#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru h ILE 3 N 0.00 1.23 -1.00 2.46 2.04 -2.03 -3.20 117.51 117.01 1iru h ILE 3 Ca 0.00 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.20 1iru h ILE 3 Cb 0.00 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 1iru h ILE 3 CO 0.00 0.26 0.63 0.24 0.00 0.00 0.00 178.15 179.28 1iru h MET 4 N 0.37 0.97 -0.80 2.37 2.86 -1.96 -2.09 114.93 116.65 1iru h MET 4 Ca 0.10 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1iru h MET 4 Cb 0.32 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1iru h MET 4 CO 0.00 0.64 0.05 -1.13 1.06 0.00 0.00 176.91 177.53 1iru n SER 5 N -4.60 3.64 -0.08 1.22 3.41 -1.21 -4.26 113.62 111.74 1iru n SER 5 Ca 0.19 -2.58 -0.13 0.00 -0.26 0.00 0.00 58.87 56.09 1iru n SER 5 Cb 0.35 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 1iru n SER 5 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1iru h TYR 6 N 2.02 0.70 -0.00 7.33 3.20 -1.45 -3.26 116.97 125.51 1iru h TYR 6 Ca 0.05 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1iru h TYR 6 Cb 1.44 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1iru h TYR 6 CO 0.66 0.90 -0.81 0.09 -1.64 0.00 0.00 178.16 177.36 1iru n ASN 7 N -4.37 1.21 -1.03 -2.11 3.02 -1.26 -1.93 115.26 108.79 1iru n ASN 7 Ca -0.04 -1.11 0.14 0.00 -0.03 0.00 0.00 54.58 53.54 1iru n ASN 7 Cb 0.42 0.86 -0.04 0.00 -0.61 0.00 0.00 39.78 40.41 1iru n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iru n GLY 8 N 1.44 -1.81 0.00 7.41 0.00 -1.23 -3.67 105.19 107.33 1iru n GLY 8 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1iru n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 9 N -3.38 4.34 3.08 -0.02 0.00 -1.19 -4.54 105.19 103.48 1iru n GLY 9 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1iru n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 10 N -2.09 -0.39 -0.05 4.61 0.00 -1.26 -0.88 121.76 121.70 1iru s ALA 10 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1iru s ALA 10 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1iru s ALA 10 CO 0.00 -0.15 0.17 0.08 0.00 0.00 0.00 175.76 175.87 1iru s VAL 11 N -0.64 0.02 -0.03 0.00 1.01 0.77 -2.44 120.40 119.10 1iru s VAL 11 Ca -0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1iru s VAL 11 Cb -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1iru s VAL 11 CO 0.01 -0.09 0.27 -0.32 0.00 0.00 0.00 175.10 174.97 1iru s MET 12 N -0.28 0.58 -0.00 2.72 1.75 -0.53 -1.14 119.30 122.40 1iru s MET 12 Ca -0.04 -0.13 0.02 0.00 -1.25 0.00 0.00 55.69 54.29 1iru s MET 12 Cb -0.03 0.26 -0.01 0.00 2.84 0.00 0.00 34.83 37.89 1iru s MET 12 CO 0.01 -0.15 -0.06 0.00 -0.65 0.00 0.00 175.02 174.17 1iru s ALA 13 N -1.09 0.51 0.07 4.11 0.00 -0.55 -1.08 121.76 123.73 1iru s ALA 13 Ca -0.12 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1iru s ALA 13 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1iru s ALA 13 CO 0.03 0.12 -0.13 1.41 0.00 0.00 0.00 175.76 177.19 1iru s MET 14 N -0.20 0.78 -0.24 0.00 1.75 -0.36 -1.62 119.30 119.41 1iru s MET 14 Ca 0.02 -0.96 -0.06 0.00 -1.25 0.00 0.00 55.69 53.45 1iru s MET 14 Cb -0.03 -0.70 -0.02 0.00 2.84 0.00 0.00 34.83 36.93 1iru s MET 14 CO -0.00 0.15 0.01 0.21 -0.65 0.00 0.00 175.02 174.74 1iru s LYS 15 N -1.88 3.48 0.00 4.11 2.20 0.24 -1.82 119.74 126.07 1iru s LYS 15 Ca -0.02 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1iru s LYS 15 Cb -0.09 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1iru s LYS 15 CO 0.02 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1iru n GLY 16 N 4.86 2.25 0.07 5.54 0.00 -0.94 -4.81 105.19 112.14 1iru n GLY 16 Ca -0.17 -1.95 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 1iru n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1iru h LYS 17 N 0.00 -0.09 -0.38 1.61 3.64 -1.77 -3.41 116.57 116.16 1iru h LYS 17 Ca 0.00 0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.10 1iru h LYS 17 Cb 0.00 0.02 -0.33 0.00 -0.41 0.00 0.00 32.23 31.51 1iru h LYS 17 CO 0.00 -0.06 -0.89 0.09 -2.27 0.00 0.00 179.45 176.31 1iru n ASN 18 N -3.78 2.58 -3.97 4.20 3.02 -1.26 -4.72 115.26 111.32 1iru n ASN 18 Ca -0.01 -2.92 -0.11 0.00 -0.03 0.00 0.00 54.58 51.51 1iru n ASN 18 Cb 0.04 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.73 1iru n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iru s VAL 20 N -3.95 0.05 0.14 0.00 1.01 -0.74 -2.22 120.40 114.69 1iru s VAL 20 Ca 0.29 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1iru s VAL 20 Cb 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1iru s VAL 20 CO 0.11 -0.23 -0.15 0.00 0.00 0.00 0.00 175.10 174.83 1iru s ALA 21 N -1.14 1.66 -0.24 5.51 0.00 -0.76 -0.15 121.76 126.64 1iru s ALA 21 Ca -0.12 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 1iru s ALA 21 Cb -0.05 -0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1iru s ALA 21 CO 0.04 0.13 0.57 -1.50 0.00 0.00 0.00 175.76 175.00 1iru s ILE 22 N -2.19 -0.27 0.13 0.00 2.07 -0.29 -1.22 121.20 119.43 1iru s ILE 22 Ca 0.12 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.42 1iru s ILE 22 Cb -0.05 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1iru s ILE 22 CO 0.04 0.02 -0.05 0.00 -1.91 0.00 0.00 174.94 173.04 1iru s ALA 23 N 1.93 1.17 -0.09 1.50 0.00 -0.24 -0.84 121.76 125.20 1iru s ALA 23 Ca -0.08 -1.46 -0.23 0.00 0.00 0.00 0.00 51.96 50.19 1iru s ALA 23 Cb -0.08 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.38 1iru s ALA 23 CO -0.17 -0.25 0.54 0.00 0.00 0.00 0.00 175.76 175.88 1iru s ALA 24 N -3.60 -1.37 1.29 0.00 0.00 -0.87 -1.45 121.76 115.75 1iru s ALA 24 Ca 0.17 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 1iru s ALA 24 Cb 0.05 -0.25 0.29 0.00 0.00 0.00 0.00 23.12 23.22 1iru s ALA 24 CO -0.01 -0.31 0.91 -0.40 0.00 0.00 0.00 175.76 175.95 1iru n ASP 25 N 1.57 -2.58 0.00 0.00 5.75 -1.02 -1.91 116.55 118.35 1iru n ASP 25 Ca -0.18 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1iru n ASP 25 Cb 0.56 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1iru n ASP 25 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1iru n ARG 26 N -4.76 0.38 -2.20 0.11 1.74 -0.14 -4.74 116.66 107.05 1iru n ARG 26 Ca 0.13 -0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.51 1iru n ARG 26 Cb 0.53 -0.77 -0.03 0.00 -1.02 0.00 0.00 32.46 31.17 1iru n ARG 26 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1iru s ARG 27 N -0.14 4.40 -0.29 5.56 3.52 -0.42 -2.10 118.95 129.48 1iru s ARG 27 Ca 0.00 2.09 0.01 0.00 -0.13 0.00 0.00 55.73 57.70 1iru s ARG 27 Cb 0.00 -3.15 0.09 0.00 -1.56 0.00 0.00 34.95 30.33 1iru s ARG 27 CO 0.00 -0.19 0.03 0.12 -0.81 0.00 0.00 175.30 174.45 1iru s PHE 28 N -0.41 2.45 0.26 5.12 5.36 -0.82 -4.83 117.98 125.12 1iru s PHE 28 Ca 0.53 -2.04 0.04 0.00 -0.96 0.00 0.00 56.93 54.50 1iru s PHE 28 Cb -0.37 -1.97 -0.06 0.00 -0.34 0.00 0.00 43.02 40.28 1iru s PHE 28 CO 0.43 -0.85 0.01 0.20 -1.46 0.00 0.00 175.22 173.55 1iru s GLY 29 N 1.37 1.72 -0.46 13.12 0.00 -1.24 -0.48 107.32 121.34 