#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9b n ASP 12 N 0.00 -5.25 -4.53 0.00 2.03 -1.26 -4.93 116.55 102.61 2i9b n ASP 12 Ca 0.00 -1.01 -0.42 0.00 0.52 0.00 0.00 54.79 53.88 2i9b n ASP 12 Cb 0.00 -3.07 -0.07 0.00 -0.72 0.00 0.00 41.12 37.26 2i9b n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i9b s LEU 14 N 2.60 1.66 -1.50 0.00 1.43 0.15 -4.26 118.68 118.76 2i9b s LEU 14 Ca 0.20 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 2i9b s LEU 14 Cb -0.15 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.49 2i9b s LEU 14 CO 0.16 -3.27 0.59 0.59 0.23 0.00 0.00 176.35 174.65 2i9b n ASN 15 N -4.19 -1.63 0.00 2.29 5.03 -1.26 -1.94 115.26 113.56 2i9b n ASN 15 Ca 0.12 -0.98 0.00 0.00 0.87 0.00 0.00 54.58 54.59 2i9b n ASN 15 Cb 0.59 -3.08 0.00 0.00 -1.02 0.00 0.00 39.78 36.28 2i9b n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2i9b n GLY 16 N -1.78 2.56 3.51 7.41 0.00 -1.26 -4.74 105.19 110.89 2i9b n GLY 16 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2i9b n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9b n GLY 17 N -1.08 -1.02 3.47 -0.02 0.00 -0.82 -4.94 105.19 100.78 2i9b n GLY 17 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2i9b n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i9b s THR 18 N -1.39 2.20 -0.30 2.61 -4.23 -0.92 -4.59 115.64 109.03 2i9b s THR 18 Ca 0.64 -2.28 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2i9b s THR 18 Cb -0.59 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2i9b s THR 18 CO 0.57 -0.35 0.50 0.00 -0.54 0.00 0.00 174.62 174.80 2i9b s VAL 20 N 2.32 5.01 0.29 0.00 1.01 -0.85 -4.96 120.40 123.22 2i9b s VAL 20 Ca 0.20 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2i9b s VAL 20 Cb -0.16 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2i9b s VAL 20 CO 0.11 -0.32 0.53 -0.94 0.00 0.00 0.00 175.10 174.47 2i9b s SER 21 N -4.02 0.12 -0.20 3.32 1.04 -1.26 -2.41 113.70 110.28 2i9b s SER 21 Ca 0.37 -1.05 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 2i9b s SER 21 Cb -0.09 0.64 0.10 0.00 0.10 0.00 0.00 66.02 66.77 2i9b s SER 21 CO 0.30 -1.25 0.29 0.21 0.98 0.00 0.00 173.24 173.77 2i9b s ASN 22 N -3.06 0.72 0.31 7.02 3.84 -1.25 -5.03 114.94 117.49 2i9b s ASN 22 Ca 0.23 0.16 0.06 0.00 0.21 0.00 0.00 52.86 53.52 2i9b s ASN 22 Cb -0.01 0.73 0.86 0.00 -0.55 0.00 0.00 41.25 42.28 2i9b s ASN 22 CO 0.12 -0.29 1.62 0.07 -2.79 0.00 0.00 177.10 175.82 2i9b h LYS 23 N 8.26 0.14 -0.37 0.43 2.10 -1.98 0.18 116.57 125.33 2i9b h LYS 23 Ca -0.17 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.32 2i9b h LYS 23 Cb 1.14 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2i9b h LYS 23 CO 0.24 0.09 -0.36 1.88 -2.00 0.00 0.00 179.45 179.30 2i9b h TYR 24 N 0.14 1.07 -0.48 0.07 0.05 -2.02 -3.36 116.97 112.45 2i9b h TYR 24 Ca 0.63 -0.32 -0.70 0.00 0.05 0.00 0.00 58.73 58.39 2i9b h TYR 24 Cb 1.38 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 2i9b h TYR 24 CO -0.25 1.14 3.20 1.19 -1.05 0.00 0.00 178.16 182.38 2i9b n PHE 25 N -4.10 2.61 -1.00 4.88 3.01 0.62 -4.72 117.46 118.76 2i9b n PHE 25 Ca -0.02 -2.98 -0.05 0.00 1.01 0.00 0.00 57.45 55.41 2i9b n PHE 25 Cb 0.53 -2.24 -0.02 0.00 -0.01 0.00 0.00 39.48 37.73 2i9b n PHE 25 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2i9b n SER 26 N 3.19 -1.52 -0.35 4.37 2.88 -1.26 -2.00 113.62 118.93 2i9b n SER 26 Ca 0.69 0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 58.31 2i9b n SER 26 Cb 0.26 -1.62 -0.00 0.00 -0.75 0.00 0.00 64.21 62.10 2i9b n SER 26 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2i9b n ASN 27 N 0.64 -1.96 -4.84 -3.46 2.85 -1.23 -5.03 115.26 102.24 2i9b n ASN 27 Ca -0.05 0.01 -0.31 0.00 -0.11 0.00 0.00 54.58 54.12 2i9b n ASN 27 Cb 0.18 -1.18 0.05 0.00 1.24 0.00 