#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1r n LEU 3 N 0.00 -2.88 -4.27 2.23 4.32 -1.26 -5.06 117.00 110.08 1i1r n LEU 3 Ca 0.00 -0.24 -0.24 0.00 -0.02 0.00 0.00 56.01 55.51 1i1r n LEU 3 Cb 0.00 -1.50 -0.13 0.00 -1.62 0.00 0.00 43.42 40.18 1i1r n LEU 3 CO 0.00 0.12 -0.51 -1.81 -1.22 0.00 0.00 177.39 173.97 1i1r s ASP 4 N -3.44 2.46 1.01 -1.43 1.01 -1.26 -5.16 116.67 109.85 1i1r s ASP 4 Ca 0.03 -0.66 -0.14 0.00 0.71 0.00 0.00 52.55 52.50 1i1r s ASP 4 Cb -0.00 -0.14 0.09 0.00 1.01 0.00 0.00 42.92 43.87 1i1r s ASP 4 CO 0.28 0.06 0.47 -0.81 0.21 0.00 0.00 175.17 175.37 1i1r n PRO 5 N 1.22 -0.81 0.00 8.23 -0.04 -1.26 -5.05 135.00 137.28 1i1r n PRO 5 Ca -0.19 -0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 62.99 1i1r n PRO 5 Cb 0.54 -1.92 -0.13 0.00 -0.04 0.00 0.00 33.50 31.94 1i1r n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i1r n GLY 7 N 1.49 1.21 3.57 0.00 0.00 -1.26 -0.44 105.19 109.77 1i1r n GLY 7 Ca -0.12 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1i1r n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i1r s TYR 8 N -3.44 -0.05 -0.06 1.61 -0.85 -0.71 -4.68 117.35 109.17 1i1r s TYR 8 Ca 0.00 -0.31 0.01 0.00 -0.52 0.00 0.00 57.07 56.25 1i1r s TYR 8 Cb 0.00 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 1i1r s TYR 8 CO 0.00 -0.97 -0.07 0.42 -1.52 0.00 0.00 175.55 173.42 1i1r s ILE 9 N -3.90 3.69 0.00 -3.49 1.01 -1.26 -1.04 121.20 116.21 1i1r s ILE 9 Ca 0.11 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1i1r s ILE 9 Cb -0.01 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1i1r s ILE 9 CO 0.00 0.59 -0.14 -0.55 0.00 0.00 0.00 174.94 174.84 1i1r s SER 10 N -0.84 1.61 0.45 3.58 0.15 0.89 -3.88 113.70 115.65 1i1r s SER 10 Ca 0.13 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.26 1i1r s SER 10 Cb -0.11 -0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 63.95 1i1r s SER 10 CO 0.02 0.14 1.04 -2.16 1.20 0.00 0.00 173.24 173.47 1i1r s PRO 11 N -0.50 3.98 0.13 5.44 0.04 -1.26 -0.30 135.00 142.53 1i1r s PRO 11 Ca 0.04 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1i1r s PRO 11 Cb -0.06 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1i1r s PRO 11 CO -0.00 -0.28 1.45 -1.91 0.04 0.00 0.00 177.00 176.29 1i1r n GLU 12 N -0.57 -0.36 -2.92 4.56 0.00 -1.25 -4.27 120.64 115.82 1i1r n GLU 12 Ca 0.07 1.42 -0.10 0.00 0.00 0.00 0.00 57.16 58.55 1i1r n GLU 12 Cb 0.51 -2.09 -0.02 0.00 0.00 0.00 0.00 31.44 29.84 1i1r n GLU 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1i1r n SER 13 N -4.86 -2.65 -4.81 4.31 7.64 -1.26 -4.70 113.62 107.28 1i1r n SER 13 Ca 0.02 -2.80 -0.33 0.00 1.01 0.00 0.00 58.87 56.77 1i1r n SER 13 Cb 0.22 1.15 -0.00 0.00 -1.01 0.00 0.00 64.21 64.57 1i1r n SER 13 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1i1r s PRO 14 N 0.63 3.46 -0.09 1.43 0.04 -1.26 -4.96 135.00 134.25 1i1r s PRO 14 Ca 0.31 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.55 1i1r s PRO 14 Cb 0.02 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1i1r s PRO 14 CO -0.10 -0.70 -0.15 0.08 0.04 0.00 0.00 177.00 176.18 1i1r s VAL 15 N -2.43 1.40 0.24 -0.36 1.01 -1.25 -1.71 120.40 117.29 1i1r s VAL 15 Ca 0.63 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1i1r s VAL 15 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1i1r s VAL 15 CO 0.34 0.42 -0.04 0.68 0.00 0.00 0.00 175.10 176.50 1i1r s VAL 16 N 0.75 1.30 0.19 2.92 -7.23 0.14 -4.96 120.40 113.51 1i1r s VAL 16 Ca -0.12 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 57.74 1i1r s VAL 16 Cb -0.16 -2.31 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 1i1r s VAL 16 CO 0.02 -0.38 0.75 -1.58 -0.31 0.00 0.00 175.10 173.61 1i1r s GLN 17 N -3.79 4.42 0.37 4.82 0.74 -1.26 -1.60 119.66 123.36 1i1r s GLN 17 Ca 0.27 1.03 -0.27 0.00 0.05 0.00 0.00 55.36 56.44 1i1r s GLN 17 Cb 0.04 -3.08 -0.11 0.00 1.10 0.00 0.00 33.01 30.96 1i1r s GLN 17 CO 0.09 0.49 1.21 1.28 -0.55 0.00 0.00 175.29 177.80 1i1r n LEU 18 N 1.20 3.33 0.00 3.68 4.77 0.49 -2.14 117.00 128.33 1i1r n LEU 18 Ca -0.04 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 1i1r n LEU 18 Cb 0.50 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1i1r n LEU 18 CO 0.44 -0.80 0.00 1.41 -1.33 0.00 0.00 177.39 177.12 1i1r n HIS 19 N 0.04 0.00 -2.72 -1.77 8.25 0.11 -4.94 115.22 114.19 1i1r n HIS 19 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1i1r n HIS 19 Cb 0.37 -0.41 0.06 0.00 1.12 0.00 0.00 29.99 31.14 1i1r n HIS 19 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1i1r n SER 20 N -0.18 1.11 -4.59 0.41 3.41 -0.91 -4.25 113.62 108.61 1i1r n SER 20 Ca 0.00 -1.86 -0.30 0.00 -0.26 0.00 0.00 58.87 56.45 1i1r n SER 20 Cb 0.09 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 1i1r n SER 20 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i1r s ASN 21 N -3.55 4.49 -0.03 4.04 0.01 -1.26 -1.21 114.94 117.43 1i1r s ASN 21 Ca 0.42 -0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1i1r s ASN 21 Cb -0.03 -0.90 0.03 0.00 0.41 0.00 0.00 41.25 40.76 1i1r s ASN 21 CO 0.28 0.18 0.02 0.12 -1.51 0.00 0.00 177.10 176.19 1i1r s PHE 22 N -1.22 0.17 -0.14 2.20 5.36 0.42 -4.99 117.98 119.78 1i1r s PHE 22 Ca 0.22 0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 56.26 1i1r s PHE 22 Cb -0.11 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.21 1i1r s PHE 22 CO 0.14 -0.12 -0.13 0.99 -1.46 0.00 0.00 175.22 174.65 1i1r s THR 23 N 1.15 3.04 -0.09 0.12 2.01 -1.26 -0.26 115.64 120.36 1i1r s THR 23 Ca -0.08 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1i1r s THR 23 Cb -0.13 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1i1r s THR 23 CO -0.02 0.52 -0.10 0.00 -0.69 0.00 0.00 174.62 174.32 1i1r s ALA 24 N 0.47 2.83 -0.12 7.40 0.00 -0.46 -4.49 121.76 127.38 1i1r s ALA 24 Ca -0.09 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1i1r s ALA 24 Cb -0.16 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1i1r s ALA 24 CO 0.04 0.46 -0.22 0.08 0.00 0.00 0.00 175.76 176.12 1i1r s VAL 25 N -0.41 2.03 -0.21 0.00 1.01 0.59 -1.75 120.40 121.66 1i1r s VAL 25 Ca 0.05 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1i1r s VAL 25 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1i1r s VAL 25 CO 0.02 0.55 0.05 0.00 0.00 0.00 0.00 175.10 175.72 1i1r s VAL 27 N 0.94 1.75 -0.06 0.00 -7.23 -0.21 -1.55 120.40 114.04 1i1r s VAL 27 Ca 0.03 -0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 1i1r s VAL 27 Cb -0.14 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 1i1r s VAL 27 CO 0.02 0.49 0.37 -0.76 -0.31 0.00 0.00 175.10 174.91 1i1r s LEU 28 N 0.09 4.40 0.47 1.32 1.43 -0.53 -1.74 118.68 124.11 1i1r s LEU 28 Ca -0.08 0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 53.61 1i1r s LEU 28 Cb -0.14 -2.50 -0.08 0.00 0.03 0.00 0.00 46.19 43.50 1i1r s LEU 28 CO 0.04 0.25 1.11 -0.54 0.23 0.00 0.00 176.35 177.45 1i1r s LYS 29 N -0.58 3.78 0.19 1.70 1.02 0.42 -4.88 119.74 121.40 1i1r s LYS 29 Ca 0.22 1.62 -0.12 0.00 0.02 0.00 0.00 55.97 57.71 1i1r s LYS 29 Cb -0.15 -2.31 0.18 0.00 -0.52 0.00 0.00 37.83 35.03 1i1r s LYS 29 CO 0.10 -0.50 1.78 1.49 -0.92 0.00 0.00 175.35 177.31 1i1r h GLU 30 N 1.92 0.49 -0.73 1.68 4.57 -1.98 -1.02 114.58 119.51 1i1r h GLU 30 Ca -0.49 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 57.70 1i1r h GLU 30 Cb 1.24 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 1i1r h GLU 30 CO 0.60 0.33 0.44 -0.22 -1.18 0.00 0.00 179.01 178.98 1i1r h LYS 31 N 0.51 0.81 -0.56 1.92 3.64 -1.94 -0.66 116.57 120.30 1i1r h LYS 31 Ca 0.25 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1i1r h LYS 31 Cb 0.19 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1i1r h LYS 31 CO -0.19 0.54 0.03 0.00 -2.27 0.00 0.00 179.45 177.56 1i1r h MET 33 N 0.85 1.22 -0.06 0.00 2.86 -0.36 -1.91 114.93 117.54 1i1r h MET 33 Ca 0.16 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1i1r h MET 33 Cb 0.50 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1i1r h MET 33 CO 0.02 0.81 0.00 -0.44 1.06 0.00 0.00 176.91 178.37 1i1r h ASP 34 N 1.25 0.10 -0.17 1.22 3.45 -0.85 0.70 116.42 122.12 1i1r h ASP 34 Ca 0.34 -0.29 0.04 0.00 0.43 0.00 0.00 57.03 57.55 1i1r h ASP 34 Cb -0.13 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 38.56 1i1r h ASP 34 CO -0.07 0.36 -0.13 0.22 -1.57 0.00 0.00 179.24 178.05 1i1r h TYR 35 N -0.17 -0.32 -0.00 4.55 3.20 -0.92 -2.88 116.97 120.43 1i1r h TYR 35 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1i1r h TYR 35 Cb 0.31 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1i1r h TYR 35 CO 0.02 -0.19 -0.44 1.19 -1.64 0.00 0.00 178.16 177.10 1i1r n PHE 36 N -5.28 0.00 -3.18 -3.82 3.01 -0.75 -4.97 117.46 102.47 1i1r n PHE 36 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.29 1i1r n PHE 36 Cb 0.20 -0.20 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1i1r n PHE 36 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1i1r n HIS 37 N -1.21 -2.07 -4.34 1.38 8.25 0.17 -4.56 115.22 112.85 1i1r n HIS 37 Ca 0.08 0.81 -0.19 0.00 -0.26 0.00 0.00 57.72 58.15 1i1r n HIS 37 Cb 0.34 -4.38 -0.09 0.00 1.12 0.00 0.00 29.99 26.98 1i1r n HIS 37 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1i1r s VAL 38 N -3.33 0.27 0.36 1.59 -7.23 -0.81 -4.90 120.40 106.34 1i1r s VAL 38 Ca 0.19 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 1i1r s VAL 38 Cb -0.02 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1i1r s VAL 38 CO 0.66 0.00 0.66 -0.46 -0.31 0.00 0.00 175.10 175.65 1i1r n ASN 39 N -1.08 -1.92 -0.33 4.85 0.23 -1.26 -4.64 115.26 111.11 1i1r n ASN 39 Ca 0.02 -2.57 0.32 0.00 -0.53 0.00 0.00 54.58 51.81 1i1r n ASN 39 Cb 0.64 3.26 0.58 0.00 -2.08 0.00 0.00 39.78 42.19 1i1r n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i1r h ALA 40 N 2.00 2.19 0.00 -2.53 0.00 -1.35 1.02 119.26 120.59 1i1r h ALA 40 Ca -0.30 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i1r h ALA 40 Cb 1.15 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1i1r h ALA 40 CO 0.38 -0.96 0.00 -0.91 0.00 0.00 0.00 179.25 177.77 1i1r h ASN 41 N 0.03 0.00 0.02 0.00 2.35 -1.91 -0.40 115.58 115.67 1i1r h ASN 41 Ca 0.84 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.59 1i1r h ASN 41 Cb 2.