#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s ASP 9 N 0.00 2.48 0.33 2.98 2.15 -1.26 -5.13 116.67 118.22 1iru s ASP 9 Ca 0.00 -0.42 0.03 0.00 0.43 0.00 0.00 52.55 52.59 1iru s ASP 9 Cb 0.00 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.58 1iru s ASP 9 CO 0.00 -0.10 0.13 0.00 -0.17 0.00 0.00 175.17 175.03 1iru s ARG 10 N 1.60 1.68 0.73 4.34 1.70 -1.26 -5.15 118.95 122.59 1iru s ARG 10 Ca 0.04 -1.97 -0.12 0.00 -0.47 0.00 0.00 55.73 53.21 1iru s ARG 10 Cb -0.13 -0.38 0.03 0.00 -0.57 0.00 0.00 34.95 33.90 1iru s ARG 10 CO -0.09 -0.40 1.10 0.20 -1.08 0.00 0.00 175.30 175.03 1iru s GLY 11 N -3.45 1.86 0.25 3.88 0.00 -1.26 -4.92 107.32 103.69 1iru s GLY 11 Ca 0.33 0.37 0.24 0.00 0.00 0.00 0.00 44.72 45.66 1iru s GLY 11 CO 0.16 0.72 1.71 3.33 0.00 0.00 0.00 173.10 179.02 1iru n VAL 12 N -3.07 0.81 -1.44 1.40 0.24 -1.26 -2.84 118.33 112.18 1iru n VAL 12 Ca 0.10 0.20 -0.17 0.00 -2.04 0.00 0.00 64.34 62.42 1iru n VAL 12 Cb 0.53 -1.13 0.15 0.00 -1.47 0.00 0.00 33.84 31.92 1iru n VAL 12 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1iru n ASN 13 N -2.24 3.96 -4.83 -1.34 3.02 -1.26 -4.44 115.26 108.13 1iru n ASN 13 Ca 0.02 -3.74 -0.36 0.00 -0.03 0.00 0.00 54.58 50.47 1iru n ASN 13 Cb 0.24 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.63 1iru n ASN 13 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1iru s THR 14 N -3.68 4.79 0.23 3.41 2.01 -1.13 -5.04 115.64 116.24 1iru s THR 14 Ca 0.52 1.00 -0.05 0.00 0.31 0.00 0.00 61.69 63.47 1iru s THR 14 Cb 0.45 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1iru s THR 14 CO 0.03 0.34 0.49 -0.36 -0.69 0.00 0.00 174.62 174.43 1iru s PHE 15 N -1.36 3.47 0.47 4.92 0.40 -1.26 -2.89 117.98 121.73 1iru s PHE 15 Ca 0.35 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1iru s PHE 15 Cb -0.17 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.29 1iru s PHE 15 CO 0.19 0.28 0.70 -1.54 0.70 0.00 0.00 175.22 175.55 1iru s SER 16 N -2.85 5.74 0.64 1.36 1.04 -0.01 -4.89 113.70 114.73 1iru s SER 16 Ca 0.43 0.27 0.40 0.00 0.48 0.00 0.00 55.95 57.53 1iru s SER 16 Cb -0.11 -1.45 2.20 0.00 0.10 0.00 0.00 66.02 66.76 1iru s SER 16 CO 0.27 -0.78 2.24 -0.65 0.98 0.00 0.00 173.24 175.29 1iru h PRO 17 N 0.32 0.00 0.00 4.02 0.11 -1.99 0.00 132.00 134.46 1iru h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iru h PRO 17 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1iru h PRO 17 CO 0.57 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 1iru n GLU 18 N -2.97 0.29 -2.26 1.05 1.02 -1.26 -4.91 120.64 111.60 1iru n GLU 18 Ca -0.03 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 1iru n GLU 18 Cb 0.12 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.04 1iru n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iru n GLY 19 N 1.17 0.56 3.08 0.62 0.00 -0.01 -5.07 105.19 105.53 1iru n GLY 19 Ca 0.12 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1iru n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 20 N -4.45 0.24 -0.22 1.61 0.52 -1.26 -4.92 118.95 110.48 1iru s ARG 20 Ca 0.01 0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.18 1iru s ARG 20 Cb -0.01 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.58 1iru s ARG 20 CO 0.05 -0.03 1.19 -0.51 0.02 0.00 0.00 175.30 176.01 1iru s LEU 21 N 0.04 4.09 0.18 2.53 1.43 -1.26 -0.83 118.68 124.86 1iru s LEU 21 Ca -0.01 1.48 -0.24 0.00 -1.03 0.00 0.00 54.13 54.33 1iru s LEU 21 Cb -0.02 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1iru s LEU 21 CO 0.00 -0.79 1.57 -0.26 0.23 0.00 0.00 176.35 177.10 1iru h PHE 22 N 8.13 -1.23 -0.06 0.29 -1.00 -1.84 -1.41 116.94 119.81 1iru h PHE 22 Ca -0.24 0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.67 1iru h PHE 22 Cb 1.09 0.64 -0.05 0.00 3.61 0.00 0.00 35.95 41.23 1iru h PHE 22 CO 0.80 -0.41 -0.25 1.96 -1.61 0.00 0.00 178.31 178.80 1iru h GLN 23 N -0.15 -0.34 -0.69 1.51 1.08 -1.85 0.23 115.11 114.89 1iru h GLN 23 Ca 0.22 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.56 1iru h GLN 23 Cb 0.56 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1iru h GLN 23 CO -0.77 -0.23 0.46 0.28 -0.95 0.00 0.00 178.83 177.62 1iru h VAL 24 N -0.36 0.88 -0.15 -0.54 2.07 -1.73 -0.57 116.25 115.85 1iru h VAL 24 Ca 0.08 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1iru h VAL 24 Cb 0.47 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1iru h VAL 24 CO -0.26 0.09 -0.57 -0.33 0.02 0.00 0.00 177.57 176.51 1iru h GLU 25 N 0.49 0.65 0.00 1.57 4.39 -0.17 -2.84 114.58 118.67 1iru h GLU 25 Ca 0.32 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1iru h GLU 25 Cb 0.61 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1iru h GLU 25 CO -0.10 1.12 0.00 1.88 -1.16 0.00 0.00 179.01 180.75 1iru h TYR 26 N 0.31 0.00 0.00 4.33 0.99 0.89 -2.48 116.97 121.01 1iru h TYR 26 Ca -0.03 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.38 1iru h TYR 26 Cb 1.20 0.00 -0.06 0.00 1.00 0.00 0.00 36.73 38.88 1iru h TYR 26 CO 0.10 0.00 -2.10 -0.40 -0.00 0.00 0.00 178.16 175.76 1iru n ASP 27 N -2.34 0.33 -0.24 3.88 3.85 -0.55 -3.23 116.55 118.24 1iru n ASP 27 Ca 0.01 0.15 0.06 0.00 -0.71 0.00 0.00 54.79 54.30 1iru n ASP 27 Cb 0.16 0.66 0.31 0.00 -1.35 0.00 0.00 41.12 40.90 1iru n ASP 27 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1iru h ILE 28 N 0.00 1.02 -0.65 2.12 1.08 -1.20 0.15 117.51 120.03 1iru h ILE 28 Ca -0.42 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1iru h ILE 28 Cb 2.08 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 1iru h ILE 28 CO 0.05 0.16 0.34 -0.33 -0.69 0.00 0.00 178.15 177.67 1iru h GLU 29 N 0.85 0.92 -0.16 2.37 4.39 -1.55 -2.67 114.58 118.72 1iru h GLU 29 Ca 0.36 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1iru h GLU 29 Cb 0.29 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1iru h GLU 29 CO -0.13 0.71 0.10 0.00 -1.16 0.00 0.00 179.01 178.53 1iru h ALA 30 N 1.16 1.87 -0.43 3.43 0.00 -0.69 -2.15 119.26 122.45 1iru h ALA 30 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1iru h ALA 30 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1iru h ALA 30 CO -0.03 0.11 0.11 0.82 0.00 0.00 0.00 179.25 180.26 1iru h ILE 31 N 0.22 1.19 0.00 0.00 2.04 -1.06 -1.43 117.51 118.48 1iru h ILE 31 Ca 0.06 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1iru h ILE 31 Cb -0.02 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1iru h ILE 31 CO -0.01 0.25 0.00 0.29 0.00 0.00 0.00 178.15 178.67 1iru n LYS 32 N -4.32 0.03 -0.04 2.37 5.02 -0.81 -0.64 118.16 119.77 1iru n LYS 32 Ca 0.03 0.48 0.11 0.00 -2.02 0.00 0.00 58.31 56.90 1iru n LYS 32 Cb 0.20 -1.58 0.12 0.00 -0.02 0.00 0.00 35.03 33.75 1iru n LYS 32 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1iru n LEU 33 N -1.63 2.94 -4.96 -0.35 4.77 -0.54 -3.81 117.00 113.43 1iru n LEU 33 Ca 0.00 -1.12 -0.24 0.00 -0.03 0.00 0.00 56.01 54.63 1iru n LEU 33 Cb 0.04 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1iru n LEU 33 CO 0.04 0.53 0.55 -0.83 -1.33 0.00 0.00 177.39 176.35 1iru s GLY 34 N -1.73 1.76 0.79 -0.72 0.00 0.18 -4.91 107.32 102.69 1iru s GLY 34 Ca 0.28 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 1iru s GLY 34 CO 0.28 -0.84 1.09 -0.56 0.00 0.00 0.00 173.10 173.07 1iru s SER 35 N -4.58 4.50 0.01 1.64 0.01 -1.26 -1.91 113.70 112.10 1iru s SER 35 Ca 0.62 1.46 -0.12 0.00 1.31 0.00 0.00 55.95 59.22 1iru s SER 35 Cb -0.09 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 1iru s SER 35 CO 0.43 -1.98 0.37 0.28 0.41 0.00 0.00 173.24 172.75 1iru s THR 36 N -3.07 5.11 0.03 1.44 -1.32 -1.26 -4.10 115.64 112.47 1iru s THR 36 Ca 0.61 0.64 0.02 0.00 -1.21 0.00 0.00 61.69 61.74 1iru s THR 36 Cb -0.15 -3.65 -0.02 0.00 -1.51 0.00 0.00 72.50 67.17 1iru s THR 36 CO 0.55 0.49 -0.06 0.00 -2.21 0.00 0.00 174.62 173.40 1iru s ALA 37 N -1.17 0.43 0.01 11.08 0.00 0.58 -2.17 121.76 130.51 1iru s ALA 37 Ca 0.26 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1iru s ALA 37 Cb -0.15 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1iru s ALA 37 CO 0.14 -0.02 -0.14 0.42 0.00 0.00 0.00 175.76 176.16 