0.00 39.78 40.07 2i9b n ASN 27 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2i9b s ILE 28 N -2.16 3.97 0.04 -1.44 2.07 -0.85 -4.87 121.20 117.97 2i9b s ILE 28 Ca 0.00 0.64 0.05 0.00 -1.41 0.00 0.00 60.65 59.93 2i9b s ILE 28 Cb 0.00 -3.47 -0.02 0.00 0.13 0.00 0.00 42.46 39.10 2i9b s ILE 28 CO 0.00 -0.83 -0.15 -1.00 -1.91 0.00 0.00 174.94 171.05 2i9b s HIS 29 N -3.13 1.27 0.02 3.50 3.76 -1.26 -3.79 115.29 115.66 2i9b s HIS 29 Ca 0.58 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 2i9b s HIS 29 Cb -0.13 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.81 2i9b s HIS 29 CO 0.54 0.04 0.04 -2.67 -0.85 0.00 0.00 174.74 171.84 2i9b n TRP 30 N 1.81 -0.86 -4.83 1.40 2.14 -1.01 -5.03 117.44 111.06 2i9b n TRP 30 Ca -0.18 -0.11 -0.28 0.00 2.07 0.00 0.00 57.50 59.00 2i9b n TRP 30 Cb 0.54 0.04 -0.15 0.00 -0.81 0.00 0.00 31.31 30.94 2i9b n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2i9b s ASN 32 N -1.08 5.95 0.09 0.00 0.02 0.18 -4.92 114.94 115.18 2i9b s ASN 32 Ca 0.09 -2.00 -0.26 0.00 -1.02 0.00 0.00 52.86 49.67 2i9b s ASN 32 Cb -0.09 -2.09 -0.06 0.00 0.02 0.00 0.00 41.25 39.03 2i9b s ASN 32 CO 0.01 -0.72 0.82 0.00 0.02 0.00 0.00 177.10 177.23 2i9b n PRO 34 N 2.55 1.43 -0.21 0.00 -0.04 -1.26 -4.77 135.00 132.69 2i9b n PRO 34 Ca -0.02 0.53 0.21 0.00 -0.04 0.00 0.00 63.50 64.19 2i9b n PRO 34 Cb 0.50 -2.45 0.39 0.00 -0.04 0.00 0.00 33.50 31.90 2i9b n PRO 34 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2i9b n LYS 35 N -1.05 -0.04 0.18 0.54 0.00 -1.26 0.17 118.16 116.70 2i9b n LYS 35 Ca 0.12 0.92 0.02 0.00 0.00 0.00 0.00 58.31 59.37 2i9b n LYS 35 Cb 0.45 -1.65 0.34 0.00 0.00 0.00 0.00 35.03 34.17 2i9b n LYS 35 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2i9b h LYS 36 N 0.00 0.00 -6.22 1.64 1.79 -1.87 -3.46 116.57 108.44 2i9b h LYS 36 Ca 0.56 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.48 2i9b h LYS 36 Cb 1.49 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 32.06 2i9b h LYS 36 CO -0.51 0.41 -0.62 -0.06 -1.08 0.00 0.00 179.45 177.59 2i9b s PHE 37 N -4.05 2.83 0.36 -1.35 0.40 0.13 -2.52 117.98 113.77 2i9b s PHE 37 Ca -0.02 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2i9b s PHE 37 Cb 0.14 -1.28 0.00 0.00 0.51 0.00 0.00 43.02 42.39 2i9b s PHE 37 CO 0.72 0.58 0.47 0.20 0.70 0.00 0.00 175.22 177.89 2i9b s GLY 38 N -3.61 1.66 0.00 4.36 0.00 0.09 -4.51 107.32 105.32 2i9b s GLY 38 Ca 0.31 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2i9b s GLY 38 CO 0.21 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.86 2i9b n GLY 39 N -0.60 1.37 0.35 0.20 0.00 -1.26 -0.42 105.19 104.83 2i9b n GLY 39 Ca 0.02 -1.87 0.16 0.00 0.00 0.00 0.00 46.02 44.33 2i9b n GLY 39 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2i9b h GLN 40 N 0.00 0.00 0.00 1.61 4.15 -1.98 -1.44 115.11 117.45 2i9b h GLN 40 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2i9b h GLN 40 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2i9b h GLN 40 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 2i9b n HIS 41 N -3.13 0.00 -1.13 3.99 8.25 -1.26 -4.50 115.22 117.44 2i9b n HIS 41 Ca 0.01 -0.30 -0.04 0.00 -0.26 0.00 0.00 57.72 57.13 2i9b n HIS 41 Cb 0.48 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 2i9b n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i9b n GLU 43 N -2.41 1.14 -3.99 0.00 -0.00 -0.89 -4.23 120.64 110.27 2i9b n GLU 43 Ca -0.04 -0.16 -0.34 0.00 -0.00 0.00 0.00 57.16 56.62 2i9b n GLU 43 Cb 0.20 -1.23 -0.14 0.00 -0.00 0.00 0.00 31.44 30.26 2i9b n GLU 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2i9b s ILE 44 N -1.61 2.62 -1.17 3.84 -1.09 0.44 -4.87 121.20 119.36 2i9b s ILE 44 Ca 0.03 -1.42 -0.23 0.00 -2.23 0.00 0.00 60.65 56.79 2i9b s ILE 44 Cb 0.02 -2.48 -0.11 