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.60 1i1r h ASN 41 CO -0.73 0.00 -0.07 -1.22 -1.65 0.00 0.00 177.43 173.76 1i1r n TYR 42 N -2.62 0.00 -2.62 1.19 4.01 0.35 -4.91 117.16 112.56 1i1r n TYR 42 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1i1r n TYR 42 Cb 0.05 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 1i1r n TYR 42 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1i1r s ILE 43 N -2.10 4.44 0.01 -0.72 -1.09 -0.16 0.10 121.20 121.68 1i1r s ILE 43 Ca 0.32 1.86 0.08 0.00 -2.23 0.00 0.00 60.65 60.68 1i1r s ILE 43 Cb 0.20 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1i1r s ILE 43 CO 0.37 0.20 -0.25 0.68 -1.23 0.00 0.00 174.94 174.71 1i1r s VAL 44 N 0.59 1.99 -0.08 2.92 -7.23 0.12 -4.93 120.40 113.77 1i1r s VAL 44 Ca 0.52 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1i1r s VAL 44 Cb -0.25 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1i1r s VAL 44 CO 0.30 0.47 -0.07 0.26 -0.31 0.00 0.00 175.10 175.74 1i1r s TRP 45 N -0.67 2.93 0.05 2.82 0.52 -1.26 -1.03 118.94 122.30 1i1r s TRP 45 Ca 0.10 -0.04 0.04 0.00 0.02 0.00 0.00 56.10 56.22 1i1r s TRP 45 Cb -0.10 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1i1r s TRP 45 CO 0.00 0.27 -0.12 0.15 0.02 0.00 0.00 176.95 177.27 1i1r s LYS 46 N -0.64 0.76 -0.03 4.98 1.02 -0.62 0.10 119.74 125.31 1i1r s LYS 46 Ca 0.10 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1i1r s LYS 46 Cb -0.11 -0.71 0.02 0.00 -0.52 0.00 0.00 37.83 36.51 1i1r s LYS 46 CO 0.02 0.16 -0.02 0.95 -0.92 0.00 0.00 175.35 175.54 1i1r s THR 47 N -1.10 0.32 -1.45 2.17 -4.23 -0.24 -0.30 115.64 110.81 1i1r s THR 47 Ca -0.03 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1i1r s THR 47 Cb -0.09 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1i1r s THR 47 CO 0.01 0.17 0.27 0.59 -0.54 0.00 0.00 174.62 175.13 1i1r n ASN 48 N 4.04 -0.06 0.00 3.99 3.02 -0.84 -0.43 115.26 124.98 1i1r n ASN 48 Ca -0.26 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1i1r n ASN 48 Cb 0.51 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.23 1i1r n ASN 48 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1i1r n HIS 49 N -4.49 0.00 -4.34 3.10 8.25 -1.26 -4.98 115.22 111.50 1i1r n HIS 49 Ca -0.31 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.81 1i1r n HIS 49 Cb 0.69 -1.42 -0.13 0.00 1.12 0.00 0.00 29.99 30.25 1i1r n HIS 49 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1i1r s PHE 50 N -1.36 3.00 0.04 4.41 0.40 0.43 -5.07 117.98 119.84 1i1r s PHE 50 Ca 0.00 -0.41 -0.31 0.00 -0.60 0.00 0.00 56.93 55.62 1i1r s PHE 50 Cb 0.00 -1.98 -0.07 0.00 0.51 0.00 0.00 43.02 41.48 1i1r s PHE 50 CO 0.00 -0.13 1.54 0.99 0.70 0.00 0.00 175.22 178.32 1i1r s THR 51 N 0.57 3.32 0.02 0.64 2.01 -1.26 -1.08 115.64 119.85 1i1r s THR 51 Ca -0.03 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 1i1r s THR 51 Cb -0.14 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1i1r s THR 51 CO 0.03 0.00 1.20 -0.63 -0.69 0.00 0.00 174.62 174.53 1i1r s ILE 52 N 2.47 4.12 0.13 1.82 1.01 0.29 -4.94 121.20 126.10 1i1r s ILE 52 Ca 0.69 1.50 -0.31 0.00 0.00 0.00 0.00 60.65 62.53 1i1r s ILE 52 Cb -0.36 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1i1r s ILE 52 CO 0.30 0.08 1.81 -2.16 0.00 0.00 0.00 174.94 174.97 1i1r s PRO 53 N 1.46 4.14 0.43 2.79 0.04 -1.26 -4.56 135.00 138.04 1i1r s PRO 53 Ca 0.58 2.58 0.36 0.00 0.04 0.00 0.00 61.00 64.56 1i1r s PRO 53 Cb -0.28 -3.56 1.41 0.00 0.04 0.00 0.00 34.50 32.11 1i1r s PRO 53 CO 0.27 -0.83 1.36 1.17 0.04 0.00 0.00 177.00 179.01 1i1r n LYS 54 N 5.55 -0.02 0.19 4.56 4.81 -1.26 -0.48 118.16 131.52 1i1r n LYS 54 Ca 0.17 1.02 0.14 0.00 -0.87 0.00 0.00 58.31 58.77 1i1r n LYS 54 Cb 0.38 -2.17 0.62 0.00 0.02 0.00 0.00 35.03 33.89 1i1r n LYS 54 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1i1r h GLU 55 N 0.00 0.00 -0.01 1.64 3.07 -2.03 -1.82 114.58 115.42 1i1r h GLU 55 Ca 0.79 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1i1r h GLU 55 Cb 2.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.80 1i1r h GLU 55 CO -0.21 0.00 -0.12 1.04 -1.40 0.00 0.00 179.01 178.32 1i1r n GLN 56 N -2.54 1.41 -2.55 2.33 6.02 0.37 -4.90 117.38 117.52 1i1r n GLN 56 Ca 0.01 -0.89 -0.31 0.00 -0.01 0.00 0.00 57.00 55.79 1i1r n GLN 56 Cb 0.21 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1i1r n GLN 56 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1i1r s TYR 57 N -2.21 3.49 -0.11 1.08 2.02 -0.69 -4.53 117.35 116.39 1i1r s TYR 57 Ca 0.31 1.22 -0.03 0.00 -0.37 0.00 0.00 57.07 58.20 1i1r s TYR 57 Cb 0.20 -2.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.20 1i1r s TYR 57 CO 0.41 -0.28 0.07 -0.08 -1.57 0.00 0.00 175.55 174.09 1i1r s THR 58 N -2.58 -0.01 -0.42 -0.71 -1.32 -0.49 -4.97 115.64 105.14 1i1r s THR 58 Ca 0.54 0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.80 1i1r s THR 58 Cb -0.10 -0.44 0.02 0.00 -1.51 0.00 0.00 72.50 70.47 1i1r s THR 58 CO 0.35 -0.05 1.17 -0.63 -2.21 0.00 0.00 174.62 173.25 1i1r s ILE 59 N 2.12 4.23 0.04 5.08 1.09 -1.26 -1.15 121.20 131.35 1i1r s ILE 59 Ca 0.03 1.32 -0.01 0.00 -1.10 0.00 0.00 60.65 60.88 1i1r s ILE 59 Cb -0.14 -4.47 -0.27 0.00 -1.06 0.00 0.00 42.46 36.52 1i1r s ILE 59 CO -0.06 -0.81 1.01 0.16 -0.10 0.00 0.00 174.94 175.14 1i1r h ILE 60 N 6.12 1.34 -3.25 2.92 3.07 -1.45 -3.48 117.51 122.78 1i1r h ILE 60 Ca -0.23 -2.97 -0.00 0.00 1.55 0.00 0.00 64.86 63.20 1i1r h ILE 60 Cb 1.07 2.82 -0.05 0.00 -0.27 0.00 0.00 36.82 40.39 1i1r h ILE 60 CO 1.09 0.85 0.12 0.54 -1.05 0.00 0.00 178.15 179.70 1i1r s ASN 61 N -6.96 -0.09 0.14 2.16 2.20 -1.20 -4.98 114.94 106.20 1i1r s ASN 61 Ca -0.06 -0.85 0.13 0.00 -0.94 0.00 0.00 52.86 51.14 1i1r s ASN 61 Cb 0.07 0.71 0.63 0.00 -2.00 0.00 0.00 41.25 40.66 1i1r s ASN 61 CO 0.86 -1.35 1.40 -2.11 -2.94 0.00 0.00 177.10 172.95 1i1r n ARG 62 N -0.46 0.07 0.04 3.55 1.85 -1.26 -1.54 116.66 118.91 1i1r n ARG 62 Ca -0.04 0.48 0.11 0.00 -1.00 0.00 0.00 57.85 57.41 1i1r n ARG 62 Cb 0.60 -1.70 -0.09 0.00 -1.05 0.00 0.00 32.46 30.22 1i1r n ARG 62 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1i1r n THR 63 N -1.85 0.24 -3.97 8.89 -1.04 -1.26 -1.07 114.28 114.22 1i1r n THR 63 Ca 0.01 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.05 61.42 1i1r n THR 63 Cb 0.08 -0.08 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 1i1r n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1r s ALA 64 N -3.42 0.16 0.18 2.41 0.00 -0.59 -1.46 121.76 119.05 1i1r s ALA 64 Ca -0.04 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.70 1i1r s ALA 64 Cb 0.12 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1i1r s ALA 64 CO 0.85 -0.05 -0.24 0.45 0.00 0.00 0.00 175.76 176.77 1i1r s SER 65 N -0.75 3.37 0.04 0.00 0.15 -0.59 -1.07 113.70 114.85 1i1r s SER 65 Ca -0.07 -0.85 -0.10 0.00 0.70 0.00 0.00 55.95 55.63 1i1r s SER 65 Cb -0.05 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1i1r s SER 65 CO -0.00 0.12 0.21 -0.94 1.20 0.00 0.00 173.24 173.82 1i1r s SER 66 N -2.61 0.02 0.10 5.45 1.04 -0.30 0.03 113.70 117.44 1i1r s SER 66 Ca 0.20 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.33 1i1r s SER 66 Cb -0.08 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1i1r s SER 66 CO 0.09 -0.57 -0.15 0.68 0.98 0.00 0.00 173.24 174.27 1i1r s VAL 67 N -2.61 1.30 -0.12 5.02 -7.23 -0.71 -1.40 120.40 114.65 1i1r s VAL 67 Ca -0.05 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1i1r s VAL 67 Cb -0.01 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.62 1i1r s VAL 67 CO -0.04 -0.27 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.50 1i1r s THR 68 N -1.60 1.15 -0.09 5.32 2.01 -1.26 -1.35 115.64 119.83 1i1r s THR 68 Ca 0.04 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 1i1r s THR 68 Cb -0.08 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1i1r s THR 68 CO 0.03 0.39 0.27 -0.36 -0.69 0.00 0.00 174.62 174.26 1i1r s PHE 69 N 1.65 3.61 0.09 4.92 0.40 0.65 -4.95 117.98 124.35 1i1r s PHE 69 Ca 0.05 0.71 0.09 0.00 -0.60 0.00 0.00 56.93 57.18 1i1r s PHE 69 Cb -0.13 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 1i1r s PHE 69 CO -0.09 0.58 -0.24 0.95 0.70 0.00 0.00 175.22 177.12 1i1r s THR 70 N -0.67 1.98 -1.37 0.64 -4.23 -1.26 -0.44 115.64 110.29 1i1r s THR 70 Ca 0.18 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1i1r s THR 70 Cb -0.14 -1.74 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1i1r s THR 70 CO 0.07 0.12 0.75 -0.67 -0.54 0.00 0.00 174.62 174.36 1i1r n ASP 71 N 1.30 -2.00 -4.65 3.99 2.03 -0.35 -4.81 116.55 112.06 1i1r n ASP 71 Ca -0.18 -0.82 -0.56 0.00 0.52 0.00 0.00 54.79 53.75 1i1r n ASP 71 Cb 0.53 -3.96 -0.07 0.00 -0.72 0.00 0.00 41.12 36.90 1i1r n ASP 71 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1i1r n ILE 72 N -4.38 0.15 -0.09 5.18 5.41 -0.49 -4.50 119.36 120.63 1i1r n ILE 72 Ca -0.22 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1i1r n ILE 72 Cb 0.64 -0.95 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 1i1r n ILE 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i1r n ALA 73 N 3.93 1.89 -2.69 -1.39 0.00 -1.26 0.04 120.51 121.02 1i1r n ALA 73 Ca 0.23 -0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1i1r n ALA 73 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 1i1r n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i1r s SER 74 N -0.39 6.55 0.38 0.00 0.15 -1.26 -4.97 113.70 114.16 1i1r s SER 74 Ca 0.00 0.65 0.15 0.00 0.70 0.00 0.00 55.95 57.45 1i1r s SER 74 Cb 0.00 -2.19 0.78 0.00 -1.71 0.00 0.00 66.02 62.90 1i1r s SER 74 CO 0.00 0.21 1.83 -0.07 1.20 0.00 0.00 173.24 176.40 1i1r h LEU 75 N 5.85 0.00 -7.30 3.45 4.07 -1.92 -3.41 115.31 116.05 1i1r h LEU 75 Ca -0.46 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.20 1i1r h LEU 75 Cb 1.19 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 42.58 1i1r h LEU 75 CO 0.69 0.36 -0.64 0.21 -1.08 0.00 0.00 178.44 177.97 1i1r s ASN 76 N -6.75 0.63 -0.14 -0.43 2.47 -1.26 -1.61 114.94 107.85 1i1r s ASN 76 Ca -0.02 0.29 0.02 0.00 0.42 0.00 0.00 52.86 53.57 1i1r s ASN 76 Cb 0.14 0.21 0.01 0.00 -1.45 0.00 0.00 41.25 40.16 1i1r s ASN 76 CO 0.70 -0.23 -0.19 -0.63 -3.72 0.00 0.00 177.10 173.04 1i1r s ILE 77 N 2.06 1.87 -0.36 -5.21 -1.09 0.07 -4.96 121.20 113.57 1i1r s ILE 77 Ca 0.01 -0.85 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 1i1r s ILE 77 Cb -0.12 -1.68 -0.00 0.00 -1.58 0.00 0.00 42.46 39.08 1i1r s ILE 77 CO -0.05 0.51 0.35 -1.58 -1.23 0.00 0.00 174.94 172.94 1i1r s GLN 78 N 1.01 3.42 -0.13 2.79 0.74 -1.26 0.75 119.66 126.98 1i1r s GLN 78 Ca -0.03 -0.57 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 1i1r s GLN 78 Cb -0.15 -3.