#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru h GLN 5 N 0.00 0.00 -0.29 3.52 3.07 -2.05 -1.49 115.11 117.86 1iru h GLN 5 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1iru h GLN 5 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1iru h GLN 5 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1iru n TYR 6 N -2.72 0.94 0.03 0.06 4.02 -1.26 -4.69 117.16 113.55 1iru n TYR 6 Ca -0.02 -0.81 0.09 0.00 -0.01 0.00 0.00 57.90 57.14 1iru n TYR 6 Cb 0.19 -0.28 -0.13 0.00 -0.02 0.00 0.00 39.34 39.09 1iru n TYR 6 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1iru n ASP 7 N -0.28 1.03 -0.02 7.72 8.00 -0.56 -4.42 116.55 128.02 1iru n ASP 7 Ca 0.20 -0.04 0.11 0.00 0.71 0.00 0.00 54.79 55.77 1iru n ASP 7 Cb 0.84 1.75 -0.02 0.00 -0.02 0.00 0.00 41.12 43.68 1iru n ASP 7 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iru n ASN 8 N -2.07 0.92 -4.01 -2.24 3.02 -1.26 -4.19 115.26 105.43 1iru n ASN 8 Ca -0.03 -0.84 -0.24 0.00 -0.03 0.00 0.00 54.58 53.45 1iru n ASN 8 Cb 0.44 0.79 -0.16 0.00 -0.61 0.00 0.00 39.78 40.24 1iru n ASN 8 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1iru s ASP 9 N -2.97 1.63 0.00 6.41 1.01 -1.26 -5.00 116.67 116.48 1iru s ASP 9 Ca 0.09 -0.27 0.11 0.00 0.71 0.00 0.00 52.55 53.20 1iru s ASP 9 Cb 0.16 -0.74 0.57 0.00 1.01 0.00 0.00 42.92 43.93 1iru s ASP 9 CO 0.81 0.03 1.24 1.33 0.21 0.00 0.00 175.17 178.79 1iru n VAL 10 N 3.80 0.65 1.32 -1.27 0.24 -1.26 -1.69 118.33 120.12 1iru n VAL 10 Ca -0.23 0.16 0.13 0.00 -2.04 0.00 0.00 64.34 62.37 1iru n VAL 10 Cb 0.52 -0.98 0.38 0.00 -1.47 0.00 0.00 33.84 32.28 1iru n VAL 10 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1iru n THR 11 N -1.26 0.00 -3.55 3.34 -2.24 -1.26 -4.69 114.28 104.62 1iru n THR 11 Ca 0.06 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1iru n THR 11 Cb 0.08 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 1iru n THR 11 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iru s VAL 12 N -2.04 4.99 0.43 2.28 1.01 -0.68 -5.07 120.40 121.31 1iru s VAL 12 Ca 0.34 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1iru s VAL 12 Cb 0.21 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 1iru s VAL 12 CO 0.34 -0.11 0.93 0.26 0.00 0.00 0.00 175.10 176.52 1iru s TRP 13 N 1.65 3.33 0.47 5.22 0.52 -1.26 -4.69 118.94 124.18 1iru s TRP 13 Ca 0.05 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 57.71 1iru s TRP 13 Cb -0.18 -2.81 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 1iru s TRP 13 CO 0.09 -0.11 0.71 -1.54 0.02 0.00 0.00 176.95 176.12 1iru s SER 14 N -2.27 5.85 0.00 2.95 1.04 -0.12 -4.94 113.70 116.21 1iru s SER 14 Ca 0.61 0.41 0.04 0.00 0.48 0.00 0.00 55.95 57.49 1iru s SER 14 Cb -0.09 -1.64 0.22 0.00 0.10 0.00 0.00 66.02 64.61 1iru s SER 14 CO 0.15 -0.73 0.74 -2.65 0.98 0.00 0.00 173.24 171.74 1iru n PRO 15 N -2.16 0.11 -0.16 4.02 -0.02 -1.26 -1.23 135.00 134.31 1iru n PRO 15 Ca 0.01 0.04 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1iru n PRO 15 Cb 0.57 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.70 1iru n PRO 15 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1iru n GLN 16 N -1.05 2.37 -2.88 -0.52 6.02 -1.26 -4.98 117.38 115.08 1iru n GLN 16 Ca 0.03 -1.93 -0.10 0.00 -0.01 0.00 0.00 57.00 54.99 1iru n GLN 16 Cb 0.02 -1.30 0.04 0.00 1.02 0.00 0.00 30.24 30.02 1iru n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iru n GLY 17 N 0.69 0.23 3.24 1.08 0.00 -0.36 -5.05 105.19 105.02 1iru n GLY 17 Ca 0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1iru n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 18 N -5.27 1.07 -0.39 1.61 0.52 -1.26 -4.94 118.95 110.29 1iru s ARG 18 Ca 0.18 -1.48 0.01 0.00 -0.52 0.00 0.00 55.73 53.92 1iru s ARG 18 Cb -0.08 -0.46 0.12 0.00 0.52 0.00 0.00 34.95 35.05 1iru s ARG 18 CO 0.32 -0.01 0.18 0.42 0.02 0.00 0.00 175.30 176.23 1iru s ILE 19 N -3.47 1.33 0.30 1.52 1.01 -1.26 -0.95 121.20 119.68 1iru s ILE 19 Ca 0.19 -2.19 0.05 0.00 0.00 0.00 0.00 60.65 58.69 1iru s ILE 19 Cb 0.04 -1.96 0.30 0.00 0.01 0.00 0.00 42.46 40.85 1iru s ILE 19 CO 0.01 -0.80 1.68 0.45 0.00 0.00 0.00 174.94 176.28 1iru h HIS 20 N 7.22 0.61 -0.81 3.97 3.86 -1.84 0.05 115.15 128.22 1iru h HIS 20 Ca -0.05 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1iru h HIS 20 Cb 0.96 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 29.23 1iru h HIS 20 CO 0.44 -0.10 0.44 1.96 0.86 0.00 0.00 177.93 181.53 1iru h GLN 21 N 0.35 0.69 -0.06 2.45 1.08 -1.86 0.48 115.11 118.25 1iru h GLN 21 Ca 0.58 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.74 1iru h GLN 21 Cb 1.15 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1iru h GLN 21 CO -0.57 0.46 0.03 0.82 -0.95 0.00 0.00 178.83 178.62 1iru h ILE 22 N 0.71 1.09 -0.29 2.54 2.04 -1.39 -1.41 117.51 120.81 1iru h ILE 22 Ca 0.40 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1iru h ILE 22 Cb 0.43 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1iru h ILE 22 CO -0.28 0.08 0.08 -0.33 0.00 0.00 0.00 178.15 177.70 1iru h GLU 23 N -0.02 0.19 -0.60 2.37 5.08 -0.77 -1.40 114.58 119.44 1iru h GLU 23 Ca 0.02 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1iru h GLU 23 Cb 0.10 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1iru h GLU 23 CO -0.00 0.13 0.25 1.88 -1.00 0.00 0.00 179.01 180.26 1iru h TYR 24 N 0.20 0.43 -0.71 4.33 0.99 0.08 0.05 116.97 122.35 1iru h TYR 24 Ca 0.13 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.90 1iru h TYR 24 Cb 0.12 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 37.71 1iru h TYR 24 CO -0.15 0.14 0.47 0.00 -0.00 0.00 0.00 178.16 178.62 1iru h ALA 25 N 1.39 1.50 -0.44 3.88 0.00 -0.50 0.15 119.26 125.25 1iru h ALA 25 Ca 0.30 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1iru h ALA 25 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iru h ALA 25 CO -0.28 0.46 0.29 0.52 0.00 0.00 0.00 179.25 180.24 1iru h MET 26 N 0.95 0.46 0.00 0.00 2.86 0.05 -0.21 114.93 119.04 1iru h MET 26 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1iru h MET 26 Cb -0.09 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 1iru h MET 26 CO -0.06 0.31 -0.07 0.93 1.06 0.00 0.00 176.91 179.08 1iru h GLU 27 N 0.48 0.00 -0.55 1.72 4.39 -0.07 -1.48 114.58 119.07 1iru h GLU 27 Ca 0.18 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1iru h GLU 27 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1iru h GLU 27 CO -0.04 0.07 0.30 0.00 -1.16 0.00 0.00 179.01 178.18 1iru h ALA 28 N 1.93 1.50 0.35 3.43 0.00 -0.95 -2.60 119.26 122.92 1iru h ALA 28 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1iru h ALA 28 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1iru h ALA 28 CO 0.01 0.42 -0.17 0.28 0.00 0.00 0.00 179.25 179.79 1iru h VAL 29 N 0.76 0.65 -1.04 0.00 2.07 -1.33 -2.99 116.25 114.37 1iru h VAL 29 Ca 0.20 -0.43 0.27 0.00 0.82 0.00 0.00 66.70 67.55 1iru h VAL 29 Cb 0.02 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 1iru h VAL 29 CO -0.03 0.08 0.66 0.11 0.02 0.00 0.00 177.57 178.41 1iru h LYS 30 N -0.73 0.42 -0.40 1.57 1.57 -1.44 -0.26 116.57 117.31 1iru h LYS 30 Ca -0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1iru h LYS 30 Cb 0.50 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1iru h LYS 30 CO 0.08 0.28 0.04 1.96 -0.57 0.00 0.00 179.45 181.24 1iru h GLN 31 N 0.43 0.67 -6.70 3.15 1.08 -1.35 -1.19 115.11 111.21 1iru h GLN 31 Ca 0.62 -0.19 -0.56 0.00 -1.45 0.00 0.00 58.65 57.06 1iru h GLN 31 Cb 1.48 -0.07 0.19 0.00 -0.05 0.00 0.00 27.48 29.02 1iru h GLN 31 CO -0.35 0.74 -0.33 0.41 -0.95 0.00 0.00 178.83 178.35 1iru n GLY 32 N -0.45 -1.38 3.75 3.46 0.00 -0.11 -4.52 105.19 105.94 1iru n GLY 32 Ca -0.01 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1iru n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iru s SER 33 N -1.51 5.01 0.65 1.61 1.04 -1.26 -0.97 113.70 118.27 1iru s SER 33 Ca 0.66 2.39 -0.17 0.00 0.48 0.00 0.00 55.95 59.32 1iru s SER 33 Cb -0.35 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.17 1iru s SER 33 CO 0.57 -1.71 1.18 0.00 0.98 0.00 0.00 173.24 174.26 1iru s ALA 34 N -1.65 2.38 0.03 5.32 0.00 -1.26 -4.48 121.76 122.11 1iru s ALA 34 Ca 0.77 0.86 -0.09 0.00 0.00 0.00 0.00 51.96 53.51 1iru s ALA 34 Cb -0.31 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1iru s ALA 34 CO 0.35 -1.42 0.17 -0.08 0.00 0.00 0.00 175.76 174.78 1iru s THR 35 N -1.89 0.11 0.06 0.00 -1.32 -0.27 -2.44 115.64 109.89 1iru s THR 35 Ca 0.74 -0.89 0.04 0.00 -1.21 0.00 0.00 61.69 60.37 1iru s THR 35 Cb -0.28 -0.