#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 -5.79 -4.17 0.00 8.00 -1.26 -5.02 116.55 108.31 2i9b n ASP 12 Ca 0.00 -0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.05 2i9b n ASP 12 Cb 0.00 -3.86 -0.14 0.00 -0.02 0.00 0.00 41.12 37.10 2i9b n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i9b s LEU 14 N 1.27 2.37 -1.51 0.00 1.43 0.11 -3.87 118.68 118.48 2i9b s LEU 14 Ca -0.03 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2i9b s LEU 14 Cb -0.19 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2i9b s LEU 14 CO -0.03 -3.18 0.09 0.59 0.23 0.00 0.00 176.35 174.06 2i9b n ASN 15 N -4.05 0.35 -0.47 2.29 4.13 -1.26 -0.54 115.26 115.70 2i9b n ASN 15 Ca 0.17 -1.28 -0.06 0.00 1.68 0.00 0.00 54.58 55.09 2i9b n ASN 15 Cb 0.59 -1.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.17 2i9b n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i9b n GLY 16 N -2.52 0.80 3.80 7.41 0.00 -1.26 -4.62 105.19 108.81 2i9b n GLY 16 Ca -0.30 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 2i9b n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i9b s GLY 17 N -2.55 1.79 0.05 -0.02 0.00 0.29 -4.65 107.32 102.24 2i9b s GLY 17 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 44.72 45.02 2i9b s GLY 17 CO 0.00 0.54 -0.23 -0.51 0.00 0.00 0.00 173.10 172.90 2i9b s THR 18 N -2.85 1.84 -0.14 0.90 -4.23 0.95 -4.76 115.64 107.37 2i9b s THR 18 Ca 0.60 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 59.57 2i9b s THR 18 Cb -0.15 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2i9b s THR 18 CO 0.51 0.22 0.70 0.00 -0.54 0.00 0.00 174.62 175.51 2i9b s VAL 20 N 1.48 2.54 0.31 0.00 1.01 -1.09 -4.98 120.40 119.66 2i9b s VAL 20 Ca 0.34 -1.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.41 2i9b s VAL 20 Cb -0.17 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2i9b s VAL 20 CO 0.14 -0.07 0.42 -0.94 0.00 0.00 0.00 175.10 174.65 2i9b s SER 21 N -2.57 0.69 -0.08 3.32 1.04 -1.26 -1.54 113.70 113.29 2i9b s SER 21 Ca 0.20 -1.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 2i9b s SER 21 Cb -0.09 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.69 2i9b s SER 21 CO 0.10 -1.20 0.15 0.21 0.98 0.00 0.00 173.24 173.48 2i9b s ASN 22 N -3.20 0.59 0.46 7.02 3.84 -1.25 -5.04 114.94 117.36 2i9b s ASN 22 Ca 0.31 0.30 0.19 0.00 0.21 0.00 0.00 52.86 53.87 2i9b s ASN 22 Cb 0.01 0.22 1.17 0.00 -0.55 0.00 0.00 41.25 42.09 2i9b s ASN 22 CO 0.18 -0.22 1.92 0.07 -2.79 0.00 0.00 177.10 176.25 2i9b h LYS 23 N 8.12 0.28 0.00 0.43 2.10 -1.95 0.04 116.57 125.60 2i9b h LYS 23 Ca -0.20 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2i9b h LYS 23 Cb 1.12 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 2i9b h LYS 23 CO 0.21 0.19 0.00 0.66 -2.00 0.00 0.00 179.45 178.50 2i9b n TYR 24 N -4.44 0.00 -3.31 0.07 4.01 -1.26 -4.20 117.16 108.03 2i9b n TYR 24 Ca 0.15 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.63 2i9b n TYR 24 Cb 0.61 -0.20 -0.07 0.00 -0.31 0.00 0.00 39.34 39.37 2i9b n TYR 24 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2i9b n PHE 25 N -1.20 1.79 0.00 -0.72 3.01 0.00 -5.10 117.46 115.24 2i9b n PHE 25 Ca 0.17 -3.88 0.00 0.00 1.01 0.00 0.00 57.45 54.75 2i9b n PHE 25 Cb 0.20 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 2i9b n PHE 25 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2i9b n SER 26 N 1.09 0.00 0.11 4.37 7.64 -1.26 -3.16 113.62 122.42 2i9b n SER 26 Ca 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 2i9b n SER 26 Cb 0.47 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.72 2i9b n SER 26 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2i9b h ASN 27 N 0.00 0.00 -0.95 