1iru s GLY 29 Ca 0.05 -1.86 0.03 0.00 0.00 0.00 0.00 44.72 42.94 1iru s GLY 29 CO -0.14 -1.71 0.21 -0.42 0.00 0.00 0.00 173.10 171.04 1iru s ILE 30 N -3.37 2.14 0.00 0.90 1.01 -0.17 -4.07 121.20 117.65 1iru s ILE 30 Ca 0.31 -2.88 0.00 0.00 0.00 0.00 0.00 60.65 58.09 1iru s ILE 30 Cb 0.06 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1iru s ILE 30 CO 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 174.94 174.26 1iru n GLN 31 N 3.48 0.00 0.08 2.79 6.02 -0.81 -3.26 117.38 125.68 1iru n GLN 31 Ca 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.96 1iru n GLN 31 Cb 0.35 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.63 1iru n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iru h ALA 32 N -0.27 0.61 -2.27 -1.58 0.00 -1.95 -3.46 119.26 110.34 1iru h ALA 32 Ca 0.00 -0.66 -0.56 0.00 0.00 0.00 0.00 54.91 53.70 1iru h ALA 32 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1iru h ALA 32 CO 0.00 0.84 0.59 -1.14 0.00 0.00 0.00 179.25 179.54 1iru s GLN 33 N -3.42 4.41 0.53 0.00 0.74 -1.20 -5.05 119.66 115.67 1iru s GLN 33 Ca -0.04 1.45 -0.19 0.00 0.05 0.00 0.00 55.36 56.63 1iru s GLN 33 Cb 0.11 -3.54 -0.06 0.00 1.10 0.00 0.00 33.01 30.61 1iru s GLN 33 CO 0.82 -0.34 1.08 -1.17 -0.55 0.00 0.00 175.29 175.13 1iru s LEU 34 N 2.04 3.74 0.00 3.68 2.96 -1.26 -1.00 118.68 128.83 1iru s LEU 34 Ca 0.50 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1iru s LEU 34 Cb -0.20 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 41.93 1iru s LEU 34 CO 0.19 -1.04 0.00 0.52 -1.32 0.00 0.00 176.35 174.69 1iru n VAL 35 N -1.32 0.00 -3.87 1.68 0.31 0.37 -4.86 118.33 110.64 1iru n VAL 35 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 1iru n VAL 35 Cb 0.52 -0.41 -0.09 0.00 -0.91 0.00 0.00 33.84 32.95 1iru n VAL 35 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1iru s THR 36 N -1.60 0.09 -0.21 2.52 2.01 -0.82 -5.02 115.64 112.62 1iru s THR 36 Ca 0.00 -0.77 0.11 0.00 0.31 0.00 0.00 61.69 61.34 1iru s THR 36 Cb 0.00 -0.58 -0.14 0.00 0.01 0.00 0.00 72.50 71.79 1iru s THR 36 CO 0.00 -0.42 0.32 0.41 -0.69 0.00 0.00 174.62 174.24 1iru n THR 37 N 1.22 0.00 -2.58 -0.82 -1.04 -1.26 -1.94 114.28 107.86 1iru n THR 37 Ca -0.22 -0.25 -0.34 0.00 -2.04 0.00 0.00 64.05 61.20 1iru n THR 37 Cb 0.56 0.56 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 1iru n THR 37 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1iru n ASP 38 N -1.61 6.11 -4.56 8.00 3.85 -1.25 -4.48 116.55 122.60 1iru n ASP 38 Ca -0.00 -3.72 -0.40 0.00 -0.71 0.00 0.00 54.79 49.96 1iru n ASP 38 Cb 0.23 -0.86 -0.10 0.00 -1.35 0.00 0.00 41.12 39.05 1iru n ASP 38 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1iru s PHE 39 N -3.91 3.22 0.12 2.11 5.36 -0.89 -5.05 117.98 118.93 1iru s PHE 39 Ca 0.46 0.07 -0.30 0.00 -0.96 0.00 0.00 56.93 56.19 1iru s PHE 39 Cb 0.29 -2.59 -0.07 0.00 -0.34 0.00 0.00 43.02 40.31 1iru s PHE 39 CO -0.19 -0.35 1.21 -1.14 -1.46 0.00 0.00 175.22 173.29 1iru s GLN 40 N 1.97 4.45 0.00 10.12 0.74 -1.26 -4.68 119.66 131.00 1iru s GLN 40 Ca 0.11 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.36 1iru s GLN 40 Cb -0.16 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1iru s GLN 40 CO 0.11 -0.20 0.11 1.63 -0.55 0.00 0.00 175.29 176.39 1iru n LYS 41 N 3.35 1.19 -5.03 1.67 5.02 -1.26 -5.00 118.16 118.09 1iru n LYS 41 Ca 0.07 -0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 1iru n LYS 41 Cb 0.45 -0.47 -0.16 0.00 -0.02 0.00 0.00 35.03 34.83 1iru n LYS 41 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iru s ILE 42 N -0.20 2.37 -0.02 -0.18 1.01 -1.26 0.07 121.20 122.99 1iru s ILE 42 Ca 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1iru s ILE 42 Cb 0.00 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1iru s ILE 42 CO 0.00 0.55 -0.21 -0.36 0.00 0.00 0.00 174.94 174.91 1iru s PHE 43 N 0.39 1.94 -0.05 3.97 0.40 0.14 -4.96 117.98 119.81 1iru s PHE 43 Ca -0.15 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.49 1iru s PHE 43 Cb -0.17 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1iru s PHE 43 CO 0.07 -0.05 1.29 -1.25 0.70 0.00 0.00 175.22 175.99 1iru s PRO 44 N -0.46 4.31 -0.42 0.24 0.04 -1.26 -1.28 135.00 136.17 1iru s PRO 44 Ca 0.07 1.79 0.07 0.00 0.04 0.00 0.00 61.00 62.98 1iru s PRO 44 Cb -0.09 -3.60 0.43 0.00 0.04 0.00 0.00 34.50 31.28 1iru s PRO 44 CO -0.00 -0.54 1.09 -1.33 0.04 0.00 0.00 177.00 176.25 1iru n MET 45 N 5.49 3.07 0.00 4.56 2.81 -0.41 -4.95 117.12 127.69 1iru n MET 45 Ca 0.12 -4.31 0.00 0.00 -1.81 0.00 0.00 57.70 51.71 1iru n MET 45 Cb 0.45 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1iru n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iru n GLY 46 N -0.42 2.23 3.73 3.03 0.00 -1.24 -4.70 105.19 107.83 1iru n GLY 46 Ca 0.34 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1iru n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iru s ASP 47 N 0.00 7.15 -0.82 1.61 1.01 -1.26 -2.73 116.67 121.63 1iru s ASP 47 Ca 0.00 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.40 1iru s ASP 47 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1iru s ASP 47 CO 0.00 -0.33 0.00 -2.11 0.21 0.00 0.00 175.17 172.94 1iru n ARG 48 N 2.72 -0.61 -3.59 8.23 0.00 -1.26 -4.92 116.66 117.22 1iru n ARG 48 Ca 0.05 0.75 -0.14 0.00 -0.00 0.00 0.00 57.85 58.50 1iru n ARG 48 Cb 0.46 -4.59 -0.13 0.00 -0.00 0.00 0.00 32.46 28.20 1iru n ARG 48 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1iru s LEU 49 N -1.77 -0.30 0.08 2.89 0.20 -1.10 0.27 118.68 118.95 1iru s LEU 49 Ca 0.00 0.39 0.05 0.00 0.69 0.00 0.00 54.13 55.26 1iru s LEU 49 Cb 0.00 0.69 -0.03 0.00 -0.43 0.00 0.00 46.19 46.42 1iru s LEU 49 CO 0.00 -0.26 -0.14 -0.31 -0.29 0.00 0.00 176.35 175.35 1iru s TYR 50 N 2.42 1.22 -0.04 5.38 1.51 -0.27 -1.29 117.35 126.28 1iru s TYR 50 Ca 0.04 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1iru s TYR 50 Cb -0.13 -0.68 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1iru s TYR 50 CO -0.10 0.06 -0.21 -1.50 -1.11 0.00 0.00 175.55 172.69 1iru s ILE 51 N -1.48 1.74 -0.17 2.71 2.07 -0.40 -1.44 121.20 124.24 1iru s ILE 51 Ca -0.00 -0.90 -0.00 0.00 -1.41 0.00 0.00 60.65 58.33 1iru s ILE 51 Cb -0.09 -1.47 -0.00 0.00 0.13 0.00 0.00 42.46 41.03 1iru s ILE 51 CO 0.02 0.49 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.57 1iru s GLY 52 N -0.18 1.49 -0.17 1.50 0.00 0.35 0.28 107.32 110.60 1iru s GLY 52 Ca -0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 1iru s GLY 52 CO 0.02 0.10 -0.08 1.08 0.00 0.00 0.00 173.10 174.22 1iru s LEU 53 N 0.93 2.89 0.47 0.66 1.43 0.11 -0.15 118.68 125.01 1iru s LEU 53 Ca -0.03 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1iru s LEU 53 Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1iru s LEU 53 CO -0.01 0.10 0.22 0.00 0.23 0.00 0.00 176.35 176.89 1iru s ALA 54 N 0.78 3.95 0.00 4.21 0.00 -1.26 -4.78 121.76 124.67 1iru s ALA 54 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1iru s ALA 54 Cb -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1iru s ALA 54 CO 0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1iru n GLY 55 N -1.41 0.15 3.66 0.00 0.00 -1.26 -3.62 105.19 102.70 1iru n GLY 55 Ca -0.04 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1iru n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iru s LEU 56 N 0.00 4.29 0.25 0.99 2.96 0.01 -4.60 118.68 122.58 1iru s LEU 56 Ca 0.00 2.13 -0.09 0.00 -0.22 0.00 0.00 54.13 55.95 1iru s LEU 56 Cb 0.00 -3.53 0.39 0.00 0.50 0.00 0.00 46.19 43.54 1iru s LEU 56 CO 0.00 -0.91 1.60 0.00 -1.32 0.00 0.00 176.35 175.72 1iru h ALA 57 N 9.37 0.62 -0.25 5.97 0.00 -1.92 -1.13 119.26 131.91 1iru h ALA 57 Ca -0.37 0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1iru h ALA 57 Cb 1.16 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1iru h ALA 57 CO 0.96 -0.42 0.12 1.15 0.00 0.00 0.00 179.25 181.06 1iru h THR 58 N 0.02 1.00 0.00 0.00 2.02 -1.96 -1.87 112.91 112.11 1iru h THR 58 Ca 0.41 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.43 1iru h THR 58 Cb 0.66 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1iru h THR 58 CO -0.81 0.05 -0.29 0.44 0.37 0.00 0.00 175.52 175.28 1iru h ASP 59 N 0.26 0.00 0.94 4.18 3.32 -1.69 0.11 116.42 123.55 1iru h ASP 59 Ca 0.10 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1iru h ASP 59 Cb 0.03 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1iru h ASP 59 CO -0.07 0.29 -0.45 0.58 -1.72 0.00 0.00 179.24 177.87 1iru h VAL 60 N 0.00 0.06 -0.41 -1.35 2.07 -0.74 0.90 116.25 116.77 1iru h VAL 60 Ca -0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1iru h VAL 60 Cb 0.78 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1iru h VAL 60 CO 0.04 0.00 0.23 1.56 0.02 0.00 0.00 177.57 179.42 1iru h GLN 61 N -1.29 0.45 -0.01 1.57 4.20 -1.13 -1.90 115.11 117.00 1iru h GLN 61 Ca -0.13 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1iru h GLN 61 Cb 0.97 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1iru h GLN 61 CO 0.21 0.29 0.00 1.15 -0.67 0.00 0.00 178.83 179.82 1iru h THR 62 N 0.46 1.25 -0.70 -0.54 2.02 -0.67 -0.75 112.91 113.97 1iru h THR 62 Ca 0.17 -0.72 0.06 0.00 0.77 0.00 0.00 66.41 66.68 1iru h THR 62 Cb 0.04 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1iru h THR 62 CO -0.09 0.19 0.46 0.58 0.37 0.00 0.00 175.52 177.03 1iru h VAL 63 N -0.29 1.03 0.16 3.16 2.07 0.91 -0.04 116.25 123.25 1iru h VAL 63 Ca 0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1iru h VAL 63 Cb 0.31 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1iru h VAL 63 CO 0.00 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 177.65 1iru h ALA 64 N 1.62 -0.21 -0.53 1.67 0.00 -1.18 -1.30 119.26 119.32 1iru h ALA 64 Ca 0.30 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1iru h ALA 64 Cb 0.23 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1iru h ALA 64 CO -0.10 -0.40 0.31 1.96 0.00 0.00 0.00 179.25 181.02 1iru h GLN 65 N -0.64 0.59 0.00 0.00 4.20 -0.82 -0.30 115.11 118.13 1iru h GLN 65 Ca -0.02 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1iru h GLN 65 Cb 0.48 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1iru h GLN 65 CO 0.04 0.39 -0.36 0.00 -0.67 0.00 0.00 178.83 178.23 1iru h ARG 66 N 0.61 0.00 -0.07 1.46 3.08 -1.06 -2.17 114.38 116.22 1iru h ARG 66 Ca 0.22 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.08 1iru h ARG 66 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1iru h ARG 66 CO -0.11 0.36 -0.76 1.25 -1.07 0.00 0.00 179.97 179.64 1iru h LEU 67 N 0.00 0.52 0.05 3.04 5.85 -0.37 -2.90 115.31 121.50 1iru h LEU 67 Ca -0.00 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1iru h LEU 67 Cb 0.77 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1iru h LEU 67 CO 0.05 1.10 -0.02 0.50 -0.34 0.00 0.00 178.44 179.73 1iru h LYS 68 N 0.29 -0.06 -0.90 1.25 1.63 -0.82 0.16 116.57 118.13 1iru h LYS 68 Ca -0.04 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.89 1iru h LYS 68 Cb 1.35 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.85 1iru h LYS 68 CO 0.13 0.11 -0.45 0.35 -3.45 0.00 0.00 179.45 176.14 1iru h PHE 69 N -0.22 -1.35 -0.47 1.91 3.57 -1.35 0.24 116.94 119.27 1iru h PHE 69 Ca -0.01 0.11 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 1iru h PHE 69 Cb 0.20 0.72 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1iru h PHE 69 CO -0.02 -0.40 -0.13 0.00 -2.23 0.00 0.00 178.31 175.53 1iru h ARG 70 N -0.06 0.87 -0.64 1.11 3.08 -1.28 -3.01 114.38 114.47 1iru h ARG 70 Ca 0.26 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1iru h ARG 70 Cb 0.54 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1iru h ARG 70 CO -0.90 0.95 0.22 1.25 -1.07 0.00 0.00 179.97 180.42 1iru h LEU 71 N 0.78 0.92 0.17 3.04 5.85 0.16 -1.80 115.31 124.43 1iru h LEU 71 Ca 0.12 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1iru h LEU 71 Cb 0.65 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1iru h LEU 71 CO 0.05 0.87 -0.08 0.78 -0.34 0.00 0.00 178.44 179.71 1iru h ASN 72 N 0.91 -0.19 -0.80 1.25 2.35 -0.58 -2.27 115.58 116.25 1iru h ASN 72 Ca 0.21 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1iru h ASN 72 Cb 0.27 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 1iru h ASN 72 CO -0.01 0.01 0.51 -0.07 -1.65 0.00 0.00 177.43 176.22 1iru h LEU 73 N -0.39 0.84 -0.77 1.61 3.38 -1.51 -0.72 115.31 117.76 1iru h LEU 73 Ca -0.02 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1iru h LEU 73 Cb 0.30 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1iru h LEU 73 CO 0.04 0.58 0.39 0.22 0.09 0.00 0.00 178.44 179.76 1iru h TYR 74 N 0.99 0.70 0.00 1.13 3.20 -1.19 0.15 116.97 121.95 1iru h TYR 74 Ca 0.32 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1iru h TYR 74 Cb 0.01 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 1iru h TYR 74 CO -0.03 0.24 -0.07 0.93 -1.64 0.00 0.00 178.16 177.59 1iru h GLU 75 N 0.64 0.00 0.01 1.82 5.08 -0.66 -0.04 114.58 121.43 1iru h GLU 75 Ca 0.39 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.49 1iru h GLU 75 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1iru h GLU 75 CO -0.29 0.07 -1.41 -0.07 -1.00 0.00 0.00 179.01 176.31 1iru h LEU 76 N 0.00 0.03 0.00 1.33 3.38 0.38 -3.36 115.31 117.07 1iru h LEU 76 Ca -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iru h LEU 76 Cb 0.79 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1iru h LEU 76 CO 0.01 1.04 -0.06 0.11 0.09 0.00 0.00 178.44 179.63 1iru h LYS 77 N 0.01 0.00 -7.30 1.13 1.57 -0.76 -3.44 116.57 107.78 1iru h LYS 77 Ca -0.17 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.09 1iru h LYS 77 Cb 1.91 0.00 0.16 0.00 0.08 0.00 0.00 32.23 34.38 1iru h LYS 77 CO 0.11 0.00 0.28 -1.21 -0.57 0.00 0.00 179.45 178.05 1iru s GLU 78 N -1.64 1.69 -0.52 3.15 0.41 -0.03 -4.89 118.70 116.87 1iru s GLU 78 Ca -0.02 1.34 0.02 0.00 -0.41 0.00 0.00 54.97 55.90 1iru s GLU 78 Cb 0.00 -1.82 0.54 0.00 -1.78 0.00 0.00 34.13 31.07 1iru s GLU 78 CO 0.03 -2.09 1.87 0.41 -0.49 0.00 0.00 175.26 174.99 1iru n GLY 79 N -0.58 5.29 0.00 -1.39 0.00 -1.26 -4.60 105.19 102.65 1iru n GLY 79 Ca 0.10 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1iru n GLY 79 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1iru n ARG 80 N -1.01 0.42 -4.46 1.61 1.85 -1.26 -5.11 116.66 108.69 1iru n ARG 80 Ca 0.57 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 57.10 1iru n ARG 80 Cb 1.11 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 32.36 1iru n ARG 80 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1iru s GLN 81 N 0.64 2.93 0.12 2.89 0.74 -1.26 -4.61 119.66 121.11 1iru s GLN 81 Ca 0.00 -0.82 -0.34 0.00 0.05 0.00 0.00 55.36 54.25 1iru s GLN 81 Cb 0.00 -2.43 -0.17 0.00 1.10 0.00 0.00 33.01 31.51 1iru s GLN 81 CO 0.00 -0.09 0.97 1.51 -0.55 0.00 0.00 175.29 177.14 1iru n ILE 82 N 4.28 0.87 -3.14 -2.34 0.13 -1.26 -4.89 119.36 113.01 1iru n ILE 82 Ca -0.20 -0.22 -0.39 0.00 -1.10 0.00 0.00 62.75 60.84 1iru n ILE 82 Cb 0.51 -0.36 -0.06 0.00 -0.84 0.00 0.00 39.64 38.89 1iru n ILE 82 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1iru s LYS 83 N -0.41 4.36 0.15 9.51 1.02 -1.26 -4.74 119.74 128.38 1iru s LYS 83 Ca 0.77 0.85 -0.31 0.00 0.02 0.00 0.00 55.97 57.29 1iru s LYS 83 Cb -1.01 -3.32 -0.07 0.00 -0.52 0.00 0.00 37.83 32.91 1iru s LYS 83 CO 0.55 0.41 1.54 -1.35 -0.92 0.00 0.00 175.35 175.58 1iru h PRO 84 N 5.36 -0.10 -0.54 -1.68 0.11 -1.93 0.39 132.00 133.60 1iru h PRO 84 Ca -0.46 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.82 1iru h PRO 84 Cb 1.20 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1iru h PRO 84 CO 0.69 -0.07 0.60 1.88 -0.21 0.00 0.00 178.00 180.89 1iru h TYR 85 N -0.11 0.00 0.12 0.65 -1.99 -1.99 0.93 116.97 114.58 1iru h TYR 85 Ca 0.14 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.56 1iru h TYR 85 Cb 0.46 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 1iru h TYR 85 CO -0.94 0.00 -1.56 1.15 -0.00 0.00 0.00 178.16 176.81 1iru h THR 86 N 0.00 1.12 -0.29 -2.88 2.02 -0.66 -2.97 112.91 109.25 1iru h THR 86 Ca 0.26 -2.77 -0.09 0.00 0.77 0.00 0.00 66.41 64.58 1iru h THR 86 Cb 1.46 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 70.60 1iru h THR 86 CO -0.00 0.81 -0.19 0.25 0.37 0.00 0.00 175.52 176.76 1iru h LEU 87 N 0.07 0.52 -0.39 2.58 5.85 0.20 -0.25 115.31 123.88 1iru h LEU 87 Ca -0.25 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1iru h LEU 87 Cb 2.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 1iru h LEU 87 CO 0.16 0.73 0.19 -0.03 -0.34 0.00 0.00 178.44 179.14 1iru h MET 88 N 0.48 0.57 0.00 1.25 4.05 -1.27 -0.95 114.93 119.05 1iru h MET 88 Ca 0.08 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1iru h MET 88 Cb 0.60 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1iru h MET 88 CO 0.04 0.50 -0.10 0.77 0.23 0.00 0.00 176.91 178.35 1iru h SER 89 N 0.50 0.00 0.22 1.39 0.02 -1.28 -0.51 113.55 113.89 1iru h SER 89 Ca 0.13 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.82 1iru h SER 89 Cb 0.12 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.68 1iru h SER 89 CO -0.02 0.10 -1.10 -0.03 -1.14 0.00 0.00 176.83 174.64 1iru h MET 90 N 0.00 0.54 0.01 3.45 -1.53 -0.25 -2.78 114.93 114.36 1iru h MET 90 Ca -0.00 -0.65 -0.19 0.00 -3.44 0.00 0.00 59.70 55.42 1iru h MET 90 Cb 0.49 0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.73 1iru h MET 90 CO 0.01 1.26 -0.88 0.28 0.14 0.00 0.00 176.91 177.72 1iru h VAL 91 N 0.27 1.54 0.00 -5.77 2.07 -0.83 -2.47 116.25 111.06 1iru h VAL 91 Ca -0.13 -2.75 -0.04 0.00 0.82 0.00 0.00 66.70 64.60 1iru h VAL 91 Cb 1.76 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 34.05 1iru h VAL 91 CO 0.20 0.79 -0.18 0.00 0.02 0.00 0.00 177.57 178.41 1iru h ALA 92 N 1.02 1.55 0.16 1.67 0.00 -1.10 -1.51 119.26 121.05 1iru h ALA 92 Ca -0.03 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1iru h ALA 92 Cb 1.53 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.31 1iru h ALA 92 CO 0.13 0.22 -1.17 -0.97 0.00 0.00 0.00 179.25 177.46 1iru h ASN 93 N 0.00 0.54 -0.74 0.00 -1.24 -1.35 -3.00 115.58 109.79 1iru h ASN 93 Ca -0.00 -0.92 -0.03 0.00 0.71 0.00 0.00 56.30 56.06 1iru h ASN 93 Cb 0.35 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.19 1iru h ASN 93 CO 0.02 1.54 0.36 0.25 -1.29 0.00 0.00 177.43 178.32 1iru h LEU 94 N -0.21 0.98 -0.07 0.34 6.46 -1.20 -2.40 115.31 119.20 1iru h LEU 94 Ca -0.22 -0.11 -0.14 0.00 -0.12 0.00 0.00 57.88 57.29 1iru h LEU 94 Cb 1.82 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 41.50 1iru h LEU 94 CO 0.16 0.83 -0.51 -0.07 -0.62 0.00 0.00 178.44 178.23 1iru h LEU 95 N 1.07 0.57 -0.38 2.25 3.38 -1.41 -3.21 115.31 117.59 1iru h LEU 95 Ca 0.26 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1iru h LEU 95 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1iru h LEU 95 CO -0.03 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.65 1iru n TYR 96 N -4.25 0.42 0.82 1.13 9.36 -1.13 -1.48 117.16 122.03 1iru n TYR 96 Ca -0.09 0.17 0.10 0.00 3.32 0.00 0.00 57.90 61.40 1iru n TYR 96 Cb 0.61 -0.77 0.47 0.00 -0.63 0.00 0.00 39.34 39.02 1iru n TYR 96 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1iru n GLU 97 N -1.89 0.13 -1.21 2.98 1.02 -0.91 -2.11 120.64 118.65 1iru n GLU 97 Ca 0.03 0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1iru n GLU 97 Cb 0.19 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1iru n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1iru n LYS 98 N -1.41 2.41 -0.34 3.49 4.76 -0.55 -4.85 118.16 121.67 1iru n LYS 98 Ca 0.07 -3.65 0.18 0.00 -2.87 0.00 0.00 58.31 52.04 1iru n LYS 98 Cb 0.20 -1.87 0.40 0.00 -1.84 0.00 0.00 35.03 31.92 1iru n LYS 98 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1iru h ARG 99 N 1.49 0.55 -1.13 1.97 9.65 -1.52 0.52 114.38 125.92 1iru h ARG 99 Ca 0.15 -0.03 -0.64 0.00 -1.10 0.00 0.00 59.98 58.36 1iru h ARG 99 Cb 1.23 -0.12 -0.35 0.00 -1.39 0.00 0.00 29.97 29.33 1iru h ARG 99 CO 0.31 0.37 0.09 1.19 2.80 0.00 0.00 179.97 184.73 1iru n PHE 100 N -4.82 3.06 0.00 2.20 3.01 -1.26 -4.43 117.46 115.22 1iru n PHE 100 Ca 0.26 -2.66 0.00 0.00 1.01 0.00 0.00 57.45 56.06 1iru n PHE 100 Cb 0.75 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1iru n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iru n GLY 101 N -0.73 -1.77 3.80 1.37 0.00 -0.70 -5.17 105.19 101.99 1iru n GLY 101 Ca 0.52 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 46.81 1iru n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iru s PRO 102 N 0.00 2.81 0.33 1.61 0.04 0.17 -4.76 135.00 135.21 1iru s PRO 102 Ca 0.00 1.