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 1iru s THR 35 CO 0.39 -0.49 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.51 1iru s VAL 36 N -2.34 0.87 -0.04 5.08 1.01 0.16 -2.01 120.40 123.13 1iru s VAL 36 Ca -0.07 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1iru s VAL 36 Cb -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1iru s VAL 36 CO -0.03 -0.31 0.13 -0.83 0.00 0.00 0.00 175.10 174.05 1iru s GLY 37 N -1.73 -0.07 0.01 4.51 0.00 0.25 -0.22 107.32 110.08 1iru s GLY 37 Ca -0.05 0.29 -0.28 0.00 0.00 0.00 0.00 44.72 44.69 1iru s GLY 37 CO 0.01 0.23 0.74 0.48 0.00 0.00 0.00 173.10 174.56 1iru s LEU 38 N -0.11 -0.53 0.03 0.66 0.05 -0.37 0.14 118.68 118.54 1iru s LEU 38 Ca -0.02 0.29 0.03 0.00 0.05 0.00 0.00 54.13 54.48 1iru s LEU 38 Cb -0.02 2.36 -0.02 0.00 -2.05 0.00 0.00 46.19 46.46 1iru s LEU 38 CO 0.00 -0.69 -0.08 -1.59 -0.55 0.00 0.00 176.35 173.43 1iru s LYS 39 N -2.43 0.58 0.00 1.48 -2.85 -1.22 0.26 119.74 115.57 1iru s LYS 39 Ca -0.02 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 1iru s LYS 39 Cb -0.01 -0.46 0.00 0.00 -2.06 0.00 0.00 37.83 35.30 1iru s LYS 39 CO -0.03 0.10 0.00 -1.13 0.10 0.00 0.00 175.35 174.40 1iru n SER 40 N 1.95 0.00 -0.26 0.03 3.41 0.59 -4.23 113.62 115.12 1iru n SER 40 Ca -0.19 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.45 1iru n SER 40 Cb 0.56 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1iru n SER 40 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iru n LYS 41 N 0.00 0.26 0.00 4.33 2.85 -1.06 -4.61 118.16 119.94 1iru n LYS 41 Ca 0.00 -0.99 0.00 0.00 -1.05 0.00 0.00 58.31 56.27 1iru n LYS 41 Cb 0.00 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1iru n LYS 41 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1iru n THR 42 N 0.30 0.00 -3.89 0.58 -2.24 -1.26 -4.60 114.28 103.17 1iru n THR 42 Ca 0.04 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1iru n THR 42 Cb 0.18 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 1iru n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1iru s HIS 43 N -0.13 0.06 -0.09 4.78 3.76 -1.26 -1.71 115.29 120.70 1iru s HIS 43 Ca 0.00 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1iru s HIS 43 Cb 0.00 -0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.61 1iru s HIS 43 CO 0.00 -0.18 -0.15 0.00 -0.85 0.00 0.00 174.74 173.55 1iru s ALA 44 N -0.96 2.56 -0.03 -1.40 0.00 0.64 -0.30 121.76 122.28 1iru s ALA 44 Ca -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1iru s ALA 44 Cb -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1iru s ALA 44 CO 0.00 0.39 -0.08 0.08 0.00 0.00 0.00 175.76 176.15 1iru s VAL 45 N -0.12 0.69 -0.06 0.00 1.01 0.14 -2.12 120.40 119.94 1iru s VAL 45 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1iru s VAL 45 Cb -0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1iru s VAL 45 CO 0.04 0.23 -0.17 -0.76 0.00 0.00 0.00 175.10 174.43 1iru s LEU 46 N 0.30 2.54 -0.00 3.92 1.43 0.11 -1.24 118.68 125.74 1iru s LEU 46 Ca -0.04 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1iru s LEU 46 Cb -0.09 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1iru s LEU 46 CO 0.00 0.30 -0.05 -0.69 0.23 0.00 0.00 176.35 176.14 1iru s VAL 47 N -0.47 0.40 0.01 -1.59 1.01 0.70 0.53 120.40 120.99 1iru s VAL 47 Ca 0.06 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1iru s VAL 47 Cb -0.12 -0.35 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1iru s VAL 47 CO 0.02 0.09 0.44 0.00 0.00 0.00 0.00 175.10 175.64 1iru s ALA 48 N -0.18 -1.11 -0.25 5.51 0.00 -0.01 0.38 121.76 126.11 1iru s ALA 48 Ca 0.01 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 1iru s ALA 48 Cb -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1iru s ALA 48 CO -0.00 -0.38 0.13 -1.17 0.00 0.00 0.00 175.76 174.34 1iru s LEU 49 N -1.61 3.87 0.04 0.00 2.96 -1.02 -1.51 118.68 121.41 1iru s LEU 49 Ca -0.09 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 1iru s LEU 49 Cb -0.02 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1iru s LEU 49 CO 0.02 0.02 0.34 -0.54 -1.32 0.00 0.00 176.35 174.87 1iru s LYS 50 N 1.31 3.69 0.16 1.98 1.02 0.52 -4.61 119.74 123.79 1iru s LYS 50 Ca 0.06 0.08 0.06 0.00 0.02 0.00 0.00 55.97 56.19 1iru s LYS 50 Cb -0.15 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1iru s LYS 50 CO 0.06 0.61 0.04 1.03 -0.92 0.00 0.00 175.35 176.17 1iru s ARG 51 N -1.77 2.58 -0.08 1.68 0.52 -1.26 -4.75 118.95 115.86 1iru s ARG 51 Ca 0.30 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 1iru s ARG 51 Cb -0.14 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.86 1iru s ARG 51 CO 0.17 0.48 -0.18 0.00 0.02 0.00 0.00 175.30 175.78 1iru s ALA 52 N -1.67 1.74 0.05 2.13 0.00 -1.26 -1.23 121.76 121.52 1iru s ALA 52 Ca 0.28 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1iru s ALA 52 Cb -0.10 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 1iru s ALA 52 CO 0.20 0.20 1.30 1.96 0.00 0.00 0.00 175.76 179.41 1iru h GLN 53 N 6.86 -0.44 -5.10 0.00 4.20 -1.87 -3.45 115.11 115.31 1iru h GLN 53 Ca -0.25 0.03 -0.67 0.00 0.06 0.00 0.00 58.65 57.82 1iru h GLN 53 Cb 1.21 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.96 1iru h GLN 53 CO 0.47 -0.29 -0.50 -1.54 -0.67 0.00 0.00 178.83 176.30 1iru s SER 54 N -3.52 3.97 0.48 1.46 1.04 -1.26 -5.04 113.70 110.83 1iru s SER 54 Ca -0.09 -1.71 0.27 0.00 0.48 0.00 0.00 55.95 54.90 1iru s SER 54 Cb 0.03 0.67 0.90 0.00 0.10 0.00 0.00 66.02 67.72 1iru s SER 54 CO 0.32 -0.94 1.81 1.05 0.98 0.00 0.00 173.24 176.46 1iru h GLU 55 N 1.35 0.00 -0.01 4.02 4.11 -2.00 -3.02 114.58 119.02 1iru h GLU 55 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1iru h GLU 55 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1iru h GLU 55 CO 0.70 0.08 -0.06 1.28 0.07 0.00 0.00 179.01 181.07 1iru n LEU 56 N -3.16 1.46 -4.88 3.06 4.77 -1.26 -4.89 117.00 112.09 1iru n LEU 56 Ca 0.02 -0.47 -0.24 0.00 -0.03 0.00 0.00 56.01 55.29 1iru n LEU 56 Cb 0.42 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1iru n LEU 56 CO 0.31 0.25 -0.13 0.00 -1.33 0.00 0.00 177.39 176.49 1iru s ALA 57 N -2.12 3.76 0.74 -1.18 0.00 -1.14 -5.11 121.76 116.71 1iru s ALA 57 Ca 0.34 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1iru s ALA 57 Cb 0.21 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1iru s ALA 57 CO 0.38 0.38 1.10 0.00 0.00 0.00 0.00 175.76 177.62 1iru s ALA 58 N -1.90 2.87 0.22 0.00 0.00 -1.26 -4.79 121.76 116.90 1iru s ALA 58 Ca 0.33 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.45 1iru s ALA 58 Cb -0.09 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 1iru s ALA 58 CO 0.26 -1.39 0.76 -1.01 0.00 0.00 0.00 175.76 174.39 1iru s HIS 59 N -3.41 3.71 0.49 0.00 3.76 -1.26 -4.48 115.29 114.11 1iru s HIS 59 Ca 0.60 1.49 -0.23 0.00 -0.15 0.00 0.00 55.06 56.76 1iru s HIS 59 Cb -0.11 -2.69 -0.07 0.00 1.11 0.00 0.00 32.58 30.83 1iru s HIS 59 CO 0.49 0.36 1.34 -0.65 -0.85 0.00 0.00 174.74 175.43 1iru s GLN 60 N -1.79 3.49 0.48 1.40 -1.52 -0.37 -4.91 119.66 116.44 1iru s GLN 60 Ca 0.42 2.20 -0.22 0.00 -1.95 0.00 0.00 55.36 55.81 1iru s GLN 60 Cb -0.18 -2.46 -0.07 0.00 -0.22 0.00 0.00 33.01 30.08 1iru s GLN 60 CO 0.22 -0.90 1.17 0.15 -0.25 0.00 0.00 175.29 175.69 1iru s LYS 61 N -2.66 3.65 0.00 2.91 1.02 -1.26 -4.61 119.74 118.79 1iru s LYS 61 Ca 0.65 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.43 1iru s LYS 61 Cb -0.39 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1iru s LYS 61 CO 0.48 -0.65 0.00 1.63 -0.92 0.00 0.00 175.35 175.89 1iru n LYS 62 N -0.65 4.03 -5.21 1.68 4.76 -1.26 -4.93 118.16 116.57 1iru n LYS 62 Ca 0.08 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.20 1iru n LYS 62 Cb 0.48 -0.46 -0.17 0.00 -1.84 0.00 0.00 35.03 33.04 1iru n LYS 62 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1iru s ILE 63 N -0.30 2.04 0.05 -0.18 1.01 -1.26 -0.54 