -0.02 0.74 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.39 1iru h LEU 149 N 0.20 -0.10 -0.45 2.35 3.38 -1.03 -2.01 115.31 117.65 1iru h LEU 149 Ca 0.00 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.62 1iru h LEU 149 Cb 1.02 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 1iru h LEU 149 CO 0.09 0.42 -0.02 -0.07 0.09 0.00 0.00 178.44 178.95 1iru h LEU 150 N -0.65 -0.23 -0.22 1.67 3.38 -1.30 -1.58 115.31 116.38 1iru h LEU 150 Ca -0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1iru h LEU 150 Cb 0.53 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1iru h LEU 150 CO 0.02 -0.08 0.09 0.03 0.09 0.00 0.00 178.44 178.59 1iru h ARG 151 N 0.09 0.32 -0.75 1.13 3.08 -1.42 -1.93 114.38 114.89 1iru h ARG 151 Ca 0.22 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.35 1iru h ARG 151 Cb 0.33 -0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.19 1iru h ARG 151 CO -0.39 0.37 -0.28 1.49 -1.07 0.00 0.00 179.97 180.09 1iru h GLU 152 N 0.20 -0.06 -0.03 0.04 4.81 -0.61 0.21 114.58 119.13 1iru h GLU 152 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1iru h GLU 152 Cb 0.16 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1iru h GLU 152 CO -0.01 -0.04 0.02 0.28 -0.73 0.00 0.00 179.01 178.53 1iru h VAL 153 N -0.06 1.08 0.00 0.32 2.07 -1.12 -3.07 116.25 115.47 1iru h VAL 153 Ca 0.32 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1iru h VAL 153 Cb 0.57 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1iru h VAL 153 CO -0.79 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 176.79 1iru h LEU 154 N -0.04 0.00 -0.23 2.57 3.38 -0.34 -2.20 115.31 118.45 1iru h LEU 154 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iru h LEU 154 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iru h LEU 154 CO -0.00 0.00 -0.05 1.21 0.09 0.00 0.00 178.44 179.69 1iru n GLU 155 N -2.69 0.87 0.00 1.13 2.13 0.58 -3.06 120.64 119.61 1iru n GLU 155 Ca 0.01 -0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1iru n GLU 155 Cb 0.25 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1iru n GLU 155 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iru n LYS 156 N -0.86 0.42 -2.66 5.31 5.02 -0.89 -4.93 118.16 119.57 1iru n LYS 156 Ca 0.18 -0.63 -0.03 0.00 -2.02 0.00 0.00 58.31 55.80 1iru n LYS 156 Cb 0.23 -0.79 0.05 0.00 -0.02 0.00 0.00 35.03 34.50 1iru n LYS 156 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1iru n GLN 157 N -0.13 0.04 -0.04 1.97 7.27 -0.88 -5.04 117.38 120.57 1iru n GLN 157 Ca 0.00 -0.61 0.24 0.00 0.07 0.00 0.00 57.00 56.70 1iru n GLN 157 Cb 0.21 0.26 0.72 0.00 2.41 0.00 0.00 30.24 33.84 1iru n GLN 157 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1iru h PRO 158 N 3.87 0.00 -4.78 3.69 0.11 -1.80 -3.40 132.00 129.69 1iru h PRO 158 Ca -0.06 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.37 1iru h PRO 158 Cb 1.19 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.01 1iru h PRO 158 CO -0.15 0.00 -0.64 0.14 -0.21 0.00 0.00 178.00 177.13 1iru s VAL 159 N -4.75 3.67 0.34 3.15 -7.23 -1.26 -5.00 120.40 109.32 1iru s VAL 159 Ca -0.04 -0.92 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 1iru s VAL 159 Cb 0.18 