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 1i1r s GLN 78 CO -0.05 -0.59 -0.00 -1.17 -0.55 0.00 0.00 175.29 172.93 1i1r s LEU 79 N 1.96 3.49 0.01 3.68 0.20 0.00 -1.99 118.68 126.03 1i1r s LEU 79 Ca 0.10 0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.99 1i1r s LEU 79 Cb -0.17 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.75 1i1r s LEU 79 CO 0.12 0.27 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.43 1i1r s THR 80 N -0.22 0.97 -0.16 3.68 2.01 0.58 -1.15 115.64 121.35 1i1r s THR 80 Ca 0.05 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 1i1r s THR 80 Cb -0.12 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1i1r s THR 80 CO 0.02 0.16 -0.11 0.00 -0.69 0.00 0.00 174.62 174.01 1i1r s ASN 82 N 0.79 1.47 -0.01 0.00 0.01 -0.20 -0.05 114.94 116.97 1i1r s ASN 82 Ca -0.04 -0.94 0.04 0.00 -0.71 0.00 0.00 52.86 51.22 1i1r s ASN 82 Cb -0.15 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.51 1i1r s ASN 82 CO 0.01 -0.34 -0.12 0.27 -1.51 0.00 0.00 177.10 175.40 1i1r s ILE 83 N -3.08 3.24 -1.17 0.60 -0.00 -0.12 0.12 121.20 120.80 1i1r s ILE 83 Ca 0.11 -0.85 -0.12 0.00 -0.00 0.00 0.00 60.65 59.79 1i1r s ILE 83 Cb 0.01 -2.35 0.21 0.00 -0.00 0.00 0.00 42.46 40.34 1i1r s ILE 83 CO -0.01 0.45 1.30 -0.22 -0.00 0.00 0.00 174.94 176.46 1i1r s LEU 84 N -1.18 5.58 0.54 0.37 2.96 0.12 -1.77 118.68 125.30 1i1r s LEU 84 Ca 0.14 -3.24 -0.21 0.00 -0.22 0.00 0.00 54.13 50.61 1i1r s LEU 84 Cb -0.11 -2.32 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 1i1r s LEU 84 CO 0.04 -0.56 1.21 0.42 -1.32 0.00 0.00 176.35 176.15 1i1r s THR 85 N 0.42 2.73 0.30 3.68 -4.23 0.13 -4.84 115.64 113.81 1i1r s THR 85 Ca 0.38 0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 61.12 1i1r s THR 85 Cb -0.06 -3.22 -0.15 0.00 1.34 0.00 0.00 72.50 70.41 1i1r s THR 85 CO -0.03 -0.06 0.73 0.49 -0.54 0.00 0.00 174.62 175.21 1i1r n PHE 86 N -1.14 0.26 -0.17 3.99 3.01 -1.26 -1.69 117.46 120.45 1i1r n PHE 86 Ca 0.11 0.76 0.00 0.00 1.01 0.00 0.00 57.45 59.33 1i1r n PHE 86 Cb 0.48 -2.09 0.00 0.00 -0.01 0.00 0.00 39.48 37.86 1i1r n PHE 86 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i1r n GLY 87 N 1.61 0.91 3.35 1.37 0.00 -1.26 -4.09 105.19 107.08 1i1r n GLY 87 Ca 0.13 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1i1r n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1r n GLN 88 N -2.17 -6.06 -3.55 1.61 6.02 -1.15 -4.96 117.38 107.11 1i1r n GLN 88 Ca 0.00 0.82 -0.38 0.00 -0.01 0.00 0.00 57.00 57.44 1i1r n GLN 88 Cb 0.00 -5.76 -0.09 0.00 1.02 0.00 0.00 30.24 25.41 1i1r n GLN 88 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1i1r s LEU 89 N -6.98 4.09 -0.19 1.08 0.20 -0.68 -4.99 118.68 111.21 1i1r s LEU 89 Ca 0.46 0.19 -0.09 0.00 0.69 0.00 0.00 54.13 55.38 1i1r s LEU 89 Cb -0.21 -2.24 -0.05 0.00 -0.43 0.00 0.00 46.19 43.27 1i1r s LEU 89 CO 0.56 -0.03 0.10 -0.70 -0.29 0.00 0.00 176.35 176.00 1i1r s GLU 90 N 1.42 4.09 0.01 1.98 2.12 -1.26 -0.70 118.70 126.36 1i1r s GLU 90 Ca 0.11 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.21 1i1r s GLU 90 Cb -0.15 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1i1r s GLU 90 CO 0.07 0.29 -0.14 -0.65 -0.54 0.00 0.00 175.26 174.30 1i1r s GLN 91 N 0.35 1.03 -0.08 4.30 -0.21 -0.73 -4.98 119.66 119.34 1i1r s GLN 91 Ca 0.06 -0.61 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 1i1r s GLN 91 Cb -0.12 -1.02 -0.02 0.00 1.00 0.00 0.00 33.01 32.86 1i1r s GLN 91 CO -0.01 0.27 0.98 1.21 -2.12 0.00 0.00 175.29 175.61 1i1r s ASN 92 N -0.68 7.25 -0.15 5.90 3.84 -1.26 -0.94 114.94 128.91 1i1r s ASN 92 Ca 0.04 1.53 -0.10 0.00 0.21 0.00 0.00 52.86 54.54 1i1r s ASN 92 Cb -0.06 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 38.05 1i1r s ASN 92 CO 0.00 -0.37 -0.19 0.52 -2.79 0.00 0.00 177.10 174.27 1i1r n VAL 93 N 4.33 1.43 -3.90 -5.21 0.31 0.93 -4.93 118.33 111.29 1i1r n VAL 93 Ca 0.07 0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.52 1i1r n VAL 93 Cb 0.50 -2.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 1i1r n VAL 93 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1i1r s TYR 94 N -2.31 0.26 0.07 3.52 5.04 -0.88 -4.49 117.35 118.55 1i1r s TYR 94 Ca -0.16 -0.75 -0.26 0.00 -2.44 0.00 0.00 57.07 53.46 1i1r s TYR 94 Cb 0.02 0.53 0.07 0.00 0.35 0.00 0.00 41.96 42.93 1i1r s TYR 94 CO 0.24 -1.31 0.62 0.20 -1.34 0.00 0.00 175.55 173.96 1i1r s GLY 95 N -3.06 -0.58 0.09 8.97 0.00 -1.26 -0.43 107.32 111.05 1i1r s GLY 95 Ca 0.18 0.81 -0.10 0.00 0.00 0.00 0.00 44.72 45.61 1i1r s GLY 95 CO 0.12 0.47 0.23 -0.26 0.00 0.00 0.00 173.10 173.66 1i1r s ILE 96 N -2.64 0.12 -0.16 0.90 -4.36 -0.30 -4.89 121.20 109.88 1i1r s ILE 96 Ca -0.04 -1.03 -0.02 0.00 -0.26 0.00 0.00 60.65 59.30 1i1r s ILE 96 Cb -0.01 -1.24 -0.02 0.00 1.25 0.00 0.00 42.46 42.44 1i1r s ILE 96 CO -0.03 -0.57 -0.07 -0.89 0.24 0.00 0.00 174.94 173.62 1i1r s THR 97 N -3.64 3.47 -0.27 8.37 2.01 -1.26 -0.82 115.64 123.51 1i1r s THR 97 Ca 0.03 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1i1r s THR 97 Cb 0.03 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1i1r s THR 97 CO -0.10 0.49 0.20 -0.63 -0.69 0.00 0.00 174.62 173.89 1i1r s ILE 98 N 0.58 5.31 0.00 1.82 1.01 0.23 -4.04 121.20 126.11 1i1r s ILE 98 Ca -0.05 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1i1r s ILE 98 Cb -0.15 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1i1r s ILE 98 CO 0.03 0.26 -0.10 -0.63 0.00 0.00 0.00 174.94 174.50 1i1r s ILE 99 N 1.66 3.38 0.12 2.92 1.01 -0.70 -0.75 121.20 128.84 1i1r s ILE 99 Ca 0.08 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1i1r s ILE 99 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1i1r s ILE 99 CO 0.10 0.41 -0.07 -0.94 0.00 0.00 0.00 174.94 174.44 1i1r s SER 100 N -1.32 1.33 0.00 3.58 1.04 -0.63 0.25 113.70 117.96 1i1r s SER 100 Ca 0.16 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1i1r s SER 100 Cb -0.11 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1i1r s SER 100 CO 0.06 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1i1r n GLY 101 N -0.11 -0.79 3.13 7.32 0.00 -0.62 -4.78 105.19 109.33 1i1r n GLY 101 Ca -0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1i1r n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1r s LEU 102 N 0.00 2.37 0.60 0.99 1.43 -0.26 -0.38 118.68 123.43 1i1r s LEU 102 Ca 0.00 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 1i1r s LEU 102 Cb 0.00 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.99 1i1r s LEU 102 CO 0.00 -0.29 1.05 -2.16 0.23 0.00 0.00 176.35 175.18 1i1r s PRO 103 N -2.59 3.31 0.41 1.29 0.04 -1.26 -4.75 135.00 131.45 1i1r s PRO 103 Ca 0.01 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 1i1r s PRO 103 Cb -0.03 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1i1r s PRO 103 CO -0.01 -0.81 1.21 -1.25 0.04 0.00 0.00 177.00 176.18 1i1r s PRO 104 N -4.22 3.96 0.52 0.56 0.04 -1.26 -4.93 135.00 129.67 1i1r s PRO 104 Ca 0.62 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 1i1r s PRO 104 Cb -0.15 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 1i1r s PRO 104 CO 0.39 -0.42 0.97 -2.00 0.04 0.00 0.00 177.00 175.98 1i1r s GLU 105 N -2.36 3.86 -0.14 4.56 2.12 -1.26 -4.88 118.70 120.61 1i1r s GLU 105 Ca 0.58 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 56.48 1i1r s GLU 105 Cb -0.32 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1i1r s GLU 105 CO 0.41 -0.30 1.66 0.21 -0.54 0.00 0.00 175.26 176.69 1i1r s LYS 106 N -4.26 3.95 0.25 4.30 2.20 -1.26 -4.67 119.74 120.25 1i1r s LYS 106 Ca 0.57 1.93 -0.31 0.00 -0.36 0.00 0.00 55.97 57.80 1i1r s LYS 106 Cb -0.10 -4.02 -0.14 0.00 -1.51 0.00 0.00 37.83 32.06 1i1r s LYS 106 CO 0.36 -1.12 1.34 -2.30 -0.36 0.00 0.00 175.35 173.27 1i1r n PRO 107 N 7.45 1.90 -4.35 4.03 -0.02 -1.26 -4.82 135.00 137.92 1i1r n PRO 107 Ca 0.19 0.67 -0.18 0.00 -2.02 0.00 0.00 63.50 62.16 1i1r n PRO 107 Cb 0.44 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1i1r n PRO 107 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1i1r s LYS 108 N -0.65 1.40 -1.32 -0.52 -2.85 -1.08 -4.39 119.74 110.33 1i1r s LYS 108 Ca 0.67 -1.73 -0.06 0.00 -1.00 0.00 0.00 55.97 53.85 1i1r s LYS 108 Cb -0.67 -0.65 0.01 0.00 -2.06 0.00 0.00 37.83 34.47 1i1r s LYS 108 CO 0.52 -0.12 1.09 0.09 0.10 0.00 0.00 175.35 177.02 1i1r n ASN 109 N -0.47 -4.64 -4.71 0.03 3.02 -1.26 -0.74 115.26 106.49 1i1r n ASN 109 Ca -0.04 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.49 1i1r n ASN 109 Cb 0.64 -4.91 -0.03 0.00 -0.61 0.00 0.00 39.78 34.88 1i1r n ASN 109 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1i1r s LEU 110 N -6.99 4.35 0.00 3.41 2.96 -1.26 -4.41 118.68 116.74 1i1r s LEU 110 Ca 0.39 2.24 -0.09 0.00 -0.22 0.00 0.00 54.13 56.45 1i1r s LEU 110 Cb -0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1i1r s LEU 110 CO 0.74 -0.67 0.17 -0.94 -1.32 0.00 0.00 176.35 174.33 1i1r s SER 111 N 1.40 -0.01 0.23 3.68 1.04 -0.10 -4.98 113.70 114.97 1i1r s SER 111 Ca 0.64 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.97 1i1r s SER 111 Cb -0.35 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 1i1r s SER 111 CO 0.29 -0.39 -0.11 0.00 0.98 0.00 0.00 173.24 174.01 1i1r s ILE 113 N -3.00 -0.00 -0.53 0.00 2.07 0.30 -4.91 121.20 115.13 1i1r s ILE 113 Ca 0.25 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.46 1i1r s ILE 113 Cb 0.01 -0.68 0.14 0.00 0.13 0.00 0.00 42.46 42.06 1i1r s ILE 113 CO 0.09 0.00 0.34 -0.69 -1.91 0.00 0.00 174.94 172.77 1i1r s VAL 114 N 0.28 3.64 -0.06 4.00 1.01 0.64 -1.39 120.40 128.51 1i1r s VAL 114 Ca -0.00 -2.47 -0.30 0.00 0.00 0.00 0.00 61.98 59.21 1i1r s VAL 114 Cb -0.03 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1i1r s VAL 114 CO 0.00 -0.80 1.26 0.20 0.00 0.00 0.00 175.10 175.77 1i1r s ASN 115 N 1.38 6.98 0.04 3.32 -0.87 -1.26 -1.59 114.94 122.94 1i1r s ASN 115 Ca 0.12 1.87 -0.38 0.00 -1.57 0.00 0.00 52.86 52.90 1i1r s ASN 115 Cb -0.22 -2.56 -0.18 0.00 -0.02 0.00 0.00 41.25 38.27 1i1r s ASN 115 CO -0.04 -0.65 1.19 1.21 -2.57 0.00 0.00 177.10 176.25 1i1r n GLU 116 N 5.49 0.55 0.00 -0.60 2.13 -0.74 -0.19 120.64 127.28 1i1r n GLU 116 Ca 0.12 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1i1r n GLU 116 Cb 0.45 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1i1r n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i1r