121.20 122.02 1iru s ILE 63 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1iru s ILE 63 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1iru s ILE 63 CO 0.00 0.56 -0.14 -0.76 0.00 0.00 0.00 174.94 174.60 1iru s LEU 64 N 0.29 2.21 -0.15 2.97 1.43 0.19 -4.96 118.68 120.66 1iru s LEU 64 Ca -0.17 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.19 1iru s LEU 64 Cb -0.17 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1iru s LEU 64 CO 0.08 -0.01 0.71 -2.28 0.23 0.00 0.00 176.35 175.08 1iru s HIS 65 N -1.00 3.45 -0.21 0.29 5.65 -1.26 -0.56 115.29 121.65 1iru s HIS 65 Ca -0.00 1.12 -0.16 0.00 0.25 0.00 0.00 55.06 56.27 1iru s HIS 65 Cb -0.09 -2.86 -0.08 0.00 -1.18 0.00 0.00 32.58 28.37 1iru s HIS 65 CO 0.02 -0.12 -0.30 0.28 -0.65 0.00 0.00 174.74 173.97 1iru n VAL 66 N 4.43 1.50 -3.93 0.89 0.31 -0.30 -4.96 118.33 116.27 1iru n VAL 66 Ca 0.00 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1iru n VAL 66 Cb 0.50 -2.20 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 1iru n VAL 66 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iru s ASP 67 N -6.41 -0.15 0.51 4.52 2.15 -0.45 -4.67 116.67 112.17 1iru s ASP 67 Ca -0.30 -0.79 0.36 0.00 0.43 0.00 0.00 52.55 52.25 1iru s ASP 67 Cb 0.07 0.61 1.51 0.00 -0.30 0.00 0.00 42.92 44.81 1iru s ASP 67 CO 0.43 -1.16 1.72 0.78 -0.17 0.00 0.00 175.17 176.77 1iru h ASN 68 N 2.20 0.11 -0.37 -0.34 2.35 -1.98 0.14 115.58 117.69 1iru h ASN 68 Ca -0.25 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1iru h ASN 68 Cb 1.25 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1iru h ASN 68 CO 0.33 -0.02 0.00 0.00 -1.65 0.00 0.00 177.43 176.10 1iru n HIS 69 N -4.27 0.50 -3.80 1.19 1.44 -1.26 -1.08 115.22 107.93 1iru n HIS 69 Ca 0.32 -0.48 -0.13 0.00 -2.01 0.00 0.00 57.72 55.42 1iru n HIS 69 Cb 1.39 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 31.36 1iru n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1iru s ILE 70 N -1.00 -0.00 0.14 0.61 1.01 0.50 -1.60 121.20 120.86 1iru s ILE 70 Ca 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 1iru s ILE 70 Cb 0.13 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.33 1iru s ILE 70 CO 0.18 0.01 0.25 -0.83 0.00 0.00 0.00 174.94 174.54 1iru s GLY 71 N 0.19 0.40 0.10 6.18 0.00 -0.60 -1.15 107.32 112.43 1iru s GLY 71 Ca -0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.81 1iru s GLY 71 CO -0.00 -0.85 0.14 -0.26 0.00 0.00 0.00 173.10 172.13 1iru s ILE 72 N -3.94 0.14 0.07 0.90 -4.36 0.28 -1.68 121.20 112.60 1iru s ILE 72 Ca 0.14 -1.47 0.09 0.00 -0.26 0.00 0.00 60.65 59.16 1iru s ILE 72 Cb 0.04 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 1iru s ILE 72 CO -0.03 -0.62 -0.25 -0.94 0.24 0.00 0.00 174.94 173.34 1iru s SER 73 N -2.92 3.01 0.21 4.36 1.04 -0.70 0.56 113.70 119.25 1iru s SER 73 Ca 0.11 -0.62 0.10 0.00 0.48 0.00 0.00 55.95 56.02 1iru s SER 73 Cb 0.06 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1iru s SER 73 CO -0.06 0.21 -0.19 0.27 0.98 0.00 0.00 173.24 174.45 1iru s ILE 74 N -0.88 2.05 -0.20 -1.02 -4.36 0.30 -2.21 121.20 114.88 1iru s ILE 74 Ca 0.11 -2.13 -0.07 0.00 -0.26 0.00 0.00 60.65 58.30 1iru s ILE 74 Cb -0.10 -2.05 0.09 0.00 1.25 0.00 0.00 42.46 41.65 1iru s ILE 74 CO 0.03 -0.37 0.42 0.00 0.24 0.00 0.00 174.94 175.26 1iru s ALA 75 N -2.32 -1.15 0.00 2.27 0.00 -1.17 -4.90 121.76 114.49 1iru s ALA 75 Ca 0.22 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1iru s ALA 75 Cb -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1iru s ALA 75 CO 0.09 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1iru n GLY 76 N 5.20 0.60 3.68 0.00 0.00 -1.25 -0.51 105.19 112.92 1iru n GLY 76 Ca -0.11 -2.12 -0.45 0.00 0.00 0.00 0.00 46.02 43.34 1iru n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iru n LEU 77 N 0.00 3.67 -0.19 0.99 4.77 0.75 -4.88 117.00 122.11 1iru n LEU 77 Ca 0.00 1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.90 1iru n LEU 77 Cb 0.00 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.63 1iru n LEU 77 CO 0.00 0.01 0.88 0.71 -1.33 0.00 0.00 177.39 177.66 1iru h THR 78 N 4.62 1.25 -0.68 -5.08 1.35 -1.96 -2.34 112.91 110.07 1iru h THR 78 Ca -0.47 -0.92 0.06 0.00 -0.55 0.00 0.00 66.41 64.53 1iru h THR 78 Cb 1.24 0.82 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1iru h THR 78 CO 0.93 0.33 0.45 0.00 -0.25 0.00 0.00 175.52 176.99 1iru h ALA 79 N 0.99 1.71 0.00 6.62 0.00 -1.98 0.28 119.26 126.88 1iru h ALA 79 Ca 0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1iru h ALA 79 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1iru h ALA 79 CO 0.01 0.19 -0.64 -0.44 0.00 0.00 0.00 179.25 178.37 1iru h ASP 80 N 0.73 0.00 -0.20 0.00 5.19 -1.87 -2.40 116.42 117.86 1iru h ASP 80 Ca 0.29 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.66 1iru h ASP 80 Cb 0.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1iru h ASP 80 CO -0.09 0.64 -0.03 0.00 -3.12 0.00 0.00 179.24 176.63 1iru h ALA 81 N 1.36 0.28 -0.78 3.45 0.00 -0.45 -1.88 119.26 121.24 1iru h ALA 81 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1iru h ALA 81 Cb 1.20 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1iru h ALA 81 CO 0.08 0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.82 1iru h ARG 82 N 0.11 1.06 0.54 0.00 3.08 -1.17 0.38 114.38 118.38 1iru h ARG 82 Ca 0.05 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1iru h ARG 82 Cb 0.47 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1iru h ARG 82 CO 0.02 0.76 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.35 1iru h LEU 83 N 1.08 -0.61 -1.02 3.04 3.38 -1.26 -0.89 115.31 119.03 1iru h LEU 83 Ca 0.28 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1iru h LEU 83 Cb -0.02 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1iru h LEU 83 CO -0.05 -0.40 0.45 -0.07 0.09 0.00 0.00 178.44 178.46 1iru h LEU 84 N -0.77 1.02 -0.26 1.67 3.38 -1.12 -1.09 115.31 118.13 1iru h LEU 84 Ca -0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1iru h LEU 84 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1iru h LEU 84 CO 0.12 0.82 0.13 0.00 0.09 0.00 0.00 178.44 179.60 1iru h ASN 86 N 0.30 0.24 0.01 0.00 2.35 -0.82 0.29 115.58 117.96 1iru h ASN 86 Ca 0.09 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1iru h ASN 86 Cb 0.08 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1iru h ASN 86 CO -0.01 0.41 -0.01 0.15 -1.65 0.00 0.00 177.43 176.32 1iru h PHE 87 N 0.24 -0.02 -0.99 1.19 3.57 -0.86 -0.95 116.94 119.13 1iru h PHE 87 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1iru h PHE 87 Cb 0.40 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1iru h PHE 87 CO 0.01 0.32 0.63 0.52 -2.23 0.00 0.00 178.31 177.56 1iru h MET 88 N -0.36 1.07 -0.38 1.11 2.86 -0.15 0.68 114.93 119.76 1iru h MET 88 Ca -0.00 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1iru h MET 88 Cb 0.35 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1iru h MET 88 CO 0.00 0.71 -0.07 0.00 1.06 0.00 0.00 176.91 178.61 1iru h ARG 89 N 1.10 0.71 0.11 1.72 3.08 -0.33 -2.44 114.38 118.33 1iru h ARG 89 Ca 0.45 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1iru h ARG 89 Cb 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1iru h ARG 89 CO -0.20 0.85 -0.05 0.37 -1.07 0.00 0.00 179.97 179.87 1iru h GLN 90 N 0.52 -0.14 -0.95 0.04 5.75 -0.45 -0.84 115.11 119.05 1iru h GLN 90 Ca 0.10 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.76 1iru h GLN 90 Cb 0.58 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.08 1iru h GLN 90 CO 0.03 0.04 0.60 0.93 -2.65 0.00 0.00 178.83 177.78 1iru h GLU 91 N -0.29 0.75 -0.12 1.69 4.39 -0.89 -0.92 114.58 119.18 1iru h GLU 91 Ca -0.01 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1iru h GLU 91 Cb 0.24 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1iru h GLU 91 CO 0.02 0.49 -0.15 0.00 -1.16 0.00 0.00 179.01 178.22 1iru h LEU 93 N -0.08 0.85 -0.65 0.00 3.38 -0.27 -1.23 115.31 117.32 1iru h LEU 93 Ca 0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1iru h LEU 93 Cb 0.69 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1iru h LEU 93 CO 0.04 0.48 0.27 0.44 0.09 0.00 0.00 178.44 179.76 1iru h ASP 94 N 0.93 0.88 0.04 -0.43 