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1iru s VAL 159 CO 0.63 0.01 0.23 -0.76 -0.31 0.00 0.00 175.10 174.90 1iru s LEU 160 N 1.43 3.45 0.23 1.32 1.43 -1.26 -4.98 118.68 120.29 1iru s LEU 160 Ca 0.00 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1iru s LEU 160 Cb -0.18 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1iru s LEU 160 CO 0.01 -0.33 0.22 -0.94 0.23 0.00 0.00 176.35 175.54 1iru s SER 161 N -3.93 5.72 0.53 2.29 1.04 -1.26 -1.11 113.70 116.98 1iru s SER 161 Ca 0.40 -0.14 0.36 0.00 0.48 0.00 0.00 55.95 57.04 1iru s SER 161 Cb -0.04 -1.53 1.52 0.00 0.10 0.00 0.00 66.02 66.07 1iru s SER 161 CO 0.25 -0.02 1.77 -0.61 0.98 0.00 0.00 173.24 175.61 1iru h GLN 162 N 1.64 0.04 0.17 4.02 4.15 -1.93 0.81 115.11 124.01 1iru h GLN 162 Ca -0.49 -0.00 -0.23 0.00 0.77 0.00 0.00 58.65 58.70 1iru h GLN 162 Cb 1.23 -0.01 0.03 0.00 0.21 0.00 0.00 27.48 28.93 1iru h GLN 162 CO 0.62 0.03 -1.02 1.79 -1.93 0.00 0.00 178.83 178.31 1iru h THR 163 N 0.04 1.43 -0.90 2.39 1.35 -1.99 -2.12 112.91 113.11 1iru h THR 163 Ca 0.61 -2.57 -0.02 0.00 -0.55 0.00 0.00 66.41 63.88 1iru h THR 163 Cb 2.35 3.14 -0.04 0.00 -1.73 0.00 0.00 68.15 71.86 1iru h THR 163 CO -0.05 0.74 0.50 -0.33 -0.25 0.00 0.00 175.52 176.13 1iru h GLU 164 N -0.23 1.26 0.36 4.72 5.08 -1.33 -1.95 114.58 122.49 1iru h GLU 164 Ca -0.18 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1iru h GLU 164 Cb 1.79 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1iru h GLU 164 CO 0.18 0.91 -0.17 0.00 -1.00 0.00 0.00 179.01 178.93 1iru h ALA 165 N 1.28 -0.49 -0.23 3.43 0.00 -1.03 -2.45 119.26 119.77 1iru h ALA 165 Ca 0.32 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1iru h ALA 165 Cb 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iru h ALA 165 CO -0.05 -0.64 0.27 -0.09 0.00 0.00 0.00 179.25 178.74 1iru h ARG 166 N -0.76 0.00 -0.27 0.00 2.43 -1.24 0.21 114.38 114.77 1iru h ARG 166 Ca -0.05 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 1iru h ARG 166 Cb 0.51 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1iru h ARG 166 CO 0.08 0.00 -0.33 0.22 -1.51 0.00 0.00 179.97 178.43 1iru h ASP 167 N 0.00 0.75 -0.27 -3.80 1.82 -1.04 -2.63 116.42 111.24 1iru h ASP 167 Ca 0.11 -0.50 -0.04 0.00 -0.39 0.00 0.00 57.03 56.21 1iru h ASP 167 Cb 0.65 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1iru h ASP 167 CO -0.00 1.09 0.00 0.25 -1.61 0.00 0.00 179.24 178.97 1iru h LEU 168 N 0.42 0.48 -0.38 2.28 6.46 -0.17 -2.24 115.31 122.15 1iru h LEU 168 Ca 0.03 -0.31 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1iru h LEU 168 Cb 0.91 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 1iru h LEU 168 CO 0.08 0.67 0.14 0.58 -0.62 0.00 0.00 178.44 179.29 1iru h VAL 169 N 0.27 0.89 -0.66 1.05 2.07 -1.24 -0.18 116.25 118.45 1iru h VAL 169 Ca 0.08 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1iru h VAL 169 Cb 0.42 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1iru h VAL 169 CO 0.01 0.05 0.41 -0.33 0.02 0.00 0.00 177.57 177.74 1iru h GLU 170 N 0.30 0.77 -0.65 1.57 3.07 -1.38 0.24 114.58 118.51 1iru h GLU 170 Ca 0.17 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1iru h GLU 170 Cb 0.15 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1iru