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 1iru s PRO 102 Cb 0.00 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1iru s PRO 102 CO 0.00 -1.20 0.98 0.71 0.04 0.00 0.00 177.00 177.53 1iru s TYR 103 N -2.93 3.60 -1.16 0.56 1.51 -1.26 -4.97 117.35 112.69 1iru s TYR 103 Ca 0.60 1.75 -0.10 0.00 -1.01 0.00 0.00 57.07 58.30 1iru s TYR 103 Cb -0.15 -3.01 0.23 0.00 -0.11 0.00 0.00 41.96 38.93 1iru s TYR 103 CO 0.53 -0.04 1.34 0.66 -1.11 0.00 0.00 175.55 176.93 1iru n TYR 104 N 0.52 4.62 -3.64 2.71 4.02 -1.26 -4.76 117.16 119.37 1iru n TYR 104 Ca 0.02 -3.47 -0.09 0.00 -0.01 0.00 0.00 57.90 54.35 1iru n TYR 104 Cb 0.49 -1.85 -0.07 0.00 -0.02 0.00 0.00 39.34 37.89 1iru n TYR 104 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1iru s THR 105 N -0.30 -0.00 -0.48 -0.72 -1.32 -1.26 -0.81 115.64 110.75 1iru s THR 105 Ca 0.36 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.82 1iru s THR 105 Cb -0.04 -0.97 0.13 0.00 -1.51 0.00 0.00 72.50 70.11 1iru s THR 105 CO -0.02 0.00 0.27 -1.61 -2.21 0.00 0.00 174.62 171.06 1iru s GLU 106 N 1.21 2.15 0.76 7.08 2.02 -1.24 -4.06 118.70 126.62 1iru s GLU 106 Ca -0.07 -2.11 -0.14 0.00 0.02 0.00 0.00 54.97 52.67 1iru s GLU 106 Cb -0.05 -3.59 0.05 0.00 0.10 0.00 0.00 34.13 30.64 1iru s GLU 106 CO -0.13 -1.10 1.20 -2.14 0.02 0.00 0.00 175.26 173.11 1iru s PRO 107 N 0.64 1.99 -0.06 0.39 0.02 -1.26 -4.18 135.00 132.54 1iru s PRO 107 Ca 0.12 1.72 0.01 0.00 0.02 0.00 0.00 61.00 62.87 1iru s PRO 107 Cb -0.22 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.50 1iru s PRO 107 CO -0.04 -1.94 -0.07 0.08 -0.33 0.00 0.00 177.00 174.70 1iru s VAL 108 N -2.09 0.79 -0.12 3.83 1.01 0.78 -0.95 120.40 123.66 1iru s VAL 108 Ca 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1iru s VAL 108 Cb -0.28 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1iru s VAL 108 CO 0.47 0.29 -0.14 -0.63 0.00 0.00 0.00 175.10 175.10 1iru s ILE 109 N 1.05 3.01 -0.03 2.22 1.01 0.79 0.13 121.20 129.38 1iru s ILE 109 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1iru s ILE 109 Cb -0.14 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1iru s ILE 109 CO -0.01 0.53 0.01 0.00 0.00 0.00 0.00 174.94 175.48 1iru s ALA 110 N 0.26 0.29 -0.03 9.38 0.00 -0.52 -1.48 121.76 129.66 1iru s ALA 110 Ca -0.09 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 1iru s ALA 110 Cb -0.16 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.72 1iru s ALA 110 CO 0.05 -0.13 1.31 0.20 0.00 0.00 0.00 175.76 177.19 1iru s GLY 111 N 1.16 -0.22 0.03 0.00 0.00 0.25 -1.11 107.32 107.42 1iru s GLY 111 Ca -0.08 0.25 0.07 0.00 0.00 0.00 0.00 44.72 44.96 1iru s GLY 111 CO -0.02 4.22 -0.20 1.08 0.00 0.00 0.00 173.10 178.18 1iru s LEU 112 N -3.59 2.50 0.19 0.66 1.43 0.14 0.59 118.68 120.60 1iru s LEU 112 Ca 0.26 -0.43 -0.33 0.00 -1.03 0.00 0.00 54.13 52.60 1iru s LEU 112 Cb 0.01 -1.47 -0.15 0.00 0.03 0.00 0.00 46.19 44.62 1iru s LEU 112 CO -0.02 0.27 1.32 -0.67 0.23 0.00 0.00 176.35 177.48 1iru n ASP 113 N 1.75 2.09 0.28 2.29 -0.08 -0.30 -4.75 116.55 117.83 1iru n ASP 113 Ca -0.16 1.13 0.15 0.00 -1.51 0.00 0.00 54.79 54.40 1iru n ASP 113 Cb 0.52 -1.31 0.81 0.00 2.34 0.00 0.00 41.12 43.47 1iru n ASP 113 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iru h PRO 114 N 4.07 0.00 -0.89 -0.67 0.13 -1.90 -3.08 132.00 129.66 1iru h PRO 114 Ca -0.45 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.29 1iru h PRO 114 Cb 1.31 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.03 1iru h PRO 114 CO 0.75 0.08 -1.03 1.63 -0.23 0.00 0.00 178.00 179.19 1iru n LYS 115 N -3.43 2.12 -3.77 0.86 4.01 -1.26 -5.07 118.16 111.63 1iru n LYS 115 Ca -0.02 -3.70 0.03 0.00 -0.51 0.00 0.00 58.31 54.11 1iru n LYS 115 Cb 0.22 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 1iru n LYS 115 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1iru s THR 116 N -4.00 0.00 -0.11 -0.18 2.01 -1.17 -5.05 115.64 107.14 1iru s THR 116 Ca 0.35 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 1iru s THR 116 Cb 0.40 -2.41 -0.27 0.00 0.01 0.00 0.00 72.50 70.23 1iru s THR 116 CO -0.03 0.00 0.83 2.19 -0.69 0.00 0.00 174.62 176.92 1iru h PHE 117 N 2.00 0.18 0.00 4.92 -5.15 -1.98 -3.34 116.94 113.57 1iru h PHE 117 Ca -0.28 -0.13 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 1iru h PHE 117 Cb 1.19 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.35 1iru h PHE 117 CO 0.78 1.09 0.00 1.63 -2.00 0.00 0.00 178.31 179.81 1iru n LYS 118 N -4.46 0.00 -2.87 6.09 4.76 -1.26 -4.06 118.16 116.35 1iru n LYS 118 Ca -0.11 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.98 1iru n LYS 118 Cb 0.58 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.71 1iru n LYS 118 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1iru s PRO 119 N 0.00 4.34 -0.08 1.97 0.04 -1.26 -1.15 135.00 138.86 1iru s PRO 119 Ca 0.00 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.12 1iru s PRO 119 Cb 0.00 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 32.07 1iru s PRO 119 CO 0.00 0.15 0.18 0.12 0.04 0.00 0.00 177.00 177.49 1iru s PHE 120 N -1.88 -0.22 0.01 0.56 5.36 0.20 -4.94 117.98 117.07 1iru s PHE 120 Ca 0.55 0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 57.10 1iru s PHE 120 Cb -0.13 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.50 1iru s PHE 120 CO 0.18 -0.19 -0.02 0.96 -1.46 0.00 0.00 175.22 174.70 1iru s ILE 121 N 1.17 0.08 0.18 3.12 -4.36 -1.26 -0.58 121.20 119.55 1iru s ILE 121 Ca -0.09 -0.65 -0.24 0.00 -0.26 0.00 0.00 60.65 59.42 1iru s ILE 121 Cb -0.11 -0.19 0.05 0.00 1.25 0.00 0.00 42.46 43.46 1iru s ILE 121 CO -0.07 -0.35 0.81 0.00 0.24 0.00 0.00 174.94 175.57 1iru s SER 123 N -2.86 0.21 0.24 0.00 1.04 -0.24 -0.15 113.70 111.95 1iru s SER 123 Ca 0.09 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.28 1iru s SER 123 Cb -0.03 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1iru s SER 123 CO 0.01 -0.80 0.15 -0.76 0.98 0.00 0.00 173.24 172.82 1iru s LEU 124 N -3.09 1.38 0.60 2.42 1.02 -0.12 -0.85 118.68 120.04 1iru s LEU 124 Ca 0.30 -1.46 -0.09 0.00 0.02 0.00 0.00 54.13 52.90 1iru s LEU 124 Cb 0.07 0.31 -0.02 0.00 0.02 0.00 0.00 46.19 46.57 1iru s LEU 124 CO 0.06 -0.86 0.97 -1.81 0.02 0.00 0.00 176.35 174.74 1iru s ASP 125 N -3.24 6.04 0.29 2.29 1.01 -0.04 -4.10 116.67 118.92 1iru s ASP 125 Ca 0.39 1.18 0.24 0.00 0.71 0.00 0.00 52.55 55.07 1iru s ASP 125 Cb 0.06 -2.25 1.05 0.00 1.01 0.00 0.00 42.92 42.80 1iru s ASP 125 CO 0.15 -0.90 1.72 0.17 0.21 0.00 0.00 175.17 176.52 1iru h LEU 126 N -0.24 0.00 -3.19 1.23 8.10 -1.86 -1.64 115.31 117.71 1iru h LEU 126 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.54 1iru h LEU 126 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 1iru h LEU 126 CO 0.62 0.00 0.00 2.30 -4.11 0.00 0.00 178.44 177.25 1iru n ILE 127 N -2.30 1.96 -0.52 0.15 -5.35 -1.26 -4.27 119.36 107.78 1iru n ILE 127 Ca 0.01 -1.