#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9a n ASP 12 N 0.00 -5.30 -4.71 0.00 5.68 -1.26 -4.85 116.55 106.12 2i9a n ASP 12 Ca 0.00 -1.01 -0.39 0.00 -0.50 0.00 0.00 54.79 52.89 2i9a n ASP 12 Cb 0.00 -3.18 -0.05 0.00 -1.14 0.00 0.00 41.12 36.75 2i9a n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2i9a s LEU 14 N 0.85 3.59 -1.46 0.00 1.43 0.11 -4.58 118.68 118.62 2i9a s LEU 14 Ca 0.33 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2i9a s LEU 14 Cb -0.17 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.57 2i9a s LEU 14 CO 0.15 -0.82 0.93 0.59 0.23 0.00 0.00 176.35 177.43 2i9a n ASN 15 N -1.88 -5.57 0.00 2.29 3.02 -1.26 -1.40 115.26 110.46 2i9a n ASN 15 Ca 0.09 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 2i9a n ASN 15 Cb 0.59 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 2i9a n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i9a n GLY 16 N -1.72 0.67 3.77 7.41 0.00 -1.26 -4.70 105.19 109.36 2i9a n GLY 16 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2i9a n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i9a s GLY 17 N -1.95 1.84 -0.14 -0.02 0.00 -0.50 -4.62 107.32 101.93 2i9a s GLY 17 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.10 2i9a s GLY 17 CO 0.00 0.72 -0.15 -1.59 0.00 0.00 0.00 173.10 172.07 2i9a s THR 18 N -2.71 1.63 0.00 0.90 2.01 -0.62 -4.73 115.64 112.13 2i9a s THR 18 Ca 0.63 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2i9a s THR 18 Cb -0.18 -1.50 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 2i9a s THR 18 CO 0.51 0.47 1.60 0.00 -0.69 0.00 0.00 174.62 176.51 2i9a s VAL 20 N 3.18 2.20 0.49 0.00 -7.23 0.08 -4.95 120.40 114.17 2i9a s VAL 20 Ca 0.72 -1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.09 2i9a s VAL 20 Cb -0.35 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.58 2i9a s VAL 20 CO 0.30 0.17 0.95 -0.94 -0.31 0.00 0.00 175.10 175.27 2i9a s SER 21 N -1.80 6.64 0.17 4.85 1.04 -1.26 -1.23 113.70 122.11 2i9a s SER 21 Ca 0.13 1.52 -0.31 0.00 0.48 0.00 0.00 55.95 57.77 2i9a s SER 21 Cb -0.10 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.45 2i9a s SER 21 CO 0.05 -0.54 1.39 0.21 0.98 0.00 0.00 173.24 175.33 2i9a s ASN 22 N -3.00 6.79 0.46 7.02 3.84 0.04 -4.83 114.94 125.27 2i9a s ASN 22 Ca 0.58 2.44 0.19 0.00 0.21 0.00 0.00 52.86 56.28 2i9a s ASN 22 Cb -0.10 -2.60 1.12 0.00 -0.55 0.00 0.00 41.25 39.12 2i9a s ASN 22 CO 0.30 -0.63 2.00 0.50 -2.79 0.00 0.00 177.10 176.47 2i9a h LYS 23 N 5.97 0.00 0.00 0.43 3.64 -1.94 -3.31 116.57 121.37 2i9a h LYS 23 Ca -0.44 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.88 2i9a h LYS 23 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2i9a h LYS 23 CO 0.82 0.19 -1.44 0.66 -2.27 0.00 0.00 179.45 177.40 2i9a n TYR 24 N -4.07 0.00 -4.72 1.91 4.01 -1.26 -5.00 117.16 108.04 2i9a n TYR 24 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 2i9a n TYR 24 Cb 0.26 -0.27 -0.14 0.00 -0.31 0.00 0.00 39.34 38.88 2i9a n TYR 24 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2i9a s PHE 25 N -2.42 2.84 0.37 -0.72 0.08 -1.25 -5.10 117.98 111.79 2i9a s PHE 25 Ca -0.03 -0.55 -0.28 0.00 0.12 0.00 0.00 56.93 56.18 2i9a s PHE 25 Cb 0.04 -1.85 -0.11 0.00 -0.57 0.00 0.00 43.02 40.53 2i9a s PHE 25 CO 0.34 -0.15 1.49 -1.54 -0.10 0.00 0.00 175.22 175.25 2i9a s SER 26 N 0.28 6.36 -1.19 1.36 1.04 -1.26 -3.77 113.70 116.52 2i9a s SER 26 Ca -0.08 3.04 0.00 0.00 0.48 0.00 0.00 55.95 59.38 2i9a s SER 26 Cb -0.15 -2.67 0.00 0.00 0.10 0.00 0.00 66.02 63.30 2i9a s SER 26 CO 0.05 -0.87 0.00 0.59 0.98 0.00 0.00 173.24 173.99 2i9a n ASN 27 N 0.54 -4.70 -4.58 7.02 3.02 -1.26 -4.98 115.26 110.31 2i9a n ASN 27 Ca 0.01 0.28 -0.32 0.00 -0.03 0.00 0.00 54.58 54.52 2i9a n ASN 27 Cb 0.39 -3.19 -0.11 0.00 -0.61 0.00 