h GLU 170 CO -0.17 0.51 0.41 0.00 -1.40 0.00 0.00 179.01 178.35 1iru h ARG 171 N 0.80 0.87 -0.12 2.33 3.08 -0.76 -2.56 114.38 118.01 1iru h ARG 171 Ca 0.26 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1iru h ARG 171 Cb 0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1iru h ARG 171 CO -0.11 0.60 -0.03 0.00 -1.07 0.00 0.00 179.97 179.37 1iru n MET 173 N -4.74 0.01 -0.09 0.00 2.81 0.79 -0.68 117.12 115.23 1iru n MET 173 Ca -0.06 0.49 -0.23 0.00 -1.81 0.00 0.00 57.70 56.09 1iru n MET 173 Cb 0.24 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.07 1iru n MET 173 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1iru n ARG 174 N -1.54 0.61 -0.32 0.03 0.63 -0.98 -3.24 116.66 111.84 1iru n ARG 174 Ca -0.00 0.45 -0.01 0.00 -0.92 0.00 0.00 57.85 57.37 1iru n ARG 174 Cb 0.03 -1.69 0.11 0.00 0.45 0.00 0.00 32.46 31.36 1iru n ARG 174 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1iru h VAL 175 N -0.75 1.15 -0.48 5.15 2.07 -0.53 -0.68 116.25 122.17 1iru h VAL 175 Ca -0.43 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1iru h VAL 175 Cb 1.52 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1iru h VAL 175 CO -0.18 0.20 0.31 -0.07 0.02 0.00 0.00 177.57 177.85 1iru h LEU 176 N 1.11 0.56 -1.36 2.57 3.38 -1.07 -1.06 115.31 119.44 1iru h LEU 176 Ca 0.35 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1iru h LEU 176 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1iru h LEU 176 CO -0.12 0.41 0.21 0.22 0.09 0.00 0.00 178.44 179.26 1iru h TYR 177 N 0.65 0.64 -0.13 1.13 3.20 -1.25 0.30 116.97 121.50 1iru h TYR 177 Ca 0.18 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.85 1iru h TYR 177 Cb -0.06 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 1iru h TYR 177 CO -0.04 0.48 -0.65 1.88 -1.64 0.00 0.00 178.16 178.19 1iru h TYR 178 N 0.65 0.65 0.00 -3.82 0.99 -0.60 -3.40 116.97 111.44 1iru h TYR 178 Ca 0.16 -0.26 -0.08 0.00 2.00 0.00 0.00 58.73 60.55 1iru h TYR 178 Cb 0.09 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.69 1iru h TYR 178 CO 0.01 1.01 -1.48 0.54 -0.00 0.00 0.00 178.16 178.24 1iru n ARG 179 N -3.90 1.66 -2.87 4.88 5.12 -0.45 -4.94 116.66 116.14 1iru n ARG 179 Ca -0.04 -0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.42 1iru n ARG 179 Cb 0.66 -1.20 -0.04 0.00 -1.16 0.00 0.00 32.46 30.72 1iru n ARG 179 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iru s ASP 180 N -3.54 6.61 0.00 0.55 -1.08 0.10 -4.91 116.67 114.40 1iru s ASP 180 Ca -0.04 0.45 0.12 0.00 -0.52 0.00 0.00 52.55 52.57 1iru s ASP 180 Cb 0.04 -2.43 0.56 0.00 -1.46 0.00 0.00 42.92 39.63 1iru s ASP 180 CO 0.34 -0.81 1.33 0.00 0.52 0.00 0.00 175.17 176.54 1iru n ALA 181 N 6.64 1.64 -1.36 3.66 0.00 -1.26 -2.56 120.51 127.27 1iru n ALA 181 Ca 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1iru n ALA 181 Cb 0.48 -1.19 0.19 0.00 0.00 0.00 0.00 19.45 18.93 1iru n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iru n ARG 182 N -1.38 1.70 -3.07 0.00 1.74 -1.26 -5.02 116.66 109.37 1iru n ARG 182 Ca 0.04 -3.03 -0.17 0.00 -0.77 0.00 0.00 57.85 53.92 1iru n ARG 182 Cb 0.11 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 1iru n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1iru