6.43 2.35 -1.95 -3.45 115.58 118.01 2i9b h ASN 27 Ca 0.00 0.00 -0.84 0.00 -0.55 0.00 0.00 56.30 54.91 2i9b h ASN 27 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2i9b h ASN 27 CO 0.00 0.74 0.82 2.30 -1.65 0.00 0.00 177.43 179.64 2i9b n ILE 28 N -3.51 0.05 -4.40 2.81 -6.64 -1.19 -4.93 119.36 101.55 2i9b n ILE 28 Ca -0.00 -0.01 -0.22 0.00 -1.77 0.00 0.00 62.75 60.74 2i9b n ILE 28 Cb 0.76 -0.62 -0.13 0.00 -1.44 0.00 0.00 39.64 38.20 2i9b n ILE 28 CO 0.00 0.00 0.00 -1.38 -1.77 0.00 0.00 176.55 173.40 2i9b s HIS 29 N 3.55 1.53 0.00 4.28 -3.43 -1.26 -3.88 115.29 116.08 2i9b s HIS 29 Ca 1.06 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 2i9b s HIS 29 Cb -1.43 -0.89 0.00 0.00 -1.43 0.00 0.00 32.58 28.84 2i9b s HIS 29 CO 0.77 0.10 0.00 -2.67 -2.00 0.00 0.00 174.74 170.94 2i9b n TRP 30 N 1.60 0.00 -4.42 0.38 2.14 -0.59 -4.98 117.44 111.57 2i9b n TRP 30 Ca -0.19 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.19 2i9b n TRP 30 Cb 0.54 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.90 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 -0.69 5.94 -0.04 0.00 -0.87 0.66 -4.94 114.94 115.01 2i9b s ASN 32 Ca 0.03 -0.45 -0.02 0.00 -1.57 0.00 0.00 52.86 50.85 2i9b s ASN 32 Cb -0.06 -2.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.02 2i9b s ASN 32 CO 0.00 -0.23 0.08 0.00 -2.57 0.00 0.00 177.10 174.38 2i9b n PRO 34 N 1.49 -0.10 -0.29 0.00 -0.02 -1.26 -4.85 135.00 129.96 2i9b n PRO 34 Ca -0.15 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.30 2i9b n PRO 34 Cb 0.53 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2i9b n PRO 34 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2i9b n LYS 35 N -2.25 -0.26 -0.89 -0.52 4.81 -1.26 -2.24 118.16 115.55 2i9b n LYS 35 Ca 0.10 1.06 -0.17 0.00 -0.87 0.00 0.00 58.31 58.43 2i9b n LYS 35 Cb 0.52 -1.57 0.13 0.00 0.02 0.00 0.00 35.03 34.13 2i9b n LYS 35 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2i9b n LYS 36 N -4.92 1.94 -4.16 1.64 4.76 -1.26 -4.88 118.16 111.28 2i9b n LYS 36 Ca 0.03 -2.18 -0.22 0.00 -2.87 0.00 0.00 58.31 53.08 2i9b n LYS 36 Cb 0.21 -1.86 -0.17 0.00 -1.84 0.00 0.00 35.03 31.38 2i9b n LYS 36 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2i9b s PHE 37 N -2.39 0.90 0.25 2.13 0.40 -0.95 -2.82 117.98 115.51 2i9b s PHE 37 Ca 0.41 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2i9b s PHE 37 Cb 0.35 -0.78 0.02 0.00 0.51 0.00 0.00 43.02 43.11 2i9b s PHE 37 CO 0.08 -0.24 0.14 0.41 0.70 0.00 0.00 175.22 176.30 2i9b n GLY 38 N 4.20 3.20 0.00 4.36 0.00 -0.41 -4.58 105.19 111.96 2i9b n GLY 38 Ca -0.22 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.56 2i9b n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9b n GLY 39 N 1.94 0.79 0.34 -0.02 0.00 -1.26 -2.07 105.19 104.92 2i9b n GLY 39 Ca -0.04 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.26 2i9b n GLY 39 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2i9b h GLN 40 N 0.00 0.67 -0.23 1.61 4.20 -1.98 -2.52 115.11 116.86 2i9b h GLN 40 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2i9b h GLN 40 Cb 0.00 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2i9b h GLN 40 CO 0.00 0.44 0.00 0.72 -0.67 0.00 0.00 178.83 179.32 2i9b n HIS 41 N -4.47 0.30 -1.04 2.96 8.25 -1.26 -4.07 115.22 115.90 2i9b n HIS 41 Ca 0.08 -0.37 -0.01 0.00 -0.26 0.00 0.00 57.72 57.15 2i9b n HIS 41 Cb 0.16 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2i9b n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i9b h GLU 43 N 0.57 0.04 -6.19 0.00 3.07 -1.79 -3.40 114.58 106.88 2i9b h GLU 43 Ca -0.03 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.26 2i9b h GLU 43 Cb 0.26 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 2i9b h GLU 43 CO 0.04 0.10 0.90 0.42 -1.40 0.00 0.00 179.01 179.07 2i9b s ILE 44 N -4.92 4.34 -0.83 3.13 1.01 -0.88 -4.87 121.20 118.19 2i9b s ILE 44 Ca -0.05 1.