1iru s ILE 38 N -1.05 1.13 -0.04 0.00 1.01 0.21 -1.07 121.20 121.40 1iru s ILE 38 Ca -0.08 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1iru s ILE 38 Cb -0.08 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1iru s ILE 38 CO 0.00 0.22 -0.07 -0.83 0.00 0.00 0.00 174.94 174.25 1iru s GLY 39 N -0.61 0.52 0.02 6.18 0.00 0.25 -0.54 107.32 113.14 1iru s GLY 39 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.59 1iru s GLY 39 CO 0.00 0.15 -0.14 -0.42 0.00 0.00 0.00 173.10 172.69 1iru s ILE 40 N 0.53 1.07 -0.24 0.90 1.01 -0.77 -0.45 121.20 123.25 1iru s ILE 40 Ca -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1iru s ILE 40 Cb -0.12 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1iru s ILE 40 CO 0.01 0.14 -0.03 -1.58 0.00 0.00 0.00 174.94 173.47 1iru s GLN 41 N -0.76 3.10 0.17 2.79 0.74 0.32 -1.88 119.66 124.15 1iru s GLN 41 Ca 0.03 -0.81 0.11 0.00 0.05 0.00 0.00 55.36 54.74 1iru s GLN 41 Cb -0.07 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 1iru s GLN 41 CO 0.00 -0.32 -0.25 0.99 -0.55 0.00 0.00 175.29 175.17 1iru s THR 42 N 1.41 2.29 -0.41 -0.34 2.01 0.14 -4.87 115.64 115.88 1iru s THR 42 Ca 0.03 -1.94 0.14 0.00 0.31 0.00 0.00 61.69 60.24 1iru s THR 42 Cb -0.16 -2.06 0.14 0.00 0.01 0.00 0.00 72.50 70.43 1iru s THR 42 CO -0.03 -0.06 1.42 -1.54 -0.69 0.00 0.00 174.62 173.72 1iru n SER 43 N 0.48 0.37 -0.74 3.53 3.41 -1.26 -0.12 113.62 119.29 1iru n SER 43 Ca -0.14 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1iru n SER 43 Cb 0.55 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1iru n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iru n GLU 44 N -2.00 1.87 -1.57 4.33 1.02 -1.26 -4.81 120.64 118.22 1iru n GLU 44 Ca -0.01 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 1iru n GLU 44 Cb 0.06 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1iru n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iru n GLY 45 N 0.89 -0.44 3.08 0.62 0.00 0.82 -4.19 105.19 105.97 1iru n GLY 45 Ca 0.12 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1iru n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 46 N -1.54 0.82 0.09 1.61 1.01 0.11 0.26 120.40 122.75 1iru s VAL 46 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1iru s VAL 46 Cb 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1iru s VAL 46 CO 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 175.10 174.90 1iru s LEU 48 N -1.95 1.60 -0.01 0.00 1.43 0.39 -1.85 118.68 118.30 1iru s LEU 48 Ca 0.01 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1iru s LEU 48 Cb -0.08 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1iru s LEU 48 CO 0.02 0.02 -0.05 0.00 0.23 0.00 0.00 176.35 176.57 1iru s ALA 49 N 0.56 0.46 -0.02 4.21 0.00 0.30 -1.49 121.76 125.79 1iru s ALA 49 Ca -0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 1iru s ALA 49 Cb -0.13 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1iru s ALA 49 CO 0.02 0.09 0.19 0.54 0.00 0.00 0.00 175.76 176.59 1iru s VAL 50 N 0.06 0.06 -0.20 0.00 0.11 -0.51 0.66 120.40 120.57 1iru s VAL 50 Ca -0.00 -0.48 -0.23 0.00 -2.93 0.00 0.00 61.98 58.34 1iru s VAL 50 Cb -0.04 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1iru s VAL 50 CO -0.00 -0.26 0.75 -1.83 -3.33 0.00 0.00 175.10 170.42 1iru s GLU 51 N -1.00 4.23 0.30 1.54 -1.05 -0.92 -1.02 118.70 120.78 1iru s GLU 51 Ca -0.11 0.83 -0.00 0.00 -0.15 0.00 0.00 54.97 55.54 1iru s GLU 51 Cb -0.06 -3.60 0.47 0.00 -0.44 0.00 0.00 34.13 30.50 1iru s GLU 51 CO 0.02 -0.35 1.89 0.87 0.95 0.00 0.00 175.26 178.64 1iru h LYS 52 N 7.50 0.85 -4.69 -4.83 1.57 -1.71 -3.42 116.57 111.85 1iru h LYS 52 Ca -0.28 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 1iru h LYS 52 Cb 1.13 -0.15 0.13 0.00 0.08 0.00 0.00 32.23 33.42 1iru h LYS 52 CO 0.82 0.69 -0.57 -2.13 -0.57 0.00 0.00 179.45 177.69 1iru n ARG 53 N -4.33 -1.53 -1.91 3.15 0.63 -1.26 -4.95 116.66 106.46 1iru n ARG 53 Ca 0.05 0.62 -0.41 0.00 -0.92 0.00 0.00 57.85 57.19 1iru n ARG 53 Cb 0.16 -4.49 -0.01 0.00 0.45 0.00 0.00 32.46 28.57 1iru n ARG 53 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1iru s ILE 54 N -3.26 2.32 -0.95 5.15 1.01 -1.26 -4.93 121.20 119.28 1iru s ILE 54 Ca 0.30 0.30 0.10 0.00 0.00 0.00 0.00 60.65 61.36 1iru s ILE 54 Cb -0.04 -3.19 0.27 0.00 0.01 0.00 0.00 42.46 39.50 1iru s ILE 54 CO 0.51 0.06 1.19 0.35 0.00 0.00 0.00 174.94 177.05 1iru n THR 55 N 1.28 0.86 -3.62 2.92 -2.24 -1.26 -5.02 114.28 107.20 1iru n THR 55 Ca 0.03 -0.93 -0.06 0.00 -2.27 0.00 0.00 64.05 60.83 1iru n THR 55 Cb 0.40 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1iru n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1iru s SER 56 N -0.99 -0.19 0.33 3.42 0.15 -1.26 -5.02 113.70 110.14 1iru s SER 56 Ca 0.21 0.26 0.11 0.00 0.70 0.00 0.00 55.95 57.23 1iru s SER 56 Cb 0.11 0.22 0.56 0.00 -1.71 0.00 0.00 66.02 65.20 1iru s SER 56 CO 0.15 -0.14 1.73 -0.65 1.20 0.00 0.00 173.24 175.53 1iru h PRO 57 N 2.63 0.04 0.00 5.44 0.11 -2.04 -2.84 132.00 135.33 1iru h PRO 57 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1iru h PRO 57 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iru h PRO 57 CO 0.23 0.49 0.00 1.28 -0.21 0.00 0.00 178.00 179.79 1iru n LEU 58 N -3.99 0.00 -4.59 2.35 4.77 -1.26 -4.72 117.00 109.57 1iru n LEU 58 Ca -0.02 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.65 1iru n LEU 58 Cb 0.49 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1iru n LEU 58 CO 0.40 -0.01 -0.23 -0.32 -1.33 0.00 0.00 177.39 175.91 1iru s MET 59 N -2.10 3.92 -0.16 3.23 1.75 -1.08 -5.04 119.30 119.82 1iru s MET 59 Ca 0.35 -0.35 -0.29 0.00 -1.25 0.00 0.00 55.69 54.15 1iru s MET 59 Cb 0.17 -3.40 -0.06 0.00 2.84 0.00 0.00 34.83 34.38 1iru s MET 59 CO 0.30 0.03 2.16 0.39 -0.65 0.00 0.00 175.02 177.26 1iru n GLU 60 N 4.32 2.17 0.25 4.11 -0.58 -1.26 -4.83 120.64 124.81 1iru n GLU 60 Ca -0.16 0.66 0.17 0.00 -0.42 0.00 0.00 57.16 57.41 1iru n GLU 60 Cb 0.52 -3.17 0.89 0.00 -0.57 0.00 0.00 31.44 29.11 1iru n GLU 60 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1iru h PRO 61 N 13.94 0.00 -0.00 3.49 0.13 -1.93 -1.67 132.00 145.96 1iru h PRO 61 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1iru h PRO 61 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1iru h PRO 61 CO 0.96 0.00 -0.83 0.66 -0.23 0.00 0.00 178.00 178.56 1iru h SER 62 N 0.00 0.19 0.00 1.44 4.64 -1.91 -3.26 113.55 114.65 1iru h SER 62 Ca 0.04 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1iru h SER 62 Cb 0.28 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1iru h SER 62 CO -0.00 0.94 0.00 -1.54 -0.87 0.00 0.00 176.83 175.36 1iru n SER 63 N -3.66 4.44 -3.46 4.97 3.41 -0.63 -4.38 113.62 114.31 1iru n SER 63 Ca -0.03 -2.19 -0.26 0.00 -0.26 0.00 0.00 58.87 56.14 1iru n SER 63 Cb 0.78 -0.92 -0.12 0.00 -0.26 0.00 0.00 64.21 63.69 1iru n SER 63 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1iru s ILE 64 N 0.18 -0.05 -0.34 -1.33 1.01 -1.23 -5.00 121.20 114.44 1iru s ILE 64 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 60.65 59.39 1iru s ILE 64 Cb 0.00 -0.99 0.06 0.00 0.01 0.00 0.00 42.46 41.54 1iru s ILE 64 CO 0.00 -0.80 0.08 -1.83 0.00 0.00 0.00 174.94 172.39 1iru s GLU 65 N 1.52 2.44 0.00 2.79 -1.05 -1.26 -4.87 118.70 118.26 1iru s GLU 65 Ca 0.15 -1.34 0.23 0.00 -0.15 0.00 0.00 54.97 53.86 1iru s GLU 65 Cb -0.19 -3.38 0.10 0.00 -0.44 0.00 0.00 34.13 30.22 1iru s GLU 65 CO -0.12 -0.73 1.16 1.63 0.95 0.00 0.00 175.26 178.14 1iru n LYS 66 N 4.70 1.22 -4.36 -4.83 5.02 -1.26 -4.82 118.16 113.83 1iru n LYS 66 Ca -0.11 -0.99 -0.27 0.00 -2.02 0.00 0.00 58.31 54.92 1iru n LYS 66 Cb 0.43 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.80 1iru n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iru s ILE 67 N -2.46 1.32 0.14 -0.18 1.01 -1.26 -0.39 121.20 119.40 1iru s ILE 67 Ca 0.20 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1iru s ILE 67 Cb 0.18 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1iru s ILE 67 CO 0.55 0.41 -0.01 0.68 0.00 0.00 0.00 174.94 176.57 1iru s VAL 68 N 1.07 0.61 -0.10 2.92 -7.23 0.44 -4.97 120.40 113.13 1iru s VAL 68 Ca -0.06 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1iru s VAL 68 Cb -0.15 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1iru s VAL 68 CO -0.02 -0.60 0.50 -0.70 -0.31 0.00 0.00 175.10 173.97 1iru s GLU 69 N -3.91 4.32 -0.21 4.82 2.12 -1.26 -0.36 118.70 124.22 1iru s GLU 69 Ca 0.20 0.50 -0.08 0.00 0.36 0.00 0.00 54.97 55.95 1iru s GLU 69 Cb 0.06 -3.42 -0.19 0.00 0.26 0.00 0.00 34.13 30.84 1iru s GLU 69 CO 0.01 0.20 -0.01 -0.89 -0.54 0.00 0.00 175.26 174.03 1iru n ILE 70 N 3.50 1.59 -3.47 -3.70 2.08 0.43 -4.95 119.36 114.84 1iru n ILE 70 Ca -0.07 -0.45 -0.11 0.00 0.56 0.00 0.00 62.75 62.68 1iru n ILE 70 Cb 0.52 -1.73 -0.02 0.00 -0.75 0.00 0.00 39.64 37.66 1iru n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1iru s ASP 71 N -6.95 -0.47 0.44 4.38 2.15 -0.94 -4.57 116.67 110.71 1iru s ASP 71 Ca -0.31 0.08 0.34 0.00 0.43 0.00 0.00 52.55 53.09 1iru s ASP 71 Cb 0.09 0.48 1.46 0.00 -0.30 0.00 0.00 42.92 44.65 1iru s ASP 71 CO 0.62 -0.75 1.48 0.00 -0.17 0.00 0.00 175.17 176.36 1iru n ALA 72 N -0.16 1.40 -0.37 3.66 0.00 -1.26 0.15 120.51 123.93 1iru n ALA 72 Ca -0.13 0.78 0.11 0.00 0.00 0.00 0.00 53.44 54.20 1iru n ALA 72 Cb 0.62 -1.02 0.31 0.00 0.00 0.00 0.00 19.45 19.36 1iru n ALA 72 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1iru n HIS 73 N -4.44 0.97 -3.71 0.00 1.44 -1.26 -0.77 115.22 107.46 1iru n HIS 73 Ca 0.39 -0.51 -0.13 0.00 -2.01 0.00 0.00 57.72 55.46 1iru n HIS 73 Cb 1.58 -0.02 -0.13 0.00 0.12 0.00 0.00 29.99 31.54 1iru n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1iru s ILE 74 N -1.06 -0.17 0.30 0.61 1.01 0.38 -1.77 121.20 120.51 1iru s ILE 74 Ca 0.47 0.20 0.10 0.00 0.00 0.00 0.00 60.65 61.42 1iru s ILE 74 Cb 0.25 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 1iru s ILE 74 CO 0.31 0.08 -0.05 -0.83 0.00 0.00 0.00 174.94 174.45 1iru s GLY 75 N 1.67 1.87 -0.11 6.18 0.00 0.26 -0.42 107.32 116.76 1iru s GLY 75 Ca -0.06 -1.83 -0.08 0.00 0.00 0.00 0.00 44.72 42.75 1iru s GLY 75 CO -0.08 -1.86 0.28 0.00 0.00 0.00 0.00 173.10 171.44 1iru s ALA 77 N 0.76 2.70 0.35 0.00 0.00 -0.24 -0.42 121.76 124.92 1iru s ALA 77 Ca -0.05 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1iru s ALA 77 Cb -0.06 -0.93 -0.07 0.00 0.00 0.00 0.00 23.12 22.06 1iru s ALA 77 CO -0.05 0.57 0.04 0.00 0.00 0.00 0.00 175.76 176.32 1iru s MET 78 N -1.03 1.76 -0.27 0.00 0.23 0.48 -1.20 119.30 119.27 1iru s MET 78 Ca 0.13 -1.98 -0.25 0.00 -1.03 0.00 0.00 55.69 52.56 1iru s MET 78 Cb -0.11 -1.13 0.08 0.00 -1.53 0.00 0.00 34.83 32.15 1iru s MET 78 CO 0.03 -0.14 0.81 0.45 -2.03 0.00 0.00 175.02 174.13 1iru s SER 79 N -3.56 -0.67 0.00 -1.18 0.15 -1.10 -4.86 113.70 102.49 1iru s SER 79 Ca 0.36 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1iru s SER 79 Cb 0.09 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1iru s SER 79 CO 0.16 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1iru n GLY 80 N 2.52 0.27 3.56 9.45 0.00 -1.26 -2.05 105.19 117.68 1iru n GLY 80 Ca -0.14 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 1iru n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iru s LEU 81 N 0.00 3.08 0.45 0.99 1.43 -0.16 -4.78 118.68 119.70 1iru s LEU 81 Ca 0.00 -0.65 0.20 0.00 -1.03 0.00 0.00 54.13 52.65 1iru s LEU 81 Cb 0.00 -2.56 1.17 0.00 0.03 0.00 0.00 46.19 44.83 1iru s LEU 81 CO 0.00 -3.03 1.90 0.40 0.23 0.00 0.00 176.35 175.85 1iru h ILE 82 N 7.22 0.71 -0.89 -0.59 1.08 -1.89 -1.17 117.51 121.98 1iru h ILE 82 Ca 0.09 -0.10 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 1iru h ILE 82 Cb 1.00 0.39 -0.08 0.00 -3.07 0.00 0.00 36.82 35.06 1iru h ILE 82 CO 1.17 0.05 0.53 0.00 -0.69 0.00 0.00 178.15 179.21 1iru h ALA 83 N 1.63 1.31 -0.61 1.87 0.00 -1.97 -1.79 119.26 119.71 1iru h ALA 83 Ca 0.40 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1iru h ALA 83 Cb 1.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1iru h ALA 83 CO -0.11 0.13 0.23 -0.44 0.00 0.00 0.00 179.25 179.06 1iru h ASP 84 N 0.85 0.85 -0.01 0.00 5.19 -1.59 -2.87 116.42 118.84 1iru h ASP 84 Ca 0.44 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1iru h ASP 84 Cb 0.43 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 1iru h ASP 84 CO -0.26 0.80 0.01 0.00 -3.12 0.00 0.00 179.24 176.67 1iru h ALA 85 N 1.08 1.50 -0.33 3.45 0.00 -1.31 -2.56 119.26 121.10 1iru h ALA 85 Ca 0.20 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1iru h ALA 85 Cb 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1iru h ALA 85 CO -0.01 -0.02 -0.22 1.57 0.00 0.00 0.00 179.25 180.57 1iru h LYS 86 N 0.00 -0.17 0.19 0.00 2.10 -1.31 -0.14 116.57 117.24 1iru h LYS 86 Ca 0.01 0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1iru h LYS 86 Cb 0.03 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1iru h LYS 86 CO -0.00 -0.12 -0.12 1.15 -2.00 0.00 0.00 179.45 178.36 1iru h THR 87 N -0.18 0.74 -0.99 0.07 2.02 -1.63 -2.09 112.91 110.85 1iru h THR 87 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1iru h THR 87 Cb 0.44 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1iru h THR 87 CO -0.43 0.00 0.66 -0.07 0.37 0.00 0.00 175.52 176.04 1iru h LEU 88 N -0.31 1.13 -0.82 2.58 3.38 -1.55 -1.75 115.31 117.97 1iru h LEU 88 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1iru h LEU 88 Cb 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1iru h LEU 88 CO 0.01 0.82 0.54 0.40 0.09 0.00 0.00 178.44 180.31 1iru h ILE 89 N 1.34 1.20 -0.23 1.22 1.08 -0.77 -2.08 117.51 119.28 1iru h ILE 89 Ca 0.36 -0.38 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 1iru h ILE 89 Cb -0.15 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.59 1iru h ILE 89 CO -0.08 0.20 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.74 1iru h ASP 90 N 1.11 0.45 -0.83 1.72 3.58 -0.82 -2.06 116.42 119.56 1iru h ASP 90 Ca 0.31 -0.37 0.15 0.00 0.42 0.00 0.00 57.03 57.54 1iru h ASP 90 Cb -0.11 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 40.75 1iru h ASP 90 CO -0.07 0.72 0.55 0.50 -2.88 0.00 0.00 179.24 178.05 1iru h LYS 91 N 0.18 0.53 -0.02 0.28 3.11 -1.06 0.65 116.57 120.23 1iru h LYS 91 Ca 0.06 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1iru h LYS 91 Cb 0.52 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1iru h LYS 91 CO 0.02 0.35 -0.01 0.00 -2.81 0.00 0.00 179.45 177.00 1iru h ALA 92 N 1.62 0.03 -0.61 5.00 0.00 -1.11 0.72 119.26 124.92 1iru h ALA 92 Ca 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1iru h ALA 92 Cb 0.82 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1iru h ALA 92 CO -0.17 -0.25 0.34 0.00 0.00 0.00 0.00 179.25 179.17 1iru h ARG 93 N -0.34 0.84 -0.82 0.00 3.08 -0.58 -0.58 114.38 115.98 1iru h ARG 93 Ca 0.01 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1iru h ARG 93 Cb 0.42 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1iru h ARG 93 CO 0.00 0.62 0.36 0.28 -1.07 0.00 0.00 179.97 180.16 1iru h VAL 94 N 0.82 1.26 -0.39 2.04 2.07 -0.87 -2.61 116.25 118.57 1iru h VAL 94 Ca 0.21 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1iru h VAL 94 Cb 0.02 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1iru h VAL 94 CO -0.04 0.33 0.16 -0.33 0.02 0.00 0.00 177.57 177.71 1iru h GLU 95 N 1.18 0.58 -0.22 1.57 4.39 -0.25 -1.54 114.58 120.28 1iru h GLU 95 Ca 0.28 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1iru h GLU 95 Cb 0.17 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1iru h GLU 95 CO -0.03 0.54 0.14 1.79 -1.16 0.00 0.00 179.01 180.30 1iru h THR 96 N 0.48 1.06 0.06 1.13 1.35 -0.83 -1.90 112.91 114.26 1iru h THR 96 Ca 0.13 -0.10 -0.24 0.00 -0.55 0.00 0.00 66.41 65.65 1iru h THR 96 Cb 0.18 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1iru h THR 96 CO -0.01 0.05 -1.07 1.56 -0.25 0.00 0.00 175.52 175.80 1iru h GLN 97 N 0.29 0.22 -0.52 4.72 1.08 -1.13 -2.13 115.11 117.64 1iru h GLN 97 Ca 0.08 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 56.89 1iru h GLN 97 Cb -0.03 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1iru h GLN 97 CO -0.02 1.10 0.04 -0.91 -0.95 0.00 0.00 