#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 2.44 0.31 2.98 2.15 -1.26 -5.13 116.67 118.17 1iru s ASP 9 Ca 0.00 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.61 1iru s ASP 9 Cb 0.00 -1.02 -0.04 0.00 -0.30 0.00 0.00 42.92 41.56 1iru s ASP 9 CO 0.00 -0.08 0.12 0.00 -0.17 0.00 0.00 175.17 175.04 1iru s ARG 10 N 1.58 1.61 0.76 4.34 1.70 -1.26 -5.15 118.95 122.53 1iru s ARG 10 Ca 0.05 -1.92 -0.11 0.00 -0.47 0.00 0.00 55.73 53.28 1iru s ARG 10 Cb -0.13 -0.35 0.05 0.00 -0.57 0.00 0.00 34.95 33.95 1iru s ARG 10 CO -0.09 -0.37 1.09 0.20 -1.08 0.00 0.00 175.30 175.05 1iru s GLY 11 N -3.41 1.75 0.27 3.88 0.00 -1.26 -4.91 107.32 103.63 1iru s GLY 11 Ca 0.34 0.31 0.25 0.00 0.00 0.00 0.00 44.72 45.62 1iru s GLY 11 CO 0.16 0.66 1.74 3.33 0.00 0.00 0.00 173.10 178.99 1iru n VAL 12 N -3.35 0.78 -1.41 1.40 0.24 -1.26 -2.91 118.33 111.81 1iru n VAL 12 Ca 0.09 0.13 -0.17 0.00 -2.04 0.00 0.00 64.34 62.35 1iru n VAL 12 Cb 0.53 -1.07 0.16 0.00 -1.47 0.00 0.00 33.84 31.99 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 -2.30 3.86 -4.83 -1.34 3.02 -1.26 -4.43 115.26 107.99 1iru n ASN 13 Ca 0.03 -3.73 -0.36 0.00 -0.03 0.00 0.00 54.58 50.49 1iru n ASN 13 Cb 0.27 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.65 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 -3.61 4.74 0.22 3.41 2.01 -1.15 -5.04 115.64 116.23 1iru s THR 14 Ca 0.52 1.03 -0.03 0.00 0.31 0.00 0.00 61.69 63.52 1iru s THR 14 Cb 0.45 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1iru s THR 14 CO 0.04 0.26 0.45 -0.36 -0.69 0.00 0.00 174.62 174.32 1iru s PHE 15 N -1.45 3.48 0.47 4.92 0.40 -1.26 -2.90 117.98 121.63 1iru s PHE 15 Ca 0.39 0.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 1iru s PHE 15 Cb -0.16 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.38 1iru s PHE 15 CO 0.20 0.31 0.69 -1.54 0.70 0.00 0.00 175.22 175.58 1iru s SER 16 N -2.99 5.74 0.66 1.36 1.04 0.05 -4.89 113.70 114.66 1iru s SER 16 Ca 0.41 0.25 0.39 0.00 0.48 0.00 0.00 55.95 57.48 1iru s SER 16 Cb -0.11 -1.43 2.15 0.00 0.10 0.00 0.00 66.02 66.73 1iru s SER 16 CO 0.28 -0.78 2.23 -0.65 0.98 0.00 0.00 173.24 175.30 1iru h PRO 17 N 0.33 0.00 0.00 4.02 0.11 -1.99 0.09 132.00 134.55 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 0.56 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 1iru n GLU 18 N -3.13 0.35 -2.29 1.05 1.02 -1.26 -4.91 120.64 111.47 1iru n GLU 18 Ca -0.02 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1iru n GLU 18 Cb 0.17 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.13 0.55 3.08 0.62 0.00 0.02 -5.07 105.19 105.51 1iru n GLY 19 Ca 0.12 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.48 0.24 -0.21 1.61 0.52 -1.26 -4.92 118.95 110.45 1iru s ARG 20 Ca 0.02 0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 55.16 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 0.06 -0.03 1.21 -0.51 0.02 0.00 0.00 175.30 176.04 1iru s LEU 21 N 0.00 4.10 0.19 2.53 1.43 -1.26 -0.77 118.68 124.89 1iru s LEU 21 Ca -0.01 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.35 1iru s LEU 21 Cb -0.02 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.75 1iru s LEU 21 CO 0.00 -0.80 1.56 -0.26 0.23 0.00 0.00 176.35 177.09 1iru h PHE 22 N 8.20 -1.24 -0.03 0.29 -1.00 -1.84 -1.23 116.94 120.09 1iru h PHE 22 Ca -0.24 0.09 0.03 0.00 2.81 0.00 0.00 57.97 60.66 1iru h PHE 22 Cb 1.09 0.64 -0.05 0.00 3.61 0.00 0.00 35.95 41.25 1iru h PHE 22 CO 0.80 -0.41 -0.24 1.96 -1.61 0.00 0.00 178.31 178.82 1iru h GLN 23 N -0.14 -0.34 -0.63 1.51 1.08 -1.85 0.22 115.11 114.96 1iru h GLN 23 Ca 0.23 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.55 1iru h GLN 23 Cb 0.55 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1iru h GLN 23 CO -0.79 -0.23 0.42 0.28 -0.95 0.00 0.00 178.83 177.57 1iru h VAL 24 N -0.35 0.89 -0.13 -0.54 2.07 -1.72 -0.47 116.25 115.99 1iru h VAL 24 Ca 0.07 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 1iru h VAL 24 Cb 0.45 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1iru h VAL 24 CO -0.23 0.08 -0.65 -0.33 0.02 0.00 0.00 177.57 176.46 1iru h GLU 25 N 0.42 0.67 0.00 1.57 4.39 -0.05 -2.87 114.58 118.71 1iru h GLU 25 Ca 0.29 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1iru h GLU 25 Cb 0.57 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1iru h GLU 25 CO -0.08 1.16 0.00 0.66 -1.16 0.00 0.00 179.01 179.59 1iru n TYR 26 N -4.08 0.81 -0.07 4.33 0.53 0.64 -2.31 117.16 117.03 1iru n TYR 26 Ca -0.08 0.35 -0.08 0.00 -1.02 0.00 0.00 57.90 57.08 1iru n TYR 26 Cb 0.68 -1.07 -0.15 0.00 -1.03 0.00 0.00 39.34 37.77 1iru n TYR 26 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 1iru n ASP 27 N -2.27 0.27 -0.21 7.72 3.85 -0.55 -3.32 116.55 122.03 1iru n ASP 27 Ca 0.01 0.13 0.08 0.00 -0.71 0.00 0.00 54.79 54.29 1iru n ASP 27 Cb 0.16 0.73 0.35 0.00 -1.35 0.00 0.00 41.12 41.01 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 0.98 -0.72 2.12 1.08 -1.23 0.22 117.51 119.96 1iru h ILE 28 Ca -0.43 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1iru h ILE 28 Cb 2.09 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 1iru h ILE 28 CO 0.04 0.14 0.31 -0.33 -0.69 0.00 0.00 178.15 177.63 1iru h GLU 29 N 0.76 1.05 -0.17 2.37 4.39 -1.58 -2.69 114.58 118.72 1iru h GLU 29 Ca 0.35 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1iru h GLU 29 Cb 0.36 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1iru h GLU 29 CO -0.13 0.85 0.05 0.00 -1.16 0.00 0.00 179.01 178.62 1iru h ALA 30 N 1.15 1.77 -0.36 3.43 0.00 -0.58 -2.20 119.26 122.46 1iru h ALA 30 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1iru h ALA 30 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1iru h ALA 30 CO -0.02 0.18 0.08 0.82 0.00 0.00 0.00 179.25 180.31 1iru h ILE 31 N 0.23 1.17 0.00 0.00 2.04 -1.07 -1.39 117.51 118.50 1iru h ILE 31 Ca 0.06 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1iru h ILE 31 Cb 0.09 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1iru h ILE 31 CO -0.00 0.22 0.00 0.29 0.00 0.00 0.00 178.15 178.66 1iru n LYS 32 N -4.33 0.05 -0.06 2.37 5.02 -0.83 -0.84 118.16 119.54 1iru n LYS 32 Ca 0.02 0.48 0.11 0.00 -2.02 0.00 0.00 58.31 56.90 1iru n LYS 32 Cb 0.19 -1.64 0.13 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.74 3.07 -4.97 -0.35 4.77 -0.52 -3.78 117.00 113.48 1iru n LEU 33 Ca 0.01 -1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 54.59 1iru n LEU 33 Cb 0.06 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1iru n LEU 33 CO 0.07 0.57 0.54 -0.83 -1.33 0.00 0.00 177.39 176.40 1iru s GLY 34 N -1.76 1.76 0.80 -0.72 0.00 -0.02 -4.91 107.32 102.47 1iru s GLY 34 Ca 0.30 -1.37 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1iru s GLY 34 CO 0.29 -0.90 1.09 -0.56 0.00 0.00 0.00 173.10 173.02 1iru s SER 35 N -4.61 4.44 -0.01 1.64 0.01 -1.26 -1.93 113.70 111.99 1iru s SER 35 Ca 0.63 1.38 -0.11 0.00 1.31 0.00 0.00 55.95 59.16 1iru s SER 35 Cb -0.08 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1iru s SER 35 CO 0.43 -2.01 0.33 0.28 0.41 0.00 0.00 173.24 172.69 1iru s THR 36 N -3.10 5.18 0.03 1.44 -1.32 -1.26 -4.09 115.64 112.52 1iru s THR 36 Ca 0.61 0.53 0.01 0.00 -1.21 0.00 0.00 61.69 61.63 1iru s THR 36 Cb -0.15 -3.61 -0.02 0.00 -1.51 0.00 0.00 72.50 67.21 1iru s THR 36 CO 0.55 0.49 -0.06 0.00 -2.21 0.00 0.00 174.62 173.39 1iru s ALA 37 N -1.17 0.41 0.01 11.08 0.00 0.50 -2.20 121.76 130.40 1iru s ALA 37 Ca 0.24 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.65 1iru s ALA 37 Cb -0.15 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1iru s ALA 37 CO 0.13 -0.03 -0.15 0.42 0.00 