#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 -1.95 -1.00 -4.74 0.00 8.00 -1.26 -4.89 116.55 110.71 2i9a n ASP 12 Ca -0.01 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 2i9a n ASP 12 Cb 0.46 -3.85 -0.05 0.00 -0.02 0.00 0.00 41.12 37.66 2i9a n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i9a s LEU 14 N -0.20 3.44 -1.47 0.00 1.43 0.86 -4.68 118.68 118.06 2i9a s LEU 14 Ca 0.43 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 2i9a s LEU 14 Cb -0.23 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2i9a s LEU 14 CO 0.28 -0.99 0.89 0.59 0.23 0.00 0.00 176.35 177.35 2i9a n ASN 15 N -2.00 -6.23 -0.01 2.29 3.02 -1.26 -1.59 115.26 109.47 2i9a n ASN 15 Ca 0.11 -0.42 -0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2i9a n ASN 15 Cb 0.60 -4.97 -0.00 0.00 -0.61 0.00 0.00 39.78 34.80 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 -1.76 0.40 3.75 7.41 0.00 -1.26 -4.63 105.19 109.09 2i9a n GLY 16 Ca -0.05 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.03 2.40 -0.21 -0.02 0.00 -0.62 -4.73 107.32 102.12 2i9a s GLY 17 Ca 0.00 0.81 -0.08 0.00 0.00 0.00 0.00 44.72 45.46 2i9a s GLY 17 CO 0.00 1.20 0.07 -1.59 0.00 0.00 0.00 173.10 172.78 2i9a s THR 18 N -1.98 4.70 -0.30 0.90 2.01 0.04 -4.82 115.64 116.20 2i9a s THR 18 Ca 0.73 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 2i9a s THR 18 Cb -0.27 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2i9a s THR 18 CO 0.40 0.41 1.13 0.00 -0.69 0.00 0.00 174.62 175.87 2i9a s VAL 20 N 3.75 3.57 0.01 0.00 1.01 0.15 -4.99 120.40 123.90 2i9a s VAL 20 Ca 0.48 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2i9a s VAL 20 Cb -0.14 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2i9a s VAL 20 CO 0.16 0.17 0.04 -0.94 0.00 0.00 0.00 175.10 174.53 2i9a s SER 21 N 1.45 0.15 0.02 3.32 1.04 -1.26 -0.63 113.70 117.79 2i9a s SER 21 Ca 0.02 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 2i9a s SER 21 Cb -0.17 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.04 2i9a s SER 21 CO -0.00 -0.33 1.40 0.21 0.98 0.00 0.00 173.24 175.49 2i9a s ASN 22 N -1.45 6.85 0.00 7.02 3.84 0.31 -4.89 114.94 126.62 2i9a s ASN 22 Ca -0.15 2.16 0.06 0.00 0.21 0.00 0.00 52.86 55.14 2i9a s ASN 22 Cb -0.09 -2.57 0.33 0.00 -0.55 0.00 0.00 41.25 38.38 2i9a s ASN 22 CO 0.00 -0.70 0.98 0.29 -2.79 0.00 0.00 177.10 174.88 2i9a n LYS 23 N 5.10 0.12 0.00 0.43 5.02 -1.26 -3.10 118.16 124.47 2i9a n LYS 23 Ca 0.13 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2i9a n LYS 23 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2i9a n LYS 23 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2i9a n TYR 24 N -1.19 0.00 -3.85 2.13 4.01 -1.26 -4.91 117.16 112.09 2i9a n TYR 24 Ca 0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.48 2i9a n TYR 24 Cb 0.04 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.46 2.80 -0.32 -0.72 0.08 -1.18 -4.98 117.98 112.20 2i9a s PHE 25 Ca 0.00 -2.94 0.23 0.00 0.12 0.00 0.00 56.93 54.34 2i9a s PHE 25 Cb 0.00 -2.46 1.10 0.00 -0.57 0.00 0.00 43.02 41.09 2i9a s PHE 25 CO 0.00 -0.73 1.70 -1.13 -0.10 0.00 0.00 175.22 174.97 2i9a n SER 26 N 3.07 0.65 0.00 1.36 3.41 -1.25 -0.53 113.62 120.32 2i9a n SER 26 Ca 0.09 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.55 2i9a n SER 26 Cb 0.34 -0.83 0.65 0.00 -0.26 0.00 0.00 64.21 64.11 2i9a n SER 26 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2i9a n ASN 27 N -2.28 0.00 -4.31 4.04 5.03 -1.26 -4.52 115.26 111.96 2i9a n ASN 27 Ca 0.00 0.08 -0.46 0.00 0.87 0.00 0.00 54.58 55.08 2i9a n ASN 27 Cb 0.14 -0.35 -0.05 0.00 -1.02 0.00 0.00 39.78 38.50 2i9a n ASN 27 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2i9a