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.98 2i9b s ILE 44 Cb 0.16 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.61 2i9b s ILE 44 CO 0.69 -0.25 1.11 -0.62 0.00 0.00 0.00 174.94 175.87 2i9b s ASP 45 N 2.00 6.41 0.00 3.58 -1.08 -0.02 -1.29 116.67 126.27 2i9b s ASP 45 Ca 0.52 -1.49 0.13 0.00 -0.52 0.00 0.00 52.55 51.20 2i9b s ASP 45 Cb -0.19 -2.43 0.80 0.00 -1.46 0.00 0.00 42.92 39.64 2i9b s ASP 45 CO 0.15 -1.30 1.22 1.17 0.52 0.00 0.00 175.17 176.93 2i9b n LYS 46 N 7.41 0.47 0.00 4.34 4.81 -1.13 -3.50 118.16 130.57 2i9b n LYS 46 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2i9b n LYS 46 Cb 0.48 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2i9b n LYS 46 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2i9b n SER 47 N -0.95 4.45 -4.57 3.14 3.41 -1.26 -4.97 113.62 112.88 2i9b n SER 47 Ca 0.10 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.26 2i9b n SER 47 Cb 0.05 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 2i9b n SER 47 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2i9b n LYS 48 N -1.61 1.19 -0.23 4.33 4.76 -1.23 -4.92 118.16 120.45 2i9b n LYS 48 Ca 0.00 0.42 0.04 0.00 -2.87 0.00 0.00 58.31 55.89 2i9b n LYS 48 Cb 0.24 -1.75 0.05 0.00 -1.84 0.00 0.00 35.03 31.73 2i9b n LYS 48 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2i9b n THR 49 N 0.15 0.79 -3.61 -0.18 -2.24 -1.26 -4.61 114.28 103.32 2i9b n THR 49 Ca 0.10 -0.93 -0.03 0.00 -2.27 0.00 0.00 64.05 60.93 2i9b n THR 49 Cb 0.32 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.34 2.97 -0.07 0.00 -0.85 -1.07 -4.79 117.35 111.20 2i9b s TYR 51 Ca 0.10 0.02 -0.17 0.00 -0.52 0.00 0.00 57.07 56.51 2i9b s TYR 51 Cb -0.00 -1.65 -0.05 0.00 0.38 0.00 0.00 41.96 40.63 2i9b s TYR 51 CO -0.04 0.40 0.44 -1.21 -1.52 0.00 0.00 175.55 173.62 2i9b s GLU 52 N -1.34 4.18 7.18 -3.49 0.41 -1.26 -2.67 118.70 121.71 2i9b s GLU 52 Ca 0.17 0.42 0.00 0.00 -0.41 0.00 0.00 54.97 55.15 2i9b s GLU 52 Cb -0.11 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 2i9b s GLU 52 CO 0.07 0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 2i9b n GLY 53 N 2.68 2.13 0.45 -1.39 0.00 -1.26 -2.68 105.19 105.12 2i9b n GLY 53 Ca -0.10 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 9.50 2.06 0.00 1.61 2.04 -1.26 -4.92 115.26 124.28 2i9b n ASN 54 Ca 0.00 -1.54 0.00 0.00 -0.44 0.00 0.00 54.58 52.60 2i9b n ASN 54 Cb 0.00 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 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 0.56 0.83 0.41 4.83 0.00 -1.09 -3.61 105.19 107.11 2i9b n GLY 55 Ca 0.07 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.32 2i9b n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2i9b h HIS 56 N 0.00 0.62 -0.51 1.61 6.17 -1.82 0.22 115.15 121.44 2i9b h HIS 56 Ca 0.00 0.02 -0.18 0.00 0.71 0.00 0.00 60.37 60.92 2i9b h HIS 56 Cb 0.00 -0.18 -0.11 0.00 2.52 0.00 0.00 27.41 29.64 2i9b h HIS 56 CO 0.00 0.07 0.12 1.19 0.71 0.00 0.00 177.93 180.03 2i9b n PHE 57 N -4.60 1.66 -2.97 5.26 3.72 -1.26 -4.72 117.46 114.56 2i9b n PHE 57 Ca 0.24 -1.31 -0.40 0.00 -0.05 0.00 0.00 57.45 55.93 2i9b n PHE 57 Cb 0.86 -0.55 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 2i9b n PHE 57 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2i9b s TYR 58 N -3.07 3.61 -0.15 1.38 5.04 0.77 -4.96 117.35 119.97 2i9b s TYR 58 Ca 0.48 1.37 0.18 0.00 -2.44 0.00 0.00 57.07 56.66 2i9b s TYR 58 Cb 0.41 -2.87 0.44 0.00 0.35 0.00 0.00 41.96 40.29 2i9b