178.83 178.09 1iru h ASN 98 N 0.09 0.81 -0.27 1.46 2.35 -0.67 0.44 115.58 119.79 1iru h ASN 98 Ca -0.08 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 1iru h ASN 98 Cb 1.77 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 1iru h ASN 98 CO 0.17 0.86 -0.11 -0.74 -1.65 0.00 0.00 177.43 175.96 1iru h HIS 99 N 0.80 0.62 -0.56 1.19 2.76 -1.37 -0.83 115.15 117.76 1iru h HIS 99 Ca 0.16 -0.15 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1iru h HIS 99 Cb 0.43 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1iru h HIS 99 CO 0.02 0.78 -0.01 2.35 -1.30 0.00 0.00 177.93 179.77 1iru h TRP 100 N 0.29 1.06 0.51 5.26 7.01 -1.03 0.21 115.95 129.26 1iru h TRP 100 Ca 0.06 -0.18 -0.02 0.00 2.11 0.00 0.00 58.89 60.86 1iru h TRP 100 Cb 0.60 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1iru h TRP 100 CO 0.06 0.95 -0.24 0.35 -2.79 0.00 0.00 178.44 176.77 1iru h PHE 101 N 0.90 -0.63 0.02 2.65 3.57 0.04 0.66 116.94 124.14 1iru h PHE 101 Ca 0.16 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1iru h PHE 101 Cb 0.54 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1iru h PHE 101 CO 0.03 -0.37 -0.01 1.15 -2.23 0.00 0.00 178.31 176.88 1iru h THR 102 N -0.73 1.21 -0.01 4.41 2.02 -1.06 -3.36 112.91 115.38 1iru h THR 102 Ca -0.07 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1iru h THR 102 Cb 0.55 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1iru h THR 102 CO 0.11 0.18 -0.59 -1.22 0.37 0.00 0.00 175.52 174.37 1iru n TYR 103 N -4.96 0.00 -3.55 3.16 4.02 0.73 -5.02 117.16 111.54 1iru n TYR 103 Ca -0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.61 1iru n TYR 103 Cb 0.17 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1iru n TYR 103 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1iru n ASN 104 N -0.59 -5.88 -3.61 7.72 5.15 0.22 -4.99 115.26 113.28 1iru n ASN 104 Ca 0.06 -0.73 -0.05 0.00 -0.60 0.00 0.00 54.58 53.27 1iru n ASN 104 Cb 0.37 -3.32 -0.03 0.00 -0.53 0.00 0.00 39.78 36.26 1iru n ASN 104 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1iru s GLU 105 N -4.78 0.27 0.54 1.20 -1.05 -1.26 -5.06 118.70 108.57 1iru s GLU 105 Ca 0.17 -0.03 -0.16 0.00 -0.15 0.00 0.00 54.97 54.80 1iru s GLU 105 Cb -0.06 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.69 1iru s GLU 105 CO 0.84 -0.10 1.02 0.95 0.95 0.00 0.00 175.26 178.91 1iru s THR 106 N -1.76 4.23 0.02 1.83 -4.23 -1.26 -4.02 115.64 110.45 1iru s THR 106 Ca 0.07 1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 61.45 1iru s THR 106 Cb -0.01 -3.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.19 1iru s THR 106 CO -0.05 -0.60 0.61 -0.32 -0.54 0.00 0.00 174.62 173.72 1iru s MET 107 N -4.05 4.32 0.87 3.99 1.75 -1.26 -5.02 119.30 119.91 1iru s MET 107 Ca 0.61 0.78 -0.11 0.00 -1.25 0.00 0.00 55.69 55.73 1iru s MET 107 Cb -0.12 -3.32 0.12 0.00 2.84 0.00 0.00 34.83 34.34 1iru s MET 107 CO 0.33 0.42 1.14 0.95 -0.65 0.00 0.00 175.02 177.21 1iru s THR 108 N -0.37 2.33 0.32 10.11 -4.23 -1.26 -4.84 115.64 117.69 1iru s THR 108 Ca 0.32 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 61.00 1iru s THR 108 Cb -0.19 -2.27 0.09 0.00 1.34 0.00 0.00 72.50 71.48 1iru s THR 108 CO 0.18 -0.14 1.79 0.58 -0.54 0.00 0.00 174.62 176.50 1iru h VAL 109 N -1.60 1.25 -0.19 2.29 2.07 -1.95 -2.33 116.25 115.80 1iru h VAL 109 Ca -0.43 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 1iru h VAL 109 Cb 1.26 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1iru h VAL 109 CO 0.44 0.36 -0.11 -0.08 0.02 0.00 0.00 177.57 178.20 1iru h GLU 110 N 0.30 0.41 -0.68 1.57 4.81 -1.98 -2.39 114.58 116.62 1iru h GLU 110 Ca 0.05 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1iru h GLU 110 Cb 0.60 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1iru h GLU 110 CO 0.04 0.73 0.33 0.77 -0.73 0.00 0.00 179.01 180.15 1iru h SER 111 N 0.10 0.87 0.05 1.04 0.02 -1.88 -1.10 113.55 112.65 1iru h SER 111 Ca 0.04 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1iru h SER 111 Cb 0.61 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1iru h SER 111 CO 0.03 0.73 -0.03 0.58 -1.14 0.00 0.00 176.83 177.01 1iru h VAL 112 N 0.97 1.05 -0.69 2.27 2.07 -1.38 0.53 116.25 121.07 1iru h VAL 112 Ca 0.24 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1iru h VAL 112 Cb 0.09 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1iru h VAL 112 CO -0.03 0.09 0.36 0.74 0.02 0.00 0.00 177.57 178.75 1iru h THR 113 N -0.23 0.91 -0.33 2.57 2.02 -1.16 -1.68 112.91 115.00 1iru h THR 113 Ca -0.01 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1iru h THR 113 Cb 0.20 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1iru h THR 113 CO 0.01 0.12 0.19 -0.61 0.37 0.00 0.00 175.52 175.60 1iru h GLN 114 N 0.65 0.45 -0.53 6.66 4.15 -0.95 -0.11 115.11 125.43 1iru h GLN 114 Ca 0.32 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.77 1iru h GLN 114 Cb 0.27 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 1iru h GLN 114 CO -0.22 0.37 0.18 0.00 -1.93 0.00 0.00 178.83 177.23 1iru h ALA 115 N 1.06 0.66 -0.57 3.38 0.00 -0.12 0.24 119.26 123.91 1iru h ALA 115 Ca 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 115 Cb 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1iru h ALA 115 CO -0.02 -0.22 0.08 0.28 0.00 0.00 0.00 179.25 179.37 1iru h VAL 116 N 0.36 1.25 0.00 0.00 2.07 -0.93 -2.75 116.25 116.24 1iru h VAL 116 Ca 0.26 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1iru h VAL 116 Cb 0.30 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1iru h VAL 116 CO -0.28 0.35 -0.01 0.28 0.02 0.00 0.00 177.57 177.93 1iru h SER 117 N 0.87 0.00 0.78 0.57 0.02 0.94 -2.44 113.55 114.29 1iru h SER 117 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1iru h SER 117 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1iru h SER 117 CO 0.01 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.31 1iru n ASN 118 N -3.19 0.48 -0.44 3.07 3.02 -0.80 -0.65 115.26 116.75 1iru n ASN 118 Ca -0.02 0.60 0.07 0.00 -0.03 0.00 0.00 54.58 55.21 1iru n ASN 118 Cb 0.16 -0.71 0.27 0.00 -0.61 0.00 0.00 39.78 38.88 1iru n ASN 118 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1iru n LEU 119 N -2.02 1.31 0.00 3.41 4.77 -0.92 -4.64 117.00 118.92 1iru n LEU 119 Ca 0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1iru n LEU 119 Cb 0.25 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1iru n LEU 119 CO 0.20 0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.56 1iru n ALA 120 N 0.14 0.00 -1.32 -1.18 0.00 0.18 -2.87 120.51 115.46 1iru n ALA 120 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1iru n ALA 120 Cb 0.24 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.78 1iru n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iru n LEU 121 N 0.00 7.54 -2.31 0.00 4.77 -1.26 -4.74 117.00 121.00 1iru n LEU 121 Ca 0.00 -4.20 -0.20 0.00 -0.03 0.00 0.00 56.01 51.59 1iru n LEU 121 Cb 0.00 -0.95 -0.12 0.00 -2.33 0.00 0.00 43.42 40.02 1iru n LEU 121 CO 0.00 1.42 1.80 0.00 -1.33 0.00 0.00 177.39 179.28 1iru n GLN 122 N -0.95 2.37 -4.21 3.23 1.13 -1.14 -4.85 117.38 112.96 1iru n GLN 122 Ca 0.62 -1.57 -0.17 0.00 -1.94 0.00 0.00 57.00 53.94 1iru n GLN 122 Cb 0.81 -2.14 -0.11 0.00 0.11 0.00 0.00 30.24 28.91 1iru n GLN 122 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1iru s PHE 123 N 0.28 1.28 0.00 1.08 -0.12 -1.26 -4.28 117.98 114.96 1iru s PHE 123 Ca 0.65 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1iru s PHE 123 Cb 0.32 -0.69 0.00 0.00 -0.63 0.00 0.00 43.02 42.02 1iru s PHE 123 CO -0.07 0.09 0.00 0.41 -0.05 0.00 0.00 175.22 175.60 1iru n GLY 124 N 0.71 1.13 0.00 1.99 0.00 -1.14 -4.94 105.19 102.96 1iru n GLY 124 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1iru n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iru n GLU 125 N -0.45 0.00 -0.84 1.61 1.02 -1.26 -4.60 120.64 116.12 1iru n GLU 125 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1iru n GLU 125 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 1iru n GLU 125 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iru