0.00 39.78 36.27 2i9a n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2i9a s ILE 28 N -2.30 3.52 0.09 2.41 1.01 -1.25 -5.05 121.20 119.64 2i9a s ILE 28 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2i9a s ILE 28 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2i9a s ILE 28 CO 0.00 0.38 -0.07 -1.00 0.00 0.00 0.00 174.94 174.25 2i9a s HIS 29 N -0.99 0.86 0.08 3.97 3.76 -1.26 -0.78 115.29 120.92 2i9a s HIS 29 Ca 0.17 -0.85 -0.04 0.00 -0.15 0.00 0.00 55.06 54.19 2i9a s HIS 29 Cb -0.11 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 2i9a s HIS 29 CO 0.07 -0.13 0.07 1.67 -0.85 0.00 0.00 174.74 175.57 2i9a s TRP 30 N -3.26 0.43 -0.34 1.40 1.48 -0.36 -1.71 118.94 116.57 2i9a s TRP 30 Ca 0.08 -0.91 -0.21 0.00 -1.06 0.00 0.00 56.10 54.00 2i9a s TRP 30 Cb 0.03 -0.27 0.00 0.00 -1.16 0.00 0.00 33.47 32.07 2i9a s TRP 30 CO -0.04 -0.47 0.69 0.00 -4.06 0.00 0.00 176.95 173.07 2i9a s ASN 32 N 1.75 6.63 0.04 0.00 3.84 0.08 -4.88 114.94 122.40 2i9a s ASN 32 Ca 0.27 0.47 -0.06 0.00 0.21 0.00 0.00 52.86 53.76 2i9a s ASN 32 Cb -0.14 -2.45 -0.05 0.00 -0.55 0.00 0.00 41.25 38.05 2i9a s ASN 32 CO 0.14 -0.88 0.29 0.00 -2.79 0.00 0.00 177.10 173.87 2i9a s PRO 34 N -2.01 1.57 0.53 0.00 0.04 -1.26 -4.87 135.00 129.00 2i9a s PRO 34 Ca 0.31 1.69 0.24 0.00 0.04 0.00 0.00 61.00 63.28 2i9a s PRO 34 Cb -0.13 -1.78 1.48 0.00 0.04 0.00 0.00 34.50 34.11 2i9a s PRO 34 CO 0.19 -2.25 2.13 1.57 0.04 0.00 0.00 177.00 178.68 2i9a h LYS 35 N -1.07 0.00 0.00 4.56 -0.00 -1.98 -1.40 116.57 116.68 2i9a h LYS 35 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 2i9a h LYS 35 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 2i9a h LYS 35 CO 0.46 0.08 0.00 1.63 -0.00 0.00 0.00 179.45 181.61 2i9a n LYS 36 N -3.95 0.22 -4.47 0.07 5.02 -1.26 -4.82 118.16 108.97 2i9a n LYS 36 Ca -0.02 0.06 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 2i9a n LYS 36 Cb 0.17 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 2i9a n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2i9a s PHE 37 N -2.74 2.08 0.32 2.13 0.40 -0.53 -0.20 117.98 119.44 2i9a s PHE 37 Ca 0.19 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.19 2i9a s PHE 37 Cb 0.17 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 2i9a s PHE 37 CO 0.41 0.23 0.25 0.20 0.70 0.00 0.00 175.22 177.01 2i9a s GLY 38 N -1.77 2.26 0.00 4.36 0.00 -0.30 -4.65 107.32 107.22 2i9a s GLY 38 Ca 0.10 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 42.87 2i9a s GLY 38 CO 0.04 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.25 2i9a n GLY 39 N -0.61 2.45 0.33 0.20 0.00 -1.26 -1.65 105.19 104.65 2i9a n GLY 39 Ca 0.06 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.30 2i9a n GLY 39 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2i9a h GLN 40 N 0.00 0.00 -0.10 1.61 4.15 -2.01 -2.04 115.11 116.73 2i9a h GLN 40 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2i9a h GLN 40 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2i9a h GLN 40 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 2i9a n HIS 41 N -4.41 0.24 -3.16 3.99 8.25 -1.26 -4.29 115.22 114.57 2i9a n HIS 41 Ca 0.04 -0.75 -0.23 0.00 -0.26 0.00 0.00 57.72 56.52 2i9a n HIS 41 Cb 0.39 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.41 2i9a n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i9a n GLU 43 N -4.16 0.16 -3.96 0.00 0.00 -0.66 -4.52 120.64 107.51 2i9a n GLU 43 Ca -0.08 0.05 -0.35 0.00 0.00 0.00 0.00 57.16 56.77 2i9a n GLU 43 Cb 0.60 -1.60 -0.11 0.00 0.00 0.00 0.00 31.44 30.33 2i9a n GLU 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2i9a s ILE 44 N -3.09 4.45 -0.46 3.84 -1.09 -0.73 -4.91 121.20 119.21 2i9a s ILE 44 Ca 0.09 -0.14 -0.25 0.00 -2.23 0.00 0.00 60.65 58.12 2i9a s ILE 44 Cb 0.15 -3.03 0.03 