0.00 -1.58 0.00 0.00 42.46 38.30 2i9b s ILE 44 CO 0.01 -0.01 1.96 -0.67 -1.23 0.00 0.00 174.94 175.00 2i9b n ASP 45 N 4.55 2.81 -2.96 3.58 -0.08 0.11 -0.73 116.55 123.84 2i9b n ASP 45 Ca -0.14 -2.67 -0.18 0.00 -1.51 0.00 0.00 54.79 50.29 2i9b n ASP 45 Cb 0.44 -1.73 -0.03 0.00 2.34 0.00 0.00 41.12 42.13 2i9b n ASP 45 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2i9b n LYS 46 N 8.23 1.84 0.20 -0.67 4.81 -1.05 -3.51 118.16 128.02 2i9b n LYS 46 Ca 0.44 -1.24 0.00 0.00 -0.87 0.00 0.00 58.31 56.64 2i9b n LYS 46 Cb 0.46 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.22 2i9b n LYS 46 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2i9b n SER 47 N 3.88 -3.68 -4.51 3.14 2.88 -1.25 -4.62 113.62 109.47 2i9b n SER 47 Ca 0.39 0.87 -0.34 0.00 -1.33 0.00 0.00 58.87 58.46 2i9b n SER 47 Cb 0.21 3.48 0.10 0.00 -0.75 0.00 0.00 64.21 67.25 2i9b n SER 47 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2i9b n LYS 48 N -3.40 0.10 0.00 -1.46 4.81 -1.23 -4.98 118.16 112.00 2i9b n LYS 48 Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2i9b n LYS 48 Cb 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.05 2i9b n LYS 48 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2i9b n THR 49 N -2.98 0.26 -3.59 3.15 -2.24 -1.26 -4.74 114.28 102.87 2i9b n THR 49 Ca 0.10 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 2i9b n THR 49 Cb 0.51 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2i9b n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i9b s TYR 51 N -4.95 0.19 -0.03 0.00 -0.85 -0.98 -4.92 117.35 105.82 2i9b s TYR 51 Ca 0.02 -0.43 -0.02 0.00 -0.52 0.00 0.00 57.07 56.11 2i9b s TYR 51 Cb -0.00 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 2i9b s TYR 51 CO 0.01 -0.27 0.12 -1.21 -1.52 0.00 0.00 175.55 172.68 2i9b s GLU 52 N -1.84 3.22 5.37 -3.49 0.41 -1.26 -1.74 118.70 119.37 2i9b s GLU 52 Ca -0.12 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 2i9b s GLU 52 Cb -0.06 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 2i9b s GLU 52 CO -0.01 0.68 0.00 0.41 -0.49 0.00 0.00 175.26 175.84 2i9b n GLY 53 N 1.27 3.45 0.05 -1.39 0.00 -1.26 -1.09 105.19 106.22 2i9b n GLY 53 Ca -0.14 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2i9b n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i9b n ASN 54 N 5.10 0.65 -0.58 1.61 2.04 -1.26 -4.91 115.26 117.90 2i9b n ASN 54 Ca 0.00 -0.06 -0.03 0.00 -0.44 0.00 0.00 54.58 54.06 2i9b n ASN 54 Cb 0.00 0.49 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 2i9b n ASN 54 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2i9b n GLY 55 N 1.36 0.51 0.00 4.83 0.00 -0.25 -3.74 105.19 107.90 2i9b n GLY 55 Ca 0.03 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.47 2i9b n GLY 55 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2i9b n HIS 56 N -3.42 0.00 0.01 1.61 1.44 -1.26 -1.71 115.22 111.88 2i9b n HIS 56 Ca -0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.74 2i9b n HIS 56 Cb 0.52 -0.45 -0.11 0.00 0.12 0.00 0.00 29.99 30.06 2i9b n HIS 56 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2i9b n PHE 57 N -1.45 0.46 -1.47 -1.40 3.72 -1.26 -4.81 117.46 111.24 2i9b n PHE 57 Ca 0.06 0.14 -0.49 0.00 -0.05 0.00 0.00 57.45 57.11 2i9b n PHE 57 Cb 0.21 -0.84 -0.07 0.00 -0.94 0.00 0.00 39.48 37.85 2i9b n PHE 57 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2i9b n TYR 58 N -2.59 1.62 -2.72 1.38 9.36 -0.70 -4.88 117.16 118.63 2i9b n TYR 58 Ca -0.10 0.22 -0.26 0.00 3.32 0.00 0.00 57.90 61.08 2i9b n TYR 58 Cb 0.74 -2.56 -0.02 0.00 -0.63 0.00 0.00 39.34 36.87 2i9b n TYR 58 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2i9b n ARG 59 N 8.32 3.14 -4.13 2.98 3.00 -1.26 -4.77 116.66 123.95 2i9b n ARG 59 Ca 0.40 -4.56 -0.27 0.00 -0.01 0.00 0.00 57.85 53.41 2i9b n ARG 59 Cb 0.27 -2.