s SER 183 N -2.85 5.62 -0.03 0.55 1.04 -1.06 -4.58 113.70 112.39 1iru s SER 183 Ca 0.38 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1iru s SER 183 Cb 0.35 -0.67 0.03 0.00 0.10 0.00 0.00 66.02 65.82 1iru s SER 183 CO -0.01 -0.74 0.06 -0.47 0.98 0.00 0.00 173.24 173.06 1iru s TYR 184 N -2.35 -0.03 -1.55 5.02 5.04 -1.26 -5.03 117.35 117.19 1iru s TYR 184 Ca 0.54 0.20 -0.10 0.00 -2.44 0.00 0.00 57.07 55.27 1iru s TYR 184 Cb -0.09 -0.16 -0.03 0.00 0.35 0.00 0.00 41.96 42.02 1iru s TYR 184 CO 0.33 -0.09 2.73 -1.71 -1.34 0.00 0.00 175.55 175.47 1iru n ASN 185 N 3.98 7.71 -3.19 4.32 5.15 -1.26 -4.45 115.26 127.51 1iru n ASN 185 Ca -0.25 -2.70 0.01 0.00 -0.60 0.00 0.00 54.58 51.04 1iru n ASN 185 Cb 0.52 -1.55 -0.01 0.00 -0.53 0.00 0.00 39.78 38.21 1iru n ASN 185 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1iru s ARG 186 N 1.90 0.78 0.05 1.20 3.52 -1.25 -4.58 118.95 120.57 1iru s ARG 186 Ca 0.63 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1iru s ARG 186 Cb 0.17 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1iru s ARG 186 CO -0.07 -1.15 0.00 1.97 -0.81 0.00 0.00 175.30 175.24 1iru n PHE 187 N 4.49 0.10 -4.22 5.12 1.16 -1.04 -0.66 117.46 122.40 1iru n PHE 187 Ca 0.10 -0.25 -0.14 0.00 -1.87 0.00 0.00 57.45 55.30 1iru n PHE 187 Cb 0.57 -0.03 -0.10 0.00 -1.61 0.00 0.00 39.48 38.30 1iru n PHE 187 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1iru s GLN 188 N -2.18 0.98 -0.06 3.97 -0.21 -0.96 -1.10 119.66 120.10 1iru s GLN 188 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.02 1iru s GLN 188 Cb -0.00 -0.56 0.02 0.00 1.00 0.00 0.00 33.01 33.47 1iru s GLN 188 CO 0.00 0.07 -0.04 0.99 -2.12 0.00 0.00 175.29 174.19 1iru s THR 189 N -3.14 0.59 -0.05 -0.19 2.01 -1.21 -2.77 115.64 110.87 1iru s THR 189 Ca 0.13 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1iru s THR 189 Cb 0.02 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1iru s THR 189 CO -0.00 0.26 -0.08 0.00 -0.69 0.00 0.00 174.62 174.11 1iru s ALA 190 N 1.32 2.93 0.01 7.40 0.00 0.96 0.06 121.76 134.43 1iru s ALA 190 Ca -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1iru s ALA 190 Cb -0.14 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1iru s ALA 190 CO -0.02 0.58 -0.07 0.99 0.00 0.00 0.00 175.76 177.24 1iru s THR 191 N -0.84 0.50 -0.04 0.00 2.01 0.89 -0.20 115.64 117.96 1iru s THR 191 Ca 0.13 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.64 1iru s THR 191 Cb -0.11 -0.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 1iru s THR 191 CO 0.03 -0.04 -0.18 0.68 -0.69 0.00 0.00 174.62 174.41 1iru s VAL 192 N -0.56 1.52 0.31 3.82 -7.23 0.09 -0.75 120.40 117.60 1iru s VAL 192 Ca -0.02 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.29 1iru s VAL 192 Cb -0.05 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1iru s VAL 192 CO 0.00 0.43 0.54 0.42 -0.31 0.00 0.00 175.10 176.19 1iru s THR 193 N 0.00 0.00 0.60 5.32 -4.23 -0.17 -1.42 115.64 115.74 1iru s THR 193 Ca -0.04 -1.39 0.28 0.00 -1.18 0.00 0.00 61.69 59.37 1iru s THR 193 Cb -0.12 -2.49 0.39 0.00 1.34 0.00 0.00 72.50 71.62 1iru s THR 193 CO 0.02 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.48 1iru h GLU 194 N 2.15 0.00 0.00 3.99 5.08 -1.91 1.20 114.58 125.08 1iru h GLU 194 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1iru h GLU 194 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1iru h GLU 194 CO 0.37 0.00 -0.18 0.87 -1.00 0.00 0.00 179.01 179.07 1iru h LYS 195 N 0.00 0.00 0.00 2.33 1.79 -1.94 -3.50 116.57 115.25 1iru h LYS 195 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1iru h LYS 195 Cb 1.