0.00 -1.58 0.00 0.00 42.46 38.03 2i9a s ILE 44 CO 0.70 0.41 0.90 -0.62 -1.23 0.00 0.00 174.94 175.10 2i9a s ASP 45 N 0.93 6.48 0.34 3.58 -1.08 -0.23 -1.15 116.67 125.54 2i9a s ASP 45 Ca 0.03 0.06 0.24 0.00 -0.52 0.00 0.00 52.55 52.35 2i9a s ASP 45 Cb -0.14 -2.44 0.38 0.00 -1.46 0.00 0.00 42.92 39.26 2i9a s ASP 45 CO 0.03 -1.04 1.54 0.11 0.52 0.00 0.00 175.17 176.33 2i9a h LYS 46 N 9.08 0.00 0.00 4.34 1.57 -0.89 -3.35 116.57 127.33 2i9a h LYS 46 Ca -0.24 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2i9a h LYS 46 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2i9a h LYS 46 CO 1.02 0.00 -1.39 -1.13 -0.57 0.00 0.00 179.45 177.38 2i9a n SER 47 N -2.83 3.20 -4.73 0.86 3.41 -1.23 -4.92 113.62 107.37 2i9a n SER 47 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 2i9a n SER 47 Cb 0.51 1.22 -0.03 0.00 -0.26 0.00 0.00 64.21 65.65 2i9a n SER 47 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2i9a s LYS 48 N -2.47 4.18 0.00 4.33 1.02 -1.26 -4.91 119.74 120.63 2i9a s LYS 48 Ca -0.03 2.45 0.07 0.00 0.02 0.00 0.00 55.97 58.48 2i9a s LYS 48 Cb 0.04 -3.10 0.10 0.00 -0.52 0.00 0.00 37.83 34.36 2i9a s LYS 48 CO 0.32 -0.61 0.87 0.25 -0.92 0.00 0.00 175.35 175.27 2i9a n THR 49 N 3.22 0.35 -3.97 2.17 -2.24 -1.26 -4.54 114.28 108.01 2i9a n THR 49 Ca 0.11 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 2i9a n THR 49 Cb 0.38 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 2i9a n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i9a s TYR 51 N -3.67 2.74 -0.02 0.00 -0.85 -0.50 -4.78 117.35 110.27 2i9a s TYR 51 Ca 0.21 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.59 2i9a s TYR 51 Cb -0.02 -1.25 -0.03 0.00 0.38 0.00 0.00 41.96 41.04 2i9a s TYR 51 CO 0.11 0.58 -0.09 -1.21 -1.52 0.00 0.00 175.55 173.42 2i9a s GLU 52 N -3.46 2.56 7.78 -3.49 2.02 -1.26 -0.52 118.70 122.32 2i9a s GLU 52 Ca 0.30 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2i9a s GLU 52 Cb -0.07 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2i9a s GLU 52 CO 0.19 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.50 2i9a n GLY 53 N 1.87 3.40 0.36 -1.39 0.00 -1.26 -1.03 105.19 107.14 2i9a n GLY 53 Ca -0.16 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 45.89 2i9a n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i9a n ASN 54 N 6.77 1.17 -0.49 1.61 6.94 -1.26 -4.92 115.26 125.09 2i9a n ASN 54 Ca 0.00 -1.31 -0.06 0.00 -0.02 0.00 0.00 54.58 53.19 2i9a n ASN 54 Cb 0.00 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 2i9a n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i9a n GLY 55 N 1.17 0.87 0.38 4.83 0.00 -0.20 -3.41 105.19 108.82 2i9a n GLY 55 Ca 0.19 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.60 2i9a n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2i9a h HIS 56 N 0.00 0.46 -0.22 1.61 6.17 -1.83 -2.10 115.15 119.25 2i9a h HIS 56 Ca -0.13 0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.96 2i9a h HIS 56 Cb 0.42 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.20 2i9a h HIS 56 CO 0.18 0.18 0.00 1.19 0.71 0.00 0.00 177.93 180.19 2i9a n PHE 57 N -4.47 0.53 -1.67 5.26 3.72 -1.26 -4.60 117.46 114.97 2i9a n PHE 57 Ca 0.13 -0.72 -0.46 0.00 -0.05 0.00 0.00 57.45 56.36 2i9a n PHE 57 Cb 0.51 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.84 2i9a n PHE 57 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2i9a n TYR 58 N -0.29 2.26 -1.84 1.38 9.36 -0.79 -4.91 117.16 122.34 2i9a n TYR 58 Ca 0.14 0.25 0.03 0.00 3.32 0.00 0.00 57.90 61.65 2i9a n TYR 58 Cb 0.62 -2.55 0.04 0.00 -0.63 0.00 0.00 39.34 36.82 2i9a n TYR 58 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2i9a n ARG 59 N 3.67 0.34 0.00 2.98 5.12 -1.26 -4.80 116.66 122.71 2i9a n ARG 59 Ca 0.17 -1.56 0.00 0.00 -1.93 0.00 0.00 57.85 