s ILE 28 N -2.70 5.24 0.08 2.41 1.01 0.30 -5.03 121.20 122.52 2i9a s ILE 28 Ca 0.22 -1.73 -0.23 0.00 0.00 0.00 0.00 60.65 58.91 2i9a s ILE 28 Cb 0.18 -4.34 0.06 0.00 0.01 0.00 0.00 42.46 38.38 2i9a s ILE 28 CO 0.44 -0.90 0.56 -1.38 0.00 0.00 0.00 174.94 173.66 2i9a s HIS 29 N 1.27 -0.48 0.30 3.97 -3.43 -1.26 -0.53 115.29 115.13 2i9a s HIS 29 Ca 0.06 0.46 -0.14 0.00 -0.80 0.00 0.00 55.06 54.64 2i9a s HIS 29 Cb -0.26 0.42 0.02 0.00 -1.43 0.00 0.00 32.58 31.33 2i9a s HIS 29 CO 0.00 -0.72 0.61 1.67 -2.00 0.00 0.00 174.74 174.31 2i9a s TRP 30 N -2.87 0.24 -0.17 0.38 -2.14 0.20 -4.99 118.94 109.58 2i9a s TRP 30 Ca -0.03 -0.68 -0.08 0.00 2.66 0.00 0.00 56.10 57.97 2i9a s TRP 30 Cb -0.00 0.44 -0.05 0.00 -3.10 0.00 0.00 33.47 30.76 2i9a s TRP 30 CO -0.05 -1.20 0.12 0.00 -2.66 0.00 0.00 176.95 173.15 2i9a s ASN 32 N -0.05 6.15 0.19 0.00 0.01 0.88 -4.88 114.94 117.24 2i9a s ASN 32 Ca 0.09 -0.69 -0.06 0.00 -0.71 0.00 0.00 52.86 51.49 2i9a s ASN 32 Cb -0.11 -2.19 -0.06 0.00 0.41 0.00 0.00 41.25 39.29 2i9a s ASN 32 CO 0.00 -0.48 0.45 0.00 -1.51 0.00 0.00 177.10 175.56 2i9a s PRO 34 N -2.82 1.18 0.17 0.00 0.04 -1.26 -4.93 135.00 127.38 2i9a s PRO 34 Ca 0.43 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 2i9a s PRO 34 Cb -0.12 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.74 2i9a s PRO 34 CO 0.24 -2.47 1.59 1.57 0.04 0.00 0.00 177.00 177.98 2i9a h LYS 35 N -1.74 -0.23 -0.40 4.56 -0.00 -1.98 -2.44 116.57 114.34 2i9a h LYS 35 Ca -0.44 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 2i9a h LYS 35 Cb 1.26 0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.55 2i9a h LYS 35 CO 0.45 -0.15 0.00 0.36 -0.00 0.00 0.00 179.45 180.10 2i9a n LYS 36 N -5.42 1.75 -4.21 0.07 2.85 -1.26 -4.75 118.16 107.19 2i9a n LYS 36 Ca 0.02 -0.92 -0.33 0.00 -1.05 0.00 0.00 58.31 56.02 2i9a n LYS 36 Cb 0.34 -1.33 -0.16 0.00 -0.65 0.00 0.00 35.03 33.23 2i9a n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2i9a s PHE 37 N -1.65 2.77 0.47 5.58 0.40 -0.92 -1.34 117.98 123.29 2i9a s PHE 37 Ca 0.17 -1.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.00 2i9a s PHE 37 Cb 0.10 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.75 2i9a s PHE 37 CO 0.10 -0.75 0.27 0.41 0.70 0.00 0.00 175.22 175.95 2i9a n GLY 38 N 4.52 2.98 0.00 4.36 0.00 0.39 -4.58 105.19 112.87 2i9a n GLY 38 Ca -0.21 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.52 2i9a n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9a n GLY 39 N -0.60 -0.06 0.34 -0.02 0.00 -1.26 -1.01 105.19 102.58 2i9a n GLY 39 Ca -0.05 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.44 2i9a n GLY 39 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2i9a h GLN 40 N 0.00 0.00 -0.10 1.61 4.20 -1.98 -2.38 115.11 116.47 2i9a h GLN 40 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2i9a h GLN 40 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2i9a h GLN 40 CO 0.00 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.88 2i9a n HIS 41 N -4.13 0.26 -2.23 2.96 8.25 -1.26 -3.88 115.22 115.20 2i9a n HIS 41 Ca 0.03 -0.80 -0.16 0.00 -0.26 0.00 0.00 57.72 56.53 2i9a n HIS 41 Cb 0.36 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.56 0.32 -3.62 0.00 0.00 -0.44 -4.53 120.64 109.82 2i9a n GLU 43 Ca -0.19 -0.17 -0.38 0.00 0.00 0.00 0.00 57.16 56.42 2i9a n GLU 43 Cb 0.64 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.47 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 -2.80 5.00 -1.04 3.84 -1.09 -0.18 -4.90 121.20 120.04 2i9a s ILE 44 Ca 0.17 -0.08 -0.18 0.00 -2.23 0.00 0.00 60.65 58.34 2i9a s ILE 44 Cb 0.18 -3.45 0.13 0.00 -1.58 0.00 0.00 42.46 37.75 2i9a s