n GLU 126 N 0.00 -0.37 -2.51 3.49 4.71 -1.26 -2.65 120.64 122.05 1iru n GLU 126 Ca 0.00 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.16 56.94 1iru n GLU 126 Cb 0.00 -1.59 -0.00 0.00 -1.01 0.00 0.00 31.44 28.84 1iru n GLU 126 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1iru n ASP 127 N 0.03 -3.85 -4.43 1.62 8.00 -1.26 -4.95 116.55 111.71 1iru n ASP 127 Ca 0.03 0.16 -0.24 0.00 0.71 0.00 0.00 54.79 55.46 1iru n ASP 127 Cb 0.56 -3.27 -0.10 0.00 -0.02 0.00 0.00 41.12 38.29 1iru n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iru s ALA 128 N -2.63 2.56 1.19 2.24 0.00 -1.08 -5.14 121.76 118.89 1iru s ALA 128 Ca 0.03 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.02 1iru s ALA 128 Cb -0.02 -0.25 0.28 0.00 0.00 0.00 0.00 23.12 23.14 1iru s ALA 128 CO 0.04 0.28 1.11 -0.51 0.00 0.00 0.00 175.76 176.68 1iru s ASP 129 N -3.26 1.03 -0.04 0.00 1.01 -1.26 -4.99 116.67 109.16 1iru s ASP 129 Ca 0.26 0.64 -0.21 0.00 0.71 0.00 0.00 52.55 53.95 1iru s ASP 129 Cb -0.05 -0.89 -0.30 0.00 1.01 0.00 0.00 42.92 42.68 1iru s ASP 129 CO 0.12 -4.06 0.93 1.55 0.21 0.00 0.00 175.17 173.93 1iru h PRO 130 N -2.54 0.32 -2.22 8.23 0.13 -2.01 -3.32 132.00 130.60 1iru h PRO 130 Ca -0.45 -0.51 -0.50 0.00 -0.87 0.00 0.00 66.00 63.67 1iru h PRO 130 Cb 1.29 0.19 -0.12 0.00 0.13 0.00 0.00 31.00 32.49 1iru h PRO 130 CO 0.35 1.23 0.97 0.41 -0.23 0.00 0.00 178.00 180.73 1iru n GLY 131 N 1.57 4.21 3.53 1.56 0.00 -1.26 -4.89 105.19 109.91 1iru n GLY 131 Ca -0.13 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1iru n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 132 N -0.61 2.81 0.73 4.61 0.00 -1.25 -5.10 121.76 122.96 1iru s ALA 132 Ca 0.61 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1iru s ALA 132 Cb 0.31 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.44 1iru s ALA 132 CO -0.13 0.58 1.24 -1.33 0.00 0.00 0.00 175.76 176.12 1iru n MET 133 N 1.96 0.63 0.00 0.00 2.81 -1.26 -4.93 117.12 116.32 1iru n MET 133 Ca -0.17 0.28 0.01 0.00 -1.81 0.00 0.00 57.70 56.02 1iru n MET 133 Cb 0.52 -2.48 0.01 0.00 -0.71 0.00 0.00 33.22 30.56 1iru n MET 133 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1iru n SER 134 N -2.61 0.99 -3.50 7.83 3.41 -1.26 -2.86 113.62 115.62 1iru n SER 134 Ca 0.15 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.67 1iru n SER 134 Cb 0.49 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 1iru n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iru s ARG 135 N -0.36 0.86 1.22 4.33 1.70 -1.26 -4.65 118.95 120.80 1iru s ARG 135 Ca 0.02 -0.27 -0.18 0.00 -0.47 0.00 0.00 55.73 54.84 1iru s ARG 135 Cb 0.02 0.40 0.29 0.00 -0.57 0.00 0.00 34.95 35.09 1iru s ARG 135 CO 0.04 -0.37 1.05 -2.14 -1.08 0.00 0.00 175.30 172.79 1iru s PRO 136 N -2.98 -1.32 -0.15 3.89 0.02 -1.26 -4.88 135.00 128.32 1iru s PRO 136 Ca 0.03 0.24 -0.13 0.00 0.02 0.00 0.00 61.00 61.17 1iru s PRO 136 Cb -0.01 -1.56 -0.05 0.00 0.02 0.00 0.00 34.50 32.91 1iru s PRO 136 CO -0.08 -3.84 0.28 -0.06 -0.33 0.00 0.00 177.00 172.97 1iru s PHE 137 N -2.72 3.48 -1.35 6.54 0.40 -1.26 -4.98 117.98 118.08 1iru s PHE 137 Ca 0.69 0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 57.52 1iru s PHE 137 Cb -0.15 -2.31 0.11 0.00 0.51 0.00 0.00 43.02 41.18 1iru s PHE 137 CO 0.58 0.29 2.13 0.41 0.70 0.00 0.00 175.22 179.33 1iru n GLY 138 N 3.24 4.76 3.02 4.36 0.00 -1.26 -4.64 105.19 114.68 1iru n GLY 138 Ca -0.13 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1iru n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 139 N 0.72 0.26 0.00 1.61 1.01 -1.26 -0.99 120.40 121.75 1iru s VAL 139 Ca 0.46 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1iru s VAL 139 Cb 0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1iru s VAL 139 CO -0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 175.10 174.32 1iru s ALA 140 N -1.89 1.57 0.10 5.51 0.00 -0.87 -3.33 121.76 122.84 1iru s ALA 140 Ca -0.10 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1iru s ALA 140 Cb -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1iru s ALA 140 CO -0.02 0.37 -0.10 -0.51 0.00 0.00 0.00 175.76 175.50 1iru s LEU 141 N -0.67 2.41 -0.19 0.00 1.43 0.80 -2.70 118.68 119.74 1iru s LEU 141 Ca 0.07 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1iru s LEU 141 Cb -0.08 -0.31 0.05 0.00 0.03 0.00 0.00 46.19 45.89 1iru s LEU 141 CO 0.00 -0.26 -0.01 -0.76 0.23 0.00 0.00 176.35 175.55 1iru s LEU 142 N -2.46 1.65 -0.34 1.79 1.43 -0.34 -1.61 118.68 118.81 1iru s LEU 142 Ca 0.06 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 1iru s LEU 142 Cb -0.03 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1iru s LEU 142 CO 0.00 -0.25 0.31 -0.36 0.23 0.00 0.00 176.35 176.28 1iru s PHE 143 N 1.68 3.22 -0.07 0.29 0.40 0.34 -1.07 117.98 122.76 1iru s PHE 143 Ca -0.02 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 1iru s PHE 143 Cb -0.17 -2.58 -0.02 0.00 0.51 0.00 0.00 43.02 40.77 1iru s PHE 143 CO -0.07 -0.38 -0.20 0.20 0.70 0.00 0.00 175.22 175.46 1iru s GLY 144 N 1.73 1.40 0.03 4.36 0.00 0.11 -1.08 107.32 113.87 1iru s GLY 144 Ca 0.10 -1.00 -0.15 0.00 0.00 0.00 0.00 44.72 43.66 1iru s GLY 144 CO 0.11 -0.59 0.71 0.61 0.00 0.00 0.00 173.10 173.95 1iru n GLY 145 N 2.91 0.56 2.97 0.20 0.00 -0.47 0.92 105.19 112.28 1iru n GLY 145 Ca -0.17 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 1iru n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 146 N -2.14 0.69 0.02 1.61 1.01 -0.73 0.29 120.40 121.15 1iru s VAL 146 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1iru s VAL 146 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1iru s VAL 146 CO 0.01 0.23 0.02 -0.90 0.00 0.00 0.00 175.10 174.46 1iru n ASP 147 N 3.46 -0.06 -0.08 3.32 5.68 -0.82 -4.86 116.55 123.19 1iru n ASP 147 Ca -0.20 -1.09 0.23 0.00 -0.50 0.00 0.00 54.79 53.24 1iru n ASP 147 Cb 0.54 0.11 0.48 0.00 -1.14 0.00 0.00 41.12 41.11 1iru n ASP 147 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1iru h GLU 148 N 0.00 0.00 -0.63 0.11 4.11 -1.97 0.95 114.58 117.14 1iru h GLU 148 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1iru h GLU 148 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1iru h GLU 148 CO 0.02 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.73 1iru n LYS 149 N -3.26 4.25 0.00 1.06 5.02 -1.26 -5.06 118.16 118.91 1iru n LYS 149 Ca 0.17 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1iru n LYS 149 Cb 1.24 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1iru n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iru n GLY 150 N 0.79 -1.85 3.77 0.72 0.00 0.33 -4.89 105.19 104.06 1iru n GLY 150 Ca 0.25 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1iru n GLY 150 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iru s PRO 151 N 0.00 3.91 -0.07 1.61 0.02 -1.26 -1.94 135.00 137.26 1iru s PRO 151 Ca 0.00 1.78 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 1iru s PRO 151 Cb 0.00 -2.53 0.03 0.00 0.02 0.00 0.00 34.50 32.03 1iru s PRO 151 CO 0.00 -0.43 0.37 -0.65 -0.33 0.00 0.00 177.00 175.96 1iru s GLN 152 N -2.52 0.60 -0.06 5.54 -0.21 0.15 -4.93 119.66 118.24 1iru s GLN 152 Ca 0.60 0.15 0.03 0.00 0.02 0.00 0.00 55.36 56.16 1iru s GLN 152 Cb -0.29 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.01 1iru s GLN 152 CO 0.36 -0.14 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.08 1iru s LEU 153 N -0.67 1.77 0.02 2.90 2.96 -1.26 -1.37 118.68 123.04 1iru s LEU 153 Ca -0.08 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1iru s LEU 153 Cb -0.04 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 1iru s LEU 153 CO 0.03 0.08 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.66 1iru s PHE 154 N 0.41 1.10 0.01 5.38 0.40 -0.24 -1.21 117.98 123.83 1iru s PHE 154 Ca -0.11 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 1iru s PHE 154 Cb -0.14 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1iru s PHE 154 CO 0.03 0.01 -0.16 -1.58 0.70 0.00 0.00 175.22 174.22 1iru s HIS 155 N -0.65 2.64 -0.12 0.36 5.65 -0.04 -0.50 115.29 122.63 1iru s HIS 155 Ca 0.02 -0.21 -0.07 