54.54 2i9a n ARG 59 Cb 0.29 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 2i9a n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i9a n GLY 60 N -0.30 -1.17 1.08 -0.13 0.00 -1.26 -1.07 105.19 102.34 2i9a n GLY 60 Ca 0.05 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.49 2i9a n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9a n LYS 61 N -0.97 3.27 -1.73 1.61 5.02 -1.25 -4.66 118.16 119.44 2i9a n LYS 61 Ca 0.00 -2.65 -0.42 0.00 -2.02 0.00 0.00 58.31 53.22 2i9a n LYS 61 Cb 0.00 -1.72 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 2i9a n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9a n ALA 62 N 0.31 1.84 -2.19 7.82 0.00 -1.26 -4.87 120.51 122.17 2i9a n ALA 62 Ca 0.20 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.99 2i9a n ALA 62 Cb 0.78 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 2i9a n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2i9a n SER 63 N 0.93 -0.04 -4.04 0.00 3.41 -1.26 -0.46 113.62 112.16 2i9a n SER 63 Ca 0.04 -1.88 -0.22 0.00 -0.26 0.00 0.00 58.87 56.55 2i9a n SER 63 Cb 0.37 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 2i9a n SER 63 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2i9a s THR 64 N 0.00 0.99 0.83 6.66 2.01 -1.26 -1.14 115.64 123.73 2i9a s THR 64 Ca 0.13 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2i9a s THR 64 Cb 0.14 -0.87 0.11 0.00 0.01 0.00 0.00 72.50 71.90 2i9a s THR 64 CO -0.06 0.30 1.18 1.51 -0.69 0.00 0.00 174.62 176.86 2i9a s ASP 65 N 0.19 4.14 0.33 3.53 3.84 0.31 -0.66 116.67 128.35 2i9a s ASP 65 Ca -0.04 0.50 0.25 0.00 -0.00 0.00 0.00 52.55 53.26 2i9a s ASP 65 Cb -0.10 -0.88 1.18 0.00 -1.38 0.00 0.00 42.92 41.73 2i9a s ASP 65 CO 0.01 -2.09 1.76 0.71 -0.00 0.00 0.00 175.17 175.56 2i9a h THR 66 N -1.11 0.00 -0.28 2.11 1.35 -1.35 -0.50 112.91 113.12 2i9a h THR 66 Ca -0.45 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2i9a h THR 66 Cb 1.30 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2i9a h THR 66 CO 0.55 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 176.05 2i9a n MET 67 N -2.37 2.05 -1.39 4.72 2.81 -1.26 -4.93 117.12 116.74 2i9a n MET 67 Ca 0.00 -1.58 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 2i9a n MET 67 Cb 0.15 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2i9a n MET 67 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i9a n GLY 68 N 1.28 0.38 3.81 3.03 0.00 -0.20 -5.06 105.19 108.43 2i9a n GLY 68 Ca 0.17 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 2i9a n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i9a s ARG 69 N -2.78 3.18 0.22 1.61 0.52 -1.26 -4.88 118.95 115.56 2i9a s ARG 69 Ca 0.00 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 2i9a s ARG 69 Cb 0.00 -2.94 -0.09 0.00 0.52 0.00 0.00 34.95 32.44 2i9a s ARG 69 CO 0.00 0.68 1.23 -1.25 0.02 0.00 0.00 175.30 175.98 2i9a s PRO 70 N -1.59 4.46 0.52 3.54 0.04 -1.26 -0.53 135.00 140.18 2i9a s PRO 70 Ca 0.22 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 2i9a s PRO 70 Cb -0.12 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 2i9a s PRO 70 CO 0.12 -0.11 1.34 0.00 0.04 0.00 0.00 177.00 178.39 2i9a s LEU 72 N -3.32 4.07 0.44 0.00 1.43 0.68 -4.86 118.68 117.12 2i9a s LEU 72 Ca 0.69 2.03 -0.25 0.00 -1.03 0.00 0.00 54.13 55.56 2i9a s LEU 72 Cb -0.39 -4.27 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 2i9a s LEU 72 CO 0.47 -0.57 1.30 -2.84 0.23 0.00 0.00 176.35 174.94 2i9a s PRO 73 N -2.66 3.80 0.23 1.29 0.02 -1.26 -4.61 135.00 131.81 2i9a s PRO 73 Ca 0.60 2.12 0.20 0.00 0.02 0.00 0.00 61.00 63.94 2i9a s PRO 73 Cb -0.21 -2.62 0.93 0.00 0.02 0.00 0.00 34.50 32.61 2i9a s PRO 73 CO 0.26 -0.62 1.61 0.91 -0.33 0.00 0.00 177.00 178.83 2i9a n TRP 74 N -0.15 0.63 -0.59 6.54 7.02 -0.30 -2.26 117.44 