ILE 44 CO 0.61 0.18 1.29 -0.62 -1.23 0.00 0.00 174.94 175.17 2i9a s ASP 45 N 1.70 6.75 0.33 3.58 -1.08 0.08 -0.46 116.67 127.56 2i9a s ASP 45 Ca 0.06 -2.27 0.05 0.00 -0.52 0.00 0.00 52.55 49.87 2i9a s ASP 45 Cb -0.16 -2.43 0.68 0.00 -1.46 0.00 0.00 42.92 39.54 2i9a s ASP 45 CO 0.09 -1.03 1.88 0.11 0.52 0.00 0.00 175.17 176.74 2i9a h LYS 46 N 8.39 0.83 0.00 4.34 1.57 -1.48 -2.97 116.57 127.25 2i9a h LYS 46 Ca 0.23 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2i9a h LYS 46 Cb 0.97 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2i9a h LYS 46 CO 1.20 0.55 -0.77 0.77 -0.57 0.00 0.00 179.45 180.63 2i9a h SER 47 N 0.85 0.00 -2.38 0.86 0.02 -1.90 -3.43 113.55 107.56 2i9a h SER 47 Ca 0.43 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.84 2i9a h SER 47 Cb 0.49 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2i9a h SER 47 CO -0.19 0.31 1.23 -0.75 -1.14 0.00 0.00 176.83 176.29 2i9a s LYS 48 N -3.09 4.08 0.00 3.45 2.47 -1.12 -4.88 119.74 120.65 2i9a s LYS 48 Ca 0.02 2.51 0.22 0.00 -1.56 0.00 0.00 55.97 57.15 2i9a s LYS 48 Cb 0.08 -4.15 0.23 0.00 -1.46 0.00 0.00 37.83 32.52 2i9a s LYS 48 CO 0.76 -1.02 1.24 0.25 0.16 0.00 0.00 175.35 176.73 2i9a n THR 49 N 5.70 0.12 -3.71 3.43 -2.24 -1.26 -4.39 114.28 111.93 2i9a n THR 49 Ca 0.20 -0.56 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 2i9a n THR 49 Cb 0.42 1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 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 -3.66 2.97 0.03 0.00 -0.85 -0.63 -4.77 117.35 110.44 2i9a s TYR 51 Ca 0.09 -0.04 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2i9a s TYR 51 Cb -0.03 -1.52 -0.04 0.00 0.38 0.00 0.00 41.96 40.74 2i9a s TYR 51 CO 0.00 0.48 0.03 -1.21 -1.52 0.00 0.00 175.55 173.34 2i9a s GLU 52 N -2.36 2.83 7.81 -3.49 2.02 -1.26 -0.34 118.70 123.91 2i9a s GLU 52 Ca 0.26 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2i9a s GLU 52 Cb -0.12 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2i9a s GLU 52 CO 0.18 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.48 2i9a n GLY 53 N 1.04 3.45 1.16 -1.39 0.00 -1.26 -0.91 105.19 107.28 2i9a n GLY 53 Ca -0.12 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 6.44 3.43 -0.27 1.61 0.23 -1.26 -4.94 115.26 120.51 2i9a n ASN 54 Ca 0.00 -1.98 -0.03 0.00 -0.53 0.00 0.00 54.58 52.03 2i9a n ASN 54 Cb 0.00 -0.29 -0.01 0.00 -2.08 0.00 0.00 39.78 37.39 2i9a n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2i9a n GLY 55 N 1.52 0.60 0.37 4.83 0.00 -0.09 -3.55 105.19 108.87 2i9a n GLY 55 Ca 0.20 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 0.41 -0.61 1.61 6.17 -1.80 -1.24 115.15 119.69 2i9a h HIS 56 Ca -0.07 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.02 2i9a h HIS 56 Cb 0.47 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.26 2i9a h HIS 56 CO 0.25 0.17 0.00 1.19 0.71 0.00 0.00 177.93 180.25 2i9a n PHE 57 N -4.46 1.11 -1.94 5.26 3.01 -1.26 -4.57 117.46 114.61 2i9a n PHE 57 Ca 0.13 -0.57 -0.42 0.00 1.01 0.00 0.00 57.45 57.60 2i9a n PHE 57 Cb 0.50 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 2i9a n PHE 57 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2i9a s TYR 58 N -1.46 3.05 -0.05 1.38 5.04 -0.47 -4.91 117.35 119.93 2i9a s TYR 58 Ca 0.45 0.67 0.09 0.00 -2.44 0.00 0.00 57.07 55.84 2i9a s TYR 58 Cb 0.27 -3.92 0.15 0.00 0.35 0.00 0.00 41.96 38.81 2i9a s TYR 58 CO 0.25 -3.35 1.07 0.54 -1.34 0.00 0.00 175.55 172.73 2i9a n ARG 59 N 3.78 0.44 -0.60 4.97 5.12 -1.26 -4.80 116.66 124.31 2i9a n ARG 59 Ca 0.13 -1.68 -0.07 0.00 -1.93 0.00 0.00 57.85 54.30 2i9a n ARG 59 Cb 0.39 -0.78 0.04 0.00 -1.16 0.00 0.00 32.46 30.95 