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 1iru n ILE 127 Cb 0.20 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1iru n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iru n GLY 128 N 0.27 0.73 3.69 3.28 0.00 -0.62 -3.24 105.19 109.31 1iru n GLY 128 Ca 0.21 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1iru n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s PRO 130 N 1.70 3.53 -0.05 0.00 0.04 -1.26 -0.86 135.00 138.11 1iru s PRO 130 Ca 0.45 -0.24 -0.02 0.00 0.04 0.00 0.00 61.00 61.23 1iru s PRO 130 Cb -0.18 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1iru s PRO 130 CO 0.18 0.22 0.08 1.41 0.04 0.00 0.00 177.00 178.94 1iru s MET 131 N -3.88 -0.03 -0.08 4.56 1.75 -0.03 -4.98 119.30 116.61 1iru s MET 131 Ca 0.41 0.36 0.03 0.00 -1.25 0.00 0.00 55.69 55.24 1iru s MET 131 Cb -0.10 -0.35 -0.02 0.00 2.84 0.00 0.00 34.83 37.20 1iru s MET 131 CO 0.33 -0.26 -0.17 0.14 -0.65 0.00 0.00 175.02 174.41 1iru s VAL 132 N 1.77 2.75 0.15 10.11 -7.23 -1.26 -1.08 120.40 125.61 1iru s VAL 132 Ca -0.01 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1iru s VAL 132 Cb -0.12 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1iru s VAL 132 CO -0.04 0.56 0.06 0.42 -0.31 0.00 0.00 175.10 175.79 1iru s THR 133 N -0.14 0.21 -2.50 5.32 -4.23 -1.20 -5.03 115.64 108.07 1iru s THR 133 Ca -0.02 -1.94 0.24 0.00 -1.18 0.00 0.00 61.69 58.80 1iru s THR 133 Cb -0.14 -2.13 0.18 0.00 1.34 0.00 0.00 72.50 71.75 1iru s THR 133 CO 0.04 -0.39 1.29 0.47 -0.54 0.00 0.00 174.62 175.49 1iru n ASP 134 N -0.15 2.30 0.00 3.99 8.00 -1.26 -4.49 116.55 124.93 1iru n ASP 134 Ca -0.05 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1iru n ASP 134 Cb 0.64 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1iru n ASP 134 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1iru n ASP 135 N 0.56 0.00 -3.80 -2.24 3.85 -1.26 -4.62 116.55 109.04 1iru n ASP 135 Ca 0.13 0.00 -0.09 0.00 -0.71 0.00 0.00 54.79 54.11 1iru n ASP 135 Cb 0.50 -0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 40.15 1iru n ASP 135 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1iru s PHE 136 N -0.44 0.34 -0.08 2.11 -0.12 -1.26 -0.59 117.98 117.93 1iru s PHE 136 Ca 0.00 -0.73 -0.15 0.00 -0.05 0.00 0.00 56.93 55.99 1iru s PHE 136 Cb 0.00 0.29 0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1iru s PHE 136 CO 0.00 -1.10 0.38 0.14 -0.05 0.00 0.00 175.22 174.59 1iru s VAL 137 N -3.74 0.02 0.16 -2.49 -7.23 -0.64 -4.83 120.40 101.66 1iru s VAL 137 Ca 0.21 -0.21 0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1iru s VAL 137 Cb -0.02 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1iru s VAL 137 CO 0.10 -0.11 -0.12 0.68 -0.31 0.00 0.00 175.10 175.34 1iru s VAL 138 N -0.55 1.41 -0.27 1.32 -7.23 -1.26 -1.48 120.40 112.33 1iru s VAL 138 Ca -0.07 -2.06 -0.25 0.00 -1.81 0.00 0.00 61.98 57.80 1iru s VAL 138 Cb -0.04 -1.87 0.08 0.00 0.56 0.00 0.00 36.38 35.12 1iru s VAL 138 CO 0.03 -0.63 0.79 -0.44 -0.31 0.00 0.00 175.10 174.53 1iru s SER 139 N -3.10 -0.69 0.00 4.85 0.01 -0.29 -4.99 113.70 109.49 1iru s SER 139 Ca 0.17 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1iru s SER 139 Cb 0.00 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.56 1iru s SER 139 CO 0.03 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1iru n GLY 140 N 2.66 0.77 0.00 3.44 0.00 -1.26 -0.16 105.19 110.63 1iru n GLY 140 Ca -0.14 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 43.99 1iru n GLY 140 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iru n THR 141 N 6.17 0.03 -2.42 2.61 -2.24 -0.06 -3.56 114.28 114.81 1iru n THR 141 Ca 0.00 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 1iru n THR 141 Cb 0.00 -0.57 0.05 0.00 -2.10 0.00 0.00 70.33 67.71 1iru n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iru h ALA 143 N 2.17 0.47 -0.09 0.00 0.00 -1.89 0.27 119.26 120.19 1iru h ALA 143 Ca 0.05 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1iru h ALA 143 Cb 1.41 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1iru h ALA 143 CO 0.37 -0.42 -0.00 0.93 0.00 0.00 0.00 179.25 180.12 1iru h GLU 144 N 0.02 0.02 -0.21 0.00 5.08 -1.91 0.65 114.58 118.23 1iru h GLU 144 Ca 0.32 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1iru h GLU 144 Cb 0.50 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1iru h GLU 144 CO -0.65 0.02 0.04 1.96 -1.00 0.00 0.00 179.01 179.37 1iru h GLN 145 N 0.02 0.12 -0.98 2.33 7.50 -1.65 -2.07 115.11 120.39 1iru h GLN 145 Ca 0.04 -0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.22 1iru h GLN 145 Cb 0.05 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 27.50 1iru h GLN 145 CO -0.07 0.08 0.64 0.52 -1.50 0.00 0.00 178.83 178.50 1iru h MET 146 N 0.13 1.20 -0.39 1.46 2.86 -0.66 -0.96 114.93 118.58 1iru h MET 146 Ca 0.09 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1iru h MET 146 Cb 0.09 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1iru h MET 146 CO -0.12 0.80 0.04 1.88 1.06 0.00 0.00 176.91 180.56 1iru h TYR 147 N 1.24 0.61 0.08 -0.22 0.99 -0.45 -2.34 116.97 116.88 1iru h TYR 147 Ca 0.39 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 61.09 1iru h TYR 147 Cb -0.00 -0.18 -0.04 0.00 1.00 0.00 0.00 36.73 37.51 1iru h TYR 147 CO -0.00 0.57 -0.33 0.78 -0.00 0.00 0.00 178.16 179.17 1iru h GLY 148 N 0.85 -0.62 0.90 3.88 0.00 -0.49 -1.21 103.07 106.39 1iru h GLY 148 Ca 0.12 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 1iru h GLY 148 CO 0.01 -0.25 -0.48 -0.33 0.00 0.00 0.00 176.54 175.49 1iru h MET 149 N -0.54 -1.23 -0.87 4.80 2.86 -1.37 -3.17 114.93 115.41 1iru h MET 149 Ca 0.04 0.08 0.23 0.00 -2.06 0.00 0.00 59.70 57.99 1iru h MET 149 Cb 0.58 0.28 -0.14 0.00 0.06 0.00 0.00 31.60 32.38 1iru h MET 149 CO -0.22 -0.82 0.17 0.00 1.06 0.00 0.00 176.91 177.10 1iru n GLU 151 N -5.28 0.67 0.00 0.00 -0.58 -0.47 -2.68 120.64 112.30 1iru n GLU 151 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1iru n GLU 151 Cb 0.66 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1iru n GLU 151 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1iru n SER 152 N -0.87 0.30 0.00 1.62 7.64 0.15 -4.85 113.62 117.61 1iru n SER 152 Ca 0.12 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1iru n SER 152 Cb 0.05 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1iru n SER 152 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1iru n LEU 153 N -0.15 0.00 -4.72 -3.43 4.77 -0.30 -5.05 117.00 108.12 1iru n LEU 153 Ca 0.00 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1iru n LEU 153 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1iru n LEU 153 CO 0.00 0.00 0.73 0.86 -1.33 0.00 0.00 177.39 177.65 1iru s TRP 154 N -1.42 3.63 -0.07 -1.77 -0.00 -1.09 -4.99 118.94 113.23 1iru s TRP 154 Ca 0.00 1.62 0.05 0.00 -0.00 0.00 0.00 56.10 57.77 1iru s TRP 154 Cb 0.00 -3.19 -0.01 0.00 -0.00 0.00 0.00 33.47 30.27 1iru s TRP 154 CO 0.00 -0.31 -0.23 -1.21 -0.00 0.00 0.00 176.95 175.20 1iru s GLU 155 N 0.72 2.57 0.09 5.86 2.02 -1.26 -5.02 118.70 123.67 1iru s GLU 155 Ca 0.52 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 54.49 1iru s GLU 155 Cb -0.24 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1iru s GLU 155 CO 0.29 0.30 0.87 -2.30 0.02 0.00 0.00 175.26 174.44 1iru n PRO 156 N 3.15 -0.25 -5.06 0.39 -0.02 -1.26 -4.31 135.00 127.64 1iru n PRO 156 Ca -0.18 0.85 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 1iru n PRO 