#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3r n LYS 2 N 0.00 -4.97 -2.10 6.28 5.02 -1.26 -4.69 118.16 116.45 1i3r n LYS 2 Ca 0.00 3.60 -0.28 0.00 -2.02 0.00 0.00 58.31 59.61 1i3r n LYS 2 Cb 0.00 -4.53 -0.05 0.00 -0.02 0.00 0.00 35.03 30.43 1i3r n LYS 2 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i3r s GLU 3 N -0.57 2.65 -0.17 1.97 0.41 -1.26 -4.93 118.70 116.80 1i3r s GLU 3 Ca 0.00 -0.40 -0.05 0.00 -0.41 0.00 0.00 54.97 54.10 1i3r s GLU 3 Cb 0.00 -5.10 -0.03 0.00 -1.78 0.00 0.00 34.13 27.22 1i3r s GLU 3 CO 0.00 -3.29 0.01 -1.21 -0.49 0.00 0.00 175.26 170.28 1i3r s GLU 4 N 6.79 3.78 0.07 1.61 2.02 -1.26 -5.09 118.70 126.62 1i3r s GLU 4 Ca 0.68 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 55.14 1i3r s GLU 4 Cb -0.06 -3.06 -0.00 0.00 0.10 0.00 0.00 34.13 31.11 1i3r s GLU 4 CO -0.01 0.22 0.17 -1.01 0.02 0.00 0.00 175.26 174.65 1i3r s HIS 5 N 0.46 0.17 -0.05 1.61 3.76 -1.26 -5.10 115.29 114.87 1i3r s HIS 5 Ca -0.01 -0.56 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 1i3r s HIS 5 Cb -0.14 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1i3r s HIS 5 CO 0.02 -0.50 -0.15 0.99 -0.85 0.00 0.00 174.74 174.25 1i3r s THR 6 N -3.56 1.27 -0.09 1.30 2.01 -1.26 -5.00 115.64 110.31 1i3r s THR 6 Ca 0.03 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1i3r s THR 6 Cb 0.04 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.42 1i3r s THR 6 CO -0.09 0.38 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.36 1i3r s ILE 7 N 0.34 1.95 -0.01 1.82 1.01 -1.26 0.07 121.20 125.12 1i3r s ILE 7 Ca -0.09 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1i3r s ILE 7 Cb -0.13 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1i3r s ILE 7 CO 0.03 0.54 -0.09 -0.63 0.00 0.00 0.00 174.94 174.79 1i3r s ILE 8 N 0.30 0.71 -0.26 2.92 1.01 0.31 -4.95 121.20 121.24 1i3r s ILE 8 Ca -0.16 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1i3r s ILE 8 Cb -0.17 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1i3r s ILE 8 CO 0.08 0.20 0.04 -1.58 0.00 0.00 0.00 174.94 173.68 1i3r s GLN 9 N -0.13 3.35 -0.09 2.79 0.74 -1.26 0.17 119.66 125.23 1i3r s GLN 9 Ca 0.02 -0.67 0.04 0.00 0.05 0.00 0.00 55.36 54.80 1i3r s GLN 9 Cb -0.04 -3.24 -0.00 0.00 1.10 0.00 0.00 33.01 30.83 1i3r s GLN 9 CO -0.00 -0.29 -0.22 0.00 -0.55 0.00 0.00 175.29 174.23 1i3r s ALA 10 N 1.52 2.01 -0.01 1.58 0.00 0.27 -4.99 121.76 122.14 1i3r s ALA 10 Ca 0.05 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1i3r s ALA 10 Cb -0.16 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1i3r s ALA 10 CO 0.01 0.29 0.19 1.14 0.00 0.00 0.00 175.76 177.39 1i3r s GLN 11 N 0.29 0.50 0.24 0.00 -2.07 -1.26 -0.94 119.66 116.42 1i3r s GLN 11 Ca -0.15 -0.24 -0.15 0.00 -1.82 0.00 0.00 55.36 53.00 1i3r s GLN 11 Cb -0.17 0.21 0.01 0.00 -1.09 0.00 0.00 33.01 31.97 1i3r s GLN 11 CO 0.07 -0.12 0.54 -0.59 -1.32 0.00 0.00 175.29 173.87 1i3r s PHE 12 N -1.14 0.16 -0.04 9.60 -0.12 -0.76 -4.98 117.98 120.69 1i3r s PHE 12 Ca -0.12 -0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1i3r s PHE 12 Cb -0.06 0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1i3r s PHE 12 CO 0.02 -1.03 0.09 -0.47 -0.05 0.00 0.00 175.22 173.78 1i3r s TYR 13 N -3.97 -0.08 -0.04 3.49 5.04 -1.26 -2.09 117.35 118.43 1i3r s TYR 13 Ca 0.18 0.31 0.05 0.00 -2.44 0.00 0.00 57.07 55.17 1i3r s TYR 13 Cb -0.02 -0.11 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 1i3r s TYR 13 CO 0.07 -0.11 -0.21 -1.17 -1.34 0.00 0.00 175.55 172.79 1i3r s LEU 14 N 0.88 2.00 0.14 6.97 2.96 0.21 -4.97 118.68 126.87 1i3r s LEU 14 Ca -0.07 -0.41 0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1i3r s LEU 14 Cb -0.09 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1i3r s LEU 14 CO -0.04 0.21 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.23 1i3r s LEU 15 N -0.17 2.37 -0.00 -0.68 1.43 -1.26 1.00 118.68 121.37 1i3r s LEU 15 Ca -0.00 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1i3r s LEU 15 Cb -0.11 -0.95 0.10 0.00 0.03 0.00 0.00 46.19 45.26 1i3r s LEU 15 CO 0.02 0.05 1.06 -0.81 0.23 0.00 0.00 176.35 176.90 1i3r n PRO 16 N 0.64 1.27 0.24 1.29 -0.04 -1.26 -4.87 135.00 132.27 1i3r n PRO 16 Ca -0.16 -0.40 0.09 0.00 -0.04 0.00 0.00 63.50 62.99 1i3r n PRO 16 Cb 0.55 -1.11 0.59 0.00 -0.04 0.00 0.00 33.50 33.49 1i3r n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1i3r h ASP 17 N 0.65 0.00 -5.25 3.54 5.19 -2.01 -3.46 116.42 115.08 1i3r h ASP 17 Ca 0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1i3r h ASP 17 Cb 0.18 0.00 0.14 0.00 0.18 0.00 0.00 39.33 39.82 1i3r h ASP 17 CO 0.00 0.20 -0.64 0.29 -3.12 0.00 0.00 179.24 175.97 1i3r n LYS 18 N -3.77 -6.51 -4.50 3.56 5.02 0.28 -5.01 118.16 107.22 1i3r n LYS 18 Ca -0.02 0.74 -0.31 0.00 -2.02 0.00 0.00 58.31 56.70 1i3r n LYS 18 Cb 0.30 -5.48 -0.11 0.00 -0.02 0.00 0.00 35.03 29.72 1i3r n LYS 18 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1i3r s ARG 19 N -5.73 2.34 0.04 1.97 1.81 -0.90 -4.93 118.95 113.56 1i3r s ARG 19 Ca 0.28 -0.85 -0.06 0.00 -1.72 0.00 0.00 55.73 53.39 1i3r s ARG 19 Cb -0.13 -2.37 -0.01 0.00 -0.45 0.00 0.00 34.95 31.99 1i3r s ARG 19 CO 0.64 0.57 0.10 0.20 -0.68 0.00 0.00 175.30 176.14 1i3r s GLY 20 N -1.53 0.18 0.03 -3.53 0.00 -1.26 0.65 107.32 101.85 1i3r s GLY 20 Ca 0.17 -0.58 -0.14 0.00 0.00 0.00 0.00 44.72 44.17 1i3r s GLY 20 CO 0.08 -0.72 0.30 -0.54 0.00 0.00 0.00 173.10 172.22 1i3r s GLU 21 N -2.79 0.77 -0.05 2.90 2.02 -0.89 -4.58 118.70 116.08 1i3r s GLU 21 Ca -0.03 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1i3r s GLU 21 Cb -0.00 0.33 0.04 0.00 0.10 0.00 0.00 34.13 34.60 1i3r s GLU 21 CO -0.05 -0.24 0.10 0.12 0.02 0.00 0.00 175.26 175.20 1i3r s PHE 22 N -2.22 -0.06 0.09 1.61 5.36 -1.26 -1.84 117.98 119.67 1i3r s PHE 22 Ca -0.07 0.36 -0.13 0.00 -0.96 0.00 0.00 56.93 56.14 1i3r s PHE 22 Cb -0.02 -0.28 0.02 0.00 -0.34 0.00 0.00 43.02 42.40 1i3r s PHE 22 CO -0.01 -0.18 0.29 0.00 -1.46 0.00 0.00 175.22 173.86 1i3r s MET 23 N 1.72 0.90 0.12 10.12 0.23 -0.11 -0.60 119.30 131.68 1i3r s MET 23 Ca -0.02 -0.74 0.07 0.00 -1.03 0.00 0.00 55.69 53.97 1i3r s MET 23 Cb -0.12 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1i3r s MET 23 CO -0.04 -0.31 -0.09 -0.06 -2.03 0.00 0.00 175.02 172.49 1i3r s PHE 24 N -3.44 2.75 -0.01 3.16 0.40 -0.39 -0.57 117.98 119.87 1i3r s PHE 24 Ca 0.01 