n GLY 117 N 1.99 1.85 3.53 8.31 0.00 -1.26 -4.85 105.19 114.76 1i1r n GLY 117 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1i1r n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1r s LYS 118 N -0.43 1.80 0.60 1.61 1.02 0.74 -5.14 119.74 119.93 1i1r s LYS 118 Ca 0.00 -1.91 -0.07 0.00 0.02 0.00 0.00 55.97 54.01 1i1r s LYS 118 Cb 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1i1r s LYS 118 CO 0.00 0.17 0.92 0.15 -0.92 0.00 0.00 175.35 175.67 1i1r s LYS 119 N -3.59 2.97 0.31 1.68 1.02 -1.26 -4.48 119.74 116.38 1i1r s LYS 119 Ca 0.32 0.07 -0.29 0.00 0.02 0.00 0.00 55.97 56.10 1i1r s LYS 119 Cb 0.01 -2.25 -0.13 0.00 -0.52 0.00 0.00 37.83 34.94 1i1r s LYS 119 CO 0.16 -0.70 1.20 -0.12 -0.92 0.00 0.00 175.35 174.98 1i1r n MET 120 N -2.61 1.82 -4.52 1.68 0.00 -1.26 -4.62 117.12 107.62 1i1r n MET 120 Ca 0.04 0.64 -0.22 0.00 -0.00 0.00 0.00 57.70 58.16 1i1r n MET 120 Cb 0.57 -2.15 -0.16 0.00 0.00 0.00 0.00 33.22 31.48 1i1r n MET 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1i1r s ARG 121 N -1.55 1.29 0.07 2.12 3.52 -0.49 -1.56 118.95 122.36 1i1r s ARG 121 Ca 0.59 -0.38 0.09 0.00 -0.13 0.00 0.00 55.73 55.90 1i1r s ARG 121 Cb -0.63 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 1i1r s ARG 121 CO 0.60 0.11 -0.25 0.00 -0.81 0.00 0.00 175.30 174.95 1i1r s GLU 123 N -1.46 1.04 0.11 0.00 2.56 0.12 -1.60 118.70 119.47 1i1r s GLU 123 Ca 0.11 -1.11 -0.15 0.00 0.00 0.00 0.00 54.97 53.82 1i1r s GLU 123 Cb -0.10 -1.22 0.03 0.00 2.00 0.00 0.00 34.13 34.84 1i1r s GLU 123 CO 0.03 0.28 0.38 1.67 -0.56 0.00 0.00 175.26 177.06 1i1r s TRP 124 N -1.21 -0.17 -0.27 5.30 -2.14 -0.56 -0.92 118.94 118.96 1i1r s TRP 124 Ca 0.04 -0.11 -0.20 0.00 2.66 0.00 0.00 56.10 58.49 1i1r s TRP 124 Cb -0.10 0.22 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 1i1r s TRP 124 CO 0.04 -0.66 0.63 -0.51 -2.66 0.00 0.00 176.95 173.79 1i1r s ASP 125 N -2.68 6.55 0.46 -2.66 1.01 0.08 -4.72 116.67 114.71 1i1r s ASP 125 Ca 0.02 0.61 -0.18 0.00 0.71 0.00 0.00 52.55 53.71 1i1r s ASP 125 Cb 0.02 -2.34 -0.09 0.00 1.01 0.00 0.00 42.92 41.52 1i1r s ASP 125 CO -0.10 -0.41 0.94 -0.83 0.21 0.00 0.00 175.17 174.97 1i1r s GLY 126 N 1.53 2.21 0.00 0.21 0.00 -1.26 -2.65 107.32 107.37 1i1r s GLY 126 Ca 0.26 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1i1r s GLY 126 CO 0.10 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.31 1i1r n GLY 127 N -1.07 1.59 3.62 0.20 0.00 -1.26 -4.98 105.19 103.29 1i1r n GLY 127 Ca 0.06 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1i1r n GLY 127 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i1r n ARG 128 N 0.00 1.38 -1.76 1.61 -4.01 -1.26 -4.91 116.66 107.71 1i1r n ARG 128 Ca 0.00 0.50 -0.41 0.00 -1.04 0.00 0.00 57.85 56.89 1i1r n ARG 128 Cb 0.00 -2.09 -0.01 0.00 -3.04 0.00 0.00 32.46 27.32 1i1r n ARG 128 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1i1r n GLU 129 N 0.04 2.70 -0.00 2.89 4.07 -1.26 -4.75 120.64 124.34 1i1r n GLU 129 Ca 0.09 0.95 0.06 0.00 -0.06 0.00 0.00 57.16 58.21 1i1r n GLU 129 Cb 0.40 -2.72 -0.08 0.00 -0.06 0.00 0.00 31.44 28.98 1i1r n GLU 129 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1i1r n THR 130 N 1.34 0.00 -0.88 6.31 -2.24 -1.26 -4.83 114.28 112.72 1i1r n THR 130 Ca 0.05 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1i1r n THR 130 Cb 0.38 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1i1r n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1i1r n HIS 131 N -1.60 0.00 -4.41 4.78 -0.00 -1.26 -1.11 115.22 111.62 1i1r n HIS 131 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1i1r n HIS 131 Cb 0.26 -1.21 -0.11 0.00 -0.00 0.00 0.00 29.99 28.93 1i1r n HIS 131 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1i1r s LEU 132 N 0.00 2.56 -0.21 2.41 1.43 -1.26 -4.88 118.68 118.73 1i1r s LEU 132 Ca 0.00 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 51.96 1i1r s LEU 132 Cb 0.00 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1i1r s LEU 132 CO 0.00 0.10 1.82 -0.70 0.23 0.00 0.00 176.35 177.80 1i1r s GLU 133 N -2.89 3.62 -0.13 1.70 2.12 -1.26 -4.95 118.70 116.91 1i1r s GLU 133 Ca 0.23 1.82 0.01 0.00 0.36 0.00 0.00 54.97 57.39 1i1r s GLU 133 Cb -0.07 -4.15 -0.01 0.00 0.26 0.00 0.00 34.13 30.16 1i1r s GLU 133 CO 0.12 -1.52 -0.15 0.99 -0.54 0.00 0.00 175.26 174.16 1i1r s THR 134 N 6.04 2.80 0.03 -1.70 2.01 -1.26 -4.52 115.64 119.03 1i1r s THR 134 Ca 0.81 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 1i1r s THR 134 Cb -0.28 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 1i1r s THR 134 CO 0.33 0.52 0.40 0.20 -0.69 0.00 0.00 174.62 175.39 1i1r s ASN 135 N 0.50 6.74 -0.10 3.53 0.01 0.60 -4.92 114.94 121.31 1i1r s ASN 135 Ca -0.10 0.89 0.03 0.00 -0.71 0.00 0.00 52.86 52.97 1i1r s ASN 135 Cb -0.16 -2.22 0.01 0.00 0.41 0.00 0.00 41.25 39.29 1i1r s ASN 135 CO 0.04 0.26 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.36 1i1r s PHE 136 N -1.21 2.07 -0.10 2.20 0.08 -1.26 -1.10 117.98 118.66 1i1r s PHE 136 Ca 0.27 -0.89 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 1i1r s PHE 136 Cb -0.15 -1.45 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1i1r s PHE 136 CO 0.15 -0.42 -0.07 0.99 -0.10 0.00 0.00 175.22 175.77 1i1r s THR 137 N 0.69 0.94 -0.16 0.64 2.01 0.13 -1.04 115.64 118.85 1i1r s THR 137 Ca -0.13 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 1i1r s THR 137 Cb -0.16 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1i1r s THR 137 CO 0.03 0.35 0.81 -0.22 -0.69 0.00 0.00 174.62 174.90 1i1r s LEU 138 N 1.56 4.19 -0.06 4.42 2.96 0.23 -0.31 118.68 131.67 1i1r s LEU 138 Ca 0.02 1.17 -0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1i1r s LEU 138 Cb -0.13 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1i1r s LEU 138 CO -0.06 -0.36 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.06 1i1r s LYS 139 N 1.99 2.88 -0.15 1.98 -0.14 0.11 -1.72 119.74 124.69 1i1r s LYS 139 Ca 0.38 -0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.37 1i1r s LYS 139 Cb -0.17 -2.72 0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1i1r s LYS 139 CO 0.13 0.67 0.39 -1.54 -0.76 0.00 0.00 175.35 174.25 1i1r s SER 140 N -1.08 -0.43 -0.10 2.83 1.04 -1.26 -1.53 113.70 113.18 1i1r s SER 140 Ca 0.15 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 57.11 1i1r s SER 140 Cb -0.11 0.78 0.07 0.00 0.10 0.00 0.00 66.02 66.86 1i1r s SER 140 CO 0.05 -0.15 0.65 -1.83 0.98 0.00 0.00 173.24 172.93 1i1r s GLU 141 N 0.53 0.96 0.60 4.02 -1.05 -0.24 -1.50 118.70 122.02 1i1r s GLU 141 Ca -0.03 0.39 -0.04 0.00 -0.15 0.00 0.00 54.97 55.14 1i1r s GLU 141 Cb -0.04 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 1i1r s GLU 141 CO -0.03 -0.26 0.88 -1.58 0.95 0.00 0.00 175.26 175.22 1i1r s TRP 142 N -0.83 3.03 0.44 4.83 0.51 0.42 -0.75 118.94 126.60 1i1r s TRP 142 Ca -0.09 0.36 0.39 0.00 -2.12 0.00 0.00 56.10 54.65 1i1r s TRP 142 Cb -0.02 -2.86 2.10 0.00 -0.81 0.00 0.00 33.47 31.88 1i1r s TRP 142 CO 0.07 -0.99 2.20 0.00 -0.51 0.00 0.00 176.95 177.73 1i1r h ALA 143 N -0.20 1.00 0.00 0.98 0.00 -2.00 -2.85 119.26 116.19 1i1r h ALA 143 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1i1r h ALA 143 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1i1r h ALA 143 CO 0.58 0.00 -0.04 0.25 0.00 0.00 0.00 179.25 180.04 1i1r n THR 144 N -2.92 1.38 -3.64 0.00 -2.24 -1.26 -5.04 114.28 100.56 1i1r n THR 144 Ca -0.02 -1.60 -0.04 0.00 -2.27 0.00 0.00 64.05 60.12 1i1r n THR 144 Cb 0.09 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 1i1r n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1i1r s HIS 145 N -1.94 -0.42 -0.18 4.78 5.65 -1.08 -5.15 115.29 116.96 1i1r s HIS 145 Ca 0.18 0.90 -0.09 0.00 0.25 0.00 0.00 55.06 56.30 1i1r s HIS 145 Cb 0.16 0.33 -0.05 0.00 -1.18 0.00 0.00 32.58 31.84 1i1r s HIS 145 CO 0.02 -0.20 0.11 0.15 -0.65 0.00 0.00 174.74 174.16 1i1r s LYS 146 N 0.83 3.98 0.49 2.88 1.02 -1.26 -0.44 119.74 127.24 1i1r s LYS 146 Ca -0.03 -0.24 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 1i1r s LYS 146 Cb -0.04 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1i1r s LYS 146 CO -0.12 0.38 0.75 -0.06 -0.92 0.00 0.00 175.35 175.38 1i1r s PHE 147 N 0.11 3.31 0.26 3.18 0.08 -0.57 -5.01 117.98 119.34 1i1r s PHE 147 Ca 0.08 0.46 -0.31 0.00 0.12 0.00 0.00 56.93 57.29 1i1r s PHE 147 Cb -0.11 -2.41 -0.13 0.00 -0.57 0.00 0.00 43.02 39.79 1i1r s PHE 147 CO -0.00 -0.46 1.42 0.00 -0.10 0.00 0.00 175.22 176.08 1i1r n ALA 148 N -2.24 1.35 -1.76 5.36 0.00 -1.26 -4.65 120.51 117.30 1i1r n ALA 148 Ca 0.02 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 1i1r n ALA 148 Cb 0.57 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.73 1i1r n ALA 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i1r s ASP 149 N 0.24 5.83 -0.27 0.00 1.01 -1.26 -4.76 116.67 117.45 1i1r s ASP 149 Ca 0.66 2.47 -0.05 0.00 0.71 0.00 0.00 52.55 56.34 1i1r s ASP 149 Cb -0.61 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 40.71 1i1r s ASP 149 CO 0.51 -1.16 0.03 0.00 0.21 0.00 0.00 175.17 174.76 1i1r s LYS 151 N 1.45 4.07 0.73 0.00 2.20 -1.26 -0.60 119.74 126.32 1i1r s LYS 151 Ca 0.02 0.14 -0.16 0.00 -0.36 0.00 0.00 55.97 55.62 1i1r s LYS 151 Cb -0.17 -3.62 0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1i1r s LYS 151 CO -0.00 -0.23 1.21 0.00 -0.36 0.00 0.00 175.35 175.96 1i1r n ALA 152 N 5.16 0.45 -2.09 3.13 0.00 -0.21 -4.98 120.51 121.97 1i1r n ALA 152 Ca -0.07 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 1i1r n ALA 152 Cb 0.51 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 1i1r n ALA 152 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i1r s LYS 153 N -3.67 4.10 0.24 0.00 3.01 -1.21 -4.79 119.74 117.41 1i1r s LYS 153 Ca 0.77 0.78 -0.05 0.00 -1.01 0.00 0.00 55.97 56.46 1i1r s LYS 153 Cb -0.34 -2.51 0.43 0.00 -1.01 0.00 0.00 37.83 34.40 1i1r s LYS 153 CO 0.46 0.19 1.71 0.00 0.51 0.00 0.00 175.35 178.22 1i1r h ARG 154 N 2.50 0.33 -0.21 1.68 3.08 -1.97 -1.79 114.38 118.00 1i1r h ARG 154 Ca -0.48 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1i1r h ARG 154 Cb 1.