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 -0.41 -0.76 1.22 -0.13 0.00 -1.26 -0.75 105.19 103.12 2i9a n GLY 60 Ca 0.06 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.61 3.46 -1.88 1.61 5.02 -1.26 -4.67 118.16 118.83 2i9a n LYS 61 Ca 0.04 -2.96 -0.40 0.00 -2.02 0.00 0.00 58.31 52.97 2i9a n LYS 61 Cb 0.14 -1.98 0.01 0.00 -0.02 0.00 0.00 35.03 33.18 2i9a n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i9a s ALA 62 N -2.84 3.28 0.00 7.82 0.00 -1.26 -4.85 121.76 123.90 2i9a s ALA 62 Ca 0.46 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.83 2i9a s ALA 62 Cb 0.37 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.95 2i9a s ALA 62 CO 0.11 -1.06 0.83 -1.13 0.00 0.00 0.00 175.76 174.51 2i9a n SER 63 N -0.03 0.01 -4.12 0.00 3.41 -1.26 -0.74 113.62 110.89 2i9a n SER 63 Ca 0.04 -1.65 -0.10 0.00 -0.26 0.00 0.00 58.87 56.90 2i9a n SER 63 Cb 0.42 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 2i9a n SER 63 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2i9a s THR 64 N 0.00 0.51 0.75 6.66 -4.23 -1.26 -1.18 115.64 116.88 2i9a s THR 64 Ca 0.01 -1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 58.74 2i9a s THR 64 Cb 0.01 -1.38 0.16 0.00 1.34 0.00 0.00 72.50 72.64 2i9a s THR 64 CO -0.01 -0.81 1.02 -0.90 -0.54 0.00 0.00 174.62 173.38 2i9a n ASP 65 N 0.34 0.54 0.16 3.99 3.85 -0.21 -0.85 116.55 124.37 2i9a n ASP 65 Ca -0.15 -1.65 0.13 0.00 -0.71 0.00 0.00 54.79 52.41 2i9a n ASP 65 Cb 0.60 -0.73 0.55 0.00 -1.35 0.00 0.00 41.12 40.18 2i9a n ASP 65 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2i9a h THR 66 N -1.20 0.00 -0.69 2.12 1.35 -1.57 -0.27 112.91 112.64 2i9a h THR 66 Ca -0.33 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2i9a h THR 66 Cb 1.03 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2i9a h THR 66 CO 0.28 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.78 2i9a n MET 67 N -2.35 2.60 -1.05 4.72 2.81 -1.26 -4.94 117.12 117.65 2i9a n MET 67 Ca 0.01 -2.49 -0.02 0.00 -1.81 0.00 0.00 57.70 53.40 2i9a n MET 67 Cb 0.19 -1.54 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.60 0.50 3.76 3.03 0.00 -0.11 -5.03 105.19 108.94 2i9a n GLY 68 Ca 0.23 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.10 4.75 0.28 1.61 0.52 -1.26 -4.79 118.95 118.97 2i9a s ARG 69 Ca 0.00 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 56.42 2i9a s ARG 69 Cb 0.00 -3.15 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 2i9a s ARG 69 CO 0.00 0.41 1.43 -1.25 0.02 0.00 0.00 175.30 175.91 2i9a s PRO 70 N -1.43 4.26 0.56 3.54 0.04 -1.26 -1.04 135.00 139.66 2i9a s PRO 70 Ca 0.44 2.33 -0.21 0.00 0.04 0.00 0.00 61.00 63.59 2i9a s PRO 70 Cb -0.25 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 2i9a s PRO 70 CO 0.32 -0.40 1.30 0.00 0.04 0.00 0.00 177.00 178.25 2i9a s LEU 72 N -3.23 4.40 0.48 0.00 1.43 0.36 -4.86 118.68 117.26 2i9a s LEU 72 Ca 0.73 1.94 -0.24 0.00 -1.03 0.00 0.00 54.13 55.53 2i9a s LEU 72 Cb -0.42 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 41.82 2i9a s LEU 72 CO 0.48 -0.09 1.39 -2.84 0.23 0.00 0.00 176.35 175.52 2i9a s PRO 73 N -1.86 3.53 0.22 1.29 0.02 -1.26 -4.65 135.00 132.29 2i9a s PRO 73 Ca 0.49 2.32 0.23 0.00 0.02 0.00 0.00 61.00 64.05 2i9a s PRO 73 Cb -0.22 -2.53 0.93 0.00 0.02 0.00 0.00 34.50 32.70 2i9a s PRO 73 CO 0.28 -0.90 1.69 0.91 -0.33 0.00 0.00 177.00 178.65 2i9a n TRP 74 N -0.45 0.72 -0.37 6.54 7.02 -0.42 -1.68 117.44 128.80 2i9a n TRP 74 Ca 0.07 0.28 0.07 0.00 -1.02 0.00 0.00 57.50 56.89 2i9a n TRP 74 Cb 0.43 -0.94 0.19 0.00 -2.42 0.00 0.00 31.31 28.57 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 -2.15 3.28 -4.75 -0.99 6.94 -1.25 -1.47 115.26 114.86 2i9a