3.32 -1.12 -1.21 116.42 118.83 1iru h ASP 94 Ca 0.45 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1iru h ASP 94 Cb 0.46 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1iru h ASP 94 CO -0.21 0.80 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.78 1iru h SER 95 N 0.90 -0.12 -0.90 6.45 0.87 -0.90 -0.11 113.55 119.74 1iru h SER 95 Ca 0.22 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1iru h SER 95 Cb 0.18 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1iru h SER 95 CO -0.02 -0.07 0.53 0.03 -0.53 0.00 0.00 176.83 176.76 1iru h ARG 96 N -0.10 1.23 0.42 2.24 3.08 -1.28 0.28 114.38 120.26 1iru h ARG 96 Ca 0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1iru h ARG 96 Cb 0.10 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1iru h ARG 96 CO -0.02 0.87 -0.20 0.35 -1.07 0.00 0.00 179.97 179.90 1iru h PHE 97 N 1.25 -0.53 0.03 3.04 3.57 -0.68 0.43 116.94 124.05 1iru h PHE 97 Ca 0.32 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1iru h PHE 97 Cb -0.03 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1iru h PHE 97 CO 0.01 -0.29 -0.02 0.28 -2.23 0.00 0.00 178.31 176.06 1iru h VAL 98 N -0.64 1.40 -0.01 1.41 2.07 -0.91 -3.38 116.25 116.20 1iru h VAL 98 Ca -0.06 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1iru h VAL 98 Cb 0.47 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1iru h VAL 98 CO 0.10 0.39 -0.74 0.49 0.02 0.00 0.00 177.57 177.83 1iru n PHE 99 N -4.78 0.00 -3.31 1.57 3.01 0.98 -4.99 117.46 109.95 1iru n PHE 99 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1iru n PHE 99 Cb 0.33 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.83 1iru n PHE 99 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iru n ASP 100 N -0.82 -5.49 -3.81 4.37 2.03 0.15 -4.96 116.55 108.02 1iru n ASP 100 Ca 0.06 -0.41 -0.11 0.00 0.52 0.00 0.00 54.79 54.84 1iru n ASP 100 Cb 0.38 -4.42 -0.08 0.00 -0.72 0.00 0.00 41.12 36.28 1iru n ASP 100 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iru s ARG 101 N -5.99 0.68 0.30 -0.67 1.70 -1.26 -4.98 118.95 108.73 1iru s ARG 101 Ca 0.42 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.92 1iru s ARG 101 Cb -0.20 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.37 1iru s ARG 101 CO 0.52 -0.19 1.13 -1.25 -1.08 0.00 0.00 175.30 174.43 1iru s PRO 102 N -2.11 4.52 -0.08 3.89 0.04 -1.26 -3.47 135.00 136.54 1iru s PRO 102 Ca -0.08 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1iru s PRO 102 Cb -0.03 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 1iru s PRO 102 CO -0.01 0.09 1.98 -1.17 0.04 0.00 0.00 177.00 177.93 1iru s LEU 103 N -1.65 4.04 -0.18 -3.56 2.96 -1.26 -4.88 118.68 114.15 1iru s LEU 103 Ca 0.47 2.26 -0.38 0.00 -0.22 0.00 0.00 54.13 56.25 1iru s LEU 103 Cb -0.33 -3.52 -0.15 0.00 0.50 0.00 0.00 46.19 42.69 1iru s LEU 103 CO 0.42 -1.36 1.70 -2.65 -1.32 0.00 0.00 176.35 173.14 1iru n PRO 104 N 7.92 1.36 -0.31 0.98 -0.02 -1.26 -4.78 135.00 138.88 1iru n PRO 104 Ca 0.23 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.36 1iru n PRO 104 Cb 0.43 -2.20 0.34 0.00 -0.02 0.00 0.00 33.50 32.05 1iru n PRO 104 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iru h VAL 105 N 4.94 0.40 -0.26 -1.45 2.07 -1.94 0.15 116.25 120.16 1iru h VAL 105 Ca -0.47 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 1iru h VAL 105 Cb 1.31 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1iru h VAL 105 CO 0.93 0.06 -0.19 0.77 0.02 0.00 0.00 177.57 179.16 1iru h SER 106 N 0.35 0.46 0.09 0.57 4.64 -2.00 -1.81 113.55 115.85 1iru h SER 106 Ca 0.60 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.65 1iru h SER 106 Cb 1.21 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1iru h SER 106 CO -0.57 0.67 -0.46 0.03 -0.87 0.00 0.00 176.83 175.63 1iru h ARG 107 N 0.42 0.44 -0.68 4.77 3.08 -1.09 -2.02 114.38 119.31 1iru h ARG 107 Ca 0.07 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1iru h ARG 107 Cb 0.58 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1iru h ARG 107 CO 0.04 0.81 0.14 1.25 -1.07 0.00 0.00 179.97 181.14 1iru h LEU 108 N 0.36 1.03 -0.96 3.04 5.85 -0.96 -2.67 115.31 121.00 1iru h LEU 108 Ca 0.02 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1iru h LEU 108 Cb 0.94 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1iru h LEU 108 CO 0.08 1.01 0.17 0.58 -0.34 0.00 0.00 178.44 179.93 1iru h VAL 109 N 1.03 1.24 -0.04 1.05 2.07 -0.97 -1.79 116.25 118.83 1iru h VAL 109 Ca 0.21 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1iru h VAL 109 Cb 0.39 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1iru h VAL 109 CO 0.01 0.32 -0.22 0.28 0.02 0.00 0.00 177.57 177.98 1iru h SER 110 N 0.89 0.06 -0.06 0.57 0.02 -1.08 -0.98 113.55 112.96 1iru h SER 110 Ca 0.20 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1iru h SER 110 Cb 0.29 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1iru h SER 110 CO -0.00 0.28 -0.72 -0.07 -1.14 0.00 0.00 176.83 175.18 1iru h LEU 111 N 0.06 0.83 -0.51 5.07 3.38 -1.02 -0.74 115.31 122.38 1iru h LEU 111 Ca 0.01 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1iru h LEU 111 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1iru h LEU 111 CO 0.03 1.30 0.16 0.40 0.09 0.00 0.00 178.44 180.42 1iru h ILE 112 N 0.49 1.23 -0.52 1.22 2.04 -1.03 0.27 117.51 121.21 1iru h ILE 112 Ca -0.03 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.09 1iru h ILE 112 Cb 1.33 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1iru h ILE 112 CO 0.14 0.29 0.28 1.23 0.00 0.00 0.00 178.15 180.09 1iru h GLY 113 N 0.70 0.73 1.02 5.37 0.00 -1.01 0.18 103.07 110.06 1iru h GLY 113 Ca 0.17 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 1iru h GLY 113 CO -0.00 0.13 -0.44 1.76 0.00 0.00 0.00 176.54 177.99 1iru h SER 114 N 0.54 0.81 -0.45 0.19 0.02 -0.76 -2.87 113.55 111.04 1iru h SER 114 Ca 0.23 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 1iru h SER 114 Cb 0.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1iru h SER 114 CO -0.14 1.19 0.09 0.50 -1.14 0.00 0.00 176.83 177.33 1iru h LYS 115 N 0.47 0.73 0.00 3.45 3.64 -0.15 -2.83 116.57 121.89 1iru h LYS 115 Ca 0.02 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1iru h LYS 115 Cb 1.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1iru h LYS 115 CO 0.10 0.74 0.00 0.25 -2.27 0.00 0.00 179.45 178.27 1iru n THR 116 N -4.49 0.07 0.08 1.00 -2.24 0.59 -3.55 114.28 105.74 1iru n THR 116 Ca 0.00 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 1iru n THR 116 Cb 0.23 -0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 67.77 1iru n THR 116 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1iru h GLN 117 N 0.00 0.37 -0.72 -0.78 -0.00 -1.26 -3.39 115.11 109.33 1iru h GLN 117 Ca 0.00 -0.64 0.07 0.00 -0.00 0.00 0.00 58.65 58.08 1iru h GLN 117 Cb 0.34 0.24 -0.09 0.00 0.00 0.00 0.00 27.48 27.96 1iru h GLN 117 CO 0.00 1.30 -0.46 0.82 0.00 0.00 0.00 178.83 180.49 1iru h ILE 118 N -0.18 0.00 -0.00 2.39 2.04 -1.60 -0.25 117.51 119.90 1iru h ILE 118 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1iru h ILE 118 Cb 1.84 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1iru h ILE 118 CO 0.18 0.00 0.13 1.55 0.00 0.00 0.00 178.15 180.01 1iru h PRO 119 N -0.05 0.00 0.00 2.37 0.13 -1.77 -0.82 132.00 131.86 1iru h PRO 119 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1iru h PRO 119 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1iru h PRO 119 CO -0.70 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 177.32 1iru n THR 120 N -3.01 0.14 0.40 1.56 -2.24 -0.11 -3.49 114.28 107.53 1iru n THR 120 Ca -0.03 0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1iru n THR 120 Cb 0.19 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1iru n THR 120 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iru n GLN 121 N -1.49 2.68 -4.45 -0.78 7.27 -0.32 -4.55 117.38 115.73 1iru n GLN 121 Ca 0.07 -0.42 -0.34 0.00 0.07 0.00 0.00 57.00 56.37 1iru n GLN 121 Cb 0.31 -1.01 -0.11 0.00 2.41 0.00 0.00 30.24 31.84 1iru n GLN 121 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1iru s ARG 122 N -1.40 3.21 0.24 3.69 0.52 -1.21 -4.83 118.95 119.17 1iru s ARG 122 Ca 0.06 -0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 1iru s ARG 122 Cb 0.07 -2.79 -0.13 0.00 0.52 0.00 0.00 34.95 32.62 1iru s ARG 122 CO 0.26 0.50 1.55 0.98 0.02 0.00 0.00 175.30 178.61 1iru n TYR 123 N 2.74 2.50 0.00 -0.53 9.36 -1.26 -1.76 117.16 128.21 1iru n TYR 123 Ca -0.18 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1iru n TYR 123 Cb 0.53 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 1iru n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1iru n GLY 124 N 2.67 2.22 3.95 2.98 0.00 -1.26 -5.03 105.19 110.72 1iru n GLY 124 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1iru n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 125 N -0.45 3.15 0.13 1.61 1.81 -0.72 -5.10 118.95 119.37 1iru s ARG 125 Ca 0.00 -0.47 0.06 0.00 -1.72 0.00 0.00 55.73 53.61 1iru s ARG 125 Cb 0.00 -2.