s TYR 58 CO 0.07 0.09 1.18 0.54 -1.34 0.00 0.00 175.55 176.10 2i9b n ARG 59 N 3.68 1.26 -0.26 4.97 5.12 -1.26 -4.84 116.66 125.33 2i9b n ARG 59 Ca 0.00 -2.95 -0.04 0.00 -1.93 0.00 0.00 57.85 52.93 2i9b n ARG 59 Cb 0.51 -1.09 0.03 0.00 -1.16 0.00 0.00 32.46 30.76 2i9b n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i9b n GLY 60 N -0.38 -1.45 1.31 -0.13 0.00 -1.26 -0.84 105.19 102.44 2i9b n GLY 60 Ca 0.16 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.56 2i9b n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9b n LYS 61 N -1.53 2.99 -2.36 1.61 5.02 -1.26 -4.70 118.16 117.92 2i9b n LYS 61 Ca 0.02 -3.00 -0.39 0.00 -2.02 0.00 0.00 58.31 52.92 2i9b n LYS 61 Cb 0.09 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.10 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 -2.97 3.23 0.00 7.82 0.00 -1.26 -4.89 121.76 123.68 2i9b s ALA 62 Ca 0.47 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.39 2i9b s ALA 62 Cb 0.39 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 20.20 2i9b s ALA 62 CO 0.09 -0.40 0.82 -1.13 0.00 0.00 0.00 175.76 175.14 2i9b n SER 63 N 0.37 -0.03 -4.16 0.00 3.41 -1.26 -0.26 113.62 111.70 2i9b n SER 63 Ca 0.03 -1.60 -0.23 0.00 -0.26 0.00 0.00 58.87 56.80 2i9b n SER 63 Cb 0.46 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.31 0.00 6.66 -1.32 -1.26 -1.28 115.64 119.75 2i9b s THR 64 Ca 0.04 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2i9b s THR 64 Cb 0.05 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2i9b s THR 64 CO -0.02 0.27 0.00 -0.90 -2.21 0.00 0.00 174.62 171.76 2i9b n ASP 65 N 2.41 0.00 0.01 8.08 3.85 -0.39 -3.01 116.55 127.50 2i9b n ASP 65 Ca -0.16 -0.74 -0.02 0.00 -0.71 0.00 0.00 54.79 53.16 2i9b n ASP 65 Cb 0.54 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.56 2i9b n ASP 65 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2i9b h THR 66 N -0.55 1.23 -0.01 2.12 1.35 -1.71 -2.62 112.91 112.74 2i9b h THR 66 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2i9b h THR 66 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2i9b h THR 66 CO 0.00 0.34 -0.06 0.23 -0.25 0.00 0.00 175.52 175.78 2i9b n MET 67 N -4.19 0.96 -0.55 4.72 2.81 -1.26 -4.91 117.12 114.70 2i9b n MET 67 Ca 0.00 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 2i9b n MET 67 Cb 0.33 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.19 0.77 3.79 3.03 0.00 -0.99 -5.05 105.19 107.93 2i9b n GLY 68 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.45 3.94 0.60 1.61 0.52 -1.26 -4.73 118.95 119.17 2i9b s ARG 69 Ca 0.00 1.41 -0.14 0.00 -0.52 0.00 0.00 55.73 56.48 2i9b s ARG 69 Cb 0.00 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2i9b s ARG 69 CO 0.00 -0.32 1.03 -1.25 0.02 0.00 0.00 175.30 174.78 2i9b s PRO 70 N -2.97 3.45 0.52 3.54 0.04 -1.26 -1.26 135.00 137.05 2i9b s PRO 70 Ca 0.64 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 2i9b s PRO 70 Cb -0.18 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2i9b s PRO 70 CO 0.22 -0.69 0.91 0.00 0.04 0.00 0.00 177.00 177.48 2i9b s LEU 72 N -4.50 4.31 0.49 0.00 1.43 -0.59 -4.90 118.68 114.92 2i9b s LEU 72 Ca 0.54 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 55.20 2i9b s LEU 72 Cb -0.10 -4.02 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 2i9b s LEU 72 CO 0.41 -0.08 1.22 -2.84 0.23 0.00 0.00 176.35 175.29 2i9b s PRO 73 N -2.14 3.57 0.00 1.29 0.02 -1.26 -4.60 135.00 131.88 2i9b s PRO 73 Ca 0.51 1.91 0.11 0.00 0.02 0.00 0.00 61.00 63.54 2i9b s PRO 73 Cb -0.18 -2.36 0.66 0.00 0.02 0.00 0.00 34.50 32.65 2i9b s PRO 73 CO 0.23 -0.74 1.09 0.91 -0.33 0.00 0.00 177.00 178.15 2i9b n TRP 74 N -0.66 0.00 -0.01 6.54 