n ASN 75 Ca 0.03 -2.22 -0.35 0.00 -0.02 0.00 0.00 54.58 52.01 2i9a n ASN 75 Cb 0.24 -0.33 0.04 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.17 5.11 0.26 0.53 1.04 -0.68 -4.85 113.70 113.94 2i9a s SER 76 Ca 0.30 2.32 -0.02 0.00 0.48 0.00 0.00 55.95 59.02 2i9a s SER 76 Cb 0.18 -2.59 0.51 0.00 0.10 0.00 0.00 66.02 64.22 2i9a s SER 76 CO 0.16 -1.64 1.74 0.00 0.98 0.00 0.00 173.24 174.48 2i9a h ALA 77 N 0.67 1.19 -0.23 5.32 0.00 -1.94 -0.33 119.26 123.93 2i9a h ALA 77 Ca -0.50 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2i9a h ALA 77 Cb 1.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2i9a h ALA 77 CO 0.54 -0.16 0.08 1.15 0.00 0.00 0.00 179.25 180.86 2i9a h THR 78 N 0.53 1.19 -0.20 0.00 2.02 -1.93 -3.03 112.91 111.49 2i9a h THR 78 Ca 0.45 -0.59 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 2i9a h THR 78 Cb 0.67 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2i9a h THR 78 CO -0.39 0.19 -0.37 0.58 0.37 0.00 0.00 175.52 175.90 2i9a h VAL 79 N 0.21 1.30 0.00 3.16 2.07 -1.70 -2.62 116.25 118.67 2i9a h VAL 79 Ca 0.08 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2i9a h VAL 79 Cb 0.23 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2i9a h VAL 79 CO -0.00 0.46 0.05 0.18 0.02 0.00 0.00 177.57 178.28 2i9a n LEU 80 N -4.05 0.19 -0.40 2.57 4.77 -0.17 -0.31 117.00 119.61 2i9a n LEU 80 Ca -0.01 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 2i9a n LEU 80 Cb 0.48 -0.57 0.17 0.00 -2.33 0.00 0.00 43.42 41.17 2i9a n LEU 80 CO 0.43 -0.62 0.47 0.00 -1.33 0.00 0.00 177.39 176.35 2i9a n GLN 81 N -1.74 1.08 -2.87 3.23 1.13 -0.99 -4.98 117.38 112.24 2i9a n GLN 81 Ca -0.00 -0.79 -0.21 0.00 -1.94 0.00 0.00 57.00 54.05 2i9a n GLN 81 Cb 0.06 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.01 2i9a n GLN 81 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2i9a s GLN 82 N -2.47 2.07 0.20 -1.09 -1.52 0.57 -5.03 119.66 112.40 2i9a s GLN 82 Ca 0.22 -1.45 -0.09 0.00 -1.95 0.00 0.00 55.36 52.09 2i9a s GLN 82 Cb 0.19 -2.53 0.12 0.00 -0.22 0.00 0.00 33.01 30.57 2i9a s GLN 82 CO 0.54 -1.07 1.73 1.15 -0.25 0.00 0.00 175.29 177.39 2i9a h THR 83 N -0.08 1.26 -3.52 -0.19 2.02 -1.94 -3.42 112.91 107.04 2i9a h THR 83 Ca -0.32 -0.91 -0.67 0.00 0.77 0.00 0.00 66.41 65.27 2i9a h THR 83 Cb 1.28 0.48 -0.31 0.00 -1.74 0.00 0.00 68.15 67.86 2i9a h THR 83 CO 0.40 0.36 -0.73 -0.31 0.37 0.00 0.00 175.52 175.62 2i9a s TYR 84 N -5.40 3.08 0.24 3.16 2.02 -1.26 -5.01 117.35 114.18 2i9a s TYR 84 Ca -0.12 -1.45 -0.14 0.00 -0.37 0.00 0.00 57.07 54.99 2i9a s TYR 84 Cb 0.15 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2i9a s TYR 84 CO 0.84 -0.70 0.50 -3.38 -1.57 0.00 0.00 175.55 171.24 2i9a s HIS 85 N 1.36 0.25 -1.52 2.71 -3.43 -1.26 -4.85 115.29 108.55 2i9a s HIS 85 Ca 0.01 -0.62 0.28 0.00 -0.80 0.00 0.00 55.06 53.93 2i9a s HIS 85 Cb -0.17 0.26 1.46 0.00 -1.43 0.00 0.00 32.58 32.70 2i9a s HIS 85 CO -0.03 -1.00 1.98 0.00 -2.00 0.00 0.00 174.74 173.68 2i9a n ALA 86 N -0.38 2.42 0.18 -1.38 0.00 -0.54 -2.88 120.51 117.92 2i9a n ALA 86 Ca -0.03 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2i9a n ALA 86 Cb 0.62 -1.46 0.19 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.24 0.46 -1.69 0.00 8.25 -1.26 -4.82 115.22 114.92 2i9a n HIS 87 Ca 0.15 -0.28 -0.35 0.00 -0.26 0.00 0.00 57.72 56.97 2i9a n HIS 87 Cb 0.20 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.37 2i9a n HIS 87 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2i9a s ARG 88 N -1.27 2.52 0.56 -0.41 0.52 -1.14 -4.91 118.95 114.81 2i9a s ARG 88 Ca 0.33 1.77 0.32 0.00 -0.52 0.00 0.00 55.73 57.63 2i9a s ARG 88 Cb 0.19 -1.88 1.63 0.00 0.52 0.00 0.00 34.95 35.41 2i9a s ARG 88 CO 0.26 -1.54 2.11 0.77 0.02 0.00 0.00 175.30 176.92 2i9a h SER 89 N 0.21 0.00 -0.50 0.23 0.02 -1.93 -2.16 113.55 109.43 2i9a h SER 89 Ca -0.49 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 2i9a h SER 89 Cb 1.