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1i1r h ARG 154 CO 0.65 0.22 0.07 -0.44 -1.07 0.00 0.00 179.97 179.40 1i1r h ASP 155 N 0.34 0.30 -3.12 7.04 3.45 -2.02 -3.34 116.42 119.07 1i1r h ASP 155 Ca 0.40 -0.20 -0.69 0.00 0.43 0.00 0.00 57.03 56.97 1i1r h ASP 155 Cb 0.64 -0.08 -0.36 0.00 -0.56 0.00 0.00 39.33 38.96 1i1r h ASP 155 CO -0.45 0.42 -0.12 0.35 -1.57 0.00 0.00 179.24 177.87 1i1r n THR 156 N -4.79 3.02 0.60 0.35 -2.24 -0.71 -4.90 114.28 105.61 1i1r n THR 156 Ca -0.04 -5.18 0.12 0.00 -2.27 0.00 0.00 64.05 56.68 1i1r n THR 156 Cb 0.15 -2.30 0.46 0.00 -2.10 0.00 0.00 70.33 66.53 1i1r n THR 156 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1i1r n PRO 157 N 1.99 0.15 -0.35 -0.78 -0.04 -0.99 -3.32 135.00 131.66 1i1r n PRO 157 Ca 0.23 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 64.04 1i1r n PRO 157 Cb 0.37 -1.73 0.29 0.00 -0.04 0.00 0.00 33.50 32.39 1i1r n PRO 157 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i1r n THR 158 N -2.00 1.07 -3.80 0.52 -2.24 -1.26 -4.83 114.28 101.73 1i1r n THR 158 Ca 0.04 -1.02 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 1i1r n THR 158 Cb 0.31 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 68.92 1i1r n THR 158 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i1r s SER 159 N -1.00 -0.10 0.01 3.42 0.15 -1.22 -1.50 113.70 113.45 1i1r s SER 159 Ca 0.44 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.98 1i1r s SER 159 Cb 0.23 0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1i1r s SER 159 CO 0.29 -0.43 0.11 0.00 1.20 0.00 0.00 173.24 174.41 1i1r s THR 161 N -1.39 1.29 0.98 0.00 2.01 -1.26 -1.08 115.64 116.19 1i1r s THR 161 Ca -0.15 -1.02 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 1i1r s THR 161 Cb -0.08 -1.59 0.12 0.00 0.01 0.00 0.00 72.50 70.96 1i1r s THR 161 CO 0.01 -0.08 0.73 1.33 -0.69 0.00 0.00 174.62 175.92 1i1r n VAL 162 N 4.77 0.00 0.65 3.82 0.24 -0.60 -4.94 118.33 122.27 1i1r n VAL 162 Ca -0.12 -0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.14 1i1r n VAL 162 Cb 0.45 -0.81 0.14 0.00 -1.47 0.00 0.00 33.84 32.15 1i1r n VAL 162 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i1r n ASP 163 N -2.93 3.08 -4.63 -1.34 5.75 -1.26 -4.71 116.55 110.51 1i1r n ASP 163 Ca 0.08 -1.95 -0.32 0.00 -0.01 0.00 0.00 54.79 52.59 1i1r n ASP 163 Cb 0.54 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 1i1r n ASP 163 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1i1r s TYR 164 N -1.67 2.95 0.47 2.11 1.13 -1.26 -5.10 117.35 115.97 1i1r s TYR 164 Ca 0.31 -0.01 -0.22 0.00 -1.41 0.00 0.00 57.07 55.74 1i1r s TYR 164 Cb 0.20 -1.61 -0.08 0.00 -1.10 0.00 0.00 41.96 39.37 1i1r s TYR 164 CO 0.29 0.42 1.11 -1.12 -2.51 0.00 0.00 175.55 173.74 1i1r s SER 165 N -1.62 6.23 0.31 -0.18 0.01 -1.26 -4.50 113.70 112.68 1i1r s SER 165 Ca 0.19 2.16 -0.29 0.00 1.31 0.00 0.00 55.95 59.32 1i1r s SER 165 Cb -0.11 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 1i1r s SER 165 CO 0.10 -0.87 1.40 -0.89 0.41 0.00 0.00 173.24 173.40 1i1r s THR 166 N -1.69 2.54 -0.31 1.44 2.01 -1.26 -5.00 115.64 113.38 1i1r s THR 166 Ca 0.65 0.51 0.03 0.00 0.31 0.00 0.00 61.69 63.18 1i1r s THR 166 Cb -0.24 -3.32 0.09 0.00 0.01 0.00 0.00 72.50 69.03 1i1r s THR 166 CO 0.29 0.11 0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 1i1r s VAL 167 N -0.68 2.01 0.71 3.82 1.01 -1.26 -5.11 120.40 120.90 1i1r s VAL 167 Ca 0.54 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 1i1r s VAL 167 Cb -0.42 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1i1r s VAL 167 CO 0.51 -0.42 1.08 -0.31 0.00 0.00 0.00 175.10 175.95 1i1r s TYR 168 N 1.08 2.84 -0.40 5.22 2.02 -1.26 -3.94 117.35 122.91 1i1r s TYR 168 Ca 0.04 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.24 1i1r s TYR 168 Cb -0.19 -2.99 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1i1r s TYR 168 CO -0.09 -1.49 0.00 1.19 -1.57 0.00 0.00 175.55 173.59 1i1r n PHE 169 N -3.08 0.00 -4.28 2.71 3.72 -1.26 -4.99 117.46 110.27 1i1r n PHE 169 Ca 0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.25 1i1r n PHE 169 Cb 0.53 -1.16 -0.17 0.00 -0.94 0.00 0.00 39.48 37.75 1i1r n PHE 169 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1i1r s VAL 170 N -1.96 0.89 0.23 -4.37 1.01 -1.25 -5.10 120.40 109.85 1i1r s VAL 170 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1i1r s VAL 170 Cb 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 1i1r s VAL 170 CO 0.00 0.31 1.29 0.20 0.00 0.00 0.00 175.10 176.90 1i1r s ASN 171 N 1.00 6.90 -0.03 3.32 -0.87 -1.26 -4.32 114.94 119.69 1i1r s ASN 171 Ca -0.09 2.45 0.05 0.00 -1.57 0.00 0.00 52.86 53.70 1i1r s ASN 171 Cb -0.15 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.46 1i1r s ASN 171 CO -0.00 -0.50 -0.19 -0.51 -2.57 0.00 0.00 177.10 173.33 1i1r s ILE 172 N -0.24 1.56 -0.24 0.60 2.07 -0.05 -4.60 121.20 120.30 1i1r s ILE 172 Ca 0.54 -0.82 -0.13 0.00 -1.41 0.00 0.00 60.65 58.83 1i1r s ILE 172 Cb -0.37 -1.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.86 1i1r s ILE 172 CO 0.41 0.44 0.29 -0.70 -1.91 0.00 0.00 174.94 173.48 1i1r s GLU 173 N -0.22 4.07 0.05 3.50 2.56 0.07 -1.86 118.70 126.87 1i1r s GLU 173 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.97 54.98 1i1r s GLU 173 Cb -0.10 -3.59 -0.02 0.00 2.00 0.00 0.00 34.13 32.42 1i1r s GLU 173 CO 0.01 -0.09 -0.15 0.08 -0.56 0.00 0.00 175.26 174.55 1i1r s VAL 174 N 1.50 1.17 0.10 3.70 1.01 0.40 -1.08 120.40 127.20 1i1r s VAL 174 Ca 0.13 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1i1r s VAL 174 Cb -0.15 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.24 1i1r s VAL 174 CO 0.08 -0.02 0.76 -1.66 0.00 0.00 0.00 175.10 174.27 1i1r s TRP 175 N -0.92 -0.39 -0.03 5.22 -2.14 -0.58 -0.18 118.94 119.92 1i1r s TRP 175 Ca 0.02 0.19 0.04 0.00 2.66 0.00 0.00 56.10 59.01 1i1r s TRP 175 Cb -0.08 0.57 -0.03 0.00 -3.10 0.00 0.00 33.47 30.83 1i1r s TRP 175 CO 0.02 -0.75 -0.15 0.08 -2.66 0.00 0.00 176.95 173.49 1i1r s VAL 176 N -3.45 3.02 -0.23 -0.66 1.01 -1.26 0.09 120.40 118.91 1i1r s VAL 176 Ca 0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1i1r s VAL 176 Cb -0.01 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1i1r s VAL 176 CO -0.08 0.55 -0.06 -0.70 0.00 0.00 0.00 175.10 174.80 1i1r s GLU 177 N -0.86 3.07 -0.18 2.72 2.12 0.57 -0.69 118.70 125.45 1i1r s GLU 177 Ca 0.12 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 1i1r s GLU 177 Cb -0.11 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1i1r s GLU 177 CO 0.01 -0.31 0.04 0.00 -0.54 0.00 0.00 175.26 174.47 1i1r s ALA 178 N 1.39 3.30 -0.11 6.30 0.00 0.11 -0.69 121.76 132.06 1i1r s ALA 178 Ca 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1i1r s ALA 178 Cb -0.15 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.16 1i1r s ALA 178 CO -0.05 0.17 0.29 -2.00 0.00 0.00 0.00 175.76 174.18 1i1r s GLU 179 N 0.39 0.33 0.20 0.00 2.12 -0.26 -0.33 118.70 121.16 1i1r s GLU 179 Ca 0.01 0.42 -0.09 0.00 0.36 0.00 0.00 54.97 55.67 1i1r s GLU 179 Cb -0.13 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 1i1r s GLU 179 CO 0.01 -0.05 0.33 0.54 -0.54 0.00 0.00 175.26 175.55 1i1r s ASN 180 N 0.23 0.01 0.58 -1.70 2.20 -0.05 -0.29 114.94 115.92 1i1r s ASN 180 Ca -0.01 -0.99 0.40 0.00 -0.94 0.00 0.00 52.86 51.32 1i1r s ASN 180 Cb -0.03 0.48 1.40 0.00 -2.00 0.00 0.00 41.25 41.11 1i1r s ASN 180 CO -0.00 -0.98 1.49 0.00 -2.94 0.00 0.00 177.10 174.66 1i1r h ALA 181 N 2.45 3.44 -0.02 3.54 0.00 -1.95 0.35 119.26 127.08 1i1r h ALA 181 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1i1r h ALA 181 Cb 1.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1i1r h ALA 181 CO 0.44 -2.08 -0.33 1.28 0.00 0.00 0.00 179.25 178.56 1i1r n LEU 182 N -3.67 1.94 0.00 0.00 4.77 -1.26 -5.01 117.00 113.78 1i1r n LEU 182 Ca 0.34 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1i1r n LEU 182 Cb 1.76 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.82 1i1r n LEU 182 CO 0.36 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1i1r n GLY 183 N 1.38 1.56 3.14 -0.72 0.00 0.12 -4.71 105.19 105.96 1i1r n GLY 183 Ca 0.11 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1i1r n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i1r s LYS 184 N -2.00 1.60 0.03 1.61 2.20 -1.26 -0.87 119.74 121.06 1i1r s LYS 184 Ca 0.00 -0.61 -0.19 0.00 -0.36 0.00 0.00 55.97 54.82 1i1r s LYS 184 Cb 0.00 -1.46 0.04 0.00 -1.51 0.00 0.00 37.83 34.90 1i1r s LYS 184 CO 0.00 0.29 0.42 0.54 -0.36 0.00 0.00 175.35 176.25 1i1r s VAL 185 N -0.14 0.05 0.05 4.02 0.11 0.55 -5.00 120.40 120.04 1i1r s VAL 185 Ca 0.01 -0.42 0.09 0.00 -2.93 0.00 0.00 61.98 58.72 1i1r s VAL 185 Cb -0.09 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1i1r s VAL 185 CO 0.01 -0.23 -0.24 0.42 -3.33 0.00 0.00 175.10 171.73 1i1r s THR 186 N -2.28 2.38 0.97 5.04 -4.23 -1.26 0.05 115.64 116.31 1i1r s THR 186 Ca -0.06 -1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 1i1r s THR 186 Cb -0.01 -1.96 0.18 0.00 1.34 0.00 0.00 72.50 72.05 1i1r s THR 186 CO -0.01 0.34 1.20 -0.94 -0.54 0.00 0.00 174.62 174.67 1i1r s SER 187 N -1.37 3.00 0.62 3.99 1.04 0.14 -4.75 113.70 116.37 1i1r s SER 187 Ca 0.13 0.65 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 1i1r s SER 187 Cb -0.10 -0.97 -0.02 0.00 0.10 0.00 0.00 66.02 65.03 1i1r s SER 187 CO 0.03 -2.84 1.13 -1.81 0.98 0.00 0.00 173.24 170.73 1i1r s ASP 188 N -4.36 5.25 0.20 7.02 1.01 -1.26 -4.67 116.67 119.86 1i1r s ASP 188 Ca 0.68 2.09 -0.25 0.00 0.71 0.00 0.00 52.55 55.79 1i1r s ASP 188 Cb -0.10 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.19 1i1r s ASP 188 CO 0.53 -1.54 0.80 -1.00 0.21 0.00 0.00 175.17 174.18 1i1r s HIS 189 N -2.11 3.86 0.22 4.23 3.76 -1.26 -4.67 115.29 119.31 1i1r s HIS 189 Ca 0.70 1.64 0.10 0.00 -0.15 0.00 0.00 55.06 57.35 1i1r s HIS 189 Cb -0.22 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 1i1r s HIS 189 CO 0.37 0.46 -0.13 0.96 -0.85 0.00 0.00 174.74 175.54 1i1r s ILE 190 N -1.25 2.92 -0.02 0.60 -4.36 0.75 -4.96 121.20 114.88 1i1r s ILE 190 Ca 0.39 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1i1r s ILE 190 Cb -0.22 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1i1r s ILE 190 CO 0.26 -0.21 -0.00 0.21 0.24 0.00 0.00 174.94 175.43 1i1r s ASN 191 N -3.07 0.36 0.11 4.36 3.84 -1.26 -0.45 114.94 118.82 1i1r s ASN 191 Ca 0.26 -0.02 -0.25 0.00 0.21 0.00 0.00 52.86 53.05 1i1r s ASN 191 Cb -0.07 -0.17 0.07 0.00 -0.55 0.00 0.00 41.25 40.52 1i1r s ASN 191 CO 0.15 -0.08 0.82 0.72 -2.79 0.00 0.00 177.10 175.92 1i1r s PHE 192 N 0.83 -0.31 -0.30 0.43 -0.12 -0.78 -4.96 117.98 112.77 1i1r s PHE 192 Ca -0.08 0.07 -0.15 0.00 -0.05 0.00 0.00 56.93 56.72 1i1r s PHE 192 