0.00 0.25 0.00 0.00 55.06 55.06 1iru s HIS 155 Cb -0.07 -1.53 0.05 0.00 -1.18 0.00 0.00 32.58 29.85 1iru s HIS 155 CO 0.01 0.24 0.28 1.41 -0.65 0.00 0.00 174.74 176.03 1iru s MET 156 N -1.21 0.26 0.31 2.88 0.00 -0.63 -1.41 119.30 119.50 1iru s MET 156 Ca 0.14 0.55 0.02 0.00 0.00 0.00 0.00 55.69 56.40 1iru s MET 156 Cb -0.11 -0.05 0.02 0.00 0.00 0.00 0.00 34.83 34.69 1iru s MET 156 CO 0.04 -0.14 0.15 -0.40 0.00 0.00 0.00 175.02 174.67 1iru n ASP 157 N 3.99 2.32 0.30 1.11 3.85 -1.10 -0.14 116.55 126.88 1iru n ASP 157 Ca -0.23 -2.18 0.19 0.00 -0.71 0.00 0.00 54.79 51.86 1iru n ASP 157 Cb 0.54 0.06 0.96 0.00 -1.35 0.00 0.00 41.12 41.33 1iru n ASP 157 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 1iru h PRO 158 N 0.00 0.00 0.00 0.11 0.11 -1.81 -2.73 132.00 127.68 1iru h PRO 158 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1iru h PRO 158 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1iru h PRO 158 CO 0.35 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.04 1iru n SER 159 N -3.24 0.31 0.00 -2.05 3.41 -1.26 -4.70 113.62 106.08 1iru n SER 159 Ca -0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1iru n SER 159 Cb 0.17 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1iru n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iru n GLY 160 N -0.37 0.81 3.77 5.00 0.00 -1.03 -4.74 105.19 108.63 1iru n GLY 160 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1iru n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iru s THR 161 N -2.39 3.69 0.00 2.61 2.01 -1.26 -4.83 115.64 115.48 1iru s THR 161 Ca 0.00 1.50 -0.11 0.00 0.31 0.00 0.00 61.69 63.40 1iru s THR 161 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1iru s THR 161 CO 0.00 0.21 0.22 0.72 -0.69 0.00 0.00 174.62 175.08 1iru s PHE 162 N -1.41 -0.05 0.24 4.92 -0.12 -1.26 -2.71 117.98 117.60 1iru s PHE 162 Ca 0.50 0.00 -0.16 0.00 -0.05 0.00 0.00 56.93 57.22 1iru s PHE 162 Cb -0.26 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.15 1iru s PHE 162 CO 0.33 -0.36 0.55 0.54 -0.05 0.00 0.00 175.22 176.24 1iru s VAL 163 N -1.57 0.01 0.12 -2.49 0.11 -0.50 -4.97 120.40 111.10 1iru s VAL 163 Ca -0.13 -1.13 -0.06 0.00 -2.93 0.00 0.00 61.98 57.73 1iru s VAL 163 Cb -0.06 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.77 1iru s VAL 163 CO 0.02 -0.04 0.38 -1.58 -3.33 0.00 0.00 175.10 170.54 1iru s GLN 164 N -3.95 3.66 0.01 1.54 0.74 -1.26 -0.86 119.66 119.54 1iru s GLN 164 Ca 0.16 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.56 1iru s GLN 164 Cb -0.02 -2.90 -0.01 0.00 1.10 0.00 0.00 33.01 31.18 1iru s GLN 164 CO 0.05 0.50 -0.02 0.00 -0.55 0.00 0.00 175.29 175.28 1iru h ASP 166 N 5.57 0.68 -4.38 0.00 3.32 -1.91 -3.38 116.42 116.32 1iru h ASP 166 Ca -0.27 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.33 1iru h ASP 166 Cb 1.21 -0.19 -0.21 0.00 0.22 0.00 0.00 39.33 40.35 1iru h ASP 166 CO 0.47 1.09 -0.06 0.00 -1.72 0.00 0.00 179.24 179.02 1iru s ALA 167 N -4.03 -1.31 -0.02 3.45 0.00 -1.26 0.12 121.76 118.71 1iru s ALA 167 Ca -0.08 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 1iru s ALA 167 Cb 0.11 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1iru s ALA 167 CO 0.85 -0.28 0.49 0.50 0.00 0.00 0.00 175.76 177.31 1iru s ARG 168 N -0.37 0.88 0.00 0.00 6.06 0.40 -4.99 118.95 120.94 1iru s ARG 168 Ca -0.05 -0.04 0.03 0.00 -2.50 0.00 0.00 55.73 53.17 1iru s ARG 168 Cb -0.03 0.41 -0.01 0.00 0.06 0.00 0.00 34.95 35.37 1iru s ARG 168 CO 0.03 -0.27 -0.11 0.00 -2.50 0.00 0.00 175.30 172.45 1iru s ALA 169 N -1.51 0.90 0.11 6.12 0.00 -1.26 -0.58 121.76 125.54 1iru s ALA 169 Ca -0.11 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1iru s ALA 169 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1iru s ALA 169 CO 0.05 0.20 -0.09 0.96 0.00 0.00 0.00 175.76 176.88 1iru s ILE 170 N -0.41 0.92 0.00 0.00 -4.36 -0.23 -4.81 121.20 112.30 1iru s ILE 170 Ca 0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1iru s ILE 170 Cb -0.05 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 42.10 1iru s ILE 170 CO -0.00 -0.70 0.00 0.61 0.24 0.00 0.00 174.94 175.09 1iru n GLY 171 N 0.20 -0.45 0.19 6.27 0.00 -1.26 -0.31 105.19 109.84 1iru n GLY 171 Ca -0.13 -2.24 -0.06 0.00 0.00 0.00 0.00 46.02 43.59 1iru n GLY 171 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iru h SER 172 N 0.00 0.43 -0.12 1.61 4.64 -1.48 -2.29 113.55 116.35 1iru h SER 172 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1iru h SER 172 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1iru h SER 172 CO 0.00 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 1iru n ALA 173 N -2.27 2.52 -0.40 5.18 0.00 -1.26 -4.48 120.51 119.79 1iru n ALA 173 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1iru n ALA 173 Cb 0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 1iru n ALA 173 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iru n SER 174 N -0.17 -0.97 -0.07 0.00 2.88 -0.86 -0.37 113.62 114.06 1iru n SER 174 Ca 0.09 1.72 -0.09 0.00 -1.33 0.00 0.00 58.87 59.26 1iru n SER 174 Cb 0.15 -0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 63.34 1iru n SER 174 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1iru h GLU 175 N 0.00 -0.29 0.70 -1.46 5.08 -1.84 0.12 114.58 116.90 1iru h GLU 175 Ca 0.18 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1iru h GLU 175 Cb 0.42 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1iru h GLU 175 CO -0.92 -0.19 -0.34 0.78 -1.00 0.00 0.00 179.01 177.34 1iru h GLY 176 N -0.30 -0.99 -0.41 -3.84 0.00 -1.66 -2.70 103.07 93.18 1iru h GLY 176 Ca 0.14 0.37 0.22 0.00 0.00 0.00 0.00 47.33 48.06 1iru h GLY 176 CO -0.46 -0.36 0.22 0.00 0.00 0.00 0.00 176.54 175.94 1iru h ALA 177 N -0.72 1.22 -0.21 3.60 0.00 -0.37 0.21 119.26 122.98 1iru h ALA 177 Ca -0.10 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1iru h ALA 177 Cb 0.74 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1iru h ALA 177 CO 0.16 -0.45 -0.22 0.37 0.00 0.00 0.00 179.25 179.11 1iru h GLN 178 N 0.21 0.38 -0.31 0.00 5.75 -0.70 -0.75 115.11 119.70 1iru h GLN 178 Ca 0.53 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.89 1iru h GLN 178 Cb 1.05 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1iru h GLN 178 CO -0.64 0.59 0.15 1.03 -2.65 0.00 0.00 178.83 177.30 1iru h SER 179 N 0.35 0.40 -0.37 -0.69 0.87 -0.27 -0.81 113.55 113.02 1iru h SER 179 Ca 0.06 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1iru h SER 179 Cb 0.58 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1iru h SER 179 CO 0.04 0.41 0.16 0.28 -0.53 0.00 0.00 176.83 177.18 1iru h SER 180 N 0.36 0.51 -0.63 6.23 0.02 -1.08 -2.47 113.55 116.50 1iru h SER 180 Ca 0.11 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1iru h SER 180 Cb 0.11 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1iru h SER 180 CO -0.01 0.53 0.41 -0.07 -1.14 0.00 0.00 176.83 176.55 1iru h LEU 181 N 0.46 0.62 -0.98 5.07 3.38 -0.84 -0.54 115.31 122.49 1iru h LEU 181 Ca 0.13 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1iru h LEU 181 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1iru h LEU 181 CO -0.01 0.42 -0.38 1.56 0.09 0.00 0.00 178.44 180.12 1iru h GLN 182 N 0.72 0.25 -0.15 1.13 4.20 -0.77 -0.55 115.11 119.93 1iru h GLN 182 Ca 0.25 -0.11 -0.19 0.00 0.06 0.00 0.00 58.65 58.66 1iru h GLN 182 Cb 0.11 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1iru h GLN 182 CO -0.07 0.60 -0.69 0.93 -0.67 0.00 0.00 178.83 178.93 1iru h GLU 183 N 0.21 0.62 0.00 1.46 5.08 -0.71 -3.36 114.58 117.88 1iru h GLU 183 Ca 0.02 -0.46 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 1iru h GLU 183 Cb 0.78 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1iru h GLU 183 CO 0.06 1.09 -1.56 1.28 -1.00 0.00 0.00 179.01 178.88 1iru n LEU 184 N -3.91 0.70 -4.78 1.33 4.32 -0.43 -4.98 117.00 109.25 1iru n LEU 184 Ca -0.05 0.31 -0.41 0.00 -0.02 0.00 0.00 56.01 55.84 1iru n LEU 184 Cb 0.69 0.11 -0.01 0.00 -1.62 0.00 0.00 43.42 42.59 1iru n LEU 184 CO 0.50 0.16 1.09 -0.47 -1.22 0.00 0.00 177.39 177.45 1iru s TYR 185 N -2.94 2.74 -0.05 -1.77 5.04 -0.23 -5.02 117.35 115.12 1iru s TYR 185 Ca -0.04 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 55.85 1iru s TYR 185 Cb 0.09 -3.91 0.02 0.00 0.35 0.00 0.00 41.96 38.50 1iru s TYR 185 CO 0.82 -2.63 -0.09 -1.01 -1.34 0.00 0.00 175.55 171.31 1iru s HIS 186 N -1.12 1.13 -0.21 4.97 3.76 -1.26 -5.00 115.29 117.56 1iru s HIS 186 Ca 0.52 -0.38 0.22 0.00 -0.15 0.00 0.00 55.06 55.26 1iru s HIS 186 Cb -0.44 -0.88 1.17 0.00 1.11 0.00 0.00 32.58 33.54 1iru s HIS 186 CO 0.60 -0.23 1.66 0.36 -0.85 0.00 0.00 174.74 176.28 1iru n LYS 187 N 3.91 0.14 -0.05 1.40 0.00 -1.26 -1.75 118.16 120.54 1iru n LYS 187 Ca -0.24 0.63 0.02 0.00 -0.00 0.00 0.00 58.31 58.72 1iru n LYS 187 Cb 0.51 -1.96 0.05 0.00 -0.00 0.00 0.00 35.03 33.63 1iru n LYS 187 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1iru n SER 188 N -2.26 2.16 -3.12 -5.58 3.41 -1.26 -4.86 113.62 102.11 1iru n SER 188 Ca -0.01 -1.87 -0.18 0.00 -0.26 0.00 0.00 58.87 56.55 1iru n SER 188 Cb 0.04 -0.07 0.16 0.00 -0.26 0.00 0.00 64.21 64.08 1iru n SER 188 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1iru n MET 189 N -0.09 -2.88 -4.40 4.33 3.85 -0.72 -5.03 117.12 112.18 1iru n MET 189 Ca 0.04 -0.95 -0.20 0.00 -1.00 0.00 0.00 57.70 55.59 1iru n MET 189 Cb 0.28 -1.02 -0.10 0.00 -1.05 0.00 0.00 33.22 31.32 1iru n MET 189 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1iru s THR 190 N -1.94 1.65 0.60 3.17 -4.23 -1.26 -4.62 115.64 109.01 1iru s THR 190 Ca 0.40 -2.15 0.30 0.00 -1.18 0.00 0.00 61.69 59.06 1iru s THR 190 Cb -0.05 -2.31 0.36 0.00 1.34 0.00 0.00 72.50 71.84 1iru s THR 190 CO 0.32 -0.40 2.21 0.25 -0.54 0.00 0.00 174.62 176.46 1iru h LEU 191 N 2.38 0.00 0.03 4.79 5.85 -1.89 0.79 115.31 127.27 1iru h LEU 191 Ca -0.39 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1iru h LEU 191 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1iru h LEU 191 CO 0.65 0.00 -0.01 0.11 -0.34 0.00 0.00 178.44 178.85 1iru h LYS 192 N 0.00 -0.04 -0.47 1.25 6.56 -1.98 -2.66 116.57 119.23 1iru h LYS 192 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1iru h LYS 192 Cb 0.17 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 1iru h LYS 192 CO -0.00 0.63 0.31 0.93 -2.06 0.00 0.00 179.45 179.25 1iru h GLU 193 N -0.78 0.62 -0.12 3.15 5.08 -1.57 -2.86 114.58 118.10 1iru h GLU 193 Ca -0.00 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1iru h GLU 193 Cb 0.68 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1iru h GLU 193 CO 0.01 0.41 -0.30 0.00 -1.00 0.00 0.00 179.01 178.13 1iru h ALA 194 N 1.17 -0.34 -0.85 3.43 0.00 0.47 -1.24 119.26 121.88 1iru h ALA 194 Ca 0.17 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1iru h ALA 194 Cb -0.07 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1iru h ALA 194 CO -0.04 -0.78 0.56 0.82 0.00 0.00 0.00 179.25 179.82 1iru h ILE 195 N -0.38 1.11 0.07 0.00 2.04 -1.37 -1.49 117.51 117.50 1iru h ILE 195 Ca 0.09 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1iru h ILE 195 Cb 0.53 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1iru h ILE 195 CO -0.33 0.19 -0.04 0.50 0.00 0.00 0.00 178.15 178.47 1iru h LYS 196 N 1.03 -0.10 -0.09 2.37 3.64 -1.16 -2.36 116.57 119.91 1iru h LYS 196 Ca 0.35 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 1iru h LYS 196 Cb 0.09 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1iru h LYS 196 CO -0.11 0.05 -0.22 0.77 -2.27 0.00 0.00 179.45 177.67 1iru h SER 197 N -0.23 -0.67 -0.68 4.20 0.02 -0.76 0.68 113.55 116.12 1iru h SER 197 Ca -0.01 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1iru h SER 197 Cb 0.19 0.29 -0.13 0.00 0.14 0.00 0.00 62.40 62.90 1iru h SER 197 CO 0.02 -0.28 -0.31 0.28 -1.14 0.00 0.00 176.83 175.40 1iru h SER 198 N -0.30 -1.11 -0.11 3.07 0.02 -1.13 0.17 113.55 114.16 1iru h SER 198 Ca 0.09 0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1iru h SER 198 Cb 0.43 0.58 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1iru h SER 198 CO -0.26 -0.29 -0.32 -0.07 -1.14 0.00 0.00 176.83 174.75 1iru h LEU 199 N -0.11 0.62 -0.20 5.07 3.38 -0.99 0.18 115.31 123.25 1iru h LEU 199 Ca 0.27 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1iru h LEU 199 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1iru h LEU 199 CO -0.74 0.90 0.12 0.40 0.09 0.00 0.00 178.44 179.21 1iru h ILE 200 N 0.51 1.02 -0.14 1.22 2.04 0.13 0.24 117.51 122.54 1iru h ILE 200 Ca 0.06 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1iru h ILE 200 Cb 0.80 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1iru h ILE 200 CO 0.07 0.04 -0.37 0.40 0.00 0.00 0.00 178.15 178.29 1iru h ILE 201 N 0.25 1.36 -0.80 -0.67 2.04 -0.70 -2.69 117.51 116.29 1iru h ILE 201 Ca 0.08 -1.65 0.04 0.00 1.00 0.00 0.00 64.86 64.32 1iru h ILE 201 Cb -0.01 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1iru h ILE 201 CO -0.04 0.50 0.50 0.25 0.00 0.00 0.00 178.15 179.36 1iru h LEU 202 N 0.11 0.82 -0.61 1.44 5.85 -0.52 -1.65 115.31 120.75 1iru h LEU 202 Ca -0.01 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1iru h LEU 202 Cb 0.98 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1iru h LEU 202 CO 0.08 0.56 0.34 0.50 -0.34 0.00 0.00 178.44 179.58 1iru h LYS 203 N 0.97 0.63 0.00 1.25 3.64 -0.46 -1.79 116.57 120.81 1iru h LYS 203 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1iru h LYS 203 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1iru h LYS 203 CO -0.13 0.42 0.00 1.04 -2.27 0.00 0.00 179.45 178.51 1iru n GLN 204 N -4.79 0.00 -0.03 1.90 6.02 -0.66 -3.37 117.38 116.44 1iru n GLN 204 Ca 0.06 0.60 0.20 0.00 -0.01 0.00 0.00 57.00 57.86 1iru n GLN 204 Cb 0.13 -1.49 0.67 0.00 1.02 0.00 0.00 30.24 30.57 1iru n GLN 204 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1iru h VAL 205 N 0.00 0.73 -3.91 5.09 -1.51 -1.43 -3.43 116.25 111.79 1iru h VAL 205 Ca 0.00 -0.02 -0.53 0.00 -1.23 0.00 0.00 66.70 64.92 1iru h VAL 205 Cb 0.00 0.68 0.09 0.00 -2.13 0.00 0.00 31.29 29.93 1iru h VAL 205 CO 0.00 0.01 0.72 -0.04 -1.23 0.00 0.00 177.57 177.03 1iru s MET 206 N -5.06 4.22 0.36 5.19 -1.94 -0.68 -4.89 119.30 116.50 1iru s MET 206 Ca -0.05 2.41 0.19 0.00 -1.71 0.00 0.00 55.69 56.53 1iru s MET 206 Cb 0.20 -3.01 0.37 0.00 2.01 0.00 0.00 34.83 34.39 1iru s MET 206 CO 0.74 -0.38 1.59 1.49 -0.01 0.00 0.00 175.02 178.44 1iru h GLU 207 N 3.19 0.00 -6.18 2.03 4.81 -1.89 -3.45 114.58 113.10 1iru h GLU 207 Ca -0.50 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.24 1iru h GLU 207 Cb 1.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1iru h GLU 207 CO 0.65 0.33 -0.48 -1.21 -0.73 0.00 0.00 179.01 177.56 1iru s GLU 208 N -3.21 3.19 0.02 1.92 2.02 -1.26 -5.06 118.70 116.32 1iru s GLU 208 Ca 0.04 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 1iru s GLU 208 Cb 0.08 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 1iru s GLU 208 CO 0.70 0.43 1.37 0.15 0.02 0.00 0.00 175.26 177.93 1iru s LYS 209 N -3.82 4.30 -0.44 1.61 3.01 -1.26 -4.90 119.74 118.24 1iru s LYS 209 Ca 0.33 1.96 -0.31 0.00 -1.01 0.00 0.00 55.97 56.94 1iru s LYS 209 Cb -0.09 -3.50 -0.11 0.00 -1.01 0.00 0.00 37.83 33.13 1iru s LYS 209 CO 0.27 -0.52 2.32 -0.11 0.51 0.00 0.00 175.35 177.81 1iru n LEU 210 N 5.01 2.11 -4.99 3.17 7.94 -1.26 -4.96 117.00 124.03 1iru n LEU 210 Ca 0.12 0.12 -0.18 0.00 -1.11 0.00 0.00 56.01 54.97 1iru n LEU 210 Cb 0.44 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1iru n LEU 210 CO 0.58 -0.93 0.12 0.20 -1.11 0.00 0.00 177.39 176.25 1iru s ASN 211 N 8.89 5.58 0.00 1.96 0.02 -1.26 -4.98 114.94 125.16 1iru s ASN 211 Ca 1.09 -0.45 0.28 0.00 -1.02 0.00 0.00 52.86 52.76 1iru s ASN 211 Cb -0.66 -0.69 1.09 0.00 0.02 0.00 0.00 41.25 41.01 1iru s ASN 211 CO 0.41 -0.72 1.77 0.00 0.02 0.00 0.00 177.10 178.58 1iru n ALA 212 N -1.78 2.73 -0.02 0.60 0.00 -1.26 -3.39 120.51 117.39 1iru n ALA 212 Ca 0.07 -0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.15 1iru n ALA 212 Cb 0.59 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.90 1iru n ALA 212 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iru n THR 213 N -0.29 0.79 -1.55 0.00 -2.24 -1.26 -4.55 114.28 105.18 1iru n THR 213 Ca 0.17 -0.90 0.06 0.00 -2.27 0.00 0.00 64.05 61.12 1iru n THR 213 Cb 0.32 0.63 0.13 0.00 -2.10 0.00 0.00 70.33 69.31 1iru n THR 213 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1iru n ASN 214 N 0.14 1.63 -3.70 3.42 5.15 -1.22 -4.85 115.26 115.83 1iru n ASN 214 Ca 0.06 -3.06 -0.12 0.00 -0.60 0.00 0.00 54.58 50.86 1iru n ASN 214 Cb 0.31 -0.41 -0.07 0.00 -0.53 0.00 0.00 39.78 39.08 1iru n ASN 214 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1iru s ILE 215 N -2.22 0.07 -0.03 -1.44 -4.36 -1.26 -1.83 121.20 110.12 1iru s ILE 215 Ca 0.29 -0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.20 1iru s ILE 215 Cb 0.28 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 43.03 1iru s ILE 215 CO -0.03 -0.30 -0.21 -1.61 0.24 0.00 0.00 174.94 173.03 1iru s GLU 216 N -2.53 1.92 -0.01 0.37 2.02 -0.19 -4.89 118.70 115.39 1iru s GLU 216 Ca -0.05 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1iru s GLU 216 Cb -0.01 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.48 1iru s GLU 216 CO -0.03 0.38 -0.03 -1.17 0.02 0.00 0.00 175.26 174.43 1iru s LEU 217 N -0.28 1.89 0.05 1.80 1.98 -1.26 -1.42 118.68 121.44 1iru s LEU 217 Ca 0.02 -0.06 -0.15 0.00 -2.89 0.00 0.00 54.13 51.05 1iru s LEU 217 Cb -0.10 -0.20 0.03 0.00 0.66 0.00 0.00 46.19 46.58 1iru s LEU 217 CO 0.01 0.02 0.34 0.00 -1.89 0.00 0.00 176.35 174.83 1iru s ALA 218 N 0.07 -0.79 0.16 5.97 0.00 -0.55 -0.59 121.76 126.03 1iru s ALA 218 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1iru s ALA 218 Cb -0.03 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1iru s ALA 218 CO -0.00 -0.43 0.04 0.95 0.00 0.00 0.00 175.76 176.32 1iru s THR 219 N -2.56 0.35 -0.12 0.00 -4.23 -0.44 -0.46 115.64 108.17 1iru s THR 219 Ca -0.05 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1iru s THR 219 Cb -0.01 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.74 1iru s THR 219 CO -0.03 -0.40 0.27 -0.69 -0.54 0.00 0.00 174.62 173.22 1iru s VAL 220 N -3.88 -0.28 0.12 2.29 1.01 0.06 -0.74 120.40 118.98 1iru s VAL 220 Ca 0.26 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1iru s VAL 220 Cb 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1iru s VAL 220 CO 0.04 0.09 -0.14 0.00 0.00 0.00 0.00 175.10 175.10 1iru s GLN 221 N 2.00 1.00 0.62 2.72 -2.07 -0.98 0.04 119.66 123.00 1iru s GLN 221 Ca -0.03 -1.22 0.00 0.00 -1.82 0.00 0.00 55.36 52.30 1iru s GLN 221 Cb -0.11 -0.89 0.00 0.00 -1.09 0.00 0.00 33.01 30.91 1iru s GLN 221 CO -0.09 0.17 0.96 -2.30 -1.32 0.00 0.00 175.29 172.71 1iru n PRO 222 N 0.59 0.03 -0.01 9.60 -0.02 -1.26 -2.32 135.00 141.61 1iru n PRO 222 Ca -0.16 0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1iru n PRO 222 Cb 0.57 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1iru n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iru n GLY 223 N -1.46 -0.19 3.73 -1.23 0.00 -1.26 -5.03 105.19 99.74 1iru n GLY 223 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1iru n GLY 223 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iru s GLN 224 N -2.27 4.65 0.30 1.61 -0.21 -0.98 -5.03 119.66 117.73 1iru s GLN 224 Ca -0.10 1.51 -0.28 0.00 0.02 0.00 0.00 55.36 56.51 1iru s GLN 224 Cb 0.02 -3.37 -0.09 0.00 1.00 0.00 0.00 33.01 30.57 1iru s GLN 224 CO 0.15 0.14 0.99 -0.80 -2.12 0.00 0.00 175.29 173.65 1iru s ASN 225 N 0.13 7.35 0.00 5.90 0.01 -1.26 -2.32 114.94 124.74 1iru s ASN 225 Ca 0.48 1.99 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 1iru s ASN 225 Cb -0.24 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.82 1iru s ASN 225 CO 0.31 -0.07 0.00 0.33 -1.51 0.00 0.00 177.10 176.16 1iru n PHE 226 N 0.91 0.00 -3.77 2.20 7.35 0.05 -4.91 117.46 119.29 1iru n PHE 226 Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 1iru n PHE 226 Cb 0.48 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.14 1iru n PHE 226 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1iru s HIS 227 N 0.00 0.32 -0.60 -5.13 5.65 0.08 -5.00 115.29 110.61 1iru s HIS 227 Ca 0.00 0.05 -0.21 0.00 0.25 0.00 0.00 55.06 55.15 1iru s HIS 227 Cb 0.00 -0.56 0.08 0.00 -1.18 0.00 0.00 32.58 30.92 1iru s HIS 227 CO 0.00 -0.21 0.83 1.41 -0.65 0.00 0.00 174.74 176.11 1iru s MET 228 N 1.77 3.12 0.14 2.88 1.75 -1.26 -1.33 119.30 126.36 1iru s MET 228 Ca 0.01 -0.93 -0.32 0.00 -1.25 0.00 0.00 55.69 53.20 1iru s MET 228 Cb -0.13 -4.20 -0.18 0.00 2.84 0.00 0.00 34.83 33.17 1iru s MET 228 CO -0.03 -1.60 0.74 1.19 -0.65 0.00 0.00 175.02 174.66 1iru n PHE 229 N 7.02 0.01 -1.93 4.11 3.01 0.24 -4.96 117.46 124.96 1iru n PHE 229 Ca -0.05 0.98 -0.29 0.00 1.01 0.00 0.00 57.45 59.09 1iru n PHE 229 Cb 0.45 -2.03 0.08 0.00 -0.01 0.00 0.00 39.48 37.97 1iru n PHE 229 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1iru s THR 230 N -0.64 2.41 0.45 4.37 -4.23 -1.26 -4.78 115.64 111.96 1iru s THR 230 Ca 0.73 0.09 0.12 0.00 -1.18 0.00 0.00 61.69 61.45 1iru s THR 230 Cb -1.03 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 69.98 1iru s THR 230 CO 0.56 -0.16 2.06 0.07 -0.54 0.00 0.00 174.62 176.61 1iru h LYS 231 N -0.91 0.34 0.09 3.99 -0.00 -1.93 -2.24 116.57 115.91 1iru h LYS 231 Ca -0.46 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1iru h LYS 231 Cb 1.31 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 1iru h LYS 231 CO 0.65 0.22 -0.04 0.93 -0.00 0.00 0.00 179.45 181.21 1iru h GLU 232 N 0.35 -0.12 -0.02 0.07 3.07 -1.94 -3.10 114.58 112.88 1iru h GLU 232 Ca 0.15 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1iru h GLU 232 Cb 0.16 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1iru h GLU 232 CO -0.03 0.39 0.35 0.93 -1.40 0.00 0.00 179.01 179.26 1iru h GLU 233 N -0.89 0.00 0.15 2.33 5.08 -1.86 0.62 114.58 120.01 1iru h GLU 233 Ca -0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 1iru h GLU 233 Cb 0.57 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.85 1iru h GLU 233 CO 0.02 0.00 -1.10 -0.07 -1.00 0.00 0.00 179.01 176.86 1iru h LEU 234 N 0.00 0.70 -0.52 1.33 3.38 -1.43 -3.06 115.31 115.71 1iru h LEU 234 Ca 0.01 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.17 1iru h LEU 234 Cb 0.72 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1iru h LEU 234 CO -0.00 1.53 0.19 -0.33 0.09 0.00 0.00 178.44 179.91 1iru h GLU 235 N -0.01 0.35 -0.95 1.13 4.39 0.27 0.43 114.58 120.19 1iru h GLU 235 Ca -0.18 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.59 1iru h GLU 235 Cb 1.83 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 30.32 1iru h GLU 235 CO 0.21 0.23 0.59 0.93 -1.16 0.00 0.00 179.01 179.81 1iru h GLU 236 N 0.36 0.96 0.16 2.33 5.08 -1.29 0.21 114.58 122.39 1iru h GLU 236 Ca 0.25 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 58.22 1iru h GLU 236 Cb 0.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1iru h GLU 236 CO -0.25 0.64 -1.67 0.28 -1.00 0.00 0.00 179.01 177.01 1iru h VAL 237 N 0.99 1.02 0.00 3.13 2.07 -1.26 -3.29 116.25 118.91 1iru h VAL 237 Ca 0.45 -2.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1iru h VAL 237 Cb 0.35 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1iru h VAL 237 CO -0.23 0.83 -0.14 0.40 0.02 0.00 0.00 177.57 178.45 1iru h ILE 238 N 0.09 0.61 -1.00 4.57 2.04 0.07 -2.41 117.51 121.47 1iru h ILE 238 Ca -0.30 -0.63 0.29 0.00 1.00 0.00 0.00 64.86 65.22 1iru h ILE 238 Cb 2.07 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 39.51 1iru h ILE 238 CO 0.17 0.14 0.74 0.50 0.00 0.00 0.00 178.15 179.70 1iru h LYS 239 N 0.00 0.00 -1.26 2.37 3.64 -0.65 0.01 116.57 120.68 1iru h LYS 239 Ca -0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1iru h LYS 239 Cb 0.39 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.91 1iru h LYS 239 CO 0.02 0.00 0.74 -0.25 -2.27 0.00 0.00 179.45 177.69 1iru n ASP 240 N -4.17 7.35 0.00 4.20 8.00 -0.91 -5.12 116.55 125.90 1iru n ASP 240 Ca 0.21 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.91 1iru n ASP 240 Cb 1.09 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1iru n ASP 240 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43