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.88 1iru s ARG 125 CO 0.00 -0.19 -0.15 -0.98 -0.68 0.00 0.00 175.30 173.30 1iru s ARG 126 N -4.50 1.07 0.70 3.54 1.70 -1.26 -4.53 118.95 115.67 1iru s ARG 126 Ca 0.47 -1.26 -0.14 0.00 -0.47 0.00 0.00 55.73 54.32 1iru s ARG 126 Cb -0.10 -1.00 0.02 0.00 -0.57 0.00 0.00 34.95 33.31 1iru s ARG 126 CO 0.37 0.20 1.13 -2.14 -1.08 0.00 0.00 175.30 173.78 1iru s PRO 127 N -2.66 2.48 0.32 3.89 0.02 -1.26 -4.65 135.00 133.13 1iru s PRO 127 Ca 0.10 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.30 1iru s PRO 127 Cb -0.05 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1iru s PRO 127 CO 0.04 -1.51 1.27 0.71 -0.33 0.00 0.00 177.00 177.18 1iru s TYR 128 N -2.33 3.15 -0.87 6.54 1.51 -1.26 -4.92 117.35 119.17 1iru s TYR 128 Ca 0.68 1.45 -0.01 0.00 -1.01 0.00 0.00 57.07 58.19 1iru s TYR 128 Cb -0.22 -3.61 0.34 0.00 -0.11 0.00 0.00 41.96 38.36 1iru s TYR 128 CO 0.45 -1.65 1.82 0.41 -1.11 0.00 0.00 175.55 175.48 1iru n GLY 129 N 0.95 5.80 3.33 0.71 0.00 -1.26 -4.37 105.19 110.35 1iru n GLY 129 Ca 0.00 -2.56 -0.14 0.00 0.00 0.00 0.00 46.02 43.33 1iru n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 130 N -4.80 0.02 0.30 1.61 0.11 -1.26 -0.18 120.40 116.20 1iru s VAL 130 Ca 0.47 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.45 1iru s VAL 130 Cb 0.33 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1iru s VAL 130 CO -0.28 -0.08 0.33 -0.83 -3.33 0.00 0.00 175.10 170.91 1iru s GLY 131 N -0.36 1.56 -0.09 6.54 0.00 0.33 -3.75 107.32 111.55 1iru s GLY 131 Ca -0.05 -1.49 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 1iru s GLY 131 CO 0.03 -1.45 0.27 1.08 0.00 0.00 0.00 173.10 173.03 1iru s LEU 132 N -4.00 0.97 -0.16 0.66 1.43 -0.57 -3.06 118.68 113.95 1iru s LEU 132 Ca 0.39 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1iru s LEU 132 Cb -0.08 0.96 -0.01 0.00 0.03 0.00 0.00 46.19 47.09 1iru s LEU 132 CO 0.28 -0.13 -0.11 -0.76 0.23 0.00 0.00 176.35 175.85 1iru s LEU 133 N -0.03 2.73 -0.17 1.79 1.43 -0.94 -1.49 118.68 122.00 1iru s LEU 133 Ca -0.02 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1iru s LEU 133 Cb -0.02 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1iru s LEU 133 CO 0.01 0.10 -0.11 -0.63 0.23 0.00 0.00 176.35 175.94 1iru s ILE 134 N 0.73 2.96 -0.20 -0.59 1.01 0.67 -1.72 121.20 124.06 1iru s ILE 134 Ca -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1iru s ILE 134 Cb -0.15 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 1iru s ILE 134 CO 0.02 0.49 -0.09 0.00 0.00 0.00 0.00 174.94 175.36 1iru s ALA 135 N 0.92 2.68 0.26 9.38 0.00 -0.68 -0.63 121.76 133.70 1iru s ALA 135 Ca -0.02 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1iru s ALA 135 Cb -0.15 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1iru s ALA 135 CO -0.01 -0.32 0.41 0.20 0.00 0.00 0.00 175.76 176.04 1iru s GLY 136 N 1.29 0.96 -0.18 0.00 0.00 -0.81 -1.56 107.32 107.01 1iru s GLY 136 Ca 0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.51 1iru s GLY 136 CO -0.04 -0.87 0.17 -0.47 0.00 0.00 0.00 173.10 171.89 1iru s TYR 137 N -3.78 -0.10 0.04 1.90 5.04 -0.63 -0.65 117.35 119.18 1iru s TYR 137 Ca 0.28 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1iru s TYR 137 Cb 0.01 -0.47 -0.00 0.00 0.35 0.00 0.00 41.96 41.84 1iru s TYR 137 CO 0.13 -0.55 0.00 -0.40 -1.34 0.00 0.00 175.55 173.39 1iru n ASP 138 N 5.31 1.92 -0.29 4.32 5.68 -0.79 -4.85 116.55 127.85 1iru n ASP 138 Ca -0.06 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1iru n ASP 138 Cb 0.49 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1iru n ASP 138 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1iru n ASP 139 N -1.20 0.21 -0.06 -1.12 5.68 -1.26 -0.10 116.55 118.70 1iru n ASP 139 Ca -0.02 -0.72 0.03 0.00 -0.50 0.00 0.00 54.79 53.58 1iru n ASP 139 Cb 0.05 -0.11 0.04 0.00 -1.14 0.00 0.00 41.12 39.97 1iru n ASP 139 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1iru n MET 140 N -0.02 1.85 0.00 0.11 2.81 -1.26 -5.12 117.12 115.50 1iru n MET 140 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 1iru n MET 140 Cb 0.05 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1iru n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iru n GLY 141 N -0.69 -1.74 3.77 3.03 0.00 0.86 -4.95 105.19 105.48 1iru n GLY 141 Ca 0.05 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1iru n GLY 141 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iru s PRO 142 N 0.00 2.76 -0.07 1.61 0.02 -1.26 -1.88 135.00 136.19 1iru s PRO 142 Ca 0.00 1.40 -0.16 0.00 0.02 0.00 0.00 61.00 62.27 1iru s PRO 142 Cb 0.00 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.61 1iru s PRO 142 CO 0.00 -1.28 0.37 -1.01 -0.33 0.00 0.00 177.00 174.75 1iru s HIS 143 N -2.33 -0.31 -0.17 6.54 3.76 0.18 -4.94 115.29 118.01 1iru s HIS 143 Ca 0.67 0.62 -0.03 0.00 -0.15 0.00 0.00 55.06 56.18 1iru s HIS 143 Cb -0.21 0.14 0.06 0.00 1.11 0.00 0.00 32.58 33.68 1iru s HIS 143 CO 0.42 -0.34 0.04 0.42 -0.85 0.00 0.00 174.74 174.43 1iru s ILE 144 N -0.74 0.41 0.30 0.60 -1.09 -1.24 -1.93 121.20 117.50 1iru s ILE 144 Ca -0.08 -0.40 0.09 0.00 -2.23 0.00 0.00 60.65 58.03 1iru s ILE 144 Cb -0.04 -0.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 1iru s ILE 144 CO 0.03 -0.15 0.06 -0.36 -1.23 0.00 0.00 174.94 173.28 1iru s PHE 145 N 1.92 2.71 -0.01 3.97 0.40 0.20 -0.09 117.98 127.07 1iru s PHE 145 Ca 0.00 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1iru s PHE 145 Cb -0.16 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1iru s PHE 145 CO -0.08 0.51 -0.09 -1.14 0.70 0.00 0.00 175.22 175.12 1iru s GLN 146 N -3.74 0.79 -0.01 0.44 0.74 -0.11 -0.24 119.66 117.53 1iru s GLN 146 Ca 0.34 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.44 1iru s GLN 146 Cb -0.05 -0.76 -0.00 0.00 1.10 0.00 0.00 33.01 33.30 1iru s GLN 146 CO 0.21 0.19 -0.09 0.95 -0.55 0.00 0.00 175.29 176.00 1iru s THR 147 N -0.15 0.70 0.31 -0.34 -4.23 -0.56 0.37 115.64 111.75 1iru s THR 147 Ca 0.02 -0.36 0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1iru s THR 147 Cb -0.04 -0.60 -0.06 0.00 1.34 0.00 0.00 72.50 73.14 1iru s THR 147 CO -0.00 0.21 -0.13 0.00 -0.54 0.00 0.00 174.62 174.15 1iru h PRO 149 N 2.15 0.02 -6.30 0.00 0.11 -1.76 -3.32 132.00 122.89 1iru h PRO 149 Ca -0.41 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.16 1iru h PRO 149 Cb 1.25 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1iru h PRO 149 CO 0.66 0.01 0.21 -1.54 -0.21 0.00 0.00 178.00 177.14 1iru s SER 150 N -5.06 7.23 0.00 -2.05 1.04 -1.26 -4.22 113.70 109.39 1iru s SER 150 Ca -0.05 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1iru s SER 150 Cb 0.23 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1iru s SER 150 CO 0.81 -0.08 0.07 0.00 0.98 0.00 0.00 173.24 175.03 1iru n ALA 151 N 3.23 0.73 -1.78 5.32 0.00 -1.25 -4.69 120.51 122.07 1iru n ALA 151 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1iru n ALA 151 Cb 0.50 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 1iru n ALA 151 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iru s ASN 152 N -1.13 6.24 0.06 0.00 3.84 -1.26 -4.53 114.94 118.16 1iru s ASN 152 Ca 0.00 2.10 -0.03 0.00 0.21 0.00 0.00 52.86 55.13 1iru s ASN 152 Cb 0.00 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.09 1iru s ASN 152 CO 0.00 -0.86 0.04 -0.72 -2.79 0.00 