128.33 2i9a n TRP 74 Ca 0.05 0.28 0.07 0.00 -1.02 0.00 0.00 57.50 56.88 2i9a n TRP 74 Cb 0.44 -0.95 0.20 0.00 -2.42 0.00 0.00 31.31 28.58 2i9a n TRP 74 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2i9a n ASN 75 N -2.11 3.35 -4.78 -0.99 6.94 -1.25 -1.21 115.26 115.21 2i9a n ASN 75 Ca 0.01 -2.52 -0.35 0.00 -0.02 0.00 0.00 54.58 51.70 2i9a n ASN 75 Cb 0.13 -0.38 -0.01 0.00 -2.36 0.00 0.00 39.78 37.17 2i9a n ASN 75 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2i9a s SER 76 N -1.50 5.92 0.27 0.53 1.04 -0.96 -4.87 113.70 114.13 2i9a s SER 76 Ca 0.32 2.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.88 2i9a s SER 76 Cb 0.23 -2.58 0.58 0.00 0.10 0.00 0.00 66.02 64.34 2i9a s SER 76 CO 0.12 -1.08 1.72 0.00 0.98 0.00 0.00 173.24 174.97 2i9a h ALA 77 N 1.39 1.23 -0.50 5.32 0.00 -1.94 -1.61 119.26 123.16 2i9a h ALA 77 Ca -0.50 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2i9a h ALA 77 Cb 1.25 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2i9a h ALA 77 CO 0.58 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 2i9a h THR 78 N 0.44 1.27 -0.14 0.00 1.03 -1.94 -3.04 112.91 110.53 2i9a h THR 78 Ca 0.48 -1.23 -0.12 0.00 -0.01 0.00 0.00 66.41 65.53 2i9a h THR 78 Cb 0.81 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 2i9a h THR 78 CO -0.46 0.43 -0.44 0.58 -0.01 0.00 0.00 175.52 175.62 2i9a h VAL 79 N 0.81 1.32 0.00 0.00 2.07 -1.75 -2.50 116.25 116.20 2i9a h VAL 79 Ca 0.13 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2i9a h VAL 79 Cb 0.65 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2i9a h VAL 79 CO 0.04 0.49 0.00 -0.07 0.02 0.00 0.00 177.57 178.05 2i9a h LEU 80 N 0.28 0.00 -1.84 2.57 3.38 -1.18 0.19 115.31 118.71 2i9a h LEU 80 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2i9a h LEU 80 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2i9a h LEU 80 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 2i9a n GLN 81 N -2.46 2.24 -2.02 1.13 6.02 -0.94 -4.97 117.38 116.37 2i9a n GLN 81 Ca -0.02 -1.83 -0.09 0.00 -0.01 0.00 0.00 57.00 55.05 2i9a n GLN 81 Cb 0.05 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 29.86 2i9a n GLN 81 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2i9a n GLN 82 N 1.14 0.89 -0.07 -1.09 1.13 0.68 -5.04 117.38 115.03 2i9a n GLN 82 Ca 0.16 -1.42 -0.13 0.00 -1.94 0.00 0.00 57.00 53.67 2i9a n GLN 82 Cb 0.55 -0.05 -0.06 0.00 0.11 0.00 0.00 30.24 30.79 2i9a n GLN 82 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2i9a h THR 83 N 0.16 1.33 -3.47 5.09 2.02 -1.94 -3.43 112.91 112.67 2i9a h THR 83 Ca -0.13 -1.35 -0.66 0.00 0.77 0.00 0.00 66.41 65.05 2i9a h THR 83 Cb 0.56 1.74 -0.26 0.00 -1.74 0.00 0.00 68.15 68.45 2i9a h THR 83 CO 0.19 0.41 -0.69 -0.31 0.37 0.00 0.00 175.52 175.48 2i9a s TYR 84 N -4.35 3.00 0.28 3.16 2.02 -1.26 -5.03 117.35 115.17 2i9a s TYR 84 Ca -0.13 -0.83 -0.20 0.00 -0.37 0.00 0.00 57.07 55.54 2i9a s TYR 84 Cb 0.07 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2i9a s TYR 84 CO 0.78 -0.51 0.69 -3.38 -1.57 0.00 0.00 175.55 171.57 2i9a s HIS 85 N 1.51 -0.12 -0.47 2.71 -3.43 -1.26 -4.83 115.29 109.39 2i9a s HIS 85 Ca 0.06 -0.32 0.23 0.00 -0.80 0.00 0.00 55.06 54.22 2i9a s HIS 85 Cb -0.15 0.65 0.98 0.00 -1.43 0.00 0.00 32.58 32.63 2i9a s HIS 85 CO -0.01 -1.21 1.69 0.00 -2.00 0.00 0.00 174.74 173.20 2i9a n ALA 86 N -0.45 1.58 1.26 -1.38 0.00 -0.35 -2.74 120.51 118.43 2i9a n ALA 86 Ca -0.04 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2i9a n ALA 86 Cb 0.59 -1.37 0.32 0.00 0.00 0.00 0.00 19.45 19.00 2i9a n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2i9a n HIS 87 N -2.21 0.00 -1.74 0.00 8.25 -1.26 -4.82 115.22 113.44 2i9a n HIS 87 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.09 2i9a n HIS 87 Cb 0.20 