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1iru h LYS 195 CO -0.00 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 178.96 1iru n GLY 196 N 0.84 0.56 3.40 3.86 0.00 0.41 -5.04 105.19 109.22 1iru n GLY 196 Ca 0.02 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1iru n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 197 N -1.97 3.48 -0.03 1.61 1.01 -1.25 -1.00 120.40 122.24 1iru s VAL 197 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1iru s VAL 197 Cb 0.00 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1iru s VAL 197 CO 0.00 0.48 -0.15 -0.70 0.00 0.00 0.00 175.10 174.73 1iru s GLU 198 N 0.71 1.48 -0.11 2.72 2.12 0.07 -4.96 118.70 120.72 1iru s GLU 198 Ca -0.03 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 54.82 1iru s GLU 198 Cb -0.15 -1.32 0.00 0.00 0.26 0.00 0.00 34.13 32.92 1iru s GLU 198 CO 0.02 0.22 -0.23 0.42 -0.54 0.00 0.00 175.26 175.15 1iru s ILE 199 N 0.03 2.08 -0.22 -3.70 1.01 -1.26 -0.08 121.20 119.06 1iru s ILE 199 Ca -0.02 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1iru s ILE 199 Cb -0.10 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1iru s ILE 199 CO 0.01 0.56 0.10 -1.61 0.00 0.00 0.00 174.94 174.00 1iru s GLU 200 N 0.46 3.92 0.70 2.79 2.02 0.11 -4.95 118.70 123.75 1iru s GLU 200 Ca -0.16 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.36 1iru s GLU 200 Cb -0.17 -3.37 -0.08 0.00 0.10 0.00 0.00 34.13 30.61 1iru s GLU 200 CO 0.06 0.07 -0.66 0.41 0.02 0.00 0.00 175.26 175.16 1iru n GLY 201 N 4.20 -1.82 3.40 -1.39 0.00 -1.26 -3.34 105.19 104.98 1iru n GLY 201 Ca -0.16 -0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.24 1iru n GLY 201 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iru n PRO 202 N 2.17 0.42 -4.22 1.61 -0.04 -1.26 -4.66 135.00 129.03 1iru n PRO 202 Ca -0.01 0.13 -0.28 0.00 -0.04 0.00 0.00 63.50 63.30 1iru n PRO 202 Cb 0.32 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 1iru n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1iru s LEU 203 N 5.82 2.64 0.33 1.53 1.43 -0.26 -4.94 118.68 125.22 1iru s LEU 203 Ca 1.13 -1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 1iru s LEU 203 Cb -1.27 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 43.90 1iru s LEU 203 CO 0.63 -0.92 0.72 -0.44 0.23 0.00 0.00 176.35 176.57 1iru s SER 204 N -4.08 -0.07 0.05 2.29 0.01 -1.26 -2.48 113.70 108.15 1iru s SER 204 Ca 0.26 -0.91 0.05 0.00 1.31 0.00 0.00 55.95 56.65 1iru s SER 204 Cb 0.00 0.77 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1iru s SER 204 CO 0.15 -1.48 -0.13 -0.89 0.41 0.00 0.00 173.24 171.30 1iru s THR 205 N -3.17 1.03 0.12 1.44 2.01 -1.26 -5.03 115.64 110.77 1iru s THR 205 Ca 0.15 -1.08 -0.31 0.00 0.31 0.00 0.00 61.69 60.76 1iru s THR 205 Cb -0.05 