0.00 177.10 172.77 1iru s TYR 153 N -1.76 0.39 0.02 0.43 -0.85 -1.26 -1.79 117.35 112.53 1iru s TYR 153 Ca 0.66 -0.88 0.02 0.00 -0.52 0.00 0.00 57.07 56.34 1iru s TYR 153 Cb -0.22 -0.28 -0.01 0.00 0.38 0.00 0.00 41.96 41.83 1iru s TYR 153 CO 0.26 -0.42 -0.06 -0.06 -1.52 0.00 0.00 175.55 173.76 1iru s PHE 154 N -3.74 0.53 -0.29 -3.49 0.40 0.16 -4.95 117.98 106.60 1iru s PHE 154 Ca 0.05 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.97 1iru s PHE 154 Cb 0.06 -0.33 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 1iru s PHE 154 CO -0.10 -0.04 0.37 0.34 0.70 0.00 0.00 175.22 176.49 1iru s ASP 155 N -0.74 6.22 0.22 1.36 2.15 -1.26 -0.94 116.67 123.68 1iru s ASP 155 Ca -0.03 0.11 0.09 0.00 0.43 0.00 0.00 52.55 53.15 1iru s ASP 155 Cb -0.05 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1iru s ASP 155 CO 0.00 -0.24 -0.06 0.00 -0.17 0.00 0.00 175.17 174.71 1iru h ARG 157 N 2.48 0.12 -2.06 0.00 2.43 -1.94 -3.36 114.38 112.06 1iru h ARG 157 Ca -0.45 -0.21 0.16 0.00 -0.81 0.00 0.00 59.98 58.66 1iru h ARG 157 Cb 1.22 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.70 1iru h ARG 157 CO 0.57 0.84 0.58 0.00 -1.51 0.00 0.00 179.97 180.45 1iru s ALA 158 N -2.59 -1.88 0.04 2.80 0.00 -1.26 -3.41 121.76 115.45 1iru s ALA 158 Ca -0.11 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1iru s ALA 158 Cb 0.07 0.31 0.10 0.00 0.00 0.00 0.00 23.12 23.61 1iru s ALA 158 CO 0.81 -0.72 1.18 1.41 0.00 0.00 0.00 175.76 178.44 1iru s MET 159 N -2.94 0.66 -0.28 0.00 1.75 0.36 -4.95 119.30 113.89 1iru s MET 159 Ca 0.07 -0.36 -0.20 0.00 -1.25 0.00 0.00 55.69 53.95 1iru s MET 159 Cb -0.01 0.22 0.10 0.00 2.84 0.00 0.00 34.83 37.99 1iru s MET 159 CO -0.07 -0.30 0.84 0.45 -0.65 0.00 0.00 175.02 175.30 1iru s SER 160 N -2.97 -0.69 0.35 1.11 0.15 -1.26 0.88 113.70 111.28 1iru s SER 160 Ca 0.14 1.18 0.06 0.00 0.70 0.00 0.00 55.95 58.03 1iru s SER 160 Cb 0.03 1.25 -0.07 0.00 -1.71 0.00 0.00 66.02 65.52 1iru s SER 160 CO -0.02 -0.19 0.00 0.27 1.20 0.00 0.00 173.24 174.50 1iru s ILE 161 N 1.01 1.70 0.00 6.45 -4.36 -0.85 -4.82 121.20 120.33 1iru s ILE 161 Ca -0.05 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1iru s ILE 161 Cb -0.05 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.86 1iru s ILE 161 CO -0.12 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.60 1iru n GLY 162 N -0.79 -0.46 3.70 6.27 0.00 -1.26 -1.11 105.19 111.53 1iru n GLY 162 Ca -0.04 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 1iru n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 163 N -2.00 3.46 -1.83 4.61 0.00 -0.15 -2.97 121.76 122.88 1iru s ALA 163 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1iru s ALA 163 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1iru s ALA 163 CO 0.00 -0.61 0.00 0.54 0.00 0.00 0.00 175.76 175.69 1iru n ARG 164 N 4.54 -1.51 0.02 0.00 1.74 -1.26 -4.12 116.66 116.06 1iru n ARG 164 Ca 0.10 1.04 0.10 0.00 -0.77 0.00 0.00 57.85 58.32 1iru n ARG 164 Cb 0.46 -5.55 0.42 0.00 -1.02 0.00 0.00 32.46 26.76 1iru n ARG 164 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iru n SER 165 N -1.58 0.09 0.02 0.55 3.41 -1.16 -2.92 113.62 112.03 1iru n SER 165 Ca -0.22 0.52 0.02 0.00 -0.26 0.00 0.00 58.87 58.93 1iru n SER 165 Cb 0.67 -0.54 0.38 0.00 -0.26 0.00 0.00 64.21 64.46 1iru n SER 165 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1iru h GLN 166 N 0.00 0.48 -0.01 4.33 5.75 -1.88 -0.11 115.11 123.67 1iru h GLN 166 Ca 0.00 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1iru h GLN 166 Cb 0.35 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 1iru h GLN 166 CO 0.00 0.43 -0.00 0.77 -2.65 0.00 0.00 178.83 177.37 1iru h SER 167 N 0.48 0.02 -0.53 -0.69 0.02 -1.85 -2.20 113.55 108.80 1iru h SER 167 Ca 0.12 -0.43 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1iru h SER 167 Cb 0.14 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1iru h SER 167 CO -0.01 0.45 0.27 0.00 -1.14 0.00 0.00 176.83 176.40 1iru h ALA 168 N 0.57 0.68 -0.24 3.77 0.00 -1.59 -0.17 119.26 122.27 1iru h ALA 168 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1iru h ALA 168 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1iru h ALA 168 CO 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.16 1iru h ARG 169 N 0.53 0.04 -0.49 0.00 3.08 -1.00 -0.22 114.38 116.32 1iru h ARG 169 Ca 0.23 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.35 1iru h ARG 169 Cb 0.13 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1iru h ARG 169 CO -0.16 0.03 0.16 1.15 -1.07 0.00 0.00 179.97 180.08 1iru h THR 170 N 0.04 0.82 -0.86 2.04 2.02 -0.65 0.68 112.91 117.00 1iru h THR 170 Ca 0.11 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1iru h THR 170 Cb 0.16 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1iru h THR 170 CO -0.21 0.06 0.44 0.22 0.37 0.00 0.00 175.52 176.39 1iru h TYR 171 N 0.33 1.21 -0.51 3.16 3.20 -0.36 -2.64 116.97 121.36 1iru h TYR 171 Ca 0.24 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 1iru h TYR 171 Cb 0.26 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1iru h TYR 171 CO -0.17 0.86 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.98 1iru h LEU 172 N 1.21 1.01 -2.14 2.82 3.38 -0.28 -2.61 115.31 118.70 1iru h LEU 172 Ca 0.30 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1iru h LEU 172 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1iru h LEU 172 CO -0.04 1.15 -0.06 -0.08 0.09 0.00 0.00 178.44 179.50 1iru h GLU 173 N 0.87 0.00 0.06 1.13 4.81 -0.59 -2.00 114.58 118.86 1iru h GLU 173 Ca 0.12 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.09 1iru h GLU 173 Cb 0.73 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1iru h GLU 173 CO 0.06 0.06 -1.35 0.00 -0.73 0.00 0.00 179.01 177.05 1iru h ARG 174 N 0.00 0.12 -0.27 1.92 3.08 -1.13 -3.36 114.38 114.73 1iru h ARG 174 Ca -0.00 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1iru h ARG 174 Cb 0.26 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1iru h ARG 174 CO 0.01 0.98 -0.00 0.72 -1.07 0.00 0.00 179.97 180.60 1iru n HIS 175 N -3.36 0.95 0.18 3.04 8.25 -0.98 -4.75 115.22 118.56 1iru n HIS 175 Ca -0.10 -1.02 -0.16 0.00 -0.26 0.00 0.00 57.72 56.18 1iru n HIS 175 Cb 1.01 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 31.69 1iru n HIS 175 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1iru h MET 176 N 1.56 -0.73 -0.98 -0.41 2.86 -1.54 -1.88 114.93 113.80 1iru h MET 176 Ca 0.05 0.05 0.28 0.00 -2.06 0.00 0.00 59.70 58.02 1iru h MET 176 Cb 1.48 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 33.27 1iru h MET 176 CO 0.25 -0.49 0.93 0.66 1.06 0.00 0.00 176.91 179.33 1iru h SER 177 N -0.76 0.00 0.03 1.22 4.64 -1.89 0.11 113.55 116.90 1iru h SER 177 Ca -0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1iru h SER 177 Cb 0.73 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1iru h SER 177 CO -0.17 0.00 -0.85 -0.33 -0.87 0.00 0.00 176.83 174.61 1iru h GLU 178 N 0.00 0.53 -0.28 4.77 5.08 -1.70 -3.40 114.58 119.58 1iru h GLU 178 Ca 0.47 -0.61 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1iru h GLU 178 Cb 2.33 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 31.72 1iru h GLU 178 CO -0.00 1.23 -0.18 0.74 -1.00 0.00 0.00 179.01 179.80 1iru h PHE 179 N 0.10 -0.56 -1.51 4.33 0.05 -0.68 -2.86 116.94 115.81 1iru h PHE 179 Ca -0.11 0.04 0.49 0.00 3.82 0.00 0.00 57.97 62.21 1iru h PHE 179 Cb 1.55 0.28 -0.12 0.00 2.00 0.00 0.00 35.95 39.66 1iru h PHE 179 CO 0.13 -0.12 1.00 -1.33 -0.18 0.00 0.00 178.31 177.82 1iru n MET 180 N -3.65 -0.03 -0.08 1.51 2.81 -1.26 0.17 117.12 116.59 1iru n MET 180 Ca 0.00 1.19 0.10 0.00 -1.81 0.00 0.00 57.70 57.19 1iru n MET 180 Cb 0.08 -2.44 0.13 0.00 -0.71 0.00 0.00 33.22 30.29 1iru n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1iru n GLU 181 N -4.48 2.06 -1.77 0.03 -0.58 -1.09 -2.56 120.64 112.26 1iru n GLU 181 Ca 0.41 -1.91 -0.34 0.00 -0.42 0.00 0.00 57.16 54.89 1iru n GLU 181 Cb 1.66 -1.42 0.05 0.00 -0.57 0.00 0.00 31.44 31.16 1iru n GLU 181 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iru s ASN 183 N -2.15 6.35 0.00 0.00 4.22 -1.26 -4.81 114.94 117.29 1iru s ASN 183 Ca 0.72 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 