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1i3r s PHE 24 Cb 0.02 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.14 1i3r s PHE 24 CO -0.09 0.45 -0.02 0.34 0.70 0.00 0.00 175.22 176.59 1i3r s ASP 25 N -2.34 0.33 -0.23 1.36 -1.08 0.13 -0.90 116.67 113.93 1i3r s ASP 25 Ca 0.22 -0.05 0.02 0.00 -0.52 0.00 0.00 52.55 52.23 1i3r s ASP 25 Cb -0.11 -0.06 0.05 0.00 -1.46 0.00 0.00 42.92 41.34 1i3r s ASP 25 CO 0.14 0.01 -0.13 0.12 0.52 0.00 0.00 175.17 175.84 1i3r s PHE 26 N 0.09 2.96 -1.51 -5.34 5.36 0.35 -0.53 117.98 119.35 1i3r s PHE 26 Ca -0.01 -2.00 -0.14 0.00 -0.96 0.00 0.00 56.93 53.82 1i3r s PHE 26 Cb -0.03 -1.86 0.11 0.00 -0.34 0.00 0.00 43.02 40.90 1i3r s PHE 26 CO -0.00 -0.83 0.74 -0.25 -1.46 0.00 0.00 175.22 173.41 1i3r n ASP 27 N 4.53 -3.90 0.00 6.13 8.00 0.11 -0.83 116.55 130.60 1i3r n ASP 27 Ca -0.16 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1i3r n ASP 27 Cb 0.45 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1i3r n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i3r n GLY 28 N -1.39 0.70 3.36 0.44 0.00 -1.26 -5.02 105.19 102.01 1i3r n GLY 28 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1i3r n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3r s ASP 29 N -2.86 3.33 0.08 1.61 1.01 -0.01 -5.04 116.67 114.79 1i3r s ASP 29 Ca 0.00 -0.39 -0.31 0.00 0.71 0.00 0.00 52.55 52.56 1i3r s ASP 29 Cb 0.00 -0.48 -0.07 0.00 1.01 0.00 0.00 42.92 43.38 1i3r s ASP 29 CO 0.00 0.33 1.40 -0.70 0.21 0.00 0.00 175.17 176.40 1i3r s GLU 30 N -0.65 4.31 -0.13 8.23 2.12 -1.26 0.13 118.70 131.45 1i3r s GLU 30 Ca 0.10 2.05 -0.18 0.00 0.36 0.00 0.00 54.97 57.30 1i3r s GLU 30 Cb -0.10 -3.35 -0.25 0.00 0.26 0.00 0.00 34.13 30.68 1i3r s GLU 30 CO -0.01 -0.48 0.49 0.82 -0.54 0.00 0.00 175.26 175.55 1i3r h ILE 31 N 4.46 1.05 -1.77 -3.70 2.04 -1.36 -3.41 117.51 114.81 1i3r h ILE 31 Ca -0.41 -2.35 0.26 0.00 1.00 0.00 0.00 64.86 63.36 1i3r h ILE 31 Cb 1.20 2.66 -0.12 0.00 -0.74 0.00 0.00 36.82 39.82 1i3r h ILE 31 CO 0.87 0.63 0.70 0.72 0.00 0.00 0.00 178.15 181.07 1i3r s PHE 32 N -2.44 -0.10 0.08 1.37 -0.71 -1.24 -1.24 117.98 113.70 1i3r s PHE 32 Ca -0.22 -0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 55.60 1i3r s PHE 32 Cb 0.04 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1i3r s PHE 32 CO 0.72 -0.45 0.03 -3.38 -1.34 0.00 0.00 175.22 170.80 1i3r s HIS 33 N -2.73 0.56 -0.18 3.49 -3.43 -0.57 -1.27 115.29 111.16 1i3r s HIS 33 Ca 0.12 -1.05 -0.03 0.00 -0.80 0.00 0.00 55.06 53.31 1i3r s HIS 33 Cb 0.02 -0.36 -0.01 0.00 -1.43 0.00 0.00 32.58 30.79 1i3r s HIS 33 CO -0.03 -0.45 -0.07 0.08 -2.00 0.00 0.00 174.74 172.28 1i3r s VAL 34 N -3.95 3.33 -0.74 -5.38 1.01 0.23 -1.08 120.40 113.83 1i3r s VAL 34 Ca 0.11 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1i3r s VAL 34 Cb 0.07 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1i3r s VAL 34 CO -0.07 0.47 1.69 -0.62 0.00 0.00 0.00 175.10 176.57 1i3r s ASP 35 N 0.95 5.59 0.61 3.32 -1.08 -1.02 -4.14 116.67 120.91 1i3r s ASP 35 Ca -0.01 -0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.05 1i3r s ASP 35 Cb -0.15 -2.55 1.24 0.00 -1.46 0.00 0.00 42.92 40.01 1i3r s ASP 35 CO 0.00 -2.23 1.67 0.16 0.52 0.00 0.00 175.17 175.30 1i3r h ILE 36 N 6.74 0.18 0.00 4.11 3.07 -1.91 0.48 117.51 130.17 1i3r h ILE 36 Ca -0.15 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.01 1i3r h ILE 36 Cb 1.09 0.42 -0.05 0.00 -0.27 0.00 0.00 36.82 38.01 1i3r h ILE 36 CO 1.25 0.00 -1.98 -0.62 -1.05 0.00 0.00 178.15 175.75 1i3r n GLU 37 N -3.35 0.66 0.00 0.16 -0.58 -1.26 -4.32 120.64 111.95 1i3r n GLU 37 Ca 0.10 0.07 0.10 0.00 -0.42 0.00 0.00 57.16 57.01 1i3r n GLU 37 Cb 0.87 -1.63 0.03 0.00 -0.57 0.00 0.00 31.44 30.14 1i3r n GLU 37 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1i3r n LYS 38 N -2.76 1.59 -4.12 3.49 3.00 0.29 -4.98 118.16 114.68 1i3r n LYS 38 Ca -0.20 -1.25 -0.28 0.00 -0.00 0.00 0.00 58.31 56.58 1i3r n LYS 38 Cb 0.97 -1.42 -0.05 0.00 0.00 0.00 0.00 35.03 34.53 1i3r n LYS 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1i3r n SER 39 N 0.40 -0.04 -3.86 3.14 2.88 0.14 -4.94 113.62 111.34 1i3r n SER 39 Ca 0.10 -1.11 -0.16 0.00 -1.33 0.00 0.00 58.87 56.37 1i3r n SER 39 Cb 0.47 -2.46 -0.15 0.00 -0.75 0.00 0.00 64.21 61.32 1i3r n SER 39 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1i3r s GLU 40 N -6.90 0.28 -0.30 -1.46 2.12 -1.25 -4.84 118.70 106.34 1i3r s GLU 40 Ca 0.06 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 1i3r s GLU 40 Cb -0.04 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 33.98 1i3r s GLU 40 CO 0.94 -0.06 1.20 0.99 -0.54 0.00 0.00 175.26 177.78 1i3r s THR 41 N 0.61 4.31 -0.26 -1.70 2.01 -1.26 -2.44 115.64 116.91 1i3r s THR 41 Ca -0.06 1.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.36 1i3r s THR 41 Cb -0.09 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1i3r s THR 41 CO -0.01 -0.47 0.08 -0.63 -0.69 0.00 0.00 174.62 172.90 1i3r s ILE 42 N 4.00 4.34 0.29 1.82 -1.09 -0.24 -4.99 121.20 125.33 1i3r s ILE 42 Ca 0.51 -0.21 -0.21 0.00 -2.23 0.00 0.00 60.65 58.51 1i3r s ILE 42 Cb -0.15 -3.06 -0.09 0.00 -1.58 0.00 0.00 42.46 37.58 1i3r s ILE 42 CO 0.19 0.30 0.81 0.26 -1.23 0.00 0.00 174.94 175.28 1i3r s TRP 43 N 1.61 3.59 0.11 3.97 0.52 -1.26 -1.52 118.94 125.96 1i3r s TRP 43 Ca 0.06 1.50 -0.17 0.00 0.02 0.00 0.00 56.10 57.51 1i3r s TRP 43 Cb -0.15 -2.72 -0.05 0.00 -1.15 0.00 0.00 33.47 29.40 1i3r s TRP 43 CO 0.04 0.22 1.55 -0.09 0.02 0.00 0.00 176.95 178.69 1i3r h ARG 44 N 3.03 0.57 -5.08 4.98 9.65 -1.41 -3.40 114.38 122.72 1i3r h ARG 44 Ca -0.48 -0.18 -0.67 0.00 -1.10 0.00 0.00 59.98 57.56 1i3r h ARG 44 Cb 1.19 -0.05 -0.35 0.00 -1.39 0.00 0.00 29.97 29.37 1i3r h ARG 44 CO 0.65 0.70 -0.86 -0.51 2.80 0.00 0.00 179.97 182.74 1i3r s LEU 45 N -9.47 2.09 0.31 3.80 1.43 -1.26 -5.02 118.68 110.56 1i3r s LEU 45 Ca -0.13 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1i3r s LEU 45 Cb 0.09 -1.44 0.83 0.00 0.03 0.00 0.00 46.19 45.70 1i3r s LEU 45 CO 0.77 0.03 1.50 1.21 0.23 0.00 0.00 176.35 180.08 1i3r n GLU 46 N 4.43 -0.07 0.33 1.70 2.13 -1.26 -0.10 120.64 127.79 1i3r n GLU 46 Ca -0.20 1.41 0.20 0.00 0.66 0.00 0.00 57.16 59.23 1i3r n GLU 46 Cb 0.51 -2.29 1.08 0.00 0.27 0.00 0.00 31.44 31.00 1i3r n GLU 46 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1i3r h GLU 47 N 0.00 0.00 0.00 