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.33 2i9a n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2i9a n ARG 88 N 0.32 1.71 0.27 -0.41 1.74 -1.11 -4.91 116.66 114.29 2i9a n ARG 88 Ca 0.15 0.63 0.13 0.00 -0.77 0.00 0.00 57.85 57.99 2i9a n ARG 88 Cb 0.43 -2.57 0.78 0.00 -1.02 0.00 0.00 32.46 30.08 2i9a n ARG 88 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2i9a h SER 89 N 1.47 0.00 -0.55 0.55 4.64 -1.92 -1.79 113.55 115.95 2i9a h SER 89 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2i9a h SER 89 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2i9a h SER 89 CO 0.57 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 2i9a n ASP 90 N -3.85 5.16 -0.17 4.97 5.75 -1.26 -4.64 116.55 122.49 2i9a n ASP 90 Ca -0.02 -2.79 0.05 0.00 -0.01 0.00 0.00 54.79 52.01 2i9a n ASP 90 Cb 0.16 -0.63 0.33 0.00 -1.03 0.00 0.00 41.12 39.96 2i9a n ASP 90 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2i9a h ALA 91 N 3.67 1.64 -0.03 2.12 0.00 -1.61 -1.21 119.26 123.84 2i9a h ALA 91 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i9a h ALA 91 Cb 1.73 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2i9a h ALA 91 CO 0.37 0.28 0.01 1.25 0.00 0.00 0.00 179.25 181.16 2i9a h LEU 92 N 0.81 0.04 -1.77 0.00 5.85 -1.82 0.90 115.31 119.31 2i9a h LEU 92 Ca 0.29 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2i9a h LEU 92 Cb 0.12 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2i9a h LEU 92 CO -0.09 0.22 0.19 1.56 -0.34 0.00 0.00 178.44 179.98 2i9a h GLN 93 N -0.15 0.30 -0.00 1.25 7.50 -1.82 -1.71 115.11 120.48 2i9a h GLN 93 Ca 0.01 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2i9a h GLN 93 Cb 0.19 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.66 2i9a h GLN 93 CO -0.00 0.20 -0.25 1.28 -1.50 0.00 0.00 178.83 178.55 2i9a n LEU 94 N -4.49 0.59 -0.21 1.46 4.77 -0.49 -4.94 117.00 113.68 2i9a n LEU 94 Ca 0.02 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2i9a n LEU 94 Cb 0.13 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2i9a n LEU 94 CO 0.35 0.12 -0.03 0.61 -1.33 0.00 0.00 177.39 177.11 2i9a n GLY 95 N 1.39 0.60 3.53 -0.72 0.00 -0.42 -4.74 105.19 104.82 2i9a n GLY 95 Ca 0.10 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 2i9a n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i9a s LEU 96 N -0.64 4.53 0.00 0.99 1.43 0.18 -5.00 118.68 120.18 2i9a s LEU 96 Ca 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2i9a s LEU 96 Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2i9a s LEU 96 CO 0.00 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2i9a n GLY 97 N 4.98 5.33 3.04 -3.19 0.00 -1.26 -4.40 105.19 109.68 2i9a n GLY 97 Ca -0.08 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 2i9a n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9a n LYS 98 N 0.00 3.46 -3.79 1.61 5.02 -1.26 -3.87 118.16 119.33 2i9a n LYS 98 Ca 0.00 -3.50 -0.04 0.00 -2.02 0.00 0.00 58.31 52.75 2i9a n LYS 98 Cb 0.00 -3.02 -0.01 0.00 -0.02 0.00 0.00 35.03 31.98 2i9a n LYS 98 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2i9a s HIS 99 N 1.16 -0.09 -0.34 2.13 -3.43 -1.26 -5.03 115.29 108.43 2i9a s HIS 99 Ca 0.42 -0.28 0.06 0.00 -0.80 0.00 0.00 55.06 54.46 2i9a s HIS 99 Cb 0.07 0.67 0.45 0.00 -1.43 0.00 0.00 32.58 32.34 2i9a s HIS 99 CO -0.00 -0.95 1.22 0.27 -2.00 0.00 0.00 174.74 173.27 2i9a n ASN 100 N -0.64 5.03 -4.84 7.38 6.94 -1.26 -1.16 115.26 126.71 2i9a n ASN 100 Ca -0.05 -3.75 -0.36 0.00 -0.02 0.00 0.00 54.58 50.40 2i9a n ASN 100 Cb 0.60 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 2i9a n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2i9a s TYR 101 N -3.60 3.63 0.14 -2.53 2.02 -1.26 -4.46 117.35 111.28 2i9a s TYR 101 Ca 0.51 1.02 -0.34 0.00 -0.37 0.00 0.00 57.07 57.89 