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.41 1iru s THR 205 CO 0.10 -0.10 1.48 -1.61 -0.69 0.00 0.00 174.62 173.80 1iru s GLU 206 N -1.34 4.27 -0.01 4.92 8.01 -1.26 -4.98 118.70 128.31 1iru s GLU 206 Ca -0.01 2.20 0.07 0.00 0.01 0.00 0.00 54.97 57.24 1iru s GLU 206 Cb -0.09 -3.27 -0.03 0.00 -4.31 0.00 0.00 34.13 26.44 1iru s GLU 206 CO 0.01 -0.54 -0.21 0.95 0.01 0.00 0.00 175.26 175.49 1iru s THR 207 N 1.37 2.54 -0.28 3.63 -4.23 -1.26 -5.04 115.64 112.37 1iru s THR 207 Ca 0.68 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 1iru s THR 207 Cb -0.39 -1.98 0.04 0.00 1.34 0.00 0.00 72.50 71.51 1iru s THR 207 CO 0.31 0.50 -0.02 0.21 -0.54 0.00 0.00 174.62 175.08 1iru s ASN 208 N -0.92 4.69 -0.32 3.99 2.47 -1.26 -4.99 114.94 118.61 1iru s ASN 208 Ca 0.12 -1.09 0.09 0.00 0.42 0.00 0.00 52.86 52.40 1iru s ASN 208 Cb -0.10 -1.70 0.59 0.00 -1.45 0.00 0.00 41.25 38.58 1iru s ASN 208 CO 0.01 -0.21 1.62 0.79 -3.72 0.00 0.00 177.10 175.60 1iru n TRP 209 N 4.65 1.76 0.41 0.43 7.02 -1.26 -4.69 117.44 125.77 1iru n TRP 209 Ca -0.14 -1.48 0.09 0.00 -1.02 0.00 0.00 57.50 54.95 1iru n TRP 209 Cb 0.45 -0.60 0.38 0.00 -2.42 0.00 0.00 31.31 29.12 1iru n TRP 209 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1iru n ASP 210 N -0.87 0.32 0.15 -0.99 8.00 -1.26 -1.79 116.55 120.11 1iru n ASP 210 Ca 0.39 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.60 1iru n ASP 210 Cb 1.22 -0.65 0.39 0.00 -0.02 0.00 0.00 41.12 42.07 1iru n ASP 210 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1iru h ILE 211 N 0.00 0.00 -0.58 0.53 3.07 -2.01 -3.14 117.51 115.38 1iru h ILE 211 Ca 0.00 -0.55 0.10 0.00 1.55 0.00 0.00 64.86 65.96 1iru h ILE 211 Cb 0.27 1.50 -0.03 0.00 -0.27 0.00 0.00 36.82 38.29 1iru h ILE 211 CO 0.00 0.00 0.39 0.00 -1.05 0.00 0.00 178.15 177.49 1iru h ALA 212 N 2.32 2.06 -0.12 0.16 0.00 -1.74 -0.67 119.26 121.27 1iru h ALA 212 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 212 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1iru h ALA 212 CO 0.00 -0.20 0.02 0.72 0.00 0.00 0.00 179.25 179.79 1iru n HIS 213 N -4.46 0.41 -1.66 0.00 8.25 -1.19 -3.88 115.22 112.69 1iru n HIS 213 Ca 0.10 -0.21 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 1iru n HIS 213 Cb 0.39 -0.20 0.14 0.00 1.12 0.00 0.00 29.99 31.44 1iru n HIS 213 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1iru n MET 214 N 0.13 2.32 0.00 -0.41 2.00 -0.26 -4.83 117.12 116.07 1iru n MET 214 Ca 0.06 -3.52 0.00 0.00 0.00 0.00 0.00 57.70 54.23 1iru n MET 214 Cb 0.46 -1.91 0.00 0.00 0.00 0.00 0.00 33.22 31.77 1iru n MET 214 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1iru n ILE 215 N -0.99 0.00 0.25 2.02 5.41 -1.25 -4.19 119.36 120.60 1iru n ILE 215 Ca 0.34 1.35 -0.10 0.00 1.00 0.00 0.00 62.75 65.33 1iru n ILE 215 Cb 0.88 -2.26 -0.05 0.00 -0.71 0.00 0.00 39.64 37.50 1iru n ILE 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1iru h SER 216 N 0.00 -0.61 0.00 4.38 0.02 -1.94 -3.54 113.55 111.85 1iru h SER 216 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1iru h SER 216 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1iru h SER 216 CO 0.00 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 175.90