156 Cb 0.52 -1.25 -0.15 0.00 -0.02 0.00 0.00 33.50 32.60 1iru n PRO 156 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1iru s ASN 157 N -5.28 3.52 -0.06 2.55 0.01 -1.26 -4.69 114.94 109.72 1iru s ASN 157 Ca -0.07 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 51.63 1iru s ASN 157 Cb 0.06 -1.06 0.02 0.00 0.41 0.00 0.00 41.25 40.68 1iru s ASN 157 CO 0.35 0.24 0.16 -0.04 -1.51 0.00 0.00 177.10 176.31 1iru s MET 158 N -0.15 0.18 0.67 -0.60 -1.94 -1.26 -4.91 119.30 111.29 1iru s MET 158 Ca -0.03 0.25 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 1iru s MET 158 Cb -0.14 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 1iru s MET 158 CO 0.04 -0.04 1.05 0.16 -0.01 0.00 0.00 175.02 176.22 1iru s ASP 159 N 0.21 5.70 0.33 3.03 -4.77 -1.26 -2.57 116.67 117.35 1iru s ASP 159 Ca -0.01 1.52 0.12 0.00 -3.30 0.00 0.00 52.55 50.89 1iru s ASP 159 Cb -0.02 -2.46 1.03 0.00 -1.09 0.00 0.00 42.92 40.37 1iru s ASP 159 CO -0.01 -1.22 1.65 -0.65 0.70 0.00 0.00 175.17 175.64 1iru h PRO 160 N -0.57 0.28 -0.08 2.11 0.11 -1.98 -1.49 132.00 130.38 1iru h PRO 160 Ca -0.44 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1iru h PRO 160 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iru h PRO 160 CO 0.59 0.18 -0.74 -0.44 -0.21 0.00 0.00 178.00 177.39 1iru h ASP 161 N 0.28 0.49 0.02 -2.05 5.19 -1.99 -1.11 116.42 117.26 1iru h ASP 161 Ca 0.71 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1iru h ASP 161 Cb 1.59 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.96 1iru h ASP 161 CO -0.63 1.07 -0.01 1.41 -3.12 0.00 0.00 179.24 177.96 1iru n HIS 162 N -3.84 0.00 -0.12 4.55 8.25 -0.64 -2.01 115.22 121.42 1iru n HIS 162 Ca -0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.16 1iru n HIS 162 Cb 0.71 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.70 1iru n HIS 162 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1iru n LEU 163 N -0.51 2.15 -0.15 2.41 7.94 -0.76 -3.56 117.00 124.53 1iru n LEU 163 Ca 0.21 0.27 -0.04 0.00 -1.11 0.00 0.00 56.01 55.34 1iru n LEU 163 Cb 0.22 -0.89 0.05 0.00 0.53 0.00 0.00 43.42 43.33 1iru n LEU 163 CO 0.18 0.59 0.96 0.15 -1.11 0.00 0.00 177.39 178.16 1iru h PHE 164 N -0.76 0.31 0.00 1.96 3.57 -1.18 0.19 116.94 121.03 1iru h PHE 164 Ca -0.58 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 60.90 1iru h PHE 164 Cb 1.62 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1iru h PHE 164 CO -0.02 0.11 -0.17 0.93 -2.23 0.00 0.00 178.31 176.93 1iru h GLU 165 N 0.35 0.00 0.00 1.11 4.39 -1.60 -1.20 114.58 117.64 1iru h GLU 165 Ca 0.22 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1iru h GLU 165 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1iru h GLU 165 CO -0.21 0.17 -0.17 1.15 -1.16 0.00 0.00 179.01 178.79 1iru h THR 166 N 0.00 1.69 0.00 1.13 2.02 -1.20 -3.12 112.91 113.43 1iru h THR 166 Ca -0.00 -2.33 -0.09 0.00 0.77 0.00 0.00 66.41 64.76 1iru h THR 166 Cb 0.54 3.25 -0.01 0.00 -1.74 0.00 0.00 68.15 70.19 1iru h THR 166 CO 0.02 0.58 -0.41 -0.29 0.37 0.00 0.00 175.52 175.79 1iru h ILE 167 N -0.99 1.21 0.00 3.11 2.10 -0.70 -2.04 117.51 120.20 1iru h ILE 167 Ca -0.04 -1.43 -0.10 0.00 1.08 0.00 0.00 64.86 64.36 1iru h ILE 167 Cb 1.05 1.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.55 1iru h ILE 167 CO -0.02 0.40 -0.49 0.28 -1.08 0.00 0.00 178.15 177.24 1iru h SER 168 N 0.00 0.00 0.26 2.19 0.02 -1.34 -2.54 113.55 112.14 1iru h SER 168 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1iru h SER 168 Cb 0.76 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.34 1iru h SER 168 CO 0.05 0.49 -1.50 1.56 -1.14 0.00 0.00 176.83 176.29 1iru h GLN 169 N 0.00 0.53 0.01 3.45 1.08 -1.40 -3.03 115.11 115.75 1iru h GLN 169 Ca -0.00 -0.91 0.02 0.00 -1.45 0.00 0.00 58.65 56.31 1iru h GLN 169 Cb 0.88 0.34 -0.03 0.00 -0.05 0.00 0.00 27.48 28.62 1iru h GLN 169 CO 0.06 1.44 -0.16 0.00 -0.95 0.00 0.00 178.83 179.22 1iru h ALA 170 N 0.16 -0.20 -2.53 3.87 0.00 -1.30 -2.48 119.26 116.78 1iru h ALA 170 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1iru h ALA 170 Cb 2.17 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.23 1iru h ALA 170 CO 0.27 -0.65 0.00 -1.33 0.00 0.00 0.00 179.25 177.54 1iru n MET 171 N -5.29 0.00 -0.34 0.00 2.81 -0.97 -1.38 117.12 111.95 1iru n MET 171 Ca -0.05 0.15 0.30 0.00 -1.81 0.00 0.00 57.70 56.29 1iru n MET 171 Cb 0.21 -1.08 0.53 0.00 -0.71 0.00 0.00 33.22 32.16 1iru n MET 171 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1iru n LEU 172 N -0.82 0.21 0.08 4.03 4.77 -1.15 0.00 117.00 124.12 1iru n LEU 172 Ca 0.00 1.20 -0.16 0.00 -0.03 0.00 0.00 56.01 57.02 1iru n LEU 172 Cb 0.00 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 1iru n LEU 172 CO 0.00 -1.32 -0.22 0.78 -1.33 0.00 0.00 177.39 175.30 1iru h ASN 173 N 0.00 0.38 0.22 -1.43 2.35 -1.43 -2.95 115.58 112.71 1iru h ASN 173 Ca 0.71 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1iru h ASN 173 Cb 2.14 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.39 1iru h ASN 173 CO -0.46 1.38 -0.11 0.00 -1.65 0.00 0.00 177.43 176.59 1iru h ALA 174 N 0.56 -0.30 0.00 -0.83 0.00 0.83 -3.18 119.26 116.34 1iru h ALA 174 Ca -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iru h ALA 174 Cb 1.99 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1iru h ALA 174 CO 0.17 -0.36 0.21 0.28 0.00 0.00 0.00 179.25 179.56 1iru h VAL 175 N -0.92 0.00 -0.22 0.00 2.07 -0.81 0.47 116.25 116.84 1iru h VAL 175 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1iru h VAL 175 Cb 0.49 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1iru h VAL 175 CO 0.05 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.11 1iru n ASP 176 N -2.14 2.28 -0.48 0.57 9.92 -1.11 -3.52 116.55 122.06 1iru n ASP 176 Ca -0.01 -1.81 0.07 0.00 -0.53 0.00 0.00 54.79 52.51 1iru n ASP 176 Cb 0.23 -0.14 0.13 0.00 -0.64 0.00 0.00 41.12 40.71 1iru n ASP 176 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1iru n ARG 177 N 0.73 1.07 -3.72 -1.24 5.12 0.15 -4.94 116.66 113.84 1iru n ARG 177 Ca 0.17 -2.56 -0.25 0.00 -1.93 0.00 0.00 57.85 53.28 1iru n ARG 177 Cb 0.43 -1.23 -0.17 0.00 -1.16 0.00 0.00 32.46 30.32 1iru n ARG 177 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iru s ASP 178 N -2.66 2.06 0.53 0.55 -1.08 -1.23 -5.03 116.67 109.82 1iru s ASP 178 Ca 0.30 -0.38 0.28 0.00 -0.52 0.00 0.00 52.55 52.23 1iru s ASP 178 Cb 0.29 -0.41 1.49 0.00 -1.46 0.00 0.00 42.92 42.83 1iru s ASP 178 CO -0.03 -0.26 2.08 0.00 0.52 0.00 0.00 175.17 177.47 1iru h ALA 179 N 8.34 1.27 -0.43 3.66 0.00 -1.92 -3.12 119.26 127.05 1iru h ALA 179 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1iru h ALA 179 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1iru h ALA 179 CO 0.27 0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.99 1iru n VAL 180 N -3.60 1.25 -4.91 0.00 0.24 -1.26 -4.94 118.33 105.11 1iru n VAL 180 Ca -0.02 -1.13 -0.29 0.00 -2.04 0.00 0.00 64.34 60.86 1iru n VAL 180 Cb 0.23 0.37 -0.15 0.00 -1.47 