2i9a s TYR 101 Cb 0.41 -2.33 -0.13 0.00 -0.40 0.00 0.00 41.96 39.51 2i9a s TYR 101 CO -0.01 0.49 1.62 0.00 -1.57 0.00 0.00 175.55 176.08 2i9a n ARG 103 N 3.83 0.55 -2.98 0.00 5.12 -0.36 -4.77 116.66 118.05 2i9a n ARG 103 Ca 0.18 -2.62 -0.14 0.00 -1.93 0.00 0.00 57.85 53.33 2i9a n ARG 103 Cb 0.29 1.65 0.02 0.00 -1.16 0.00 0.00 32.46 33.26 2i9a n ARG 103 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2i9a n ASN 104 N -1.76 -0.72 0.23 0.55 5.15 -1.26 -0.10 115.26 117.34 2i9a n ASN 104 Ca -0.01 -3.26 0.15 0.00 -0.60 0.00 0.00 54.58 50.86 2i9a n ASN 104 Cb 0.47 0.53 0.55 0.00 -0.53 0.00 0.00 39.78 40.79 2i9a n ASN 104 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2i9a h PRO 105 N 3.18 0.00 -0.45 1.20 0.13 -1.87 -2.72 132.00 131.47 2i9a h PRO 105 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2i9a h PRO 105 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2i9a h PRO 105 CO 0.35 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.72 2i9a n ASP 106 N -2.90 3.79 -3.40 1.44 5.75 -1.26 -4.99 116.55 114.98 2i9a n ASP 106 Ca 0.02 -2.36 -0.21 0.00 -0.01 0.00 0.00 54.79 52.23 2i9a n ASP 106 Cb 0.34 -0.43 0.08 0.00 -1.03 0.00 0.00 41.12 40.08 2i9a n ASP 106 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2i9a n ASN 107 N 0.57 -4.99 -3.92 -1.12 5.15 -1.03 -5.01 115.26 104.91 2i9a n ASN 107 Ca 0.19 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.34 2i9a n ASN 107 Cb 0.69 -4.83 0.24 0.00 -0.53 0.00 0.00 39.78 35.35 2i9a n ASN 107 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2i9a s ARG 108 N -5.97 -1.28 0.53 1.20 0.52 -1.26 -4.95 118.95 107.74 2i9a s ARG 108 Ca 0.40 0.10 0.31 0.00 -0.52 0.00 0.00 55.73 56.02 2i9a s ARG 108 Cb -0.18 -1.57 1.36 0.00 0.52 0.00 0.00 34.95 35.08 2i9a s ARG 108 CO 0.69 -3.78 1.99 0.07 0.02 0.00 0.00 175.30 174.29 2i9a h ARG 109 N -2.64 0.00 -3.12 3.54 0.11 -1.95 -3.46 114.38 106.87 2i9a h ARG 109 Ca -0.47 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2i9a h ARG 109 Cb 1.31 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.27 2i9a h ARG 109 CO 0.38 0.07 0.13 -0.98 0.10 0.00 0.00 179.97 179.67 2i9a s ARG 110 N -3.77 1.27 0.68 0.08 1.70 -1.22 -4.35 118.95 113.33 2i9a s ARG 110 Ca -0.00 -0.58 -0.17 0.00 -0.47 0.00 0.00 55.73 54.51 2i9a s ARG 110 Cb 0.10 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.00 2i9a s ARG 110 CO 0.56 -0.54 0.64 -2.30 -1.08 0.00 0.00 175.30 172.58 2i9a n PRO 111 N -0.34 0.44 -3.97 3.89 -0.02 -1.24 -4.86 135.00 128.90 2i9a n PRO 111 Ca -0.16 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 2i9a n PRO 111 Cb 0.64 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2i9a n PRO 111 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2i9a s TRP 112 N -1.81 0.41 0.22 6.00 1.48 0.85 -1.36 118.94 124.74 2i9a s TRP 112 Ca 0.69 -0.81 -0.18 0.00 -1.06 0.00 0.00 56.10 54.74 2i9a s TRP 112 Cb -0.38 0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.26 2i9a s TRP 112 CO 0.55 -1.15 0.56 0.00 -4.06 0.00 0.00 176.95 172.84 2i9a s TYR 114 N -3.90 3.79 -0.00 0.00 2.02 -1.26 -0.95 117.35 117.04 2i9a s TYR 114 Ca 0.11 1.77 0.06 0.00 -0.37 0.00 0.00 57.07 58.65 2i9a s TYR 114 Cb -0.02 -3.11 -0.02 0.00 -0.40 0.00 0.00 41.96 38.41 2i9a s TYR 114 CO 0.01 -0.01 -0.19 0.08 -1.57 0.00 0.00 175.55 173.87 2i9a s VAL 115 N -0.55 1.46 -0.38 0.71 1.01 0.23 -0.23 120.40 122.65 2i9a s VAL 115 Ca 0.45 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2i9a s VAL 115 Cb -0.27 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2i9a s VAL 115 CO 0.33 0.37 1.34 -1.58 0.00 0.00 0.00 175.10 175.56 2i9a s GLN 116 N -0.55 3.71 -0.33 2.72 2.00 -1.26 -0.56 119.66 125.39 2i9a s GLN 116 Ca 0.07 1.00 0.03 0.00 -2.00 0.00 0.00 55.36 54.46 2i9a s GLN 116 Cb -0.07 -3.96 0.09 