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.50 2i9b n ARG 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2i9b s GLY 60 N -3.45 2.47 -0.09 -0.13 0.00 -1.26 0.07 107.32 104.93 2i9b s GLY 60 Ca 0.47 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.74 2i9b s GLY 60 CO -0.15 -1.97 1.06 0.28 0.00 0.00 0.00 173.10 172.32 2i9b n LYS 61 N -1.45 1.58 -2.65 2.90 5.02 -1.26 -4.36 118.16 117.94 2i9b n LYS 61 Ca -0.04 -0.76 -0.39 0.00 -2.02 0.00 0.00 58.31 55.09 2i9b n LYS 61 Cb 0.65 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 2i9b n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9b s ALA 62 N -1.07 3.32 0.00 7.82 0.00 -1.26 -4.93 121.76 125.64 2i9b s ALA 62 Ca 0.14 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2i9b s ALA 62 Cb 0.11 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2i9b s ALA 62 CO 0.03 0.06 0.72 -1.13 0.00 0.00 0.00 175.76 175.44 2i9b n SER 63 N 1.15 0.00 -4.45 0.00 3.41 -1.26 -0.81 113.62 111.66 2i9b n SER 63 Ca -0.01 -1.52 -0.30 0.00 -0.26 0.00 0.00 58.87 56.79 2i9b n SER 63 Cb 0.47 -0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 2i9b n SER 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2i9b s THR 64 N 0.00 2.67 0.30 6.66 -1.32 -1.26 -1.27 115.64 121.42 2i9b s THR 64 Ca 0.00 -1.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.10 2i9b s THR 64 Cb 0.00 -2.16 0.05 0.00 -1.51 0.00 0.00 72.50 68.88 2i9b s THR 64 CO 0.00 0.22 0.42 -0.90 -2.21 0.00 0.00 174.62 172.14 2i9b n ASP 65 N 1.21 0.86 -1.68 8.08 3.85 -1.14 -0.18 116.55 127.55 2i9b n ASP 65 Ca -0.16 -1.65 -0.00 0.00 -0.71 0.00 0.00 54.79 52.26 2i9b n ASP 65 Cb 0.52 -0.24 -0.00 0.00 -1.35 0.00 0.00 41.12 40.05 2i9b n ASP 65 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2i9b n THR 66 N -1.78 1.32 0.00 2.12 -2.24 -1.20 -0.14 114.28 112.36 2i9b n THR 66 Ca 0.08 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2i9b n THR 66 Cb 0.28 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2i9b n THR 66 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2i9b n MET 67 N 1.68 2.20 -0.79 -0.78 2.81 -1.26 -5.02 117.12 115.96 2i9b n MET 67 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2i9b n MET 67 Cb 0.33 -0.22 0.00 0.00 -0.71 0.00 0.00 33.22 32.62 2i9b n MET 67 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i9b n GLY 68 N -0.01 0.95 3.59 3.03 0.00 0.80 -5.06 105.19 108.49 2i9b n GLY 68 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2i9b n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i9b s ARG 69 N -1.84 3.82 0.49 1.61 0.52 -1.26 -4.72 118.95 117.56 2i9b s ARG 69 Ca 0.00 0.15 -0.23 0.00 -0.52 0.00 0.00 55.73 55.13 2i9b s ARG 69 Cb 0.00 -3.75 -0.08 0.00 0.52 0.00 0.00 34.95 31.64 2i9b s ARG 69 CO 0.00 -0.59 1.13 -0.35 0.02 0.00 0.00 175.30 175.51 2i9b n PRO 70 N 5.83 1.45 -2.00 3.54 -0.04 -1.26 -2.87 135.00 139.66 2i9b n PRO 70 Ca -0.02 0.53 -0.29 0.00 -0.04 0.00 0.00 63.50 63.68 2i9b n PRO 70 Cb 0.49 -2.26 0.06 0.00 -0.04 0.00 0.00 33.50 31.75 2i9b n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i9b s LEU 72 N -5.37 4.44 0.32 0.00 1.43 -0.64 -4.84 118.68 114.01 2i9b s LEU 72 Ca 0.59 1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 54.70 2i9b s LEU 72 Cb -0.11 -3.07 -0.12 0.00 0.03 0.00 0.00 46.19 42.92 2i9b s LEU 72 CO 0.49 0.07 1.38 -2.65 0.23 0.00 0.00 176.35 175.87 2i9b n PRO 73 N 2.73 2.26 0.08 1.29 -0.02 -1.26 -4.61 135.00 135.48 2i9b n PRO 73 Ca -0.05 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.30 2i9b n PRO 73 Cb 0.51 -2.44 0.34 0.00 -0.02 0.00 0.00 33.50 31.88 2i9b n PRO 73 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2i9b n TRP 74 N 0.92 0.39 0.70 6.00 7.02 0.87 -1.67 117.44 131.67 2i9b n TRP 74 Ca 