0.00 0.00 175.76 176.13 1iru s ILE 38 N -1.13 1.19 -0.04 0.00 1.01 0.22 -1.03 121.20 121.42 1iru s ILE 38 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1iru s ILE 38 Cb -0.08 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1iru s ILE 38 CO -0.00 0.20 -0.07 -0.83 0.00 0.00 0.00 174.94 174.24 1iru s GLY 39 N -0.70 0.51 0.01 6.18 0.00 0.34 -0.43 107.32 113.22 1iru s GLY 39 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 44.72 44.64 1iru s GLY 39 CO 0.00 0.23 -0.14 -0.42 0.00 0.00 0.00 173.10 172.77 1iru s ILE 40 N 0.65 1.12 -0.25 0.90 1.01 -0.77 -0.44 121.20 123.42 1iru s ILE 40 Ca -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1iru s ILE 40 Cb -0.13 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1iru s ILE 40 CO 0.01 0.18 -0.01 -1.58 0.00 0.00 0.00 174.94 173.53 1iru s GLN 41 N -0.70 3.09 0.16 2.79 0.74 0.30 -1.76 119.66 124.29 1iru s GLN 41 Ca 0.04 -0.83 0.11 0.00 0.05 0.00 0.00 55.36 54.73 1iru s GLN 41 Cb -0.06 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1iru s GLN 41 CO 0.00 -0.35 -0.24 0.99 -0.55 0.00 0.00 175.29 175.14 1iru s THR 42 N 1.43 2.23 -0.33 -0.34 2.01 0.13 -4.87 115.64 115.90 1iru s THR 42 Ca 0.03 -1.90 0.16 0.00 0.31 0.00 0.00 61.69 60.29 1iru s THR 42 Cb -0.16 -2.02 0.16 0.00 0.01 0.00 0.00 72.50 70.49 1iru s THR 42 CO -0.02 -0.06 1.48 -1.54 -0.69 0.00 0.00 174.62 173.79 1iru n SER 43 N 0.54 0.42 -0.77 3.53 3.41 -1.26 -0.05 113.62 119.44 1iru n SER 43 Ca -0.15 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1iru n SER 43 Cb 0.55 -0.72 0.13 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.07 1.87 -1.50 4.33 1.02 -1.26 -4.81 120.64 118.22 1iru n GLU 44 Ca -0.01 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.33 1iru n GLU 44 Cb 0.06 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.95 -0.36 3.10 0.62 0.00 0.93 -4.18 105.19 106.25 1iru n GLY 45 Ca 0.12 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.56 0.86 0.09 1.61 1.01 0.11 0.22 120.40 122.73 1iru s VAL 46 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1iru s VAL 46 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1iru s VAL 46 CO 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 175.10 174.87 1iru s LEU 48 N -2.01 1.58 -0.01 0.00 1.43 0.42 -1.84 118.68 118.25 1iru s LEU 48 Ca 0.02 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1iru s LEU 48 Cb -0.08 -0.58 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 1iru s LEU 48 CO 0.02 0.01 -0.05 0.00 0.23 0.00 0.00 176.35 176.56 1iru s ALA 49 N 0.58 0.44 -0.03 4.21 0.00 0.42 -1.51 121.76 125.87 1iru s ALA 49 Ca -0.09 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1iru s ALA 49 Cb -0.13 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1iru s ALA 49 CO 0.01 0.09 0.22 0.54 0.00 0.00 0.00 175.76 176.63 1iru s VAL 50 N -0.03 0.05 -0.20 0.00 0.11 -0.55 0.69 120.40 120.48 1iru s VAL 50 Ca 0.01 -0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 58.40 1iru s VAL 50 Cb -0.03 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1iru s VAL 50 CO -0.00 -0.23 0.78 -1.83 -3.33 0.00 0.00 175.10 170.49 1iru s GLU 51 N -0.91 4.24 0.31 1.54 -1.05 -0.93 -1.08 118.70 120.82 1iru s GLU 51 Ca -0.10 0.89 0.01 0.00 -0.15 0.00 0.00 54.97 55.62 1iru s GLU 51 Cb -0.05 -3.60 0.52 0.00 -0.44 0.00 0.00 34.13 30.56 1iru s GLU 51 CO 0.02 -0.36 1.90 0.87 0.95 0.00 0.00 175.26 178.64 1iru h LYS 52 N 7.47 0.77 -4.75 -4.83 1.57 -1.72 -3.42 116.57 111.66 1iru h LYS 52 Ca -0.28 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 1iru h LYS 52 Cb 1.12 -0.14 0.14 0.00 0.08 0.00 0.00 32.23 33.43 1iru h LYS 52 CO 0.83 0.64 -0.58 -2.13 -0.57 0.00 0.00 179.45 177.64 1iru n ARG 53 N -4.33 -1.58 -1.91 3.15 0.63 -1.26 -4.95 116.66 106.41 1iru n ARG 53 Ca 0.04 0.66 -0.41 0.00 -0.92 0.00 0.00 57.85 57.22 1iru n ARG 53 Cb 0.17 -4.61 -0.01 0.00 0.45 0.00 0.00 32.46 28.46 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 -0.94 5.15 1.01 -1.26 -4.93 121.20 119.29 1iru s ILE 54 Ca 0.31 0.30 0.10 0.00 0.00 0.00 0.00 60.65 61.37 1iru s ILE 54 Cb -0.04 -3.19 0.26 0.00 0.01 0.00 0.00 42.46 39.49 1iru s ILE 54 CO 0.53 0.06 1.18 0.35 0.00 0.00 0.00 174.94 177.06 1iru n THR 55 N 1.22 0.84 -3.62 2.92 -2.24 -1.26 -5.02 114.28 107.12 1iru n THR 55 Ca 0.03 -0.92 -0.06 0.00 -2.27 0.00 0.00 64.05 60.83 1iru n THR 55 Cb 0.40 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.98 -0.19 0.32 3.42 0.15 -1.26 -5.02 113.70 110.14 1iru s SER 56 Ca 0.20 0.26 0.10 0.00 0.70 0.00 0.00 55.95 57.21 1iru s SER 56 Cb 0.11 0.22 0.54 0.00 -1.71 0.00 0.00 66.02 65.18 1iru s SER 56 CO 0.15 -0.14 1.73 -0.65 1.20 0.00 0.00 173.24 175.52 1iru h PRO 57 N 2.62 0.08 0.00 5.44 0.11 -2.04 -2.84 132.00 135.37 1iru h PRO 57 Ca -0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 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 0.52 0.00 1.28 -0.21 0.00 0.00 178.00 179.82 1iru n LEU 58 N -4.00 0.00 -4.59 2.35 4.77 -1.26 -4.71 117.00 109.55 1iru n LEU 58 Ca -0.02 0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1iru n LEU 58 Cb 0.48 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1iru n LEU 58 CO 0.41 -0.00 -0.23 -0.32 -1.33 0.00 0.00 177.39 175.92 1iru s MET 59 N -2.04 3.92 -0.16 3.23 1.75 -1.07 -5.04 119.30 119.89 1iru s MET 59 Ca 0.36 -0.35 -0.28 0.00 -1.25 0.00 0.00 55.69 54.17 1iru s MET 59 Cb 0.17 -3.39 -0.06 0.00 2.84 0.00 0.00 34.83 34.39 1iru s MET 59 CO 0.29 0.04 2.16 -1.21 -0.65 0.00 0.00 175.02 175.65 1iru s GLU 60 N 1.04 3.35 0.60 4.11 0.41 -1.26 -4.83 118.70 122.12 1iru s GLU 60 Ca 0.06 2.15 0.30 0.00 -0.41 0.00 0.00 54.97 57.06 1iru s GLU 60 Cb -0.14 -4.33 1.73 0.00 -1.78 0.00 0.00 34.13 29.61 1iru s GLU 60 CO 0.04 -1.85 2.13 -1.00 -0.49 0.00 0.00 175.26 174.09 1iru h PRO 61 N 14.07 0.00 0.00 0.39 0.13 -1.93 -1.42 132.00 143.24 1iru h PRO 61 Ca -0.43 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 1iru h PRO 61 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1iru h PRO 61 CO 0.96 0.00 -0.85 0.66 -0.23 0.00 0.00 178.00 178.54 1iru h SER 62 N 0.00 0.16 0.00 1.44 4.64 -1.91 -3.26 113.55 114.62 1iru h SER 62 Ca 0.06 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1iru h SER 62 Cb 0.39 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1iru h SER 62 CO -0.00 0.93 0.00 -1.54 -0.87 0.00 0.00 176.83 175.35 1iru n SER 63 N -3.63 4.52 -3.45 4.97 3.41 -0.53 -4.39 113.62 114.51 1iru n SER 63 Ca -0.02 -2.21 -0.25 0.00 -0.26 0.00 0.00 58.87 56.13 1iru n SER 63 Cb 0.79 -0.94 -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 0.17 -0.07 -0.34 -1.33 1.01 -1.23 -5.00 121.20 114.41 1iru s ILE 64 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 1iru s ILE 64 Cb 0.00 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.55 1iru s ILE 64 CO 0.00 -0.79 0.09 -1.83 0.00 0.00 0.00 174.94 172.41 1iru s GLU 65 N 1.52 2.43 0.00 2.79 -1.05 -1.26 -4.87 118.70 118.26 1iru s GLU 65 Ca 0.15 -1.35 0.23 0.00 -0.15 0.00 0.00 54.97 53.85 1iru s GLU 65 Cb -0.19 -3.39 0.10 0.00 -0.44 0.00 0.00 34.13 30.21 1iru s GLU 65 CO -0.12 -0.74 1.16 1.63 0.95 0.00 0.00 175.26 178.14 1iru n LYS 66 N 4.71 1.27 -4.39 -4.83 5.02 -1.26 -4.82 118.16 113.86 1iru n LYS 66 Ca -0.11 -1.02 -0.27 0.00 -2.02 0.00 0.00 58.31 54.89 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 -2.44 1.30 0.15 -0.18 1.01 -1.26 -0.41 121.20 119.37 1iru s ILE 67 Ca 0.20 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1iru s ILE 67 Cb 0.18 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1iru s ILE 67 CO 0.54 0.40 -0.01 0.68 0.00 0.00 0.00 174.94 176.56 1iru s VAL 68 N 1.03 0.58 -0.09 2.92 -7.23 0.53 -4.96 