5.31 4.11 -1.96 -2.02 114.58 120.02 1i3r h GLU 47 Ca 0.62 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.98 1i3r h GLU 47 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1i3r h GLU 47 CO -0.87 0.00 -0.35 0.74 0.07 0.00 0.00 179.01 178.60 1i3r h PHE 48 N 0.00 0.00 -0.82 2.06 0.04 -0.92 -3.14 116.94 114.16 1i3r h PHE 48 Ca 0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 1i3r h PHE 48 Cb 0.21 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 1i3r h PHE 48 CO 0.00 0.35 0.54 0.00 -0.60 0.00 0.00 178.31 178.60 1i3r h ALA 49 N 1.65 1.76 0.00 2.45 0.00 -1.53 -1.42 119.26 122.16 1i3r h ALA 49 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i3r h ALA 49 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i3r h ALA 49 CO 0.05 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1i3r n LYS 50 N -4.52 0.56 -0.00 0.00 5.02 -1.18 -3.05 118.16 114.98 1i3r n LYS 50 Ca 0.14 0.02 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 1i3r n LYS 50 Cb 0.34 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1i3r n LYS 50 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1i3r n PHE 51 N -1.05 0.01 0.00 2.13 3.72 -0.54 -5.09 117.46 116.65 1i3r n PHE 51 Ca 0.14 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1i3r n PHE 51 Cb 0.08 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1i3r n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3r n ALA 52 N 0.19 0.00 -2.77 4.37 0.00 -1.17 -5.15 120.51 115.98 1i3r n ALA 52 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1i3r n ALA 52 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 1i3r n ALA 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i3r s SER 53 N 0.00 0.01 -0.17 0.00 1.04 -1.26 -4.69 113.70 108.62 1i3r s SER 53 Ca 0.00 -0.78 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1i3r s SER 53 Cb 0.00 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.63 1i3r s SER 53 CO 0.00 -0.89 0.39 0.12 0.98 0.00 0.00 173.24 173.85 1i3r s PHE 54 N -3.94 -0.63 -0.37 5.02 5.36 -1.26 -5.12 117.98 117.05 1i3r s PHE 54 Ca 0.14 1.30 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 1i3r s PHE 54 Cb 0.03 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1i3r s PHE 54 CO -0.02 -0.37 1.41 -1.21 -1.46 0.00 0.00 175.22 173.57 1i3r s GLU 55 N 1.76 3.66 0.34 10.12 2.02 -1.26 -4.76 118.70 130.59 1i3r s GLU 55 Ca -0.07 1.07 0.07 0.00 0.02 0.00 0.00 54.97 56.06 1i3r s GLU 55 Cb -0.10 -4.00 0.75 0.00 0.10 0.00 0.00 34.13 30.88 1i3r s GLU 55 CO -0.12 -1.45 1.87 0.00 0.02 0.00 0.00 175.26 175.58 1i3r h ALA 56 N 10.43 1.75 -0.35 5.21 0.00 -1.95 -2.13 119.26 132.22 1i3r h ALA 56 Ca -0.28 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1i3r h ALA 56 Cb 1.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1i3r h ALA 56 CO 1.07 0.03 0.17 1.96 0.00 0.00 0.00 179.25 182.47 1i3r h GLN 57 N 0.77 0.48 -0.55 0.00 1.08 -1.91 -1.80 115.11 113.18 1i3r h GLN 57 Ca 0.44 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.64 1i3r h GLN 57 Cb 0.61 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1i3r h GLN 57 CO -0.20 0.38 0.28 0.78 -0.95 0.00 0.00 178.83 179.12 1i3r h GLY 58 N 0.60 0.78 1.36 3.46 0.00 -1.79 -1.12 103.07 106.36 1i3r h GLY 58 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1i3r h GLY 58 CO -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 176.54 176.61 1i3r h ALA 59 N 1.29 1.08 -0.09 3.60 0.00 -1.42 -2.17 119.26 121.55 1i3r h ALA 59 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1i3r h ALA 59 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1i3r h ALA 59 CO -0.16 0.57 -0.23 -0.07 0.00 0.00 0.00 179.25 179.36 1i3r h LEU 60 N 0.71 0.15 -0.19 0.00 3.38 -0.78 -0.97 115.31 117.61 1i3r h LEU 60 Ca 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1i3r h LEU 60 Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1i3r h LEU 60 CO 0.03 0.39 -0.04 0.00 0.09 0.00 0.00 178.44 178.91 1i3r h ALA 61 N 1.62 0.26 -0.72 1.53 0.00 -0.70 -1.36 119.26 119.89 1i3r h ALA 61 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1i3r h ALA 61 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1i3r h ALA 61 CO 0.03 0.02 0.43 -0.91 0.00 0.00 0.00 179.25 178.83 1i3r h ASN 62 N 0.08 0.68 -0.88 0.00 4.21 -0.90 -1.53 115.58 117.23 1i3r h ASN 62 Ca 0.05 0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.59 1i3r h ASN 62 Cb 0.47 -0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 37.50 1i3r h ASN 62 CO 0.02 0.45 0.58 0.40 -1.29 0.00 0.00 177.43 177.58 1i3r h ILE 63 N 0.81 1.20 -0.99 2.81 1.08 -0.99 -1.46 117.51 119.97 1i3r h ILE 63 Ca 0.31 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1i3r h ILE 63 Cb 0.13 -0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 33.76 1i3r h ILE 63 CO -0.16 0.21 0.65 0.00 -0.69 0.00 0.00 178.15 178.17 1i3r h ALA 64 N 1.34 1.30 -0.62 1.87 0.00 -0.33 0.27 119.26 123.09 1i3r h ALA 64 Ca 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1i3r h ALA 64 Cb -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.27 1i3r h ALA 64 CO -0.09 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.38 1i3r h VAL 65 N 1.34 1.22 -0.17 0.00 2.07 -0.37 -1.60 116.25 118.74 1i3r h VAL 65 Ca 0.36 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1i3r h VAL 65 Cb -0.15 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1i3r h VAL 65 CO -0.08 0.26 -0.15 0.78 0.02 0.00 0.00 177.57 178.40 1i3r h ASN 66 N 0.85 0.27 -0.25 0.57 -0.26 -0.39 -0.33 115.58 116.05 1i3r h ASN 66 Ca 0.21 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1i3r h ASN 66 Cb 0.14 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1i3r h ASN 66 CO -0.02 0.44 -0.01 0.50 -1.06 0.00 0.00 177.43 177.28 1i3r h LYS 67 N 0.26 0.44 -0.28 0.81 3.64 -0.31 0.12 116.57 121.25 1i3r h LYS 67 Ca 0.05 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1i3r h LYS 67 Cb 0.43 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1i3r h LYS 67 CO 0.03 0.62 -0.07 0.00 -2.27 0.00 0.00 179.45 177.76 1i3r h ALA 68 N 0.80 0.39 -0.38 5.00 0.00 -1.10 -2.77 119.26 121.20 1i3r h ALA 68 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1i3r h ALA 68 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1i3r h ALA 68 CO 0.01 0.21 0.17 -0.91 0.00 0.00 0.00 179.25 178.74 1i3r h ASN 69 N 0.31 0.48 -0.67 0.00 2.35 -0.96 -1.87 115.58 115.21 1i3r h ASN 69 Ca 0.07 