0.06 0.18 0.08 0.00 -1.02 0.00 0.00 57.50 56.80 2i9b n TRP 74 Cb 0.36 -0.79 -0.01 0.00 -2.42 0.00 0.00 31.31 28.44 2i9b n TRP 74 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2i9b n ASN 75 N -1.88 1.51 -4.75 -0.99 0.23 -1.26 0.77 115.26 108.89 2i9b n ASN 75 Ca 0.01 -1.25 -0.37 0.00 -0.53 0.00 0.00 54.58 52.43 2i9b n ASN 75 Cb 0.09 0.53 0.04 0.00 -2.08 0.00 0.00 39.78 38.35 2i9b n ASN 75 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2i9b s SER 76 N -1.93 5.22 0.27 0.53 1.04 -0.67 -4.78 113.70 113.38 2i9b s SER 76 Ca 0.12 2.51 -0.02 0.00 0.48 0.00 0.00 55.95 59.04 2i9b s SER 76 Cb 0.13 -2.61 0.57 0.00 0.10 0.00 0.00 66.02 64.21 2i9b s SER 76 CO 0.42 -1.58 1.43 0.00 0.98 0.00 0.00 173.24 174.49 2i9b n ALA 77 N -1.37 0.35 0.08 5.32 0.00 -1.26 -1.51 120.51 122.12 2i9b n ALA 77 Ca 0.12 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.43 2i9b n ALA 77 Cb 0.48 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 2i9b n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2i9b h THR 78 N 0.00 1.44 -0.55 0.00 2.02 -1.94 -3.07 112.91 110.81 2i9b h THR 78 Ca 0.50 -2.62 -0.03 0.00 0.77 0.00 0.00 66.41 65.03 2i9b h THR 78 Cb 0.93 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 2i9b h THR 78 CO -0.90 0.78 0.23 0.58 0.37 0.00 0.00 175.52 176.58 2i9b h VAL 79 N 0.17 1.19 0.00 3.16 2.07 -1.55 0.36 116.25 121.65 2i9b h VAL 79 Ca -0.09 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2i9b h VAL 79 Cb 1.66 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2i9b h VAL 79 CO 0.17 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.17 2i9b n LEU 80 N -4.35 0.00 -0.05 2.57 4.77 -0.80 -0.50 117.00 118.64 2i9b n LEU 80 Ca 0.05 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 2i9b n LEU 80 Cb 0.15 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2i9b n LEU 80 CO 0.38 -0.13 0.01 0.00 -1.33 0.00 0.00 177.39 176.32 2i9b n GLN 81 N -1.17 2.04 -2.65 3.23 1.13 0.11 -4.96 117.38 115.11 2i9b n GLN 81 Ca 0.05 -0.12 -0.21 0.00 -1.94 0.00 0.00 57.00 54.77 2i9b n GLN 81 Cb 0.05 -1.21 0.05 0.00 0.11 0.00 0.00 30.24 29.24 2i9b n GLN 81 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2i9b s GLN 82 N -2.32 2.38 0.24 -1.09 -1.52 0.35 -5.02 119.66 112.68 2i9b s GLN 82 Ca 0.07 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2i9b s GLN 82 Cb 0.11 -2.47 0.28 0.00 -0.22 0.00 0.00 33.01 30.71 2i9b s GLN 82 CO 0.58 -0.85 1.63 1.79 -0.25 0.00 0.00 175.29 178.19 2i9b h THR 83 N -0.03 1.29 -3.63 -0.19 1.35 -1.93 -3.41 112.91 106.36 2i9b h THR 83 Ca -0.41 -1.49 -0.68 0.00 -0.55 0.00 0.00 66.41 63.29 2i9b h THR 83 Cb 1.29 1.50 -0.24 0.00 -1.73 0.00 0.00 68.15 68.98 2i9b h THR 83 CO 0.49 0.47 -0.58 -0.31 -0.25 0.00 0.00 175.52 175.34 2i9b s TYR 84 N -4.31 3.17 0.11 4.73 2.02 -1.26 -5.00 117.35 116.80 2i9b s TYR 84 Ca -0.07 -0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 2i9b s TYR 84 Cb 0.13 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 2i9b s TYR 84 CO 0.81 -0.51 0.10 -3.38 -1.57 0.00 0.00 175.55 171.01 2i9b s HIS 85 N 1.57 0.59 -1.44 2.71 -3.43 -1.26 -4.80 115.29 109.22 2i9b s HIS 85 Ca 0.04 -1.01 0.16 0.00 -0.80 0.00 0.00 55.06 53.45 2i9b s HIS 85 Cb -0.17 -0.32 0.83 0.00 -1.43 0.00 0.00 32.58 31.49 2i9b s HIS 85 CO 0.05 -0.53 1.47 0.00 -2.00 0.00 0.00 174.74 173.73 2i9b n ALA 86 N -0.06 1.91 1.11 -1.38 0.00 0.23 -2.45 120.51 119.86 2i9b n ALA 86 Ca -0.09 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.39 2i9b n ALA 86 Cb 0.63 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 19.02 2i9b n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2i9b n HIS 87 N -1.28 0.00 -1.67 0.00 8.25 -1.26 -4.82 115.22 114.44 2i9b n HIS 87 Ca 0.08 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.09 2i9b n HIS 