7.02 0.14 -1.57 117.44 128.91 2i9b n TRP 74 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 2i9b n TRP 74 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 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 -0.93 1.64 -4.52 -0.99 6.94 -1.26 0.17 115.26 116.31 2i9b n ASN 75 Ca 0.08 -1.65 -0.38 0.00 -0.02 0.00 0.00 54.58 52.62 2i9b n ASN 75 Cb 0.04 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.50 2i9b n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2i9b n SER 76 N -0.32 -0.33 -0.13 0.53 7.64 -0.61 -4.76 113.62 115.64 2i9b n SER 76 Ca 0.00 0.77 0.01 0.00 1.01 0.00 0.00 58.87 60.66 2i9b n SER 76 Cb 0.16 -1.25 0.30 0.00 -1.01 0.00 0.00 64.21 62.41 2i9b n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9b h ALA 77 N 0.36 1.52 -0.05 -0.43 0.00 -1.97 -1.36 119.26 117.34 2i9b h ALA 77 Ca -0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2i9b h ALA 77 Cb 1.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2i9b h ALA 77 CO 0.49 0.42 -0.00 1.15 0.00 0.00 0.00 179.25 181.31 2i9b h THR 78 N 0.82 1.25 -0.22 0.00 2.02 -1.94 -2.90 112.91 111.94 2i9b h THR 78 Ca 0.22 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2i9b h THR 78 Cb -0.04 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2i9b h THR 78 CO -0.04 0.21 0.03 0.58 0.37 0.00 0.00 175.52 176.67 2i9b h VAL 79 N -0.21 1.12 0.00 3.16 2.07 -1.73 0.49 116.25 121.15 2i9b h VAL 79 Ca 0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2i9b h VAL 79 Cb 0.33 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2i9b h VAL 79 CO 0.00 0.15 0.06 -0.07 0.02 0.00 0.00 177.57 177.74 2i9b h LEU 80 N 0.31 0.00 -0.74 2.57 3.38 -1.05 0.56 115.31 120.34 2i9b h LEU 80 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2i9b h LEU 80 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2i9b h LEU 80 CO -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.21 2i9b n GLN 81 N -2.58 1.06 -2.32 1.13 1.13 0.16 -4.94 117.38 111.01 2i9b n GLN 81 Ca -0.02 -0.74 -0.21 0.00 -1.94 0.00 0.00 57.00 54.09 2i9b n GLN 81 Cb 0.11 -1.48 0.11 0.00 0.11 0.00 0.00 30.24 29.09 2i9b n GLN 81 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2i9b n GLN 82 N -0.32 -0.08 0.11 -1.09 1.13 0.20 -5.01 117.38 112.31 2i9b n GLN 82 Ca 0.11 -2.40 0.12 0.00 -1.94 0.00 0.00 57.00 52.90 2i9b n GLN 82 Cb 0.40 -0.62 0.19 0.00 0.11 0.00 0.00 30.24 30.32 2i9b n GLN 82 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2i9b h THR 83 N -0.63 0.00 -3.69 5.09 1.35 -1.92 -3.42 112.91 109.68 2i9b h THR 83 Ca -0.30 -0.70 -0.63 0.00 -0.55 0.00 0.00 66.41 64.24 2i9b h THR 83 Cb 1.09 1.43 -0.38 0.00 -1.73 0.00 0.00 68.15 68.56 2i9b h THR 83 CO 0.31 0.00 -0.78 -0.31 -0.25 0.00 0.00 175.52 174.49 2i9b s TYR 84 N -3.20 2.70 0.22 4.73 2.02 -1.26 -5.07 117.35 117.49 2i9b s TYR 84 Ca 0.06 -1.99 -0.11 0.00 -0.37 0.00 0.00 57.07 54.66 2i9b s TYR 84 Cb 0.11 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2i9b s TYR 84 CO 0.70 -0.82 0.40 -3.38 -1.57 0.00 0.00 175.55 170.88 2i9b s HIS 85 N 1.29 0.45 0.48 2.71 -3.43 -1.26 -4.88 115.29 110.65 2i9b s HIS 85 Ca -0.05 -0.79 0.26 0.00 -0.80 0.00 0.00 55.06 53.67 2i9b s HIS 85 Cb -0.19 0.06 1.49 0.00 -1.43 0.00 0.00 32.58 32.51 2i9b s HIS 85 CO -0.07 -0.90 2.12 0.00 -2.00 0.00 0.00 174.74 173.90 2i9b h ALA 86 N 2.35 1.45 -0.32 -1.38 0.00 0.15 -3.11 119.26 118.40 2i9b h ALA 86 Ca -0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2i9b h ALA 86 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2i9b h ALA 86 CO 0.40 0.11 0.04 0.72 0.00 0.00 0.00 179.25 180.52 2i9b n HIS 87 N -3.85 1.12 -2.95 0.00 8.25 -1.26 -4.66 115.22 111.87 2i9b n HIS 87 Ca -0.02 -0.47 -0.35 0.00 -0.26 0.00 0.00 57.72 56.61 2i9b n HIS 87 Cb 0.18 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 2i9b n HIS 87 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2i9b s ARG 88 N -1.86 4.29 0.55 -0.41 0.52 -1.18 -4.93 118.95 115.93 2i9b s ARG 88 Ca 0.28 1.02 0.36 0.00 -0.52 0.00 0.00 55.73 56.87 2i9b s ARG 88 Cb 0.21 -2.61 1.54 0.00 0.52 0.00 0.00 34.95 34.62 2i9b s ARG 88 CO 0.08 0.22 1.81 0.77 0.02 0.00 0.00 175.30 178.19 2i9b h SER 89 N 2.77 0.00 -0.40 0.23 0.02 -1.93 0.25 113.55 114.50 2i9b h SER 89 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2i9b h SER 89 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2i9b h SER 89 CO 0.64 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.43 2i9b n ASP 90 N -4.16 3.23 -0.25 3.07 3.85 -1.26 -4.72 116.55 116.31 2i9b n ASP 90 Ca 0.25 -1.93 -0.02 0.00 -0.71 0.00 0.00 54.79 52.38 2i9b n ASP 90 Cb 1.23 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 40.74 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 1.17 -0.16 -0.35 2.12 0.00 0.08 0.14 120.51 123.50 2i9b n ALA 91 Ca 0.17 0.62 0.03 0.00 0.00 0.00 0.00 53.44 54.25 2i9b n ALA 91 Cb 0.52 -0.24 0.18 0.00 0.00 0.00 0.00 19.45 19.91 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 0.97 -0.90 0.00 5.85 -1.83 0.01 115.31 119.41 2i9b h LEU 92 Ca 0.19 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 2i9b h LEU 92 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2i9b h LEU 92 CO -0.63 0.60 -0.41 1.56 -0.34 0.00 0.00 178.44 179.22 2i9b h GLN 93 N 1.10 0.29 0.00 1.25 7.50 -0.66 -2.83 115.11 121.77 2i9b h GLN 93 Ca 0.43 -0.14 0.00 0.00 0.50 0.00 0.00 58.65 59.44 2i9b h GLN 93 Cb 0.22 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.75 2i9b h GLN 93 CO -0.19 0.66 -0.23 1.28 -1.50 0.00 0.00 178.83 178.85 2i9b n LEU 94 N -4.03 0.74 0.00 1.46 4.77 -0.72 -4.93 117.00 114.29 2i9b n LEU 94 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2i9b n LEU 94 Cb 0.48 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2i9b n LEU 94 CO 0.42 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2i9b n GLY 95 N 1.33 0.50 3.60 -0.72 0.00 -0.12 -4.67 105.19 105.11 2i9b n GLY 95 Ca 0.05 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 4.09 0.00 0.99 1.43 -0.56 -4.98 118.68 119.65 2i9b s LEU 96 Ca 0.00 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2i9b s LEU 96 Cb 0.00 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2i9b s LEU 96 CO 0.00 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.96 2i9b n GLY 97 N 4.67 4.55 3.00 -3.19 0.00 -1.26 -4.22 105.19 108.74 2i9b n GLY 97 Ca -0.08 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 2.80 -1.91 1.61 5.02 -1.26 -3.72 118.16 120.70 2i9b n LYS 98 Ca 0.00 -2.71 -0.01 0.00 -2.02 0.00 0.00 58.31 53.57 2i9b n LYS 98 Cb 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.69 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 7.03 -0.81 -2.45 2.13 1.44 -1.26 -5.00 115.22 116.29 2i9b n HIS 99 Ca 0.51 -0.29 -0.03 0.00 -2.01 0.00 0.00 57.72 55.90 2i9b n HIS 99 Cb 0.41 0.14 0.06 0.00 0.12 0.00 0.00 29.99 30.72 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 -0.78 2.07 -4.78 4.39 6.94 -1.26 0.28 115.26 122.12 2i9b n ASN 100 Ca -0.01 -2.57 -0.38 0.00 -0.02 0.00 0.00 54.58 51.61 2i9b n ASN 100 Cb 0.13 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.07 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 -2.68 3.76 0.33 -2.53 2.02 -1.26 -4.41 117.35 112.58 2i9b s TYR 101 Ca 0.35 1.73 -0.29 0.00 -0.37 0.00 0.00 57.07 58.49 2i9b s TYR 101 Cb 0.36 -2.87 -0.12 0.00 -0.40 0.00 0.00 41.96 38.94 2i9b s TYR 101 CO -0.06 0.31 1.51 0.00 -1.57 0.00 0.00 175.55 175.74 