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1i3r h ASN 69 Cb 0.55 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1i3r h ASN 69 CO 0.03 0.42 0.41 0.25 -1.65 0.00 0.00 177.43 176.89 1i3r h LEU 70 N 0.54 0.80 -0.65 1.61 5.85 -0.50 0.59 115.31 123.55 1i3r h LEU 70 Ca 0.14 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1i3r h LEU 70 Cb 0.08 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1i3r h LEU 70 CO -0.02 0.62 0.42 0.44 -0.34 0.00 0.00 178.44 179.57 1i3r h ASP 71 N 0.91 0.72 -0.56 1.25 3.32 -1.08 -0.80 116.42 120.18 1i3r h ASP 71 Ca 0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1i3r h ASP 71 Cb -0.04 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1i3r h ASP 71 CO -0.05 0.51 0.32 0.58 -1.72 0.00 0.00 179.24 178.89 1i3r h VAL 72 N 0.86 1.18 -0.79 -1.35 2.07 -0.99 -2.29 116.25 114.94 1i3r h VAL 72 Ca 0.25 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1i3r h VAL 72 Cb -0.06 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1i3r h VAL 72 CO -0.07 0.19 0.47 0.24 0.02 0.00 0.00 177.57 178.41 1i3r h MET 73 N 0.75 1.07 -0.31 1.57 2.86 -0.31 -0.18 114.93 120.38 1i3r h MET 73 Ca 0.20 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1i3r h MET 73 Cb 0.02 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1i3r h MET 73 CO -0.03 0.76 0.12 0.87 1.06 0.00 0.00 176.91 179.68 1i3r h LYS 74 N 1.09 0.47 -0.86 1.72 1.57 -0.69 -1.98 116.57 117.89 1i3r h LYS 74 Ca 0.28 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1i3r h LYS 74 Cb -0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1i3r h LYS 74 CO -0.05 0.48 0.46 0.93 -0.57 0.00 0.00 179.45 180.71 1i3r h GLU 75 N 0.35 1.20 0.00 3.15 4.39 -0.97 -0.08 114.58 122.63 1i3r h GLU 75 Ca 0.10 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1i3r h GLU 75 Cb 0.19 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1i3r h GLU 75 CO -0.01 0.89 0.00 -0.09 -1.16 0.00 0.00 179.01 178.64 1i3r h ARG 76 N 1.21 0.00 -0.15 2.33 2.43 -0.69 -2.87 114.38 116.64 1i3r h ARG 76 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1i3r h ARG 76 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1i3r h ARG 76 CO -0.05 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.28 1i3r n SER 77 N -3.00 2.48 -3.66 -3.80 3.41 -0.78 -4.98 113.62 103.29 1i3r n SER 77 Ca -0.00 -2.13 -0.23 0.00 -0.26 0.00 0.00 58.87 56.25 1i3r n SER 77 Cb 0.25 -0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1i3r n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1i3r n ASN 78 N -0.18 -3.03 -4.18 4.04 5.15 -0.70 -2.11 115.26 114.25 1i3r n ASN 78 Ca 0.07 -0.71 -0.36 0.00 -0.60 0.00 0.00 54.58 52.97 1i3r n ASN 78 Cb 0.38 -4.45 -0.04 0.00 -0.53 0.00 0.00 39.78 35.14 1i3r n ASN 78 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1i3r n ASN 79 N -3.02 -2.96 -4.62 1.20 3.02 -0.13 -4.90 115.26 103.85 1i3r n ASN 79 Ca -0.17 -0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.99 1i3r n ASN 79 Cb 0.62 -2.46 -0.06 0.00 -0.61 0.00 0.00 39.78 37.28 1i3r n ASN 79 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i3r s THR 80 N -3.20 4.90 0.70 3.41 2.01 -0.90 -5.05 115.64 117.51 1i3r s THR 80 Ca 0.72 1.14 -0.04 0.00 0.31 0.00 0.00 61.69 63.83 1i3r s THR 80 Cb -0.40 -4.04 0.09 0.00 0.01 0.00 0.00 72.50 68.16 1i3r s THR 80 CO 0.89 -0.11 0.98 -2.16 -0.69 0.00 0.00 174.62 173.53 1i3r s PRO 81 N 2.71 1.94 0.49 4.92 0.04 -1.26 -5.02 135.00 138.81 1i3r s PRO 81 Ca 0.29 -0.69 0.04 0.00 0.04 0.00 0.00 61.00 60.67 1i3r s PRO 81 Cb -0.15 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1i3r s PRO 81 CO 0.10 -1.31 0.10 -0.51 0.04 0.00 0.00 177.00 175.42 1i3r s ASP 82 N -4.61 4.22 0.25 6.66 1.01 -1.26 -5.12 116.67 117.82 1i3r s ASP 82 Ca 0.63 -1.45 -0.26 0.00 0.71 0.00 0.00 52.55 52.18 1i3r s ASP 82 Cb -0.08 0.22 -0.09 0.00 1.01 0.00 0.00 42.92 43.98 1i3r s ASP 82 CO 0.44 -0.79 0.87 0.00 0.21 0.00 0.00 175.17 175.90 1i3r s ALA 83 N -2.79 3.33 0.46 5.23 0.00 -1.26 -5.03 121.76 121.69 1i3r s ALA 83 Ca 0.20 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 1i3r s ALA 83 Cb 0.03 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 1i3r s ALA 83 CO 0.11 0.23 1.20 -0.80 0.00 0.00 0.00 175.76 176.50 1i3r s ASN 84 N -1.40 6.13 -0.31 0.00 0.01 -1.26 -4.92 114.94 113.19 1i3r s ASN 84 Ca 0.43 2.39 -0.02 0.00 -0.71 0.00 0.00 52.86 54.95 1i3r s ASN 84 Cb -0.21 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 38.89 1i3r s ASN 84 CO 0.26 -0.95 0.01 -0.69 -1.51 0.00 0.00 177.10 174.22 1i3r s VAL 85 N -1.48 3.02 0.56 1.60 1.01 0.12 -4.78 120.40 120.45 1i3r s VAL 85 Ca 0.63 -1.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1i3r s VAL 85 Cb -0.31 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1i3r s VAL 85 CO 0.38 -0.13 1.25 0.00 0.00 0.00 0.00 175.10 176.59 1i3r s ALA 86 N 1.25 2.69 0.35 5.51 0.00 -1.26 -1.80 121.76 128.49 1i3r s ALA 86 Ca -0.05 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1i3r s ALA 86 Cb -0.20 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1i3r s ALA 86 CO -0.01 -1.16 0.61 -1.25 0.00 0.00 0.00 175.76 173.95 1i3r s PRO 87 N -3.10 3.59 0.11 0.00 0.04 -1.26 -4.54 135.00 129.84 1i3r s PRO 87 Ca 0.74 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 1i3r s PRO 87 Cb -0.33 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 1i3r s PRO 87 CO 0.38 0.10 0.42 -1.21 0.04 0.00 0.00 177.00 176.73 1i3r s GLU 88 N -4.00 3.74 -0.02 4.56 2.02 -0.36 -4.91 118.70 119.72 1i3r s GLU 88 Ca 0.44 0.14 0.04 0.00 0.02 0.00 0.00 54.97 55.61 1i3r s GLU 88 Cb -0.10 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 1i3r s GLU 88 CO 0.34 0.51 -0.15 0.08 0.02 0.00 0.00 175.26 176.06 1i3r s VAL 89 N -1.50 1.22 -0.05 2.63 1.01 -1.26 -1.27 120.40 121.17 1i3r s VAL 89 Ca 0.37 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1i3r s VAL 89 Cb -0.13 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1i3r s VAL 89 CO 0.20 0.35 0.10 -0.89 0.00 0.00 0.00 175.10 174.86 1i3r s THR 90 N -0.13 -0.05 -0.16 3.92 2.01 -0.23 -4.99 115.64 116.01 1i3r s THR 90 Ca 0.01 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1i3r s THR 90 Cb -0.08 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1i3r s THR 90 CO 0.01 0.07 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.21 1i3r s VAL 91 N 0.99 3.15 0.20 3.82 1.01 -1.26 0.12 120.40 128.43 1i3r s VAL 91 Ca -0.08 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1i3r s VAL 91 Cb -0.11 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 1i3r s VAL 91 CO -0.04 0.49 0.36 -1.48 0.00 0.00 0.00 175.10 174.43 1i3r s LEU 92 N 0.75 0.67 0.25 3.92 2.34 -0.03 -4.97 118.68 121.60 1i3r s LEU 92 Ca -0.04 -0.87 -0.11 0.00 0.06 0.00 0.00 54.13 53.17 1i3r s LEU 92 Cb -0.15 1.43 -0.08 0.00 -0.56 0.00 0.00 46.19 46.83 1i3r s LEU 92 CO 0.02 -0.98 0.59 -0.94 -1.06 0.00 0.00 176.35 173.97 1i3r s SER 93 N -2.98 6.66 0.34 1.48 1.04 -1.26 0.92 113.70 119.89 1i3r s SER 93 Ca 0.19 1.00 0.08 0.00 0.48 0.00 0.00 55.95 57.71 1i3r s SER 93 Cb 0.02 -2.26 0.61 0.00 0.10 0.00 0.00 66.02 64.49 1i3r s SER 93 CO 0.03 -0.10 1.80 -0.09 0.98 0.00 0.00 173.24 175.86 1i3r h ARG 94 N 2.48 0.23 -3.74 4.02 2.43 -1.04 -3.46 114.38 115.29 1i3r h ARG 94 Ca -0.47 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 58.48 1i3r h ARG 94 Cb 1.17 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 1i3r h ARG 94 CO 0.68 0.50 -0.09 -1.54 -1.51 0.00 0.00 179.97 178.01 1i3r s SER 95 N -6.88 0.34 0.28 -3.80 1.04 -1.26 -5.04 113.70 98.38 1i3r s SER 95 Ca -0.05 -1.20 -0.29 0.00 0.48 0.00 0.00 55.95 54.90 1i3r s SER 95 Cb 0.14 0.66 -0.14 0.00 0.10 0.00 0.00 66.02 66.78 1i3r s SER 95 CO 0.75 -1.29 1.08 -2.65 0.98 0.00 0.00 173.24 172.10 1i3r n PRO 96 N -0.48 1.44 -3.26 4.02 -0.02 -1.26 -4.93 135.00 130.52 1i3r n PRO 96 Ca -0.02 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 1i3r n PRO 96 Cb 0.61 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1i3r n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i3r s VAL 97 N -0.91 5.14 -0.08 -1.45 1.01 -1.26 -5.04 120.40 117.82 1i3r s VAL 97 Ca 0.60 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 1i3r s VAL 97 Cb -0.70 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1i3r s VAL 97 CO 0.59 0.27 0.03 0.20 0.00 0.00 0.00 175.10 176.19 1i3r s ASN 98 N 0.79 1.57 0.15 3.32 0.01 -1.26 -5.09 114.94 114.42 1i3r s ASN 98 Ca 0.27 -0.11 -0.31 0.00 -0.71 0.00 0.00 52.86 51.99 1i3r s ASN 98 Cb -0.16 -0.33 -0.18 0.00 0.41 0.00 0.00 41.25 40.99 1i3r s ASN 98 CO 0.11 -0.23 0.71 0.18 -1.51 0.00 0.00 177.10 176.35 1i3r n LEU 99 N 5.20 -0.74 0.00 0.60 4.77 -1.26 -0.58 117.00 124.99 1i3r n LEU 99 Ca -0.06 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1i3r n LEU 99 Cb 0.50 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1i3r n LEU 99 CO 0.09 -2.60 0.00 0.61 -1.33 0.00 0.00 177.39 174.16 1i3r n GLY 100 N 1.84 1.76 3.61 -0.72 0.00 -1.08 -4.97 105.19 105.63 1i3r n GLY 100 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1i3r n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3r s GLU 101 N -0.04 3.99 0.32 1.61 2.12 0.25 -4.96 118.70 121.99 1i3r s GLU 101 Ca 0.00 -0.28 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 1i3r s GLU 101 Cb 0.00 -3.63 -0.14 0.00 0.26 0.00 0.00 34.13 30.62 1i3r s GLU 101 CO 0.00 -0.13 0.86 -2.30 -0.54 0.00 0.00 175.26 173.16 1i3r n PRO 102 N 4.89 1.04 -1.44 4.30 -0.02 -1.26 -4.37 135.00 138.14 1i3r n PRO 102 Ca -0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1i3r n PRO 102 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1i3r n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1i3r n ASN 103 N 1.23 0.00 -3.72 2.55 2.85 -0.60 -4.99 115.26 112.58 1i3r n ASN 103 Ca 0.11 -0.93 -0.15 0.00 -0.11 0.00 0.00 54.58 53.51 1i3r n ASN 103 Cb 0.33 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.21 1i3r n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1i3r s ILE 104 N -2.41 -0.13 -0.05 -1.44 1.01 -1.26 -2.51 121.20 114.41 1i3r s ILE 104 Ca 0.00 0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 1i3r s ILE 104 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1i3r s ILE 104 CO 0.00 0.10 0.71 -0.76 0.00 0.00 0.00 174.94 174.99 1i3r s LEU 105 N 1.59 4.34 -0.18 2.97 1.43 0.61 -0.35 118.68 129.09 1i3r s LEU 105 Ca -0.05 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 1i3r s LEU 105 Cb -0.12 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1i3r s LEU 105 CO -0.06 -0.10 -0.02 -0.63 0.23 0.00 0.00 176.35 175.77 1i3r s ILE 106 N 0.68 3.87 -0.46 -0.59 1.01 0.26 -1.58 121.20 124.40 1i3r s ILE 106 Ca 0.38 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1i3r s ILE 106 Cb -0.18 -2.73 0.12 0.00 0.01 0.00 0.00 42.46 39.68 1i3r s ILE 106 CO 0.19 0.45 0.29 0.00 0.00 0.00 0.00 174.94 175.87 1i3r s PHE 108 N 1.11 2.99 -0.29 0.00 5.36 0.32 -1.80 117.98 125.66 1i3r s PHE 108 Ca 0.08 0.35 -0.10 0.00 -0.96 0.00 0.00 56.93 56.30 1i3r s PHE 108 Cb -0.24 -3.74 -0.03 0.00 -0.34 0.00 0.00 43.02 38.67 1i3r s PHE 108 CO -0.03 -0.98 0.17 0.42 -1.46 0.00 0.00 175.22 173.34 1i3r s ILE 109 N 3.46 5.00 0.17 3.12 1.01 -0.09 -1.07 121.20 132.79 1i3r s ILE 109 Ca 0.34 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.96 1i3r s ILE 109 Cb -0.11 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1i3r s ILE 109 CO 0.23 0.18 -0.09 -0.62 0.00 0.00 0.00 174.94 174.64 1i3r s ASP 110 N 1.70 1.87 -1.21 3.58 2.15 -0.40 -0.02 116.67 124.34 1i3r s ASP 110 Ca 0.06 -1.05 -0.17 0.00 0.43 0.00 0.00 52.55 51.82 1i3r s ASP 110 Cb -0.16 -0.02 -0.00 0.00 -0.30 0.00 0.00 42.92 42.44 1i3r s ASP 110 CO 0.09 -0.34 0.69 0.29 -0.17 0.00 0.00 175.17 175.72 1i3r n LYS 111 N -0.25 -1.64 -4.24 4.34 5.02 -0.98 -1.23 118.16 119.18 1i3r n LYS 111 Ca -0.09 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1i3r n LYS 111 Cb 0.61 -4.05 -0.10 0.00 -0.02 0.00 0.00 35.03 31.47 1i3r n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1i3r s PHE 112 N -3.59 1.20 -0.25 2.13 -0.71 -1.08 -4.31 117.98 111.37 1i3r s PHE 112 Ca 0.36 -1.08 -0.28 0.00 -1.04 0.00 0.00 56.93 54.89 1i3r s PHE 112 Cb -0.14 -0.69 0.16 0.00 -1.21 0.00 0.00 43.02 41.14 1i3r s PHE 112 CO 0.88 -0.28 1.20 0.45 -1.34 0.00 0.00 175.22 176.13 1i3r s SER 113 N -3.17 -0.22 1.09 1.98 0.15 -0.75 -1.26 113.70 111.51 1i3r s SER 113 Ca 0.26 0.33 -0.12 0.00 0.70 0.00 0.00 55.95 57.12 1i3r s SER 113 Cb 0.07 0.30 0.24 0.00 -1.71 0.00 0.00 66.02 64.92 1i3r s SER 113 CO 0.05 -0.15 1.06 -2.16 1.20 0.00 0.00 173.24 173.24 1i3r s PRO 114 N -0.55 -0.35 -1.57 5.44 0.04 -1.26 0.14 135.00 136.88 1i3r s PRO 114 Ca 0.04 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 1i3r s PRO 114 Cb -0.03 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 1i3r s PRO 