120.40 113.17 1iru s VAL 68 Ca -0.07 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 57.96 1iru s VAL 68 Cb -0.15 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1iru s VAL 68 CO -0.01 -0.58 0.50 -0.70 -0.31 0.00 0.00 175.10 173.99 1iru s GLU 69 N -3.92 4.31 -0.22 4.82 2.12 -1.26 -0.34 118.70 124.22 1iru s GLU 69 Ca 0.21 0.50 -0.09 0.00 0.36 0.00 0.00 54.97 55.95 1iru s GLU 69 Cb 0.06 -3.41 -0.19 0.00 0.26 0.00 0.00 34.13 30.85 1iru s GLU 69 CO 0.01 0.21 -0.02 -0.89 -0.54 0.00 0.00 175.26 174.04 1iru n ILE 70 N 3.45 1.59 -3.47 -3.70 2.08 0.36 -4.95 119.36 114.71 1iru n ILE 70 Ca -0.07 -0.45 -0.11 0.00 0.56 0.00 0.00 62.75 62.69 1iru n ILE 70 Cb 0.52 -1.73 -0.02 0.00 -0.75 0.00 0.00 39.64 37.65 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 -6.96 -0.47 0.43 4.38 2.15 -0.96 -4.58 116.67 110.66 1iru s ASP 71 Ca -0.31 0.08 0.33 0.00 0.43 0.00 0.00 52.55 53.08 1iru s ASP 71 Cb 0.09 0.48 1.44 0.00 -0.30 0.00 0.00 42.92 44.63 1iru s ASP 71 CO 0.62 -0.74 1.47 0.00 -0.17 0.00 0.00 175.17 176.34 1iru n ALA 72 N -0.15 1.36 -0.35 3.66 0.00 -1.26 0.13 120.51 123.90 1iru n ALA 72 Ca -0.13 0.79 0.11 0.00 0.00 0.00 0.00 53.44 54.22 1iru n ALA 72 Cb 0.62 -1.01 0.31 0.00 0.00 0.00 0.00 19.45 19.38 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 -4.48 0.95 -3.71 0.00 1.44 -1.26 -0.82 115.22 107.33 1iru n HIS 73 Ca 0.39 -0.50 -0.13 0.00 -2.01 0.00 0.00 57.72 55.47 1iru n HIS 73 Cb 1.54 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 31.51 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 -1.01 -0.14 0.29 0.61 1.01 0.35 -1.76 121.20 120.56 1iru s ILE 74 Ca 0.48 0.20 0.10 0.00 0.00 0.00 0.00 60.65 61.43 1iru s ILE 74 Cb 0.25 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 1iru s ILE 74 CO 0.32 0.08 -0.08 -0.83 0.00 0.00 0.00 174.94 174.44 1iru s GLY 75 N 1.58 1.87 -0.12 6.18 0.00 0.24 -0.49 107.32 116.57 1iru s GLY 75 Ca -0.06 -1.83 -0.08 0.00 0.00 0.00 0.00 44.72 42.74 1iru s GLY 75 CO -0.08 -1.87 0.31 0.00 0.00 0.00 0.00 173.10 171.46 1iru s ALA 77 N 0.83 2.73 0.33 0.00 0.00 -0.26 -0.35 121.76 125.03 1iru s ALA 77 Ca -0.05 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1iru s ALA 77 Cb -0.06 -0.91 -0.07 0.00 0.00 0.00 0.00 23.12 22.08 1iru s ALA 77 CO -0.06 0.58 0.04 0.00 0.00 0.00 0.00 175.76 176.32 1iru s MET 78 N -1.23 1.68 -0.27 0.00 0.23 0.46 -1.16 119.30 119.01 1iru s MET 78 Ca 0.14 -1.92 -0.25 0.00 -1.03 0.00 0.00 55.69 52.63 1iru s MET 78 Cb -0.11 -0.99 0.08 0.00 -1.53 0.00 0.00 34.83 32.28 1iru s MET 78 CO 0.05 -0.15 0.77 0.45 -2.03 0.00 0.00 175.02 174.11 1iru s SER 79 N -3.51 -0.70 0.00 -1.18 0.15 -1.09 -4.87 113.70 102.51 1iru s SER 79 Ca 0.36 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1iru s SER 79 Cb 0.08 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1iru s SER 79 CO 0.15 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1iru n GLY 80 N 2.57 0.28 3.56 9.45 0.00 -1.26 -2.04 105.19 117.75 1iru n GLY 80 Ca -0.14 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.56 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 3.03 0.46 0.99 1.43 -0.19 -4.78 118.68 119.62 1iru s LEU 81 Ca 0.00 -0.60 0.21 0.00 -1.03 0.00 0.00 54.13 52.70 1iru s LEU 81 Cb 0.00 -2.56 1.20 0.00 0.03 0.00 0.00 46.19 44.85 1iru s LEU 81 CO 0.00 -3.19 1.91 0.40 0.23 0.00 0.00 176.35 175.69 1iru h ILE 82 N 7.23 0.71 -0.87 -0.59 1.08 -1.89 -1.28 117.51 121.89 1iru h ILE 82 Ca 0.08 -0.09 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 1iru h ILE 82 Cb 1.00 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 35.08 1iru h ILE 82 CO 1.15 0.05 0.51 0.00 -0.69 0.00 0.00 178.15 179.16 1iru h ALA 83 N 1.64 1.26 -0.63 1.87 0.00 -1.98 -1.80 119.26 119.62 1iru h ALA 83 Ca 0.39 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1iru h ALA 83 Cb 1.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1iru h ALA 83 CO -0.10 0.12 0.27 -0.44 0.00 0.00 0.00 179.25 179.10 1iru h ASP 84 N 0.83 0.85 -0.00 0.00 5.19 -1.61 -2.82 116.42 118.85 1iru h ASP 84 Ca 0.42 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1iru h ASP 84 Cb 0.41 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 1iru h ASP 84 CO -0.26 0.77 0.00 0.00 -3.12 0.00 0.00 179.24 176.64 1iru h ALA 85 N 1.11 1.42 -0.32 3.45 0.00 -1.31 -2.56 119.26 121.05 1iru h ALA 85 Ca 0.21 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1iru h ALA 85 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1iru h ALA 85 CO -0.02 -0.00 -0.18 1.57 0.00 0.00 0.00 179.25 180.61 1iru h LYS 86 N 0.00 -0.14 0.17 0.00 2.10 -1.31 -0.16 116.57 117.23 1iru h LYS 86 Ca 0.00 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1iru h LYS 86 Cb 0.00 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1iru h LYS 86 CO -0.00 -0.09 -0.09 1.15 -2.00 0.00 0.00 179.45 178.42 1iru h THR 87 N -0.14 0.82 -0.97 0.07 2.02 -1.63 -2.15 112.91 110.92 1iru h THR 87 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1iru h THR 87 Cb 0.40 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1iru h THR 87 CO -0.41 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.03 1iru h LEU 88 N -0.23 1.15 -0.82 2.58 3.38 -1.55 -1.55 115.31 118.27 1iru h LEU 88 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iru h LEU 88 Cb 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1iru h LEU 88 CO 0.03 0.86 0.54 0.40 0.09 0.00 0.00 178.44 180.36 1iru h ILE 89 N 1.33 1.20 -0.20 1.22 1.08 -0.78 -2.13 117.51 119.24 1iru h ILE 89 Ca 0.35 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1iru h ILE 89 Cb -0.10 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.64 1iru h ILE 89 CO -0.07 0.20 -0.04 -0.78 -0.69 0.00 0.00 178.15 176.77 1iru h ASP 90 N 1.10 0.38 -0.84 1.72 3.58 -0.77 -1.91 116.42 119.67 1iru h ASP 90 Ca 0.30 -0.36 0.16 0.00 0.42 0.00 0.00 57.03 57.56 1iru h ASP 90 Cb -0.11 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 40.77 1iru h ASP 90 CO -0.07 0.65 0.55 0.50 -2.88 0.00 0.00 179.24 178.00 1iru h LYS 91 N 0.10 0.48 -0.04 0.28 3.11 -1.05 0.71 116.57 120.16 1iru h LYS 91 Ca 0.05 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1iru h LYS 91 Cb 0.48 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1iru h LYS 91 CO 0.02 0.32 -0.02 0.00 -2.81 0.00 0.00 179.45 176.95 1iru h ALA 92 N 1.62 0.05 -0.55 5.00 0.00 -1.06 0.10 119.26 124.43 1iru h ALA 92 Ca 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1iru h ALA 92 Cb 0.92 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1iru h ALA 92 CO -0.16 -0.21 0.31 0.00 0.00 0.00 0.00 179.25 179.18 1iru h ARG 93 N -0.32 0.76 -0.87 0.00 3.08 -0.47 -0.68 114.38 115.87 1iru h ARG 93 Ca 0.01 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1iru h ARG 93 Cb 0.46 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1iru h ARG 93 CO 0.01 0.58 0.46 0.28 -1.07 0.00 0.00 179.97 180.22 1iru h VAL 94 N 0.73 1.26 -0.46 2.04 2.07 -0.87 -2.56 116.25 118.47 1iru h VAL 94 Ca 0.19 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1iru h VAL 94 Cb 0.04 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1iru h VAL 94 CO -0.03 0.30 0.17 -0.33 0.02 0.00 0.00 177.57 177.70 1iru h GLU 95 N 1.23 0.69 -0.22 1.57 4.39 -0.17 -1.60 114.58 120.46 1iru h GLU 95 Ca 0.30 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1iru h GLU 95 Cb 0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1iru h GLU 95 CO -0.05 0.63 0.11 1.79 -1.16 0.00 0.00 179.01 180.34 1iru h THR 96 N 0.60 1.08 0.06 1.13 1.35 -0.79 -1.90 112.91 114.44 1iru h THR 96 Ca 0.15 -0.23 -0.24 0.00 -0.55 0.00 0.00 66.41 65.54 1iru h THR 96 Cb 0.21 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1iru