0.00 0.00 33.84 32.82 1iru n VAL 180 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1iru s SER 181 N -1.11 2.93 0.00 -1.34 0.01 -1.18 -3.18 113.70 109.82 1iru s SER 181 Ca 0.33 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1iru s SER 181 Cb 0.19 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1iru s SER 181 CO 0.19 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1iru n GLY 182 N 1.95 0.39 2.97 3.44 0.00 -1.26 -4.76 105.19 107.92 1iru n GLY 182 Ca -0.17 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 1iru n GLY 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iru n MET 183 N 0.00 -4.78 0.00 1.61 2.81 -1.25 -1.30 117.12 114.21 1iru n MET 183 Ca 0.00 0.87 0.00 0.00 -1.81 0.00 0.00 57.70 56.76 1iru n MET 183 Cb 0.00 -5.64 0.00 0.00 -0.71 0.00 0.00 33.22 26.87 1iru n MET 183 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iru n GLY 184 N -1.51 2.61 3.27 3.03 0.00 -1.25 -4.45 105.19 106.89 1iru n GLY 184 Ca -0.10 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1iru n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 185 N -1.80 1.57 0.03 1.61 1.01 -1.26 -0.97 120.40 120.58 1iru s VAL 185 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.41 1iru s VAL 185 Cb 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1iru s VAL 185 CO 0.00 -0.21 -0.16 -0.51 0.00 0.00 0.00 175.10 174.22 1iru s ILE 186 N -1.57 1.25 0.07 2.22 2.07 -0.80 -1.36 121.20 123.08 1iru s ILE 186 Ca 0.08 -0.96 0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1iru s ILE 186 Cb -0.08 -1.10 -0.03 0.00 0.13 0.00 0.00 42.46 41.38 1iru s ILE 186 CO 0.04 0.12 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.35 1iru s VAL 187 N -0.73 1.25 -0.09 4.00 1.01 0.61 -2.06 120.40 124.39 1iru s VAL 187 Ca 0.04 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 1iru s VAL 187 Cb -0.08 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1iru s VAL 187 CO 0.01 -0.16 -0.06 -1.00 0.00 0.00 0.00 175.10 173.89 1iru s HIS 188 N -1.20 1.22 -0.19 5.22 3.76 -0.02 -2.22 115.29 121.86 1iru s HIS 188 Ca 0.00 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1iru s HIS 188 Cb -0.10 -1.06 0.02 0.00 1.11 0.00 0.00 32.58 32.56 1iru s HIS 188 CO 0.03 -0.41 -0.19 -1.50 -0.85 0.00 0.00 174.74 171.82 1iru s ILE 189 N 1.57 2.10 -0.20 0.60 2.07 -0.41 -1.14 121.20 125.80 1iru s ILE 189 Ca 0.01 -0.98 -0.05 0.00 -1.41 0.00 0.00 60.65 58.22 1iru s ILE 189 Cb -0.13 -1.91 -0.02 0.00 0.13 0.00 0.00 42.46 40.53 1iru s ILE 189 CO -0.05 0.49 -0.00 0.27 -1.91 0.00 0.00 174.94 173.74 1iru s ILE 190 N 1.28 3.90 0.13 2.00 -4.36 0.78 -1.19 121.20 123.75 1iru s ILE 190 Ca 0.04 -0.33 0.09 0.00 -0.26 0.00 0.00 60.65 60.19 1iru s ILE 190 Cb -0.14 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 1iru s ILE 190 CO -0.12 0.43 -0.22 -1.61 0.24 0.00 0.00 174.94 173.65 1iru s GLU 191 N 1.05 1.27 0.55 0.37 2.02 0.18 -1.78 118.70 122.35 1iru s GLU 191 Ca 0.02 -1.30 0.41 0.00 0.02 0.00 0.00 54.97 54.12 1iru s GLU 191 Cb -0.14 -1.55 1.59 0.00 0.10 0.00 0.00 34.13 34.13 1iru s GLU 191 CO 0.01 0.35 1.70 -0.22 0.02 0.00 0.00 175.26 177.12 1iru h LYS 192 N 3.76 0.00 0.01 1.61 1.63 -1.96 -2.07 116.57 119.56 1iru h LYS 192 Ca -0.47 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 58.96 1iru h LYS 192 Cb 1.19 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.75 1iru h LYS 192 CO 0.43 0.00 -2.38 -0.25 -3.45 0.00 0.00 179.45 173.79 1iru n ASP 193 N -4.02 1.46 -3.75 4.20 8.00 -1.26 -5.07 116.55 116.11 1iru n ASP 193 Ca 0.32 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.61 1iru n ASP 193 Cb 1.53 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 42.45 1iru n ASP 193 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1iru s LYS 194 N -2.52 1.51 -0.23 -1.24 -2.85 -0.78 -5.13 119.74 108.50 1iru s LYS 194 Ca -0.26 -1.85 -0.01 0.00 -1.00 0.00 0.00 55.97 52.85 1iru s LYS 194 Cb 0.08 0.28 0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1iru s LYS 194 CO 0.68 -0.53 0.01 0.42 0.10 0.00 0.00 175.35 176.04 1iru s ILE 195 N -3.76 0.96 -0.23 3.79 -1.09 -1.26 -0.65 121.20 118.95 1iru s ILE 195 Ca 0.40 -0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 57.76 1iru s ILE 195 Cb 0.04 -1.42 -0.05 0.00 -1.58 0.00 0.00 42.46 39.46 1iru s ILE 195 CO 0.21 -0.25 0.23 -0.89 -1.23 0.00 0.00 174.94 173.01 1iru s THR 196 N 1.65 5.31 -0.25 2.92 2.01 -0.33 -4.96 115.64 121.99 1iru s THR 196 Ca -0.01 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1iru s THR 196 Cb -0.18 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.83 1iru s THR 196 CO -0.10 0.31 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.17 1iru s THR 197 N 1.17 1.87 0.04 -0.82 2.01 -1.26 -1.28 115.64 117.36 1iru s THR 197 Ca 0.11 -1.42 0.07 0.00 0.31 0.00 0.00 61.69 60.76 1iru s THR 197 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1iru s THR 197 CO 0.06 -0.04 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.60 1iru s ARG 198 N 1.24 1.48 -0.43 4.92 0.52 -0.94 -4.98 118.95 120.75 1iru s ARG 198 Ca -0.07 -0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 54.11 1iru s ARG 198 Cb -0.19 -1.58 0.09 0.00 0.52 0.00 0.00 34.95 33.79 1iru s ARG 198 CO -0.06 0.41 0.28 0.95 0.02 0.00 0.00 175.30 176.90 1iru s THR 199 N -0.76 4.17 1.02 0.02 -4.23 -1.26 -0.29 115.64 114.31 1iru s THR 199 Ca 0.08 -1.56 -0.14 0.00 -1.18 0.00 0.00 61.69 58.89 1iru s THR 199 Cb -0.09 -3.63 0.11 0.00 1.34 0.00 0.00 72.50 70.23 1iru s THR 199 CO 0.01 -0.60 0.52 0.18 -0.54 0.00 0.00 174.62 174.19 1iru n LEU 200 N 4.90 -0.33 -4.62 4.79 4.77 -0.47 -4.94 117.00 121.10 1iru n LEU 200 Ca -0.09 0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1iru n LEU 200 Cb 0.42 -1.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.24 1iru n LEU 200 CO 0.40 -3.18 0.18 -0.75 -1.33 0.00 0.00 177.39 172.71 1iru s LYS 201 N -3.87 4.07 0.28 3.23 2.20 -1.26 -4.36 119.74 120.04 1iru s LYS 201 Ca 0.60 0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 1iru s LYS 201 Cb -0.20 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1iru s LYS 201 CO 0.65 -0.29 0.32 0.00 -0.36 0.00 0.00 175.35 175.67 1iru s ALA 202 N 2.11 1.05 0.77 3.13 0.00 -1.26 -5.00 121.76 122.56 1iru s ALA 202 Ca 0.19 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 1iru s ALA 202 Cb -0.16 1.31 0.06 0.00 0.00 0.00 0.00 23.12 24.33 1iru s ALA 202 CO 0.09 -0.70 1.15 1.03 0.00 0.00 0.00 175.76 177.33 1iru s ARG 203 N -3.64 2.04 -0.29 0.00 0.52 -1.26 -4.78 118.95 111.54 1iru s ARG 203 Ca 0.35 1.51 0.12 0.00 -0.52 0.00 0.00 55.73 57.19 1iru s ARG 203 Cb 0.03 -1.85 0.47 0.00 0.52 0.00 0.00 34.95 34.12 1iru s ARG 203 CO 0.18 -1.86 1.15 -1.33 0.02 0.00 0.00 175.30 173.46 1iru n MET 204 N -3.18 2.93 0.00 3.54 2.81 -1.26 -3.76 117.12 118.20 1iru n MET 204 Ca 0.11 -3.95 0.00 0.00 -1.81 0.00 0.00 57.70 52.05 1iru n MET 204 Cb 0.52 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1iru n MET 204 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08