114 CO -0.06 -3.37 2.72 -0.35 0.04 0.00 0.00 177.00 175.98 1i3r n PRO 115 N -4.68 3.42 -3.76 0.56 -0.04 -1.26 -4.80 135.00 124.44 1i3r n PRO 115 Ca 0.05 -2.33 -0.15 0.00 -0.04 0.00 0.00 63.50 61.03 1i3r n PRO 115 Cb 0.54 -2.96 -0.16 0.00 -0.04 0.00 0.00 33.50 30.88 1i3r n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1i3r s VAL 116 N 2.52 -0.06 -0.10 0.52 -7.23 -1.26 -4.99 120.40 109.79 1i3r s VAL 116 Ca 0.62 0.21 -0.19 0.00 -1.81 0.00 0.00 61.98 60.82 1i3r s VAL 116 Cb 0.17 -0.12 0.04 0.00 0.56 0.00 0.00 36.38 37.03 1i3r s VAL 116 CO -0.07 0.09 0.46 0.68 -0.31 0.00 0.00 175.10 175.95 1i3r s VAL 117 N 1.13 0.02 -0.25 1.32 -7.23 -1.26 -4.72 120.40 109.41 1i3r s VAL 117 Ca -0.09 -0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.86 1i3r s VAL 117 Cb -0.13 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 1i3r s VAL 117 CO -0.04 -0.09 0.05 0.20 -0.31 0.00 0.00 175.10 174.91 1i3r s ASN 118 N -0.56 4.95 -0.10 4.85 0.01 -0.60 -4.97 114.94 118.52 1i3r s ASN 118 Ca -0.07 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 51.80 1i3r s ASN 118 Cb -0.03 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1i3r s ASN 118 CO 0.04 -0.05 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.71 1i3r s VAL 119 N 1.57 2.68 -0.10 1.60 1.01 -1.26 -0.68 120.40 125.22 1i3r s VAL 119 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1i3r s VAL 119 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1i3r s VAL 119 CO 0.02 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 1i3r s THR 120 N 0.08 0.97 0.19 3.92 2.01 0.51 -4.98 115.64 118.35 1i3r s THR 120 Ca -0.08 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.51 1i3r s THR 120 Cb -0.15 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.30 1i3r s THR 120 CO 0.05 0.35 0.58 0.26 -0.69 0.00 0.00 174.62 175.17 1i3r s TRP 121 N 1.52 3.54 -0.03 4.92 0.52 -1.26 0.11 118.94 128.26 1i3r s TRP 121 Ca 0.01 1.04 0.01 0.00 0.02 0.00 0.00 56.10 57.18 1i3r s TRP 121 Cb -0.13 -2.37 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1i3r s TRP 121 CO -0.06 0.35 -0.03 -0.51 0.02 0.00 0.00 176.95 176.73 1i3r s LEU 122 N -2.27 1.36 -0.22 2.99 1.43 0.32 -1.89 118.68 120.41 1i3r s LEU 122 Ca 0.42 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1i3r s LEU 122 Cb -0.14 -0.35 0.03 0.00 0.03 0.00 0.00 46.19 45.76 1i3r s LEU 122 CO 0.20 -0.05 -0.14 -0.60 0.23 0.00 0.00 176.35 175.98 1i3r s ARG 123 N 0.82 2.78 -1.42 1.70 3.52 0.97 0.10 118.95 127.42 1i3r s ARG 123 Ca -0.10 -0.99 -0.09 0.00 -0.13 0.00 0.00 55.73 54.43 1i3r s ARG 123 Cb -0.13 -2.75 0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1i3r s ARG 123 CO -0.00 -0.34 1.05 0.09 -0.81 0.00 0.00 175.30 175.29 1i3r n ASN 124 N 4.59 -6.09 0.00 -2.12 3.02 -0.27 -1.80 115.26 112.59 1i3r n ASN 124 Ca -0.18 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1i3r n ASN 124 Cb 0.47 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 1i3r n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i3r n GLY 125 N -1.87 0.45 3.24 7.41 0.00 -1.26 -5.02 105.19 108.13 1i3r n GLY 125 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1i3r n GLY 125 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i3r s ARG 126 N -0.34 1.99 0.09 1.61 3.52 -0.74 -5.05 118.95 120.02 1i3r s ARG 126 Ca 0.00 -0.80 -0.34 0.00 -0.13 0.00 0.00 55.73 54.46 1i3r s ARG 126 Cb 0.00 -1.83 -0.13 0.00 -1.56 0.00 0.00 34.95 31.42 1i3r s ARG 126 CO 0.00 0.43 1.65 -2.30 -0.81 0.00 0.00 175.30 174.27 1i3r n PRO 127 N 2.70 2.12 -4.57 5.12 -0.02 -1.26 -0.02 135.00 139.07 1i3r n PRO 127 Ca -0.16 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1i3r n PRO 127 Cb 0.52 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 1i3r n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i3r s VAL 128 N 1.74 3.07 0.00 -1.45 1.01 -0.79 -4.86 120.40 119.11 1i3r s VAL 128 Ca 0.83 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1i3r s VAL 128 Cb -0.69 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1i3r s VAL 128 CO 0.42 0.51 0.50 0.35 0.00 0.00 0.00 175.10 176.87 1i3r n THR 129 N 3.81 0.08 -4.35 3.92 -2.24 -1.26 -4.49 114.28 109.75 1i3r n THR 129 Ca -0.18 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 1i3r n THR 129 Cb 0.52 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1i3r n THR 129 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1i3r s GLU 130 N -0.08 3.17 -0.04 -0.78 2.02 -1.26 -4.36 118.70 117.36 1i3r s GLU 130 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1i3r s GLU 130 Cb 0.00 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1i3r s GLU 130 CO 0.00 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1i3r n GLY 131 N 2.47 0.47 3.84 -1.39 0.00 -1.26 -4.78 105.19 104.53 1i3r n GLY 131 Ca -0.18 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1i3r n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i3r s VAL 132 N -1.93 5.42 0.25 1.61 -7.23 -1.26 -1.82 120.40 115.45 1i3r s VAL 132 Ca 0.00 0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.36 1i3r s VAL 132 Cb 0.00 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1i3r s VAL 132 CO 0.00 0.58 0.21 -0.94 -0.31 0.00 0.00 175.10 174.64 1i3r s SER 133 N -0.72 0.66 0.14 4.85 1.04 -0.61 -4.98 113.70 114.08 1i3r s SER 133 Ca 0.13 -1.49 -0.24 0.00 0.48 0.00 0.00 55.95 54.83 1i3r s SER 133 Cb -0.12 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1i3r s SER 133 CO 0.03 -0.95 0.62 -1.83 0.98 0.00 0.00 173.24 172.09 1i3r s GLU 134 N -3.87 1.24 0.61 4.02 -1.05 -1.26 -0.98 118.70 117.41 1i3r s GLU 134 Ca 0.38 -0.42 0.05 0.00 -0.15 0.00 0.00 54.97 54.84 1i3r s GLU 134 Cb 0.05 0.57 0.09 0.00 -0.44 0.00 0.00 34.13 34.40 1i3r s GLU 134 CO 0.17 -0.53 0.84 0.95 0.95 0.00 0.00 175.26 177.64 1i3r s THR 135 N -3.56 2.28 0.72 1.83 -4.23 -0.74 -5.03 115.64 106.92 1i3r s THR 135 Ca 0.01 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1i3r s THR 135 Cb -0.01 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.51 1i3r s THR 135 CO -0.11 0.00 0.98 1.33 -0.54 0.00 0.00 174.62 176.28 1i3r n VAL 136 N -2.44 0.00 -2.37 2.29 0.24 -1.26 -4.76 118.33 110.03 1i3r n VAL 136 Ca 0.14 -1.30 -0.43 0.00 -2.04 0.00 0.00 64.34 60.71 1i3r n VAL 136 Cb 0.61 -1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 31.87 1i3r n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1i3r s PHE 