h THR 96 CO -0.01 0.09 -1.07 1.56 -0.25 0.00 0.00 175.52 175.84 1iru h GLN 97 N 0.31 0.24 -0.50 4.72 1.08 -1.14 -2.01 115.11 117.81 1iru h GLN 97 Ca 0.08 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 56.87 1iru h GLN 97 Cb 0.04 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1iru h GLN 97 CO -0.01 1.11 0.04 -0.91 -0.95 0.00 0.00 178.83 178.11 1iru h ASN 98 N 0.10 0.78 -0.24 1.46 2.35 -0.73 0.51 115.58 119.80 1iru h ASN 98 Ca -0.09 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1iru h ASN 98 Cb 1.77 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 1iru h ASN 98 CO 0.17 0.82 -0.06 -0.74 -1.65 0.00 0.00 177.43 175.96 1iru h HIS 99 N 0.77 0.53 -0.64 1.19 2.76 -1.36 -0.88 115.15 117.52 1iru h HIS 99 Ca 0.16 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1iru h HIS 99 Cb 0.40 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 1iru h HIS 99 CO 0.02 0.70 0.09 2.35 -1.30 0.00 0.00 177.93 179.79 1iru h TRP 100 N 0.21 1.14 0.51 5.26 7.01 -0.95 0.21 115.95 129.35 1iru h TRP 100 Ca 0.06 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 1iru h TRP 100 Cb 0.53 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1iru h TRP 100 CO 0.05 0.97 -0.28 0.35 -2.79 0.00 0.00 178.44 176.75 1iru h PHE 101 N 0.98 -0.72 0.08 2.65 3.57 0.17 0.15 116.94 123.82 1iru h PHE 101 Ca 0.19 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1iru h PHE 101 Cb 0.45 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1iru h PHE 101 CO 0.03 -0.43 -0.04 1.15 -2.23 0.00 0.00 178.31 176.79 1iru h THR 102 N -0.73 1.11 -0.01 4.41 2.02 -1.06 -3.36 112.91 115.29 1iru h THR 102 Ca -0.06 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1iru h THR 102 Cb 0.58 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1iru h THR 102 CO 0.09 0.16 -0.66 -1.22 0.37 0.00 0.00 175.52 174.26 1iru n TYR 103 N -5.00 0.00 -3.50 3.16 4.02 0.74 -5.02 117.16 111.56 1iru n TYR 103 Ca -0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.62 1iru n TYR 103 Cb 0.19 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 -0.75 -6.04 -3.61 7.72 5.15 0.54 -5.00 115.26 113.27 1iru n ASN 104 Ca 0.06 -0.69 -0.04 0.00 -0.60 0.00 0.00 54.58 53.31 1iru n ASN 104 Cb 0.36 -3.56 -0.03 0.00 -0.53 0.00 0.00 39.78 36.02 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 -4.66 0.25 0.56 1.20 -1.05 -1.26 -5.06 118.70 108.68 1iru s GLU 105 Ca 0.18 -0.02 -0.16 0.00 -0.15 0.00 0.00 54.97 54.83 1iru s GLU 105 Cb -0.06 0.12 -0.05 0.00 -0.44 0.00 0.00 34.13 33.69 1iru s GLU 105 CO 0.83 -0.09 1.02 0.95 0.95 0.00 0.00 175.26 178.92 1iru s THR 106 N -1.65 4.18 0.02 1.83 -4.23 -1.26 -4.03 115.64 110.50 1iru s THR 106 Ca 0.07 1.01 -0.20 0.00 -1.18 0.00 0.00 61.69 61.40 1iru s THR 106 Cb -0.01 -3.56 -0.06 0.00 1.34 0.00 0.00 72.50 70.22 1iru s THR 106 CO -0.05 -0.63 0.59 -0.32 -0.54 0.00 0.00 174.62 173.68 1iru s MET 107 N -4.15 4.29 0.86 3.99 1.75 -1.26 -5.01 119.30 119.76 1iru s MET 107 Ca 0.61 0.75 -0.11 0.00 -1.25 0.00 0.00 55.69 55.69 1iru s MET 107 Cb -0.13 -3.31 0.11 0.00 2.84 0.00 0.00 34.83 34.35 1iru s MET 107 CO 0.36 0.46 1.14 0.95 -0.65 0.00 0.00 175.02 177.27 1iru s THR 108 N -0.50 2.39 0.31 10.11 -4.23 -1.26 -4.85 115.64 117.62 1iru s THR 108 Ca 0.31 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 61.00 1iru s THR 108 Cb -0.19 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.42 1iru s THR 108 CO 0.18 -0.16 1.78 0.58 -0.54 0.00 0.00 174.62 176.46 1iru h VAL 109 N -1.53 1.25 -0.15 2.29 2.07 -1.95 -2.34 116.25 115.89 1iru h VAL 109 Ca -0.44 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1iru h VAL 109 Cb 1.26 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1iru h VAL 109 CO 0.45 0.36 -0.06 -0.08 0.02 0.00 0.00 177.57 178.26 1iru h GLU 110 N 0.33 0.31 -0.73 1.57 4.81 -1.98 -2.37 114.58 116.52 1iru h GLU 110 Ca 0.05 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1iru h GLU 110 Cb 0.60 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1iru h GLU 110 CO 0.04 0.62 0.43 0.77 -0.73 0.00 0.00 179.01 180.13 1iru h SER 111 N -0.01 0.88 -0.06 1.04 0.02 -1.89 -0.72 113.55 112.81 1iru h SER 111 Ca 0.04 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1iru h SER 111 Cb 0.52 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1iru h SER 111 CO 0.02 0.69 0.02 0.58 -1.14 0.00 0.00 176.83 177.00 1iru h VAL 112 N 1.01 1.16 -0.68 2.27 2.07 -1.39 0.43 116.25 121.12 1iru h VAL 112 Ca 0.26 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1iru h VAL 112 Cb -0.02 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1iru h VAL 112 CO -0.05 0.14 0.40 0.74 0.02 0.00 0.00 177.57 178.82 1iru h THR 113 N -0.08 1.02 -0.28 2.57 2.02 -1.07 -1.94 112.91 115.14 1iru h THR 113 Ca 0.02 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1iru h THR 113 Cb 0.20 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1iru h THR 113 CO -0.00 0.14 0.18 -0.61 0.37 0.00 0.00 175.52 175.59 1iru h GLN 114 N 0.76 0.38 -0.61 6.66 4.15 -0.91 -0.22 115.11 125.32 1iru h GLN 114 Ca 0.29 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.77 1iru h GLN 114 Cb 0.11 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.65 1iru h GLN 114 CO -0.15 0.29 0.23 0.00 -1.93 0.00 0.00 178.83 177.27 1iru h ALA 115 N 1.07 0.79 -0.46 3.38 0.00 -0.31 0.58 119.26 124.32 1iru h ALA 115 Ca 0.10 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1iru h ALA 115 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iru h ALA 115 CO -0.02 -0.18 -0.07 0.28 0.00 0.00 0.00 179.25 179.26 1iru h VAL 116 N 0.42 1.25 0.00 0.00 2.07 -0.96 -2.69 116.25 116.34 1iru h VAL 116 Ca 0.31 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1iru h VAL 116 Cb 0.37 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1iru h VAL 116 CO -0.30 0.39 -0.01 0.28 0.02 0.00 0.00 177.57 177.95 1iru h SER 117 N 0.74 0.00 0.77 0.57 0.02 0.93 -2.40 113.55 114.18 1iru h SER 117 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1iru h SER 117 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1iru h SER 117 CO 0.03 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.33 1iru n ASN 118 N -3.17 0.55 -0.43 3.07 3.02 -0.78 -0.49 115.26 117.04 1iru n ASN 118 Ca -0.02 0.62 0.07 0.00 -0.03 0.00 0.00 54.58 55.22 1iru n ASN 118 Cb 0.17 -0.75 0.25 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.10 1.28 0.00 3.41 4.77 -0.90 -4.63 117.00 118.82 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 0.24 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 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 0.13 0.00 -1.23 -1.18 0.00 0.36 -2.89 120.51 115.70 1iru n ALA 120 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1iru n ALA 120 Cb 0.23 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 7.23 -2.10 0.00 4.77 -1.26 -4.74 117.00 120.90 1iru n LEU 121 Ca 0.00 -3.95 -0.15 0.00 -0.03 0.00 0.00 56.01 51.88 1iru n LEU 121 Cb 0.00 -0.93 -0.15 0.00 -2.33 0.00 0.00 43.42 40.01 1iru n LEU 121 CO 0.00 1.30 1.66 0.00 -1.33 0.00 0.00 177.39 179.02 1iru n GLN 122 N -0.89 2.10 -4.21 3.23 1.13 -1.14 -4.85 117.38 112.75 1iru n GLN 122 Ca 0.59 -1.21 -0.18 0.00 -1.94 0.00 0.00 57.00 54.26 1iru n GLN 122 Cb 0.99 -2.04 -0.11 0.00 0.11 0.00 0.00 30.24 29.19 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 0.66 1.31 0.00 1.08 -0.12 -1.26 -4.26 117.98 115.38 1iru s PHE 123 Ca 0.66 -0.54 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 1iru s PHE 123 Cb 0.32 -0.70 0.00 0.00 -0.63 0.00 0.00 43.02 42.01 1iru s PHE 123 CO -0.03 0.10 0.00 0.41 -0.05 0.00 0.00 175.22 175.65 1iru n GLY 124 N 0.75 0.98 0.00 1.99 