87 Cb 0.13 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 2i9b n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2i9b n ARG 88 N -0.83 2.05 -0.33 -0.41 1.74 -1.02 -4.85 116.66 113.00 2i9b n ARG 88 Ca 0.09 0.73 0.33 0.00 -0.77 0.00 0.00 57.85 58.23 2i9b n ARG 88 Cb 0.37 -2.38 0.69 0.00 -1.02 0.00 0.00 32.46 30.12 2i9b n ARG 88 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2i9b h SER 89 N 4.02 0.12 -0.02 0.55 0.87 -1.92 0.04 113.55 117.21 2i9b h SER 89 Ca -0.45 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2i9b h SER 89 Cb 1.28 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2i9b h SER 89 CO 0.74 0.01 -0.22 -0.90 -0.53 0.00 0.00 176.83 175.93 2i9b n ASP 90 N -4.30 2.12 -0.47 6.23 3.85 -1.26 -4.74 116.55 117.97 2i9b n ASP 90 Ca 0.26 -1.56 0.37 0.00 -0.71 0.00 0.00 54.79 53.16 2i9b n ASP 90 Cb 1.18 0.28 0.59 0.00 -1.35 0.00 0.00 41.12 41.82 2i9b n ASP 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2i9b n ALA 91 N 0.40 1.30 -0.04 2.12 0.00 -0.00 -0.35 120.51 123.93 2i9b n ALA 91 Ca 0.09 0.60 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 2i9b n ALA 91 Cb 0.42 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 2i9b n ALA 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2i9b h LEU 92 N 0.00 0.49 -0.95 0.00 5.85 -1.82 0.76 115.31 119.65 2i9b h LEU 92 Ca 0.72 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2i9b h LEU 92 Cb 2.63 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 43.51 2i9b h LEU 92 CO -0.18 0.99 0.00 0.06 -0.34 0.00 0.00 178.44 178.97 2i9b h GLN 93 N 0.02 0.00 -0.28 1.25 3.07 -1.06 -1.19 115.11 116.92 2i9b h GLN 93 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2i9b h GLN 93 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 2i9b h GLN 93 CO 0.07 0.00 0.00 1.28 0.09 0.00 0.00 178.83 180.27 2i9b n LEU 94 N -2.93 2.28 -2.20 0.06 4.77 -1.07 -4.94 117.00 112.97 2i9b n LEU 94 Ca 0.02 -1.00 -0.20 0.00 -0.03 0.00 0.00 56.01 54.79 2i9b n LEU 94 Cb 0.35 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2i9b n LEU 94 CO 0.28 0.50 -0.24 0.61 -1.33 0.00 0.00 177.39 177.21 2i9b n GLY 95 N 1.24 0.09 3.87 -0.72 0.00 -0.45 -4.76 105.19 104.45 2i9b n GLY 95 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2i9b n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i9b s LEU 96 N -5.66 4.29 0.00 0.99 1.43 0.26 -4.98 118.68 115.01 2i9b s LEU 96 Ca 0.00 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2i9b s LEU 96 Cb 0.00 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.94 2i9b s LEU 96 CO 0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2i9b n GLY 97 N 0.52 0.84 3.38 -3.19 0.00 -1.26 -4.17 105.19 101.30 2i9b n GLY 97 Ca -0.04 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 2i9b n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9b n LYS 98 N 0.00 1.59 -3.44 1.61 5.02 -1.26 -3.86 118.16 117.82 2i9b n LYS 98 Ca 0.00 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 2i9b n LYS 98 Cb 0.00 -3.37 0.01 0.00 -0.02 0.00 0.00 35.03 31.65 2i9b n LYS 98 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2i9b n HIS 99 N 11.28 -0.65 -2.37 2.13 1.44 -1.26 -5.01 115.22 120.77 2i9b n HIS 99 Ca 0.47 -0.72 -0.13 0.00 -2.01 0.00 0.00 57.72 55.33 2i9b n HIS 99 Cb 0.44 0.34 0.03 0.00 0.12 0.00 0.00 29.99 30.92 2i9b n HIS 99 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2i9b n ASN 100 N -0.97 3.42 -4.81 4.39 6.94 -1.26 -0.09 115.26 122.87 2i9b n ASN 100 Ca 0.02 -2.99 -0.36 0.00 -0.02 0.00 0.00 54.58 51.22 2i9b n ASN 100 Cb 0.45 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.41 2i9b n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2i9b s TYR 101 N -3.66 3.67 0.25 -2.53 2.02 -1.26 -4.46 117.35 111.38 2i9b s TYR 101 Ca 0.40 1.43 -0.31 