1iru s ASN 183 Cb -0.25 -1.98 0.00 0.00 1.28 0.00 0.00 41.25 40.30 1iru s ASN 183 CO 0.39 -0.10 0.43 -0.11 -2.04 0.00 0.00 177.10 175.68 1iru n LEU 184 N -1.02 0.00 -0.42 3.54 7.94 -1.26 -1.12 117.00 124.67 1iru n LEU 184 Ca -0.06 0.43 0.36 0.00 -1.11 0.00 0.00 56.01 55.64 1iru n LEU 184 Cb 0.55 -0.16 0.68 0.00 0.53 0.00 0.00 43.42 45.02 1iru n LEU 184 CO 0.48 -0.16 1.30 0.78 -1.11 0.00 0.00 177.39 178.69 1iru h ASN 185 N 0.00 0.17 -0.06 1.96 4.21 -1.99 0.44 115.58 120.30 1iru h ASN 185 Ca 0.00 0.05 -0.20 0.00 1.21 0.00 0.00 56.30 57.36 1iru h ASN 185 Cb 0.00 0.04 0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1iru h ASN 185 CO 0.00 -0.03 -0.75 -0.33 -1.29 0.00 0.00 177.43 175.03 1iru h GLU 186 N 0.11 0.62 -0.22 0.81 5.08 -1.51 -2.08 114.58 117.40 1iru h GLU 186 Ca 0.70 -0.58 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1iru h GLU 186 Cb 2.42 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.80 1iru h GLU 186 CO -0.18 1.20 0.13 1.25 -1.00 0.00 0.00 179.01 180.41 1iru h LEU 187 N 0.26 0.22 -0.76 1.33 5.85 0.63 -1.14 115.31 121.70 1iru h LEU 187 Ca -0.08 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1iru h LEU 187 Cb 1.41 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1iru h LEU 187 CO 0.15 0.16 0.50 0.58 -0.34 0.00 0.00 178.44 179.49 1iru h VAL 188 N 0.28 1.17 -0.12 1.05 2.07 -0.96 -2.08 116.25 117.66 1iru h VAL 188 Ca 0.08 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1iru h VAL 188 Cb -0.02 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1iru h VAL 188 CO -0.03 0.18 0.04 0.11 0.02 0.00 0.00 177.57 177.89 1iru h LYS 189 N 1.01 0.09 -0.99 1.57 1.57 -0.91 0.27 116.57 119.18 1iru h LYS 189 Ca 0.29 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.22 1iru h LYS 189 Cb -0.08 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.11 1iru h LYS 189 CO -0.07 0.06 0.62 0.45 -0.57 0.00 0.00 179.45 179.93 1iru h HIS 190 N 0.10 1.06 0.58 -1.35 3.86 -0.86 0.65 115.15 119.18 1iru h HIS 190 Ca 0.05 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1iru h HIS 190 Cb 0.03 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.18 1iru h HIS 190 CO -0.10 0.32 -0.28 0.78 0.86 0.00 0.00 177.93 179.50 1iru h GLY 191 N 0.83 -0.82 0.48 2.45 0.00 -0.49 -0.43 103.07 105.10 1iru h GLY 191 Ca 0.54 0.30 0.13 0.00 0.00 0.00 0.00 47.33 48.30 1iru h GLY 191 CO -0.32 -0.30 0.61 1.41 0.00 0.00 0.00 176.54 177.94 1iru h LEU 192 N -1.00 0.80 -0.35 3.11 3.38 0.41 -1.25 115.31 120.40 1iru h LEU 192 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1iru h LEU 192 Cb 0.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1iru h LEU 192 CO 0.13 0.41 0.13 -0.09 0.09 0.00 0.00 178.44 179.12 1iru h ARG 193 N 0.85 0.53 -0.72 1.13 2.43 0.39 -2.19 114.38 116.81 1iru h ARG 193 Ca 0.48 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1iru h ARG 193 Cb 0.61 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1iru h ARG 193 CO -0.25 0.53 0.23 0.00 -1.51 0.00 0.00 179.97 178.97 1iru h ALA 194 N 0.98 0.94 -0.16 2.80 0.00 -0.05 -2.90 119.26 120.86 1iru h ALA 194 Ca 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1iru h ALA 194 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1iru h ALA 194 CO -0.01 0.62 0.08 1.25 0.00 0.00 0.00 179.25 181.19 1iru h LEU 195 N 1.06 0.12 -1.97 0.00 5.85 -1.13 -1.82 115.31 117.42 1iru h LEU 195 Ca 0.23 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.16 1iru h LEU 195 Cb 0.30 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1iru h LEU 195 CO -0.01 0.09 0.56 -0.09 -0.34 0.00 0.00 178.44 178.65 1iru h ARG 196 N 0.17 0.00 -0.17 1.25 2.43 -1.20 0.61 114.38 117.48 1iru h ARG 196 Ca 0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1iru h ARG 196 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1iru h ARG 196 CO -0.04 0.00 0.07 0.93 -1.51 0.00 0.00 179.97 179.42 1iru h GLU 197 N 0.00 0.23 -0.12 0.20 4.39 -1.19 -2.52 114.58 115.58 1iru h GLU 197 Ca 0.33 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1iru h GLU 197 Cb 1.44 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1iru h GLU 197 CO -0.00 0.19 0.00 0.25 -1.16 0.00 0.00 179.01 178.29 1iru n THR 198 N -4.47 0.15 -4.14 1.13 -2.24 0.21 -4.77 114.28 100.15 1iru n THR 198 Ca -0.00 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 1iru n THR 198 Cb 0.11 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1iru n THR 198 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iru s LEU 199 N -1.01 3.71 -0.00 3.22 1.43 -0.95 -4.81 118.68 120.27 1iru s LEU 199 Ca 0.08 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1iru s LEU 199 Cb 0.04 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1iru s LEU 199 CO 0.06 -0.03 1.36 -2.84 0.23 0.00 0.00 176.35 175.12 1iru s PRO 200 N -3.82 4.30 0.37 1.29 0.02 -1.26 -4.88 135.00 131.02 1iru s PRO 200 Ca 0.33 1.91 0.29 0.00 0.02 0.00 0.00 61.00 63.54 1iru s PRO 200 Cb -0.08 -3.55 1.22 0.00 0.02 0.00 0.00 34.50 32.12 1iru s PRO 200 CO 0.24 -0.53 1.23 0.00 -0.33 0.00 0.00 177.00 177.61 1iru n ALA 201 N 5.22 1.17 -0.07 -1.55 0.00 -1.26 -1.36 120.51 122.66 1iru n ALA 201 Ca 0.12 0.65 -0.05 0.00 0.00 0.00 0.00 53.44 54.17 1iru n ALA 201 Cb 0.44 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 19.06 1iru n ALA 201 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1iru n GLU 202 N -4.11 1.24 -3.64 0.00 -0.00 -1.26 -4.82 120.64 108.05 1iru n GLU 202 Ca 0.33 -0.51 -0.02 0.00 -0.00 0.00 0.00 57.16 56.96 1iru n GLU 202 Cb 1.32 -1.20 -0.04 0.00 -0.00 0.00 0.00 31.44 31.52 1iru n GLU 202 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1iru s GLN 203 N -0.58 0.06 0.00 3.44 -2.07 -0.46 -5.20 119.66 114.85 1iru s GLN 203 Ca 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 1iru s GLN 203 Cb 0.08 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 1iru s GLN 203 CO 0.01 -0.02 0.00 -0.40 -1.32 0.00 0.00 175.29 173.56 1iru n ASP 204 N 0.38 0.00 -4.68 12.60 5.75 -1.26 -4.55 116.55 124.79 1iru n ASP 204 Ca 0.01 -0.32 -0.42 0.00 -0.01 0.00 0.00 54.79 54.05 1iru n ASP 204 Cb 0.58 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 1iru n ASP 204 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1iru s LEU 205 N 0.00 4.41 0.21 -2.12 1.43 -1.26 -5.02 118.68 116.33 1iru s LEU 205 Ca 0.00 2.74 0.09 0.00 -1.03 0.00 0.00 54.13 55.93 1iru s LEU 205 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1iru s LEU 205 CO 0.00 -1.02 -0.06 -0.89 0.23 0.00 0.00 176.35 174.61 1iru s THR 206 N 3.16 3.30 -1.76 5.49 2.01 -1.26 -4.99 115.64 121.60 1iru s THR 206 Ca 0.83 -1.75 0.23 0.00 0.31 0.00 0.00 61.69 61.30 1iru s THR 206 Cb -0.45 -2.68 0.54 0.00 0.01 0.00 0.00 72.50 69.91 1iru s THR 206 CO 0.38 -0.21 1.73 0.35 -0.69 0.00 0.00 174.62 176.18 1iru n THR 207 N -0.31 0.14 -0.03 -0.82 -2.24 -1.26 -2.41 114.28 107.35 1iru n THR 207 Ca -0.09 0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1iru n THR 207 Cb 0.57 -0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 1iru n THR 207 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iru n LYS 208 N -1.12 0.66 -0.10 -0.78 4.01 -1.26 -4.31 118.16 115.25 1iru n LYS 208 Ca 0.14 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.99 1iru n LYS 208 Cb 0.12 -1.61 0.10 0.00 -0.51 0.00 0.00 35.03 33.13 1iru n LYS 208 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1iru n ASN 209 N -2.64 2.49 -4.56 4.39 2.04 -1.01 -4.83 115.26 111.13 1iru n ASN 209 Ca -0.17 -1.83 -0.33 0.00 -0.44 0.00 0.00 54.58 51.81 1iru n ASN 209 Cb 0.88 -0.14 -0.11 0.00 -2.53 0.00 0.00 39.78 37.88 1iru n ASN 209 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1iru s VAL 210 N -0.93 3.50 -0.01 3.53 1.01 -1.03 -0.36 120.40 126.12 1iru s VAL 210 Ca 0.17 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1iru s VAL 210 Cb 0.09 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1iru s VAL 210 CO 0.12 0.48 -0.03 -0.55 0.00 0.00 0.00 175.10 175.13 1iru s SER 211 N -1.13 0.38 0.00 3.32 0.15 -0.57 -4.70 113.70 111.15 1iru s SER 211 Ca 0.15 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.80 1iru s SER 211 Cb -0.11 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1iru s SER 211 CO 0.04 