2i9b s ARG 103 N -1.37 1.84 -0.41 0.00 1.81 0.60 -4.75 118.95 116.67 2i9b s ARG 103 Ca 0.58 -1.89 0.09 0.00 -1.72 0.00 0.00 55.73 52.80 2i9b s ARG 103 Cb -0.50 0.39 0.33 0.00 -0.45 0.00 0.00 34.95 34.71 2i9b s ARG 103 CO 0.57 -0.72 0.85 -1.71 -0.68 0.00 0.00 175.30 173.60 2i9b n ASN 104 N -1.49 -0.42 0.21 0.23 5.15 -1.26 0.24 115.26 117.92 2i9b n ASN 104 Ca 0.04 -3.23 0.15 0.00 -0.60 0.00 0.00 54.58 50.94 2i9b n ASN 104 Cb 0.62 0.32 0.68 0.00 -0.53 0.00 0.00 39.78 40.87 2i9b n ASN 104 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2i9b h PRO 105 N 3.12 0.00 -0.54 1.20 0.13 -1.89 -2.32 132.00 131.70 2i9b h PRO 105 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2i9b h PRO 105 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2i9b h PRO 105 CO 0.37 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.74 2i9b n ASP 106 N -2.57 3.92 -1.35 1.44 3.85 -1.26 -4.99 116.55 115.58 2i9b n ASP 106 Ca 0.00 -2.27 -0.14 0.00 -0.71 0.00 0.00 54.79 51.68 2i9b n ASP 106 Cb 0.17 -0.45 -0.03 0.00 -1.35 0.00 0.00 41.12 39.47 2i9b n ASP 106 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2i9b n ASN 107 N 0.88 -4.37 -3.83 -1.12 5.03 -0.87 -5.03 115.26 105.94 2i9b n ASN 107 Ca 0.21 0.12 -0.30 0.00 0.87 0.00 0.00 54.58 55.48 2i9b n ASN 107 Cb 0.68 -3.36 0.27 0.00 -1.02 0.00 0.00 39.78 36.36 2i9b n ASN 107 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2i9b s ARG 108 N -4.08 -2.14 0.26 3.52 0.52 -1.26 -4.93 118.95 110.84 2i9b s ARG 108 Ca 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 55.50 2i9b s ARG 108 Cb 0.00 -1.45 0.33 0.00 0.52 0.00 0.00 34.95 34.35 2i9b s ARG 108 CO 0.00 -4.41 1.93 0.07 0.02 0.00 0.00 175.30 172.92 2i9b h ARG 109 N -3.09 1.24 -4.42 3.54 0.11 -1.96 -3.45 114.38 106.35 2i9b h ARG 109 Ca -0.50 -0.07 -0.20 0.00 0.10 0.00 0.00 59.98 59.31 2i9b h ARG 109 Cb 1.34 -0.28 -0.15 0.00 1.11 0.00 0.00 29.97 31.99 2i9b h ARG 109 CO 0.37 0.82 -0.58 -0.98 0.10 0.00 0.00 179.97 179.69 2i9b s ARG 110 N -6.06 1.10 0.34 0.08 1.70 -1.24 -4.33 118.95 110.54 2i9b s ARG 110 Ca -0.13 -1.49 -0.28 0.00 -0.47 0.00 0.00 55.73 53.36 2i9b s ARG 110 Cb 0.18 0.28 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 2i9b s ARG 110 CO 0.81 -0.35 1.21 -2.14 -1.08 0.00 0.00 175.30 173.76 2i9b s PRO 111 N -4.09 4.34 0.25 3.89 0.02 -1.25 -4.85 135.00 133.31 2i9b s PRO 111 Ca 0.30 2.00 0.06 0.00 0.02 0.00 0.00 61.00 63.38 2i9b s PRO 111 Cb 0.07 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 2i9b s PRO 111 CO 0.07 -0.13 0.20 -2.67 -0.33 0.00 0.00 177.00 174.14 2i9b n TRP 112 N 0.69 -0.54 -3.47 6.54 4.27 0.14 -1.43 117.44 123.63 2i9b n TRP 112 Ca 0.01 -2.09 -0.10 0.00 -3.89 0.00 0.00 57.50 51.43 2i9b n TRP 112 Cb 0.44 0.20 -0.02 0.00 -1.36 0.00 0.00 31.31 30.57 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 -3.37 3.26 0.01 0.00 2.02 -1.26 -1.78 117.35 116.23 2i9b s TYR 114 Ca 0.03 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.28 2i9b s TYR 114 Cb -0.01 -2.89 -0.01 0.00 -0.40 0.00 0.00 41.96 38.65 2i9b s TYR 114 CO -0.10 -0.45 -0.02 0.08 -1.57 0.00 0.00 175.55 173.48 2i9b s VAL 115 N -2.32 0.07 -0.66 0.71 1.01 0.39 -1.54 120.40 118.05 2i9b s VAL 115 Ca 0.62 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2i9b s VAL 115 Cb -0.12 -0.15 0.05 0.00 0.00 0.00 0.00 36.38 36.17 2i9b s VAL 115 CO 0.23 -0.24 1.06 -1.58 0.00 0.00 0.00 175.10 174.57 2i9b s GLN 116 N -0.73 3.18 -0.50 2.72 2.00 -1.26 -1.06 119.66 124.01 2i9b s GLN 116 Ca -0.08 -0.54 -0.03 0.00 -2.00 0.00 0.00 55.36 52.71 2i9b s GLN 116 Cb -0.05 -4.18 0.13 0.00 0.80 0.00 0.00 33.01 29.71 2i9b s GLN 116 CO -0.00 -1.86 0.31 0.08 -0.50 0.00 0.00 175.29 173.31 2i9b