0.00 -0.37 0.00 0.00 57.07 58.23 2i9b s TYR 101 Cb 0.37 -2.65 -0.12 0.00 -0.40 0.00 0.00 41.96 39.16 2i9b s TYR 101 CO 0.00 0.34 1.66 0.00 -1.57 0.00 0.00 175.55 175.99 2i9b s ARG 103 N 0.33 1.28 -0.44 0.00 1.81 0.32 -4.67 118.95 117.58 2i9b s ARG 103 Ca 0.69 -1.56 0.05 0.00 -1.72 0.00 0.00 55.73 53.19 2i9b s ARG 103 Cb -0.49 0.31 0.18 0.00 -0.45 0.00 0.00 34.95 34.50 2i9b s ARG 103 CO 0.40 -0.45 0.46 -1.71 -0.68 0.00 0.00 175.30 173.33 2i9b n ASN 104 N -0.32 -1.18 -0.42 0.23 4.05 -1.26 -1.03 115.26 115.32 2i9b n ASN 104 Ca 0.01 -2.55 0.13 0.00 0.45 0.00 0.00 54.58 52.62 2i9b n ASN 104 Cb 0.65 0.03 0.30 0.00 1.23 0.00 0.00 39.78 41.99 2i9b n ASN 104 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2i9b n PRO 105 N 2.70 1.24 0.00 1.20 -0.04 -1.26 -4.40 135.00 134.45 2i9b n PRO 105 Ca 0.26 -0.85 0.08 0.00 -0.04 0.00 0.00 63.50 62.95 2i9b n PRO 105 Cb 0.51 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2i9b n PRO 105 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2i9b n ASP 106 N -0.14 1.25 -0.48 3.54 3.85 -1.26 -5.02 116.55 118.30 2i9b n ASP 106 Ca 0.13 -1.12 0.00 0.00 -0.71 0.00 0.00 54.79 53.09 2i9b n ASP 106 Cb 0.40 0.70 0.00 0.00 -1.35 0.00 0.00 41.12 40.87 2i9b n ASP 106 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2i9b n ASN 107 N -0.66 -1.22 -2.88 -1.12 5.15 -1.26 -5.11 115.26 108.16 2i9b n ASN 107 Ca 0.05 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.93 2i9b n ASN 107 Cb 0.30 -0.30 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 2i9b n ASN 107 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2i9b n ARG 108 N -0.48 -0.10 0.00 1.20 1.74 -1.26 -5.01 116.66 112.75 2i9b n ARG 108 Ca 0.00 -0.94 0.09 0.00 -0.77 0.00 0.00 57.85 56.23 2i9b n ARG 108 Cb 0.30 -0.40 -0.05 0.00 -1.02 0.00 0.00 32.46 31.29 2i9b n ARG 108 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2i9b n ARG 109 N -1.92 1.41 -3.96 5.56 1.85 -1.26 -4.91 116.66 113.42 2i9b n ARG 109 Ca 0.07 -0.43 -0.10 0.00 -1.00 0.00 0.00 57.85 56.39 2i9b n ARG 109 Cb 0.23 -1.33 -0.12 0.00 -1.05 0.00 0.00 32.46 30.19 2i9b n ARG 109 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2i9b s ARG 110 N -2.37 0.25 0.16 2.89 0.52 -1.26 -4.34 118.95 114.81 2i9b s ARG 110 Ca 0.11 -0.46 -0.34 0.00 -0.52 0.00 0.00 55.73 54.52 2i9b s ARG 110 Cb 0.14 0.05 -0.14 0.00 0.52 0.00 0.00 34.95 35.52 2i9b s ARG 110 CO 0.59 -0.03 1.57 -2.30 0.02 0.00 0.00 175.30 175.14 2i9b n PRO 111 N 1.98 2.12 -4.51 3.54 -0.02 -1.24 -4.84 135.00 132.02 2i9b n PRO 111 Ca -0.21 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 61.76 2i9b n PRO 111 Cb 0.56 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 2i9b n PRO 111 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2i9b n TRP 112 N 3.36 0.44 -3.45 6.00 4.27 -0.20 -0.39 117.44 127.47 2i9b n TRP 112 Ca 0.17 -2.61 -0.11 0.00 -3.89 0.00 0.00 57.50 51.05 2i9b n TRP 112 Cb 0.29 -0.10 -0.02 0.00 -1.36 0.00 0.00 31.31 30.11 2i9b n TRP 112 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9b s TYR 114 N -3.61 3.49 -0.14 0.00 2.02 -1.26 -0.41 117.35 117.44 2i9b s TYR 114 Ca 0.02 1.53 -0.00 0.00 -0.37 0.00 0.00 57.07 58.25 2i9b s TYR 114 Cb -0.01 -3.16 -0.01 0.00 -0.40 0.00 0.00 41.96 38.38 2i9b s TYR 114 CO -0.12 -0.24 -0.13 0.08 -1.57 0.00 0.00 175.55 173.57 2i9b s VAL 115 N 2.09 2.96 -0.73 0.71 1.01 0.96 -1.62 120.40 125.77 2i9b s VAL 115 Ca 0.46 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2i9b s VAL 115 Cb -0.18 -2.