Cb -0.11 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1i1r s PHE 192 CO -0.02 -0.78 0.38 0.34 -0.05 0.00 0.00 175.22 175.09 1i1r s ASP 193 N -2.73 6.23 0.59 1.98 -1.08 -1.26 -0.87 116.67 119.53 1i1r s ASP 193 Ca 0.07 0.07 0.30 0.00 -0.52 0.00 0.00 52.55 52.47 1i1r s ASP 193 Cb -0.02 -2.21 1.32 0.00 -1.46 0.00 0.00 42.92 40.56 1i1r s ASP 193 CO -0.05 -0.27 1.67 -0.65 0.52 0.00 0.00 175.17 176.40 1i1r h PRO 194 N 8.31 0.00 -0.01 4.34 0.11 -1.84 0.81 132.00 143.72 1i1r h PRO 194 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1i1r h PRO 194 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1i1r h PRO 194 CO 0.67 0.00 0.03 -0.24 -0.21 0.00 0.00 178.00 178.25 1i1r h VAL 195 N 0.00 0.23 -0.58 3.15 3.04 -1.92 0.24 116.25 120.42 1i1r h VAL 195 Ca 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1i1r h VAL 195 Cb 2.04 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1i1r h VAL 195 CO -0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1i1r n TYR 196 N -3.41 0.97 -1.79 3.17 4.01 0.28 -4.11 117.16 116.29 1i1r n TYR 196 Ca -0.03 -0.44 0.05 0.00 -0.16 0.00 0.00 57.90 57.33 1i1r n TYR 196 Cb 0.10 -0.08 0.11 0.00 -0.31 0.00 0.00 39.34 39.16 1i1r n TYR 196 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1i1r n LYS 197 N 1.13 0.86 -3.01 -0.72 4.76 0.07 -2.56 118.16 118.68 1i1r n LYS 197 Ca 0.21 -2.45 -0.38 0.00 -2.87 0.00 0.00 58.31 52.82 1i1r n LYS 197 Cb 0.60 -0.99 -0.06 0.00 -1.84 0.00 0.00 35.03 32.74 1i1r n LYS 197 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1i1r s VAL 198 N -1.80 4.44 -0.51 -0.18 1.01 -1.24 -0.26 120.40 121.86 1i1r s VAL 198 Ca 0.30 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.84 1i1r s VAL 198 Cb 0.30 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.81 1i1r s VAL 198 CO -0.06 0.35 0.27 -0.75 0.00 0.00 0.00 175.10 174.90 1i1r s LYS 199 N -1.60 1.79 0.94 2.72 2.36 -0.62 -0.41 119.74 124.91 1i1r s LYS 199 Ca 0.40 -2.48 -0.10 0.00 -2.55 0.00 0.00 55.97 51.23 1i1r s LYS 199 Cb -0.20 -3.01 0.16 0.00 -1.05 0.00 0.00 37.83 33.73 1i1r s LYS 199 CO 0.24 -1.14 1.12 -2.14 1.55 0.00 0.00 175.35 174.98 1i1r s PRO 200 N -0.18 0.86 0.72 4.03 0.02 -1.26 -1.80 135.00 137.40 1i1r s PRO 200 Ca 0.18 1.41 -0.11 0.00 0.02 0.00 0.00 61.00 62.50 1i1r s PRO 200 Cb -0.24 -1.72 0.02 0.00 0.02 0.00 0.00 34.50 32.59 1i1r s PRO 200 CO -0.01 -2.69 1.07 -0.80 -0.33 0.00 0.00 177.00 174.24 1i1r s ASN 201 N -2.73 5.20 0.54 2.53 0.02 -1.26 -4.29 114.94 114.95 1i1r s ASN 201 Ca 0.66 1.45 -0.15 0.00 -1.02 0.00 0.00 52.86 53.81 1i1r s ASN 201 Cb -0.22 -2.30 -0.07 0.00 0.02 0.00 0.00 41.25 38.68 1i1r s ASN 201 CO 0.59 -1.54 1.00 -2.16 0.02 0.00 0.00 177.10 175.00 1i1r s PRO 202 N -5.12 3.85 0.49 -0.60 0.04 -1.26 -4.69 135.00 127.71 1i1r s PRO 202 Ca 0.59 0.89 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 1i1r s PRO 202 Cb -0.14 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1i1r s PRO 202 CO 0.54 -0.35 1.14 -2.30 0.04 0.00 0.00 177.00 176.08 1i1r n PRO 203 N -1.89 1.48 -4.51 0.56 -0.02 -1.26 -4.70 135.00 124.66 1i1r n PRO 203 Ca 0.06 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.83 1i1r n PRO 203 Cb 0.54 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1i1r n PRO 203 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1i1r s HIS 204 N -1.31 1.81 -1.12 6.00 -3.43 -0.42 -4.47 115.29 112.34 1i1r s HIS 204 Ca 0.67 -1.22 -0.05 0.00 -0.80 0.00 0.00 55.06 53.66 1i1r s HIS 204 Cb -0.48 -1.19 0.01 0.00 -1.43 0.00 0.00 32.58 29.49 1i1r s HIS 204 CO 0.53 -0.23 0.69 0.09 -2.00 0.00 0.00 174.74 173.82 1i1r n ASN 205 N -1.20 -5.24 -4.71 7.38 5.03 -1.26 -0.12 115.26 115.15 1i1r n ASN 205 Ca -0.06 -0.32 -0.42 0.00 0.87 0.00 0.00 54.58 54.66 1i1r n ASN 205 Cb 0.65 -3.96 -0.03 0.00 -1.02 0.00 0.00 39.78 35.42 1i1r n ASN 205 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1i1r s LEU 206 N -5.54 4.36 -0.01 3.41 2.96 -1.26 -4.15 118.68 118.45 1i1r s LEU 206 Ca 0.34 2.18 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 1i1r s LEU 206 Cb -0.15 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1i1r s LEU 206 CO 0.42 -0.60 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.33 1i1r s SER 207 N 1.21 1.01 -0.21 3.68 0.01 0.92 -4.84 113.70 115.48 1i1r s SER 207 Ca 0.62 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.68 1i1r s SER 207 Cb -0.33 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 1i1r s SER 207 CO 0.29 0.11 -0.00 -0.69 0.41 0.00 0.00 173.24 173.36 1i1r s VAL 208 N -0.20 3.84 -0.03 3.43 1.01 -1.26 -0.73 120.40 126.46 1i1r s VAL 208 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1i1r s VAL 208 Cb -0.03 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1i1r s VAL 208 CO -0.00 0.41 -0.12 -0.63 0.00 0.00 0.00 175.10 174.76 1i1r s ILE 209 N 1.21 1.02 -0.86 2.22 -1.09 0.60 -4.81 121.20 119.49 1i1r s ILE 209 Ca 0.03 -0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 57.71 1i1r s ILE 209 Cb -0.15 -0.89 0.03 0.00 -1.58 0.00 0.00 42.46 39.88 1i1r s ILE 209 CO 0.01 0.31 1.40 0.20 -1.23 0.00 0.00 174.94 175.62 1i1r s ASN 210 N 0.12 6.23 -0.06 3.58 -0.87 -1.26 -0.26 114.94 122.42 1i1r s ASN 210 Ca -0.03 -0.84 -0.01 0.00 -1.57 0.00 0.00 52.86 50.41 1i1r s ASN 210 Cb -0.09 -2.56 -0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1i1r s ASN 210 CO 0.01 -1.76 -0.02 0.77 -2.57 0.00 0.00 177.10 173.53 1i1r h SER 211 N 10.19 0.00 -4.25 -1.22 4.64 -1.91 -3.47 113.55 117.53 1i1r h SER 211 Ca -0.07 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.75 1i1r h SER 211 Cb 1.04 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.22 1i1r h SER 211 CO 1.34 0.32 0.36 -1.61 -0.87 0.00 0.00 176.83 176.37 1i1r s GLU 212 N -1.40 2.87 -0.23 4.77 2.02 -1.26 -4.93 118.70 120.54 1i1r s GLU 212 Ca -0.02 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1i1r s GLU 212 Cb 0.00 -1.97 0.23 0.00 0.10 0.00 0.00 34.13 32.49 1i1r s GLU 212 CO 0.02 -1.17 1.72 -1.91 0.02 0.00 0.00 175.26 173.94 1i1r n GLU 213 N -2.69 1.60 -3.99 1.61 4.07 -1.26 -4.86 120.64 115.12 1i1r n GLU 213 Ca 0.09 -1.29 -0.25 0.00 -0.06 0.00 0.00 57.16 55.65 1i1r n GLU 213 Cb 0.53 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.36 1i1r n GLU 213 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1i1r s LEU 214 N -1.46 2.96 0.00 4.31 1.43 -1.26 -5.05 118.68 119.61 1i1r s LEU 214 Ca 0.25 -1.12 0.17 0.00 -1.03 0.00 0.00 54.13 52.40 1i1r s LEU 214 Cb 0.20 -1.41 0.12 0.00 0.03 0.00 0.00 46.19 45.13 1i1r s LEU 214 CO 0.02 -0.78 1.03 -1.54 0.23 0.00 0.00 176.35 175.31 1i1r n SER 215 N -1.48 2.37 -0.75 2.29 3.41 -1.26 -4.38 113.62 113.82 1i1r n SER 215 Ca -0.02 -1.68 0.07 0.00 -0.26 0.00 0.00 58.87 56.98 1i1r n SER 215 Cb 0.64 0.06 0.22 0.00 -0.26 0.00 0.00 64.21 64.87 1i1r n SER 215 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i1r n SER 216 N 0.86 3.30 -3.94 4.04 3.41 -1.25 -3.70 113.62 116.34 1i1r n SER 216 Ca 0.10 -3.17 -0.18 0.00 -0.26 0.00 0.00 58.87 55.35 1i1r n SER 216 Cb 0.43 -0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 1i1r n SER 216 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1i1r s ILE 217 N -2.92 0.53 -0.03 -1.33 1.09 -1.26 -1.39 121.20 115.89 1i1r s ILE 217 Ca 0.40 -0.20 0.02 0.00 -1.10 0.00 0.00 60.65 59.77 1i1r s ILE 217 Cb 0.34 -0.50 0.01 0.00 -1.06 0.00 0.00 42.46 41.25 1i1r s ILE 217 CO 0.06 0.19 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.26 1i1r s LEU 218 N 0.38 1.69 -0.20 2.97 1.43 -0.85 -4.66 118.68 119.43 1i1r s LEU 218 Ca -0.05 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1i1r s LEU 218 Cb -0.09 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1i1r s LEU 218 CO -0.00 0.03 0.06 -0.75 0.23 0.00 0.00 176.35 175.92 1i1r s LYS 219 N 0.35 3.86 -0.14 1.70 2.20 0.65 -0.37 119.74 127.98 1i1r s LYS 219 Ca -0.05 -0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 1i1r s LYS 219 Cb -0.09 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1i1r s LYS 219 CO 0.00 0.11 0.24 -0.51 -0.36 0.00 0.00 175.35 174.83 1i1r s LEU 220 N 0.80 4.29 0.08 5.43 1.43 0.21 -0.29 118.68 130.64 1i1r s LEU 220 Ca 0.03 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1i1r s LEU 220 Cb -0.14 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1i1r s LEU 220 CO 0.02 0.21 -0.11 0.42 0.23 0.00 0.00 176.35 177.12 1i1r s THR 221 N -0.05 0.93 0.16 5.49 -4.23 0.09 -0.89 115.64 117.16 1i1r s THR 221 Ca 0.15 -1.41 -0.25 0.00 -1.18 0.00 0.00 61.69 59.01 1i1r s THR 221 Cb -0.13 -1.10 0.06 0.00 1.34 0.00 0.00 72.50 72.67 1i1r s THR 221 CO 0.04 -0.40 0.92 -1.66 -0.54 0.00 0.00 174.62 172.98 1i1r s TRP 222 N -1.79 -0.15 -0.22 3.99 -2.14 -0.74 -0.05 118.94 117.83 1i1r s TRP 222 Ca -0.00 -0.17 -0.05 0.00 2.66 0.00 0.00 56.10 58.54 1i1r s TRP 222 Cb -0.07 0.64 -0.02 0.00 -3.10 0.00 0.00 33.47 30.92 1i1r s TRP 222 CO 0.01 -0.87 0.01 0.99 -2.66 0.00 0.00 176.95 174.43 1i1r s THR 223 N -3.37 3.92 0.73 0.66 2.01 0.83 -4.72 115.64 115.70 1i1r s THR 223 Ca 0.12 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1i1r s THR 223 Cb -0.02 -2.80 0.04 0.00 0.01 0.00 0.00 72.50 69.73 1i1r s THR 223 CO 0.02 0.40 1.10 0.20 -0.69 0.00 0.00 174.62 175.65 1i1r s ASN 224 N 1.32 4.72 0.46 3.53 0.01 -1.26 -1.30 114.94 122.41 1i1r s ASN 224 Ca 0.04 1.89 -0.21 0.00 -0.71 0.00 0.00 52.86 53.87 1i1r s ASN 224 Cb -0.15 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 38.90 1i1r s ASN 224 CO 0.01 -1.89 1.05 -2.16 -1.51 0.00 0.00 177.10 172.60 1i1r s PRO 225 N -4.61 3.88 0.55 -0.60 0.04 -1.26 -4.83 135.00 128.17 1i1r s PRO 225 Ca 0.63 1.42 0.34 0.00 0.04 0.00 0.00 61.00 63.43 1i1r s PRO 225 Cb -0.18 -2.22 1.50 0.00 0.04 0.00 0.00 34.50 33.64 1i1r s PRO 225 CO 0.51 -0.37 1.83 0.77 0.04 0.00 0.00 177.00 179.77 1i1r h SER 226 N 1.81 0.00 0.00 6.66 0.02 -1.95 -1.63 113.55 118.45 1i1r h SER 226 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1i1r h SER 226 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1i1r h SER 226 CO 0.60 0.00 0.04 0.00 -1.14 0.00 0.00 176.83 176.33 1i1r n ILE 227 N -4.13 0.96 0.28 3.27 0.13 -1.26 -1.34 119.36 117.27 1i1r n ILE 227 Ca 0.21 0.28 0.13 0.00 -1.10 0.00 0.00 62.75 62.27 1i1r n ILE 227 Cb 1.10 -1.28 0.61 0.00 -0.84 0.00 0.00 39.64 39.23 1i1r n ILE 227 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 1i1r h LYS 228 N 0.00 0.00 0.00 9.51 2.10 -1.51 0.35 116.57 127.02 1i1r h LYS 228 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1i1r h LYS 228 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1i1r h LYS 228 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1i1r h SER 229 N 0.00 0.00 0.00 7.07 4.64 -1.48 -3.33 113.55 120.45 1i1r h SER 229 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1i1r h SER 229 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1i1r h SER 229 CO 0.00 0.00 -1.64 0.52 -0.87 0.00 0.00 176.83 174.84 1i1r n VAL 230 N -2.59 0.64 -4.34 0.95 0.31 0.06 -5.07 118.33 108.29 1i1r n VAL 230 Ca 0.03 -0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 1i1r n VAL 230 Cb 0.33 -0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 32.29 1i1r n VAL 230 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1i1r s ILE 231 N -2.22 1.78 -0.12 2.52 -4.36 -0.89 -5.12 121.20 112.79 1i1r s ILE 231 Ca -0.13 -2.12 -0.19 0.00 -0.26 0.00 0.00 60.65 57.95 1i1r s ILE 231 Cb 0.04 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 1i1r s ILE 231 CO 0.28 -0.50 0.53 -0.63 0.24 0.00 0.00 174.94 174.87 1i1r s ILE 232 N -2.65 5.15 0.31 8.37 1.01 -1.26 -4.47 121.20 127.65 1i1r s ILE 232 Ca 0.20 1.