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2i9a h SER 89 CO 0.52 0.07 0.08 -0.90 -1.14 0.00 0.00 176.83 175.46 2i9a n ASP 90 N -3.40 4.51 -0.29 3.07 5.68 -1.26 -4.70 116.55 120.16 2i9a n ASP 90 Ca -0.02 -3.14 -0.02 0.00 -0.50 0.00 0.00 54.79 51.12 2i9a n ASP 90 Cb 0.22 -0.65 0.10 0.00 -1.14 0.00 0.00 41.12 39.65 2i9a n ASP 90 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2i9a h ALA 91 N 2.53 1.05 -0.17 2.12 0.00 -1.68 -1.91 119.26 121.20 2i9a h ALA 91 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2i9a h ALA 91 Cb 1.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2i9a h ALA 91 CO 0.47 0.33 0.11 1.25 0.00 0.00 0.00 179.25 181.40 2i9a h LEU 92 N 1.00 0.20 -1.25 0.00 6.46 -1.84 0.00 115.31 119.87 2i9a h LEU 92 Ca 0.32 -0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.19 2i9a h LEU 92 Cb 0.01 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.82 2i9a h LEU 92 CO -0.11 0.15 0.58 -0.61 -0.62 0.00 0.00 178.44 177.83 2i9a h GLN 93 N 0.22 0.72 -0.01 1.25 5.75 -1.83 -2.12 115.11 119.09 2i9a h GLN 93 Ca 0.06 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2i9a h GLN 93 Cb -0.01 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.38 2i9a h GLN 93 CO -0.01 0.48 -0.39 1.28 -2.65 0.00 0.00 178.83 177.53 2i9a n LEU 94 N -4.56 1.12 -0.55 -2.39 4.77 -0.75 -4.95 117.00 109.69 2i9a n LEU 94 Ca 0.17 -0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 2i9a n LEU 94 Cb 0.43 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2i9a n LEU 94 CO 0.30 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.12 2i9a n GLY 95 N 1.39 0.47 3.55 -0.72 0.00 -0.48 -4.73 105.19 104.67 2i9a n GLY 95 Ca 0.10 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.47 4.42 0.00 0.99 1.43 -0.14 -5.01 118.68 118.90 2i9a s LEU 96 Ca 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2i9a s LEU 96 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.78 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 4.89 4.64 2.85 -3.19 0.00 -1.26 -4.43 105.19 108.68 2i9a n GLY 97 Ca -0.07 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 2.33 -3.78 1.61 5.02 -1.26 -3.79 118.16 118.28 2i9a n LYS 98 Ca 0.00 -2.23 -0.03 0.00 -2.02 0.00 0.00 58.31 54.02 2i9a n LYS 98 Cb 0.00 -3.08 -0.00 0.00 -0.02 0.00 0.00 35.03 31.92 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 3.87 -0.06 -0.26 2.13 -3.43 -1.26 -5.03 115.29 111.24 2i9a s HIS 99 Ca 0.52 -0.27 0.11 0.00 -0.80 0.00 0.00 55.06 54.62 2i9a s HIS 99 Cb 0.14 0.66 0.46 0.00 -1.43 0.00 0.00 32.58 32.41 2i9a s HIS 99 CO -0.00 -0.84 1.18 0.27 -2.00 0.00 0.00 174.74 173.34 2i9a n ASN 100 N -0.70 3.69 -4.78 7.38 6.94 -1.26 -1.30 115.26 125.23 2i9a n ASN 100 Ca -0.05 -3.47 -0.38 0.00 -0.02 0.00 0.00 54.58 50.65 2i9a n ASN 100 Cb 0.60 -0.39 -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 -3.41 3.84 0.51 -2.53 2.02 -1.26 -4.48 117.35 112.04 2i9a s TYR 101 Ca 0.44 1.69 -0.23 0.00 -0.37 0.00 0.00 57.07 58.61 2i9a s TYR 101 Cb 0.39 -2.