137 N -3.00 2.40 0.51 6.34 0.08 -1.26 -4.69 117.98 118.35 1i3r s PHE 137 Ca 0.62 0.65 -0.06 0.00 0.12 0.00 0.00 56.93 58.26 1i3r s PHE 137 Cb -0.03 -4.33 -0.03 0.00 -0.57 0.00 0.00 43.02 38.05 1i3r s PHE 137 CO 0.42 -1.94 0.82 -0.51 -0.10 0.00 0.00 175.22 173.91 1i3r s LEU 138 N 5.50 3.55 0.34 -0.37 1.43 0.06 -4.89 118.68 124.29 1i3r s LEU 138 Ca 0.59 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 1i3r s LEU 138 Cb -0.13 -3.92 -0.07 0.00 0.03 0.00 0.00 46.19 42.10 1i3r s LEU 138 CO 0.32 -0.65 0.71 -2.16 0.23 0.00 0.00 176.35 174.79 1i3r s PRO 139 N -4.81 3.85 0.38 1.29 0.04 -1.26 -1.97 135.00 132.52 1i3r s PRO 139 Ca 0.49 0.48 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1i3r s PRO 139 Cb -0.10 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.98 1i3r s PRO 139 CO 0.46 0.11 0.10 0.54 0.04 0.00 0.00 177.00 178.25 1i3r n ARG 140 N -0.75 1.03 0.20 4.56 1.74 -1.23 -4.82 116.66 117.40 1i3r n ARG 140 Ca 0.02 -2.65 0.08 0.00 -0.77 0.00 0.00 57.85 54.53 1i3r n ARG 140 Cb 0.53 0.57 0.41 0.00 -1.02 0.00 0.00 32.46 32.95 1i3r n ARG 140 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1i3r h ASP 141 N 0.75 0.00 0.00 0.55 3.32 -1.99 -3.46 116.42 115.59 1i3r h ASP 141 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1i3r h ASP 141 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1i3r h ASP 141 CO 0.48 0.30 0.00 -0.90 -1.72 0.00 0.00 179.24 177.40 1i3r n ASP 142 N -3.51 0.00 -0.87 6.45 5.68 -1.26 -5.02 116.55 118.03 1i3r n ASP 142 Ca -0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 1i3r n ASP 142 Cb 0.46 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.71 1i3r n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i3r n HIS 143 N 0.00 0.23 -3.41 2.11 1.44 -1.26 -4.96 115.22 109.37 1i3r n HIS 143 Ca 0.00 -0.12 -0.19 0.00 -2.01 0.00 0.00 57.72 55.40 1i3r n HIS 143 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1i3r n HIS 143 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1i3r s LEU 144 N -1.71 3.94 0.30 2.39 1.43 -1.26 -4.96 118.68 118.81 1i3r s LEU 144 Ca 0.34 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1i3r s LEU 144 Cb 0.21 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1i3r s LEU 144 CO 0.30 -0.46 0.06 -0.36 0.23 0.00 0.00 176.35 176.12 1i3r s PHE 145 N -2.22 2.69 0.08 0.29 0.40 -0.39 -3.56 117.98 115.27 1i3r s PHE 145 Ca 0.45 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1i3r s PHE 145 Cb -0.10 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1i3r s PHE 145 CO 0.32 0.49 -0.07 -0.98 0.70 0.00 0.00 175.22 175.68 1i3r s ARG 146 N -3.75 0.76 -0.04 0.44 1.70 -0.83 -2.33 118.95 114.89 1i3r s ARG 146 Ca 0.34 -1.20 -0.19 0.00 -0.47 0.00 0.00 55.73 54.22 1i3r s ARG 146 Cb -0.04 -0.22 0.04 0.00 -0.57 0.00 0.00 34.95 34.16 1i3r s ARG 146 CO 0.21 -0.00 0.42 0.21 -1.08 0.00 0.00 175.30 175.05 1i3r s LYS 147 N -3.30 0.75 -0.08 3.89 2.20 0.97 -0.76 119.74 123.40 1i3r s LYS 147 Ca 0.07 0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1i3r s LYS 147 Cb 0.02 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1i3r s LYS 147 CO -0.04 -0.21 -0.20 -0.06 -0.36 0.00 0.00 175.35 174.49 1i3r s PHE 148 N -1.12 2.60 -0.01 4.03 0.40 -1.26 -0.91 117.98 121.71 1i3r s PHE 148 Ca -0.11 -0.65 0.07 0.00 -0.60 0.00 0.00 56.93 55.63 1i3r s PHE 148 Cb -0.04 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1i3r s PHE 148 CO 0.05 -0.17 -0.21 -1.01 0.70 0.00 0.00 175.22 174.58 1i3r s HIS 149 N -0.06 2.50 0.05 0.36 3.76 -0.75 -1.79 115.29 119.35 1i3r s HIS 149 Ca -0.05 -0.30 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 1i3r s HIS 149 Cb -0.14 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1i3r s HIS 149 CO 0.04 0.12 -0.22 0.71 -0.85 0.00 0.00 174.74 174.55 1i3r s TYR 150 N -0.75 1.90 -0.12 1.40 2.02 -0.15 -0.70 117.35 120.95 1i3r s TYR 150 Ca 0.12 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.40 1i3r s TYR 150 Cb -0.10 -1.13 0.05 0.00 -0.40 0.00 0.00 41.96 40.38 1i3r s TYR 150 CO 0.01 0.10 0.09 -1.17 -1.57 0.00 0.00 175.55 173.01 1i3r s LEU 151 N -1.21 0.23 0.47 -1.29 2.96 -0.61 -1.58 118.68 117.66 1i3r s LEU 151 Ca 0.08 -0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 53.46 1i3r s LEU 151 Cb -0.09 -0.16 -0.07 0.00 0.50 0.00 0.00 46.19 46.37 1i3r s LEU 151 CO 0.02 -0.31 1.26 0.42 -1.32 0.00 0.00 176.35 176.42 1i3r s THR 152 N 2.16 2.67 0.04 3.68 -4.23 -0.75 -0.29 115.64 118.92 1i3r s THR 152 Ca 0.03 0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 60.80 1i3r s THR 152 Cb -0.14 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.50 1i3r s THR 152 CO -0.07 0.01 0.71 0.72 -0.54 0.00 0.00 174.62 175.45 1i3r s PHE 153 N -1.40 -0.54 -0.34 3.99 -0.71 -1.04 -4.85 117.98 113.09 1i3r s PHE 153 Ca 0.64 0.61 -0.04 0.00 -1.04 0.00 0.00 56.93 57.10 1i3r s PHE 153 Cb -0.34 0.50 0.06 0.00 -1.21 0.00 0.00 43.02 42.02 1i3r s PHE 153 CO 0.42 -0.68 0.08 -1.17 -1.34 0.00 0.00 175.22 172.53 1i3r s LEU 154 N -2.04 4.30 -0.01 -1.99 2.96 -1.26 -1.56 118.68 119.09 1i3r s LEU 154 Ca -0.03 -1.35 -0.36 0.00 -0.22 0.00 0.00 54.13 52.18 1i3r s LEU 154 Cb -0.01 -1.80 -0.14 0.00 0.50 0.00 0.00 46.19 44.74 1i3r s LEU 154 CO -0.03 -0.34 1.62 -2.65 -1.32 0.00 0.00 176.35 173.63 1i3r n PRO 155 N 4.70 1.69 -3.66 0.98 -0.02 -1.26 -4.87 135.00 132.56 1i3r n PRO 155 Ca -0.11 0.61 -0.07 0.00 -2.02 0.00 0.00 63.50 61.91 1i3r n PRO 155 Cb 0.43 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1i3r n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i3r s SER 156 N 2.07 -0.84 0.00 2.55 0.15 -1.26 -2.65 113.70 113.73 1i3r s SER 156 Ca 0.88 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.88 1i3r s SER 156 Cb -0.83 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1i3r s SER 156 CO 0.49 -0.23 0.84 0.35 1.20 0.00 0.00 173.24 175.89 1i3r n THR 157 N 4.61 1.41 0.05 6.45 -2.24 -1.26 -0.79 114.28 122.50 1i3r n THR 157 Ca -0.18 0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.91 1i3r n THR 157 Cb 0.56 -1.42 -0.13 0.00 -2.10 0.00 0.00 70.33 67.23 1i3r n THR 157 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1i3r h ASP 158 N 0.00 0.17 -2.91 3.42 3.32 -1.99 -3.48 116.42 114.95 1i3r h ASP 158 Ca 0.00 -0.22 -0.62 0.00 0.02 0.00 0.00 57.03 56.21 1i3r h ASP 158 Cb 0.15 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1i3r h ASP 158 CO 0.00 1.18 -0.48 -1.81 -1.72 0.00 0.00 179.24 176.41 1i3r s ASP 159 N -6.70 6.37 0.20 6.45 1.01 0.03 -5.06 116.67 118.98 1i3r s ASP 159 Ca -0.04 0.31 0.07 0.00 0.71 0.00 0.00 52.55 53.60 1i3r s ASP 159 Cb 0.08 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 1i3r s ASP 159 CO 0.84 0.18 -0.14 0.72 0.21 0.00 0.00 175.17 176.97 1i3r s PHE 160 N -1.49 1.67 0.20 4.23 -0.71 -1.26 -4.28 117.98 116.34 1i3r s PHE 160 Ca 0.34 -0.58 0.03 0.00 -1.04 0.00 0.00 56.93 55.68 1i3r s PHE 160 Cb -0.13 -0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 40.85 1i3r s PHE 160 CO 0.26 0.33 -0.01 0.71 -1.34 0.00 0.00 175.22 175.17 1i3r s TYR 161 N -2.96 1.38 -0.19 3.49 1.51 0.27 -1.11 117.35 119.74 1i3r s TYR 161 Ca 0.22 -0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 55.23 1i3r s TYR 161 Cb -0.01 -0.78 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 1i3r s TYR 161 CO 0.06 -0.09 0.46 -0.51 -1.11 0.00 0.00 175.55 174.36 1i3r s ASP 162 N -3.23 -0.59 -0.28 2.29 1.01 0.11 -1.01 116.67 114.96 1i3r s ASP 162 Ca 0.25 1.01 -0.06 0.00 0.71 0.00 0.00 52.55 54.46 1i3r s ASP 162 Cb 0.05 0.89 0.01 0.00 1.01 0.00 0.00 42.92 44.88 1i3r s ASP 162 CO 0.06 -0.20 0.05 0.00 0.21 0.00 0.00 175.17 175.29 1i3r s GLU 164 N 1.48 3.69 -0.11 0.00 2.12 0.12 -1.47 118.70 124.52 1i3r s GLU 164 Ca 0.03 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1i3r s GLU 164 Cb -0.17 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 1i3r s GLU 164 CO 0.01 -0.02 -0.17 0.08 -0.54 0.00 0.00 175.26 174.63 1i3r s VAL 165 N 1.12 2.72 -0.06 3.70 1.01 0.10 -0.36 120.40 128.63 1i3r s VAL 165 Ca 0.03 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1i3r s VAL 165 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1i3r s VAL 165 CO 0.02 0.54 -0.24 -0.62 0.00 0.00 0.00 175.10 174.80 1i3r s ASP 166 N 0.27 2.98 0.00 3.32 2.15 0.15 -0.32 116.67 125.23 1i3r s ASP 166 Ca -0.12 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.25 1i3r s ASP 166 Cb -0.16 -0.91 0.01 0.00 -0.30 0.00 0.00 42.92 41.56 1i3r s ASP 166 CO 0.06 0.22 0.21 -2.28 -0.17 0.00 0.00 175.17 173.21 1i3r s HIS 167 N -0.06 -0.03 -0.39 -5.34 5.65 -1.26 -1.56 115.29 112.30 1i3r s HIS 167 Ca -0.06 -0.02 0.15 0.00 0.25 0.00 0.00 55.06 55.38 1i3r s HIS 167 Cb -0.14 0.01 0.81 0.00 -1.18 0.00 0.00 32.58 32.08 1i3r s HIS 167 CO 0.04 -0.35 1.44 0.91 -0.65 0.00 0.00 174.74 176.13 1i3r n TRP 168 N 1.23 0.51 1.13 3.88 7.02 -1.26 -0.47 117.44 129.47 1i3r n TRP 168 Ca -0.22 0.27 0.12 0.00 -1.02 0.00 0.00 57.50 56.65 1i3r n TRP 168 Cb 0.56 -0.90 0.32 0.00 -2.42 0.00 0.00 31.31 28.88 1i3r n TRP 168 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1i3r n GLY 169 N -1.35 0.61 3.54 6.99 0.00 -1.26 -4.86 105.19 108.85 1i3r n GLY 169 Ca -0.01 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1i3r n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3r s LEU 170 N -1.84 3.32 0.07 0.99 1.43 0.38 -4.29 118.68 118.73 1i3r s LEU 170 Ca 0.34 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.14 1i3r s LEU 170 Cb 0.20 -1.79 -0.15 0.00 0.03 0.00 0.00 46.19 44.48 1i3r s LEU 170 CO 0.31 0.21 1.62 -0.33 0.23 0.00 0.00 176.35 178.39 1i3r h GLU 171 N 6.37 0.04 -5.21 1.70 5.08 -1.89 -3.45 114.58 117.22 1i3r h GLU 171 Ca -0.36 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.61 1i3r h GLU 171 Cb 1.19 -0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.22 1i3r h GLU 171 CO 0.61 0.16 -0.77 -1.83 -1.00 0.00 0.00 179.01 176.19 1i3r s GLU 172 N -5.66 0.81 0.24 2.33 -1.05 -1.26 -5.11 118.70 109.00 1i3r s GLU 172 Ca -0.14 -0.99 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 1i3r s GLU 172 Cb 0.05 -0.73 -0.15 0.00 -0.44 0.00 0.00 34.13 32.86 1i3r s GLU 172 CO 0.67 0.15 1.00 -2.30 0.95 0.00 0.00 175.26 175.74 1i3r n PRO 173 N 1.13 1.13 -3.43 -4.83 -0.02 -1.26 -4.93 135.00 122.79 1i3r n PRO 173 Ca -0.20 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1i3r n PRO 173 Cb 0.55 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.17 1i3r n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1i3r s LEU 174 N 0.80 4.06 -0.08 2.45 2.96 0.57 -4.91 118.68 124.53 1i3r s LEU 174 Ca 0.64 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1i3r s LEU 174 Cb -0.78 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 1i3r s LEU 174 CO 0.57 -0.14 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.72 1i3r s ARG 175 N 1.85 2.85 -0.05 1.98 3.52 -1.26 0.00 118.95 127.85 1i3r s ARG 175 Ca 0.14 -0.70 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 1i3r s ARG 175 Cb -0.15 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 1i3r s ARG 175 CO 0.09 0.45 -0.25 0.15 -0.81 0.00 0.00 175.30 174.93 1i3r s LYS 176 N -0.28 2.43 0.08 5.12 -0.14 -0.54 -4.98 119.74 121.42 1i3r s LYS 176 Ca 0.02 -0.91 0.02 0.00 -1.36 0.00 0.00 55.97 53.74 1i3r s LYS 176 Cb -0.13 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 1i3r s LYS 176 CO 0.03 0.43 0.14 -1.58 -0.76 0.00 0.00 175.35 173.61 1i3r s HIS 177 N -0.29 3.32 -0.12 3.18 5.65 -1.26 -1.49 115.29 124.29 1i3r s HIS 177 Ca 0.00 0.14 -0.15 0.00 0.25 0.00 0.00 55.06 55.30 1i3r s HIS 177 Cb -0.13 -1.67 0.04 0.00 -1.18 0.00 0.00 32.58 29.64 1i3r s HIS 177 CO 0.02 0.55 0.40 -0.46 -0.65 0.00 0.00 174.74 174.60 1i3r s TRP 178 N -1.46 -0.40 0.05 3.88 -0.00 -0.18 -4.95 118.94 115.89 1i3r s TRP 178 Ca 0.32 0.90 -0.26 0.00 -0.00 0.00 0.00 56.10 57.06 1i3r s TRP 178 Cb -0.12 0.15 0.07 0.00 -0.00 0.00 0.00 33.47 33.56 1i3r s TRP 178 CO 0.25 -0.27 0.61 -1.83 -0.00 0.00 0.00 176.95 175.71 1i3r s GLU 179 N -0.20 1.14 0.57 5.86 -1.05 -1.26 0.97 118.70 124.74 1i3r s GLU 179 Ca -0.04 -0.14 -0.21 0.00 -0.15 0.00 0.00 54.97 54.44 1i3r s GLU 179 Cb -0.03 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1i3r s GLU 179 CO 0.02 -0.43 1.32 0.34 0.95 0.00 0.00 175.26 177.46 1i3r n PHE 180 N 0.29 2.13 -3.70 4.83 7.35 -1.26 -5.03 117.46 122.06 1i3r n PHE 180 Ca -0.18 0.43 -0.15 0.00 -0.76 0.00 0.00 57.45 56.79 1i3r n PHE 180 Cb 0.61 -2.33 -0.15 0.00 0.35 0.00 0.00 39.48 37.96 1i3r n PHE 180 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1i3r s GLU 181 N -2.99 0.07 0.00 -4.13 4.04 -1.26 -4.98 118.70 109.45 1i3r s GLU 181 Ca 0.75 0.49 0.10 0.00 0.04 0.00 0.00 54.97 56.35 1i3r s GLU 181 Cb -0.41 -0.22 0.62 0.00 0.02 0.00 0.00 34.13 34.15 1i3r s GLU 181 CO 0.47 -0.24 1.06 0.39 -1.84 0.00 0.00 175.26 175.10