0.00 -1.12 -4.94 105.19 102.86 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 -0.40 0.00 -0.84 1.61 1.02 -1.26 -4.59 120.64 116.18 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 -2.45 3.49 4.71 -1.26 -2.65 120.64 122.11 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 -1.57 -0.01 0.00 -1.01 0.00 0.00 31.44 28.85 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 0.12 -3.95 -4.44 1.62 8.00 -1.26 -4.95 116.55 111.68 1iru n ASP 127 Ca 0.03 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 1iru n ASP 127 Cb 0.56 -3.35 -0.11 0.00 -0.02 0.00 0.00 41.12 38.20 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 2.61 1.19 2.24 0.00 -1.09 -5.14 121.76 118.94 1iru s ALA 128 Ca 0.00 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 1iru s ALA 128 Cb -0.00 -0.26 0.28 0.00 0.00 0.00 0.00 23.12 23.14 1iru s ALA 128 CO 0.00 0.30 1.11 -0.51 0.00 0.00 0.00 175.76 176.67 1iru s ASP 129 N -3.23 1.00 -0.03 0.00 1.01 -1.26 -4.99 116.67 109.18 1iru s ASP 129 Ca 0.26 0.66 -0.21 0.00 0.71 0.00 0.00 52.55 53.98 1iru s ASP 129 Cb -0.06 -0.93 -0.31 0.00 1.01 0.00 0.00 42.92 42.64 1iru s ASP 129 CO 0.13 -4.07 0.95 1.55 0.21 0.00 0.00 175.17 173.93 1iru h PRO 130 N -2.55 0.36 -2.22 8.23 0.13 -2.01 -3.32 132.00 130.62 1iru h PRO 130 Ca -0.45 -0.57 -0.52 0.00 -0.87 0.00 0.00 66.00 63.58 1iru h PRO 130 Cb 1.30 0.21 -0.13 0.00 0.13 0.00 0.00 31.00 32.50 1iru h PRO 130 CO 0.35 1.26 1.01 0.41 -0.23 0.00 0.00 178.00 180.80 1iru n GLY 131 N 1.58 4.32 3.53 1.56 0.00 -1.26 -4.89 105.19 110.01 1iru n GLY 131 Ca -0.14 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.81 2.81 0.72 4.61 0.00 -1.25 -5.10 121.76 122.74 1iru s ALA 132 Ca 0.60 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 1iru s ALA 132 Cb 0.31 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1iru s ALA 132 CO -0.14 0.58 1.24 -1.64 0.00 0.00 0.00 175.76 175.81 1iru s MET 133 N -1.18 2.14 0.00 0.00 -1.94 -1.26 -4.94 119.30 112.13 1iru s MET 133 Ca 0.14 1.89 0.02 0.00 -1.71 0.00 0.00 55.69 56.03 1iru s MET 133 Cb -0.11 -1.82 0.01 0.00 2.01 0.00 0.00 34.83 34.93 1iru s MET 133 CO 0.04 -1.86 0.54 -1.13 -0.01 0.00 0.00 175.02 172.60 1iru n SER 134 N -2.56 1.10 -3.51 3.03 3.41 -1.26 -2.78 113.62 111.05 1iru n SER 134 Ca 0.14 -1.05 -0.08 0.00 -0.26 0.00 0.00 58.87 57.62 1iru n SER 134 Cb 0.49 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.17 0.80 1.15 4.33 1.70 -1.26 -4.66 118.95 120.83 1iru s ARG 135 Ca 0.02 -0.28 -0.16 0.00 -0.47 0.00 0.00 55.73 54.83 1iru s ARG 135 Cb 0.01 0.37 0.26 0.00 -0.57 0.00 0.00 34.95 35.02 1iru s ARG 135 CO 0.02 -0.35 1.07 -2.14 -1.08 0.00 0.00 175.30 172.83 1iru s PRO 136 N -3.05 -0.80 -0.14 3.89 0.02 -1.26 -4.87 135.00 128.77 1iru s PRO 136 Ca 0.05 0.28 -0.15 0.00 0.02 0.00 0.00 61.00 61.20 1iru s PRO 136 Cb -0.01 -1.61 -0.05 0.00 0.02 0.00 0.00 34.50 32.85 1iru s PRO 136 CO -0.09 -3.51 0.35 -0.06 -0.33 0.00 0.00 177.00 173.37 1iru s PHE 137 N -2.84 3.48 -1.42 6.54 0.40 -1.26 -4.98 117.98 117.90 1iru s PHE 137 Ca 0.68 0.69 -0.10 0.00 -0.60 0.00 0.00 56.93 57.60 1iru s PHE 137 Cb -0.16 -2.40 0.06 0.00 0.51 0.00 0.00 43.02 41.04 1iru s PHE 137 CO 0.58 0.23 2.31 0.41 0.70 0.00 0.00 175.22 179.45 1iru n GLY 138 N 3.31 4.64 3.03 4.36 0.00 -1.26 -4.64 105.19 114.64 1iru n GLY 138 Ca -0.10 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 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 1.34 0.31 0.01 1.61 1.01 -1.26 -1.02 120.40 122.40 1iru s VAL 139 Ca 0.51 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1iru s VAL 139 Cb 0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1iru s VAL 139 CO -0.06 -0.55 -0.18 0.00 0.00 0.00 0.00 175.10 174.32 1iru s ALA 140 N -1.88 1.53 0.10 5.51 0.00 -0.87 -3.33 121.76 122.83 1iru s ALA 140 Ca -0.09 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1iru s ALA 140 Cb -0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1iru s ALA 140 CO -0.02 0.36 -0.10 -0.51 0.00 0.00 0.00 175.76 175.49 1iru s LEU 141 N -0.75 2.42 -0.19 0.00 1.43 0.72 -2.66 118.68 119.64 1iru s LEU 141 Ca 0.06 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1iru s LEU 141 Cb -0.08 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 45.93 1iru s LEU 141 CO 0.00 -0.29 -0.00 -0.76 0.23 0.00 0.00 176.35 175.53 1iru s LEU 142 N -2.53 1.58 -0.36 1.79 1.43 -0.30 -1.65 118.68 118.64 1iru s LEU 142 Ca 0.06 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1iru s LEU 142 Cb -0.02 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 1iru s LEU 142 CO -0.01 -0.26 0.35 -0.36 0.23 0.00 0.00 176.35 176.30 1iru s PHE 143 N 1.71 3.21 -0.08 0.29 0.40 0.17 -1.10 117.98 122.57 1iru s PHE 143 Ca -0.02 -0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1iru s PHE 143 Cb -0.17 -2.66 -0.02 0.00 0.51 0.00 0.00 43.02 40.68 1iru s PHE 143 CO -0.07 -0.46 -0.16 0.20 0.70 0.00 0.00 175.22 175.42 1iru s GLY 144 N 1.74 1.49 0.03 4.36 0.00 0.10 -1.20 107.32 113.83 1iru s GLY 144 Ca 0.10 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.69 1iru s GLY 144 CO 0.12 -0.51 0.80 0.61 0.00 0.00 0.00 173.10 174.12 1iru n GLY 145 N 2.93 0.50 2.96 0.20 0.00 -0.49 0.79 105.19 112.08 1iru n GLY 145 Ca -0.18 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.11 0.68 0.03 1.61 1.01 -0.72 0.32 120.40 121.21 1iru s VAL 146 Ca 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1iru s VAL 146 Cb -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1iru s VAL 146 CO 0.01 0.23 0.04 -0.90 0.00 0.00 0.00 175.10 174.48 1iru n ASP 147 N 3.50 -0.12 -0.08 3.32 5.68 -0.82 -4.86 116.55 123.18 1iru n ASP 147 Ca -0.20 -1.18 0.23 0.00 -0.50 0.00 0.00 54.79 53.14 1iru n ASP 147 Cb 0.53 0.23 0.46 0.00 -1.14 0.00 0.00 41.12 41.20 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 -0.61 0.11 4.11 -1.97 1.06 114.58 117.28 1iru h GLU 148 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1iru h GLU 148 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1iru h GLU 148 CO 0.03 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.74 1iru n LYS 149 N -3.23 4.58 0.00 1.06 5.02 -1.26 -5.06 118.16 119.27 1iru n LYS 149 Ca 0.17 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 1iru n LYS 149 Cb 1.27 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.75 -1.87 3.77 0.72 0.00 0.37 -4.88 105.19 104.04 1iru n GLY 150 Ca 0.27 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 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 3.85 -0.07 1.61 0.02 -1.26 -1.94 135.00 137.21 1iru s PRO 151 Ca 0.00 1.79 -0.16 0.00 0.02 0.00 0.00 61.00 62.65 1iru s PRO 151 Cb 0.00 -2.48 0.03 0.00 0.02 0.00 0.00 34.50 32.07 1iru s PRO 151 CO 0.00 -0.48 0.38 -0.65 -0.33 0.00 0.00 177.00 175.92 1iru s GLN 152 N -2.58 0.63 -0.06 5.54 -0.21 0.15 -4.93 119.66 118.20 1iru s GLN 152 Ca 0.62 0.13 0.03 0.00 0.02 0.00 0.00 55.36 56.15 1iru s GLN 152 Cb -0.29 0.29 0.01 0.00 1.00 0.00 0.00 33.01 34.02 1iru s GLN 152 CO 0.36 -0.15 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.07 1iru s LEU 153 N -0.74 1.74 0.03 2.90 2.96 -1.26 -1.39 118.68 122.92 1iru s LEU 153 Ca -0.08 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1iru s LEU 153 Cb -0.04 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 1iru s LEU 153 CO 0.03 0.07 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.64 1iru s PHE 154 N 0.45 1.13 0.02 5.38 0.40 -0.34 -1.19 117.98 123.83 1iru s PHE 154 Ca -0.11 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1iru s PHE 154 Cb -0.14 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1iru s PHE 154 CO 0.03 0.02 -0.20 -1.58 0.70 0.00 0.00 175.22 174.19 