0.01 -0.16 -0.63 1.20 0.00 0.00 173.24 173.71 1iru s ILE 212 N 0.12 1.29 -0.08 6.45 1.01 -0.89 -0.83 121.20 128.27 1iru s ILE 212 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1iru s ILE 212 Cb -0.03 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.35 1iru s ILE 212 CO -0.00 0.27 -0.13 -0.83 0.00 0.00 0.00 174.94 174.25 1iru s GLY 213 N -0.63 0.89 -0.03 6.18 0.00 0.19 -1.24 107.32 112.68 1iru s GLY 213 Ca 0.05 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.27 1iru s GLY 213 CO 0.00 0.22 -0.10 -0.42 0.00 0.00 0.00 173.10 172.80 1iru s ILE 214 N 0.87 0.88 -0.02 0.90 1.01 -0.39 0.05 121.20 124.51 1iru s ILE 214 Ca -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 1iru s ILE 214 Cb -0.15 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1iru s ILE 214 CO 0.01 0.27 0.08 0.54 0.00 0.00 0.00 174.94 175.84 1iru s VAL 215 N 0.18 0.03 -0.17 2.92 0.11 -0.90 -0.57 120.40 121.98 1iru s VAL 215 Ca -0.03 -0.22 -0.35 0.00 -2.93 0.00 0.00 61.98 58.45 1iru s VAL 215 Cb -0.09 -0.19 0.14 0.00 -1.53 0.00 0.00 36.38 34.71 1iru s VAL 215 CO 0.01 -0.12 1.31 -0.83 -3.33 0.00 0.00 175.10 172.13 1iru s GLY 216 N -0.36 -0.32 0.43 6.54 0.00 0.30 -0.26 107.32 113.65 1iru s GLY 216 Ca -0.04 1.43 0.35 0.00 0.00 0.00 0.00 44.72 46.46 1iru s GLY 216 CO 0.00 0.43 1.37 0.28 0.00 0.00 0.00 173.10 175.19 1iru n LYS 217 N -0.20 -0.02 0.00 2.90 4.01 -0.69 0.13 118.16 124.29 1iru n LYS 217 Ca -0.01 1.04 0.11 0.00 -0.51 0.00 0.00 58.31 58.93 1iru n LYS 217 Cb 0.59 -2.19 -0.02 0.00 -0.51 0.00 0.00 35.03 32.90 1iru n LYS 217 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1iru n ASP 218 N -4.13 1.13 -3.77 4.39 5.75 -1.26 -4.98 116.55 113.68 1iru n ASP 218 Ca 0.37 -0.99 -0.13 0.00 -0.01 0.00 0.00 54.79 54.04 1iru n ASP 218 Cb 1.55 0.75 -0.11 0.00 -1.03 0.00 0.00 41.12 42.28 1iru n ASP 218 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1iru s LEU 219 N -2.88 0.83 0.44 -2.12 2.96 0.36 -5.15 118.68 113.13 1iru s LEU 219 Ca 0.11 0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 54.39 1iru s LEU 219 Cb 0.17 0.99 -0.09 0.00 0.50 0.00 0.00 46.19 47.77 1iru s LEU 219 CO 0.77 -0.11 1.06 -1.61 -1.32 0.00 0.00 176.35 175.14 1iru s GLU 220 N 0.25 3.96 -0.20 1.98 2.02 -1.26 -0.54 118.70 124.91 1iru s GLU 220 Ca -0.01 1.48 -0.41 0.00 0.02 0.00 0.00 54.97 56.05 1iru s GLU 220 Cb -0.03 -2.34 -0.18 0.00 0.10 0.00 0.00 34.13 31.69 1iru s GLU 220 CO -0.00 -0.31 1.52 0.34 0.02 0.00 0.00 175.26 176.82 1iru n PHE 221 N -0.49 1.65 -4.13 1.61 7.35 -0.24 -4.69 117.46 118.52 1iru n PHE 221 Ca 0.07 0.78 -0.15 0.00 -0.76 0.00 0.00 57.45 57.39 1iru n PHE 221 Cb 0.51 -2.32 -0.12 0.00 0.35 0.00 0.00 39.48 37.89 1iru n PHE 221 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1iru s THR 222 N 2.18 0.67 0.02 -2.13 2.01 0.26 -4.97 115.64 113.68 1iru s THR 222 Ca 0.96 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 62.06 1iru s THR 222 Cb -1.17 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1iru s THR 222 CO 0.64 -0.22 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.60 1iru s ILE 223 N -1.07 3.27 -0.08 1.82 1.01 -1.26 -1.26 121.20 123.63 1iru s ILE 223 Ca -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1iru s ILE 223 Cb -0.08 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1iru s ILE 223 CO 0.01 0.36 -0.12 -0.31 0.00 0.00 0.00 174.94 174.88 1iru s TYR 224 N -0.97 1.54 0.00 3.97 1.51 -0.37 -5.01 117.35 118.02 1iru s TYR 224 Ca 0.16 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1iru s TYR 224 Cb -0.11 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1iru s TYR 224 CO 0.07 -0.35 0.00 -0.25 -1.11 0.00 0.00 175.55 173.91 1iru n ASP 225 N 4.07 3.19 0.00 2.29 8.00 -1.26 -2.10 116.55 130.74 1iru n ASP 225 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1iru n ASP 225 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1iru n ASP 225 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iru n ASP 226 N -2.52 0.00 0.02 -2.24 8.00 -1.26 -4.67 116.55 113.88 1iru n ASP 226 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1iru n ASP 226 Cb 0.47 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 42.03 1iru n ASP 226 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1iru h ASP 227 N 0.00 0.40 0.00 -2.24 3.32 -1.99 -0.29 116.42 115.62 1iru h ASP 227 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1iru h ASP 227 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1iru h ASP 227 CO 0.00 0.29 0.10 0.44 -1.72 0.00 0.00 179.24 178.34 1iru h ASP 228 N 0.47 0.00 1.13 6.45 3.32 -1.95 -0.66 116.42 125.18 1iru h ASP 228 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1iru h ASP 228 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1iru h ASP 228 CO -0.04 0.00 -0.89 0.58 -1.72 0.00 0.00 179.24 177.17 1iru h VAL 229 N 0.00 0.14 -0.23 -1.35 2.07 -1.31 -3.39 116.25 112.18 1iru h VAL 229 Ca 0.00 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1iru h VAL 229 Cb 0.20 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1iru h VAL 229 CO 0.00 0.08 -0.48 0.28 0.02 0.00 0.00 177.57 177.47 1iru h SER 230 N 0.00 -1.56 -1.73 0.57 0.02 -1.18 -1.32 113.55 108.35 1iru h SER 230 Ca -0.03 0.19 0.50 0.00 -0.84 0.00 0.00 61.79 61.62 1iru h SER 230 Cb 1.13 0.62 -0.07 0.00 0.14 0.00 0.00 62.40 64.22 1iru h SER 230 CO 0.01 -0.39 1.36 -2.65 -1.14 0.00 0.00 176.83 174.02 1iru n PRO 231 N -5.03 0.00 -0.01 3.45 -0.02 -1.26 0.80 135.00 132.93 1iru n PRO 231 Ca -0.04 1.05 -0.16 0.00 -2.02 0.00 0.00 63.50 62.33 1iru n PRO 231 Cb 0.31 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.18 1iru n PRO 231 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1iru n PHE 232 N -3.73 1.07 0.20 6.00 3.01 -0.55 -4.12 117.46 119.35 1iru n PHE 232 Ca 0.39 0.29 0.06 0.00 1.01 0.00 0.00 57.45 59.20 1iru n PHE 232 Cb 1.88 -1.16 0.43 0.00 -0.01 0.00 0.00 39.48 40.62 1iru n PHE 232 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1iru h LEU 233 N 0.04 0.00 -9.75 4.37 3.38 0.99 -3.44 115.31 110.89 1iru h LEU 233 Ca -0.38 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.07 1iru h LEU 233 Cb 2.03 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.82 1iru h LEU 233 CO 0.08 0.32 0.64 -1.61 0.09 0.00 0.00 178.44 177.95 1iru s GLU 234 N -3.97 4.40 0.00 1.13 2.02 -0.43 -2.77 118.70 119.07 1iru s GLU 234 Ca -0.02 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1iru s GLU 234 Cb 0.13 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1iru s GLU 234 CO 0.68 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1iru n GLY 235 N 1.78 0.60 3.31 -1.39 0.00 -1.26 -5.00 105.19 103.24 1iru n GLY 235 Ca 0.04 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1iru n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iru s LEU 236 N 0.00 5.19 -0.20 0.99 1.43 -1.11 -5.03 118.68 119.95 1iru s LEU 236 Ca 0.00 -1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 51.41 1iru s LEU 236 Cb 0.00 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 1iru s LEU 236 CO 0.00 -0.54 2.13 -1.84 0.23 0.00 0.00 176.35 176.34 1iru n GLU 237 N 4.99 1.89 -0.05 1.70 -0.00 -1.26 -4.73 120.64 123.18 1iru n GLU 237 Ca -0.11 0.58 0.00 0.00 -0.00 0.00 0.00 57.16 57.63 1iru n GLU 237 Cb 0.44 -2.93 0.00 0.00 -0.00 0.00 0.00 31.44 28.94 1iru n GLU 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1iru n GLU 238 N 8.15 0.52 -3.11 3.44 -0.58 -1.26 -4.52 120.64 123.28 1iru n GLU 238 Ca 0.30 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.60 1iru n GLU 238 Cb 0.37 -1.24 -0.01 0.00 -0.57 0.00 0.00 31.44 29.99 1iru n GLU 238 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1iru s ARG 239 N 0.57 4.03 0.52 3.49 3.00 -1.26 -5.05 118.95 124.25 1iru s ARG 239 Ca 0.00 -2.68 -0.22 0.00 -1.00 0.00 0.00 55.73 51.83 1iru s ARG 239 Cb 0.00 -4.83 -0.07 0.00 0.00 0.00 0.00 34.95 30.06 1iru s ARG 239 CO 0.00 -1.56 1.21 -0.35 0.00 0.00 0.00 175.30 174.60 1iru n PRO 240 N 4.66 1.52 0.00 5.12 -0.04 -1.26 -5.23 135.00 139.76 1iru n PRO 240 Ca 0.29 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1iru n PRO 240 Cb 0.43 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1iru n PRO 240 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50