0.00 0.80 0.00 0.00 33.01 29.87 2i9a s GLN 116 CO -0.00 -1.39 0.03 0.08 -0.50 0.00 0.00 175.29 173.51 2i9a s VAL 117 N 4.95 2.32 0.00 1.34 1.01 -0.34 -4.98 120.40 124.69 2i9a s VAL 117 Ca 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 60.33 2i9a s VAL 117 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2i9a s VAL 117 CO 0.29 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2i9a n GLY 118 N 4.29 2.12 0.14 4.51 0.00 -1.26 -2.41 105.19 112.58 2i9a n GLY 118 Ca 0.01 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 2i9a n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i9a h LEU 119 N 0.00 0.40 -8.98 0.99 4.07 -2.00 -3.47 115.31 106.32 2i9a h LEU 119 Ca 0.00 -0.34 -0.68 0.00 0.08 0.00 0.00 57.88 56.94 2i9a h LEU 119 Cb 0.00 -0.12 -0.20 0.00 1.08 0.00 0.00 40.66 41.41 2i9a h LEU 119 CO 0.00 1.15 -0.84 -1.59 -1.08 0.00 0.00 178.44 176.08 2i9a s LYS 120 N -3.15 1.51 0.05 1.13 -2.85 -1.01 -5.10 119.74 110.31 2i9a s LYS 120 Ca -0.04 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.26 2i9a s LYS 120 Cb 0.09 -1.93 -0.05 0.00 -2.06 0.00 0.00 37.83 33.89 2i9a s LYS 120 CO 0.85 0.44 1.05 -1.25 0.10 0.00 0.00 175.35 176.55 2i9a s PRO 121 N -2.25 4.55 0.02 1.78 0.04 -1.26 -1.20 135.00 136.68 2i9a s PRO 121 Ca 0.17 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.83 2i9a s PRO 121 Cb -0.10 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2i9a s PRO 121 CO 0.08 -0.06 -0.22 -0.51 0.04 0.00 0.00 177.00 176.33 2i9a s LEU 122 N 0.73 2.11 -0.03 -3.56 1.43 0.28 -4.86 118.68 114.78 2i9a s LEU 122 Ca 0.53 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 2i9a s LEU 122 Cb -0.25 -1.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 2i9a s LEU 122 CO 0.29 0.22 1.63 -0.69 0.23 0.00 0.00 176.35 178.03 2i9a s VAL 123 N -0.67 3.50 0.00 -1.59 1.01 -1.26 -0.60 120.40 120.79 2i9a s VAL 123 Ca 0.08 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2i9a s VAL 123 Cb -0.09 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2i9a s VAL 123 CO 0.01 -0.05 -0.12 -1.10 0.00 0.00 0.00 175.10 173.84 2i9a s GLN 124 N 3.63 0.92 0.52 2.72 -1.52 -0.12 -4.95 119.66 120.85 2i9a s GLN 124 Ca 0.72 -0.50 -0.20 0.00 -1.95 0.00 0.00 55.36 53.44 2i9a s GLN 124 Cb -0.34 -0.89 -0.07 0.00 -0.22 0.00 0.00 33.01 31.50 2i9a s GLN 124 CO 0.30 0.24 1.11 -1.21 -0.25 0.00 0.00 175.29 175.48 2i9a s GLU 125 N -0.50 3.50 0.29 2.91 2.02 -1.26 -1.53 118.70 124.12 2i9a s GLU 125 Ca 0.03 1.58 -0.12 0.00 0.02 0.00 0.00 54.97 56.48 2i9a s GLU 125 Cb -0.05 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 2i9a s GLU 125 CO -0.00 -0.72 0.65 0.00 0.02 0.00 0.00 175.26 175.21 2i9a h MET 127 N 2.30 0.14 -5.56 0.00 4.05 -1.03 -3.40 114.93 111.43 2i9a h MET 127 Ca -0.47 -0.03 -0.62 0.00 -0.28 0.00 0.00 59.70 58.30 2i9a h MET 127 Cb 1.17 -0.02 0.10 0.00 -0.80 0.00 0.00 31.60 32.05 2i9a h MET 127 CO 0.67 0.25 -0.50 0.28 0.23 0.00 0.00 176.91 177.84 2i9a n VAL 128 N -4.35 1.82 -3.91 -5.77 0.31 -1.26 -4.96 118.33 100.20 2i9a n VAL 128 Ca -0.01 -0.46 -0.23 0.00 -0.01 0.00 0.00 64.34 63.62 2i9a n VAL 128 Cb 0.22 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.12 2i9a n VAL 128 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2i9a s HIS 129 N -0.94 3.47 0.11 3.52 0.09 -1.26 -4.90 115.29 115.37 2i9a s HIS 129 Ca 0.59 0.07 -0.31 0.00 -0.00 0.00 0.00 55.06 55.41 2i9a s HIS 129 Cb -0.85 -1.64 -0.07 0.00 -0.00 0.00 0.00 32.58 30.02 2i9a s HIS 129 CO 0.52 0.45 1.29 0.34 -0.00 0.00 0.00 174.74 177.34 2i9a s ASP 130 N -3.69 6.96 0.63 1.40 3.68 -1.26 -1.41 116.67 122.98 2i9a s ASP 130 Ca 0.35 2.20 0.29 0.00 2.13 0.00 0.00 52.55 57.52 2i9a s ASP 130 Cb -0.10 -2.59 1.57 0.00 -1.45 0.00 0.00 42.92 40.36 2i9a s ASP 130 CO 0.29 -0.54 1.88 0.00 0.13 0.00 0.00 175.17 176.93