1iru s HIS 155 N -0.83 2.50 -0.13 0.36 5.65 0.13 -0.66 115.29 122.31 1iru s HIS 155 Ca 0.01 -0.30 -0.07 0.00 0.25 0.00 0.00 55.06 54.95 1iru s HIS 155 Cb -0.08 -1.47 0.05 0.00 -1.18 0.00 0.00 32.58 29.90 1iru s HIS 155 CO 0.01 0.19 0.32 1.41 -0.65 0.00 0.00 174.74 176.02 1iru s MET 156 N -1.23 0.30 0.33 2.88 0.00 -0.66 -1.41 119.30 119.51 1iru s MET 156 Ca 0.13 0.63 0.02 0.00 0.00 0.00 0.00 55.69 56.47 1iru s MET 156 Cb -0.10 -0.06 0.02 0.00 0.00 0.00 0.00 34.83 34.69 1iru s MET 156 CO 0.03 -0.15 0.16 -0.40 0.00 0.00 0.00 175.02 174.66 1iru n ASP 157 N 4.13 2.38 0.31 1.11 3.85 -1.11 -0.20 116.55 127.01 1iru n ASP 157 Ca -0.23 -2.24 0.19 0.00 -0.71 0.00 0.00 54.79 51.79 1iru n ASP 157 Cb 0.54 0.07 0.98 0.00 -1.35 0.00 0.00 41.12 41.37 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 -2.71 132.00 127.70 1iru h PRO 158 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1iru h PRO 158 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1iru h PRO 158 CO 0.37 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 1iru n SER 159 N -3.29 0.36 0.00 -2.05 3.41 -1.26 -4.71 113.62 106.08 1iru n SER 159 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1iru n SER 159 Cb 0.15 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 0.80 3.77 5.00 0.00 -1.02 -4.73 105.19 108.64 1iru n GLY 160 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.46 3.85 0.00 2.61 2.01 -1.26 -4.83 115.64 115.57 1iru s THR 161 Ca 0.00 1.62 -0.11 0.00 0.31 0.00 0.00 61.69 63.51 1iru s THR 161 Cb 0.00 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.58 1iru s THR 161 CO 0.00 0.21 0.23 0.72 -0.69 0.00 0.00 174.62 175.09 1iru s PHE 162 N -1.45 -0.06 0.24 4.92 -0.12 -1.26 -2.77 117.98 117.48 1iru s PHE 162 Ca 0.50 0.02 -0.17 0.00 -0.05 0.00 0.00 56.93 57.22 1iru s PHE 162 Cb -0.24 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 1iru s PHE 162 CO 0.31 -0.37 0.57 0.54 -0.05 0.00 0.00 175.22 176.22 1iru s VAL 163 N -1.61 0.01 0.14 -2.49 0.11 -0.50 -4.97 120.40 111.09 1iru s VAL 163 Ca -0.12 -1.02 -0.08 0.00 -2.93 0.00 0.00 61.98 57.82 1iru s VAL 163 Cb -0.05 -1.88 -0.06 0.00 -1.53 0.00 0.00 36.38 32.86 1iru s VAL 163 CO 0.02 -0.05 0.44 -1.58 -3.33 0.00 0.00 175.10 170.59 1iru s GLN 164 N -3.93 3.74 0.01 1.54 0.74 -1.26 -0.69 119.66 119.80 1iru s GLN 164 Ca 0.14 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.68 1iru s GLN 164 Cb -0.02 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 1iru s GLN 164 CO 0.03 0.47 -0.02 0.00 -0.55 0.00 0.00 175.29 175.23 1iru h ASP 166 N 5.53 0.66 -4.37 0.00 3.32 -1.91 -3.38 116.42 116.27 1iru h ASP 166 Ca -0.28 -0.36 -0.08 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 40.36 1iru h ASP 166 CO 0.47 1.09 -0.04 0.00 -1.72 0.00 0.00 179.24 179.03 1iru s ALA 167 N -3.98 -1.36 -0.02 3.45 0.00 -1.26 0.11 121.76 118.70 1iru s ALA 167 Ca -0.08 1.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 1iru s ALA 167 Cb 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.75 1iru s ALA 167 CO 0.85 -0.29 0.49 0.50 0.00 0.00 0.00 175.76 177.31 1iru s ARG 168 N -0.34 0.89 0.00 0.00 6.06 0.41 -4.99 118.95 120.99 1iru s ARG 168 Ca -0.05 -0.03 0.03 0.00 -2.50 0.00 0.00 55.73 53.19 1iru s ARG 168 Cb -0.03 0.41 -0.01 0.00 0.06 0.00 0.00 34.95 35.38 1iru s ARG 168 CO 0.04 -0.28 -0.11 0.00 -2.50 0.00 0.00 175.30 172.45 1iru s ALA 169 N -1.51 0.91 0.10 6.12 0.00 -1.26 -0.50 121.76 125.62 1iru s ALA 169 Ca -0.11 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.34 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 0.00 175.76 176.89 1iru s ILE 170 N -0.43 0.85 0.00 0.00 -4.36 -0.20 -4.81 121.20 112.25 1iru s ILE 170 Ca 0.03 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1iru s ILE 170 Cb -0.05 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.15 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 0.27 -0.45 0.20 6.27 0.00 -1.26 -0.37 105.19 109.85 1iru n GLY 171 Ca -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 46.02 43.58 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 0.38 -0.12 1.61 4.64 -1.48 -2.18 113.55 116.40 1iru h SER 172 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1iru h SER 172 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1iru h SER 172 CO 0.00 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1iru n ALA 173 N -2.30 2.51 -0.40 5.18 0.00 -1.26 -4.48 120.51 119.76 1iru n ALA 173 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1iru n ALA 173 Cb 0.11 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1iru n ALA 173 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iru h SER 174 N 0.85 -1.94 -0.23 0.00 0.87 -1.63 0.19 113.55 111.67 1iru h SER 174 Ca 0.00 0.32 0.06 0.00 -1.23 0.00 0.00 61.79 60.94 1iru h SER 174 Cb 0.19 0.89 -0.07 0.00 -0.44 0.00 0.00 62.40 62.97 1iru h SER 174 CO 0.00 -0.25 -0.30 -0.33 -0.53 0.00 0.00 176.83 175.41 1iru h GLU 175 N -0.01 -0.31 0.85 2.24 5.08 -1.83 0.64 114.58 121.24 1iru h GLU 175 Ca 0.21 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1iru h GLU 175 Cb 0.47 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1iru h GLU 175 CO -0.95 -0.21 -0.41 0.78 -1.00 0.00 0.00 179.01 177.23 1iru h GLY 176 N -0.32 -1.20 -0.50 -3.84 0.00 -1.65 -2.70 103.07 92.87 1iru h GLY 176 Ca 0.13 0.44 0.23 0.00 0.00 0.00 0.00 47.33 48.13 1iru h GLY 176 CO -0.41 -0.44 0.19 0.00 0.00 0.00 0.00 176.54 175.89 1iru h ALA 177 N -1.03 1.22 -0.21 3.60 0.00 -0.38 0.27 119.26 122.74 1iru h ALA 177 Ca -0.12 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1iru h ALA 177 Cb 0.88 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1iru h ALA 177 CO 0.19 -0.48 -0.21 0.37 0.00 0.00 0.00 179.25 179.12 1iru h GLN 178 N 0.17 0.37 -0.22 0.00 5.75 -0.80 -0.69 115.11 119.69 1iru h GLN 178 Ca 0.55 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.92 1iru h GLN 178 Cb 1.10 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1iru h GLN 178 CO -0.69 0.57 0.11 1.03 -2.65 0.00 0.00 178.83 177.20 1iru h SER 179 N 0.33 0.28 -0.39 -0.69 0.87 -0.15 -0.95 113.55 112.86 1iru h SER 179 Ca 0.06 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1iru h SER 179 Cb 0.57 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1iru h SER 179 CO 0.04 0.32 0.20 0.28 -0.53 0.00 0.00 176.83 177.14 1iru h SER 180 N 0.22 0.50 -0.61 6.23 0.02 -1.08 -2.38 113.55 116.45 1iru h SER 180 Ca 0.07 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1iru h SER 180 Cb 0.11 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1iru h SER 180 CO -0.01 0.47 0.40 -0.07 -1.14 0.00 0.00 176.83 176.48 1iru h LEU 181 N 0.49 0.58 -0.91 5.07 3.38 -0.85 -0.48 115.31 122.59 1iru h LEU 181 Ca 0.13 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1iru h LEU 181 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1iru h LEU 181 CO -0.02 0.39 -0.42 1.56 0.09 0.00 0.00 178.44 180.05 1iru h GLN 182 N 0.67 0.27 -0.15 1.13 4.20 -0.70 -0.38 115.11 120.15 1iru h GLN 182 Ca 0.25 -0.13 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 1iru h GLN 182 Cb 0.