s VAL 117 N 4.57 3.49 0.00 1.34 1.01 0.88 -4.93 120.40 126.75 2i9b s VAL 117 Ca 0.28 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2i9b s VAL 117 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2i9b s VAL 117 CO 0.13 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.07 2i9b n GLY 118 N 4.14 2.68 1.02 4.51 0.00 -1.26 -2.10 105.19 114.19 2i9b n GLY 118 Ca 0.02 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.81 2i9b n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i9b n LEU 119 N 0.00 4.12 -4.08 0.99 4.77 -1.26 -4.95 117.00 116.59 2i9b n LEU 119 Ca 0.00 -2.99 -0.26 0.00 -0.03 0.00 0.00 56.01 52.73 2i9b n LEU 119 Cb 0.00 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.37 2i9b n LEU 119 CO 0.00 0.67 -0.49 -1.59 -1.33 0.00 0.00 177.39 174.65 2i9b s LYS 120 N -2.79 1.84 -1.01 3.23 -2.85 -0.89 -5.06 119.74 112.21 2i9b s LYS 120 Ca 0.44 -0.53 -0.20 0.00 -1.00 0.00 0.00 55.97 54.68 2i9b s LYS 120 Cb 0.35 -1.53 0.09 0.00 -2.06 0.00 0.00 37.83 34.68 2i9b s LYS 120 CO 0.10 0.13 1.33 -1.25 0.10 0.00 0.00 175.35 175.76 2i9b s PRO 121 N 0.38 3.65 0.16 1.78 0.04 -1.26 -0.09 135.00 139.67 2i9b s PRO 121 Ca -0.11 -1.53 -0.03 0.00 0.04 0.00 0.00 61.00 59.37 2i9b s PRO 121 Cb -0.14 -5.17 -0.05 0.00 0.04 0.00 0.00 34.50 29.18 2i9b s PRO 121 CO 0.04 -2.00 0.38 -0.51 0.04 0.00 0.00 177.00 174.94 2i9b s LEU 122 N 3.78 4.25 0.21 -3.56 1.43 -0.22 -4.71 118.68 119.84 2i9b s LEU 122 Ca 0.41 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 2i9b s LEU 122 Cb -0.02 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 2i9b s LEU 122 CO -0.08 0.02 1.25 -0.69 0.23 0.00 0.00 176.35 177.08 2i9b s VAL 123 N -1.73 3.36 -0.05 -1.59 1.01 -1.26 -0.47 120.40 119.67 2i9b s VAL 123 Ca 0.40 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 2i9b s VAL 123 Cb -0.12 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2i9b s VAL 123 CO 0.26 0.19 0.10 -1.10 0.00 0.00 0.00 175.10 174.56 2i9b s GLN 124 N -0.35 0.05 0.38 2.72 -1.52 -0.73 -4.91 119.66 115.29 2i9b s GLN 124 Ca 0.54 0.30 -0.26 0.00 -1.95 0.00 0.00 55.36 53.99 2i9b s GLN 124 Cb -0.35 -0.20 -0.09 0.00 -0.22 0.00 0.00 33.01 32.16 2i9b s GLN 124 CO 0.39 -0.16 1.12 -1.21 -0.25 0.00 0.00 175.29 175.17 2i9b s GLU 125 N 1.11 4.19 0.47 2.91 2.02 -1.26 -1.89 118.70 126.25 2i9b s GLU 125 Ca -0.09 1.72 -0.06 0.00 0.02 0.00 0.00 54.97 56.57 2i9b s GLU 125 Cb -0.12 -2.72 0.10 0.00 0.10 0.00 0.00 34.13 31.50 2i9b s GLU 125 CO -0.05 -0.17 0.64 0.00 0.02 0.00 0.00 175.26 175.70 2i9b h MET 127 N 0.00 0.05 -6.53 0.00 2.86 -1.71 -3.40 114.93 106.19 2i9b h MET 127 Ca -0.21 -0.09 -0.59 0.00 -2.06 0.00 0.00 59.70 56.75 2i9b h MET 127 Cb 0.63 0.03 0.14 0.00 0.06 0.00 0.00 31.60 32.45 2i9b h MET 127 CO 0.17 0.66 -0.02 1.33 1.06 0.00 0.00 176.91 180.11 2i9b n VAL 128 N -3.15 2.26 -3.81 -2.22 0.24 -1.26 -5.00 118.33 105.39 2i9b n VAL 128 Ca -0.18 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 2i9b n VAL 128 Cb 1.04 -0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 32.47 2i9b n VAL 128 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2i9b n HIS 129 N -0.60 -0.76 -2.45 6.34 -0.00 -1.26 -4.92 115.22 111.58 2i9b n HIS 129 Ca 0.10 -0.96 -0.36 0.00 -0.00 0.00 0.00 57.72 56.51 2i9b n HIS 129 Cb 0.39 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.99 30.18 2i9b n HIS 129 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2i9b s ASP 130 N -2.26 6.36 0.13 0.41 1.11 -1.26 -2.61 116.67 118.54 2i9b s ASP 130 Ca 0.10 2.07 0.14 0.00 0.18 0.00 0.00 52.55 55.04 2i9b s ASP 130 Cb -0.01 -2.58 0.64 0.00 1.07 0.00 0.00 42.92 42.05 2i9b s ASP 130 CO 0.06 -0.77 1.42 0.00 1.18 0.00 0.00 175.17 177.06