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.06 2i9a s TYR 101 CO -0.00 0.41 1.35 0.00 -1.57 0.00 0.00 175.55 175.74 2i9a s ARG 103 N -2.76 1.87 -0.42 0.00 1.81 -0.58 -4.81 118.95 114.06 2i9a s ARG 103 Ca 0.68 -1.86 0.09 0.00 -1.72 0.00 0.00 55.73 52.91 2i9a s ARG 103 Cb -0.40 0.40 0.30 0.00 -0.45 0.00 0.00 34.95 34.80 2i9a s ARG 103 CO 0.49 -0.75 0.79 -1.71 -0.68 0.00 0.00 175.30 173.44 2i9a n ASN 104 N -1.48 -0.73 0.27 0.23 5.15 -1.26 -0.52 115.26 116.92 2i9a n ASN 104 Ca 0.03 -3.14 0.18 0.00 -0.60 0.00 0.00 54.58 51.05 2i9a n ASN 104 Cb 0.62 0.40 0.73 0.00 -0.53 0.00 0.00 39.78 41.00 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 3.44 0.00 -0.32 1.20 0.13 -1.85 -3.02 132.00 131.58 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 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2i9a h PRO 105 CO 0.38 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.75 2i9a n ASP 106 N -3.03 3.70 -3.63 1.44 5.75 -1.26 -4.99 116.55 114.53 2i9a n ASP 106 Ca 0.00 -2.67 -0.22 0.00 -0.01 0.00 0.00 54.79 51.89 2i9a n ASP 106 Cb 0.27 -0.45 0.06 0.00 -1.03 0.00 0.00 41.12 39.97 2i9a n ASP 106 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2i9a n ASN 107 N -0.07 -3.12 -3.46 -1.12 3.02 -1.14 -5.02 115.26 104.35 2i9a n ASN 107 Ca 0.19 -0.69 -0.31 0.00 -0.03 0.00 0.00 54.58 53.74 2i9a n ASN 107 Cb 0.76 -4.58 0.27 0.00 -0.61 0.00 0.00 39.78 35.62 2i9a n ASN 107 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2i9a s ARG 108 N -5.95 -2.30 0.56 3.52 1.81 -1.26 -4.93 118.95 110.40 2i9a s ARG 108 Ca 0.23 -0.10 0.34 0.00 -1.72 0.00 0.00 55.73 54.48 2i9a s ARG 108 Cb -0.11 -1.47 1.54 0.00 -0.45 0.00 0.00 34.95 34.46 2i9a s ARG 108 CO 0.77 -4.41 2.05 0.07 -0.68 0.00 0.00 175.30 173.11 2i9a h ARG 109 N -3.08 0.00 -2.79 3.54 0.11 -1.96 -3.47 114.38 106.74 2i9a h ARG 109 Ca -0.42 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.75 2i9a h ARG 109 Cb 1.31 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.31 2i9a h ARG 109 CO 0.27 0.04 0.31 -0.98 0.10 0.00 0.00 179.97 179.70 2i9a s ARG 110 N -3.82 1.47 0.68 0.08 1.70 -1.23 -4.51 118.95 113.32 2i9a s ARG 110 Ca -0.01 -0.76 -0.16 0.00 -0.47 0.00 0.00 55.73 54.33 2i9a s ARG 110 Cb 0.10 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 35.04 2i9a s ARG 110 CO 0.53 -0.67 1.21 -2.14 -1.08 0.00 0.00 175.30 173.16 2i9a s PRO 111 N -3.67 2.43 0.34 3.89 0.02 -1.25 -4.85 135.00 131.91 2i9a s PRO 111 Ca 0.09 1.80 -0.02 0.00 0.02 0.00 0.00 61.00 62.88 2i9a s PRO 111 Cb -0.04 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2i9a s PRO 111 CO 0.01 -1.62 0.46 1.67 -0.33 0.00 0.00 177.00 177.19 2i9a s TRP 112 N -1.83 1.06 0.23 6.54 1.48 0.32 -1.51 118.94 125.24 2i9a s TRP 112 Ca 0.76 -1.29 -0.16 0.00 -1.06 0.00 0.00 56.10 54.35 2i9a s TRP 112 Cb -0.30 -0.10 0.01 0.00 -1.16 0.00 0.00 33.47 31.92 2i9a s TRP 112 CO 0.41 -1.12 0.53 0.00 -4.06 0.00 0.00 176.95 172.72 2i9a s TYR 114 N -3.94 3.76 -0.00 0.00 2.02 -1.26 -0.87 117.35 117.06 2i9a s TYR 114 Ca 0.15 1.77 0.04 0.00 -0.37 0.00 0.00 57.07 58.66 2i9a s TYR 114 Cb -0.02 -3.14 -0.01 0.00 -0.40 0.00 0.00 41.96 38.39 2i9a s TYR 114 CO 0.04 -0.10 -0.13 0.08 -1.57 0.00 0.00 175.55 173.87 2i9a s VAL 115 N -0.83 1.01 -0.04 0.71 1.01 -0.05 -0.49 120.40 121.73 2i9a s VAL 115 Ca 0.45 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2i9a s VAL 115 Cb -0.28 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2i9a s VAL 115 CO 0.35 0.25 1.57 -1.58 0.00 0.00 0.00 175.10 175.69 2i9a s GLN 116 N -0.38 4.21 -0.30 2.72 2.00 -1.26 -0.45 119.66 126.20 2i9a s GLN 116 Ca 0.05 2.12 -0.01 0.00 -2.00 0.00 0.00 55.36 55.51 2i9a s GLN 116 Cb -0.05 -3.83 0.10 0.00 0.80 0.00 0.00 33.01 30.02 2i9a s GLN 116 CO -0.00 -0.77 0.09 0.08 -0.50 0.00 0.00 175.29 174.19 2i9a s VAL 117 N 3.49 0.83 0.00 1.34 1.01 -0.36 -4.94 120.40 121.77 2i9a s VAL 117 Ca 0.70 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2i9a s VAL 117 Cb -0.33 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2i9a s VAL 117 CO 0.28 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.35 2i9a n GLY 