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1iru h GLN 182 CO -0.07 0.64 -0.69 0.93 -0.67 0.00 0.00 178.83 178.97 1iru h GLU 183 N 0.22 0.61 0.00 1.46 5.08 -0.67 -3.36 114.58 117.93 1iru h GLU 183 Ca 0.02 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 1iru h GLU 183 Cb 0.83 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1iru h GLU 183 CO 0.07 1.08 -1.55 1.28 -1.00 0.00 0.00 179.01 178.89 1iru n LEU 184 N -3.91 0.72 -4.77 1.33 4.32 -0.42 -4.98 117.00 109.29 1iru n LEU 184 Ca -0.05 0.32 -0.41 0.00 -0.02 0.00 0.00 56.01 55.85 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 0.17 1.10 -0.47 -1.22 0.00 0.00 177.39 177.47 1iru s TYR 185 N -2.92 2.74 -0.06 -1.77 5.04 -0.17 -5.02 117.35 115.19 1iru s TYR 185 Ca -0.04 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.80 1iru s TYR 185 Cb 0.09 -3.93 0.02 0.00 0.35 0.00 0.00 41.96 38.48 1iru s TYR 185 CO 0.82 -2.74 -0.09 -1.01 -1.34 0.00 0.00 175.55 171.19 1iru s HIS 186 N -0.99 1.21 -0.29 4.97 3.76 -1.26 -5.00 115.29 117.69 1iru s HIS 186 Ca 0.53 -0.44 0.19 0.00 -0.15 0.00 0.00 55.06 55.19 1iru s HIS 186 Cb -0.45 -0.94 1.01 0.00 1.11 0.00 0.00 32.58 33.31 1iru s HIS 186 CO 0.58 -0.27 1.56 0.36 -0.85 0.00 0.00 174.74 176.13 1iru n LYS 187 N 4.02 0.12 -0.04 1.40 0.00 -1.26 -1.63 118.16 120.77 1iru n LYS 187 Ca -0.22 0.62 0.02 0.00 -0.00 0.00 0.00 58.31 58.72 1iru n LYS 187 Cb 0.51 -1.91 0.04 0.00 -0.00 0.00 0.00 35.03 33.67 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 -2.15 2.04 -3.12 -5.58 3.41 -1.26 -4.86 113.62 102.10 1iru n SER 188 Ca -0.01 -1.80 -0.18 0.00 -0.26 0.00 0.00 58.87 56.62 1iru n SER 188 Cb 0.04 -0.05 0.16 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.11 -2.99 -4.41 4.33 3.85 -0.64 -5.03 117.12 112.12 1iru n MET 189 Ca 0.03 -0.93 -0.20 0.00 -1.00 0.00 0.00 57.70 55.59 1iru n MET 189 Cb 0.25 -1.03 -0.10 0.00 -1.05 0.00 0.00 33.22 31.29 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 -1.89 1.67 0.59 3.17 -4.23 -1.26 -4.63 115.64 109.06 1iru s THR 190 Ca 0.40 -2.15 0.29 0.00 -1.18 0.00 0.00 61.69 59.05 1iru s THR 190 Cb -0.05 -2.34 0.35 0.00 1.34 0.00 0.00 72.50 71.80 1iru s THR 190 CO 0.32 -0.38 2.19 0.25 -0.54 0.00 0.00 174.62 176.46 1iru h LEU 191 N 2.36 0.00 0.05 4.79 5.85 -1.89 0.83 115.31 127.29 1iru h LEU 191 Ca -0.39 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 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 0.66 0.00 -0.02 0.11 -0.34 0.00 0.00 178.44 178.84 1iru h LYS 192 N 0.00 -0.06 -0.46 1.25 6.56 -1.98 -2.54 116.57 119.34 1iru h LYS 192 Ca 0.04 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1iru h LYS 192 Cb 0.21 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 1iru h LYS 192 CO -0.00 0.56 0.30 0.93 -2.06 0.00 0.00 179.45 179.18 1iru h GLU 193 N -0.77 0.59 -0.13 3.15 5.08 -1.58 -2.88 114.58 118.05 1iru h GLU 193 Ca -0.01 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1iru h GLU 193 Cb 0.64 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 1iru h GLU 193 CO 0.01 0.39 -0.30 0.00 -1.00 0.00 0.00 179.01 178.11 1iru h ALA 194 N 1.18 -0.33 -0.80 3.43 0.00 0.56 -1.19 119.26 122.11 1iru h ALA 194 Ca 0.17 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1iru h ALA 194 Cb -0.06 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1iru h ALA 194 CO -0.05 -0.77 0.52 0.82 0.00 0.00 0.00 179.25 179.78 1iru h ILE 195 N -0.37 1.13 0.08 0.00 2.04 -1.36 -1.57 117.51 117.46 1iru h ILE 195 Ca 0.10 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1iru h ILE 195 Cb 0.52 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1iru h ILE 195 CO -0.34 0.18 -0.04 0.50 0.00 0.00 0.00 178.15 178.45 1iru h LYS 196 N 0.98 -0.10 -0.08 2.37 3.64 -1.16 -2.49 116.57 119.72 1iru h LYS 196 Ca 0.32 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1iru h LYS 196 Cb 0.04 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1iru h LYS 196 CO -0.09 0.07 -0.25 0.77 -2.27 0.00 0.00 179.45 177.68 1iru h SER 197 N -0.26 -0.75 -0.72 4.20 0.02 -0.78 0.55 113.55 115.81 1iru h SER 197 Ca -0.01 0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.18 1iru h SER 197 Cb 0.22 0.32 -0.13 0.00 0.14 0.00 0.00 62.40 62.95 1iru h SER 197 CO 0.02 -0.30 -0.32 0.28 -1.14 0.00 0.00 176.83 175.36 1iru h SER 198 N -0.34 -1.14 -0.09 3.07 0.02 -1.16 0.16 113.55 114.06 1iru h SER 198 Ca 0.09 0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1iru h SER 198 Cb 0.46 0.60 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1iru h SER 198 CO -0.28 -0.29 -0.34 -0.07 -1.14 0.00 0.00 176.83 174.72 1iru h LEU 199 N -0.10 0.61 -0.08 5.07 3.38 -1.02 0.21 115.31 123.37 1iru h LEU 199 Ca 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iru h LEU 199 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1iru h LEU 199 CO -0.77 0.90 0.04 0.40 0.09 0.00 0.00 178.44 179.10 1iru h ILE 200 N 0.49 1.00 -0.17 1.22 2.04 0.14 0.26 117.51 122.49 1iru h ILE 200 Ca 0.06 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1iru h ILE 200 Cb 0.82 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1iru h ILE 200 CO 0.07 0.02 -0.27 0.40 0.00 0.00 0.00 178.15 178.36 1iru h ILE 201 N 0.09 1.35 -0.80 -0.67 2.04 -0.75 -2.59 117.51 116.17 1iru h ILE 201 Ca 0.03 -1.50 0.05 0.00 1.00 0.00 0.00 64.86 64.44 1iru h ILE 201 Cb -0.00 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1iru h ILE 201 CO -0.02 0.45 0.50 0.25 0.00 0.00 0.00 178.15 179.33 1iru h LEU 202 N 0.14 0.79 -0.60 1.44 5.85 -0.46 -1.54 115.31 120.93 1iru h LEU 202 Ca 0.01 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1iru h LEU 202 Cb 0.85 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1iru h LEU 202 CO 0.06 0.52 0.34 0.50 -0.34 0.00 0.00 178.44 179.53 1iru h LYS 203 N 0.93 0.64 0.03 1.25 3.64 -0.40 -1.82 116.57 120.84 1iru h LYS 203 Ca 0.34 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1iru h LYS 203 Cb 0.11 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1iru h LYS 203 CO -0.15 0.42 -0.02 1.96 -2.27 0.00 0.00 179.45 179.39 1iru h GLN 204 N 0.66 -0.05 -0.55 1.90 4.20 -0.89 -3.22 115.11 117.16 1iru h GLN 204 Ca 0.26 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.12 1iru h GLN 204 Cb 0.10 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1iru h GLN 204 CO -0.14 -0.03 0.39 -0.39 -0.67 0.00 0.00 178.83 177.99 1iru h VAL 205 N -0.05 0.75 -3.81 -0.54 -1.51 -1.41 -3.43 116.25 106.24 1iru h VAL 205 Ca -0.00 -0.02 -0.53 0.00 -1.23 0.00 0.00 66.70 64.91 1iru h VAL 205 Cb 0.04 0.68 0.09 0.00 -2.13 0.00 0.00 31.29 29.97 1iru h VAL 205 CO -0.00 0.01 0.74 -0.04 -1.23 0.00 0.00 177.57 177.05 1iru s MET 206 N -5.07 4.21 0.36 5.19 -1.94 -0.69 -4.89 119.30 116.47 1iru s MET 206 Ca -0.05 2.43 0.19 0.00 -1.71 0.00 0.00 55.69 56.54 1iru s MET 206 Cb 0.20 -3.02 0.43 0.00 2.01 0.00 0.00 34.83 34.45 1iru s MET 206 CO 0.74 -0.41 1.61 1.49 -0.01 0.00 0.00 175.02 178.44 1iru h GLU 207 N 3.49 0.00 -6.18 2.03 4.81 -1.89 -3.45 114.58 113.40 1iru h GLU 207 Ca -0.49 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 0.67 0.34 -0.48 -1.21 -0.73 0.00 0.00 179.01 177.61 1iru s GLU 208 N -3.27 3.22 0.02 1.92 2.02 -1.26 -5.06 118.70 116.29 1iru s GLU 208 Ca 0.03 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 1iru s GLU 208 Cb 0.08 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.49 1iru s GLU 208 CO 0.69 0.43 1.40 0.15 0.02 0.00 0.00 175.26 177.96 1iru s LYS 209 N -3.78 4.29 -0.46 1.61 3.01 -1.26 -4.90 119.74 118.25 1iru s LYS 209 Ca 0.33 1.98 -0.31 0.00 -1.01 0.00 0.00 55.97 56.96 1iru s LYS 209 Cb -0.09 -3.53 -0.11 0.00 -1.01 0.00 0.00 37.83 33.09 1iru s LYS 209 CO 0.27 -0.56 2.32 -0.11 0.51 0.00 0.00 175.35 177.79 1iru n LEU 210 N 5.19 2.06 -5.00 3.17 7.94 -1.26 -4.96 117.00 124.14 1iru n LEU 210 Ca 0.13 0.12 -0.17 0.00 -1.11 0.00 0.00 56.01 54.97 1iru n LEU 210 Cb 0.43 -1.33 0.01 0.00 0.53 0.00 0.00 43.42 43.06 1iru n LEU 210 CO 0.59 -0.94 0.15 0.20 -1.11 0.00 0.00 177.39 176.27 1iru s ASN 211 N 8.94 5.62 0.00 1.96 0.02 -1.26 -4.98 114.94 125.24 1iru s ASN 211 Ca 1.09 -0.44 0.28 0.00 -1.02 0.00 0.00 52.86 52.77 1iru s ASN 211 Cb -0.67 -0.64 1.05 0.00 0.02 0.00 0.00 41.25 41.01 1iru s ASN 211 CO 0.41 -0.77 