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 2i9b s VAL 115 CO 0.16 0.51 2.35 -1.58 0.00 0.00 0.00 175.10 176.55 2i9b s GLN 116 N 0.56 1.83 -0.11 2.72 2.00 -1.26 -1.80 119.66 123.59 2i9b s GLN 116 Ca -0.08 0.62 0.01 0.00 -2.00 0.00 0.00 55.36 53.91 2i9b s GLN 116 Cb -0.16 -4.75 0.02 0.00 0.80 0.00 0.00 33.01 28.92 2i9b s GLN 116 CO 0.03 -4.05 -0.15 0.08 -0.50 0.00 0.00 175.29 170.71 2i9b s VAL 117 N 13.63 1.48 0.00 1.34 1.01 -1.26 -4.84 120.40 131.76 2i9b s VAL 117 Ca 0.91 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2i9b s VAL 117 Cb -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2i9b s VAL 117 CO 0.11 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2i9b n GLY 118 N 4.32 1.91 0.00 4.51 0.00 -1.26 -3.18 105.19 111.49 2i9b n GLY 118 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2i9b n GLY 118 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2i9b n LEU 119 N 0.00 0.00 -4.52 0.99 0.00 -1.26 -5.10 117.00 107.11 2i9b n LEU 119 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.60 2i9b n LEU 119 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2i9b n LEU 119 CO 0.00 0.00 -0.06 -0.54 0.00 0.00 0.00 177.39 176.79 2i9b s LYS 120 N 0.00 3.43 0.14 1.96 1.02 -1.19 -5.04 119.74 120.05 2i9b s LYS 120 Ca 0.00 -0.63 -0.33 0.00 0.02 0.00 0.00 55.97 55.03 2i9b s LYS 120 Cb 0.00 -3.84 -0.13 0.00 -0.52 0.00 0.00 37.83 33.34 2i9b s LYS 120 CO 0.00 -0.53 1.67 -0.35 -0.92 0.00 0.00 175.35 175.22 2i9b n PRO 121 N 5.22 2.35 -4.28 -1.68 -0.04 -1.26 -4.11 135.00 131.20 2i9b n PRO 121 Ca -0.11 0.85 -0.28 0.00 -0.04 0.00 0.00 63.50 63.91 2i9b n PRO 121 Cb 0.49 -2.66 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2i9b n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2i9b s LEU 122 N 1.52 2.88 0.10 1.53 1.43 -0.74 -4.82 118.68 120.57 2i9b s LEU 122 Ca 0.80 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 2i9b s LEU 122 Cb -0.62 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 2i9b s LEU 122 CO 0.38 0.15 1.28 0.54 0.23 0.00 0.00 176.35 178.94 2i9b s VAL 123 N -1.37 3.64 0.00 -1.59 0.11 -1.26 -0.03 120.40 119.89 2i9b s VAL 123 Ca 0.21 1.20 -0.02 0.00 -2.93 0.00 0.00 61.98 60.45 2i9b s VAL 123 Cb -0.10 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 30.97 2i9b s VAL 123 CO 0.13 0.11 0.03 -1.10 -3.33 0.00 0.00 175.10 170.93 2i9b s GLN 124 N 0.89 0.20 0.76 1.54 -1.52 0.45 -4.92 119.66 117.07 2i9b s GLN 124 Ca 0.60 -0.25 -0.11 0.00 -1.95 0.00 0.00 55.36 53.66 2i9b s GLN 124 Cb -0.33 0.08 0.05 0.00 -0.22 0.00 0.00 33.01 32.59 2i9b s GLN 124 CO 0.31 -0.04 1.10 -1.21 -0.25 0.00 0.00 175.29 175.20 2i9b s GLU 125 N -0.71 2.30 0.44 2.91 2.02 -1.26 -0.12 118.70 124.28 2i9b s GLU 125 Ca -0.08 1.21 0.05 0.00 0.02 0.00 0.00 54.97 56.17 2i9b s GLU 125 Cb -0.05 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.29 2i9b s GLU 125 CO -0.00 -1.62 0.61 0.00 0.02 0.00 0.00 175.26 174.27 2i9b h MET 127 N 0.53 -0.66 -6.33 0.00 4.05 -0.77 -3.42 114.93 108.34 2i9b h MET 127 Ca -0.42 0.04 -0.57 0.00 -0.28 0.00 0.00 59.70 58.47 2i9b h MET 127 Cb 1.28 0.15 0.19 0.00 -0.80 0.00 0.00 31.60 32.42 2i9b h MET 127 CO 0.49 -0.44 -0.89 1.33 0.23 0.00 0.00 176.91 177.63 2i9b n VAL 128 N -3.91 0.91 -4.64 -5.77 0.24 -1.26 -4.97 118.33 98.92 2i9b n VAL 128 Ca -0.08 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.47 2i9b n VAL 128 Cb 0.27 -0.37 -0.08 0.00 -1.47 0.00 0.00 33.84 32.19 2i9b n VAL 128 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2i9b s HIS 129 N -1.95 1.81 0.27 6.34 2.46 -1.26 -4.95 115.29 118.01 2i9b s HIS 129 Ca 0.58 -1.14 -0.30 0.00 0.47 0.00 0.00 55.06 54.67 2i9b s HIS 129 Cb -0.37 -1.37 -0.11 0.00 -0.13 0.00 0.00 32.58 30.60 2i9b s HIS 129 CO 0.65 -0.06 1.53 0.34 -2.47 0.00 0.00 174.74 174.73 2i9b s ASP 130 N -3.75 6.50 -0.45 9.88 3.68 -1.26 -2.31 116.67 128.96 2i9b s ASP 130 Ca 0.14 2.82 -0.23 0.00 2.13 0.00 0.00 52.55 57.41 2i9b s ASP 130 Cb 0.02 -2.63 -0.22 0.00 -1.45 0.00 0.00 42.92 38.64 2i9b s ASP 130 CO 0.09 -0.82 1.76 0.00 0.13 0.00 0.00 175.17 176.32