118 N 4.87 3.48 0.82 4.51 0.00 -1.26 -2.96 105.19 114.65 2i9a n GLY 118 Ca -0.03 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2i9a n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i9a n LEU 119 N 0.00 2.46 -4.06 0.99 4.77 -1.26 -4.90 117.00 115.00 2i9a n LEU 119 Ca 0.00 -1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 54.82 2i9a n LEU 119 Cb 0.00 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 2i9a n LEU 119 CO 0.00 0.52 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.64 2i9a s LYS 120 N -1.68 0.52 0.32 3.23 1.02 -1.15 -5.14 119.74 116.85 2i9a s LYS 120 Ca 0.35 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 2i9a s LYS 120 Cb 0.20 -0.26 -0.10 0.00 -0.52 0.00 0.00 37.83 37.15 2i9a s LYS 120 CO 0.29 0.04 0.97 -1.25 -0.92 0.00 0.00 175.35 174.47 2i9a s PRO 121 N -1.63 4.59 -0.02 -1.68 0.04 -1.26 -1.22 135.00 133.82 2i9a s PRO 121 Ca -0.10 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.39 2i9a s PRO 121 Cb -0.10 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 2i9a s PRO 121 CO 0.00 0.27 -0.13 -0.51 0.04 0.00 0.00 177.00 176.66 2i9a s LEU 122 N -1.94 1.98 0.07 -3.56 1.02 0.41 -4.89 118.68 111.78 2i9a s LEU 122 Ca 0.49 -0.25 -0.31 0.00 0.02 0.00 0.00 54.13 54.08 2i9a s LEU 122 Cb -0.21 -0.71 -0.08 0.00 0.02 0.00 0.00 46.19 45.21 2i9a s LEU 122 CO 0.27 0.15 1.57 -0.69 0.02 0.00 0.00 176.35 177.67 2i9a s VAL 123 N -0.20 3.12 0.05 -1.59 1.01 -1.26 -0.87 120.40 120.65 2i9a s VAL 123 Ca 0.03 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2i9a s VAL 123 Cb -0.07 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2i9a s VAL 123 CO -0.00 0.01 -0.13 -1.10 0.00 0.00 0.00 175.10 173.87 2i9a s GLN 124 N 2.24 0.87 0.25 2.72 -1.52 -0.04 -4.93 119.66 119.24 2i9a s GLN 124 Ca 0.71 -0.79 -0.31 0.00 -1.95 0.00 0.00 55.36 53.02 2i9a s GLN 124 Cb -0.39 -0.86 -0.11 0.00 -0.22 0.00 0.00 33.01 31.43 2i9a s GLN 124 CO 0.31 0.21 1.62 -2.00 -0.25 0.00 0.00 175.29 175.17 2i9a s GLU 125 N -1.27 4.14 0.42 2.91 2.12 -1.26 -1.45 118.70 124.31 2i9a s GLU 125 Ca 0.00 2.54 -0.23 0.00 0.36 0.00 0.00 54.97 57.65 2i9a s GLU 125 Cb -0.08 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 2i9a s GLU 125 CO 0.01 -0.65 1.02 0.00 -0.54 0.00 0.00 175.26 175.11 2i9a n MET 127 N -0.33 2.88 -3.76 0.00 1.56 -0.03 -4.57 117.12 112.86 2i9a n MET 127 Ca 0.06 -3.01 -0.13 0.00 -0.27 0.00 0.00 57.70 54.35 2i9a n MET 127 Cb 0.51 -3.47 -0.09 0.00 2.15 0.00 0.00 33.22 32.31 2i9a n MET 127 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2i9a s VAL 128 N 4.95 0.04 0.25 1.12 0.11 -1.26 -4.82 120.40 120.79 2i9a s VAL 128 Ca 0.55 -0.34 0.08 0.00 -2.93 0.00 0.00 61.98 59.34 2i9a s VAL 128 Cb 0.05 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2i9a s VAL 128 CO 0.06 -0.19 0.07 -1.00 -3.33 0.00 0.00 175.10 170.72 2i9a s HIS 129 N -0.87 2.87 0.10 1.54 0.09 -1.26 -4.93 115.29 112.83 2i9a s HIS 129 Ca -0.09 -0.17 -0.31 0.00 -0.00 0.00 0.00 55.06 54.49 2i9a s HIS 129 Cb -0.04 -1.29 -0.08 0.00 -0.00 0.00 0.00 32.58 31.17 2i9a s HIS 129 CO 0.03 0.57 1.46 0.34 -0.00 0.00 0.00 174.74 177.14 2i9a s ASP 130 N -3.68 6.76 0.48 1.40 3.68 -1.26 -1.61 116.67 122.44 2i9a s ASP 130 Ca 0.32 2.36 0.26 0.00 2.13 0.00 0.00 52.55 57.62 2i9a s ASP 130 Cb -0.07 -2.58 1.32 0.00 -1.45 0.00 0.00 42.92 40.14 2i9a s ASP 130 CO 0.22 -0.72 1.83 0.00 0.13 0.00 0.00 175.17 176.63 2i9a n ALA 132 N -2.62 2.00 -0.45 0.00 0.00 -1.26 -5.07 120.51 113.10 2i9a n ALA 132 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2i9a n ALA 132 Cb 0.95 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2i9a n ALA 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25