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 1i1r s ILE 232 Cb -0.03 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 1i1r s ILE 232 CO 0.07 0.29 0.67 -0.76 0.00 0.00 0.00 174.94 175.21 1i1r s LEU 233 N 0.78 4.04 0.12 2.97 1.43 -1.26 -0.11 118.68 126.64 1i1r s LEU 233 Ca 0.28 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.53 1i1r s LEU 233 Cb -0.16 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1i1r s LEU 233 CO 0.12 -0.21 -0.17 -0.75 0.23 0.00 0.00 176.35 175.57 1i1r s LYS 234 N -3.21 1.09 0.21 1.70 2.20 -0.28 -0.91 119.74 120.53 1i1r s LYS 234 Ca 0.50 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1i1r s LYS 234 Cb -0.11 -1.13 -0.05 0.00 -1.51 0.00 0.00 37.83 35.03 1i1r s LYS 234 CO 0.23 0.24 0.05 0.71 -0.36 0.00 0.00 175.35 176.22 1i1r s TYR 235 N -1.73 1.33 -0.17 4.03 1.51 -0.38 -2.11 117.35 119.83 1i1r s TYR 235 Ca 0.08 -1.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.02 1i1r s TYR 235 Cb -0.07 -0.76 0.05 0.00 -0.11 0.00 0.00 41.96 41.07 1i1r s TYR 235 CO 0.04 -0.29 -0.01 -0.80 -1.11 0.00 0.00 175.55 173.38 1i1r s ASN 236 N -3.22 2.79 -0.22 2.29 0.02 -0.39 -4.79 114.94 111.41 1i1r s ASN 236 Ca 0.30 -0.70 -0.06 0.00 -1.02 0.00 0.00 52.86 51.38 1i1r s ASN 236 Cb 0.07 -0.74 -0.03 0.00 0.02 0.00 0.00 41.25 40.57 1i1r s ASN 236 CO 0.08 -0.24 0.04 -0.63 0.02 0.00 0.00 177.10 176.37 1i1r s ILE 237 N 1.75 4.18 0.08 0.60 1.01 -1.26 -2.15 121.20 125.40 1i1r s ILE 237 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.49 1i1r s ILE 237 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1i1r s ILE 237 CO -0.07 0.39 -0.14 -1.10 0.00 0.00 0.00 174.94 174.02 1i1r s GLN 238 N 1.21 2.06 0.02 2.79 -0.21 -0.06 -0.88 119.66 124.59 1i1r s GLN 238 Ca 0.04 -1.02 -0.21 0.00 0.02 0.00 0.00 55.36 54.19 1i1r s GLN 238 Cb -0.14 -2.24 0.04 0.00 1.00 0.00 0.00 33.01 31.67 1i1r s GLN 238 CO 0.02 0.52 0.47 1.52 -2.12 0.00 0.00 175.29 175.70 1i1r s TYR 239 N -1.09 -0.36 0.22 0.91 1.13 -0.80 -1.91 117.35 115.45 1i1r s TYR 239 Ca 0.18 0.46 -0.21 0.00 -1.41 0.00 0.00 57.07 56.08 1i1r s TYR 239 Cb -0.11 0.26 0.04 0.00 -1.10 0.00 0.00 41.96 41.05 1i1r s TYR 239 CO 0.10 -0.56 0.65 -0.98 -2.51 0.00 0.00 175.55 172.25 1i1r s ARG 240 N -2.01 1.55 0.47 -3.49 1.70 -1.05 -0.44 118.95 115.68 1i1r s ARG 240 Ca -0.08 -0.78 -0.19 0.00 -0.47 0.00 0.00 55.73 54.21 1i1r s ARG 240 Cb -0.02 0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 34.86 1i1r s ARG 240 CO 0.01 -0.69 0.98 0.95 -1.08 0.00 0.00 175.30 175.47 1i1r s THR 241 N -3.85 4.31 0.63 4.99 -4.23 -1.26 -1.38 115.64 114.85 1i1r s THR 241 Ca 0.07 1.32 0.24 0.00 -1.18 0.00 0.00 61.69 62.14 1i1r s THR 241 Cb -0.03 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.49 1i1r s THR 241 CO -0.02 -0.43 1.69 0.50 -0.54 0.00 0.00 174.62 175.82 1i1r h LYS 242 N 1.47 0.00 0.00 3.99 1.63 -0.91 -0.41 116.57 122.34 1i1r h LYS 242 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1i1r h LYS 242 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1i1r h LYS 242 CO 0.61 0.00 -1.06 -0.25 -3.45 0.00 0.00 179.45 175.30 1i1r n ASP 243 N -3.14 1.11 -4.66 4.20 8.00 -1.26 -5.00 116.55 115.80 1i1r n ASP 243 Ca 0.05 -0.48 -0.35 0.00 0.71 0.00 0.00 54.79 54.72 1i1r n ASP 243 Cb 0.71 1.27 0.11 0.00 -0.02 0.00 0.00 41.12 43.18 1i1r n ASP 243 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1r n ALA 244 N -1.60 -0.04 -0.02 2.24 0.00 -0.16 -4.95 120.51 115.98 1i1r n ALA 244 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.22 1i1r n ALA 244 Cb 0.28 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.39 1i1r n ALA 244 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i1r n SER 245 N -2.57 0.22 -4.46 0.00 3.41 -1.26 -4.86 113.62 104.10 1i1r n SER 245 Ca 0.13 0.09 -0.25 0.00 -0.26 0.00 0.00 58.87 58.59 1i1r n SER 245 Cb 0.50 1.25 -0.10 0.00 -0.26 0.00 0.00 64.21 65.60 1i1r n SER 245 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1i1r s THR 246 N -3.10 2.48 0.13 6.66 -4.23 -1.26 -5.14 115.64 111.17 1i1r s THR 246 Ca -0.07 -2.33 -0.10 0.00 -1.18 0.00 0.00 61.69 58.01 1i1r s THR 246 Cb 0.10 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.60 1i1r s THR 246 CO 0.86 -0.34 0.46 0.26 -0.54 0.00 0.00 174.62 175.31 1i1r s TRP 247 N -2.34 3.55 0.50 3.99 0.52 -1.26 -4.76 118.94 119.13 1i1r s TRP 247 Ca 0.28 0.83 0.08 0.00 0.02 0.00 0.00 56.10 57.31 1i1r s TRP 247 Cb -0.06 -2.20 0.04 0.00 -1.15 0.00 0.00 33.47 30.10 1i1r s TRP 247 CO 0.14 0.44 0.57 -1.12 0.02 0.00 0.00 176.95 177.00 1i1r s SER 248 N -1.95 5.08 -0.11 2.95 0.01 0.41 -4.93 113.70 115.17 1i1r s SER 248 Ca 0.38 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.69 1i1r s SER 248 Cb -0.13 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.07 1i1r s SER 248 CO 0.20 -1.02 0.29 -1.58 0.41 0.00 0.00 173.24 171.54 1i1r s GLN 249 N -4.40 0.36 0.46 12.44 0.74 -1.26 -1.91 119.66 126.10 1i1r s GLN 249 Ca 0.51 0.38 -0.23 0.00 0.05 0.00 0.00 55.36 56.06 1i1r s GLN 249 Cb -0.05 0.17 -0.07 0.00 1.10 0.00 0.00 33.01 34.16 1i1r s GLN 249 CO 0.31 -0.05 1.22 0.42 -0.55 0.00 0.00 175.29 176.64 1i1r s ILE 250 N 0.08 2.87 0.07 -2.34 1.09 -0.06 -4.89 121.20 118.00 1i1r s ILE 250 Ca -0.01 0.67 -0.30 0.00 -1.10 0.00 0.00 60.65 59.91 1i1r s ILE 250 Cb -0.02 -3.35 -0.09 0.00 -1.06 0.00 0.00 42.46 37.94 1i1r s ILE 250 CO 0.01 0.01 1.87 -2.84 -0.10 0.00 0.00 174.94 173.89 1i1r s PRO 251 N -2.65 4.15 0.38 2.79 0.02 -1.26 -4.64 135.00 133.79 1i1r s PRO 251 Ca 0.64 2.56 0.20 0.00 0.02 0.00 0.00 61.00 64.42 1i1r s PRO 251 Cb -0.32 -3.90 1.23 0.00 0.02 0.00 0.00 34.50 31.53 1i1r s PRO 251 CO 0.39 -0.89 1.65 -1.35 -0.33 0.00 0.00 177.00 176.46 1i1r h PRO 252 N 9.62 0.20 -0.30 5.54 0.11 -1.90 0.22 132.00 145.49 1i1r h PRO 252 Ca -0.47 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1i1r h PRO 252 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1i1r h PRO 252 CO 0.94 0.13 0.21 1.05 -0.21 0.00 0.00 178.00 180.13 1i1r h GLU 253 N 0.21 0.07 0.00 1.05 9.09 -1.93 -1.03 114.58 122.04 1i1r h GLU 253 Ca 0.77 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.17 1i1r h GLU 253 Cb 2.01 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 29.09 1i1r h GLU 253 CO -0.56 0.05 0.00 -0.44 0.05 0.00 0.00 179.01 178.10 1i1r h ASP 254 N 0.07 0.00 -1.03 3.06 5.19 -1.31 -3.23 116.42 119.16 1i1r h ASP 254 Ca 0.14 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 56.04 1i1r h ASP 254 Cb 0.46 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 39.55 1i1r h ASP 254 CO -0.01 0.00 -0.87 0.35 -3.12 0.00 0.00 179.24 175.59 1i1r n THR 255 N -2.90 2.13 0.71 0.35 -2.24 -0.42 -4.87 114.28 107.03 1i1r n THR 255 Ca 0.03 -4.19 0.08 0.00 -2.27 0.00 0.00 64.05 57.70 1i1r n THR 255 Cb 0.43 -0.67 0.24 0.00 -2.10 0.00 0.00 70.33 68.22 1i1r n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1r n ALA 256 N -0.53 2.45 -2.96 6.98 0.00 -1.00 -1.25 120.51 124.20 1i1r n ALA 256 Ca 0.33 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1i1r n ALA 256 Cb 0.81 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 1i1r n ALA 256 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i1r s SER 257 N -1.16 -0.13 0.10 0.00 0.15 -1.22 -4.63 113.70 106.81 1i1r s SER 257 Ca 0.31 -0.25 -0.35 0.00 0.70 0.00 0.00 55.95 56.36 1i1r s SER 257 Cb 0.16 0.39 -0.18 0.00 -1.71 0.00 0.00 66.02 64.68 1i1r s SER 257 CO 0.22 -0.68 0.98 0.41 1.20 0.00 0.00 173.24 175.38 1i1r n THR 258 N 0.34 0.75 -3.55 6.45 -1.04 -0.09 -4.78 114.28 112.36 1i1r n THR 258 Ca -0.18 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 61.57 1i1r n THR 258 Cb 0.61 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 1i1r n THR 258 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1r s ARG 259 N -0.33 0.97 -0.04 -2.82 1.70 -1.26 -5.01 118.95 112.17 1i1r s ARG 259 Ca 0.79 -0.40 0.05 0.00 -0.47 0.00 0.00 55.73 55.70 1i1r s ARG 259 Cb -1.04 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 33.83 1i1r s ARG 259 CO 0.55 -0.43 0.97 0.43 -1.08 0.00 0.00 175.30 175.74 1i1r n SER 260 N -0.31 1.64 -3.51 -2.89 7.64 -1.26 -4.84 113.62 110.10 1i1r n SER 260 Ca -0.09 -2.16 -0.10 0.00 1.01 0.00 0.00 58.87 57.53 1i1r n SER 260 Cb 0.62 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1i1r n SER 260 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1i1r s SER 261 N -1.37 -0.45 -0.28 6.43 1.04 -1.26 -1.79 113.70 116.01 1i1r s SER 261 Ca 0.09 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.22 1i1r s SER 261 Cb 0.08 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1i1r s SER 261 CO 0.01 -0.89 0.81 0.12 0.98 0.00 0.00 173.24 174.26 1i1r s PHE 262 N -3.54 -0.76 -0.32 5.02 5.36 -0.06 -4.98 117.98 118.69 1i1r s PHE 262 Ca 0.04 1.73 -0.11 0.00 -0.96 0.00 0.00 56.93 57.63 1i1r s PHE 262 Cb -0.01 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 43.04 1i1r s PHE 262 CO -0.09 -0.37 0.18 0.99 -1.46 0.00 0.00 175.22 174.47 1i1r s THR 263 N 0.71 4.81 -0.06 0.12 2.01 -1.26 0.68 115.64 122.64 1i1r s THR 263 Ca -0.02 -0.38 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1i1r s THR 263 Cb -0.05 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1i1r s THR 263 CO -0.07 0.03 0.63 -0.69 -0.69 0.00 0.00 174.62 173.83 1i1r s VAL 264 N 1.64 5.04 0.49 3.82 1.01 0.50 -4.96 120.40 