1.74 0.00 0.02 0.00 0.00 177.10 178.51 1iru n ALA 212 N -1.84 2.71 -0.01 0.60 0.00 -1.26 -3.43 120.51 117.28 1iru n ALA 212 Ca 0.08 -0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.14 1iru n ALA 212 Cb 0.59 -1.19 0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.17 0.75 -1.58 0.00 -2.24 -1.26 -4.55 114.28 105.23 1iru n THR 213 Ca 0.17 -0.87 0.06 0.00 -2.27 0.00 0.00 64.05 61.14 1iru n THR 213 Cb 0.33 0.66 0.13 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.16 1.62 -3.68 3.42 5.15 -1.22 -4.85 115.26 115.85 1iru n ASN 214 Ca 0.06 -3.10 -0.12 0.00 -0.60 0.00 0.00 54.58 50.81 1iru n ASN 214 Cb 0.30 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 39.07 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 -2.25 0.06 -0.03 -1.44 -4.36 -1.26 -1.89 121.20 110.04 1iru s ILE 215 Ca 0.30 -0.51 0.06 0.00 -0.26 0.00 0.00 60.65 60.23 1iru s ILE 215 Cb 0.29 -0.96 -0.01 0.00 1.25 0.00 0.00 42.46 43.03 1iru s ILE 215 CO -0.04 -0.28 -0.20 -1.61 0.24 0.00 0.00 174.94 173.05 1iru s GLU 216 N -2.56 1.90 -0.00 0.37 2.02 -0.24 -4.89 118.70 115.30 1iru s GLU 216 Ca -0.05 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1iru s GLU 216 Cb -0.01 -1.71 -0.00 0.00 0.10 0.00 0.00 34.13 32.51 1iru s GLU 216 CO -0.03 0.36 -0.04 -1.17 0.02 0.00 0.00 175.26 174.40 1iru s LEU 217 N -0.22 1.96 0.05 1.80 1.98 -1.26 -1.48 118.68 121.51 1iru s LEU 217 Ca 0.01 -0.07 -0.16 0.00 -2.89 0.00 0.00 54.13 51.02 1iru s LEU 217 Cb -0.10 -0.21 0.03 0.00 0.66 0.00 0.00 46.19 46.56 1iru s LEU 217 CO 0.01 0.04 0.36 0.00 -1.89 0.00 0.00 176.35 174.87 1iru s ALA 218 N -0.02 -0.84 0.16 5.97 0.00 -0.57 -0.61 121.76 125.85 1iru s ALA 218 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1iru s ALA 218 Cb -0.02 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1iru s ALA 218 CO -0.00 -0.44 0.04 0.95 0.00 0.00 0.00 175.76 176.31 1iru s THR 219 N -2.56 0.37 -0.13 0.00 -4.23 -0.50 -0.44 115.64 108.15 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 0.00 174.62 173.23 1iru s VAL 220 N -3.87 -0.31 0.12 2.29 1.01 0.02 -0.84 120.40 118.82 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 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1iru s VAL 220 CO 0.04 0.10 -0.14 0.00 0.00 0.00 0.00 175.10 175.09 1iru s GLN 221 N 2.07 1.04 0.58 2.72 -2.07 -0.99 0.09 119.66 123.09 1iru s GLN 221 Ca -0.02 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 52.28 1iru s GLN 221 Cb -0.11 -0.94 0.00 0.00 -1.09 0.00 0.00 33.01 30.86 1iru s GLN 221 CO -0.09 0.18 0.94 -2.30 -1.32 0.00 0.00 175.29 172.70 1iru n PRO 222 N 0.55 0.03 -0.00 9.60 -0.02 -1.26 -2.34 135.00 141.55 1iru n PRO 222 Ca -0.16 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.12 1iru n PRO 222 Cb 0.57 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.44 -0.17 3.73 -1.23 0.00 -1.26 -5.03 105.19 99.79 1iru n GLY 223 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.24 4.64 0.29 1.61 -0.21 -0.99 -5.03 119.66 117.73 1iru s GLN 224 Ca -0.09 1.52 -0.28 0.00 0.02 0.00 0.00 55.36 56.53 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 0.13 0.12 0.99 -0.80 -2.12 0.00 0.00 175.29 173.61 1iru s ASN 225 N 0.20 7.39 0.00 5.90 0.01 -1.26 -2.35 114.94 124.83 1iru s ASN 225 Ca 0.49 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.65 1iru s ASN 225 Cb -0.25 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.81 1iru s ASN 225 CO 0.30 -0.04 0.00 0.33 -1.51 0.00 0.00 177.10 176.19 1iru n PHE 226 N 1.04 0.00 -3.76 2.20 7.35 -0.00 -4.92 117.46 119.36 1iru n PHE 226 Ca -0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1iru n PHE 226 Cb 0.47 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.13 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 0.24 -0.59 -5.13 5.65 -0.02 -5.00 115.29 110.43 1iru s HIS 227 Ca 0.00 0.10 -0.21 0.00 0.25 0.00 0.00 55.06 55.20 1iru s HIS 227 Cb 0.00 -0.50 0.08 0.00 -1.18 0.00 0.00 32.58 30.98 1iru s HIS 227 CO 0.00 -0.19 0.80 1.41 -0.65 0.00 0.00 174.74 176.11 1iru s MET 228 N 1.74 3.11 0.15 2.88 1.75 -1.26 -1.41 119.30 126.27 1iru s MET 228 Ca 0.00 -0.95 -0.32 0.00 -1.25 0.00 0.00 55.69 53.17 1iru s MET 228 Cb -0.13 -4.19 -0.18 0.00 2.84 0.00 0.00 34.83 33.17 1iru s MET 228 CO -0.03 -1.56 0.74 1.19 -0.65 0.00 0.00 175.02 174.71 1iru n PHE 229 N 6.88 0.04 -1.94 4.11 3.01 0.22 -4.96 117.46 124.82 1iru n PHE 229 Ca -0.06 0.96 -0.29 0.00 1.01 0.00 0.00 57.45 59.07 1iru n PHE 229 Cb 0.45 -2.03 0.07 0.00 -0.01 0.00 0.00 39.48 37.95 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 -0.67 2.53 0.45 4.37 -4.23 -1.26 -4.78 115.64 112.04 1iru s THR 230 Ca 0.72 0.11 0.12 0.00 -1.18 0.00 0.00 61.69 61.46 1iru s THR 230 Cb -1.00 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 69.97 1iru s THR 230 CO 0.56 -0.20 2.06 0.07 -0.54 0.00 0.00 174.62 176.57 1iru h LYS 231 N -0.86 0.33 0.09 3.99 -0.00 -1.93 -2.34 116.57 115.85 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 1.30 -0.07 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 0.00 179.45 181.20 1iru h GLU 232 N 0.34 -0.12 -0.01 0.07 3.07 -1.94 -3.10 114.58 112.88 1iru h GLU 232 Ca 0.15 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1iru h GLU 232 Cb 0.19 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1iru h GLU 232 CO -0.03 0.39 0.38 0.93 -1.40 0.00 0.00 179.01 179.27 1iru h GLU 233 N -0.90 0.00 0.20 2.33 5.08 -1.87 0.59 114.58 120.01 1iru h GLU 233 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1iru h GLU 233 Cb 0.56 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.84 1iru h GLU 233 CO 0.02 0.00 -1.22 -0.07 -1.00 0.00 0.00 179.01 176.74 1iru h LEU 234 N 0.00 0.73 -0.50 1.33 3.38 -1.45 -3.08 115.31 115.73 1iru h LEU 234 Ca 0.01 -0.92 0.07 0.00 0.09 0.00 0.00 57.88 57.13 1iru h LEU 234 Cb 0.76 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1iru h LEU 234 CO -0.00 1.59 0.18 -0.33 0.09 0.00 0.00 178.44 179.97 1iru h GLU 235 N -0.01 0.34 -0.99 1.13 4.39 0.21 0.44 114.58 120.09 1iru h GLU 235 Ca -0.21 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.57 1iru h GLU 235 Cb 1.96 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 30.45 1iru h GLU 235 CO 0.23 0.23 0.63 0.93 -1.16 0.00 0.00 179.01 179.86 1iru h GLU 236 N 0.35 1.02 0.14 2.33 5.08 -1.29 0.20 114.58 122.42 1iru h GLU 236 Ca 0.24 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 58.21 1iru h GLU 236 Cb 0.25 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1iru h GLU 236 CO -0.24 0.67 -1.69 0.28 -1.00 0.00 0.00 179.01 177.03 1iru h VAL 237 N 1.05 0.98 0.00 3.13 2.07 -1.29 -3.30 116.25 118.89 1iru h VAL 237 Ca 0.47 -2.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 1iru h VAL 237 Cb 0.36 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 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 0.08 0.58 -1.02 4.57 2.04 0.09 -2.45 117.51 121.41 1iru h ILE 238 Ca -0.31 -0.63 0.30 0.00 1.00 0.00 0.00 64.86 65.21 1iru h ILE 238 Cb 2.06 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 1iru h ILE 238 CO 0.16 0.14 0.74 0.50 0.00 0.00 0.00 178.15 179.68 1iru h LYS 239 N 0.00 0.00 -1.27 2.37 3.64 -0.68 -0.18 116.57 120.46 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 0.40 -0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.92 1iru h LYS 239 CO 0.02 0.00 0.77 -0.25 -2.27 0.00 0.00 179.45 177.73 1iru n ASP 240 N -4.23 7.40 0.00 4.20 8.00 -0.92 -5.12 116.55 125.88 1iru n ASP 240 Ca 0.22 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.92 1iru n ASP 240 Cb 1.08 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1iru n ASP 240 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43