127.95 1i1r s VAL 264 Ca 0.05 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1i1r s VAL 264 Cb -0.17 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1i1r s VAL 264 CO 0.08 0.31 0.16 -1.10 0.00 0.00 0.00 175.10 174.54 1i1r s GLN 265 N 0.53 2.20 -1.44 2.72 -0.21 -1.26 -2.00 119.66 120.20 1i1r s GLN 265 Ca 0.34 -2.15 -0.08 0.00 0.02 0.00 0.00 55.36 53.49 1i1r s GLN 265 Cb -0.17 -1.81 0.02 0.00 1.00 0.00 0.00 33.01 32.05 1i1r s GLN 265 CO 0.16 -0.36 0.98 -0.25 -2.12 0.00 0.00 175.29 173.70 1i1r n ASP 266 N -1.38 -6.06 -4.88 5.90 10.43 -0.49 -4.94 116.55 115.13 1i1r n ASP 266 Ca -0.09 -0.49 -0.33 0.00 2.57 0.00 0.00 54.79 56.45 1i1r n ASP 266 Cb 0.66 -4.82 -0.05 0.00 1.84 0.00 0.00 41.12 38.75 1i1r n ASP 266 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1i1r s LEU 267 N -7.11 4.28 0.41 0.64 1.43 -0.59 -5.04 118.68 112.70 1i1r s LEU 267 Ca 0.51 0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 54.08 1i1r s LEU 267 Cb -0.23 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 1i1r s LEU 267 CO 0.63 0.08 1.19 -0.54 0.23 0.00 0.00 176.35 177.94 1i1r s LYS 268 N -2.41 3.99 0.68 1.70 1.02 -1.26 -3.92 119.74 119.55 1i1r s LYS 268 Ca 0.39 1.87 -0.17 0.00 0.02 0.00 0.00 55.97 58.08 1i1r s LYS 268 Cb -0.13 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1i1r s LYS 268 CO 0.22 -0.38 1.24 -1.25 -0.92 0.00 0.00 175.35 174.25 1i1r s PRO 269 N -2.35 2.38 -1.39 -1.68 0.04 -1.24 -3.49 135.00 127.27 1i1r s PRO 269 Ca 0.58 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 63.40 1i1r s PRO 269 Cb -0.31 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.48 1i1r s PRO 269 CO 0.39 -1.68 0.24 0.34 0.04 0.00 0.00 177.00 176.34 1i1r n PHE 270 N -2.29 -0.98 -4.84 0.56 7.35 0.27 -4.92 117.46 112.62 1i1r n PHE 270 Ca 0.14 0.52 -0.31 0.00 -0.76 0.00 0.00 57.45 57.05 1i1r n PHE 270 Cb 0.49 -1.88 -0.14 0.00 0.35 0.00 0.00 39.48 38.31 1i1r n PHE 270 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1i1r s THR 271 N -3.47 2.53 -0.07 -2.13 2.01 -1.23 -4.87 115.64 108.42 1i1r s THR 271 Ca 0.34 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 1i1r s THR 271 Cb -0.20 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 1i1r s THR 271 CO 0.82 0.41 0.48 -0.70 -0.69 0.00 0.00 174.62 174.93 1i1r s GLU 272 N -1.19 4.25 0.04 4.92 2.12 -1.26 -1.92 118.70 125.66 1i1r s GLU 272 Ca 0.13 0.49 0.08 0.00 0.36 0.00 0.00 54.97 56.03 1i1r s GLU 272 Cb -0.10 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1i1r s GLU 272 CO 0.03 0.32 -0.24 0.71 -0.54 0.00 0.00 175.26 175.53 1i1r s TYR 273 N 0.09 2.12 -0.08 5.30 2.02 0.62 -0.19 117.35 127.23 1i1r s TYR 273 Ca 0.26 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1i1r s TYR 273 Cb -0.16 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1i1r s TYR 273 CO 0.12 0.11 -0.13 0.08 -1.57 0.00 0.00 175.55 174.16 1i1r s VAL 274 N -0.79 3.12 0.15 0.71 1.01 -0.48 -1.54 120.40 122.58 1i1r s VAL 274 Ca 0.10 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1i1r s VAL 274 Cb -0.09 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1i1r s VAL 274 CO 0.02 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 1i1r s PHE 275 N -0.34 1.79 -0.11 5.22 0.40 0.29 -2.52 117.98 122.70 1i1r s PHE 275 Ca 0.03 -0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 1i1r s PHE 275 Cb -0.13 -0.92 0.04 0.00 0.51 0.00 0.00 43.02 42.53 1i1r s PHE 275 CO 0.02 0.29 0.41 -0.98 0.70 0.00 0.00 175.22 175.66 1i1r s ARG 276 N -2.55 0.57 0.05 0.44 1.70 -0.80 -0.24 118.95 118.12 1i1r s ARG 276 Ca 0.13 0.36 0.01 0.00 -0.47 0.00 0.00 55.73 55.75 1i1r s ARG 276 Cb -0.07 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1i1r s ARG 276 CO 0.06 -0.11 -0.05 -1.50 -1.08 0.00 0.00 175.30 172.62 1i1r s ILE 277 N -0.27 0.39 0.08 4.99 2.07 -1.26 -0.88 121.20 126.32 1i1r s ILE 277 Ca -0.04 -1.49 -0.08 0.00 -1.41 0.00 0.00 60.65 57.63 1i1r s ILE 277 Cb -0.03 -1.09 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 1i1r s ILE 277 CO 0.02 -0.72 0.16 0.00 -1.91 0.00 0.00 174.94 172.49 1i1r s ARG 278 N -2.86 0.79 0.10 3.50 1.70 -0.92 -0.80 118.95 120.46 1i1r s ARG 278 Ca -0.00 -0.93 -0.04 0.00 -0.47 0.00 0.00 55.73 54.28 1i1r s ARG 278 Cb -0.01 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1i1r s ARG 278 CO -0.04 -0.24 0.10 0.00 -1.08 0.00 0.00 175.30 174.04 1i1r s MET 280 N -3.95 1.67 0.27 0.00 0.23 -0.90 -1.49 119.30 115.13 1i1r s MET 280 Ca 0.13 -0.97 -0.30 0.00 -1.03 0.00 0.00 55.69 53.53 1i1r s MET 280 Cb 0.06 0.54 -0.13 0.00 -1.53 0.00 0.00 34.83 33.77 1i1r s MET 280 CO -0.05 -0.77 1.25 1.17 -2.03 0.00 0.00 175.02 174.58 1i1r n LYS 281 N -0.49 1.79 -0.18 3.16 4.81 -1.26 -1.13 118.16 124.85 1i1r n LYS 281 Ca -0.05 0.63 0.20 0.00 -0.87 0.00 0.00 58.31 58.22 1i1r n LYS 281 Cb 0.60 -2.18 0.57 0.00 0.02 0.00 0.00 35.03 34.04 1i1r n LYS 281 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1i1r h GLU 282 N 3.09 0.28 -0.10 1.64 4.22 -0.77 -1.61 114.58 121.32 1i1r h GLU 282 Ca -0.44 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1i1r h GLU 282 Cb 1.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1i1r h GLU 282 CO 0.68 0.18 0.00 -0.40 -2.18 0.00 0.00 179.01 177.29 1i1r n ASP 283 N -4.44 0.68 0.00 1.04 5.68 -1.26 -4.87 116.55 113.38 1i1r n ASP 283 Ca 0.17 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1i1r n ASP 283 Cb 0.69 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1i1r n ASP 283 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1r n GLY 284 N 0.81 0.54 3.39 6.12 0.00 -0.61 -4.97 105.19 110.47 1i1r n GLY 284 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1i1r n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1r s LYS 285 N -0.42 3.05 0.00 1.61 1.02 -1.26 -4.89 119.74 118.85 1i1r s LYS 285 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1i1r s LYS 285 Cb 0.00 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 1i1r s LYS 285 CO 0.00 -1.30 0.00 0.41 -0.92 0.00 0.00 175.35 173.54 1i1r n GLY 286 N 5.22 0.68 3.30 -3.33 0.00 -1.06 -4.43 105.19 105.57 1i1r n GLY 286 Ca -0.10 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1i1r n GLY 286 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1r s TYR 287 N -3.36 2.24 0.31 1.61 1.51 0.45 -4.92 117.35 115.19 1i1r s TYR 287 Ca 0.00 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 1i1r s TYR 287 Cb 0.00 -1.42 -0.10 0.00 -0.11 0.00 0.00 41.96 40.32 1i1r s TYR 287 CO 0.00 -0.01 1.38 -1.58 -1.11 0.00 0.00 175.55 174.24 1i1r s TRP 288 N -0.63 2.97 0.96 2.71 0.52 -1.26 -4.13 118.94 120.07 1i1r s TRP 288 Ca 0.10 1.23 -0.14 0.00 0.02 0.00 0.00 56.10 57.32 1i1r s TRP 288 Cb -0.10 -3.78 0.17 0.00 -1.15 0.00 0.00 33.47 28.61 1i1r s TRP 288 CO -0.00 -2.33 1.15 -1.54 0.02 0.00 0.00 176.95 174.25 1i1r s SER 289 N -0.12 3.06 0.91 2.95 1.04 -0.56 -4.84 113.70 116.14 1i1r s SER 289 Ca 0.53 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.70 1i1r s SER 289 Cb -0.42 -1.34 0.14 0.00 0.10 0.00 0.00 66.02 64.50 1i1r s SER 289 CO 0.51 -2.82 1.13 -1.81 0.98 0.00 0.00 173.24 171.23 1i1r s ASP 290 N -4.06 3.52 0.37 7.02 1.01 -1.26 -4.71 116.67 118.56 1i1r s ASP 290 Ca 0.66 1.02 -0.26 0.00 0.71 0.00 0.00 52.55 54.67 1i1r s ASP 290 Cb -0.13 -1.61 -0.09 0.00 1.01 0.00 0.00 42.92 42.09 1i1r s ASP 290 CO 0.54 -2.55 1.13 0.26 0.21 0.00 0.00 175.17 174.76 1i1r s TRP 291 N -3.24 3.24 1.30 4.23 0.52 -1.26 -4.32 118.94 119.41 1i1r s TRP 291 Ca 0.64 1.60 -0.22 0.00 0.02 0.00 0.00 56.10 58.14 1i1r s TRP 291 Cb -0.15 -3.32 0.32 0.00 -1.15 0.00 0.00 33.47 29.17 1i1r s TRP 291 CO 0.54 -1.00 1.06 -1.54 0.02 0.00 0.00 176.95 176.03 1i1r s SER 292 N -1.13 0.06 0.50 2.95 1.04 0.01 -4.89 113.70 112.25 1i1r s SER 292 Ca 0.54 0.60 -0.21 0.00 0.48 0.00 0.00 55.95 57.35 1i1r s SER 292 Cb -0.30 -0.80 -0.07 0.00 0.10 0.00 0.00 66.02 64.96 1i1r s SER 292 CO 0.38 -4.65 1.15 -1.61 0.98 0.00 0.00 173.24 169.49 1i1r s GLU 293 N -5.40 3.54 0.54 4.02 0.41 -1.26 -4.69 118.70 115.86 1i1r s GLU 293 Ca 0.71 1.71 -0.19 0.00 -0.41 0.00 0.00 54.97 56.79 1i1r s GLU 293 Cb -0.09 -2.21 -0.06 0.00 -1.78 0.00 0.00 34.13 29.99 1i1r s GLU 293 CO 0.56 -0.72 1.09 -1.21 -0.49 0.00 0.00 175.26 174.49 1i1r s GLU 294 N -2.99 3.46 0.00 1.61 2.02 -1.26 -4.72 118.70 116.83 1i1r s GLU 294 Ca 0.68 1.45 0.03 0.00 0.02 0.00 0.00 54.97 57.15 1i1r s GLU 294 Cb -0.27 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1i1r s GLU 294 CO 0.31 -0.73 -0.09 0.00 0.02 0.00 0.00 175.26 174.77 1i1r s ALA 295 N -1.98 0.78 0.17 5.21 0.00 0.66 -4.92 121.76 121.68 1i1r s ALA 295 Ca 0.69 -0.46 0.10 0.00 0.00 0.00 0.00 51.96 52.29 1i1r s ALA 295 Cb -0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1i1r s ALA 295 CO 0.27 0.17 -0.19 -1.12 0.00 0.00 0.00 175.76 174.89 1i1r s SER 296 N -0.40 3.73 0.19 0.00 0.01 -1.26 0.11 113.70 116.07 1i1r s SER 296 Ca 0.02 -0.73 -0.23 0.00 1.31 0.00 0.00 55.95 56.33 1i1r s SER 296 Cb -0.04 -0.43 0.06 0.00 0.21 0.00 0.00 66.02 65.81 1i1r s SER 296 CO -0.00 0.13 0.63 -0.83 0.41 0.00 0.00 173.24 173.58 1i1r s GLY 297 N -2.61 -0.49 -0.03 3.44 0.00 -0.59 -4.37 107.32 102.68 1i1r s GLY 297 Ca 0.21 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.25 1i1r s GLY 297 CO 0.11 0.10 -0.10 -0.42 0.00 0.00 0.00 173.10 172.79 1i1r s ILE 298 N -3.79 0.84 0.72 0.90 1.01 -1.26 -0.28 121.20 119.34 1i1r s ILE 298 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1i1r s ILE 298 Cb -0.02 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1i1r s ILE 298 CO -0.08 0.26 1.07 0.42 0.00 0.00 0.00 174.94 176.61 1i1r s THR 299 N 0.21 3.82 0.87 2.92 -4.23 -0.81 -4.86 115.64 113.57 1i1r s THR 299 Ca -0.04 0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 60.95 1i1r s THR 299 Cb -0.09 -3.29 0.12 0.00 1.34 0.00 0.00 72.50 70.57 1i1r s THR 299 CO 0.01 -0.77 1.11 -0.31 -0.54 0.00 0.00 174.62 174.12 1i1r s TYR 300 N -3.03 2.58 0.59 3.99 1.51 -1.26 -3.45 117.35 118.27 1i1r s TYR 300 Ca 0.59 1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 57.50 1i1r s TYR 300 Cb -0.15 -3.25 -0.03 0.00 -0.11 0.00 0.00 41.96 38.41 1i1r s TYR 300 CO 0.55 -2.19 1.07 -1.21 -1.11 0.00 0.00 175.55 172.66 1i1r s GLU 301 N -5.17 3.26 0.00 -0.62 2.02 -1.26 -0.56 118.70 116.36 1i1r s GLU 301 Ca 0.63 1.29 0.09 0.00 0.02 0.00 0.00 54.97 57.00 1i1r s GLU 301 Cb -0.15 -2.02 0.54 0.00 0.10 0.00 0.00 34.13 32.60 1i1r s GLU 301 CO 0.54 -0.87 0.99 -3.47 0.02 0.00 0.00 175.26 172.47